A0A090N7S4_HUMAN Loading...

Similar to Mtr3 (MRNA transport regulator 3)-homolog Mtr3 (MRNA transport regulator 3)-homolog (Yeast)

AlphaFold DB , UniProt , Accession A0A090N7S4, Species HUMAN (Homo sapiens, Human), Gene LOC392145, Length 174 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
1M35.7Very low35.8Very low230 Ų230165.2 Ų165.2100%1.13386%0.862SS**  0114.80-83.5146.981.500106.7
2R34.8Very low35.6Very low232 Ų232166.6 Ų166.688%0.87587%0.869SS**  cis-151.4148.1-0.5-76.3177.2-169.2-125.80.5105.9
3Q37.5Very low35.1Very low189 Ų189164.8 Ų164.888%0.88385%0.854SS**  trans-60152.9162.2-69162.5-31.200111.1
4S35.3Very low34.7Very low119 Ų119167.4 Ų167.483%0.83285%0.847SS**  -177.2103.6129.252.70000110.9
5D38.1Very low34.5Very low154 Ų154161.1 Ų161.182%0.82482%0.822SS**  trans-59.3151.7151.4-60.5-51.6000110.5
6S36.9Very low34.5Very low115 Ų115156.2 Ų156.280%0.80481%0.807SS**  trans-178.7108.8130.158.50000111.4
7E37.2Very low34.8Very low182 Ų182156.3 Ų156.385%0.8581%0.808SS**  trans-48144.4154.7-79.8148.697.400113.3
8T36.6Very low34.5Very low139 Ų139155.4 Ų155.485%0.85381%0.805SS**  trans-153.983.5139.3-22.10000110.4G10T8-G10 PolarHBondContact O-N 2.93Å
9R36.3Very low34.4Very low233 Ų233152.1 Ų152.188%0.87979%0.792SS**  trans-83.796.5155.8-84.8179159.1172.6-5.9106.8L11R9-L11 VanDerWaalsContact C-N 3.28Å; R9-L11 PolarHBondContact O-N 3.47Å
10G30.2Very low34.7Very low73 Ų73151.9 Ų151.975%0.75380%0.797SS**  trans-7083.817300000110.9T8 L12T8-G10 PolarHBondContact O-N 2.93Å; G10-L12 PolarHBondContact O-N 3.4Å
11L35Very low34.8Very low151 Ų151149 Ų14979%0.79179%0.786SS**  trans-70.2112.4165.3-79.1149000108.2R9 H13R9-L11 VanDerWaalsContact C-N 3.28Å; R9-L11 PolarHBondContact O-N 3.47Å; L11-H13 PolarHBondContact O-N 2.91Å
12L33.8Very low34.9Very low182 Ų182145.1 Ų145.195%0.95377%0.77SS**  trans-71.876.9159.8-69.3169.1000107.7G10G10-L12 PolarHBondContact O-N 3.4Å
13H28.4Very low34.8Very low144 Ų144145.2 Ų145.267%0.66777%0.77SS**  trans-78.2113.9166.1138.4-74.4000106.9L11L11-H13 PolarHBondContact O-N 2.91Å
14W29.6Very low34.4Very low201 Ų201141.1 Ų141.176%0.76176%0.762SS**PPolyproline II helixtrans-74.1131.8162.7-171.8-100000107.5S16W14-S16 PolarHBondContact O-N 3.49Å
15P31.9Very low34.4Very low73 Ų73140.3 Ų140.347%0.47476%0.757SS.*PPolyproline II helixtrans-66.7137.8-179.81.610000110.5
16S34.7Very low34.1Very low82 Ų82142.4 Ų142.457%0.57376%0.762SS**PPolyproline II helixtrans-56.3149.6172.2-167.90000111.4W14 D18W14-S16 PolarHBondContact O-N 3.49Å; S16-D18 PolarHBondContact O-N 3.45Å; S16-D18 PolarHBondContact OG-OD2 2.81Å
17L39.8Very low34Very low158 Ų158140.1 Ų140.183%0.82776%0.757SS**THydrogen-bonded Turntrans-59.79.8-174.7-103.1117.6000116.5
18D28.4Very low33.8Very low141 Ų141141 Ų14175%0.75476%0.761SS**THydrogen-bonded Turntrans-100.38.8-171.3-58.3-48.1000114.3S16S16-D18 PolarHBondContact O-N 3.45Å; S16-D18 PolarHBondContact OG-OD2 2.81Å
19T34.1Very low33.6Very low92 Ų92137.2 Ų137.256%0.56475%0.749SS**  trans-111.953.5-171.2-24.90000113.4T21T19-T21 HydrophobicContact CG2-CG2 4.23Å; T19-T21 WeakPolarHBondContact CG2-OG1 3.41Å; T19-T21 PolarHBondContact O-N 2.79Å
20V39.7Very low33.2Very low147 Ų147132.4 Ų132.489%0.89175%0.748SS**  trans-71.285.8154.3174.90000106.8
21T36.8Very low33.9Very low93 Ų93135.3 Ų135.357%0.57175%0.751SS**  trans-107.3112.6170.430.60000109.6T19 R23T19-T21 HydrophobicContact CG2-CG2 4.23Å; T19-T21 WeakPolarHBondContact CG2-OG1 3.41Å; T19-T21 PolarHBondContact O-N 2.79Å; T21-R23 PolarHBondContact O-N 3.23Å; T21-R23 VanDerWaalsContact O-N 3.15Å
22N38.7Very low33.9Very low148 Ų148135.9 Ų135.979%0.79175%0.75SS**  trans-28.6110152.9-177.64.3000111.7
23R31.3Very low34.1Very low233 Ų233132.2 Ų132.288%0.87974%0.735SS**  trans-123.587.3166.8-111-167.6-80.5-145.3-1.3109.3T21T21-R23 PolarHBondContact O-N 3.23Å; T21-R23 VanDerWaalsContact O-N 3.15Å
24S30.1Very low34.5Very low103 Ų103131 Ų13172%0.7273%0.733SS**  trans-79.9140.6142.6-550000106
25S35.1Very low35Very low102 Ų102132.2 Ų132.271%0.71374%0.738SS**  cis-168.6146.722.848.20000107.8
26E32.4Very low35.6Very low198 Ų198135.7 Ų135.793%0.92575%0.752SS**SBend178.6112.4126.7-98.1172.814900110.1
27G34Very low35.6Very low68 Ų68136.4 Ų136.470%0.70176%0.756SS**SBendtrans10851.6148.400000120
28Q32.1Very low35.5Very low200 Ų200133.4 Ų133.494%0.93575%0.749SS**  trans-164139.8140.7-129.3104.41900108.7
29G32.4Very low35.8Very low59 Ų59132.5 Ų132.561%0.60874%0.742SS**  trans-59.5172-164.600000116.3V31G29-V31 PolarHBondContact O-N 3.11Å
30P29.3Very low35.8Very low132 Ų132131.9 Ų131.986%0.85774%0.739SS**  trans-69.7100.3-175.529.6-31.7000109.4E32P30-E32 PolarHBondContact O-N 2.9Å
31V44Very low35.7Very low134 Ų134131.4 Ų131.481%0.81274%0.739SS**  trans-72.395.3154.41740000105G29 T33G29-V31 PolarHBondContact O-N 3.11Å; V31-T33 PolarHBondContact O-N 2.97Å
32E34.8Very low36Very low163 Ų163131.8 Ų131.876%0.76274%0.741SS**  trans-49.7109.1179.5-156.5172.2-162.600109P30 N34P30-E32 PolarHBondContact O-N 2.9Å; E32-N34 PolarHBondContact O-N 3.13Å
33T39.3Very low36.2Very low105 Ų105130.8 Ų130.864%0.64474%0.735SS**  trans-70.962.8179.9-32.40000109.4V31 R35 L36V31-T33 PolarHBondContact O-N 2.97Å; T33-R35 PolarHBondContact O-N 3.3Å; T33-L36 HydrophobicContact CG2-CD1 3.64Å
34N34.9Very low37.2Very low118 Ų118125.5 Ų125.563%0.63172%0.718SS**THydrogen-bonded Turntrans-81.928.9-176.6-158.211.7000112.8E32E32-N34 PolarHBondContact O-N 3.13Å
35R41.3Very low38.5Very low228 Ų228126.4 Ų126.486%0.8671%0.706SS**THydrogen-bonded Turntrans-107.910.8166.8-67.3-159.7-166.9-161.57.9113T33T33-R35 PolarHBondContact O-N 3.3Å
36L44.6Very low40.3Very low146 Ų146122.2 Ų122.276%0.76468%0.68SS**SBendtrans-83-7.4172.6-89.6118000114T33T33-L36 HydrophobicContact CG2-CD1 3.64Å
37S34.9Very low42.7Very low96 Ų96113 Ų11367%0.67164%0.636SS**SBendtrans-101.6-0.5-168.8590000116.4
38S36.5Very low45.2Very low96 Ų96112.9 Ų112.967%0.67162%0.619SS**SBendtrans-118.411.4-174.966.80000116.4
39M36.3Very low47.7Very low122 Ų122103.8 Ų103.860%0.60158%0.578SS**  trans-100.7126.9-178.5-69.8-93.8162.300111.3K44M39-K44 HydrophobicContact SD-CD 3.51Å; M39-K44 VanDerWaalsContact SD-CD 3.51Å; M39-K44 VanDerWaalsContact SD-CE 3.53Å; M39-K44 PolarHBondContact SD-NZ 3.4Å
40P32.7Very low50.2Low78 Ų78103.1 Ų103.151%0.50656%0.56SS.*  trans-63.4154.7175.725.9-32.9000111.6T42P40-T42 PolarHBondContact O-N 2.82Å
41P38.2Very low52.7Low137 Ų13797.9 Ų97.989%0.8952%0.524SS*.SBendtrans-83.744.9-164.937.4-37.4000112.9
42T43.1Very low54.6Low101 Ų10199 Ų9962%0.6251%0.514SS*.SBendtrans-105.8114.8160.152.30000105.6P40 K44P40-T42 PolarHBondContact O-N 2.82Å; T42-K44 PolarHBondContact O-N 3.49Å
43L43.3Very low56.7Low127 Ų12795.9 Ų95.967%0.66550%0.499SS*.  trans-50.198.8-179.6-162.885.5000108.9R45 H83L43-R45 PolarHBondContact O-N 3.48Å; L43-H83 HydrophobicContact CD2-CB 4.08Å; L43-H83 WeakPolarHBondContact CD2-ND1 3.35Å
44K50.8Low58.6Low122 Ų12291.8 Ų91.853%0.5348%0.476SS..  trans-72.2104.4-173.2-80-174.1-179.3-174.20107.5M39 T42 G46M39-K44 HydrophobicContact SD-CD 3.51Å; M39-K44 VanDerWaalsContact SD-CD 3.51Å; M39-K44 VanDerWaalsContact SD-CE 3.53Å; M39-K44 PolarHBondContact SD-NZ 3.4Å; T42-K44 PolarHBondContact O-N 3.49Å; K44-G46 PolarHBondContact O-N 2.87Å
45R57.9Low59.9Low122 Ų12292.7 Ų92.746%0.4649%0.488SS..  trans-48.3125.3152.5-59.8-176.7-177.6-159.12.4106.3L43 D79L43-R45 PolarHBondContact O-N 3.48Å; R45-D79 IonicContact NH1-OD1 3.81Å; R45-D79 PolarHBondContact NH1-OD1 3.36Å
46G72.4Confident60.6Low15 Ų1587.4 Ų87.416%0.15548%0.482CS..EExtended strand (participates in β ladder)trans-163.9131.1-171.400000112.4K44 L86K44-G46 PolarHBondContact O-N 2.87Å; G46-L86 PolarHBondContact O-N 3.4Å
47L83.9Confident60.7Low3 Ų385 Ų852%0.01649%0.491CS..EExtended strand (participates in β ladder)trans-81.7127.7156.3176.865.2000106.7Q69 L72 E73 L86L47-Q69 HydrophobicContact CB-CG 4.39Å; L47-Q69 VanDerWaalsContact O-CG 3.31Å; L47-Q69 WeakPolarHBondContact O-CG 3.47Å; L47-Q69 PolarHBondContact O-NE2 3.08Å; L47-Q69 VanDerWaalsContact O-NE2 3.11Å; L47-Q69 PolarHBondContact O-OE1 3.14Å; L47-L72 HydrophobicContact CD2-CB 3.49Å; L47-L72 VanDerWaalsContact CD2-CB 3.49Å; L47-L72 HydrophobicContact CD2-CD1 4.24Å; L47-E73 HydrophobicContact CB-CG 4.45Å; L47-L86 CarbonylContact C-O 3.37Å; L47-L86 WeakPolarHBondContact CA-O 3.25Å; L47-L86 HydrophobicContact CD1-CB 3.88Å
48L86.8Confident60.9Low66 Ų6683.5 Ų83.535%0.34649%0.491SS..EExtended strand (participates in β ladder)trans-105.5123.6168.9178.966.2000107.1Q85 L86 E87 A88L48-Q85 HydrophobicContact CB-CG 4.49Å; L48-L86 PolarHBondContact N-O 3.18Å; L48-E87 HydrophobicContact CD2-CG 4.22Å; L48-E87 HydrophobicContact CG-CG 4.48Å; L48-E87 CarbonylContact O-C 3.59Å; L48-E87 VanDerWaalsContact O-CA 3.3Å; L48-E87 WeakPolarHBondContact O-CA 2.73Å; L48-A88 PolarHBondContact O-N 2.73Å
49C83.9Confident61.2Low10 Ų1082.5 Ų82.57%0.06850%0.496CS..EExtended strand (participates in β ladder)trans-106131.2171-62.70000108.4L68 Q69 A88C49-L68 HydrophobicContact CB-CB 4.19Å; C49-Q69 HydrophobicContact CB-CB 4.23Å; C49-Q69 VanDerWaalsContact SG-CA 3.6Å; C49-A88 CarbonylContact C-O 3.57Å; C49-A88 WeakPolarHBondContact CA-O 3.33Å
50D84.9Confident61.6Low44 Ų4486.1 Ų86.124%0.23551%0.512CS..EExtended strand (participates in β ladder)trans-116.8130.4169.4-178.747000108.2R52 A88 S89 E90D50-R52 IonicContact OD1-NE 2.79Å; D50-R52 IonicContact OD2-CZ 3.09Å; D50-R52 IonicContact OD2-NE 3.61Å; D50-R52 PolarHBondContact OD2-NE 3.31Å; D50-R52 IonicContact OD2-NH2 3.23Å; D50-R52 PolarHBondContact OD2-NH2 3.03Å; D50-A88 PolarHBondContact N-O 2.8Å; D50-S89 VanDerWaalsContact O-CA 3.27Å; D50-S89 WeakPolarHBondContact O-CA 3.28Å; D50-E90 PolarHBondContact O-N 3.25Å
51F82.6Confident62.4Low23 Ų2390 Ų9010%0.10152%0.523CS..EExtended strand (participates in β ladder)trans-134.8132.7-174.8171.8-100.5000110.3H53 P64 A65 E90 L92 E103F51-H53 AromaticContact CE1-CD2 3.06Å; F51-H53 WeakPolarHBondContact CE1-CD2 3.14Å; F51-H53 AromaticContact CE1-NE2 2.95Å; F51-H53 WeakPolarHBondContact CE1-NE2 3.36Å; F51-H53 AromaticContact CZ-CD2 3.24Å; F51-H53 WeakPolarHBondContact CZ-CD2 3.23Å; F51-H53 AromaticContact CZ-CE1 3.92Å; F51-H53 AromaticContact CZ-NE2 3.11Å; F51-H53 WeakPolarHBondContact CZ-NE2 3.5Å; F51-P64 HydrophobicContact CD1-CB 3.81Å; F51-P64 HydrophobicContact CD1-CG 3.25Å; F51-P64 HydrophobicContact CE1-CB 4Å; F51-P64 HydrophobicContact CE1-CG 3.57Å; F51-P64 HydrophobicContact CG-CB 4.5Å; F51-P64 HydrophobicContact CG-CG 4.25Å; F51-A65 HydrophobicContact CB-CB 4.41Å; F51-E90 HydrophobicContact CD2-CB 4.15Å; F51-L92 HydrophobicContact CE2-CB 3.91Å; F51-L92 HydrophobicContact CZ-CB 3.97Å; F51-L92 HydrophobicContact CZ-CD2 4.45Å; F51-E103 HydrophobicContact CD2-CG 4.12Å; F51-E103 HydrophobicContact CE2-CG 3.46Å; F51-E103 VanDerWaalsContact CE2-CG 3.46Å; F51-E103 WeakPolarHBondContact CE2-OE1 3.34Å; F51-E103 HydrophobicContact CZ-CG 3.91Å; F51-E103 WeakPolarHBondContact CZ-OE1 3.23Å; F51-E103 WeakPolarHBondContact CZ-OE2 3.42Å
52R83.1Confident62.9Low156 Ų15689.1 Ų89.159%0.58952%0.517SS*.EExtended strand (participates in β ladder)trans-134.9142.1-175.9-54.4-174.6-160-137.73.9109.8D50 E90 L91 L92D50-R52 IonicContact OD1-NE 2.79Å; D50-R52 IonicContact OD2-CZ 3.09Å; D50-R52 IonicContact OD2-NE 3.61Å; D50-R52 PolarHBondContact OD2-NE 3.31Å; D50-R52 IonicContact OD2-NH2 3.23Å; D50-R52 PolarHBondContact OD2-NH2 3.03Å; R52-E90 PolarHBondContact N-O 3.41Å; R52-L91 HydrophobicContact CB-CD1 3.97Å; R52-L91 CarbonylContact O-C 3.57Å; R52-L91 VanDerWaalsContact O-CA 3.28Å; R52-L91 WeakPolarHBondContact O-CA 3.44Å; R52-L92 PolarHBondContact O-N 3.32Å
53H79.1Confident63.8Low98 Ų9891.6 Ų91.645%0.45452%0.522SS..EExtended strand (participates in β ladder)trans-94.1142.9164.4-71.4-123.3000109.2F51F51-H53 AromaticContact CE1-CD2 3.06Å; F51-H53 WeakPolarHBondContact CE1-CD2 3.14Å; F51-H53 AromaticContact CE1-NE2 2.95Å; F51-H53 WeakPolarHBondContact CE1-NE2 3.36Å; F51-H53 AromaticContact CZ-CD2 3.24Å; F51-H53 WeakPolarHBondContact CZ-CD2 3.23Å; F51-H53 AromaticContact CZ-CE1 3.92Å; F51-H53 AromaticContact CZ-NE2 3.11Å; F51-H53 WeakPolarHBondContact CZ-NE2 3.5Å
54A78.6Confident65.1Low19 Ų1986.4 Ų86.416%0.15750%0.496CS..  trans-57.5139167.400000109.5T56 L91 L92 L93A54-T56 PolarHBondContact O-N 3.42Å; A54-T56 PolarHBondContact O-OG1 3.04Å; A54-L91 HydrophobicContact CB-CD1 4.41Å; A54-L92 WeakPolarHBondContact CB-O 3.43Å; A54-L92 PolarHBondContact N-O 2.92Å; A54-L93 HydrophobicContact CB-CD2 4.49Å
55P62.8Low66.6Low138 Ų13881.8 Ų81.890%0.89648%0.48SS*.  trans-65.594.5-173.924.4-32.3000110.6
56T55.5Low67.9Low117 Ų11781.7 Ų81.772%0.71849%0.486SS*.SBendtrans-121.551.1177.6-32.60000108.5A54 G58A54-T56 PolarHBondContact O-N 3.42Å; A54-T56 PolarHBondContact O-OG1 3.04Å; T56-G58 PolarHBondContact O-N 2.78Å
57G46.7Very low68.6Low94 Ų9482 Ų8297%0.96949%0.485SS*.SBendtrans60.311.6169.300000118.3
58G40.8Very low68.9Low65 Ų6581.9 Ų81.967%0.6748%0.484SS*.  trans-121.5140.2177.800000111.2T56T56-G58 PolarHBondContact O-N 2.78Å
59G41.3Very low69.1Low75 Ų7581.2 Ų81.277%0.77348%0.48SS*.  trans-62.4156.1-17000000114.8E61G59-E61 PolarHBondContact O-N 2.76Å; G59-E61 VanDerWaalsContact O-N 3.17Å
60E45.2Very low69.4Low199 Ų19984.2 Ų84.293%0.9349%0.493SS*.  trans-59.1112.7169.5-59.6179.5122.200108.9P62E60-P62 WeakPolarHBondContact O-CD 3.36Å
61E50Low69.8Low160 Ų16082.1 Ų82.175%0.74848%0.481SS*.  trans-84.9116.7162.5-78.3-165156.400108.2G59 E63 P64G59-E61 PolarHBondContact O-N 2.76Å; G59-E61 VanDerWaalsContact O-N 3.17Å; E61-E63 VanDerWaalsContact C-N 3.3Å; E61-E63 PolarHBondContact O-N 3.13Å; E61-P64 WeakPolarHBondContact O-CD 3.36Å
62P48.9Very low70.3Confident117 Ų11781 Ų8176%0.7648%0.477SS*.SBendtrans-83.38.9-172.331.7-34.9000115E60E60-P62 WeakPolarHBondContact O-CD 3.36Å
63E62.4Low70.7Confident154 Ų15476.9 Ų76.972%0.7246%0.464SS*.SBendtrans-95.5-20.9-176-60.6-162.8158.800118.5E61 A65 V67E61-E63 VanDerWaalsContact C-N 3.3Å; E61-E63 PolarHBondContact O-N 3.13Å; E63-A65 PolarHBondContact O-N 2.96Å; E63-V67 WeakPolarHBondContact O-CG2 3.39Å
64P69.9Low71.3Confident18 Ų1874.9 Ų74.912%0.11746%0.46CS..Hα-helixtrans-71.9-35.1-171.427.8-34.7000113.4F51 E61 M66 V67 L68 L100F51-P64 HydrophobicContact CD1-CB 3.81Å; F51-P64 HydrophobicContact CD1-CG 3.25Å; F51-P64 HydrophobicContact CE1-CB 4Å; F51-P64 HydrophobicContact CE1-CG 3.57Å; F51-P64 HydrophobicContact CG-CB 4.5Å; F51-P64 HydrophobicContact CG-CG 4.25Å; E61-P64 WeakPolarHBondContact O-CD 3.36Å; P64-M66 VanDerWaalsContact C-N 3.33Å; P64-M66 PolarHBondContact O-N 3.48Å; P64-V67 WeakPolarHBondContact O-CB 3.47Å; P64-V67 PolarHBondContact O-N 3.09Å; P64-V67 VanDerWaalsContact O-N 3.13Å; P64-L68 WeakPolarHBondContact O-CD1 3.27Å; P64-L68 PolarHBondContact O-N 2.84Å; P64-L100 HydrophobicContact CB-CD1 4.22Å
65A81.7Confident72Confident25 Ų2574 Ų7421%0.20745%0.452CS..Hα-helixtrans-61.3-39.5-177.300000113.1F51 E63 Q69F51-A65 HydrophobicContact CB-CB 4.41Å; E63-A65 PolarHBondContact O-N 2.96Å; A65-Q69 WeakPolarHBondContact O-CB 3.33Å; A65-Q69 PolarHBondContact O-N 2.8Å
66M84.9Confident73.4Confident119 Ų11967.8 Ų67.859%0.58641%0.411SS*.Hα-helixtrans-66-43.6175.7-73.1-176.359.200111P64 L68 Q69 E70P64-M66 VanDerWaalsContact C-N 3.33Å; P64-M66 PolarHBondContact O-N 3.48Å; M66-L68 VanDerWaalsContact C-N 3.35Å; M66-L68 PolarHBondContact O-N 3.49Å; M66-Q69 PolarHBondContact O-N 2.89Å; M66-E70 WeakPolarHBondContact O-CB 3.47Å; M66-E70 VanDerWaalsContact O-CG 3.3Å; M66-E70 WeakPolarHBondContact O-CG 3.44Å; M66-E70 PolarHBondContact O-N 3.3Å
67V88.6Confident75.1Confident21 Ų2163 Ų6313%0.12738%0.383CS..Hα-helixtrans-61.2-44.2178.2173.90000111.3E63 P64 E70 A71 L100 R166 L168E63-V67 WeakPolarHBondContact O-CG2 3.39Å; P64-V67 WeakPolarHBondContact O-CB 3.47Å; P64-V67 PolarHBondContact O-N 3.09Å; P64-V67 VanDerWaalsContact O-N 3.13Å; V67-E70 PolarHBondContact O-N 2.99Å; V67-A71 VanDerWaalsContact O-CB 3.29Å; V67-A71 WeakPolarHBondContact O-CB 3.1Å; V67-A71 PolarHBondContact O-N 3.36Å; V67-L100 HydrophobicContact CB-CD1 4.43Å; V67-L100 HydrophobicContact CG1-CD1 4.02Å; V67-L100 HydrophobicContact CG1-CD2 4.01Å; V67-L100 HydrophobicContact CG1-CG 4.48Å; V67-R166 HydrophobicContact CG1-CG 4.05Å; V67-L168 HydrophobicContact CB-CD1 4.19Å; V67-L168 HydrophobicContact CG1-CD1 3.46Å; V67-L168 VanDerWaalsContact CG1-CD1 3.46Å; V67-L168 HydrophobicContact CG1-CG 4.31Å; V67-L168 HydrophobicContact CG2-CD1 3.66Å
68L89.4Confident77Confident1 Ų160.2 Ų60.21%0.00535%0.345CS..Hα-helixtrans-59.3-52.5175.8-96.472000110.9C49 P64 M66 E70 A71 L72 L100 E103 L104 A107C49-L68 HydrophobicContact CB-CB 4.19Å; P64-L68 WeakPolarHBondContact O-CD1 3.27Å; P64-L68 PolarHBondContact O-N 2.84Å; M66-L68 VanDerWaalsContact C-N 3.35Å; M66-L68 PolarHBondContact O-N 3.49Å; L68-E70 VanDerWaalsContact C-N 3.33Å; L68-E70 PolarHBondContact O-N 3.09Å; L68-A71 PolarHBondContact O-N 3.37Å; L68-L72 WeakPolarHBondContact O-CB 3.36Å; L68-L72 WeakPolarHBondContact O-CD1 3.45Å; L68-L72 VanDerWaalsContact O-CG 3.28Å; L68-L72 WeakPolarHBondContact O-CG 3.48Å; L68-L72 PolarHBondContact O-N 3.15Å; L68-L100 HydrophobicContact CD1-CD1 3.64Å; L68-E103 HydrophobicContact CD1-CB 4.14Å; L68-E103 HydrophobicContact CD2-CB 4.22Å; L68-L104 HydrophobicContact CB-CD2 4.46Å; L68-L104 HydrophobicContact CD1-CD2 4.42Å; L68-L104 HydrophobicContact CD1-CG 4.31Å; L68-L104 HydrophobicContact CG-CD2 4.02Å; L68-L104 HydrophobicContact CG-CG 4.31Å; L68-A107 HydrophobicContact CD2-CB 4.4Å
69Q90.6Very high79.2Confident53 Ų5363.4 Ų63.425%0.24835%0.347CS..Hα-helixtrans-55.7-51.8179.1179.6-177.1-24.600110.6L47 C49 A65 M66 A71 L72 E73L47-Q69 HydrophobicContact CB-CG 4.39Å; L47-Q69 VanDerWaalsContact O-CG 3.31Å; L47-Q69 WeakPolarHBondContact O-CG 3.47Å; L47-Q69 PolarHBondContact O-NE2 3.08Å; L47-Q69 VanDerWaalsContact O-NE2 3.11Å; L47-Q69 PolarHBondContact O-OE1 3.14Å; C49-Q69 HydrophobicContact CB-CB 4.23Å; C49-Q69 VanDerWaalsContact SG-CA 3.6Å; A65-Q69 WeakPolarHBondContact O-CB 3.33Å; A65-Q69 PolarHBondContact O-N 2.8Å; M66-Q69 PolarHBondContact O-N 2.89Å; Q69-A71 VanDerWaalsContact C-N 3.25Å; Q69-A71 PolarHBondContact O-N 2.88Å; Q69-L72 PolarHBondContact O-N 3.29Å; Q69-E73 HydrophobicContact CG-CG 4.19Å; Q69-E73 WeakPolarHBondContact CG-OE1 3.41Å; Q69-E73 PolarHBondContact NE2-OE1 3.14Å; Q69-E73 WeakPolarHBondContact O-CB 3.48Å; Q69-E73 VanDerWaalsContact O-CG 3.27Å; Q69-E73 WeakPolarHBondContact O-CG 3.38Å; Q69-E73 PolarHBondContact O-N 3.11Å
70E90.8Very high81.3Confident72 Ų7267.2 Ų67.234%0.33634%0.338SS..Hα-helixtrans-63.8-25.3-178.3-86.6-170.8-157.200114.3M66 V67 L68 R166M66-E70 WeakPolarHBondContact O-CB 3.47Å; M66-E70 VanDerWaalsContact O-CG 3.3Å; M66-E70 WeakPolarHBondContact O-CG 3.44Å; M66-E70 PolarHBondContact O-N 3.3Å; V67-E70 PolarHBondContact O-N 2.99Å; L68-E70 VanDerWaalsContact C-N 3.33Å; L68-E70 PolarHBondContact O-N 3.09Å; E70-R166 VanDerWaalsContact CB-NH2 3.34Å; E70-R166 PolarHBondContact O-NH2 2.85Å; E70-R166 IonicContact OE2-CZ 3.01Å; E70-R166 IonicContact OE2-NH1 3.49Å; E70-R166 PolarHBondContact OE2-NH1 3.08Å; E70-R166 IonicContact OE2-NH2 2.59Å; E70-R166 PolarHBondContact OE2-NH2 3.3Å
71A92.9Very high83.2Confident0 Ų060.3 Ų60.30%030%0.304CS..Hα-helixtrans-85.9-31.5174.900000112.7V67 L68 Q69 P74 L104 A165 R166V67-A71 VanDerWaalsContact O-CB 3.29Å; V67-A71 WeakPolarHBondContact O-CB 3.1Å; V67-A71 PolarHBondContact O-N 3.36Å; L68-A71 PolarHBondContact O-N 3.37Å; Q69-A71 VanDerWaalsContact C-N 3.25Å; Q69-A71 PolarHBondContact O-N 2.88Å; A71-P74 WeakPolarHBondContact O-CD 3.43Å; A71-P74 WeakPolarHBondContact O-CG 3.27Å; A71-L104 HydrophobicContact CB-CD1 4.46Å; A71-L104 HydrophobicContact CB-CD2 3.42Å; A71-L104 VanDerWaalsContact CB-CD2 3.42Å; A71-A165 WeakPolarHBondContact O-CB 3.32Å; A71-R166 HydrophobicContact CB-CB 3.79Å; A71-R166 HydrophobicContact CB-CG 4.4Å
72L93.3Very high84.7Confident0 Ų054.7 Ų54.70%028%0.281CS..Hα-helixtrans-87.1-30.8-177.8-68.5165000112.8L47 L68 Q69 A75 M76 A107 K108 L111 V122L47-L72 HydrophobicContact CD2-CB 3.49Å; L47-L72 VanDerWaalsContact CD2-CB 3.49Å; L47-L72 HydrophobicContact CD2-CD1 4.24Å; L68-L72 WeakPolarHBondContact O-CB 3.36Å; L68-L72 WeakPolarHBondContact O-CD1 3.45Å; L68-L72 VanDerWaalsContact O-CG 3.28Å; L68-L72 WeakPolarHBondContact O-CG 3.48Å; L68-L72 PolarHBondContact O-N 3.15Å; Q69-L72 PolarHBondContact O-N 3.29Å; L72-A75 WeakPolarHBondContact O-CA 3.43Å; L72-A75 WeakPolarHBondContact O-CB 3.32Å; L72-A75 PolarHBondContact O-N 2.92Å; L72-M76 WeakPolarHBondContact O-CG 3.24Å; L72-M76 PolarHBondContact O-N 3.02Å; L72-A107 HydrophobicContact CD1-CB 3.52Å; L72-A107 HydrophobicContact CD2-CB 4.31Å; L72-A107 HydrophobicContact CG-CB 4.49Å; L72-K108 HydrophobicContact CD2-CB 4.16Å; L72-L111 HydrophobicContact CD1-CD1 4.24Å; L72-L111 HydrophobicContact CD2-CD1 4.38Å; L72-V122 HydrophobicContact CD2-CB 4.41Å; L72-V122 HydrophobicContact CD2-CG2 3.94Å
73E91.5Very high86.4Confident70 Ų7056.4 Ų56.433%0.32728%0.279SS..G310 helixtrans-45.7-49.9176.7-85.8178.6179.800114.4L47 Q69 A75 M76 L78L47-E73 HydrophobicContact CB-CG 4.45Å; Q69-E73 HydrophobicContact CG-CG 4.19Å; Q69-E73 WeakPolarHBondContact CG-OE1 3.41Å; Q69-E73 PolarHBondContact NE2-OE1 3.14Å; Q69-E73 WeakPolarHBondContact O-CB 3.48Å; Q69-E73 VanDerWaalsContact O-CG 3.27Å; Q69-E73 WeakPolarHBondContact O-CG 3.38Å; Q69-E73 PolarHBondContact O-N 3.11Å; E73-A75 PolarHBondContact O-N 3.27Å; E73-M76 PolarHBondContact O-N 3.29Å; E73-L78 HydrophobicContact CG-CD1 4.38Å
74P91.9Very high87.3Confident56 Ų5652.6 Ų52.636%0.36427%0.266SS..G310 helixtrans-69.1-21.3178.627.6-36.3000113.8A71 M76 L158 A165A71-P74 WeakPolarHBondContact O-CD 3.43Å; A71-P74 WeakPolarHBondContact O-CG 3.27Å; P74-M76 VanDerWaalsContact C-N 3.34Å; P74-L158 HydrophobicContact CB-CD1 3.98Å; P74-L158 HydrophobicContact CG-CD1 4.11Å; P74-A165 HydrophobicContact CG-CB 4.22Å
75A93.3Very high88Confident0 Ų058 Ų580%029%0.29CS..G310 helixtrans-76.9-22.2177.300000112.4L72 E73 M118 N119 V122 L158L72-A75 WeakPolarHBondContact O-CA 3.43Å; L72-A75 WeakPolarHBondContact O-CB 3.32Å; L72-A75 PolarHBondContact O-N 2.92Å; E73-A75 PolarHBondContact O-N 3.27Å; A75-M118 HydrophobicContact CB-CE 4.09Å; A75-M118 CarbonylContact O-C 3.58Å; A75-M118 VanDerWaalsContact O-CA 3.27Å; A75-M118 WeakPolarHBondContact O-CA 3.44Å; A75-N119 PolarHBondContact O-N 3.36Å; A75-V122 HydrophobicContact CB-CG2 3.68Å; A75-L158 HydrophobicContact CB-CD2 3.6Å
76M92.1Very high88.2Confident7 Ų757.3 Ų57.33%0.03428%0.282CS..BIsolated β-bridgetrans-95.3141.7-170.7-64.9-66.7-70.700112.6L72 E73 P74 L78 L86 L111 M116 M118L72-M76 WeakPolarHBondContact O-CG 3.24Å; L72-M76 PolarHBondContact O-N 3.02Å; E73-M76 PolarHBondContact O-N 3.29Å; P74-M76 VanDerWaalsContact C-N 3.34Å; M76-L78 HydrophobicContact CB-CD2 3.86Å; M76-L78 HydrophobicContact CB-CG 3.96Å; M76-L78 PolarHBondContact O-N 2.8Å; M76-L86 HydrophobicContact CE-CD1 3.45Å; M76-L86 VanDerWaalsContact CE-CD1 3.45Å; M76-L111 HydrophobicContact CE-CD1 4.43Å; M76-L111 HydrophobicContact CE-CD2 4.35Å; M76-L111 HydrophobicContact SD-CD1 3.96Å; M76-M116 HydrophobicContact CE-CB 3.8Å; M76-M116 HydrophobicContact CE-CG 4.22Å; M76-M118 HydrophobicContact SD-CE 4.14Å; M76-M118 HydrophobicContact SD-CG 3.7Å; M76-M118 HydrophobicContact SD-SD 4.29Å
77C90.7Very high88.4Confident17 Ų1757.8 Ų57.812%0.11528%0.283CS..  trans-81.560.1172.6-65.80000111.7D79 R80 Y81 E117 N119C77-D79 PolarHBondContact O-N 3.36Å; C77-R80 HydrophobicContact CB-CG 4.08Å; C77-R80 WeakPolarHBondContact O-CB 3.41Å; C77-R80 PolarHBondContact O-N 3.29Å; C77-Y81 WeakPolarHBondContact O-CD2 3.42Å; C77-E117 HydrophobicContact CB-CB 4.1Å; C77-E117 HydrophobicContact CB-CG 4.07Å; C77-E117 WeakPolarHBondContact CB-O 3.43Å; C77-E117 PolarHBondContact N-O 2.89Å; C77-N119 PolarHBondContact SG-OD1 3.25Å
78L86.4Confident88.2Confident36 Ų3657.2 Ų57.219%0.18828%0.281CS..G310 helixtrans-58.6-20-174.8-62.2179.7000113.9E73 M76 R80 Y81 L86E73-L78 HydrophobicContact CG-CD1 4.38Å; M76-L78 HydrophobicContact CB-CD2 3.86Å; M76-L78 HydrophobicContact CB-CG 3.96Å; M76-L78 PolarHBondContact O-N 2.8Å; L78-R80 PolarHBondContact O-N 2.97Å; L78-Y81 CarbonylContact O-C 3.58Å; L78-Y81 PolarHBondContact O-N 3.1Å; L78-Y81 VanDerWaalsContact O-N 3.09Å; L78-L86 HydrophobicContact CD2-CD1 4.29Å
79D87Confident88.1Confident131 Ų13160.7 Ų60.770%0.70131%0.305SS*.G310 helixtrans-63.7-24.2173.7-73.5-41.5000114.4R45 C77 Y81R45-D79 IonicContact NH1-OD1 3.81Å; R45-D79 PolarHBondContact NH1-OD1 3.36Å; C77-D79 PolarHBondContact O-N 3.36Å; D79-Y81 PolarHBondContact O-N 2.68Å
80R86.5Confident88Confident155 Ų15559.2 Ų59.259%0.58530%0.298SS*.G310 helixtrans-79.3-10.8176.3-57.2-63.6-68.3-84.3-15112.5C77 L78 P82 E117C77-R80 HydrophobicContact CB-CG 4.08Å; C77-R80 WeakPolarHBondContact O-CB 3.41Å; C77-R80 PolarHBondContact O-N 3.29Å; L78-R80 PolarHBondContact O-N 2.97Å; R80-P82 VanDerWaalsContact C-CD 3.41Å; R80-P82 WeakPolarHBondContact O-CD 2.93Å; R80-E117 IonicContact CZ-OE1 3.99Å; R80-E117 IonicContact CZ-OE2 2.7Å; R80-E117 IonicContact NE-OE2 3.56Å; R80-E117 IonicContact NH1-OE1 3.13Å; R80-E117 PolarHBondContact NH1-OE1 2.99Å; R80-E117 IonicContact NH1-OE2 3.54Å; R80-E117 PolarHBondContact NH1-OE2 2.87Å; R80-E117 VanDerWaalsContact NH1-OE2 3.11Å; R80-E117 IonicContact NH2-OE2 3.4Å; R80-E117 PolarHBondContact NH2-OE2 2.86Å
81Y85.6Confident87.9Confident54 Ų5460.6 Ų60.621%0.21231%0.307CS..  trans-127.255.5-172.7-58.5-74.7000112.2C77 L78 D79 H83 V84 L86 E117C77-Y81 WeakPolarHBondContact O-CD2 3.42Å; L78-Y81 CarbonylContact O-C 3.58Å; L78-Y81 PolarHBondContact O-N 3.1Å; L78-Y81 VanDerWaalsContact O-N 3.09Å; D79-Y81 PolarHBondContact O-N 2.68Å; Y81-H83 VanDerWaalsContact C-N 3.26Å; Y81-H83 PolarHBondContact O-N 2.73Å; Y81-V84 HydrophobicContact CD1-CB 4.49Å; Y81-V84 PolarHBondContact O-N 3.07Å; Y81-L86 HydrophobicContact CD2-CD1 4.46Å; Y81-E117 HydrophobicContact CE2-CB 4.38Å; Y81-E117 PolarHBondContact OH-N 3.31Å
82P80.8Confident87.7Confident43 Ų4361.7 Ų61.728%0.27931%0.313SS..THydrogen-bonded Turntrans-68.8-19.4-169.728.9-37.7000115.2R80R80-P82 VanDerWaalsContact C-CD 3.41Å; R80-P82 WeakPolarHBondContact O-CD 2.93Å
83H84.4Confident87.6Confident152 Ų15267.9 Ų67.970%0.70435%0.346SS*.THydrogen-bonded Turntrans-126.314-177.3-55.6-52.6000112.4L43 Y81L43-H83 HydrophobicContact CD2-CB 4.08Å; L43-H83 WeakPolarHBondContact CD2-ND1 3.35Å; Y81-H83 VanDerWaalsContact C-N 3.26Å; Y81-H83 PolarHBondContact O-N 2.73Å
84V81.4Confident87.4Confident75 Ų7572.5 Ų72.546%0.45537%0.367SS..  trans-115.2137.9-1771780000108.4Y81 L86Y81-V84 HydrophobicContact CD1-CB 4.49Å; Y81-V84 PolarHBondContact O-N 3.07Å; V84-L86 HydrophobicContact CG1-CD2 3.88Å
85Q84.9Confident87.3Confident132 Ų13271.6 Ų71.662%0.61736%0.359SS*.EExtended strand (participates in β ladder)trans-100.6126.5168.2-173.3172.98.700107.8L48L48-Q85 HydrophobicContact CB-CG 4.49Å
86L86.3Confident87.1Confident9 Ų974 Ų745%0.04738%0.384CS..EExtended strand (participates in β ladder)trans-96.3128176.8-58.8-180000107.7G46 L47 L48 M76 L78 Y81 V84 M116G46-L86 PolarHBondContact O-N 3.4Å; L47-L86 CarbonylContact C-O 3.37Å; L47-L86 WeakPolarHBondContact CA-O 3.25Å; L47-L86 HydrophobicContact CD1-CB 3.88Å; L48-L86 PolarHBondContact N-O 3.18Å; M76-L86 HydrophobicContact CE-CD1 3.45Å; M76-L86 VanDerWaalsContact CE-CD1 3.45Å; L78-L86 HydrophobicContact CD2-CD1 4.29Å; Y81-L86 HydrophobicContact CD2-CD1 4.46Å; V84-L86 HydrophobicContact CG1-CD2 3.88Å; L86-M116 HydrophobicContact CD1-SD 4.33Å; L86-M116 HydrophobicContact CD2-CE 3.58Å; L86-M116 HydrophobicContact CD2-SD 3.86Å
87E87.7Confident87Confident129 Ų12974.1 Ų74.160%0.60339%0.387SS*.EExtended strand (participates in β ladder)trans-114.6121.3177.5-171.3172.7-169.300109.4L48L48-E87 HydrophobicContact CD2-CG 4.22Å; L48-E87 HydrophobicContact CG-CG 4.48Å; L48-E87 CarbonylContact O-C 3.59Å; L48-E87 VanDerWaalsContact O-CA 3.3Å; L48-E87 WeakPolarHBondContact O-CA 2.73Å
88A85.7Confident87Confident9 Ų973.5 Ų73.57%0.07438%0.383CS..EExtended strand (participates in β ladder)trans-110122.2172.200000108.4L48 C49 D50 L111L48-A88 PolarHBondContact O-N 2.73Å; C49-A88 CarbonylContact C-O 3.57Å; C49-A88 WeakPolarHBondContact CA-O 3.33Å; D50-A88 PolarHBondContact N-O 2.8Å; A88-L111 HydrophobicContact CB-CD2 4.38Å
89S87.6Confident87.2Confident74 Ų7472.4 Ų72.452%0.51738%0.379SS..EExtended strand (participates in β ladder)trans-123127.6-179.7-53.10000110.7D50D50-S89 VanDerWaalsContact O-CA 3.27Å; D50-S89 WeakPolarHBondContact O-CA 3.28Å
90E87.8Confident87.3Confident22 Ų2267.7 Ų67.710%0.10335%0.354CS..EExtended strand (participates in β ladder)trans-128.3146.2-177.7-77165.3-117.100112D50 F51 R52 T106 A107D50-E90 PolarHBondContact O-N 3.25Å; F51-E90 HydrophobicContact CD2-CB 4.15Å; R52-E90 PolarHBondContact N-O 3.41Å; E90-T106 HydrophobicContact CG-CG2 4.4Å; E90-T106 WeakPolarHBondContact OE2-CB 3.44Å; E90-A107 WeakPolarHBondContact OE1-CA 3.28Å; E90-A107 WeakPolarHBondContact OE1-CB 3.07Å; E90-A107 PolarHBondContact OE1-N 3.41Å; E90-A107 PolarHBondContact OE2-N 2.96Å
91L89.5Confident87.7Confident101 Ų10160.3 Ų60.353%0.52933%0.326SS..EExtended strand (participates in β ladder)trans-124.1108.3176.3179.666000109.2R52 A54 L93R52-L91 HydrophobicContact CB-CD1 3.97Å; R52-L91 CarbonylContact O-C 3.57Å; R52-L91 VanDerWaalsContact O-CA 3.28Å; R52-L91 WeakPolarHBondContact O-CA 3.44Å; A54-L91 HydrophobicContact CB-CD1 4.41Å; L91-L93 HydrophobicContact CD2-CD2 3.77Å; L91-L93 HydrophobicContact CG-CD2 3.98Å; L91-L93 PolarHBondContact O-N 3.26Å
92L88.1Confident88Confident23 Ų2360.7 Ų60.712%0.1233%0.334CS..EExtended strand (participates in β ladder)trans-75.3113.1172-171.967.2000109.4F51 R52 A54 E94 D95 A99F51-L92 HydrophobicContact CE2-CB 3.91Å; F51-L92 HydrophobicContact CZ-CB 3.97Å; F51-L92 HydrophobicContact CZ-CD2 4.45Å; R52-L92 PolarHBondContact O-N 3.32Å; A54-L92 WeakPolarHBondContact CB-O 3.43Å; A54-L92 PolarHBondContact N-O 2.92Å; L92-E94 WeakPolarHBondContact CD1-O 3.21Å; L92-D95 HydrophobicContact CD2-CB 3.91Å; L92-A99 HydrophobicContact CD2-CB 4Å
93L89.8Confident88.5Confident131 Ų13159 Ų5969%0.68632%0.322SS*.  trans-81.3-40.8-178.2-61.9178000112.4A54 L91A54-L93 HydrophobicContact CB-CD2 4.49Å; L91-L93 HydrophobicContact CD2-CD2 3.77Å; L91-L93 HydrophobicContact CG-CD2 3.98Å; L91-L93 PolarHBondContact O-N 3.26Å
94E88.8Confident89Confident167 Ų16751.9 Ų51.978%0.7829%0.289SS*.  trans-147.5138.5-179-177.3177.2176.900108.1L92L92-E94 WeakPolarHBondContact CD1-O 3.21Å
95D89.1Confident89.6Confident37 Ų3750.2 Ų50.220%0.19828%0.278CS..  trans-104.6102.1176.5-177-12.9000109.8L92 G97 A99 R143L92-D95 HydrophobicContact CD2-CB 3.91Å; D95-G97 VanDerWaalsContact C-N 3.34Å; D95-G97 PolarHBondContact OD1-N 2.8Å; D95-A99 WeakPolarHBondContact OD2-CB 3.43Å; D95-R143 PolarHBondContact O-NE 2.98Å; D95-R143 IonicContact OD1-CZ 3.4Å; D95-R143 IonicContact OD1-NE 3.02Å; D95-R143 IonicContact OD1-NH1 2.61Å; D95-R143 IonicContact OD1-NH2 3.14Å; D95-R143 IonicContact OD2-CZ 3.11Å; D95-R143 IonicContact OD2-NH1 2.86Å; D95-R143 PolarHBondContact OD2-NH1 2.88Å; D95-R143 IonicContact OD2-NH2 3.66Å; D95-R143 PolarHBondContact OD2-NH2 3Å
96G89.3Confident90.1Very high50 Ų5047.2 Ų47.252%0.51527%0.269SS..  trans-88.46.7177.700000114.6M142 R143G96-M142 CarbonylContact O-C 3.58Å; G96-M142 WeakPolarHBondContact O-CA 3.02Å; G96-R143 PolarHBondContact O-N 2.8Å
97G89.9Confident90.4Very high10 Ų1046.8 Ų46.810%0.10327%0.267CS..SBendtrans110.1153.9-170.900000112.1D95 A99D95-G97 VanDerWaalsContact C-N 3.34Å; D95-G97 PolarHBondContact OD1-N 2.8Å; G97-A99 PolarHBondContact O-N 3.06Å; G97-A99 VanDerWaalsContact O-N 3.17Å
98S91Very high90.7Very high3 Ų341.6 Ų41.62%0.02124%0.242CC..  trans50.640.2-179.7-58.40000113.2L100 A101 T102 D140 P141S98-L100 PolarHBondContact O-N 3.36Å; S98-A101 WeakPolarHBondContact O-CB 3.27Å; S98-A101 PolarHBondContact O-N 2.86Å; S98-T102 PolarHBondContact O-N 3.31Å; S98-T102 PolarHBondContact O-OG1 3.03Å; S98-D140 WeakPolarHBondContact CB-OD1 3.43Å; S98-D140 PolarHBondContact OG-OD1 2.75Å; S98-P141 WeakPolarHBondContact OG-CD 3.37Å; S98-P141 PolarHBondContact OG-O 3.16Å
99A90.4Very high91.2Very high14 Ų1446.1 Ų46.112%0.11627%0.265CS..Hα-helixtrans-50.5-53.4-172.400000113.4L92 D95 G97 A101 T102 E103L92-A99 HydrophobicContact CD2-CB 4Å; D95-A99 WeakPolarHBondContact OD2-CB 3.43Å; G97-A99 PolarHBondContact O-N 3.06Å; G97-A99 VanDerWaalsContact O-N 3.17Å; A99-A101 VanDerWaalsContact C-N 3.25Å; A99-A101 PolarHBondContact O-N 3.33Å; A99-T102 CarbonylContact O-C 3.49Å; A99-T102 WeakPolarHBondContact O-CA 3.32Å; A99-T102 WeakPolarHBondContact O-CB 3.41Å; A99-T102 PolarHBondContact O-N 3.32Å; A99-E103 WeakPolarHBondContact O-CG 3.46Å; A99-E103 PolarHBondContact O-N 3.03Å
100L89.8Confident91.5Very high31 Ų3145.2 Ų45.216%0.16226%0.261CS..Hα-helixtrans-58.6-37.3-179.9-17871.2000112.6P64 V67 L68 S98 L104 T154 L168P64-L100 HydrophobicContact CB-CD1 4.22Å; V67-L100 HydrophobicContact CB-CD1 4.43Å; V67-L100 HydrophobicContact CG1-CD1 4.02Å; V67-L100 HydrophobicContact CG1-CD2 4.01Å; V67-L100 HydrophobicContact CG1-CG 4.48Å; L68-L100 HydrophobicContact CD1-CD1 3.64Å; S98-L100 PolarHBondContact O-N 3.36Å; L100-L104 WeakPolarHBondContact O-CG 3.4Å; L100-L104 PolarHBondContact O-N 3.11Å; L100-L104 VanDerWaalsContact O-N 3.11Å; L100-T154 HydrophobicContact CB-CG2 4.4Å; L100-T154 HydrophobicContact CD2-CG2 3.83Å; L100-T154 HydrophobicContact CG-CG2 4.17Å; L100-L168 HydrophobicContact CD2-CD1 3.56Å
101A93.5Very high91.7Very high1 Ų144.5 Ų44.51%0.00826%0.258CS..Hα-helixtrans-67.9-39.4176.100000111S98 A99 N105 S124 T154S98-A101 WeakPolarHBondContact O-CB 3.27Å; S98-A101 PolarHBondContact O-N 2.86Å; A99-A101 VanDerWaalsContact C-N 3.25Å; A99-A101 PolarHBondContact O-N 3.33Å; A101-N105 WeakPolarHBondContact O-CB 2.83Å; A101-N105 VanDerWaalsContact O-CG 3.27Å; A101-N105 PolarHBondContact O-N 2.87Å; A101-N105 VanDerWaalsContact O-N 3.11Å; A101-N105 PolarHBondContact O-ND2 2.83Å; A101-N105 VanDerWaalsContact O-ND2 3.08Å; A101-S124 PolarHBondContact O-OG 3.36Å; A101-T154 HydrophobicContact CB-CG2 4.08Å
102T92.9Very high92Very high62 Ų6241.7 Ų41.738%0.3825%0.25SC..Hα-helixtrans-65.1-40.7176.2-61.50000111.8S98 A99 N105 T106S98-T102 PolarHBondContact O-N 3.31Å; S98-T102 PolarHBondContact O-OG1 3.03Å; A99-T102 CarbonylContact O-C 3.49Å; A99-T102 WeakPolarHBondContact O-CA 3.32Å; A99-T102 WeakPolarHBondContact O-CB 3.41Å; A99-T102 PolarHBondContact O-N 3.32Å; T102-N105 CarbonylContact O-C 3.55Å; T102-N105 PolarHBondContact O-N 2.96Å; T102-T106 WeakPolarHBondContact O-CB 3.42Å; T102-T106 PolarHBondContact O-N 2.77Å; T102-T106 PolarHBondContact O-OG1 3.02Å
103E91.6Very high92.2Very high7 Ų749.2 Ų49.23%0.03328%0.278CS..Hα-helixtrans-60.4-54.7175.9-70.2160.5-151.800111.2F51 L68 A99 N105 T106 A107F51-E103 HydrophobicContact CD2-CG 4.12Å; F51-E103 HydrophobicContact CE2-CG 3.46Å; F51-E103 VanDerWaalsContact CE2-CG 3.46Å; F51-E103 WeakPolarHBondContact CE2-OE1 3.34Å; F51-E103 HydrophobicContact CZ-CG 3.91Å; F51-E103 WeakPolarHBondContact CZ-OE1 3.23Å; F51-E103 WeakPolarHBondContact CZ-OE2 3.42Å; L68-E103 HydrophobicContact CD1-CB 4.14Å; L68-E103 HydrophobicContact CD2-CB 4.22Å; A99-E103 WeakPolarHBondContact O-CG 3.46Å; A99-E103 PolarHBondContact O-N 3.03Å; E103-N105 PolarHBondContact O-N 2.64Å; E103-N105 VanDerWaalsContact O-N 3.14Å; E103-T106 CarbonylContact O-C 3.45Å; E103-T106 WeakPolarHBondContact O-CA 3.49Å; E103-T106 WeakPolarHBondContact O-CB 3.23Å; E103-T106 PolarHBondContact O-N 2.96Å; E103-A107 WeakPolarHBondContact O-CB 3.49Å; E103-A107 PolarHBondContact O-N 3.2Å
104L93.8Very high92.3Very high2 Ų245.6 Ų45.61%0.0127%0.267CS..Hα-helixtrans-53.8-39.9175.1-78.1167.6000113.1L68 A71 L100 T106 K108 S124 A156L68-L104 HydrophobicContact CB-CD2 4.46Å; L68-L104 HydrophobicContact CD1-CD2 4.42Å; L68-L104 HydrophobicContact CD1-CG 4.31Å; L68-L104 HydrophobicContact CG-CD2 4.02Å; L68-L104 HydrophobicContact CG-CG 4.31Å; A71-L104 HydrophobicContact CB-CD1 4.46Å; A71-L104 HydrophobicContact CB-CD2 3.42Å; A71-L104 VanDerWaalsContact CB-CD2 3.42Å; L100-L104 WeakPolarHBondContact O-CG 3.4Å; L100-L104 PolarHBondContact O-N 3.11Å; L100-L104 VanDerWaalsContact O-N 3.11Å; L104-T106 VanDerWaalsContact C-N 3.3Å; L104-K108 PolarHBondContact O-N 3.31Å; L104-S124 VanDerWaalsContact CB-OG 3.23Å; L104-S124 WeakPolarHBondContact CB-OG 3.43Å; L104-A156 HydrophobicContact CD1-CB 3.94Å
105N95Very high92.5Very high40 Ų4040.5 Ų40.521%0.21426%0.259CS..Hα-helixtrans-70.5-25.6176.7-75.5-35.7000113.1A101 T102 E103 K108 L109 S124A101-N105 WeakPolarHBondContact O-CB 2.83Å; A101-N105 VanDerWaalsContact O-CG 3.27Å; A101-N105 PolarHBondContact O-N 2.87Å; A101-N105 VanDerWaalsContact O-N 3.11Å; A101-N105 PolarHBondContact O-ND2 2.83Å; A101-N105 VanDerWaalsContact O-ND2 3.08Å; T102-N105 CarbonylContact O-C 3.55Å; T102-N105 PolarHBondContact O-N 2.96Å; E103-N105 PolarHBondContact O-N 2.64Å; E103-N105 VanDerWaalsContact O-N 3.14Å; N105-K108 WeakPolarHBondContact O-CE 3.3Å; N105-K108 VanDerWaalsContact O-CG 3.24Å; N105-K108 WeakPolarHBondContact O-CG 3.37Å; N105-K108 PolarHBondContact OD1-NZ 3.21Å; N105-L109 WeakPolarHBondContact O-CD1 3.31Å; N105-L109 VanDerWaalsContact O-CG 3.23Å; N105-L109 WeakPolarHBondContact O-CG 3.41Å; N105-S124 PolarHBondContact ND2-O 2.9Å; N105-S124 PolarHBondContact ND2-OG 2.73Å; N105-S124 PolarHBondContact OD1-N 2.97Å; N105-S124 VanDerWaalsContact OD1-N 3.1Å; N105-S124 PolarHBondContact OD1-OG 3.19Å; N105-S124 VanDerWaalsContact OD1-OG 3.07Å
106T94.4Very high92.6Very high69 Ų6941.3 Ų41.342%0.42326%0.262SS..Hα-helixtrans-82.9-46.4177.1-58.80000110.3E90 T102 E103 L104 K108 L109 A110E90-T106 HydrophobicContact CG-CG2 4.4Å; E90-T106 WeakPolarHBondContact OE2-CB 3.44Å; T102-T106 WeakPolarHBondContact O-CB 3.42Å; T102-T106 PolarHBondContact O-N 2.77Å; T102-T106 PolarHBondContact O-OG1 3.02Å; E103-T106 CarbonylContact O-C 3.45Å; E103-T106 WeakPolarHBondContact O-CA 3.49Å; E103-T106 WeakPolarHBondContact O-CB 3.23Å; E103-T106 PolarHBondContact O-N 2.96Å; L104-T106 VanDerWaalsContact C-N 3.3Å; T106-K108 PolarHBondContact O-N 3.11Å; T106-L109 WeakPolarHBondContact O-CB 3.28Å; T106-L109 PolarHBondContact O-N 2.88Å; T106-A110 PolarHBondContact O-N 2.97Å
107A93.1Very high92.7Very high0 Ų042.6 Ų42.60%026%0.255CS..Hα-helixtrans-49-53.817500000113L68 L72 E90 E103 L109 A110 L111L68-A107 HydrophobicContact CD2-CB 4.4Å; L72-A107 HydrophobicContact CD1-CB 3.52Å; L72-A107 HydrophobicContact CD2-CB 4.31Å; L72-A107 HydrophobicContact CG-CB 4.49Å; E90-A107 WeakPolarHBondContact OE1-CA 3.28Å; E90-A107 WeakPolarHBondContact OE1-CB 3.07Å; E90-A107 PolarHBondContact OE1-N 3.41Å; E90-A107 PolarHBondContact OE2-N 2.96Å; E103-A107 WeakPolarHBondContact O-CB 3.49Å; E103-A107 PolarHBondContact O-N 3.2Å; A107-L109 PolarHBondContact O-N 2.87Å; A107-A110 PolarHBondContact O-N 2.8Å; A107-L111 WeakPolarHBondContact O-CG 3.43Å; A107-L111 PolarHBondContact O-N 2.75Å
108K94.6Very high92.9Very high21 Ų2143.9 Ų43.99%0.09126%0.259CS..Hα-helixtrans-60-37.4179.775.1-173.8-174.7-171.10111.7L72 L104 N105 T106 L111 A112 M118 V122L72-K108 HydrophobicContact CD2-CB 4.16Å; L104-K108 PolarHBondContact O-N 3.31Å; N105-K108 WeakPolarHBondContact O-CE 3.3Å; N105-K108 VanDerWaalsContact O-CG 3.24Å; N105-K108 WeakPolarHBondContact O-CG 3.37Å; N105-K108 PolarHBondContact OD1-NZ 3.21Å; T106-K108 PolarHBondContact O-N 3.11Å; K108-L111 PolarHBondContact O-N 3.26Å; K108-A112 VanDerWaalsContact O-CB 3.23Å; K108-A112 WeakPolarHBondContact O-CB 3.46Å; K108-A112 PolarHBondContact O-N 2.82Å; K108-M118 HydrophobicContact CB-CE 4.35Å; K108-V122 HydrophobicContact CD-CB 4.5Å; K108-V122 WeakPolarHBondContact CD-O 3.11Å; K108-V122 VanDerWaalsContact CE-O 3.25Å; K108-V122 WeakPolarHBondContact CE-O 2.93Å; K108-V122 PolarHBondContact NZ-O 3.48Å
109L95.4Very high93Very high104 Ų10448.4 Ų48.455%0.54528%0.282SS..Hα-helixtrans-73.9-38.8-176.2-75.4175.1000109.4N105 T106 A107 A112 Y113N105-L109 WeakPolarHBondContact O-CD1 3.31Å; N105-L109 VanDerWaalsContact O-CG 3.23Å; N105-L109 WeakPolarHBondContact O-CG 3.41Å; T106-L109 WeakPolarHBondContact O-CB 3.28Å; T106-L109 PolarHBondContact O-N 2.88Å; A107-L109 PolarHBondContact O-N 2.87Å; L109-A112 PolarHBondContact O-N 3.18Å; L109-Y113 WeakPolarHBondContact O-CB 3.27Å; L109-Y113 PolarHBondContact O-N 3.26Å
110A94Very high93.3Very high54 Ų5448.3 Ų48.345%0.44628%0.28SS..Hα-helixtrans-60.8-46.3172.700000111.4T106 A107 Y113 A114T106-A110 PolarHBondContact O-N 2.97Å; A107-A110 PolarHBondContact O-N 2.8Å; A110-Y113 PolarHBondContact O-N 3Å; A110-A114 WeakPolarHBondContact O-CB 3.41Å; A110-A114 PolarHBondContact O-N 2.81Å
111L92.6Very high93.6Very high8 Ų850.5 Ų50.54%0.04229%0.292CS..Hα-helixtrans-64.8-44.9177.7-68.7170000112.2L72 M76 A88 A107 K108 A114 G115 M116 M118L72-L111 HydrophobicContact CD1-CD1 4.24Å; L72-L111 HydrophobicContact CD2-CD1 4.38Å; M76-L111 HydrophobicContact CE-CD1 4.43Å; M76-L111 HydrophobicContact CE-CD2 4.35Å; M76-L111 HydrophobicContact SD-CD1 3.96Å; A88-L111 HydrophobicContact CB-CD2 4.38Å; A107-L111 WeakPolarHBondContact O-CG 3.43Å; A107-L111 PolarHBondContact O-N 2.75Å; K108-L111 PolarHBondContact O-N 3.26Å; L111-A114 PolarHBondContact O-N 2.9Å; L111-G115 PolarHBondContact O-N 2.84Å; L111-M116 HydrophobicContact CB-CG 4.47Å; L111-M116 HydrophobicContact CD2-CG 4.19Å; L111-M116 WeakPolarHBondContact O-CB 3.48Å; L111-M116 WeakPolarHBondContact O-CG 3.48Å; L111-M116 PolarHBondContact O-N 2.78Å; L111-M116 VanDerWaalsContact O-N 3.14Å; L111-M118 HydrophobicContact CB-SD 4.26Å
112A94.3Very high93.7Very high42 Ų4250.5 Ų50.535%0.34729%0.291SS..Hα-helixtrans-63.6-41.3176.300000111.7K108 L109 A114 G115 M118 L121K108-A112 VanDerWaalsContact O-CB 3.23Å; K108-A112 WeakPolarHBondContact O-CB 3.46Å; K108-A112 PolarHBondContact O-N 2.82Å; L109-A112 PolarHBondContact O-N 3.18Å; A112-A114 VanDerWaalsContact C-N 3.34Å; A112-G115 PolarHBondContact O-N 2.7Å; A112-G115 VanDerWaalsContact O-N 3.08Å; A112-M118 HydrophobicContact CB-SD 4.08Å; A112-L121 HydrophobicContact CB-CD2 4.08Å
113Y94.1Very high93.9Very high181 Ų18150.8 Ų50.871%0.7129%0.293SS*.Hα-helixtrans-65.7-36.4176.4-177.3-94.1000112.2L109 A110 G115L109-Y113 WeakPolarHBondContact O-CB 3.27Å; L109-Y113 PolarHBondContact O-N 3.26Å; A110-Y113 PolarHBondContact O-N 3Å; Y113-G115 PolarHBondContact O-N 3.14Å; Y113-G115 VanDerWaalsContact O-N 3.13Å
114A91.8Very high94.1Very high55 Ų5550.8 Ų50.846%0.45529%0.294SS..THydrogen-bonded Turntrans-67.1-5.7173.400000113.4A110 L111 A112 M116A110-A114 WeakPolarHBondContact O-CB 3.41Å; A110-A114 PolarHBondContact O-N 2.81Å; L111-A114 PolarHBondContact O-N 2.9Å; A112-A114 VanDerWaalsContact C-N 3.34Å; A114-M116 HydrophobicContact CB-CG 4.3Å
115G91.3Very high94.2Very high60 Ų6052.4 Ų52.462%0.61931%0.305SS*.THydrogen-bonded Turntrans77.123.7179.700000113.3L111 A112 Y113L111-G115 PolarHBondContact O-N 2.84Å; A112-G115 PolarHBondContact O-N 2.7Å; A112-G115 VanDerWaalsContact O-N 3.08Å; Y113-G115 PolarHBondContact O-N 3.14Å; Y113-G115 VanDerWaalsContact O-N 3.13Å
116M91.9Very high94.1Very high53 Ų5350.7 Ų50.726%0.26130%0.296SS..  trans-68.7140.4175.1-62.1-63-176.300110.7M76 L86 L111 A114 M118M76-M116 HydrophobicContact CE-CB 3.8Å; M76-M116 HydrophobicContact CE-CG 4.22Å; L86-M116 HydrophobicContact CD1-SD 4.33Å; L86-M116 HydrophobicContact CD2-CE 3.58Å; L86-M116 HydrophobicContact CD2-SD 3.86Å; L111-M116 HydrophobicContact CB-CG 4.47Å; L111-M116 HydrophobicContact CD2-CG 4.19Å; L111-M116 WeakPolarHBondContact O-CB 3.48Å; L111-M116 WeakPolarHBondContact O-CG 3.48Å; L111-M116 PolarHBondContact O-N 2.78Å; L111-M116 VanDerWaalsContact O-N 3.14Å; A114-M116 HydrophobicContact CB-CG 4.3Å; M116-M118 PolarHBondContact O-N 2.88Å
117E92.3Very high94.1Very high78 Ų7849.7 Ų49.736%0.36429%0.288SS..  trans-74.9115.6177-161.7170.2173.300109.8C77 R80 Y81C77-E117 HydrophobicContact CB-CB 4.1Å; C77-E117 HydrophobicContact CB-CG 4.07Å; C77-E117 WeakPolarHBondContact CB-O 3.43Å; C77-E117 PolarHBondContact N-O 2.89Å; R80-E117 IonicContact CZ-OE1 3.99Å; R80-E117 IonicContact CZ-OE2 2.7Å; R80-E117 IonicContact NE-OE2 3.56Å; R80-E117 IonicContact NH1-OE1 3.13Å; R80-E117 PolarHBondContact NH1-OE1 2.99Å; R80-E117 IonicContact NH1-OE2 3.54Å; R80-E117 PolarHBondContact NH1-OE2 2.87Å; R80-E117 VanDerWaalsContact NH1-OE2 3.11Å; R80-E117 IonicContact NH2-OE2 3.4Å; R80-E117 PolarHBondContact NH2-OE2 2.86Å; Y81-E117 HydrophobicContact CE2-CB 4.38Å; Y81-E117 PolarHBondContact OH-N 3.31Å
118M93.6Very high94.1Very high37 Ų3749.7 Ų49.718%0.18229%0.288CS..BIsolated β-bridgetrans-119.6137.5-178.2-59.7-178.37200110.3A75 M76 K108 L111 A112 M116 L121A75-M118 HydrophobicContact CB-CE 4.09Å; A75-M118 CarbonylContact O-C 3.58Å; A75-M118 VanDerWaalsContact O-CA 3.27Å; A75-M118 WeakPolarHBondContact O-CA 3.44Å; M76-M118 HydrophobicContact SD-CE 4.14Å; M76-M118 HydrophobicContact SD-CG 3.7Å; M76-M118 HydrophobicContact SD-SD 4.29Å; K108-M118 HydrophobicContact CB-CE 4.35Å; L111-M118 HydrophobicContact CB-SD 4.26Å; A112-M118 HydrophobicContact CB-SD 4.08Å; M116-M118 PolarHBondContact O-N 2.88Å; M118-L121 HydrophobicContact CE-CD2 4.02Å; M118-L121 HydrophobicContact SD-CD2 3.88Å
119N93.6Very high94Very high97 Ų9750.5 Ų50.552%0.51929%0.293SS..SBendtrans-70.3-35.6173.2-69.3-53000111.7A75 C77 L161A75-N119 PolarHBondContact O-N 3.36Å; C77-N119 PolarHBondContact SG-OD1 3.25Å; N119-L161 HydrophobicContact CB-CD1 4.39Å
120D95.8Very high93.8Very high13 Ų1346.6 Ų46.67%0.0728%0.276CS..SBendtrans-159.5163.6-180-164.1-1.2000109.4L158 P159 M160 L161D120-L158 HydrophobicContact CB-CB 4.21Å; D120-L158 HydrophobicContact CB-CD2 3.89Å; D120-L158 VanDerWaalsContact OD2-CA 3.27Å; D120-L158 WeakPolarHBondContact OD2-CA 3.28Å; D120-L158 WeakPolarHBondContact OD2-CB 3.37Å; D120-P159 WeakPolarHBondContact OD2-CD 3.36Å; D120-P159 VanDerWaalsContact OD2-N 3.08Å; D120-M160 WeakPolarHBondContact OD1-CG 3.07Å; D120-M160 WeakPolarHBondContact OD2-CA 3.24Å; D120-M160 WeakPolarHBondContact OD2-CB 3.48Å; D120-M160 PolarHBondContact OD2-N 3.17Å; D120-L161 HydrophobicContact CB-CD1 4.01Å; D120-L161 HydrophobicContact CB-CG 4.06Å; D120-L161 PolarHBondContact OD2-N 3.23Å
121L95.4Very high93.4Very high77 Ų7748.7 Ų48.740%0.40329%0.285SS..  trans-94.1126.1172.5-65.4176.7000109.5A112 M118 P159A112-L121 HydrophobicContact CB-CD2 4.08Å; M118-L121 HydrophobicContact CE-CD2 4.02Å; M118-L121 HydrophobicContact SD-CD2 3.88Å; L121-P159 WeakPolarHBondContact O-CD 3.09Å
122V96.6Very high93Very high0 Ų051.3 Ų51.30%031%0.314CS..  trans-60.3141.9171.8179.70000109.4L72 A75 K108 A156 L157 L158L72-V122 HydrophobicContact CD2-CB 4.41Å; L72-V122 HydrophobicContact CD2-CG2 3.94Å; A75-V122 HydrophobicContact CB-CG2 3.68Å; K108-V122 HydrophobicContact CD-CB 4.5Å; K108-V122 WeakPolarHBondContact CD-O 3.11Å; K108-V122 VanDerWaalsContact CE-O 3.25Å; K108-V122 WeakPolarHBondContact CE-O 2.93Å; K108-V122 PolarHBondContact NZ-O 3.48Å; V122-A156 HydrophobicContact CG1-CB 3.89Å; V122-L157 CarbonylContact C-O 3.55Å; V122-L157 VanDerWaalsContact CA-O 3.28Å; V122-L157 WeakPolarHBondContact CA-O 3.41Å; V122-L158 HydrophobicContact CG2-CD2 3.82Å
123V96.8Very high92.5Very high68 Ų6855.6 Ų55.641%0.41234%0.342SS..EExtended strand (participates in β ladder)trans-130.5122.5171.3178.60000107.5A156 L157 P159V123-A156 CarbonylContact O-C 3.56Å; V123-A156 WeakPolarHBondContact O-CA 3.42Å; V123-L157 PolarHBondContact N-O 3.13Å; V123-L157 PolarHBondContact O-N 3.08Å; V123-P159 HydrophobicContact CG2-CG 4.01Å
124S96Very high92.3Very high8 Ų851.9 Ų51.96%0.05634%0.337CS..EExtended strand (participates in β ladder)trans-121.8147.8-176.341.20000112.9A101 L104 N105 L155A101-S124 PolarHBondContact O-OG 3.36Å; L104-S124 VanDerWaalsContact CB-OG 3.23Å; L104-S124 WeakPolarHBondContact CB-OG 3.43Å; N105-S124 PolarHBondContact ND2-O 2.9Å; N105-S124 PolarHBondContact ND2-OG 2.73Å; N105-S124 PolarHBondContact OD1-N 2.97Å; N105-S124 VanDerWaalsContact OD1-N 3.1Å; N105-S124 PolarHBondContact OD1-OG 3.19Å; N105-S124 VanDerWaalsContact OD1-OG 3.07Å; S124-L155 CarbonylContact C-O 3.48Å; S124-L155 WeakPolarHBondContact CA-O 3.06Å; S124-L155 VanDerWaalsContact CB-O 3.28Å; S124-L155 WeakPolarHBondContact CB-O 2.95Å
125C95.7Very high92.1Very high36 Ų3654 Ų5424%0.24335%0.346CS..EExtended strand (participates in β ladder)trans-146.2149.5172.9580000111L139 L155C125-L139 HydrophobicContact CB-CD1 4.22Å; C125-L155 PolarHBondContact N-O 2.7Å; C125-L155 PolarHBondContact O-N 2.87Å
126G93.9Very high92.1Very high3 Ų354.5 Ų54.53%0.03134%0.338CS..EExtended strand (participates in β ladder)trans-86.7152.116800000111.4D140 V153G126-D140 WeakPolarHBondContact O-CA 3.21Å; G126-D140 PolarHBondContact O-N 3.13Å; G126-V153 CarbonylContact C-O 3.53Å; G126-V153 WeakPolarHBondContact CA-O 3.38Å
127L94.2Very high92.2Very high48 Ų4858.7 Ų58.725%0.25135%0.351SS..EExtended strand (participates in β ladder)trans-135.8139.9170.5-74.289.2000108.6W137 L138 L139 G152 V153L127-W137 HydrophobicContact CB-CE3 4.44Å; L127-L138 CarbonylContact C-O 3.57Å; L127-L138 VanDerWaalsContact CA-O 3.25Å; L127-L138 WeakPolarHBondContact CA-O 3.25Å; L127-L139 HydrophobicContact CD1-CD1 4.05Å; L127-L139 HydrophobicContact CG-CD1 4Å; L127-G152 CarbonylContact O-C 3.51Å; L127-G152 WeakPolarHBondContact O-CA 3.42Å; L127-V153 HydrophobicContact CB-CB 4.3Å; L127-V153 PolarHBondContact N-O 3.48Å; L127-V153 PolarHBondContact O-N 3.48Å
128G92.4Very high92.3Very high0 Ų057 Ų570%034%0.344CS..EExtended strand (participates in β ladder)trans-134.6143.3175.700000110.9L138G128-L138 PolarHBondContact N-O 2.83Å; G128-L138 PolarHBondContact O-N 3.3Å
129L92.1Very high92.4Very high38 Ų3861.2 Ų61.220%0.19937%0.367CS..EExtended strand (participates in β ladder)trans-87.4117.3171.9-176.270.2000110.1P135 W137 T149 A150 P151L129-P135 HydrophobicContact CD1-CB 4.02Å; L129-W137 HydrophobicContact CB-CE3 4.17Å; L129-W137 HydrophobicContact CB-CH2 4.34Å; L129-W137 HydrophobicContact CB-CZ3 4.08Å; L129-W137 HydrophobicContact CD1-CD2 4.03Å; L129-W137 HydrophobicContact CD1-CG 4.27Å; L129-W137 HydrophobicContact CD1-CZ2 4.36Å; L129-T149 CarbonylContact O-C 3.58Å; L129-T149 WeakPolarHBondContact O-CA 3.42Å; L129-T149 VanDerWaalsContact O-CB 3.32Å; L129-T149 WeakPolarHBondContact O-CB 3.5Å; L129-A150 PolarHBondContact O-N 3.01Å; L129-P151 PolarHBondContact N-O 2.97Å; L129-P151 VanDerWaalsContact N-O 3.16Å
130A91.1Very high92.4Very high22 Ų2261 Ų6118%0.18237%0.365CS..EExtended strand (participates in β ladder)trans-68.4143.8178.700000111.8G132 T136 L138A130-G132 PolarHBondContact O-N 3.13Å; A130-T136 WeakPolarHBondContact CB-O 3.39Å; A130-T136 PolarHBondContact N-O 3.02Å; A130-L138 HydrophobicContact CB-CD1 4.11Å; A130-L138 HydrophobicContact CB-CD2 4.28Å; A130-L138 HydrophobicContact CB-CG 4.01Å
131P85.4Confident92.2Very high98 Ų9860.6 Ų60.664%0.63636%0.363SS*.PPolyproline II helixtrans-74.2127.8176.530.4-31.7000110H148P131-H148 VanDerWaalsContact CD-O 3.23Å; P131-H148 WeakPolarHBondContact CD-O 3.4Å; P131-H148 HydrophobicContact CG-CB 4.25Å; P131-H148 WeakPolarHBondContact CG-O 3.32Å
132G85.3Confident92.1Very high63 Ų6362.2 Ų62.265%0.64937%0.37SS*.SBendtrans173.3170.1178.800000113.1A130 V134A130-G132 PolarHBondContact O-N 3.13Å; G132-V134 PolarHBondContact O-N 3.32Å
133S82.8Confident91.8Very high133 Ų13366.7 Ų66.793%0.9339%0.387SS*.SBendtrans-66.6-21.3175.6-51.40000112.9
134V90.1Very high91.5Very high103 Ų10369.3 Ų69.362%0.62440%0.398SS*.SBendtrans-114.7124.9176.5-177.80000108.4G132 T136G132-V134 PolarHBondContact O-N 3.32Å; V134-T136 PolarHBondContact O-N 3.34Å; V134-T136 VanDerWaalsContact O-N 3.13Å; V134-T136 PolarHBondContact O-OG1 2.88Å
135P87.8Confident91.2Very high98 Ų9872.3 Ų72.364%0.63641%0.411SS*.  trans-65.5114.2178.227.1-33.5000110L129L129-P135 HydrophobicContact CD1-CB 4.02Å
136T92.3Very high90.8Very high72 Ų7273.8 Ų73.844%0.44242%0.415SS..EExtended strand (participates in β ladder)trans-123.7119.3-178.8-55.70000109.5A130 V134A130-T136 WeakPolarHBondContact CB-O 3.39Å; A130-T136 PolarHBondContact N-O 3.02Å; V134-T136 PolarHBondContact O-N 3.34Å; V134-T136 VanDerWaalsContact O-N 3.13Å; V134-T136 PolarHBondContact O-OG1 2.88Å
137W93Very high90.5Very high140 Ų14079.6 Ų79.653%0.5344%0.441SS..EExtended strand (participates in β ladder)trans-84127.3175.9-68.794.8000110.2L127 L129 P151 V153L127-W137 HydrophobicContact CB-CE3 4.44Å; L129-W137 HydrophobicContact CB-CE3 4.17Å; L129-W137 HydrophobicContact CB-CH2 4.34Å; L129-W137 HydrophobicContact CB-CZ3 4.08Å; L129-W137 HydrophobicContact CD1-CD2 4.03Å; L129-W137 HydrophobicContact CD1-CG 4.27Å; L129-W137 HydrophobicContact CD1-CZ2 4.36Å; W137-P151 HydrophobicContact CH2-CG 4.2Å; W137-V153 HydrophobicContact CZ3-CG2 4.47Å
138L94.2Very high90.2Very high44 Ų4483.2 Ų83.223%0.2346%0.456CS..EExtended strand (participates in β ladder)trans-91.5131.9169-55.4-176.4000108.2L127 G128 A130 P141 E145 T149L127-L138 CarbonylContact C-O 3.57Å; L127-L138 VanDerWaalsContact CA-O 3.25Å; L127-L138 WeakPolarHBondContact CA-O 3.25Å; G128-L138 PolarHBondContact N-O 2.83Å; G128-L138 PolarHBondContact O-N 3.3Å; A130-L138 HydrophobicContact CB-CD1 4.11Å; A130-L138 HydrophobicContact CB-CD2 4.28Å; A130-L138 HydrophobicContact CB-CG 4.01Å; L138-P141 HydrophobicContact CB-CB 4.41Å; L138-E145 HydrophobicContact CD1-CB 3.98Å; L138-E145 HydrophobicContact CD1-CG 4.44Å; L138-T149 HydrophobicContact CD1-CG2 3.66Å; L138-T149 HydrophobicContact CG-CG2 4.42Å
139L95.5Very high89.8Confident125 Ų12584 Ų8465%0.65446%0.461SS*.EExtended strand (participates in β ladder)trans-99.9128.7173.3178.568.2000107.9C125 L127C125-L139 HydrophobicContact CB-CD1 4.22Å; L127-L139 HydrophobicContact CD1-CD1 4.05Å; L127-L139 HydrophobicContact CG-CD1 4Å
140D93.9Very high89.5Confident92 Ų9284.7 Ų84.749%0.49247%0.472SS..SBendtrans53.460.1-177.7-157.535.7000112.6S98 G126S98-D140 WeakPolarHBondContact CB-OD1 3.43Å; S98-D140 PolarHBondContact OG-OD1 2.75Å; G126-D140 WeakPolarHBondContact O-CA 3.21Å; G126-D140 PolarHBondContact O-N 3.13Å
141P92.3Very high89.2Confident4 Ų485.8 Ų85.83%0.02648%0.478CS..  trans-62.8140.3-177.727.3-35.1000111.2S98 L138 E145S98-P141 WeakPolarHBondContact OG-CD 3.37Å; S98-P141 PolarHBondContact OG-O 3.16Å; L138-P141 HydrophobicContact CB-CB 4.41Å; P141-E145 WeakPolarHBondContact CA-OE2 3.3Å; P141-E145 HydrophobicContact CB-CB 3.91Å
142M92.7Very high89.3Confident112 Ų11282.2 Ų82.255%0.55246%0.458SS*.  trans-70.8162.3167.7-58.5-176.4-66.400110.2G96 L144 E145 E146G96-M142 CarbonylContact O-C 3.58Å; G96-M142 WeakPolarHBondContact O-CA 3.02Å; M142-L144 VanDerWaalsContact C-N 3.28Å; M142-L144 PolarHBondContact O-N 2.77Å; M142-L144 VanDerWaalsContact O-N 3.14Å; M142-E145 HydrophobicContact CB-CG 4.45Å; M142-E145 HydrophobicContact CE-CG 4.31Å; M142-E145 PolarHBondContact N-OE2 3.34Å; M142-E145 WeakPolarHBondContact O-CA 3.29Å; M142-E145 WeakPolarHBondContact O-CB 3.44Å; M142-E145 PolarHBondContact O-N 3Å; M142-E146 PolarHBondContact O-N 2.76Å
143R89.9Confident89.7Confident93 Ų9380.6 Ų80.635%0.35144%0.436SS..Hα-helixtrans-47.5-48.6-179.817463.278.9-176.836.1113.4D95 G96 E145 E146 E147D95-R143 PolarHBondContact O-NE 2.98Å; D95-R143 IonicContact OD1-CZ 3.4Å; D95-R143 IonicContact OD1-NE 3.02Å; D95-R143 IonicContact OD1-NH1 2.61Å; D95-R143 IonicContact OD1-NH2 3.14Å; D95-R143 IonicContact OD2-CZ 3.11Å; D95-R143 IonicContact OD2-NH1 2.86Å; D95-R143 PolarHBondContact OD2-NH1 2.88Å; D95-R143 IonicContact OD2-NH2 3.66Å; D95-R143 PolarHBondContact OD2-NH2 3Å; G96-R143 PolarHBondContact O-N 2.8Å; R143-E145 PolarHBondContact O-N 2.88Å; R143-E146 IonicContact NH1-OE2 2.78Å; R143-E146 PolarHBondContact NH1-OE2 2.92Å; R143-E146 PolarHBondContact O-N 3.4Å; R143-E147 WeakPolarHBondContact O-CG 3.41Å; R143-E147 PolarHBondContact O-N 2.61Å; R143-E147 VanDerWaalsContact O-N 3.12Å
144L90.6Very high90.2Very high123 Ų12375.5 Ų75.564%0.64440%0.399SS*.Hα-helixtrans-63.8-31-179.6-66.2175.6000112.6M142 H148M142-L144 VanDerWaalsContact C-N 3.28Å; M142-L144 PolarHBondContact O-N 2.77Å; M142-L144 VanDerWaalsContact O-N 3.14Å; L144-H148 PolarHBondContact O-ND1 2.8Å
145E91.1Very high90.5Very high71 Ų7172.5 Ų72.533%0.33238%0.379SS..Hα-helixtrans-77.7-42.9177.2-61.7174.2140.500110.1L138 P141 M142 R143 E147 H148 T149L138-E145 HydrophobicContact CD1-CB 3.98Å; L138-E145 HydrophobicContact CD1-CG 4.44Å; P141-E145 WeakPolarHBondContact CA-OE2 3.3Å; P141-E145 HydrophobicContact CB-CB 3.91Å; M142-E145 HydrophobicContact CB-CG 4.45Å; M142-E145 HydrophobicContact CE-CG 4.31Å; M142-E145 PolarHBondContact N-OE2 3.34Å; M142-E145 WeakPolarHBondContact O-CA 3.29Å; M142-E145 WeakPolarHBondContact O-CB 3.44Å; M142-E145 PolarHBondContact O-N 3Å; R143-E145 PolarHBondContact O-N 2.88Å; E145-E147 VanDerWaalsContact C-N 3.3Å; E145-E147 PolarHBondContact O-N 3.12Å; E145-H148 CarbonylContact O-C 3.57Å; E145-H148 PolarHBondContact O-N 3.49Å; E145-T149 WeakPolarHBondContact O-CG2 3.41Å; E145-T149 PolarHBondContact O-N 3.28Å
146E87.1Confident90.9Very high68 Ų6867.9 Ų67.932%0.31835%0.349SS..Hα-helixtrans-57.6-41179.6-168.4170.9-144.900112.1M142 R143 H148 T149M142-E146 PolarHBondContact O-N 2.76Å; R143-E146 IonicContact NH1-OE2 2.78Å; R143-E146 PolarHBondContact NH1-OE2 2.92Å; R143-E146 PolarHBondContact O-N 3.4Å; E146-H148 PolarHBondContact O-N 3.04Å; E146-H148 VanDerWaalsContact O-N 3.16Å; E146-T149 WeakPolarHBondContact CA-OG1 3.13Å; E146-T149 PolarHBondContact O-N 2.59Å; E146-T149 VanDerWaalsContact O-N 3.13Å; E146-T149 PolarHBondContact O-OG1 3.01Å; E146-T149 VanDerWaalsContact O-OG1 3.08Å
147E87Confident91.1Very high124 Ų12467.4 Ų67.458%0.57934%0.344SS*.THydrogen-bonded Turntrans-56.1-29.8175.2-75.2173.5-167.400113.9R143 E145R143-E147 WeakPolarHBondContact O-CG 3.41Å; R143-E147 PolarHBondContact O-N 2.61Å; R143-E147 VanDerWaalsContact O-N 3.12Å; E145-E147 VanDerWaalsContact C-N 3.3Å; E145-E147 PolarHBondContact O-N 3.12Å
148H87Confident91.3Very high125 Ų12560.8 Ų60.858%0.57932%0.319SS*.THydrogen-bonded Turntrans-104.1-9.5-177.9-61.192.8000112.7P131 L144 E145 E146P131-H148 VanDerWaalsContact CD-O 3.23Å; P131-H148 WeakPolarHBondContact CD-O 3.4Å; P131-H148 HydrophobicContact CG-CB 4.25Å; P131-H148 WeakPolarHBondContact CG-O 3.32Å; L144-H148 PolarHBondContact O-ND1 2.8Å; E145-H148 CarbonylContact O-C 3.57Å; E145-H148 PolarHBondContact O-N 3.49Å; E146-H148 PolarHBondContact O-N 3.04Å; E146-H148 VanDerWaalsContact O-N 3.16Å
149T85.1Confident91.4Very high17 Ų1762 Ų6210%0.10433%0.329CS..  trans-91139.6179.364.40000112.5L129 L138 E145 E146L129-T149 CarbonylContact O-C 3.58Å; L129-T149 WeakPolarHBondContact O-CA 3.42Å; L129-T149 VanDerWaalsContact O-CB 3.32Å; L129-T149 WeakPolarHBondContact O-CB 3.5Å; L138-T149 HydrophobicContact CD1-CG2 3.66Å; L138-T149 HydrophobicContact CG-CG2 4.42Å; E145-T149 WeakPolarHBondContact O-CG2 3.41Å; E145-T149 PolarHBondContact O-N 3.28Å; E146-T149 WeakPolarHBondContact CA-OG1 3.13Å; E146-T149 PolarHBondContact O-N 2.59Å; E146-T149 VanDerWaalsContact O-N 3.13Å; E146-T149 PolarHBondContact O-OG1 3.01Å; E146-T149 VanDerWaalsContact O-OG1 3.08Å
150A84.7Confident91.5Very high51 Ų5163.6 Ų63.642%0.42134%0.335SS..  trans-158.6133.2168.500000110.3L129L129-A150 PolarHBondContact O-N 3.01Å
151P85.1Confident91.5Very high46 Ų4662.7 Ų62.730%0.29933%0.33SS..SBendcis-77.8158.90.833.2-37.2000113.8L129 W137L129-P151 PolarHBondContact N-O 2.97Å; L129-P151 VanDerWaalsContact N-O 3.16Å; W137-P151 HydrophobicContact CH2-CG 4.2Å
152G88.9Confident91.6Very high22 Ų2269.6 Ų69.623%0.22737%0.367CS..EExtended strand (participates in β ladder)trans-100.5141.4171.800000111.3L127 A169 A170L127-G152 CarbonylContact O-C 3.51Å; L127-G152 WeakPolarHBondContact O-CA 3.42Å; G152-A169 CarbonylContact O-C 3.59Å; G152-A170 PolarHBondContact N-O 3.16Å; G152-A170 PolarHBondContact O-N 2.74Å
153V92.3Very high91.8Very high30 Ų3069.2 Ų69.218%0.18236%0.364CS..EExtended strand (participates in β ladder)trans-135.6131.3-178.3178.20000109G126 L127 W137 L167 L168 A169G126-V153 CarbonylContact C-O 3.53Å; G126-V153 WeakPolarHBondContact CA-O 3.38Å; L127-V153 HydrophobicContact CB-CB 4.3Å; L127-V153 PolarHBondContact N-O 3.48Å; L127-V153 PolarHBondContact O-N 3.48Å; W137-V153 HydrophobicContact CZ3-CG2 4.47Å; V153-L167 HydrophobicContact CG1-CD1 3.53Å; V153-L168 CarbonylContact C-O 3.58Å; V153-L168 VanDerWaalsContact CA-O 3.28Å; V153-L168 WeakPolarHBondContact CA-O 3.18Å; V153-L168 WeakPolarHBondContact CG1-O 3.36Å; V153-A169 HydrophobicContact CG2-CB 4.12Å
154T93.8Very high92.1Very high25 Ų2569.2 Ų69.215%0.15337%0.374CS..EExtended strand (participates in β ladder)trans-111.9126.2168.8-62.20000109.2L100 A101 L168L100-T154 HydrophobicContact CB-CG2 4.4Å; L100-T154 HydrophobicContact CD2-CG2 3.83Å; L100-T154 HydrophobicContact CG-CG2 4.17Å; A101-T154 HydrophobicContact CB-CG2 4.08Å; T154-L168 PolarHBondContact N-O 3.17Å; T154-L168 PolarHBondContact O-N 3.05Å
155L95.4Very high92.3Very high40 Ų4063.8 Ų63.821%0.20935%0.347CS..EExtended strand (participates in β ladder)trans-111.9141.3177.7178.867.4000109.6S124 C125 L157 V164 L167S124-L155 CarbonylContact C-O 3.48Å; S124-L155 WeakPolarHBondContact CA-O 3.06Å; S124-L155 VanDerWaalsContact CB-O 3.28Å; S124-L155 WeakPolarHBondContact CB-O 2.95Å; C125-L155 PolarHBondContact N-O 2.7Å; C125-L155 PolarHBondContact O-N 2.87Å; L155-L157 HydrophobicContact CD1-CD2 4.07Å; L155-L157 HydrophobicContact CD1-CG 4.39Å; L155-L157 HydrophobicContact CD2-CD1 3.84Å; L155-L157 HydrophobicContact CD2-CD2 4.13Å; L155-L157 HydrophobicContact CD2-CG 3.95Å; L155-L157 HydrophobicContact CG-CD1 4.37Å; L155-L157 HydrophobicContact CG-CD2 4.16Å; L155-L157 HydrophobicContact CG-CG 3.96Å; L155-V164 HydrophobicContact CD1-CG1 3.91Å; L155-L167 HydrophobicContact CB-CD1 4.41Å; L155-L167 HydrophobicContact CD1-CB 4.47Å; L155-L167 HydrophobicContact CD1-CD1 3.97Å
156A96.6Very high92.4Very high1 Ų163.9 Ų63.91%0.00834%0.344CS..EExtended strand (participates in β ladder)trans-130.7127.817100000110.2L104 V122 V123 A165 R166L104-A156 HydrophobicContact CD1-CB 3.94Å; V122-A156 HydrophobicContact CG1-CB 3.89Å; V123-A156 CarbonylContact O-C 3.56Å; V123-A156 WeakPolarHBondContact O-CA 3.42Å; A156-A165 HydrophobicContact CB-CB 4.36Å; A156-A165 PolarHBondContact O-N 2.99Å; A156-R166 HydrophobicContact CB-CB 3.96Å; A156-R166 PolarHBondContact N-O 2.91Å; A156-R166 PolarHBondContact O-N 3.34Å
157L97.4Very high92.7Very high62 Ų6265.6 Ų65.633%0.32536%0.355SS..EExtended strand (participates in β ladder)trans-123.6149.2-172.6-65.1171.2000111.4V122 V123 L155 P159 Q163 V164V122-L157 CarbonylContact C-O 3.55Å; V122-L157 VanDerWaalsContact CA-O 3.28Å; V122-L157 WeakPolarHBondContact CA-O 3.41Å; V123-L157 PolarHBondContact N-O 3.13Å; V123-L157 PolarHBondContact O-N 3.08Å; L155-L157 HydrophobicContact CD1-CD2 4.07Å; L155-L157 HydrophobicContact CD1-CG 4.39Å; L155-L157 HydrophobicContact CD2-CD1 3.84Å; L155-L157 HydrophobicContact CD2-CD2 4.13Å; L155-L157 HydrophobicContact CD2-CG 3.95Å; L155-L157 HydrophobicContact CG-CD1 4.37Å; L155-L157 HydrophobicContact CG-CD2 4.16Å; L155-L157 HydrophobicContact CG-CG 3.96Å; L157-P159 WeakPolarHBondContact O-CD 3.35Å; L157-Q163 CarbonylContact C-O 3.55Å; L157-Q163 WeakPolarHBondContact CA-O 3.28Å; L157-V164 HydrophobicContact CD2-CB 4.39Å; L157-V164 HydrophobicContact CD2-CG2 3.8Å
158L97.4Very high93Very high2 Ų262.7 Ų62.71%0.0134%0.343CS..EExtended strand (participates in β ladder)trans-104.494.8164-63.7161.9000105.7P74 A75 D120 V122 M160 L161 N162 Q163 A165P74-L158 HydrophobicContact CB-CD1 3.98Å; P74-L158 HydrophobicContact CG-CD1 4.11Å; A75-L158 HydrophobicContact CB-CD2 3.6Å; D120-L158 HydrophobicContact CB-CB 4.21Å; D120-L158 HydrophobicContact CB-CD2 3.89Å; D120-L158 VanDerWaalsContact OD2-CA 3.27Å; D120-L158 WeakPolarHBondContact OD2-CA 3.28Å; D120-L158 WeakPolarHBondContact OD2-CB 3.37Å; V122-L158 HydrophobicContact CG2-CD2 3.82Å; L158-M160 PolarHBondContact O-N 3.06Å; L158-L161 HydrophobicContact CB-CB 4.01Å; L158-L161 HydrophobicContact CB-CD1 4.29Å; L158-L161 HydrophobicContact CD1-CD1 4.2Å; L158-L161 CarbonylContact O-C 3.44Å; L158-L161 PolarHBondContact O-N 3.33Å; L158-N162 WeakPolarHBondContact O-CA 3.33Å; L158-N162 PolarHBondContact O-N 3.32Å; L158-Q163 HydrophobicContact CB-CB 4.36Å; L158-Q163 HydrophobicContact CD1-CB 4.37Å; L158-Q163 PolarHBondContact N-O 2.78Å; L158-Q163 PolarHBondContact O-N 3.03Å; L158-Q163 VanDerWaalsContact O-N 3.09Å; L158-A165 HydrophobicContact CD1-CB 4.23Å; L158-A165 HydrophobicContact CG-CB 4.14Å
159P96.1Very high93Very high69 Ų6960.4 Ų60.445%0.44835%0.346SS..THydrogen-bonded Turntrans-67.6-36-166.727.3-34.6000113.4D120 L121 V123 L157 N162D120-P159 WeakPolarHBondContact OD2-CD 3.36Å; D120-P159 VanDerWaalsContact OD2-N 3.08Å; L121-P159 WeakPolarHBondContact O-CD 3.09Å; V123-P159 HydrophobicContact CG2-CG 4.01Å; L157-P159 WeakPolarHBondContact O-CD 3.35Å; P159-N162 PolarHBondContact O-N 3.49Å
160M96.3Very high92.9Very high159 Ų15963 Ų6378%0.78337%0.369SS*.THydrogen-bonded Turntrans-73-34.5178.5-61.7-58.7-59.600111.3D120 L158 N162D120-M160 WeakPolarHBondContact OD1-CG 3.07Å; D120-M160 WeakPolarHBondContact OD2-CA 3.24Å; D120-M160 WeakPolarHBondContact OD2-CB 3.48Å; D120-M160 PolarHBondContact OD2-N 3.17Å; L158-M160 PolarHBondContact O-N 3.06Å; M160-N162 VanDerWaalsContact C-N 3.31Å
161L94.5Very high92.3Very high72 Ų7263.6 Ų63.638%0.37738%0.38SS..THydrogen-bonded Turntrans-82.5-10.8175-63.4177.5000113.2N119 D120 L158 Q163N119-L161 HydrophobicContact CB-CD1 4.39Å; D120-L161 HydrophobicContact CB-CD1 4.01Å; D120-L161 HydrophobicContact CB-CG 4.06Å; D120-L161 PolarHBondContact OD2-N 3.23Å; L158-L161 HydrophobicContact CB-CB 4.01Å; L158-L161 HydrophobicContact CB-CD1 4.29Å; L158-L161 HydrophobicContact CD1-CD1 4.2Å; L158-L161 CarbonylContact O-C 3.44Å; L158-L161 PolarHBondContact O-N 3.33Å; L161-Q163 HydrophobicContact CB-CB 4.33Å; L161-Q163 HydrophobicContact CB-CG 4.25Å; L161-Q163 WeakPolarHBondContact O-CG 3.23Å; L161-Q163 PolarHBondContact O-N 2.92Å
162N95.6Very high91Very high149 Ų14971.9 Ų71.980%0.79741%0.406SS*.THydrogen-bonded Turntrans47.946.8-171.2-168.939.2000112.5L158 P159 M160L158-N162 WeakPolarHBondContact O-CA 3.33Å; L158-N162 PolarHBondContact O-N 3.32Å; P159-N162 PolarHBondContact O-N 3.49Å; M160-N162 VanDerWaalsContact C-N 3.31Å
163Q95.9Very high89Confident105 Ų10575.6 Ų75.649%0.49143%0.434SS..EExtended strand (participates in β ladder)trans-121.5146.9-177-76.3173.649.800111.1L157 L158 L161L157-Q163 CarbonylContact C-O 3.55Å; L157-Q163 WeakPolarHBondContact CA-O 3.28Å; L158-Q163 HydrophobicContact CB-CB 4.36Å; L158-Q163 HydrophobicContact CD1-CB 4.37Å; L158-Q163 PolarHBondContact N-O 2.78Å; L158-Q163 PolarHBondContact O-N 3.03Å; L158-Q163 VanDerWaalsContact O-N 3.09Å; L161-Q163 HydrophobicContact CB-CB 4.33Å; L161-Q163 HydrophobicContact CB-CG 4.25Å; L161-Q163 WeakPolarHBondContact O-CG 3.23Å; L161-Q163 PolarHBondContact O-N 2.92Å
164V96.2Very high86.8Confident92 Ų9282.6 Ų82.656%0.55850%0.495SS*.EExtended strand (participates in β ladder)trans-85.7114170.7-178.80000107.9L155 L157 L167L155-V164 HydrophobicContact CD1-CG1 3.91Å; L157-V164 HydrophobicContact CD2-CB 4.39Å; L157-V164 HydrophobicContact CD2-CG2 3.8Å; V164-L167 HydrophobicContact CG1-CB 4.29Å
165A94.3Very high86.5Confident10 Ų1085.5 Ų85.58%0.08351%0.512CS..EExtended strand (participates in β ladder)trans-75.8-39.9174.400000111.2A71 P74 A156 L158A71-A165 WeakPolarHBondContact O-CB 3.32Å; P74-A165 HydrophobicContact CG-CB 4.22Å; A156-A165 HydrophobicContact CB-CB 4.36Å; A156-A165 PolarHBondContact O-N 2.99Å; L158-A165 HydrophobicContact CD1-CB 4.23Å; L158-A165 HydrophobicContact CG-CB 4.14Å
166R94.2Very high86Confident73 Ų7387.8 Ų87.828%0.27553%0.528SS..EExtended strand (participates in β ladder)trans-157.2146.6179.7-16152.246168.3-0.1111.2V67 E70 A71 A156 L168V67-R166 HydrophobicContact CG1-CG 4.05Å; E70-R166 VanDerWaalsContact CB-NH2 3.34Å; E70-R166 PolarHBondContact O-NH2 2.85Å; E70-R166 IonicContact OE2-CZ 3.01Å; E70-R166 IonicContact OE2-NH1 3.49Å; E70-R166 PolarHBondContact OE2-NH1 3.08Å; E70-R166 IonicContact OE2-NH2 2.59Å; E70-R166 PolarHBondContact OE2-NH2 3.3Å; A71-R166 HydrophobicContact CB-CB 3.79Å; A71-R166 HydrophobicContact CB-CG 4.4Å; A156-R166 HydrophobicContact CB-CB 3.96Å; A156-R166 PolarHBondContact N-O 2.91Å; A156-R166 PolarHBondContact O-N 3.34Å; R166-L168 HydrophobicContact CG-CG 4.36Å
167L93.9Very high85.4Confident103 Ų10392.7 Ų92.754%0.53956%0.557SS.*EExtended strand (participates in β ladder)trans-137.9123.9169.6175.467.7000107.4V153 L155 V164V153-L167 HydrophobicContact CG1-CD1 3.53Å; L155-L167 HydrophobicContact CB-CD1 4.41Å; L155-L167 HydrophobicContact CD1-CB 4.47Å; L155-L167 HydrophobicContact CD1-CD1 3.97Å; V164-L167 HydrophobicContact CG1-CB 4.29Å
168L91.7Very high84.7Confident63 Ų6394.5 Ų94.533%0.3357%0.57SS.*EExtended strand (participates in β ladder)trans-121.6136172.5-67.5-176.5000109.4V67 L100 V153 T154 R166V67-L168 HydrophobicContact CB-CD1 4.19Å; V67-L168 HydrophobicContact CG1-CD1 3.46Å; V67-L168 VanDerWaalsContact CG1-CD1 3.46Å; V67-L168 HydrophobicContact CG1-CG 4.31Å; V67-L168 HydrophobicContact CG2-CD1 3.66Å; L100-L168 HydrophobicContact CD2-CD1 3.56Å; V153-L168 CarbonylContact C-O 3.58Å; V153-L168 VanDerWaalsContact CA-O 3.28Å; V153-L168 WeakPolarHBondContact CA-O 3.18Å; V153-L168 WeakPolarHBondContact CG1-O 3.36Å; T154-L168 PolarHBondContact N-O 3.17Å; T154-L168 PolarHBondContact O-N 3.05Å; R166-L168 HydrophobicContact CG-CG 4.36Å
169A88.6Confident83.9Confident78 Ų78100.3 Ų100.365%0.64561%0.605SS**EExtended strand (participates in β ladder)trans-127.2118.4176.300000108.7G152 V153G152-A169 CarbonylContact O-C 3.59Å; V153-A169 HydrophobicContact CG2-CB 4.12Å
170A82.3Confident83.1Confident71 Ų71102.3 Ų102.359%0.58762%0.616SS**EExtended strand (participates in β ladder)trans-100.4105.1172.100000108.3G152G152-A170 PolarHBondContact N-O 3.16Å; G152-A170 PolarHBondContact O-N 2.74Å
171G71.7Confident82.1Confident64 Ų6498.3 Ų98.366%0.6660%0.604SS**  trans-100.5121.3174.900000110.8
172R59Low81.2Confident220 Ų220100.3 Ų100.383%0.8362%0.621SS**  trans-85115.9165.5-157.3172.2-170.2163.93.5107.6A174R172-A174 PolarHBondContact O-N 3.33Å
173A46.6Very low80Confident100 Ų10096.3 Ų96.383%0.82661%0.606SS**  trans-64.3124.6169.800000108.2
174A45.5Very low78.5Confident176 Ų17695.5 Ų95.5100%1.45562%0.617SS**  trans-71.80175.100000111.7R172R172-A174 PolarHBondContact O-N 3.33Å

Retrieved 174 of 174 residues in 72.3 ms (Link to these results)