A0A087YLH3_POEFO Loading...

Mitochondrial ribosomal protein S24

AlphaFold DB , UniProt , Accession A0A087YLH3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 171 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
1M38.8Very low36.5Very low247 Ų247133.7 Ų133.7100%1.21786%0.857SS**  0117.40-81.9-165.5-108.500108.3
2A32Very low36.4Very low99 Ų99141.2 Ų141.282%0.81886%0.855SS**  trans25.3100.6170.100000118.5
3A33.7Very low37Very low101 Ų101142.2 Ų142.284%0.83585%0.852SS**  71.3104.270.900000114.5
4S42.4Very low37Very low111 Ų111143.2 Ų143.278%0.77685%0.85SS**  trans-59.1140.8164.1500000112.8
5L35.3Very low37.2Very low177 Ų177140.9 Ų140.993%0.92784%0.837SS**  trans-147.7117.4150.7-77.1179.8000111.5
6S33.5Very low37.3Very low107 Ų107137.6 Ų137.675%0.74883%0.83SS**  trans-72.4142.3164.345.80000111.8
7F41.6Very low37.5Very low200 Ų200139.5 Ų139.588%0.87783%0.834SS**  trans32.2120.1149.1-103.5-95000119.3
8T33.9Very low37.5Very low151 Ų151137.4 Ų137.493%0.92683%0.834SS**  trans172.5142.8131.837.90000110
9G32.5Very low38Very low71 Ų71143.1 Ų143.173%0.73284%0.839SS**  trans143.664.3176.800000111.5
10S31.7Very low37.9Very low113 Ų113141.1 Ų141.179%0.7983%0.833SS**  64.791.1101.8-159.70000112.4R12S10-R12 PolarHBondContact O-N 3.4Å
11A45.8Very low37.9Very low94 Ų94139.8 Ų139.878%0.77783%0.831SS**  trans-58.2123.9158.600000109.4
12R35.8Very low37.8Very low223 Ų223132.3 Ų132.384%0.84281%0.808SS**  trans-179.8106.2151.6-97157.1-167.3-148.95.5107.6S10S10-R12 PolarHBondContact O-N 3.4Å
13L44.4Very low38.2Very low155 Ų155134.5 Ų134.581%0.81281%0.806SS**  76.5109.9103.1-84.7174.8000113.6
14L36.8Very low38.5Very low156 Ų156139.6 Ų139.682%0.81781%0.805SS**  trans-151.4100.8135.3-90.8179.2000107.1
15T39.6Very low38.4Very low109 Ų109140.3 Ų140.367%0.66980%0.8SS**  77.5102.6108.953.50000113.1
16A39.5Very low38.9Very low87 Ų87137 Ų13772%0.71979%0.791SS**  91133.673.500000112.7
17L40.2Very low39.6Very low171 Ų171140.5 Ų140.590%0.89579%0.793SS**  trans79.494.1160.9-64.9159.8000118.8
18A38.1Very low40.3Very low101 Ų101138.1 Ų138.184%0.83579%0.785SS**  -155.598.4118.700000109.7
19R45.8Very low41.4Very low246 Ų246136.2 Ų136.293%0.92878%0.778SS**  trans-81.9114.4158.6-83.6-178.5166.5179.1-3.7107.4
20S36.8Very low42.8Very low102 Ų102142.2 Ų142.271%0.71378%0.779SS**  trans-174.7114.1144.624.30000111.5
21S37.7Very low44.3Very low114 Ų114141.7 Ų141.780%0.79778%0.775SS**  trans40.6134.9138.958.40000122
22A36.2Very low45.2Very low90 Ų90145.9 Ų145.974%0.74478%0.776SS**  trans93.794.6153.500000117.1
23L41.3Very low46.3Very low146 Ų146143.1 Ų143.176%0.76477%0.773SS**  46.1132.2128.1-56.9171.8000120
24Y40.2Very low47.5Very low207 Ų207140.6 Ų140.681%0.81277%0.774SS**  trans79.685.9162.9-56.4-79.5000117.8
25N39.6Very low49.1Very low127 Ų127138 Ų13868%0.67977%0.765SS**  -177.6101.3104.6-114.5-16.6000108.3F27N25-F27 HydrophobicContact CB-CD2 4.11Å; N25-F27 HydrophobicContact CB-CE2 4.29Å; N25-F27 PolarHBondContact O-N 2.77Å
26S45.7Very low50.6Low106 Ų106137.4 Ų137.474%0.74177%0.771SS**  trans-63.491.6152.848.10000106.3E28S26-E28 PolarHBondContact O-N 2.88Å
27F49Very low52.2Low181 Ų181139.3 Ų139.379%0.79477%0.773SS**  trans-60.590.1156.7-91.4-88.9000105.5N25 S29N25-F27 HydrophobicContact CB-CD2 4.11Å; N25-F27 HydrophobicContact CB-CE2 4.29Å; N25-F27 PolarHBondContact O-N 2.77Å; F27-S29 PolarHBondContact O-N 2.74Å
28E56Low53.7Low151 Ų151135.7 Ų135.771%0.70676%0.761SS**  trans-53.6100.4160-77.4-175.3159.800105.3S26 R30S26-E28 PolarHBondContact O-N 2.88Å; E28-R30 PolarHBondContact O-N 2.84Å
29S57.1Low55.6Low111 Ų111136.3 Ų136.378%0.77676%0.758SS**  trans-62.589.3169.453.70000106.8F27 S31F27-S29 PolarHBondContact O-N 2.74Å; S29-S31 PolarHBondContact O-N 3.11Å
30R60.7Low57.6Low196 Ų196132 Ų13274%0.7475%0.746SS**  trans-64.591.8165.7-81.7-174.8178.5-132.70.1106.7E28 F32E28-R30 PolarHBondContact O-N 2.84Å; R30-F32 WeakPolarHBondContact O-CD2 3.47Å; R30-F32 PolarHBondContact O-N 2.86Å; R30-F32 VanDerWaalsContact O-N 3.11Å
31S64.6Low60.1Low103 Ų103133 Ų13372%0.7274%0.743SS**  trans-66.4107.2170.254.70000108.1S29 H33S29-S31 PolarHBondContact O-N 3.11Å; S31-H33 PolarHBondContact O-N 3.33Å
32F64.6Low62.6Low182 Ų182136.1 Ų136.180%0.79874%0.737SS**  trans-73114.8169.2-67.6-82.3000108.5R30 A34R30-F32 WeakPolarHBondContact O-CD2 3.47Å; R30-F32 PolarHBondContact O-N 2.86Å; R30-F32 VanDerWaalsContact O-N 3.11Å; F32-A34 PolarHBondContact O-N 3Å
33H58.7Low65.3Low165 Ų165135.4 Ų135.476%0.76473%0.732SS**  trans-69.496.6169.9-112.5-79.1000108.6S31 T35S31-H33 PolarHBondContact O-N 3.33Å; H33-T35 PolarHBondContact ND1-OG1 3.46Å; H33-T35 PolarHBondContact O-N 3.34Å
34A69.5Low67.8Low102 Ų102132.1 Ų132.184%0.84373%0.725SS**  trans-84.617.6179.100000113.8F32F32-A34 PolarHBondContact O-N 3Å
35T70.6Confident70.4Confident102 Ų102126.8 Ų126.863%0.62670%0.704SS**SBendtrans-82.7129.4176.150.60000109.9H33 V37H33-T35 PolarHBondContact ND1-OG1 3.46Å; H33-T35 PolarHBondContact O-N 3.34Å; T35-V37 PolarHBondContact O-N 3.34Å
36A69.9Low72.9Confident96 Ų96123.1 Ų123.179%0.79368%0.684SS**  trans-50.7131.7175.200000111.2C38A36-C38 PolarHBondContact O-N 2.96Å
37V73.6Confident75.1Confident126 Ų126126.8 Ų126.876%0.76468%0.682SS**  trans-63.5106.3177.4179.40000108.3T35 C39T35-V37 PolarHBondContact O-N 3.34Å; V37-C39 PolarHBondContact O-N 2.94Å
38C71.1Confident77.1Confident95 Ų95125.4 Ų125.464%0.64268%0.681SS**  trans-73.594.2174.7-160.30000108.4A36 K40A36-C38 PolarHBondContact O-N 2.96Å; C38-K40 PolarHBondContact O-N 2.8Å
39C79.2Confident78.7Confident114 Ų114120.9 Ų120.977%0.7768%0.675SS**  trans-69.670.6179.2-68.80000111.8V37V37-C39 PolarHBondContact O-N 2.94Å
40K86.8Confident80.4Confident155 Ų155124.6 Ų124.667%0.67468%0.677SS**  trans-71.5137.2175.8-63-178.4-178.2-179.40110.4C38 R42C38-K40 PolarHBondContact O-N 2.8Å; K40-R42 WeakPolarHBondContact O-CG 3.5Å; K40-R42 PolarHBondContact O-N 2.8Å
41N90.2Very high81.9Confident123 Ų123116.8 Ų116.866%0.65866%0.657SS**  trans-61.4124.6174.5-70.5-25.5000111.3R45N41-R45 WeakPolarHBondContact O-CD 3.44Å
42R90.7Very high83.3Confident180 Ų180117.3 Ų117.368%0.67965%0.652SS**  trans-115.1-15.5-177.7-63.8-177.2-175.3-175.93.8114.8K40 A44 R45K40-R42 WeakPolarHBondContact O-CG 3.5Å; K40-R42 PolarHBondContact O-N 2.8Å; R42-A44 PolarHBondContact O-N 3.39Å; R42-R45 PolarHBondContact O-N 3.24Å
43A93.3Very high84.7Confident75 Ų75114.2 Ų114.262%0.6264%0.638SS**THydrogen-bonded Turntrans-60.4122.2-173.900000112.1R45 P63A43-R45 WeakPolarHBondContact O-CG 3.37Å; A43-R45 PolarHBondContact O-N 3.34Å; A43-R45 VanDerWaalsContact O-N 3.14Å; A43-P63 WeakPolarHBondContact O-CG 3.47Å
44A93.4Very high86.5Confident77 Ų77109.6 Ų109.664%0.63662%0.623SS**THydrogen-bonded Turntrans45.742.7179.800000113.6R42 P63R42-A44 PolarHBondContact O-N 3.39Å; A44-P63 HydrophobicContact CB-CG 3.77Å
45R93.2Very high87.7Confident95 Ų95105 Ų10536%0.35858%0.584SS.*  trans-119.1127.6173.3-67.4-178.1-175.3-154.6-2109.5N41 R42 A43N41-R45 WeakPolarHBondContact O-CD 3.44Å; R42-R45 PolarHBondContact O-N 3.24Å; A43-R45 WeakPolarHBondContact O-CG 3.37Å; A43-R45 PolarHBondContact O-N 3.34Å; A43-R45 VanDerWaalsContact O-N 3.14Å
46I93.1Very high88.9Confident51 Ų51100.3 Ų100.326%0.26256%0.555SS.*PPolyproline II helixtrans-90126.4171.9-59.5176.3000107.8K53 L55 Q59I46-K53 HydrophobicContact CG2-CD 4.33Å; I46-L55 HydrophobicContact CB-CD1 4.27Å; I46-L55 HydrophobicContact CD1-CD1 4.14Å; I46-L55 HydrophobicContact CD1-CD2 3.45Å; I46-L55 VanDerWaalsContact CD1-CD2 3.45Å; I46-L55 HydrophobicContact CD1-CG 4.42Å; I46-L55 HydrophobicContact CG2-CD1 4.32Å; I46-L55 HydrophobicContact CG2-CD2 4.18Å; I46-Q59 HydrophobicContact CD1-CB 3.79Å; I46-Q59 HydrophobicContact CD1-CG 4.45Å
47R91Very high90.2Very high183 Ų183100.1 Ų100.169%0.69154%0.535SS*.PPolyproline II helixtrans-68.6143179.1-69-174178.8176.91.1110.6
48I91.4Very high91.2Very high151 Ų15196.1 Ų96.177%0.77451%0.507SS*.PPolyproline II helixtrans-70.7133.8176.5-56.9164.6000109.3V171I48-V171 VanDerWaalsContact CA-CG1 3.49Å; I48-V171 HydrophobicContact CB-CG1 4.05Å; I48-V171 HydrophobicContact CG1-CG1 3.88Å; I48-V171 HydrophobicContact CG2-CG1 4.21Å
49G90.4Very high92.3Very high56 Ų5694.8 Ų94.858%0.57749%0.492SS*.  trans-118.2-138.9177.400000110.6G51 V171G49-G51 VanDerWaalsContact C-N 3.33Å; G49-V171 WeakPolarHBondContact CA-OXT 3.26Å; G49-V171 PolarHBondContact N-OXT 3.06Å
50K92.6Very high93Very high190 Ų19089.6 Ų89.683%0.82646%0.457SS*.SBendtrans-80.6-11.7-178.4-169175.1172.1-163.80113.4D52K50-D52 WeakPolarHBondContact CD-OD2 3.39Å
51G91.9Very high93.4Very high31 Ų3182.6 Ų82.632%0.3243%0.427SS..SBendtrans96.410.9-171.400000114.3G49 Y170 V171G49-G51 VanDerWaalsContact C-N 3.33Å; G51-Y170 VanDerWaalsContact O-CB 3.32Å; G51-Y170 WeakPolarHBondContact O-CB 3.28Å; G51-V171 CarbonylContact C-O 3.54Å; G51-V171 VanDerWaalsContact CA-C 3.43Å; G51-V171 WeakPolarHBondContact CA-O 3.38Å; G51-V171 PolarHBondContact N-O 3.48Å; G51-V171 PolarHBondContact N-OXT 3.09Å
52D94.3Very high93.7Very high115 Ų11579.5 Ų79.562%0.61541%0.408SS*.  trans-94.7-10.8-179-58.3-34.8000112.5K50 P54 V171K50-D52 WeakPolarHBondContact CD-OD2 3.39Å; D52-P54 VanDerWaalsContact O-CD 3.27Å; D52-P54 WeakPolarHBondContact O-CD 3.27Å; D52-V171 PolarHBondContact N-O 3.01Å
53K94.7Very high94Very high117 Ų11773.4 Ų73.451%0.50939%0.392SS..  trans-89.7113.9-172.3-172.1176.5179173.40111.1I46 L55 Y170 V171I46-K53 HydrophobicContact CG2-CD 4.33Å; K53-L55 HydrophobicContact CD-CD2 4.35Å; K53-L55 HydrophobicContact CG-CD2 4.23Å; K53-Y170 WeakPolarHBondContact O-CA 3.23Å; K53-V171 VanDerWaalsContact CB-O 3.26Å; K53-V171 WeakPolarHBondContact CB-O 3.32Å; K53-V171 PolarHBondContact N-O 3.14Å; K53-V171 PolarHBondContact O-N 2.75Å; K53-V171 VanDerWaalsContact O-N 3.09Å
54P95.7Very high94.1Very high68 Ų6875.2 Ų75.244%0.44239%0.388SS..EExtended strand (participates in β ladder)trans-73.2131176.428.7-33.3000110.8D52 V167 Y170D52-P54 VanDerWaalsContact O-CD 3.27Å; D52-P54 WeakPolarHBondContact O-CD 3.27Å; P54-V167 HydrophobicContact CB-CG1 3.8Å; P54-V167 HydrophobicContact CB-CG2 3.85Å; P54-Y170 HydrophobicContact CB-CD1 4.14Å; P54-Y170 HydrophobicContact CB-CE1 3.71Å; P54-Y170 HydrophobicContact CG-CE1 4.47Å
55L95.4Very high94.2Very high4 Ų473 Ų732%0.02136%0.364CS..EExtended strand (participates in β ladder)trans-117.6143.2175.9-60.6-172.9000111.7I46 K53 A60 Y168 K169 V171I46-L55 HydrophobicContact CB-CD1 4.27Å; I46-L55 HydrophobicContact CD1-CD1 4.14Å; I46-L55 HydrophobicContact CD1-CD2 3.45Å; I46-L55 VanDerWaalsContact CD1-CD2 3.45Å; I46-L55 HydrophobicContact CD1-CG 4.42Å; I46-L55 HydrophobicContact CG2-CD1 4.32Å; I46-L55 HydrophobicContact CG2-CD2 4.18Å; K53-L55 HydrophobicContact CD-CD2 4.35Å; K53-L55 HydrophobicContact CG-CD2 4.23Å; L55-A60 HydrophobicContact CB-CB 4.3Å; L55-Y168 PolarHBondContact O-N 3.38Å; L55-K169 HydrophobicContact CB-CG 4.42Å; L55-K169 PolarHBondContact N-O 2.99Å; L55-K169 PolarHBondContact O-N 3.26Å; L55-V171 HydrophobicContact CD1-CB 3.85Å; L55-V171 HydrophobicContact CD1-CG1 4.44Å; L55-V171 HydrophobicContact CD1-CG2 3.52Å; L55-V171 HydrophobicContact CG-CB 4.36Å; L55-V171 HydrophobicContact CG-CG2 4.26Å
56T95.9Very high94.4Very high5 Ų572 Ų723%0.03137%0.365CS..  trans-80.2162.2170.361.60000110.4E58 Q59 A60 N110 K165T56-E58 VanDerWaalsContact C-N 3.26Å; T56-E58 PolarHBondContact O-N 2.91Å; T56-Q59 PolarHBondContact O-N 3.2Å; T56-Q59 VanDerWaalsContact O-N 3.1Å; T56-Q59 WeakPolarHBondContact OG1-CB 3.29Å; T56-Q59 VanDerWaalsContact OG1-CG 3.29Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.42Å; T56-Q59 PolarHBondContact OG1-N 3.16Å; T56-A60 VanDerWaalsContact O-CB 3.22Å; T56-A60 WeakPolarHBondContact O-CB 3.44Å; T56-A60 PolarHBondContact O-N 2.68Å; T56-N110 WeakPolarHBondContact CG2-OD1 3.46Å; T56-K165 HydrophobicContact CG2-CD 4.22Å; T56-K165 HydrophobicContact CG2-CG 4.03Å
57Y96.1Very high94.6Very high92 Ų9272.7 Ų72.736%0.36138%0.379SS..Hα-helixtrans-52.1-45.9176.4-177.1-99.6000112.3Q59 A60 L61 R69 Y168Y57-Q59 VanDerWaalsContact C-N 3.35Å; Y57-Q59 PolarHBondContact O-N 3.12Å; Y57-A60 PolarHBondContact O-N 2.68Å; Y57-L61 HydrophobicContact CD1-CD1 4.1Å; Y57-L61 HydrophobicContact CD2-CD1 4.07Å; Y57-L61 HydrophobicContact CE1-CD1 3.56Å; Y57-L61 HydrophobicContact CE2-CD1 3.54Å; Y57-L61 HydrophobicContact CG-CD1 4.33Å; Y57-L61 WeakPolarHBondContact OH-CD1 3.22Å; Y57-R69 PolarHBondContact OH-O 2.9Å; Y57-Y168 HydrophobicContact CD2-CD1 4.33Å; Y57-Y168 AromaticContact CD2-CD2 3.9Å; Y57-Y168 HydrophobicContact CD2-CD2 3.9Å; Y57-Y168 HydrophobicContact CD2-CE1 4.33Å; Y57-Y168 AromaticContact CD2-CE2 3.91Å; Y57-Y168 HydrophobicContact CD2-CE2 3.91Å; Y57-Y168 HydrophobicContact CD2-CG 4.11Å; Y57-Y168 HydrophobicContact CE2-CE2 4.32Å
58E94.1Very high94.9Very high41 Ų4171.8 Ų71.819%0.19238%0.382CS..Hα-helixtrans-63.7-37.8179.3-71.8-58.5141.700112.8T56 K70T56-E58 VanDerWaalsContact C-N 3.26Å; T56-E58 PolarHBondContact O-N 2.91Å; E58-K70 VanDerWaalsContact O-CE 3.28Å; E58-K70 WeakPolarHBondContact O-CE 3.49Å; E58-K70 PolarHBondContact O-NZ 3.18Å; E58-K70 WeakPolarHBondContact OE2-CE 3.28Å; E58-K70 IonicContact OE2-NZ 2.68Å; E58-K70 PolarHBondContact OE2-NZ 2.96Å
59Q94.6Very high95.1Very high68 Ų6872 Ų7232%0.31837%0.373SS..Hα-helixtrans-80-26.8-179.5-71.4179.5-15.800113.4I46 T56 Y57I46-Q59 HydrophobicContact CD1-CB 3.79Å; I46-Q59 HydrophobicContact CD1-CG 4.45Å; T56-Q59 PolarHBondContact O-N 3.2Å; T56-Q59 VanDerWaalsContact O-N 3.1Å; T56-Q59 WeakPolarHBondContact OG1-CB 3.29Å; T56-Q59 VanDerWaalsContact OG1-CG 3.29Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.42Å; T56-Q59 PolarHBondContact OG1-N 3.16Å; Y57-Q59 VanDerWaalsContact C-N 3.35Å; Y57-Q59 PolarHBondContact O-N 3.12Å
60A94.9Very high95.4Very high4 Ų470.8 Ų70.83%0.03335%0.352CS..Hα-helixtrans-76.9-22.1-174.400000114.3L55 T56 Y57 Y168 K169L55-A60 HydrophobicContact CB-CB 4.3Å; T56-A60 VanDerWaalsContact O-CB 3.22Å; T56-A60 WeakPolarHBondContact O-CB 3.44Å; T56-A60 PolarHBondContact O-N 2.68Å; Y57-A60 PolarHBondContact O-N 2.68Å; A60-Y168 HydrophobicContact CB-CD1 3.59Å; A60-Y168 HydrophobicContact CB-CE1 4.12Å; A60-K169 HydrophobicContact CB-CD 3.88Å; A60-K169 VanDerWaalsContact CB-CE 3.45Å; A60-K169 HydrophobicContact CB-CG 4Å; A60-K169 PolarHBondContact O-NZ 3.26Å
61L95.4Very high95.6Very high9 Ų963.9 Ų63.95%0.04734%0.335CS..SBendtrans-105.2141.3-172.8-68172.5000111.1Y57 R69 K70Y57-L61 HydrophobicContact CD1-CD1 4.1Å; Y57-L61 HydrophobicContact CD2-CD1 4.07Å; Y57-L61 HydrophobicContact CE1-CD1 3.56Å; Y57-L61 HydrophobicContact CE2-CD1 3.54Å; Y57-L61 HydrophobicContact CG-CD1 4.33Å; Y57-L61 WeakPolarHBondContact OH-CD1 3.22Å; L61-R69 HydrophobicContact CD1-CB 3.96Å; L61-K70 HydrophobicContact CB-CD 3.4Å; L61-K70 VanDerWaalsContact CB-CD 3.4Å; L61-K70 HydrophobicContact CB-CG 3.63Å; L61-K70 HydrophobicContact CD1-CD 4.15Å; L61-K70 HydrophobicContact CD1-CG 3.46Å; L61-K70 VanDerWaalsContact CD1-CG 3.46Å; L61-K70 HydrophobicContact CG-CD 4.43Å; L61-K70 HydrophobicContact CG-CG 4.2Å
62H95.1Very high95.8Very high57 Ų5770.2 Ų70.226%0.26435%0.349SS..  trans-86.4162.9-172.4-63.5160000112.7H64 Q65H62-H64 VanDerWaalsContact C-N 3.32Å; H62-H64 WeakPolarHBondContact CB-CE1 3.39Å; H62-H64 AromaticContact CG-CE1 3.86Å; H62-H64 AromaticContact ND1-CE1 3.6Å; H62-H64 PolarHBondContact O-N 3.42Å; H62-Q65 WeakPolarHBondContact O-CB 3.22Å; H62-Q65 PolarHBondContact O-N 3.41Å
63P96.9Very high96Very high53 Ų5366.4 Ų66.434%0.34433%0.329SS..G310 helixtrans-57.2-35.9-177-31.538.7000115.9A43 A44 Q65 I66A43-P63 WeakPolarHBondContact O-CG 3.47Å; A44-P63 HydrophobicContact CB-CG 3.77Å; P63-Q65 PolarHBondContact O-N 3.38Å; P63-Q65 VanDerWaalsContact O-N 3.12Å; P63-I66 WeakPolarHBondContact O-CB 3.28Å; P63-I66 WeakPolarHBondContact O-CD1 3.12Å; P63-I66 WeakPolarHBondContact O-CG1 3.49Å; P63-I66 PolarHBondContact O-N 2.9Å; P63-I66 VanDerWaalsContact O-N 3.16Å
64H95.4Very high96.1Very high112 Ų11261.9 Ų61.952%0.51931%0.312SS..G310 helixtrans-70.5-4.4178.559.4-90.1000113.5H62H62-H64 VanDerWaalsContact C-N 3.32Å; H62-H64 WeakPolarHBondContact CB-CE1 3.39Å; H62-H64 AromaticContact CG-CE1 3.86Å; H62-H64 AromaticContact ND1-CE1 3.6Å; H62-H64 PolarHBondContact O-N 3.42Å
65Q96.5Very high96.2Very high32 Ų3263.5 Ų63.515%0.1531%0.314CS..G310 helixtrans-98.92176.1-58.8177-4300112.3H62 P63 H68 R69 K70H62-Q65 WeakPolarHBondContact O-CB 3.22Å; H62-Q65 PolarHBondContact O-N 3.41Å; P63-Q65 PolarHBondContact O-N 3.38Å; P63-Q65 VanDerWaalsContact O-N 3.12Å; Q65-H68 PolarHBondContact O-N 3.1Å; Q65-R69 HydrophobicContact CB-CB 4.42Å; Q65-R69 PolarHBondContact O-N 3.29Å; Q65-K70 PolarHBondContact O-N 2.82Å; Q65-K70 VanDerWaalsContact O-N 3.08Å
66I97.4Very high96.2Very high72 Ų7265.2 Ų65.237%0.36932%0.321SS..BIsolated β-bridgetrans-62.3138.6167.9-62.7169.2000108.1P63 H68P63-I66 WeakPolarHBondContact O-CB 3.28Å; P63-I66 WeakPolarHBondContact O-CD1 3.12Å; P63-I66 WeakPolarHBondContact O-CG1 3.49Å; P63-I66 PolarHBondContact O-N 2.9Å; P63-I66 VanDerWaalsContact O-N 3.16Å; I66-H68 PolarHBondContact O-N 3.41Å
67A96.4Very high96.2Very high67 Ų6767.8 Ų67.855%0.55434%0.343SS*.THydrogen-bonded Turntrans68.4-8.5-170.600000116.3K70 W72A67-K70 PolarHBondContact N-O 3.07Å; A67-W72 HydrophobicContact CB-CH2 3.86Å; A67-W72 HydrophobicContact CB-CZ2 3.85Å
68H97.1Very high96.2Very high163 Ų16364 Ų6476%0.75533%0.33SS*.THydrogen-bonded Turntrans-102.6-52.4174.2-66.1-82.7000112.8Q65 I66Q65-H68 PolarHBondContact O-N 3.1Å; I66-H68 PolarHBondContact O-N 3.41Å
69R96.4Very high96.3Very high157 Ų15767.5 Ų67.559%0.59235%0.35SS*.THydrogen-bonded Turntrans-116.9-33.8179-63-177.3178.1179.9-1.4111.1Y57 L61 Q65Y57-R69 PolarHBondContact OH-O 2.9Å; L61-R69 HydrophobicContact CD1-CB 3.96Å; Q65-R69 HydrophobicContact CB-CB 4.42Å; Q65-R69 PolarHBondContact O-N 3.29Å
70K96.3Very high96.4Very high29 Ų2969.7 Ų69.713%0.12636%0.363CS..BIsolated β-bridgetrans-106144.9-179.9-46.9-175.284.5-159.70111E58 L61 Q65 A67E58-K70 VanDerWaalsContact O-CE 3.28Å; E58-K70 WeakPolarHBondContact O-CE 3.49Å; E58-K70 PolarHBondContact O-NZ 3.18Å; E58-K70 WeakPolarHBondContact OE2-CE 3.28Å; E58-K70 IonicContact OE2-NZ 2.68Å; E58-K70 PolarHBondContact OE2-NZ 2.96Å; L61-K70 HydrophobicContact CB-CD 3.4Å; L61-K70 VanDerWaalsContact CB-CD 3.4Å; L61-K70 HydrophobicContact CB-CG 3.63Å; L61-K70 HydrophobicContact CD1-CD 4.15Å; L61-K70 HydrophobicContact CD1-CG 3.46Å; L61-K70 VanDerWaalsContact CD1-CG 3.46Å; L61-K70 HydrophobicContact CG-CD 4.43Å; L61-K70 HydrophobicContact CG-CG 4.2Å; Q65-K70 PolarHBondContact O-N 2.82Å; Q65-K70 VanDerWaalsContact O-N 3.08Å; A67-K70 PolarHBondContact N-O 3.07Å
71G96.7Very high96.4Very high46 Ų4679.8 Ų79.847%0.47441%0.407SS..  trans-85.7-163.2167.800000112.8
72W97.4Very high96.4Very high163 Ų16383 Ų8362%0.61744%0.441SS*.  trans-104.5139.5172.8-61.4-87.1000111.1A67A67-W72 HydrophobicContact CB-CH2 3.86Å; A67-W72 HydrophobicContact CB-CZ2 3.85Å
73L97.4Very high96.5Very high35 Ų3585.6 Ų85.618%0.18345%0.454CS..SBendtrans-81.5-17.1178.2-63.6172000113.4E111 V113 I114L73-E111 HydrophobicContact CD1-CB 4Å; L73-E111 WeakPolarHBondContact CD1-OE2 3.5Å; L73-V113 HydrophobicContact CD2-CG2 3.98Å; L73-V113 CarbonylContact O-C 3.53Å; L73-V113 WeakPolarHBondContact O-CA 3.45Å; L73-I114 PolarHBondContact O-N 3.08Å
74S97.4Very high96.4Very high23 Ų2391.2 Ų91.216%0.16148%0.475CS..EExtended strand (participates in β ladder)trans-124.3130.6171.2-179.30000109.2H76 D93 I114S74-H76 PolarHBondContact OG-ND1 3.18Å; S74-D93 WeakPolarHBondContact CB-OD2 3.24Å; S74-D93 PolarHBondContact OG-OD2 3.28Å; S74-I114 WeakPolarHBondContact CA-O 3.27Å
75Q96.9Very high96.3Very high102 Ų10287.3 Ų87.348%0.47747%0.465SS..EExtended strand (participates in β ladder)trans-121.7116178.7-64.4179.9-7.800109.2I114 R116Q75-I114 PolarHBondContact N-O 2.94Å; Q75-R116 PolarHBondContact O-N 2.91Å
76H96.4Very high96.2Very high40 Ų4087.1 Ų87.119%0.18547%0.469CS..  trans-154.6160178.157.2-104.4000110.2S74 S78 N79 D93 R116S74-H76 PolarHBondContact OG-ND1 3.18Å; H76-S78 PolarHBondContact CD2-OG 2.61Å; H76-S78 PolarHBondContact NE2-OG 2.79Å; H76-N79 PolarHBondContact NE2-ND2 2.79Å; H76-D93 IonicContact ND1-OD2 2.66Å; H76-R116 HydrophobicContact CB-CB 4.26Å; H76-R116 HydrophobicContact CB-CG 4.49Å
77A95.9Very high96.2Very high58 Ų5887.3 Ų87.348%0.47948%0.481SS..SBendtrans-81.3-21.7-175.800000114.2N79 L80 E83A77-N79 PolarHBondContact O-N 3.44Å; A77-L80 HydrophobicContact CB-CD1 4.35Å; A77-L80 VanDerWaalsContact O-CB 3.3Å; A77-L80 WeakPolarHBondContact O-CB 3.38Å; A77-L80 VanDerWaalsContact O-CG 3.27Å; A77-L80 WeakPolarHBondContact O-CG 3.48Å; A77-L80 PolarHBondContact O-N 3.02Å; A77-E83 WeakPolarHBondContact O-CG 2.92Å
78S95.2Very high96.2Very high13 Ų1390.4 Ų90.49%0.09148%0.484CS..THydrogen-bonded Turntrans-64-13.3-169.454.20000116.7H76 Q84H76-S78 PolarHBondContact CD2-OG 2.61Å; H76-S78 PolarHBondContact NE2-OG 2.79Å; S78-Q84 WeakPolarHBondContact CB-O 3.16Å
79N96.2Very high96.1Very high114 Ų11486.9 Ų86.961%0.6147%0.465SS*.THydrogen-bonded Turntrans-89.1-1.2174-72.2-22.1000113.3H76 A77 A86H76-N79 PolarHBondContact NE2-ND2 2.79Å; A77-N79 PolarHBondContact O-N 3.44Å; N79-A86 WeakPolarHBondContact OD1-CB 2.87Å
80L96.5Very high96.1Very high114 Ų11482.8 Ų82.860%0.59746%0.457SS*.SBendtrans-73.8155.2175.4-62.2174.3000110.7A77 G82 E83A77-L80 HydrophobicContact CB-CD1 4.35Å; A77-L80 VanDerWaalsContact O-CB 3.3Å; A77-L80 WeakPolarHBondContact O-CB 3.38Å; A77-L80 VanDerWaalsContact O-CG 3.27Å; A77-L80 WeakPolarHBondContact O-CG 3.48Å; A77-L80 PolarHBondContact O-N 3.02Å; L80-G82 PolarHBondContact O-N 3.15Å; L80-E83 HydrophobicContact CB-CG 3.84Å; L80-E83 WeakPolarHBondContact O-CB 3.3Å; L80-E83 PolarHBondContact O-N 2.98Å; L80-E83 VanDerWaalsContact O-N 3.15Å
81K96.5Very high96.2Very high217 Ų21786.4 Ų86.494%0.94348%0.481SS*.THydrogen-bonded Turntrans-62121.6-179.2-177.8-178.4177.6-176.90110.1
82G95.1Very high96.2Very high75 Ų7585.6 Ų85.677%0.77347%0.465SS*.THydrogen-bonded Turntrans92.1-6.1178.100000114.5L80L80-G82 PolarHBondContact O-N 3.15Å
83E96.1Very high96.2Very high113 Ų11378.1 Ų78.153%0.52844%0.437SS..  trans-83.1159.7175.2-64.5-63.6149.700111.9A77 L80A77-E83 WeakPolarHBondContact O-CG 2.92Å; L80-E83 HydrophobicContact CB-CG 3.84Å; L80-E83 WeakPolarHBondContact O-CB 3.3Å; L80-E83 PolarHBondContact O-N 2.98Å; L80-E83 VanDerWaalsContact O-N 3.15Å
84Q94.9Very high96.2Very high170 Ų17079.6 Ų79.679%0.79445%0.448SS*.  trans-121.3170.9-177.8-61.1-176.66.900111.5S78S78-Q84 WeakPolarHBondContact CB-O 3.16Å
85G93.3Very high96.3Very high30 Ų3082.3 Ų82.331%0.30946%0.457SS..  trans81.311.2173.300000115.8A87 E88 R89G85-A87 VanDerWaalsContact C-N 3.27Å; G85-A87 PolarHBondContact O-N 3.27Å; G85-E88 PolarHBondContact O-N 2.71Å; G85-R89 WeakPolarHBondContact O-CG 3.35Å; G85-R89 PolarHBondContact O-N 3.21Å; G85-R89 VanDerWaalsContact O-N 3.15Å
86A95.6Very high96.3Very high29 Ų2977.4 Ų77.424%0.2443%0.434CS..Hα-helixtrans-58.1-37.4-179.900000113.6N79 T90N79-A86 WeakPolarHBondContact OD1-CB 2.87Å; A86-T90 WeakPolarHBondContact O-CB 3.32Å; A86-T90 PolarHBondContact O-N 3.05Å; A86-T90 PolarHBondContact O-OG1 3.41Å
87A96.6Very high96.4Very high75 Ų7579.1 Ų79.162%0.6244%0.439SS*.Hα-helixtrans-63.2-48.617900000111.6G85 R89 T90 V91G85-A87 VanDerWaalsContact C-N 3.27Å; G85-A87 PolarHBondContact O-N 3.27Å; A87-R89 PolarHBondContact O-N 3.33Å; A87-T90 WeakPolarHBondContact O-CB 3.5Å; A87-T90 PolarHBondContact O-N 2.86Å; A87-T90 VanDerWaalsContact O-N 3.16Å; A87-V91 WeakPolarHBondContact O-CG2 3.3Å; A87-V91 PolarHBondContact O-N 3.33Å
88E95.4Very high96.5Very high132 Ų13285.4 Ų85.462%0.61745%0.45SS*.Hα-helixtrans-59.8-48.2178.4-63.9173.6-177.100110.9G85 T90 V91 E92G85-E88 PolarHBondContact O-N 2.71Å; E88-T90 PolarHBondContact O-N 2.87Å; E88-V91 PolarHBondContact O-N 3.38Å; E88-E92 WeakPolarHBondContact O-CG 3.39Å; E88-E92 PolarHBondContact O-N 2.82Å
89R95.9Very high96.6Very high90 Ų9086.2 Ų86.234%0.3445%0.452SS..Hα-helixtrans-60.4-33.7177.5-59.9-44.8178.8179.2-4.8112.7G85 A87 E92 D93 R116G85-R89 WeakPolarHBondContact O-CG 3.35Å; G85-R89 PolarHBondContact O-N 3.21Å; G85-R89 VanDerWaalsContact O-N 3.15Å; A87-R89 PolarHBondContact O-N 3.33Å; R89-E92 VanDerWaalsContact CD-OE2 3.23Å; R89-E92 WeakPolarHBondContact CD-OE2 3.41Å; R89-E92 IonicContact CZ-OE1 2.8Å; R89-E92 IonicContact CZ-OE2 3.92Å; R89-E92 VanDerWaalsContact NH1-CD 3.35Å; R89-E92 IonicContact NH1-OE1 3.27Å; R89-E92 PolarHBondContact NH1-OE1 3.11Å; R89-E92 IonicContact NH1-OE2 3.01Å; R89-E92 PolarHBondContact NH1-OE2 2.99Å; R89-D93 VanDerWaalsContact O-CB 3.28Å; R89-D93 WeakPolarHBondContact O-CB 3.39Å; R89-D93 PolarHBondContact O-N 3.34Å; R89-R116 PolarHBondContact O-NH2 2.85Å
90T96.9Very high96.7Very high70 Ų7080.8 Ų80.843%0.42942%0.423SS..Hα-helixtrans-69-40.8176-56.30000111.6A86 A87 E88 D93 V94A86-T90 WeakPolarHBondContact O-CB 3.32Å; A86-T90 PolarHBondContact O-N 3.05Å; A86-T90 PolarHBondContact O-OG1 3.41Å; A87-T90 WeakPolarHBondContact O-CB 3.5Å; A87-T90 PolarHBondContact O-N 2.86Å; A87-T90 VanDerWaalsContact O-N 3.16Å; E88-T90 PolarHBondContact O-N 2.87Å; T90-D93 PolarHBondContact O-N 2.75Å; T90-V94 WeakPolarHBondContact O-CG2 3.48Å; T90-V94 PolarHBondContact O-N 2.8Å
91V97.9Very high96.7Very high105 Ų10581.7 Ų81.764%0.63642%0.422SS*.Hα-helixtrans-63.6-46.9175.7174.40000110.7A87 E88 D93 V94 F95A87-V91 WeakPolarHBondContact O-CG2 3.3Å; A87-V91 PolarHBondContact O-N 3.33Å; E88-V91 PolarHBondContact O-N 3.38Å; V91-D93 VanDerWaalsContact C-N 3.31Å; V91-D93 PolarHBondContact O-N 2.94Å; V91-V94 PolarHBondContact O-N 3.11Å; V91-F95 PolarHBondContact O-N 3.3Å
92E97Very high96.7Very high30 Ų3073.7 Ų73.714%0.1440%0.401CS..Hα-helixtrans-55.6-47.1175.2-67.2173.9-179.600111.4E88 R89 V94 F95 I96 R116 Y151E88-E92 WeakPolarHBondContact O-CG 3.39Å; E88-E92 PolarHBondContact O-N 2.82Å; R89-E92 VanDerWaalsContact CD-OE2 3.23Å; R89-E92 WeakPolarHBondContact CD-OE2 3.41Å; R89-E92 IonicContact CZ-OE1 2.8Å; R89-E92 IonicContact CZ-OE2 3.92Å; R89-E92 VanDerWaalsContact NH1-CD 3.35Å; R89-E92 IonicContact NH1-OE1 3.27Å; R89-E92 PolarHBondContact NH1-OE1 3.11Å; R89-E92 IonicContact NH1-OE2 3.01Å; R89-E92 PolarHBondContact NH1-OE2 2.99Å; E92-V94 PolarHBondContact O-N 2.95Å; E92-F95 WeakPolarHBondContact O-CB 3.5Å; E92-F95 PolarHBondContact O-N 3.39Å; E92-I96 WeakPolarHBondContact O-CD1 3.27Å; E92-I96 VanDerWaalsContact O-CG1 3.23Å; E92-I96 WeakPolarHBondContact O-CG1 3.47Å; E92-I96 PolarHBondContact O-N 3.38Å; E92-R116 IonicContact OE2-CZ 3.62Å; E92-R116 IonicContact OE2-NE 3.14Å; E92-R116 PolarHBondContact OE2-NE 2.94Å; E92-R116 IonicContact OE2-NH2 3.98Å; E92-R116 PolarHBondContact OE2-NH2 2.79Å; E92-Y151 WeakPolarHBondContact CA-OH 3.29Å; E92-Y151 HydrophobicContact CB-CE1 4.2Å; E92-Y151 HydrophobicContact CG-CD1 4.18Å; E92-Y151 HydrophobicContact CG-CE1 3.63Å
93D97.4Very high96.7Very high6 Ų671.5 Ų71.53%0.03237%0.373CS..Hα-helixtrans-62.1-41.5-179.2-84.7-1.3000113.1S74 H76 R89 T90 V91 R97 I114 R116S74-D93 WeakPolarHBondContact CB-OD2 3.24Å; S74-D93 PolarHBondContact OG-OD2 3.28Å; H76-D93 IonicContact ND1-OD2 2.66Å; R89-D93 VanDerWaalsContact O-CB 3.28Å; R89-D93 WeakPolarHBondContact O-CB 3.39Å; R89-D93 PolarHBondContact O-N 3.34Å; T90-D93 PolarHBondContact O-N 2.75Å; V91-D93 VanDerWaalsContact C-N 3.31Å; V91-D93 PolarHBondContact O-N 2.94Å; D93-R97 VanDerWaalsContact O-CG 3.32Å; D93-R97 WeakPolarHBondContact O-CG 3.39Å; D93-R97 PolarHBondContact O-N 3.48Å; D93-R97 VanDerWaalsContact O-N 3.15Å; D93-R97 PolarHBondContact O-NH1 3.48Å; D93-I114 HydrophobicContact CB-CD1 4.22Å; D93-R116 IonicContact OD1-CZ 3.76Å; D93-R116 IonicContact OD1-NH1 3.43Å; D93-R116 PolarHBondContact OD1-NH1 3.03Å; D93-R116 IonicContact OD1-NH2 2.86Å; D93-R116 PolarHBondContact OD1-NH2 3.16Å; D93-R116 IonicContact OD2-NH1 2.76Å
94V98.1Very high96.7Very high66 Ų6666.1 Ų66.140%0.435%0.348SS..Hα-helixtrans-67.5-41.6176.5172.90000110.3T90 V91 E92 R97 R98T90-V94 WeakPolarHBondContact O-CG2 3.48Å; T90-V94 PolarHBondContact O-N 2.8Å; V91-V94 PolarHBondContact O-N 3.11Å; E92-V94 PolarHBondContact O-N 2.95Å; V94-R97 PolarHBondContact O-N 2.97Å; V94-R98 WeakPolarHBondContact O-CG 3.23Å; V94-R98 PolarHBondContact O-N 3.3Å; V94-R98 VanDerWaalsContact O-N 3.14Å
95F98.2Very high96.6Very high79 Ų7965 Ų6535%0.34634%0.342SS..Hα-helixtrans-61.3-50.9176175.7-90.7000111.5V91 E92 R97 R98 F99 L147 F150 Y151V91-F95 PolarHBondContact O-N 3.3Å; E92-F95 WeakPolarHBondContact O-CB 3.5Å; E92-F95 PolarHBondContact O-N 3.39Å; F95-R97 VanDerWaalsContact C-N 3.28Å; F95-R97 PolarHBondContact O-N 3.07Å; F95-R98 PolarHBondContact O-N 3.04Å; F95-R98 VanDerWaalsContact O-N 3.11Å; F95-F99 HydrophobicContact CD1-CB 4.45Å; F95-F99 HydrophobicContact CE1-CB 4.18Å; F95-F99 HydrophobicContact CE1-CG 4.49Å; F95-F99 WeakPolarHBondContact O-CB 3.21Å; F95-F99 PolarHBondContact O-N 3.49Å; F95-L147 HydrophobicContact CE1-CD2 3.95Å; F95-F150 HydrophobicContact CE1-CD1 4.48Å; F95-F150 HydrophobicContact CE1-CE1 4.36Å; F95-F150 HydrophobicContact CZ-CE1 4.44Å; F95-Y151 HydrophobicContact CD1-CE2 4.22Å; F95-Y151 AromaticContact CD1-CZ 3.95Å; F95-Y151 WeakPolarHBondContact CD1-OH 3.35Å; F95-Y151 HydrophobicContact CE1-CE2 4.45Å
96I97.8Very high96.6Very high0 Ų065.2 Ų65.20%035%0.345CS..Hα-helixtrans-57.8-43.1-178.8-68.6157.9000110.4E92 R98 F99 M100 I114 L121 V123 Y151E92-I96 WeakPolarHBondContact O-CD1 3.27Å; E92-I96 VanDerWaalsContact O-CG1 3.23Å; E92-I96 WeakPolarHBondContact O-CG1 3.47Å; E92-I96 PolarHBondContact O-N 3.38Å; I96-R98 PolarHBondContact O-N 2.84Å; I96-F99 PolarHBondContact O-N 3.45Å; I96-M100 HydrophobicContact CG2-CG 4.16Å; I96-M100 WeakPolarHBondContact O-CB 3.44Å; I96-M100 WeakPolarHBondContact O-CG 3.42Å; I96-M100 PolarHBondContact O-N 3.24Å; I96-I114 HydrophobicContact CB-CD1 4.16Å; I96-I114 HydrophobicContact CD1-CD1 4.49Å; I96-I114 HydrophobicContact CG2-CD1 4.01Å; I96-I114 HydrophobicContact CG2-CG1 4.46Å; I96-L121 HydrophobicContact CD1-CD1 4.24Å; I96-L121 HydrophobicContact CD1-CD2 3.63Å; I96-V123 HydrophobicContact CG2-CG1 4.24Å; I96-V123 HydrophobicContact CG2-CG2 3.99Å; I96-Y151 HydrophobicContact CD1-CE2 4.29Å; I96-Y151 HydrophobicContact CG1-CE2 4.07Å
97R97.9Very high96.5Very high76 Ų7664 Ų6429%0.28733%0.334SS..Hα-helixtrans-62.7-43177.8-72.8-176.8-172.6100.92.1112.5D93 V94 F95 F101 I114D93-R97 VanDerWaalsContact O-CG 3.32Å; D93-R97 WeakPolarHBondContact O-CG 3.39Å; D93-R97 PolarHBondContact O-N 3.48Å; D93-R97 VanDerWaalsContact O-N 3.15Å; D93-R97 PolarHBondContact O-NH1 3.48Å; V94-R97 PolarHBondContact O-N 2.97Å; F95-R97 VanDerWaalsContact C-N 3.28Å; F95-R97 PolarHBondContact O-N 3.07Å; R97-F101 VanDerWaalsContact O-CB 3.3Å; R97-F101 WeakPolarHBondContact O-CB 3.44Å; R97-F101 PolarHBondContact O-N 3.02Å; R97-I114 HydrophobicContact CG-CD1 4.3Å
98R97.8Very high96.4Very high190 Ų19062.1 Ų62.172%0.71731%0.313SS*.Hα-helixtrans-67.6-43.2177.5-70.8179.9179.6-145.81.4111.7V94 F95 I96 F101 G102V94-R98 WeakPolarHBondContact O-CG 3.23Å; V94-R98 PolarHBondContact O-N 3.3Å; V94-R98 VanDerWaalsContact O-N 3.14Å; F95-R98 PolarHBondContact O-N 3.04Å; F95-R98 VanDerWaalsContact O-N 3.11Å; I96-R98 PolarHBondContact O-N 2.84Å; R98-F101 PolarHBondContact O-N 3.24Å; R98-G102 PolarHBondContact O-N 3.14Å
99F97.8Very high96.4Very high30 Ų3055.9 Ų55.913%0.13229%0.285CS..Hα-helixtrans-58.6-52.8175.8175.8-98.3000110.6F95 I96 F101 G102 T103 Y142 L146 L147F95-F99 HydrophobicContact CD1-CB 4.45Å; F95-F99 HydrophobicContact CE1-CB 4.18Å; F95-F99 HydrophobicContact CE1-CG 4.49Å; F95-F99 WeakPolarHBondContact O-CB 3.21Å; F95-F99 PolarHBondContact O-N 3.49Å; I96-F99 PolarHBondContact O-N 3.45Å; F99-F101 VanDerWaalsContact C-N 3.32Å; F99-F101 PolarHBondContact O-N 3.44Å; F99-G102 PolarHBondContact O-N 3.47Å; F99-G102 VanDerWaalsContact O-N 3.11Å; F99-T103 WeakPolarHBondContact CE2-OG1 3.42Å; F99-T103 WeakPolarHBondContact CZ-OG1 3.12Å; F99-T103 WeakPolarHBondContact O-CB 3.44Å; F99-T103 PolarHBondContact O-N 2.85Å; F99-T103 PolarHBondContact O-OG1 3.15Å; F99-Y142 HydrophobicContact CE2-CE1 4.36Å; F99-Y142 AromaticContact CZ-CE1 3.93Å; F99-Y142 HydrophobicContact CZ-CE1 3.93Å; F99-L146 HydrophobicContact CE2-CD1 4.41Å; F99-L146 HydrophobicContact CE2-CD2 4.41Å; F99-L147 HydrophobicContact CD1-CD1 4.17Å; F99-L147 HydrophobicContact CD1-CD2 4.18Å; F99-L147 HydrophobicContact CD1-CG 4.46Å; F99-L147 HydrophobicContact CE1-CD1 4.04Å; F99-L147 HydrophobicContact CE1-CD2 4.28Å; F99-L147 HydrophobicContact CE1-CG 4.17Å
100M97.5Very high96.4Very high0 Ų053.3 Ų53.30%028%0.278CS..Hα-helixtrans-60.8-40.1179.2-70.3-61.9-68.600112.4I96 G102 F104 V112 V123 A125 L157I96-M100 HydrophobicContact CG2-CG 4.16Å; I96-M100 WeakPolarHBondContact O-CB 3.44Å; I96-M100 WeakPolarHBondContact O-CG 3.42Å; I96-M100 PolarHBondContact O-N 3.24Å; M100-G102 VanDerWaalsContact C-N 3.34Å; M100-F104 HydrophobicContact CE-CD2 3.54Å; M100-F104 HydrophobicContact CE-CE2 3.43Å; M100-F104 VanDerWaalsContact CE-CE2 3.43Å; M100-F104 WeakPolarHBondContact O-CB 3.35Å; M100-F104 PolarHBondContact O-N 2.98Å; M100-F104 HydrophobicContact SD-CD2 3.99Å; M100-F104 HydrophobicContact SD-CE2 3.77Å; M100-V112 HydrophobicContact CB-CG2 4.07Å; M100-V123 HydrophobicContact CE-CG1 4.32Å; M100-V123 HydrophobicContact CG-CG1 4.29Å; M100-V123 HydrophobicContact SD-CG1 4.41Å; M100-A125 HydrophobicContact CE-CB 4.27Å; M100-L157 HydrophobicContact CE-CD2 3.6Å; M100-L157 HydrophobicContact SD-CD2 3.91Å
101F96.6Very high96.3Very high133 Ų13354.9 Ų54.958%0.58328%0.28SS*.Hα-helixtrans-65.7-35.5176.4-175.9-98000112.8R97 R98 F99 L108R97-F101 VanDerWaalsContact O-CB 3.3Å; R97-F101 WeakPolarHBondContact O-CB 3.44Å; R97-F101 PolarHBondContact O-N 3.02Å; R98-F101 PolarHBondContact O-N 3.24Å; F99-F101 VanDerWaalsContact C-N 3.32Å; F99-F101 PolarHBondContact O-N 3.44Å; F101-L108 HydrophobicContact CB-CD1 4.42Å; F101-L108 HydrophobicContact CD2-CD1 4.44Å
102G96.1Very high96.3Very high49 Ų4950.2 Ų50.251%0.50525%0.252SS..Hα-helixtrans-74-50.7175.800000113R98 F99 M100R98-G102 PolarHBondContact O-N 3.14Å; F99-G102 PolarHBondContact O-N 3.47Å; F99-G102 VanDerWaalsContact O-N 3.11Å; M100-G102 VanDerWaalsContact C-N 3.34Å
103T95.8Very high96.3Very high29 Ų2950.8 Ų50.818%0.17826%0.257CS..Hα-helixtrans-64.6-42.7-177.4-53.90000111.6F99 H105 F139 Y142F99-T103 WeakPolarHBondContact CE2-OG1 3.42Å; F99-T103 WeakPolarHBondContact CZ-OG1 3.12Å; F99-T103 WeakPolarHBondContact O-CB 3.44Å; F99-T103 PolarHBondContact O-N 2.85Å; F99-T103 PolarHBondContact O-OG1 3.15Å; T103-H105 PolarHBondContact O-N 3.01Å; T103-F139 HydrophobicContact CG2-CD1 3.92Å; T103-F139 HydrophobicContact CG2-CE1 4.45Å; T103-F139 HydrophobicContact CG2-CG 4.43Å; T103-Y142 HydrophobicContact CG2-CD1 4.35Å; T103-Y142 HydrophobicContact CG2-CE1 4.26Å
104F95.3Very high96.3Very high0 Ų050.5 Ų50.50%026%0.256CS..THydrogen-bonded Turntrans-10557.4-179.3-61.5-77.2000111.8M100 G106 C107 M127 M131 F136 F139M100-F104 HydrophobicContact CE-CD2 3.54Å; M100-F104 HydrophobicContact CE-CE2 3.43Å; M100-F104 VanDerWaalsContact CE-CE2 3.43Å; M100-F104 WeakPolarHBondContact O-CB 3.35Å; M100-F104 PolarHBondContact O-N 2.98Å; M100-F104 HydrophobicContact SD-CD2 3.99Å; M100-F104 HydrophobicContact SD-CE2 3.77Å; F104-G106 PolarHBondContact O-N 2.52Å; F104-C107 HydrophobicContact CB-CB 4.35Å; F104-C107 PolarHBondContact O-N 3.41Å; F104-C107 VanDerWaalsContact O-N 3.15Å; F104-M127 HydrophobicContact CB-CE 3.38Å; F104-M127 HydrophobicContact CD1-CE 3.23Å; F104-M127 HydrophobicContact CD1-SD 4.36Å; F104-M127 HydrophobicContact CD2-CE 3.99Å; F104-M127 HydrophobicContact CE1-CE 3.85Å; F104-M127 HydrophobicContact CE1-SD 4.45Å; F104-M127 HydrophobicContact CG-CE 3.26Å; F104-M127 HydrophobicContact CZ-CE 4.47Å; F104-M131 HydrophobicContact CD1-CE 4.36Å; F104-F136 HydrophobicContact CD1-CE1 4.5Å; F104-F136 HydrophobicContact CE1-CD1 4.31Å; F104-F139 HydrophobicContact CD1-CB 4.33Å; F104-F139 HydrophobicContact CE1-CB 3.43Å; F104-F139 VanDerWaalsContact CE1-CB 3.43Å; F104-F139 HydrophobicContact CE1-CD2 4.47Å; F104-F139 HydrophobicContact CE1-CG 4.23Å; F104-F139 HydrophobicContact CZ-CB 3.69Å
105H93.6Very high96.3Very high146 Ų14650.1 Ų50.168%0.67625%0.249SC*.THydrogen-bonded Turntrans-56.8126-175.3-172.379000112.4T103 C107T103-H105 PolarHBondContact O-N 3.01Å; H105-C107 PolarHBondContact O-N 2.76Å; H105-C107 PolarHBondContact O-SG 2.74Å; H105-C107 VanDerWaalsContact O-SG 3.33Å
106G92.4Very high96.3Very high35 Ų3548.1 Ų48.136%0.36124%0.239SC..THydrogen-bonded Turntrans66.40.1177.800000115.5F104 K130F104-G106 PolarHBondContact O-N 2.52Å; G106-K130 VanDerWaalsContact O-CD 3.29Å; G106-K130 WeakPolarHBondContact O-CD 3.18Å; G106-K130 VanDerWaalsContact O-CE 3.3Å; G106-K130 WeakPolarHBondContact O-CE 3.16Å; G106-K130 PolarHBondContact O-NZ 3.43Å
107C94.4Very high96.1Very high3 Ų357 Ų572%0.0227%0.272CS..THydrogen-bonded Turntrans-96.9-21.1-176.8-62.40000112.7F104 H105 A109 M127 L128 M131F104-C107 HydrophobicContact CB-CB 4.35Å; F104-C107 PolarHBondContact O-N 3.41Å; F104-C107 VanDerWaalsContact O-N 3.15Å; H105-C107 PolarHBondContact O-N 2.76Å; H105-C107 PolarHBondContact O-SG 2.74Å; H105-C107 VanDerWaalsContact O-SG 3.33Å; C107-A109 PolarHBondContact O-N 3.2Å; C107-M127 HydrophobicContact CB-CE 4.07Å; C107-M127 CarbonylContact O-C 3.44Å; C107-M127 VanDerWaalsContact O-CA 3.27Å; C107-M127 WeakPolarHBondContact O-CA 3.46Å; C107-L128 PolarHBondContact O-N 2.66Å; C107-M131 HydrophobicContact CB-CE 4.34Å; C107-M131 WeakPolarHBondContact SG-CE 3.28Å
108L95.4Very high95.9Very high35 Ų3557.2 Ų57.218%0.18330%0.299CS..BIsolated β-bridgetrans-69.9121.8177-67.7173.2000111.2F101 V112 A125 M127F101-L108 HydrophobicContact CB-CD1 4.42Å; F101-L108 HydrophobicContact CD2-CD1 4.44Å; L108-V112 HydrophobicContact CD1-CG2 4.1Å; L108-V112 HydrophobicContact CD2-CG2 4.16Å; L108-A125 HydrophobicContact CD2-CB 4.02Å; L108-M127 HydrophobicContact CD2-CE 4.22Å; L108-M127 HydrophobicContact CD2-CG 4.49Å
109A95Very high95.7Very high2 Ų253.5 Ų53.52%0.01729%0.293CS..SBendtrans-79-43176.300000111.4C107 L126 L128 L162 K165C107-A109 PolarHBondContact O-N 3.2Å; A109-L126 HydrophobicContact CB-CB 4.3Å; A109-L126 PolarHBondContact N-O 3.29Å; A109-L128 HydrophobicContact CB-CD2 3.9Å; A109-L128 HydrophobicContact CB-CG 3.94Å; A109-L162 HydrophobicContact CB-CD1 4.17Å; A109-K165 WeakPolarHBondContact O-CE 3.33Å
110N95.1Very high95.7Very high36 Ų3654.9 Ų54.919%0.19330%0.303CS..SBendtrans-130.5176-178.5-78.8-14.5000111.2T56 L126T56-N110 WeakPolarHBondContact CG2-OD1 3.46Å; N110-L126 HydrophobicContact CB-CB 4.38Å; N110-L126 HydrophobicContact CB-CD1 4.17Å
111E95.1Very high95.7Very high103 Ų10355.1 Ų55.148%0.48131%0.305SS..PPolyproline II helixtrans-64.3149.1172.5-62.3-172.8-166.900111.4L73L73-E111 HydrophobicContact CD1-CB 4Å; L73-E111 WeakPolarHBondContact CD1-OE2 3.5Å
112V97.1Very high95.7Very high6 Ų649.4 Ų49.44%0.03628%0.281CS..PPolyproline II helixtrans-77.1135.9-177.6-179.20000110.2M100 L108 I114 V123M100-V112 HydrophobicContact CB-CG2 4.07Å; L108-V112 HydrophobicContact CD1-CG2 4.1Å; L108-V112 HydrophobicContact CD2-CG2 4.16Å; V112-I114 HydrophobicContact CG1-CG1 4.35Å; V112-V123 HydrophobicContact CG1-CG1 3.47Å; V112-V123 VanDerWaalsContact CG1-CG1 3.47Å
113V98.1Very high95.8Very high42 Ų4247.1 Ų47.126%0.25526%0.257SS..EExtended strand (participates in β ladder)trans-101.7124.3176-179.70000109.2L73 K115 C124L73-V113 HydrophobicContact CD2-CG2 3.98Å; L73-V113 CarbonylContact O-C 3.53Å; L73-V113 WeakPolarHBondContact O-CA 3.45Å; V113-K115 HydrophobicContact CG1-CG 4.38Å; V113-C124 HydrophobicContact CB-CB 4.2Å; V113-C124 PolarHBondContact N-O 3.15Å; V113-C124 PolarHBondContact O-N 3.07Å
114I98.1Very high95.9Very high0 Ų046.7 Ų46.70%026%0.255CS..EExtended strand (participates in β ladder)trans-111127-177.1-55173.8000108.7L73 S74 Q75 D93 I96 R97 V112 L121L73-I114 PolarHBondContact O-N 3.08Å; S74-I114 WeakPolarHBondContact CA-O 3.27Å; Q75-I114 PolarHBondContact N-O 2.94Å; D93-I114 HydrophobicContact CB-CD1 4.22Å; I96-I114 HydrophobicContact CB-CD1 4.16Å; I96-I114 HydrophobicContact CD1-CD1 4.49Å; I96-I114 HydrophobicContact CG2-CD1 4.01Å; I96-I114 HydrophobicContact CG2-CG1 4.46Å; R97-I114 HydrophobicContact CG-CD1 4.3Å; V112-I114 HydrophobicContact CG1-CG1 4.35Å; I114-L121 HydrophobicContact CG2-CD1 3.67Å
115K98Very high96Very high59 Ų5946.9 Ų46.926%0.25726%0.256SS..EExtended strand (participates in β ladder)trans-124.3124.8178-56.3174.3-174.1166.60108.7V113 V122V113-K115 HydrophobicContact CG1-CG 4.38Å; K115-V122 HydrophobicContact CB-CB 4.3Å; K115-V122 PolarHBondContact N-O 3Å; K115-V122 PolarHBondContact O-N 3.18Å
116R96.9Very high96.1Very high36 Ų3642.2 Ų42.214%0.13624%0.236CC..EExtended strand (participates in β ladder)trans-103.9122.4170.5-69.1-175.2-17973.7-2.9109.4Q75 H76 R89 E92 D93 L121Q75-R116 PolarHBondContact O-N 2.91Å; H76-R116 HydrophobicContact CB-CB 4.26Å; H76-R116 HydrophobicContact CB-CG 4.49Å; R89-R116 PolarHBondContact O-NH2 2.85Å; E92-R116 IonicContact OE2-CZ 3.62Å; E92-R116 IonicContact OE2-NE 3.14Å; E92-R116 PolarHBondContact OE2-NE 2.94Å; E92-R116 IonicContact OE2-NH2 3.98Å; E92-R116 PolarHBondContact OE2-NH2 2.79Å; D93-R116 IonicContact OD1-CZ 3.76Å; D93-R116 IonicContact OD1-NH1 3.43Å; D93-R116 PolarHBondContact OD1-NH1 3.03Å; D93-R116 IonicContact OD1-NH2 2.86Å; D93-R116 PolarHBondContact OD1-NH2 3.16Å; D93-R116 IonicContact OD2-NH1 2.76Å; R116-L121 HydrophobicContact CG-CD1 3.75Å
117R94.8Very high96.3Very high187 Ų18740.6 Ų40.671%0.70622%0.219SC*.EExtended strand (participates in β ladder)trans-120.793.3175.4-66.3-173.2177.7-171.8-1108.2N119 V120R117-N119 PolarHBondContact O-N 2.79Å; R117-V120 PolarHBondContact N-O 2.91Å; R117-V120 PolarHBondContact O-N 2.96Å
118G92.1Very high96.4Very high81 Ų8141.5 Ų41.584%0.83522%0.224SC*.THydrogen-bonded Turntrans57.7-124.1-170.100000110.6V120G118-V120 VanDerWaalsContact C-N 3.33Å
119N94.8Very high96.3Very high112 Ų11245.1 Ų45.160%0.59924%0.24SC*.THydrogen-bonded Turntrans-80.2-9.9178.4-163.327.2000113.9R117 C153 P154R117-N119 PolarHBondContact O-N 2.79Å; N119-C153 WeakPolarHBondContact O-CB 3.5Å; N119-C153 WeakPolarHBondContact OD1-CB 3.36Å; N119-P154 WeakPolarHBondContact O-CD 3.33Å
120V96.7Very high96.1Very high58 Ų5851.6 Ų51.635%0.35227%0.268SS..EExtended strand (participates in β ladder)trans-88.5125.3-178.2-174.40000110.4R117 G118 V122 P154R117-V120 PolarHBondContact N-O 2.91Å; R117-V120 PolarHBondContact O-N 2.96Å; G118-V120 VanDerWaalsContact C-N 3.33Å; V120-V122 HydrophobicContact CG1-CG2 3.92Å; V120-P154 WeakPolarHBondContact CA-O 3.43Å; V120-P154 HydrophobicContact CB-CG 4.5Å; V120-P154 HydrophobicContact CG2-CG 3.94Å
121L97.4Very high96Very high6 Ų652.2 Ų52.23%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-97.4113.2171.7-179.973000109.4I96 I114 R116 V123 P154 V155 K156I96-L121 HydrophobicContact CD1-CD1 4.24Å; I96-L121 HydrophobicContact CD1-CD2 3.63Å; I114-L121 HydrophobicContact CG2-CD1 3.67Å; R116-L121 HydrophobicContact CG-CD1 3.75Å; L121-V123 HydrophobicContact CD2-CG2 4.23Å; L121-V123 HydrophobicContact CG-CG2 4.13Å; L121-P154 PolarHBondContact N-O 2.79Å; L121-V155 HydrophobicContact CB-CG2 4.17Å; L121-V155 HydrophobicContact CD2-CG1 4.02Å; L121-V155 HydrophobicContact CD2-CG2 3.91Å; L121-V155 HydrophobicContact CG-CG1 4.41Å; L121-V155 CarbonylContact O-C 3.57Å; L121-V155 WeakPolarHBondContact O-CA 3.46Å; L121-K156 PolarHBondContact O-N 3.03Å
122V98.2Very high96Very high13 Ų1350.4 Ų50.48%0.07927%0.267CS..EExtended strand (participates in β ladder)trans-105.7117.6176-172.50000109.1K115 V120 K156 E158K115-V122 HydrophobicContact CB-CB 4.3Å; K115-V122 PolarHBondContact N-O 3Å; K115-V122 PolarHBondContact O-N 3.18Å; V120-V122 HydrophobicContact CG1-CG2 3.92Å; V122-K156 CarbonylContact C-O 3.6Å; V122-K156 WeakPolarHBondContact CA-O 3.26Å; V122-E158 HydrophobicContact CG1-CG 3.9Å
123V98Very high95.8Very high0 Ų054.3 Ų54.30%029%0.292CS..EExtended strand (participates in β ladder)trans-105.6111178179.90000108.2I96 M100 V112 L121 V155 K156 L157 E158I96-V123 HydrophobicContact CG2-CG1 4.24Å; I96-V123 HydrophobicContact CG2-CG2 3.99Å; M100-V123 HydrophobicContact CE-CG1 4.32Å; M100-V123 HydrophobicContact CG-CG1 4.29Å; M100-V123 HydrophobicContact SD-CG1 4.41Å; V112-V123 HydrophobicContact CG1-CG1 3.47Å; V112-V123 VanDerWaalsContact CG1-CG1 3.47Å; L121-V123 HydrophobicContact CD2-CG2 4.23Å; L121-V123 HydrophobicContact CG-CG2 4.13Å; V123-V155 HydrophobicContact CG2-CG1 4.5Å; V123-K156 PolarHBondContact N-O 3Å; V123-L157 HydrophobicContact CB-CD2 3.58Å; V123-L157 HydrophobicContact CB-CG 4.43Å; V123-L157 HydrophobicContact CG1-CD2 3.6Å; V123-L157 WeakPolarHBondContact O-CA 3.34Å; V123-E158 PolarHBondContact O-N 2.82Å
124C98Very high95.8Very high21 Ų2160.1 Ų60.114%0.14232%0.317CS..EExtended strand (participates in β ladder)trans-99127.9179-530000110.1V113 E158V113-C124 HydrophobicContact CB-CB 4.2Å; V113-C124 PolarHBondContact N-O 3.15Å; V113-C124 PolarHBondContact O-N 3.07Å; C124-E158 CarbonylContact C-O 3.55Å; C124-E158 VanDerWaalsContact CA-O 3.26Å; C124-E158 WeakPolarHBondContact CA-O 3.47Å
125A96.8Very high95.6Very high3 Ų365.8 Ų65.83%0.02534%0.341CS..EExtended strand (participates in β ladder)trans-131.5137.1179.900000112.3M100 L108 M127 E158 I159 Q160M100-A125 HydrophobicContact CE-CB 4.27Å; L108-A125 HydrophobicContact CD2-CB 4.02Å; A125-M127 HydrophobicContact CB-CG 4.17Å; A125-E158 PolarHBondContact N-O 3.15Å; A125-I159 HydrophobicContact CB-CG1 4.48Å; A125-I159 WeakPolarHBondContact O-CA 3.02Å; A125-Q160 PolarHBondContact O-N 3.47Å
126L96.6Very high95.5Very high49 Ų4963.7 Ų63.726%0.25733%0.332SS..EExtended strand (participates in β ladder)trans-94.6120.6168-60.9-176000108.9A109 N110 Q160 L162A109-L126 HydrophobicContact CB-CB 4.3Å; A109-L126 PolarHBondContact N-O 3.29Å; N110-L126 HydrophobicContact CB-CB 4.38Å; N110-L126 HydrophobicContact CB-CD1 4.17Å; L126-Q160 WeakPolarHBondContact CA-O 3.23Å; L126-Q160 HydrophobicContact CD2-CB 3.7Å; L126-Q160 HydrophobicContact CD2-CG 4.02Å; L126-Q160 VanDerWaalsContact CD2-OE1 3.31Å; L126-L162 HydrophobicContact CB-CD1 4.24Å; L126-L162 HydrophobicContact CD1-CD1 4.39Å
127M95.8Very high95.4Very high0 Ų070.2 Ų70.20%036%0.358CS..EExtended strand (participates in β ladder)trans-122.6143.3-170.5-54.8-165.190.400112.3F104 C107 L108 A125 F136 I159 Q160 T161 L162F104-M127 HydrophobicContact CB-CE 3.38Å; F104-M127 HydrophobicContact CD1-CE 3.23Å; F104-M127 HydrophobicContact CD1-SD 4.36Å; F104-M127 HydrophobicContact CD2-CE 3.99Å; F104-M127 HydrophobicContact CE1-CE 3.85Å; F104-M127 HydrophobicContact CE1-SD 4.45Å; F104-M127 HydrophobicContact CG-CE 3.26Å; F104-M127 HydrophobicContact CZ-CE 4.47Å; C107-M127 HydrophobicContact CB-CE 4.07Å; C107-M127 CarbonylContact O-C 3.44Å; C107-M127 VanDerWaalsContact O-CA 3.27Å; C107-M127 WeakPolarHBondContact O-CA 3.46Å; L108-M127 HydrophobicContact CD2-CE 4.22Å; L108-M127 HydrophobicContact CD2-CG 4.49Å; A125-M127 HydrophobicContact CB-CG 4.17Å; M127-F136 HydrophobicContact CB-CE1 4.28Å; M127-F136 HydrophobicContact CE-CD1 4.38Å; M127-F136 HydrophobicContact CE-CE1 3.71Å; M127-F136 HydrophobicContact SD-CD1 4.03Å; M127-F136 HydrophobicContact SD-CE1 3.65Å; M127-I159 HydrophobicContact CB-CG2 4.11Å; M127-I159 HydrophobicContact CG-CG1 4.47Å; M127-I159 HydrophobicContact CG-CG2 3.71Å; M127-I159 HydrophobicContact SD-CB 4.24Å; M127-I159 HydrophobicContact SD-CD1 3.6Å; M127-I159 VanDerWaalsContact SD-CD1 3.6Å; M127-I159 HydrophobicContact SD-CG1 3.7Å; M127-I159 HydrophobicContact SD-CG2 3.5Å; M127-I159 WeakPolarHBondContact SD-CG2 3.36Å; M127-Q160 PolarHBondContact N-O 2.86Å; M127-T161 CarbonylContact O-C 3.44Å; M127-T161 VanDerWaalsContact O-CA 3.24Å; M127-T161 WeakPolarHBondContact O-CA 3.5Å; M127-L162 PolarHBondContact O-N 3.06Å
128L95.8Very high95.6Very high22 Ų2267.9 Ų67.912%0.11535%0.353CS..EExtended strand (participates in β ladder)trans-83.2142.7171.3-61.8174.4000109.8C107 A109 K130 L162 K165C107-L128 PolarHBondContact O-N 2.66Å; A109-L128 HydrophobicContact CB-CD2 3.9Å; A109-L128 HydrophobicContact CB-CG 3.94Å; L128-K130 HydrophobicContact CB-CG 4.11Å; L128-K130 PolarHBondContact O-N 2.71Å; L128-L162 WeakPolarHBondContact CA-O 3.48Å; L128-K165 HydrophobicContact CD2-CB 4.48Å
129Q93.3Very high95.8Very high112 Ų11266.7 Ų66.752%0.52333%0.326SS..SBendtrans-77.254.2179.8-63.6176.2-2.200112.7T161 L162Q129-T161 HydrophobicContact CG-CG2 4.41Å; Q129-T161 PolarHBondContact NE2-OG1 3.38Å; Q129-L162 PolarHBondContact N-O 3.07Å
130K92.1Very high95.9Very high138 Ų13862.8 Ų62.860%0.630%0.304SS*.  trans-85.5-13.9180-67.8-172.3179.61760114.4G106 L128G106-K130 VanDerWaalsContact O-CD 3.29Å; G106-K130 WeakPolarHBondContact O-CD 3.18Å; G106-K130 VanDerWaalsContact O-CE 3.3Å; G106-K130 WeakPolarHBondContact O-CE 3.16Å; G106-K130 PolarHBondContact O-NZ 3.43Å; L128-K130 HydrophobicContact CB-CG 4.11Å; L128-K130 PolarHBondContact O-N 2.71Å
131M91.9Very high95.9Very high48 Ų4861.5 Ų61.524%0.23630%0.302CS..SBendtrans-126.1153.8-175.9-62.2-174.3-60.200110.3F104 C107 F136 F139F104-M131 HydrophobicContact CD1-CE 4.36Å; C107-M131 HydrophobicContact CB-CE 4.34Å; C107-M131 WeakPolarHBondContact SG-CE 3.28Å; M131-F136 HydrophobicContact CB-CD2 4.16Å; M131-F136 HydrophobicContact CB-CE2 3.74Å; M131-F136 HydrophobicContact CB-CZ 4.21Å; M131-F136 HydrophobicContact CE-CD1 4.1Å; M131-F136 HydrophobicContact CE-CE1 3.67Å; M131-F136 HydrophobicContact CE-CE2 4.24Å; M131-F136 HydrophobicContact CE-CZ 3.75Å; M131-F136 VanDerWaalsContact O-CE2 3.27Å; M131-F136 WeakPolarHBondContact O-CE2 3.42Å; M131-F139 HydrophobicContact CE-CD2 4.46Å; M131-F139 HydrophobicContact SD-CE2 4.5Å
132P94.6Very high95.9Very high65 Ų6566.2 Ų66.242%0.42232%0.321SS..  trans-64.8148.3174.927.2-35.3000111.1Q134 K135 F136P132-Q134 PolarHBondContact O-N 3.42Å; P132-Q134 VanDerWaalsContact O-N 3.14Å; P132-K135 HydrophobicContact CG-CB 4.38Å; P132-K135 HydrophobicContact CG-CD 3.93Å; P132-K135 HydrophobicContact CG-CG 3.99Å; P132-K135 PolarHBondContact O-N 3.33Å; P132-K135 VanDerWaalsContact O-N 3.1Å; P132-F136 PolarHBondContact O-N 2.8Å
133P94.9Very high95.9Very high88 Ų8865.6 Ų65.657%0.57132%0.317SS*.Hα-helixtrans-54.6-35.7-177.4-2834.8000114.4K135 F136 Y137P133-K135 VanDerWaalsContact C-N 3.31Å; P133-K135 PolarHBondContact O-N 3.14Å; P133-F136 WeakPolarHBondContact O-CA 3.42Å; P133-F136 WeakPolarHBondContact O-CB 3.23Å; P133-F136 PolarHBondContact O-N 3.27Å; P133-Y137 HydrophobicContact CB-CD2 4.43Å; P133-Y137 HydrophobicContact CB-CE2 4.2Å; P133-Y137 WeakPolarHBondContact O-CD2 3.14Å; P133-Y137 PolarHBondContact O-N 2.96Å
134Q96.2Very high95.9Very high165 Ų16568.2 Ų68.277%0.77133%0.329SS*.Hα-helixtrans-57.9-41.6179.5-66.3173.2-13.300112.5P132 Y137 F138P132-Q134 PolarHBondContact O-N 3.42Å; P132-Q134 VanDerWaalsContact O-N 3.14Å; Q134-Y137 PolarHBondContact O-N 3.1Å; Q134-F138 PolarHBondContact O-N 3.01Å
135K95.1Very high95.9Very high118 Ų11870.3 Ų70.351%0.51334%0.344SS..Hα-helixtrans-69.2-36.2176.5-69.8-175.3-178-179.20111.5P132 P133 F138 F139P132-K135 HydrophobicContact CG-CB 4.38Å; P132-K135 HydrophobicContact CG-CD 3.93Å; P132-K135 HydrophobicContact CG-CG 3.99Å; P132-K135 PolarHBondContact O-N 3.33Å; P132-K135 VanDerWaalsContact O-N 3.1Å; P133-K135 VanDerWaalsContact C-N 3.31Å; P133-K135 PolarHBondContact O-N 3.14Å; K135-F138 PolarHBondContact O-N 3.37Å; K135-F139 WeakPolarHBondContact O-CD2 3.14Å; K135-F139 PolarHBondContact O-N 2.88Å
136F94.8Very high96Very high15 Ų1572.7 Ų72.77%0.06636%0.356CS..Hα-helixtrans-60.2-51.6173.2-82.8-71000111.1F104 M127 M131 P132 P133 F138 F139 I140F104-F136 HydrophobicContact CD1-CE1 4.5Å; F104-F136 HydrophobicContact CE1-CD1 4.31Å; M127-F136 HydrophobicContact CB-CE1 4.28Å; M127-F136 HydrophobicContact CE-CD1 4.38Å; M127-F136 HydrophobicContact CE-CE1 3.71Å; M127-F136 HydrophobicContact SD-CD1 4.03Å; M127-F136 HydrophobicContact SD-CE1 3.65Å; M131-F136 HydrophobicContact CB-CD2 4.16Å; M131-F136 HydrophobicContact CB-CE2 3.74Å; M131-F136 HydrophobicContact CB-CZ 4.21Å; M131-F136 HydrophobicContact CE-CD1 4.1Å; M131-F136 HydrophobicContact CE-CE1 3.67Å; M131-F136 HydrophobicContact CE-CE2 4.24Å; M131-F136 HydrophobicContact CE-CZ 3.75Å; M131-F136 VanDerWaalsContact O-CE2 3.27Å; M131-F136 WeakPolarHBondContact O-CE2 3.42Å; P132-F136 PolarHBondContact O-N 2.8Å; P133-F136 WeakPolarHBondContact O-CA 3.42Å; P133-F136 WeakPolarHBondContact O-CB 3.23Å; P133-F136 PolarHBondContact O-N 3.27Å; F136-F138 VanDerWaalsContact C-N 3.29Å; F136-F138 PolarHBondContact O-N 2.95Å; F136-F139 PolarHBondContact O-N 2.95Å; F136-F139 VanDerWaalsContact O-N 3.15Å; F136-I140 WeakPolarHBondContact O-CB 3.45Å; F136-I140 WeakPolarHBondContact O-CD1 3.49Å; F136-I140 WeakPolarHBondContact O-CG1 3.36Å; F136-I140 PolarHBondContact O-N 2.82Å
137Y96.5Very high96.1Very high173 Ų17370.4 Ų70.468%0.67834%0.344SS*.Hα-helixtrans-58.9-39.6178-72.7-67.3000112.8P133 Q134 I140 G141P133-Y137 HydrophobicContact CB-CD2 4.43Å; P133-Y137 HydrophobicContact CB-CE2 4.2Å; P133-Y137 WeakPolarHBondContact O-CD2 3.14Å; P133-Y137 PolarHBondContact O-N 2.96Å; Q134-Y137 PolarHBondContact O-N 3.1Å; Y137-I140 HydrophobicContact CD1-CD1 4.38Å; Y137-I140 PolarHBondContact O-N 2.84Å; Y137-G141 PolarHBondContact O-N 3.29Å
138F97.1Very high96.2Very high138 Ų13872.3 Ų72.361%0.60536%0.357SS*.Hα-helixtrans-59.7-51.7173.2176.2-96000112.1Q134 K135 F136 I140 G141 Y142Q134-F138 PolarHBondContact O-N 3.01Å; K135-F138 PolarHBondContact O-N 3.37Å; F136-F138 VanDerWaalsContact C-N 3.29Å; F136-F138 PolarHBondContact O-N 2.95Å; F138-I140 VanDerWaalsContact C-N 3.3Å; F138-I140 PolarHBondContact O-N 2.87Å; F138-G141 PolarHBondContact O-N 3.42Å; F138-Y142 VanDerWaalsContact O-CB 3.31Å; F138-Y142 WeakPolarHBondContact O-CB 3.1Å; F138-Y142 PolarHBondContact O-N 2.87Å
139F96.4Very high96.3Very high57 Ų5777.6 Ų77.625%0.2538%0.381CS..Hα-helixtrans-67.3-30.3-179.1-76.1-55000113.4T103 F104 M131 K135 F136 Y142 S143T103-F139 HydrophobicContact CG2-CD1 3.92Å; T103-F139 HydrophobicContact CG2-CE1 4.45Å; T103-F139 HydrophobicContact CG2-CG 4.43Å; F104-F139 HydrophobicContact CD1-CB 4.33Å; F104-F139 HydrophobicContact CE1-CB 3.43Å; F104-F139 VanDerWaalsContact CE1-CB 3.43Å; F104-F139 HydrophobicContact CE1-CD2 4.47Å; F104-F139 HydrophobicContact CE1-CG 4.23Å; F104-F139 HydrophobicContact CZ-CB 3.69Å; M131-F139 HydrophobicContact CE-CD2 4.46Å; M131-F139 HydrophobicContact SD-CE2 4.5Å; K135-F139 WeakPolarHBondContact O-CD2 3.14Å; K135-F139 PolarHBondContact O-N 2.88Å; F136-F139 PolarHBondContact O-N 2.95Å; F136-F139 VanDerWaalsContact O-N 3.15Å; F139-Y142 HydrophobicContact CD1-CD1 4.36Å; F139-S143 WeakPolarHBondContact O-CB 3.27Å; F139-S143 PolarHBondContact O-N 3.26Å; F139-S143 PolarHBondContact O-OG 2.95Å
140I97.1Very high96.5Very high30 Ų3078.1 Ų78.115%0.15438%0.382CS..Hα-helixtrans-61-57.7171.8-69.1163.2000109.2F136 Y137 F138 Y142 S143 E144 L157 I159F136-I140 WeakPolarHBondContact O-CB 3.45Å; F136-I140 WeakPolarHBondContact O-CD1 3.49Å; F136-I140 WeakPolarHBondContact O-CG1 3.36Å; F136-I140 PolarHBondContact O-N 2.82Å; Y137-I140 HydrophobicContact CD1-CD1 4.38Å; Y137-I140 PolarHBondContact O-N 2.84Å; F138-I140 VanDerWaalsContact C-N 3.3Å; F138-I140 PolarHBondContact O-N 2.87Å; I140-Y142 VanDerWaalsContact C-N 3.34Å; I140-Y142 PolarHBondContact O-N 2.87Å; I140-S143 PolarHBondContact O-N 2.93Å; I140-S143 VanDerWaalsContact O-N 3.15Å; I140-E144 HydrophobicContact CG2-CG 4.42Å; I140-E144 WeakPolarHBondContact O-CG 3.48Å; I140-E144 PolarHBondContact O-N 3.38Å; I140-L157 HydrophobicContact CG2-CB 4.3Å; I140-I159 HydrophobicContact CD1-CD1 3.47Å; I140-I159 VanDerWaalsContact CD1-CD1 3.47Å; I140-I159 HydrophobicContact CG1-CD1 3.3Å
141G97.9Very high96.7Very high30 Ų3073.8 Ų73.831%0.30936%0.362SS..Hα-helixtrans-61.1-40.7-179.500000113Y137 F138 S145Y137-G141 PolarHBondContact O-N 3.29Å; F138-G141 PolarHBondContact O-N 3.42Å; G141-S145 VanDerWaalsContact O-CB 3.28Å; G141-S145 WeakPolarHBondContact O-CB 3.37Å; G141-S145 PolarHBondContact O-N 2.95Å; G141-S145 PolarHBondContact O-OG 2.92Å
142Y97.9Very high96.9Very high106 Ų10679.4 Ų79.442%0.41639%0.385SS..Hα-helixtrans-57-50.1172.9165.2-104.9000111.9F99 T103 F138 F139 I140 L146F99-Y142 HydrophobicContact CE2-CE1 4.36Å; F99-Y142 AromaticContact CZ-CE1 3.93Å; F99-Y142 HydrophobicContact CZ-CE1 3.93Å; T103-Y142 HydrophobicContact CG2-CD1 4.35Å; T103-Y142 HydrophobicContact CG2-CE1 4.26Å; F138-Y142 VanDerWaalsContact O-CB 3.31Å; F138-Y142 WeakPolarHBondContact O-CB 3.1Å; F138-Y142 PolarHBondContact O-N 2.87Å; F139-Y142 HydrophobicContact CD1-CD1 4.36Å; I140-Y142 VanDerWaalsContact C-N 3.34Å; I140-Y142 PolarHBondContact O-N 2.87Å; Y142-L146 HydrophobicContact CE1-CD1 4.27Å; Y142-L146 HydrophobicContact CE2-CD1 3.74Å; Y142-L146 WeakPolarHBondContact O-CB 3.31Å; Y142-L146 PolarHBondContact O-N 2.88Å; Y142-L146 VanDerWaalsContact OH-CD1 3.23Å; Y142-L146 WeakPolarHBondContact OH-CD1 3.48Å
143S97.7Very high97Very high0 Ų077.1 Ų77.10%037%0.371CS..Hα-helixtrans-70.8-42.3-175.6-60.50000111.9F139 I140 L147F139-S143 WeakPolarHBondContact O-CB 3.27Å; F139-S143 PolarHBondContact O-N 3.26Å; F139-S143 PolarHBondContact O-OG 2.95Å; I140-S143 PolarHBondContact O-N 2.93Å; I140-S143 VanDerWaalsContact O-N 3.15Å; S143-L147 VanDerWaalsContact O-CB 3.23Å; S143-L147 WeakPolarHBondContact O-CB 3.22Å; S143-L147 WeakPolarHBondContact O-CG 3.31Å; S143-L147 PolarHBondContact O-N 2.87Å
144E98Very high97.2Very high54 Ų5475.9 Ų75.925%0.25236%0.362SS..Hα-helixtrans-60.3-47.2175.5-71.3-176154.300111.1I140 S148 L157I140-E144 HydrophobicContact CG2-CG 4.42Å; I140-E144 WeakPolarHBondContact O-CG 3.48Å; I140-E144 PolarHBondContact O-N 3.38Å; E144-S148 WeakPolarHBondContact O-CB 3.3Å; E144-S148 PolarHBondContact O-N 3.32Å; E144-L157 HydrophobicContact CG-CB 4.02Å; E144-L157 HydrophobicContact CG-CD1 4.01Å; E144-L157 HydrophobicContact CG-CG 4.15Å; E144-L157 PolarHBondContact OE1-N 3.26Å
145S98.3Very high97.3Very high65 Ų6568.6 Ų68.646%0.45533%0.329SS..Hα-helixtrans-65.8-49.2-179.3-54.60000111.4G141 S148 H149G141-S145 VanDerWaalsContact O-CB 3.28Å; G141-S145 WeakPolarHBondContact O-CB 3.37Å; G141-S145 PolarHBondContact O-N 2.95Å; G141-S145 PolarHBondContact O-OG 2.92Å; S145-S148 PolarHBondContact O-N 3.06Å; S145-H149 PolarHBondContact O-CD2 2.85Å; S145-H149 PolarHBondContact O-N 3.45Å
146L98.3Very high97.4Very high54 Ų5468 Ų6828%0.28333%0.327SS..Hα-helixtrans-61.3-50.8-179.3-175160.2000111.3F99 Y142 S148 H149 F150F99-L146 HydrophobicContact CE2-CD1 4.41Å; F99-L146 HydrophobicContact CE2-CD2 4.41Å; Y142-L146 HydrophobicContact CE1-CD1 4.27Å; Y142-L146 HydrophobicContact CE2-CD1 3.74Å; Y142-L146 WeakPolarHBondContact O-CB 3.31Å; Y142-L146 PolarHBondContact O-N 2.88Å; Y142-L146 VanDerWaalsContact OH-CD1 3.23Å; Y142-L146 WeakPolarHBondContact OH-CD1 3.48Å; L146-S148 VanDerWaalsContact C-N 3.29Å; L146-S148 PolarHBondContact O-N 3.15Å; L146-H149 PolarHBondContact O-N 2.93Å; L146-F150 VanDerWaalsContact O-CB 3.31Å; L146-F150 WeakPolarHBondContact O-CB 3.23Å; L146-F150 PolarHBondContact O-N 3.37Å
147L97.9Very high97.5Very high0 Ų067.9 Ų67.90%033%0.327CS..Hα-helixtrans-66.5-34.7-177.9-65.5174000111.4F95 F99 S143 F150 Y151 V155F95-L147 HydrophobicContact CE1-CD2 3.95Å; F99-L147 HydrophobicContact CD1-CD1 4.17Å; F99-L147 HydrophobicContact CD1-CD2 4.18Å; F99-L147 HydrophobicContact CD1-CG 4.46Å; F99-L147 HydrophobicContact CE1-CD1 4.04Å; F99-L147 HydrophobicContact CE1-CD2 4.28Å; F99-L147 HydrophobicContact CE1-CG 4.17Å; S143-L147 VanDerWaalsContact O-CB 3.23Å; S143-L147 WeakPolarHBondContact O-CB 3.22Å; S143-L147 WeakPolarHBondContact O-CG 3.31Å; S143-L147 PolarHBondContact O-N 2.87Å; L147-F150 PolarHBondContact O-N 3.15Å; L147-Y151 HydrophobicContact CB-CD2 4.5Å; L147-Y151 HydrophobicContact CD2-CD2 4.41Å; L147-Y151 HydrophobicContact CD2-CE2 4.05Å; L147-Y151 PolarHBondContact O-N 3.33Å; L147-V155 HydrophobicContact CB-CB 4.2Å; L147-V155 HydrophobicContact CB-CG1 4.11Å; L147-V155 HydrophobicContact CB-CG2 3.82Å; L147-V155 HydrophobicContact CD1-CG1 4.19Å
148S97.9Very high97.6Very high40 Ų4063.3 Ų63.328%0.2831%0.311SS..Hα-helixtrans-62.9-46.4174.2-179.10000112.1E144 S145 L146 F150 K152 C153E144-S148 WeakPolarHBondContact O-CB 3.3Å; E144-S148 PolarHBondContact O-N 3.32Å; S145-S148 PolarHBondContact O-N 3.06Å; L146-S148 VanDerWaalsContact C-N 3.29Å; L146-S148 PolarHBondContact O-N 3.15Å; S148-F150 VanDerWaalsContact C-N 3.35Å; S148-F150 PolarHBondContact O-N 3.05Å; S148-K152 VanDerWaalsContact O-CA 3.24Å; S148-K152 WeakPolarHBondContact O-CA 3.06Å; S148-K152 PolarHBondContact O-N 2.99Å; S148-C153 VanDerWaalsContact CA-O 3.23Å; S148-C153 WeakPolarHBondContact CA-O 3.17Å; S148-C153 PolarHBondContact O-N 3.21Å; S148-C153 PolarHBondContact OG-O 3.4Å
149H98.1Very high97.5Very high134 Ų13459 Ų5962%0.6229%0.294SS*.Hα-helixtrans-69.4-30.5176.3-74.5-64.4000113.6S145 L146 K152S145-H149 PolarHBondContact O-CD2 2.85Å; S145-H149 PolarHBondContact O-N 3.45Å; L146-H149 PolarHBondContact O-N 2.93Å; H149-K152 WeakPolarHBondContact O-CD 3.4Å; H149-K152 VanDerWaalsContact O-CE 3.22Å; H149-K152 WeakPolarHBondContact O-CE 3.5Å; H149-K152 PolarHBondContact O-NZ 2.86Å
150F97.6Very high97.5Very high122 Ų12262 Ų6254%0.53531%0.309SS..Hα-helixtrans-74.6-50.7179.8-173.2-104.6000111.8F95 L146 L147 S148F95-F150 HydrophobicContact CE1-CD1 4.48Å; F95-F150 HydrophobicContact CE1-CE1 4.36Å; F95-F150 HydrophobicContact CZ-CE1 4.44Å; L146-F150 VanDerWaalsContact O-CB 3.31Å; L146-F150 WeakPolarHBondContact O-CB 3.23Å; L146-F150 PolarHBondContact O-N 3.37Å; L147-F150 PolarHBondContact O-N 3.15Å; S148-F150 VanDerWaalsContact C-N 3.35Å; S148-F150 PolarHBondContact O-N 3.05Å
151Y96.3Very high97.4Very high47 Ų4763.7 Ų63.718%0.18432%0.321CS..Hα-helixtrans-89.2-5-177.9-69.4-58.6000114.6E92 F95 I96 L147 C153E92-Y151 WeakPolarHBondContact CA-OH 3.29Å; E92-Y151 HydrophobicContact CB-CE1 4.2Å; E92-Y151 HydrophobicContact CG-CD1 4.18Å; E92-Y151 HydrophobicContact CG-CE1 3.63Å; F95-Y151 HydrophobicContact CD1-CE2 4.22Å; F95-Y151 AromaticContact CD1-CZ 3.95Å; F95-Y151 WeakPolarHBondContact CD1-OH 3.35Å; F95-Y151 HydrophobicContact CE1-CE2 4.45Å; I96-Y151 HydrophobicContact CD1-CE2 4.29Å; I96-Y151 HydrophobicContact CG1-CE2 4.07Å; L147-Y151 HydrophobicContact CB-CD2 4.5Å; L147-Y151 HydrophobicContact CD2-CD2 4.41Å; L147-Y151 HydrophobicContact CD2-CE2 4.05Å; L147-Y151 PolarHBondContact O-N 3.33Å; Y151-C153 PolarHBondContact O-N 3.45Å
152K97.3Very high97.3Very high167 Ų16764.3 Ų64.373%0.72632%0.317SS*.THydrogen-bonded Turntrans57.631.1-177.6-48.4-58.2179.9-167.40112.9S148 H149S148-K152 VanDerWaalsContact O-CA 3.24Å; S148-K152 WeakPolarHBondContact O-CA 3.06Å; S148-K152 PolarHBondContact O-N 2.99Å; H149-K152 WeakPolarHBondContact O-CD 3.4Å; H149-K152 VanDerWaalsContact O-CE 3.22Å; H149-K152 WeakPolarHBondContact O-CE 3.5Å; H149-K152 PolarHBondContact O-NZ 2.86Å
153C96.4Very high97.1Very high17 Ų1767.3 Ų67.312%0.11534%0.335CS..SBendtrans-137149.3-179.472.30000110.7N119 S148 Y151 V155N119-C153 WeakPolarHBondContact O-CB 3.5Å; N119-C153 WeakPolarHBondContact OD1-CB 3.36Å; S148-C153 VanDerWaalsContact CA-O 3.23Å; S148-C153 WeakPolarHBondContact CA-O 3.17Å; S148-C153 PolarHBondContact O-N 3.21Å; S148-C153 PolarHBondContact OG-O 3.4Å; Y151-C153 PolarHBondContact O-N 3.45Å; C153-V155 WeakPolarHBondContact O-CG2 3.49Å; C153-V155 PolarHBondContact O-N 2.94Å
154P97.8Very high96.9Very high61 Ų6175 Ų7540%0.39637%0.37SS..  trans-65.4120176.525.5-32.8000110.7N119 V120 L121N119-P154 WeakPolarHBondContact O-CD 3.33Å; V120-P154 WeakPolarHBondContact CA-O 3.43Å; V120-P154 HydrophobicContact CB-CG 4.5Å; V120-P154 HydrophobicContact CG2-CG 3.94Å; L121-P154 PolarHBondContact N-O 2.79Å
155V98.3Very high96.7Very high13 Ų1376.8 Ų76.88%0.07938%0.378CS..EExtended strand (participates in β ladder)trans-108.3132177.6-174.80000109.8L121 V123 L147 C153L121-V155 HydrophobicContact CB-CG2 4.17Å; L121-V155 HydrophobicContact CD2-CG1 4.02Å; L121-V155 HydrophobicContact CD2-CG2 3.91Å; L121-V155 HydrophobicContact CG-CG1 4.41Å; L121-V155 CarbonylContact O-C 3.57Å; L121-V155 WeakPolarHBondContact O-CA 3.46Å; V123-V155 HydrophobicContact CG2-CG1 4.5Å; L147-V155 HydrophobicContact CB-CB 4.2Å; L147-V155 HydrophobicContact CB-CG1 4.11Å; L147-V155 HydrophobicContact CB-CG2 3.82Å; L147-V155 HydrophobicContact CD1-CG1 4.19Å; C153-V155 WeakPolarHBondContact O-CG2 3.49Å; C153-V155 PolarHBondContact O-N 2.94Å
156K97.8Very high96.4Very high105 Ų10576.3 Ų76.346%0.45738%0.378SS..EExtended strand (participates in β ladder)trans-122.4129.1175.8-172.1-175.5179-154.90110.2L121 V122 V123 E158L121-K156 PolarHBondContact O-N 3.03Å; V122-K156 CarbonylContact C-O 3.6Å; V122-K156 WeakPolarHBondContact CA-O 3.26Å; V123-K156 PolarHBondContact N-O 3Å; K156-E158 HydrophobicContact CD-CG 4.39Å; K156-E158 HydrophobicContact CG-CG 4.47Å; K156-E158 IonicContact NZ-OE1 2.82Å; K156-E158 PolarHBondContact NZ-OE1 2.78Å
157L97.8Very high96.3Very high13 Ų1376.9 Ų76.97%0.06838%0.383CS..EExtended strand (participates in β ladder)trans-99.9119174.8-84.6166.2000110.5M100 V123 I140 E144M100-L157 HydrophobicContact CE-CD2 3.6Å; M100-L157 HydrophobicContact SD-CD2 3.91Å; V123-L157 HydrophobicContact CB-CD2 3.58Å; V123-L157 HydrophobicContact CB-CG 4.43Å; V123-L157 HydrophobicContact CG1-CD2 3.6Å; V123-L157 WeakPolarHBondContact O-CA 3.34Å; I140-L157 HydrophobicContact CG2-CB 4.3Å; E144-L157 HydrophobicContact CG-CB 4.02Å; E144-L157 HydrophobicContact CG-CD1 4.01Å; E144-L157 HydrophobicContact CG-CG 4.15Å; E144-L157 PolarHBondContact OE1-N 3.26Å
158E97.1Very high96.2Very high76 Ų7682.9 Ų82.936%0.35541%0.407SS..EExtended strand (participates in β ladder)trans-107.9108.5175.8-66.8-175.3166.800109.3V122 V123 C124 A125 K156V122-E158 HydrophobicContact CG1-CG 3.9Å; V123-E158 PolarHBondContact O-N 2.82Å; C124-E158 CarbonylContact C-O 3.55Å; C124-E158 VanDerWaalsContact CA-O 3.26Å; C124-E158 WeakPolarHBondContact CA-O 3.47Å; A125-E158 PolarHBondContact N-O 3.15Å; K156-E158 HydrophobicContact CD-CG 4.39Å; K156-E158 HydrophobicContact CG-CG 4.47Å; K156-E158 IonicContact NZ-OE1 2.82Å; K156-E158 PolarHBondContact NZ-OE1 2.78Å
159I95.8Very high96.1Very high47 Ų4784.9 Ų84.924%0.24141%0.41CS..EExtended strand (participates in β ladder)trans-108.8131-176.7-69.8163.5000110.1A125 M127 I140 T161A125-I159 HydrophobicContact CB-CG1 4.48Å; A125-I159 WeakPolarHBondContact O-CA 3.02Å; M127-I159 HydrophobicContact CB-CG2 4.11Å; M127-I159 HydrophobicContact CG-CG1 4.47Å; M127-I159 HydrophobicContact CG-CG2 3.71Å; M127-I159 HydrophobicContact SD-CB 4.24Å; M127-I159 HydrophobicContact SD-CD1 3.6Å; M127-I159 VanDerWaalsContact SD-CD1 3.6Å; M127-I159 HydrophobicContact SD-CG1 3.7Å; M127-I159 HydrophobicContact SD-CG2 3.5Å; M127-I159 WeakPolarHBondContact SD-CG2 3.36Å; I140-I159 HydrophobicContact CD1-CD1 3.47Å; I140-I159 VanDerWaalsContact CD1-CD1 3.47Å; I140-I159 HydrophobicContact CG1-CD1 3.3Å; I159-T161 HydrophobicContact CG2-CG2 4.19Å
160Q96.3Very high96Very high120 Ų12085.5 Ų85.556%0.56141%0.408SS*.EExtended strand (participates in β ladder)trans-115.2125.6167.6177.4-179.7600108.4A125 L126 M127A125-Q160 PolarHBondContact O-N 3.47Å; L126-Q160 WeakPolarHBondContact CA-O 3.23Å; L126-Q160 HydrophobicContact CD2-CB 3.7Å; L126-Q160 HydrophobicContact CD2-CG 4.02Å; L126-Q160 VanDerWaalsContact CD2-OE1 3.31Å; M127-Q160 PolarHBondContact N-O 2.86Å
161T95.4Very high95.7Very high67 Ų6780.6 Ų80.641%0.41139%0.388SS..EExtended strand (participates in β ladder)trans-91.1145.4179.564.80000111.6M127 Q129 I159M127-T161 CarbonylContact O-C 3.44Å; M127-T161 VanDerWaalsContact O-CA 3.24Å; M127-T161 WeakPolarHBondContact O-CA 3.5Å; Q129-T161 HydrophobicContact CG-CG2 4.41Å; Q129-T161 PolarHBondContact NE2-OG1 3.38Å; I159-T161 HydrophobicContact CG2-CG2 4.19Å
162L95.2Very high95.6Very high43 Ų4382.3 Ų82.323%0.22540%0.398CS..EExtended strand (participates in β ladder)trans-129.2145.8176.4-61.9174.8000108.2A109 L126 M127 L128 Q129 E164A109-L162 HydrophobicContact CB-CD1 4.17Å; L126-L162 HydrophobicContact CB-CD1 4.24Å; L126-L162 HydrophobicContact CD1-CD1 4.39Å; M127-L162 PolarHBondContact O-N 3.06Å; L128-L162 WeakPolarHBondContact CA-O 3.48Å; Q129-L162 PolarHBondContact N-O 3.07Å; L162-E164 WeakPolarHBondContact CB-O 3.22Å
163Q93.6Very high95.5Very high168 Ų16877.8 Ų77.879%0.78538%0.381SS*.SBendtrans-70.9-48.1173.9-67.5178-1500110.2
164E93.3Very high95.5Very high161 Ų16181.2 Ų81.275%0.75240%0.396SS*.SBendtrans-129.2165.5-179.4-64.3-173.3176.400111.6L162 A166L162-E164 WeakPolarHBondContact CB-O 3.22Å; E164-A166 PolarHBondContact O-N 2.9Å
165K93.6Very high95.3Very high92 Ų9282.4 Ų82.440%0.440%0.396SS..  trans-74.6124.1179.4-175.5169.2175170.70109.8T56 A109 L128 V167T56-K165 HydrophobicContact CG2-CD 4.22Å; T56-K165 HydrophobicContact CG2-CG 4.03Å; A109-K165 WeakPolarHBondContact O-CE 3.33Å; L128-K165 HydrophobicContact CD2-CB 4.48Å; K165-V167 WeakPolarHBondContact O-CG2 3.24Å; K165-V167 PolarHBondContact O-N 3.44Å; K165-V167 VanDerWaalsContact O-N 3.07Å
166A93.4Very high95.2Very high55 Ų5586.7 Ų86.746%0.45542%0.416SS..  trans-62.8110.7-179.300000111.7E164E164-A166 PolarHBondContact O-N 2.9Å
167V96.1Very high95Very high67 Ų6785.5 Ų85.541%0.40641%0.413SS..  trans-89.7130178-173.60000109.8P54 K165 Y170P54-V167 HydrophobicContact CB-CG1 3.8Å; P54-V167 HydrophobicContact CB-CG2 3.85Å; K165-V167 WeakPolarHBondContact O-CG2 3.24Å; K165-V167 PolarHBondContact O-N 3.44Å; K165-V167 VanDerWaalsContact O-N 3.07Å; V167-Y170 HydrophobicContact CG1-CD2 4.26Å; V167-Y170 HydrophobicContact CG1-CE1 4.34Å; V167-Y170 HydrophobicContact CG1-CE2 3.74Å
168Y96.1Very high94.8Very high126 Ų12690.6 Ų90.649%0.49444%0.438SS..  trans-100.3-45.5176.3174.7-112.5000112.3L55 Y57 A60L55-Y168 PolarHBondContact O-N 3.38Å; Y57-Y168 HydrophobicContact CD2-CD1 4.33Å; Y57-Y168 AromaticContact CD2-CD2 3.9Å; Y57-Y168 HydrophobicContact CD2-CD2 3.9Å; Y57-Y168 HydrophobicContact CD2-CE1 4.33Å; Y57-Y168 AromaticContact CD2-CE2 3.91Å; Y57-Y168 HydrophobicContact CD2-CE2 3.91Å; Y57-Y168 HydrophobicContact CD2-CG 4.11Å; Y57-Y168 HydrophobicContact CE2-CE2 4.32Å; A60-Y168 HydrophobicContact CB-CD1 3.59Å; A60-Y168 HydrophobicContact CB-CE1 4.12Å
169K94.9Very high94.6Very high81 Ų8191.8 Ų91.835%0.35244%0.444SS..EExtended strand (participates in β ladder)trans-153.1158.7177.972-177.8-167.4-166.70111.3L55 A60 V171L55-K169 HydrophobicContact CB-CG 4.42Å; L55-K169 PolarHBondContact N-O 2.99Å; L55-K169 PolarHBondContact O-N 3.26Å; A60-K169 HydrophobicContact CB-CD 3.88Å; A60-K169 VanDerWaalsContact CB-CE 3.45Å; A60-K169 HydrophobicContact CB-CG 4Å; A60-K169 PolarHBondContact O-NZ 3.26Å; K169-V171 HydrophobicContact CD-CG2 4.16Å; K169-V171 HydrophobicContact CG-CG2 4.05Å
170Y95.4Very high94.5Very high147 Ų14795.5 Ų95.558%0.57646%0.461SS*.EExtended strand (participates in β ladder)trans-103.9140.9172.7-68.4-91.3000110.6G51 K53 P54 V167G51-Y170 VanDerWaalsContact O-CB 3.32Å; G51-Y170 WeakPolarHBondContact O-CB 3.28Å; K53-Y170 WeakPolarHBondContact O-CA 3.23Å; P54-Y170 HydrophobicContact CB-CD1 4.14Å; P54-Y170 HydrophobicContact CB-CE1 3.71Å; P54-Y170 HydrophobicContact CG-CE1 4.47Å; V167-Y170 HydrophobicContact CG1-CD2 4.26Å; V167-Y170 HydrophobicContact CG1-CE1 4.34Å; V167-Y170 HydrophobicContact CG1-CE2 3.74Å
171V91Very high94.4Very high19 Ų1993.3 Ų93.312%0.11545%0.452CS..  trans-1390-172.5175.10000111.2I48 G49 G51 D52 K53 L55 K169I48-V171 VanDerWaalsContact CA-CG1 3.49Å; I48-V171 HydrophobicContact CB-CG1 4.05Å; I48-V171 HydrophobicContact CG1-CG1 3.88Å; I48-V171 HydrophobicContact CG2-CG1 4.21Å; G49-V171 WeakPolarHBondContact CA-OXT 3.26Å; G49-V171 PolarHBondContact N-OXT 3.06Å; G51-V171 CarbonylContact C-O 3.54Å; G51-V171 VanDerWaalsContact CA-C 3.43Å; G51-V171 WeakPolarHBondContact CA-O 3.38Å; G51-V171 PolarHBondContact N-O 3.48Å; G51-V171 PolarHBondContact N-OXT 3.09Å; D52-V171 PolarHBondContact N-O 3.01Å; K53-V171 VanDerWaalsContact CB-O 3.26Å; K53-V171 WeakPolarHBondContact CB-O 3.32Å; K53-V171 PolarHBondContact N-O 3.14Å; K53-V171 PolarHBondContact O-N 2.75Å; K53-V171 VanDerWaalsContact O-N 3.09Å; L55-V171 HydrophobicContact CD1-CB 3.85Å; L55-V171 HydrophobicContact CD1-CG1 4.44Å; L55-V171 HydrophobicContact CD1-CG2 3.52Å; L55-V171 HydrophobicContact CG-CB 4.36Å; L55-V171 HydrophobicContact CG-CG2 4.26Å; K169-V171 HydrophobicContact CD-CG2 4.16Å; K169-V171 HydrophobicContact CG-CG2 4.05Å

Retrieved 171 of 171 residues in 102.5 ms (Link to these results)