FGF13_PONAB Loading...

Fibroblast growth factor 13

Microtubule-binding protein which directly binds tubulin and is involved in both polymerization and stabilization of microtubules (By similarity). Through its action on microtubules, may participate in the refinement of axons by negatively regulating axonal and leading processes branching (By similarity). Plays a crucial role in neuron polarization and migration in the cerebral cortex and the hippocampus (By similarity). Regulates voltage-gated sodium channel transport and function (By similarity). May also play a role in MAPK signaling (By similarity). Required for the development of axonal initial segment-targeting inhibitory GABAergic synapses made by chandelier neurons (By similarity).

AlphaFold DB , UniProt , Accession Q5RDS9, Species PONAB (Pongo abelii, Sumatran orangutan), Gene FGF13, Length 245 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
1M55.1Low61.3Low227 Ų227109 Ų109100%1.11864%0.64SS**  0-260-94.5175-168.200115.3A3M1-A3 PolarHBondContact O-N 3.45Å
2A51.1Low62.2Low86 Ų86110.6 Ų110.671%0.71164%0.637SS**Hα-helixtrans-67.9-27.3-173.200000116.2A4A2-A4 VanDerWaalsContact C-N 3.35Å; A2-A4 PolarHBondContact O-N 3.18Å
3A56.1Low62.9Low80 Ų80115.4 Ų115.466%0.66165%0.646SS**Hα-helixtrans-70.2-24.6-174.700000114.8M1 S7M1-A3 PolarHBondContact O-N 3.45Å; A3-S7 PolarHBondContact O-OG 3.34Å; A3-S7 VanDerWaalsContact O-OG 3.1Å
4A60.4Low63.6Low74 Ų74121.2 Ų121.261%0.61265%0.653SS**Hα-helixtrans-73-31.5-178.400000112.6A2 S7A2-A4 VanDerWaalsContact C-N 3.35Å; A2-A4 PolarHBondContact O-N 3.18Å; A4-S7 PolarHBondContact O-N 3.39Å
5I59.6Low64.2Low116 Ų116121.5 Ų121.560%0.59565%0.648SS**Hα-helixtrans-75.7-36.8-176.9-56.6178000111.2S7 S8I5-S7 PolarHBondContact O-N 3.42Å; I5-S8 PolarHBondContact O-N 2.7Å; I5-S8 PolarHBondContact O-OG 2.87Å
6A59.2Low64.2Low58 Ų58117.7 Ų117.748%0.47964%0.639SS.*Hα-helixtrans-66.5-27.5176.900000112.9I10A6-I10 WeakPolarHBondContact O-CG1 3.49Å
7S61.7Low64.2Low77 Ų77122.5 Ų122.554%0.53865%0.646SS.*Hα-helixtrans-76.3-30.3-177.7-58.40000113.1A3 A4 I5A3-S7 PolarHBondContact O-OG 3.34Å; A3-S7 VanDerWaalsContact O-OG 3.1Å; A4-S7 PolarHBondContact O-N 3.39Å; I5-S7 PolarHBondContact O-N 3.42Å
8S66Low64.2Low63 Ų63123.6 Ų123.644%0.44165%0.647SS.*Hα-helixtrans-75.6-36.7179.277.10000112.5I5 I10 R11 Q12I5-S8 PolarHBondContact O-N 2.7Å; I5-S8 PolarHBondContact O-OG 2.87Å; S8-I10 VanDerWaalsContact C-N 3.33Å; S8-I10 PolarHBondContact O-N 3.29Å; S8-R11 PolarHBondContact O-N 3.3Å; S8-Q12 PolarHBondContact O-N 3.21Å
9L64.7Low64Low107 Ų107126.8 Ų126.856%0.5665%0.649SS**Hα-helixtrans-65.5-32.4179.2-81.5163000113.2K13L9-K13 PolarHBondContact O-N 3.1Å
10I67Low63.8Low114 Ų114127.9 Ų127.959%0.58565%0.651SS**Hα-helixtrans-72.6-34.6177.9-63.5168.1000111.3A6 S8 R14A6-I10 WeakPolarHBondContact O-CG1 3.49Å; S8-I10 VanDerWaalsContact C-N 3.33Å; S8-I10 PolarHBondContact O-N 3.29Å; I10-R14 PolarHBondContact O-N 3.47Å
11R73.5Confident63.4Low197 Ų197129.4 Ų129.474%0.74365%0.654SS**Hα-helixtrans-69.5-43176-86.7-173.5178.5-138.50.9112.2S8 K13 R14 Q15S8-R11 PolarHBondContact O-N 3.3Å; R11-K13 VanDerWaalsContact C-N 3.34Å; R11-K13 PolarHBondContact O-N 2.94Å; R11-R14 PolarHBondContact O-N 3.31Å; R11-Q15 PolarHBondContact O-N 3.06Å; R11-Q15 VanDerWaalsContact O-N 3.17Å
12Q71.5Confident63.4Low128 Ų128122.4 Ų122.460%0.59863%0.627SS**Hα-helixtrans-63-39.9178.1-75.6-176-17.400112.1S8 R14 Q15 A16S8-Q12 PolarHBondContact O-N 3.21Å; Q12-R14 VanDerWaalsContact C-N 3.33Å; Q12-R14 PolarHBondContact O-N 2.92Å; Q12-Q15 PolarHBondContact O-N 2.85Å; Q12-A16 PolarHBondContact O-N 2.68Å; Q12-A16 VanDerWaalsContact O-N 3.16Å
13K71.4Confident63.4Low173 Ų173124.4 Ų124.475%0.75263%0.626SS**Hα-helixtrans-70.3-25.7179.7-154.5168.9-175.1173.30113.5L9 R11L9-K13 PolarHBondContact O-N 3.1Å; R11-K13 VanDerWaalsContact C-N 3.34Å; R11-K13 PolarHBondContact O-N 2.94Å
14R73.8Confident63Low197 Ų197124.7 Ų124.774%0.74363%0.628SS**Hα-helixtrans-73.9-40.6170.5-88.9-175.9172.2-176.5-2.3112.4I10 R11 Q12 A16 R17 E18I10-R14 PolarHBondContact O-N 3.47Å; R11-R14 PolarHBondContact O-N 3.31Å; Q12-R14 VanDerWaalsContact C-N 3.33Å; Q12-R14 PolarHBondContact O-N 2.92Å; R14-A16 PolarHBondContact O-N 3.32Å; R14-R17 PolarHBondContact O-N 2.79Å; R14-E18 PolarHBondContact O-N 3.4Å
15Q72.5Confident62.2Low125 Ų125125.8 Ų125.858%0.58463%0.63SS**Hα-helixtrans-67.6-33.1179.7-72.2179.8-13.700113.2R11 Q12 R19R11-Q15 PolarHBondContact O-N 3.06Å; R11-Q15 VanDerWaalsContact O-N 3.17Å; Q12-Q15 PolarHBondContact O-N 2.85Å; Q15-R19 PolarHBondContact O-N 3.41Å
16A62.9Low61.3Low61 Ų61129.6 Ų129.650%0.50464%0.642SS.*Hα-helixtrans-66.6-35.4175.800000112.9Q12 R14 R19 E20Q12-A16 PolarHBondContact O-N 2.68Å; Q12-A16 VanDerWaalsContact O-N 3.16Å; R14-A16 PolarHBondContact O-N 3.32Å; A16-R19 PolarHBondContact O-N 3.44Å; A16-E20 PolarHBondContact O-N 3.04Å
17R65.5Low60.1Low199 Ų199131.8 Ų131.875%0.75165%0.653SS**Hα-helixtrans-76.1-28.4-178.6-129.3177.4-174.4-122.40.8113.5R14R14-R17 PolarHBondContact O-N 2.79Å
18E64.3Low58.8Low142 Ų142135.1 Ų135.166%0.66467%0.67SS**Hα-helixtrans-69.5-35.7173.3-74.8-83.2126.600111.5R14 K21 S22R14-E18 PolarHBondContact O-N 3.4Å; E18-K21 PolarHBondContact O-N 2.86Å; E18-S22 PolarHBondContact O-N 2.82Å
19R59.7Low57.3Low185 Ų185137.3 Ų137.370%0.69869%0.685SS**Hα-helixtrans-70.6-29.9178.4-70.5-178.3-180-166.40114.1Q15 A16 K21 S22Q15-R19 PolarHBondContact O-N 3.41Å; A16-R19 PolarHBondContact O-N 3.44Å; R19-K21 VanDerWaalsContact C-N 3.35Å; R19-S22 PolarHBondContact O-OG 3.5Å
20E59Low56.4Low148 Ų148138.1 Ų138.169%0.69270%0.7SS**Hα-helixtrans-72.9-30.2173.5-75.6-171.9146.800112.1A16 N23A16-E20 PolarHBondContact O-N 3.04Å; E20-N23 PolarHBondContact O-N 2.94Å
21K56.5Low55.5Low161 Ų161139.1 Ų139.170%0.771%0.714SS**Hα-helixtrans-76.1-28.5-178.6-145.2176-177.8-171.40112.7E18 R19E18-K21 PolarHBondContact O-N 2.86Å; R19-K21 VanDerWaalsContact C-N 3.35Å
22S54.5Low53.7Low79 Ų79135 Ų13555%0.55272%0.715SS**Hα-helixtrans-74.6-21.6174.556.20000114E18 R19E18-S22 PolarHBondContact O-N 2.82Å; R19-S22 PolarHBondContact O-OG 3.5Å
23N52.4Low52.3Low129 Ų129139.4 Ų139.469%0.6973%0.732SS**Hα-helixtrans-91-11.7-178.5-75.3-14.1000114.2E20E20-N23 PolarHBondContact O-N 2.94Å
24A47.5Very low50.9Low85 Ų85134.8 Ų134.870%0.70273%0.734SS**THydrogen-bonded Turntrans-84.5-3.3179.800000114.4
25C42.9Very low49.1Very low98 Ų98135 Ų13566%0.66274%0.74SS**THydrogen-bonded Turntrans-99.416.5-173.8-66.60000115.4C27C25-C27 PolarHBondContact O-N 2.77Å
26K40.9Very low47.6Very low195 Ų195136.3 Ų136.385%0.84876%0.757SS**  trans-88.979.8172.3-72.4-174.8179.1178.10110.9
27C33.8Very low46.4Very low104 Ų104138.1 Ų138.170%0.70377%0.766SS**  trans-45.6131.5164.5-52.50000110.7C25C25-C27 PolarHBondContact O-N 2.77Å
28V35Very low45.2Very low147 Ų147134.5 Ų134.589%0.89177%0.769SS**  56.991.670.6-172.20000112.4
29S34.3Very low43.9Very low110 Ų110134.7 Ų134.777%0.76978%0.775SS**  trans-165.8113.4160.755.90000110.9
30S45.5Very low43.4Very low124 Ų124135.4 Ų135.487%0.86778%0.783SS**  trans-151.6123.5155.4-75.80000109.7
31P47.1Very low42.4Very low134 Ų134135.6 Ų135.687%0.8779%0.789SS**  trans-99158.8-174.529.4-16.8000114.1
32S36.7Very low42.3Very low111 Ų111137.7 Ų137.778%0.77680%0.798SS**  trans-81138.9176.256.50000114.1
33K42.7Very low41.9Very low220 Ų220142.5 Ų142.596%0.95782%0.817SS**  trans170143.6152.5-95165.2-176-175.20106.4
34G40.4Very low41.7Very low76 Ų76143.8 Ų143.878%0.78482%0.824SS**  cis-168.9175.81300000110.9
35K36.9Very low42.1Very low203 Ų203145.6 Ų145.688%0.88383%0.826SS**  trans-66.2142.9-177.3-71.9171.2169.6174.40113.7
36T41.8Very low42.3Very low151 Ų151150.7 Ų150.793%0.92684%0.837SS**  trans-164.4146.2137.912.70000113.3
37S37Very low42.9Very low100 Ų100146.3 Ų146.370%0.69983%0.831SS**  trans-65.8149.9-175.6175.60000114.9
38C39.9Very low43.7Very low122 Ų122153 Ų15382%0.82484%0.841SS**  173.4135.6120.1-93.30000112.7
39D37.9Very low44.7Very low147 Ų147151.1 Ų151.179%0.78683%0.83SS**  trans-53.8146.1173.9-65.8-73.3000114.4
40K48.6Very low45.7Very low199 Ų199154.4 Ų154.487%0.86583%0.83SS**  176.3122.7120.4-93.6160.3-172.8178.80111.5
41N38.4Very low46.1Very low153 Ų153155.9 Ų155.982%0.81883%0.828SS**  trans17.8117.7146.4-74.9-10.1000117.8
42K52.9Low46.4Very low205 Ų205158 Ų15889%0.89182%0.824SS**  -162.9113.2126.7-103.5158.1-170.9-172.10109.7N44K42-N44 PolarHBondContact O-N 2.83Å
43L47.2Very low47Very low180 Ų180156 Ų15694%0.94282%0.82SS**  trans-38120.2161.2-65158.8000108.8
44N48.4Very low47.7Very low156 Ų156150.5 Ų150.583%0.83481%0.81SS**  trans-128.4121.3165.9-127-4.1000110.8K42K42-N44 PolarHBondContact O-N 2.83Å
45V56.1Low48.5Very low123 Ų123156.3 Ų156.375%0.74581%0.813SS**  trans-54.8131.2-173.7168.10000110.4S47V45-S47 PolarHBondContact O-N 2.87Å
46F46.6Very low49.4Very low205 Ų205156 Ų15690%0.89981%0.812SS**  trans-5893.7171.5-69.6-90.9000110.6R48F46-R48 PolarHBondContact O-N 2.78Å
47S53Low50Low103 Ų103159.9 Ų159.972%0.7281%0.81SS**  trans-85.592.416244.50000108.6V45 V49V45-S47 PolarHBondContact O-N 2.87Å; S47-V49 PolarHBondContact O-N 2.77Å
48R50.7Low51Low243 Ų243166.5 Ų166.592%0.91782%0.819SS**  trans-60.981.5166.6-114.8179.1176.1169.7-0.3109.2F46 K50F46-R48 PolarHBondContact O-N 2.78Å; R48-K50 PolarHBondContact O-N 2.77Å
49V55.7Low52Low108 Ų108172 Ų17266%0.65582%0.823SS**  trans-81.4100.8166.3-175.60000107.2S47 L51S47-V49 PolarHBondContact O-N 2.77Å; V49-L51 PolarHBondContact O-N 2.88Å
50K55.3Low53.3Low179 Ų179176.7 Ų176.778%0.77883%0.829SS**  trans-63.588.1160.8-80.9-177.4178.3172.90107.1R48 F52R48-K50 PolarHBondContact O-N 2.77Å; K50-F52 HydrophobicContact CB-CE2 4.48Å; K50-F52 PolarHBondContact O-N 2.84Å
51L55.2Low54.1Low156 Ų156178.1 Ų178.182%0.81783%0.829SS**  trans-61.995.3158.3-97.7138.3000105.9V49 G53V49-L51 PolarHBondContact O-N 2.88Å; L51-G53 PolarHBondContact O-N 2.85Å
52F53.3Low55.6Low179 Ų179176.5 Ų176.579%0.78583%0.827SS**  trans-54.995.6158.9-80-89.3000106.2K50 S54K50-F52 HydrophobicContact CB-CE2 4.48Å; K50-F52 PolarHBondContact O-N 2.84Å; F52-S54 PolarHBondContact O-N 3.28Å
53G48.3Very low56.4Low67 Ų67172.1 Ų172.169%0.69181%0.81SS**  trans-64.78417100000107.4L51 K55L51-G53 PolarHBondContact O-N 2.85Å; G53-K55 PolarHBondContact O-N 3.26Å
54S57Low57.4Low106 Ų106167.6 Ų167.674%0.74179%0.791SS**  trans-51.999.8160.8-71.90000105.8F52 K56F52-S54 PolarHBondContact O-N 3.28Å; S54-K56 PolarHBondContact O-N 3.32Å
55K57.5Low59Low197 Ų197166.1 Ų166.186%0.85778%0.779SS**  trans-52.992.2164.3-77.8179.8176.4173.20105G53 R57G53-K55 PolarHBondContact O-N 3.26Å; K55-R57 PolarHBondContact O-N 3.45Å
56K56.3Low60.7Low196 Ų196162 Ų16285%0.85275%0.752SS**  trans-57.794164.7-91.2-177.1175.3174.40103.8S54 R58S54-K56 PolarHBondContact O-N 3.32Å; K56-R58 VanDerWaalsContact C-N 3.3Å; K56-R58 PolarHBondContact O-N 2.88Å
57R54.9Low62.9Low234 Ų234159.2 Ų159.288%0.88374%0.74SS**  trans-50.7107.3164.7-69.3-178.2991665.3103.2K55 R59K55-R57 PolarHBondContact O-N 3.45Å; R57-R59 VanDerWaalsContact C-N 3.3Å; R57-R59 PolarHBondContact O-N 2.96Å
58R57.2Low64.9Low238 Ų238154.5 Ų154.590%0.89871%0.708SS**  trans-52.3104.5171.8-84.9-176.4159.2-176-4.5104.5K56 R60K56-R58 VanDerWaalsContact C-N 3.3Å; K56-R58 PolarHBondContact O-N 2.88Å; R58-R60 PolarHBondContact O-N 3.38Å
59R62.4Low67.1Low238 Ų238145 Ų14590%0.89868%0.675SS**  trans-53.2112.9171.1-81.1-173171.8179.4-2.4104.4R57 R61R57-R59 VanDerWaalsContact C-N 3.3Å; R57-R59 PolarHBondContact O-N 2.96Å; R59-R61 PolarHBondContact O-N 3.12Å
60R64Low69.1Low245 Ų245140.4 Ų140.493%0.92565%0.647SS**PPolyproline II helixtrans-53.5116.2175.1-76.5-173.1169.7176.9-3.2105.3R58R58-R60 PolarHBondContact O-N 3.38Å
61R65.2Low71.2Confident230 Ų230131.9 Ų131.987%0.86861%0.61SS**PPolyproline II helixtrans-56.4132.1173.1-73.1-174.9175.1-179.5-1.7106.1R59 E63R59-R61 PolarHBondContact O-N 3.12Å; R61-E63 PolarHBondContact O-N 3.18Å
62P71.4Confident73.2Confident118 Ų118126.9 Ų126.977%0.76658%0.581SS**PPolyproline II helixtrans-51.3133.2173.5-22.932000108.5
63E69.4Low75.3Confident114 Ų114118.3 Ų118.353%0.53354%0.544SS..PPolyproline II helixtrans-57.1141.6174.5-69-166.9152.400109.1R61 Q65 K205R61-E63 PolarHBondContact O-N 3.18Å; E63-Q65 PolarHBondContact O-N 2.87Å; E63-Q65 VanDerWaalsContact O-N 3.15Å; E63-K205 IonicContact OE1-NZ 2.83Å; E63-K205 PolarHBondContact OE1-NZ 3.45Å; E63-K205 WeakPolarHBondContact OE2-CD 3.35Å; E63-K205 VanDerWaalsContact OE2-CE 3.27Å; E63-K205 WeakPolarHBondContact OE2-CE 3.45Å; E63-K205 IonicContact OE2-NZ 3.89Å; E63-K205 PolarHBondContact OE2-NZ 3.28Å
64P68.4Low77.7Confident84 Ų84118.7 Ų118.755%0.54553%0.525SS..PPolyproline II helixtrans-55.7121.9176-21.931.9000110.2
65Q81.5Confident79.7Confident126 Ų126113.7 Ų113.759%0.58949%0.49SS*.EExtended strand (participates in β ladder)trans-107.9120.4175-60.4-176.29.800109.3E63 M203 Y204E63-Q65 PolarHBondContact O-N 2.87Å; E63-Q65 VanDerWaalsContact O-N 3.15Å; Q65-M203 HydrophobicContact CB-CB 4.47Å; Q65-M203 HydrophobicContact CB-CE 3.43Å; Q65-M203 VanDerWaalsContact CB-CE 3.43Å; Q65-Y204 CarbonylContact C-O 3.58Å; Q65-Y204 WeakPolarHBondContact CA-O 3.35Å
66L90.6Very high81.6Confident35 Ų35109.3 Ų109.318%0.18347%0.468CS..EExtended strand (participates in β ladder)trans-86.2131174.8-59.8174000109.2G68 I105 P106 M203 Y204 E206L66-G68 PolarHBondContact O-N 2.76Å; L66-I105 HydrophobicContact CB-CG2 4.36Å; L66-I105 HydrophobicContact CD1-CG2 3.8Å; L66-P106 HydrophobicContact CB-CG 4.43Å; L66-P106 WeakPolarHBondContact CD1-O 3.06Å; L66-M203 CarbonylContact O-C 3.57Å; L66-M203 WeakPolarHBondContact O-CA 3.24Å; L66-Y204 PolarHBondContact N-O 3.48Å; L66-Y204 PolarHBondContact O-N 3.46Å; L66-E206 HydrophobicContact CD1-CB 3.93Å; L66-E206 HydrophobicContact CD1-CG 4.07Å; L66-E206 HydrophobicContact CG-CB 4.27Å
67K93.4Very high83.5Confident147 Ų147102 Ų10264%0.63944%0.437SS*.EExtended strand (participates in β ladder)trans-87.797.4175.8-173.2179.2-176.6-179.70109.4P106 V201 M203K67-P106 WeakPolarHBondContact O-CG 3.39Å; K67-V201 HydrophobicContact CD-CG1 4.25Å; K67-V201 VanDerWaalsContact CE-CG1 3.47Å; K67-V201 HydrophobicContact CG-CG1 3.73Å; K67-M203 HydrophobicContact CB-CE 4.25Å; K67-M203 HydrophobicContact CB-SD 3.87Å; K67-M203 HydrophobicContact CG-SD 3.98Å
68G95.3Very high85.6Confident4 Ų492.2 Ų92.24%0.04141%0.408CS..EExtended strand (participates in β ladder)trans-106.8-167.4175.800000112.5L66 L104 A202L66-G68 PolarHBondContact O-N 2.76Å; G68-L104 VanDerWaalsContact CA-O 3.27Å; G68-L104 WeakPolarHBondContact CA-O 3.29Å; G68-A202 CarbonylContact C-O 3.55Å; G68-A202 PolarHBondContact N-O 2.96Å; G68-A202 PolarHBondContact O-N 2.99Å; G68-A202 VanDerWaalsContact O-O 3.13Å
69I97.2Very high87.6Confident45 Ų4582.4 Ų82.423%0.23137%0.372CS..EExtended strand (participates in β ladder)trans-131.6151.9176.760.3173.9000110.8T71 L104 P198 K200 V201 Y204I69-T71 HydrophobicContact CD1-CG2 4.18Å; I69-T71 HydrophobicContact CG1-CG2 4.32Å; I69-L104 HydrophobicContact CD1-CB 4.41Å; I69-L104 HydrophobicContact CD1-CD2 4.37Å; I69-L104 HydrophobicContact CG1-CB 3.72Å; I69-L104 PolarHBondContact N-O 3.38Å; I69-L104 VanDerWaalsContact N-O 3.13Å; I69-L104 PolarHBondContact O-N 2.72Å; I69-P198 HydrophobicContact CD1-CB 4.22Å; I69-P198 HydrophobicContact CD1-CG 4.17Å; I69-K200 CarbonylContact C-O 3.49Å; I69-K200 WeakPolarHBondContact CA-O 3.49Å; I69-V201 HydrophobicContact CG2-CG2 4.26Å; I69-Y204 PolarHBondContact O-OH 3.16Å
70V98.1Very high89.3Confident11 Ų1171.3 Ų71.37%0.06733%0.33CS..EExtended strand (participates in β ladder)trans-92.7124160-179.30000106.3L101 F102 V117 L199 K200 A202 Y204V70-L101 HydrophobicContact CG1-CD2 4.42Å; V70-F102 CarbonylContact C-O 3.48Å; V70-F102 WeakPolarHBondContact CA-O 3.38Å; V70-V117 HydrophobicContact CG1-CG2 4.13Å; V70-L199 HydrophobicContact CG1-CD2 4.41Å; V70-L199 WeakPolarHBondContact O-CB 3.15Å; V70-L199 PolarHBondContact O-N 3.48Å; V70-K200 HydrophobicContact CB-CG 4.01Å; V70-K200 HydrophobicContact CG2-CG 4.07Å; V70-K200 PolarHBondContact N-O 2.47Å; V70-K200 PolarHBondContact O-N 3.21Å; V70-A202 HydrophobicContact CG2-CB 4.32Å; V70-Y204 WeakPolarHBondContact CG2-OH 3.2Å
71T98.1Very high90.9Very high0 Ų059.6 Ų59.60%029%0.286CS..EExtended strand (participates in β ladder)trans-144.1154.3-173.8-170.30000110.8I69 L73 F102 L104 K197I69-T71 HydrophobicContact CD1-CG2 4.18Å; I69-T71 HydrophobicContact CG1-CG2 4.32Å; T71-L73 HydrophobicContact CG2-CD2 4.18Å; T71-F102 PolarHBondContact N-O 2.89Å; T71-F102 PolarHBondContact O-N 3.25Å; T71-L104 HydrophobicContact CG2-CB 4.15Å; T71-L104 HydrophobicContact CG2-CD1 4.27Å; T71-L104 HydrophobicContact CG2-CD2 4.43Å; T71-K197 WeakPolarHBondContact CA-O 3.32Å; T71-K197 PolarHBondContact OG1-N 3.3Å; T71-K197 PolarHBondContact OG1-O 3.35Å; T71-K197 VanDerWaalsContact OG1-O 3.05Å
72K98Very high92.5Very high50 Ų5049.6 Ų49.622%0.21725%0.249CC..EExtended strand (participates in β ladder)trans-90.2152.3157.2-60.6-177.7179.5173.90108.9E95 T100 L101 P196 K197K72-E95 PolarHBondContact NZ-O 3.16Å; K72-T100 WeakPolarHBondContact CE-OG1 3.43Å; K72-L101 HydrophobicContact CG-CD2 3.93Å; K72-P196 WeakPolarHBondContact O-CA 3.31Å; K72-K197 HydrophobicContact CB-CB 4.34Å; K72-K197 PolarHBondContact N-O 3.19Å; K72-K197 PolarHBondContact O-N 3.44Å
73L98.1Very high93.7Very high0 Ų044 Ų440%021%0.212CC..EExtended strand (participates in β ladder)trans-113.6101.2174.9-66.9177.3000108.9T71 L81 F102 L104 I114 Y155 F194 P196T71-L73 HydrophobicContact CG2-CD2 4.18Å; L73-L81 HydrophobicContact CB-CB 4.05Å; L73-L81 HydrophobicContact CB-CD2 4.4Å; L73-L81 HydrophobicContact CD1-CD2 3.9Å; L73-L81 PolarHBondContact O-N 3.41Å; L73-F102 HydrophobicContact CD1-CD2 4.49Å; L73-L104 HydrophobicContact CD1-CD1 4.45Å; L73-I114 HydrophobicContact CD1-CD1 4.47Å; L73-I114 HydrophobicContact CD1-CG2 4.25Å; L73-Y155 HydrophobicContact CD1-CE2 4.25Å; L73-Y155 HydrophobicContact CD2-CE2 4.04Å; L73-F194 HydrophobicContact CB-CD1 4.21Å; L73-P196 HydrophobicContact CD2-CB 4.2Å; L73-P196 HydrophobicContact CD2-CG 4.17Å
74Y98.1Very high95.1Very high75 Ų7541.4 Ų41.429%0.29420%0.2SC..EExtended strand (participates in β ladder)trans-86.2115.8179.4-179.2-107.8000110.1H80 F194 L195Y74-H80 AromaticContact CD2-CD2 3.58Å; Y74-H80 AromaticContact CD2-NE2 3.51Å; Y74-F194 CarbonylContact O-C 3.6Å; Y74-F194 WeakPolarHBondContact O-CA 3.48Å; Y74-L195 HydrophobicContact CD1-CB 4.47Å; Y74-L195 PolarHBondContact N-O 2.81Å; Y74-L195 PolarHBondContact O-N 3.21Å
75S98.2Very high96.5Very high0 Ų040.8 Ų40.80%020%0.203CC..EExtended strand (participates in β ladder)trans-73.7140.4175.2179.70000110.7Q77 G78 Y79S75-Q77 PolarHBondContact O-N 3.33Å; S75-Q77 WeakPolarHBondContact OG-CB 3.49Å; S75-Q77 WeakPolarHBondContact OG-CG 3.27Å; S75-Q77 PolarHBondContact OG-N 3.42Å; S75-G78 PolarHBondContact O-N 3.01Å; S75-Y79 VanDerWaalsContact CB-O 3.3Å; S75-Y79 WeakPolarHBondContact CB-O 3.38Å; S75-Y79 PolarHBondContact N-O 2.86Å
76R97.6Very high97.2Very high106 Ų10640.1 Ų40.140%0.420%0.203SC..THydrogen-bonded Turntrans-56.8-19.6171.7-174.6177.5173.9173.1-7.2112.5G78 Y152 P190 H193R76-G78 PolarHBondContact O-N 2.86Å; R76-Y152 HydrophobicContact CB-CD1 4.48Å; R76-Y152 HydrophobicContact CB-CE1 3.95Å; R76-Y152 VanDerWaalsContact CD-CZ 3.48Å; R76-Y152 HydrophobicContact CG-CE1 3.91Å; R76-P190 HydrophobicContact CG-CB 4.28Å; R76-H193 HydrophobicContact CB-CB 3.76Å; R76-H193 WeakPolarHBondContact CB-O 3.23Å; R76-H193 WeakPolarHBondContact CD-ND1 3.4Å; R76-H193 PolarHBondContact N-O 3.3Å; R76-H193 PolarHBondContact NH1-ND1 3.32Å
77Q97.5Very high97.5Very high43 Ų4339 Ų3920%0.20120%0.2CC..THydrogen-bonded Turntrans-71.4-6.8176.1-57.7-66.695.400113.8S75 Y79 N174S75-Q77 PolarHBondContact O-N 3.33Å; S75-Q77 WeakPolarHBondContact OG-CB 3.49Å; S75-Q77 WeakPolarHBondContact OG-CG 3.27Å; S75-Q77 PolarHBondContact OG-N 3.42Å; Q77-Y79 HydrophobicContact CB-CD2 4.13Å; Q77-Y79 WeakPolarHBondContact O-CD2 3.35Å; Q77-Y79 WeakPolarHBondContact O-CE2 3.39Å; Q77-N174 WeakPolarHBondContact CB-O 3.5Å; Q77-N174 VanDerWaalsContact CG-O 3.29Å; Q77-N174 WeakPolarHBondContact CG-O 3.48Å; Q77-N174 PolarHBondContact NE2-O 3.19Å
78G97.8Very high97.7Very high27 Ų2735 Ų3528%0.27819%0.188SC..THydrogen-bonded Turntrans97.120.3177.300000114.9S75 R76S75-G78 PolarHBondContact O-N 3.01Å; R76-G78 PolarHBondContact O-N 2.86Å
79Y98.5Very high97.8Very high33 Ų3335.3 Ų35.313%0.12919%0.189CC..EExtended strand (participates in β ladder)trans-130.7144.8-176.9-59.8-92.7000111S75 Q77 G91 T92 K93 K175S75-Y79 VanDerWaalsContact CB-O 3.3Å; S75-Y79 WeakPolarHBondContact CB-O 3.38Å; S75-Y79 PolarHBondContact N-O 2.86Å; Q77-Y79 HydrophobicContact CB-CD2 4.13Å; Q77-Y79 WeakPolarHBondContact O-CD2 3.35Å; Q77-Y79 WeakPolarHBondContact O-CE2 3.39Å; Y79-G91 WeakPolarHBondContact CD1-O 3.43Å; Y79-T92 CarbonylContact C-O 3.53Å; Y79-T92 WeakPolarHBondContact CA-O 3.32Å; Y79-K93 HydrophobicContact CD1-CG 3.85Å; Y79-K93 HydrophobicContact CE1-CD 4.27Å; Y79-K93 HydrophobicContact CE1-CG 3.85Å; Y79-K175 VanDerWaalsContact CE2-O 3.27Å; Y79-K175 WeakPolarHBondContact CE2-O 3.32Å; Y79-K175 PolarHBondContact OH-O 3.36Å
80H98.3Very high97.9Very high4 Ų435.2 Ų35.22%0.01919%0.189CC..EExtended strand (participates in β ladder)trans-79.7127.6163.6-80.5-102000109.2Y74 Q82 G91 T92 E95 T100 K197Y74-H80 AromaticContact CD2-CD2 3.58Å; Y74-H80 AromaticContact CD2-NE2 3.51Å; H80-Q82 PolarHBondContact O-N 3.06Å; H80-G91 CarbonylContact O-C 3.56Å; H80-G91 WeakPolarHBondContact O-CA 3.18Å; H80-T92 HydrophobicContact CB-CG2 4.17Å; H80-T92 PolarHBondContact N-O 2.72Å; H80-T92 PolarHBondContact O-N 3.22Å; H80-E95 IonicContact NE2-OE1 3.65Å; H80-T100 HydrophobicContact CB-CG2 3.87Å; H80-K197 PolarHBondContact CE1-NZ 3.36Å; H80-K197 PolarHBondContact NE2-NZ 3.34Å; H80-K197 VanDerWaalsContact NE2-NZ 3.14Å
81L98.4Very high97.9Very high0 Ų035.2 Ų35.20%019%0.191CC..EExtended strand (participates in β ladder)trans-57.5137.2170.5-17070000108.7L73 I89 T100 F102 L123 L171 L173L73-L81 HydrophobicContact CB-CB 4.05Å; L73-L81 HydrophobicContact CB-CD2 4.4Å; L73-L81 HydrophobicContact CD1-CD2 3.9Å; L73-L81 PolarHBondContact O-N 3.41Å; L81-I89 HydrophobicContact CD1-CG2 4.05Å; L81-T100 WeakPolarHBondContact O-CA 3.28Å; L81-F102 HydrophobicContact CB-CE2 4.03Å; L81-F102 HydrophobicContact CB-CZ 4.39Å; L81-F102 HydrophobicContact CD2-CE2 4.05Å; L81-F102 HydrophobicContact CD2-CZ 3.91Å; L81-F102 HydrophobicContact CG-CE2 4.05Å; L81-F102 HydrophobicContact CG-CZ 3.91Å; L81-F102 WeakPolarHBondContact O-CE2 3.22Å; L81-L123 HydrophobicContact CD2-CD1 3.98Å; L81-L171 HydrophobicContact CD1-CD1 4.47Å; L81-L171 HydrophobicContact CD2-CD2 4.1Å; L81-L173 HydrophobicContact CD1-CD1 4.37Å; L81-L173 HydrophobicContact CD1-CD2 4.13Å; L81-L173 HydrophobicContact CD1-CG 4.44Å
82Q98Very high97.9Very high19 Ų1936.5 Ų36.59%0.08920%0.198CC..EExtended strand (participates in β ladder)trans-131.2143.3-179.6176.8168.2-18.500109.6H80 Q84 D90 T92 T100H80-Q82 PolarHBondContact O-N 3.06Å; Q82-Q84 HydrophobicContact CG-CG 3.98Å; Q82-D90 PolarHBondContact N-O 3.41Å; Q82-D90 PolarHBondContact O-N 3.15Å; Q82-T92 HydrophobicContact CB-CG2 4.07Å; Q82-T100 HydrophobicContact CB-CG2 4.32Å
83L98.3Very high97.8Very high1 Ų141.1 Ų41.11%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-125.9100.2171169.250.9000108.5I89 Y99 F102 L121 L123 T133L83-I89 HydrophobicContact CD1-CG1 4.16Å; L83-Y99 PolarHBondContact N-O 3.08Å; L83-Y99 VanDerWaalsContact N-O 3.08Å; L83-Y99 WeakPolarHBondContact O-CB 3.38Å; L83-Y99 VanDerWaalsContact O-CD1 3.23Å; L83-Y99 WeakPolarHBondContact O-CD1 3.49Å; L83-F102 HydrophobicContact CB-CE1 3.71Å; L83-F102 HydrophobicContact CB-CZ 3.87Å; L83-F102 HydrophobicContact CD2-CE1 4.22Å; L83-L121 HydrophobicContact CD2-CB 4.13Å; L83-L123 HydrophobicContact CD2-CD2 4.1Å; L83-T133 HydrophobicContact CD1-CG2 3.34Å; L83-T133 HydrophobicContact CD2-CG2 4.33Å; L83-T133 HydrophobicContact CG-CG2 4.49Å
84Q97.8Very high97.8Very high59 Ų5945 Ų4528%0.27624%0.239SC..  trans-70.8164.4-175.2-67.4-172.362.700112.4Q82 D86 G87 T88 D90 T119Q82-Q84 HydrophobicContact CG-CG 3.98Å; Q84-D86 WeakPolarHBondContact CB-OD1 3.38Å; Q84-D86 PolarHBondContact O-N 2.87Å; Q84-G87 PolarHBondContact O-N 3.43Å; Q84-T88 PolarHBondContact N-O 3.46Å; Q84-D90 PolarHBondContact NE2-OD1 3.4Å; Q84-D90 PolarHBondContact NE2-OD2 2.86Å; Q84-T119 WeakPolarHBondContact O-CG2 3.47Å
85A97.3Very high97.4Very high72 Ų7246.5 Ų46.560%0.59525%0.249SC*.THydrogen-bonded Turntrans-62.4-28.2-177.300000114.1G87 Y99A85-G87 VanDerWaalsContact C-N 3.27Å; A85-Y99 HydrophobicContact CB-CE1 3.9Å
86D96.5Very high97.3Very high112 Ų11253.3 Ų53.360%0.59929%0.286SS*.THydrogen-bonded Turntrans-78.9-6.1176.765.6-15.9000113.5Q84 T88Q84-D86 WeakPolarHBondContact CB-OD1 3.38Å; Q84-D86 PolarHBondContact O-N 2.87Å; D86-T88 VanDerWaalsContact OD1-CB 3.24Å; D86-T88 WeakPolarHBondContact OD1-CB 3.4Å; D86-T88 PolarHBondContact OD1-N 3.29Å; D86-T88 PolarHBondContact OD1-OG1 3.35Å; D86-T88 WeakPolarHBondContact OD2-CB 3.3Å; D86-T88 PolarHBondContact OD2-OG1 2.94Å
87G96.4Very high97.2Very high12 Ų1248.9 Ų48.912%0.12427%0.271CS..SBendtrans90.72.7-174.200000114.4Q84 A85 T133Q84-G87 PolarHBondContact O-N 3.43Å; A85-G87 VanDerWaalsContact C-N 3.27Å; G87-T133 WeakPolarHBondContact O-CG2 3.38Å
88T97.8Very high97.2Very high61 Ų6150.2 Ų50.237%0.37428%0.282SS..  trans-68.7134.1176.3-62.80000110.7Q84 D86Q84-T88 PolarHBondContact N-O 3.46Å; D86-T88 VanDerWaalsContact OD1-CB 3.24Å; D86-T88 WeakPolarHBondContact OD1-CB 3.4Å; D86-T88 PolarHBondContact OD1-N 3.29Å; D86-T88 PolarHBondContact OD1-OG1 3.35Å; D86-T88 WeakPolarHBondContact OD2-CB 3.3Å; D86-T88 PolarHBondContact OD2-OG1 2.94Å
89I98.3Very high97.2Very high12 Ų1253 Ų536%0.06228%0.284CS..EExtended strand (participates in β ladder)trans-112.4119.1179-53.5157.9000108.2L81 L83 L123 L131 T133 I179L81-I89 HydrophobicContact CD1-CG2 4.05Å; L83-I89 HydrophobicContact CD1-CG1 4.16Å; I89-L123 HydrophobicContact CD1-CD2 3.53Å; I89-L123 HydrophobicContact CG1-CD2 3.7Å; I89-L123 HydrophobicContact CG2-CD2 4.25Å; I89-L131 HydrophobicContact CD1-CB 4.21Å; I89-T133 HydrophobicContact CD1-CG2 3.95Å; I89-T133 HydrophobicContact CG1-CG2 3.94Å; I89-I179 HydrophobicContact CG2-CD1 4.06Å; I89-I179 HydrophobicContact CG2-CG1 4.38Å; I89-I179 WeakPolarHBondContact O-CB 3.44Å; I89-I179 WeakPolarHBondContact O-CG2 3.3Å
90D98.1Very high97.1Very high43 Ų4351.4 Ų51.423%0.2328%0.278CS..EExtended strand (participates in β ladder)trans-152.8-173.1-178.963.3-14.1000111.3Q82 Q84 G177Q82-D90 PolarHBondContact N-O 3.41Å; Q82-D90 PolarHBondContact O-N 3.15Å; Q84-D90 PolarHBondContact NE2-OD1 3.4Å; Q84-D90 PolarHBondContact NE2-OD2 2.86Å; D90-G177 CarbonylContact C-O 3.57Å
91G98.2Very high97.1Very high11 Ų1152.7 Ų52.711%0.11329%0.285CS..EExtended strand (participates in β ladder)trans-116.8126.2177.400000110.3Y79 H80 G177Y79-G91 WeakPolarHBondContact CD1-O 3.43Å; H80-G91 CarbonylContact O-C 3.56Å; H80-G91 WeakPolarHBondContact O-CA 3.18Å; G91-G177 VanDerWaalsContact CA-O 3.29Å; G91-G177 WeakPolarHBondContact CA-O 3.32Å; G91-G177 PolarHBondContact N-O 3.39Å
92T98.1Very high97.1Very high26 Ų2652.7 Ų52.716%0.1629%0.285CS..EExtended strand (participates in β ladder)trans-111.1155.3176.3-171.10000111.9Y79 H80 Q82 D94 T100Y79-T92 CarbonylContact C-O 3.53Å; Y79-T92 WeakPolarHBondContact CA-O 3.32Å; H80-T92 HydrophobicContact CB-CG2 4.17Å; H80-T92 PolarHBondContact N-O 2.72Å; H80-T92 PolarHBondContact O-N 3.22Å; Q82-T92 HydrophobicContact CB-CG2 4.07Å; T92-D94 HydrophobicContact CG2-CB 4.39Å; T92-D94 WeakPolarHBondContact CG2-O 3.42Å; T92-D94 WeakPolarHBondContact OG1-CB 3.37Å; T92-D94 PolarHBondContact OG1-N 2.89Å; T92-T100 HydrophobicContact CG2-CG2 3.52Å
93K97.4Very high97.1Very high148 Ų14852.2 Ų52.264%0.64328%0.283SS*.SBendtrans-93.2-8.2166.8-66-179.3-179.7172.70112.4Y79 E95Y79-K93 HydrophobicContact CD1-CG 3.85Å; Y79-K93 HydrophobicContact CE1-CD 4.27Å; Y79-K93 HydrophobicContact CE1-CG 3.85Å; K93-E95 PolarHBondContact O-N 3.47Å
94D96.6Very high97.1Very high82 Ų8252.7 Ų52.744%0.43929%0.286SS..  trans-73.2105176.3-179.39000110T92 D96 S97T92-D94 HydrophobicContact CG2-CB 4.39Å; T92-D94 WeakPolarHBondContact CG2-O 3.42Å; T92-D94 WeakPolarHBondContact OG1-CB 3.37Å; T92-D94 PolarHBondContact OG1-N 2.89Å; D94-D96 VanDerWaalsContact C-N 3.28Å; D94-D96 PolarHBondContact O-N 3.46Å; D94-D96 PolarHBondContact OD1-N 2.77Å; D94-S97 PolarHBondContact OD1-N 3.47Å; D94-S97 WeakPolarHBondContact OD2-CB 3.32Å; D94-S97 PolarHBondContact OD2-N 3.01Å
95E91.3Very high97.1Very high105 Ų10550 Ų5049%0.49127%0.273SS..SBendtrans-71.2-23.6178.2-61.8-159.7150.200112.1K72 H80 K93 K197K72-E95 PolarHBondContact NZ-O 3.16Å; H80-E95 IonicContact NE2-OE1 3.65Å; K93-E95 PolarHBondContact O-N 3.47Å; E95-K197 IonicContact OE1-NZ 2.87Å
96D94.3Very high97.1Very high144 Ų14448.7 Ų48.777%0.7726%0.259SS*.SBendtrans-91.6-7.9-175.1-67.6-38.1000113.1D94 T98D94-D96 VanDerWaalsContact C-N 3.28Å; D94-D96 PolarHBondContact O-N 3.46Å; D94-D96 PolarHBondContact OD1-N 2.77Å; D96-T98 PolarHBondContact O-N 2.88Å; D96-T98 VanDerWaalsContact O-N 3.16Å
97S95.8Very high97Very high13 Ų1344.9 Ų44.99%0.09124%0.239CC..  trans-55.6120.4175.31730000111.8D94 Y99 T100D94-S97 PolarHBondContact OD1-N 3.47Å; D94-S97 WeakPolarHBondContact OD2-CB 3.32Å; D94-S97 PolarHBondContact OD2-N 3.01Å; S97-Y99 PolarHBondContact O-N 2.92Å; S97-Y99 PolarHBondContact OG-N 3Å; S97-T100 PolarHBondContact O-N 2.78Å; S97-T100 VanDerWaalsContact O-N 3.15Å; S97-T100 PolarHBondContact O-OG1 3.29Å
98T97Very high97Very high70 Ų7046.1 Ų46.143%0.42925%0.252SS..G310 helixtrans-66.1-20.3179.165.40000113D96 T100 L101 Q118D96-T98 PolarHBondContact O-N 2.88Å; D96-T98 VanDerWaalsContact O-N 3.16Å; T98-T100 PolarHBondContact O-N 2.82Å; T98-L101 PolarHBondContact O-N 2.72Å; T98-Q118 WeakPolarHBondContact O-CG 3.37Å
99Y98.1Very high96.8Very high85 Ų8551 Ų5133%0.33328%0.275SS..G310 helixtrans-76.3-6.9177.2-63.8-70.4000113.6L83 A85 S97 L101 Q118 T119L83-Y99 PolarHBondContact N-O 3.08Å; L83-Y99 VanDerWaalsContact N-O 3.08Å; L83-Y99 WeakPolarHBondContact O-CB 3.38Å; L83-Y99 VanDerWaalsContact O-CD1 3.23Å; L83-Y99 WeakPolarHBondContact O-CD1 3.49Å; A85-Y99 HydrophobicContact CB-CE1 3.9Å; S97-Y99 PolarHBondContact O-N 2.92Å; S97-Y99 PolarHBondContact OG-N 3Å; Y99-L101 VanDerWaalsContact C-N 3.3Å; Y99-Q118 HydrophobicContact CD1-CB 3.95Å; Y99-Q118 HydrophobicContact CD1-CG 4.28Å; Y99-Q118 HydrophobicContact CE1-CB 3.99Å; Y99-Q118 HydrophobicContact CE1-CG 4.48Å; Y99-T119 HydrophobicContact CD1-CG2 4.35Å; Y99-T119 HydrophobicContact CE1-CG2 4.34Å
100T98.1Very high96.7Very high0 Ų058 Ų580%030%0.301CS..G310 helixtrans-84.6-4.4174.566.40000113.5K72 H80 L81 Q82 T92 S97 T98 F102K72-T100 WeakPolarHBondContact CE-OG1 3.43Å; H80-T100 HydrophobicContact CB-CG2 3.87Å; L81-T100 WeakPolarHBondContact O-CA 3.28Å; Q82-T100 HydrophobicContact CB-CG2 4.32Å; T92-T100 HydrophobicContact CG2-CG2 3.52Å; S97-T100 PolarHBondContact O-N 2.78Å; S97-T100 VanDerWaalsContact O-N 3.15Å; S97-T100 PolarHBondContact O-OG1 3.29Å; T98-T100 PolarHBondContact O-N 2.82Å; T100-F102 VanDerWaalsContact O-CD2 3.32Å; T100-F102 WeakPolarHBondContact O-CD2 3.34Å
101L98.1Very high96.7Very high31 Ų3156.7 Ų56.716%0.16229%0.294CS..  trans-87.3125.2-179.8-65.5173.9000110.8V70 K72 T98 Y99 V117 L199V70-L101 HydrophobicContact CG1-CD2 4.42Å; K72-L101 HydrophobicContact CG-CD2 3.93Å; T98-L101 PolarHBondContact O-N 2.72Å; Y99-L101 VanDerWaalsContact C-N 3.3Å; L101-V117 HydrophobicContact CB-CB 3.88Å; L101-V117 HydrophobicContact CB-CG2 3.79Å; L101-V117 WeakPolarHBondContact O-CB 3.43Å; L101-V117 WeakPolarHBondContact O-CG2 3.48Å; L101-V117 PolarHBondContact O-N 2.68Å; L101-L199 HydrophobicContact CD2-CD2 4.17Å
102F98.5Very high96.7Very high0 Ų056.4 Ų56.40%029%0.29CS..EExtended strand (participates in β ladder)trans-122.1142.6177.1-64-86.6000112.2V70 T71 L73 L81 L83 T100 I114 Q115 L123V70-F102 CarbonylContact C-O 3.48Å; V70-F102 WeakPolarHBondContact CA-O 3.38Å; T71-F102 PolarHBondContact N-O 2.89Å; T71-F102 PolarHBondContact O-N 3.25Å; L73-F102 HydrophobicContact CD1-CD2 4.49Å; L81-F102 HydrophobicContact CB-CE2 4.03Å; L81-F102 HydrophobicContact CB-CZ 4.39Å; L81-F102 HydrophobicContact CD2-CE2 4.05Å; L81-F102 HydrophobicContact CD2-CZ 3.91Å; L81-F102 HydrophobicContact CG-CE2 4.05Å; L81-F102 HydrophobicContact CG-CZ 3.91Å; L81-F102 WeakPolarHBondContact O-CE2 3.22Å; L83-F102 HydrophobicContact CB-CE1 3.71Å; L83-F102 HydrophobicContact CB-CZ 3.87Å; L83-F102 HydrophobicContact CD2-CE1 4.22Å; T100-F102 VanDerWaalsContact O-CD2 3.32Å; T100-F102 WeakPolarHBondContact O-CD2 3.34Å; F102-I114 HydrophobicContact CB-CG2 4.12Å; F102-I114 HydrophobicContact CD1-CG2 3.66Å; F102-I114 HydrophobicContact CE1-CG2 4.35Å; F102-I114 HydrophobicContact CG-CG2 4.02Å; F102-Q115 CarbonylContact C-O 3.59Å; F102-Q115 VanDerWaalsContact CA-O 3.23Å; F102-Q115 WeakPolarHBondContact CA-O 3.34Å; F102-L123 HydrophobicContact CE1-CD1 4.37Å
103N98Very high96.7Very high10 Ų1055.1 Ų55.15%0.05328%0.283CS..EExtended strand (participates in β ladder)trans-82.3116.9160.9-58-39.5000108.1I105 Q115 V117 Y204N103-I105 HydrophobicContact CB-CD1 4.23Å; N103-I105 HydrophobicContact CB-CG1 4.01Å; N103-Q115 HydrophobicContact CB-CB 4.24Å; N103-Q115 PolarHBondContact N-O 2.94Å; N103-Q115 PolarHBondContact ND2-OE1 2.98Å; N103-Q115 PolarHBondContact O-N 3.44Å; N103-V117 WeakPolarHBondContact OD1-CG2 3.23Å; N103-Y204 HydrophobicContact CB-CE1 3.76Å; N103-Y204 WeakPolarHBondContact CB-OH 3.41Å; N103-Y204 PolarHBondContact OD1-OH 3.38Å
104L97.7Very high96.8Very high11 Ų1148.1 Ų48.16%0.05825%0.252CS..EExtended strand (participates in β ladder)trans-95.9101.4169.9-13474000108.2G68 I69 T71 L73 V112 I114 Y155G68-L104 VanDerWaalsContact CA-O 3.27Å; G68-L104 WeakPolarHBondContact CA-O 3.29Å; I69-L104 HydrophobicContact CD1-CB 4.41Å; I69-L104 HydrophobicContact CD1-CD2 4.37Å; I69-L104 HydrophobicContact CG1-CB 3.72Å; I69-L104 PolarHBondContact N-O 3.38Å; I69-L104 VanDerWaalsContact N-O 3.13Å; I69-L104 PolarHBondContact O-N 2.72Å; T71-L104 HydrophobicContact CG2-CB 4.15Å; T71-L104 HydrophobicContact CG2-CD1 4.27Å; T71-L104 HydrophobicContact CG2-CD2 4.43Å; L73-L104 HydrophobicContact CD1-CD1 4.45Å; L104-V112 HydrophobicContact CG-CB 4.33Å; L104-V112 HydrophobicContact CG-CG1 4.39Å; L104-V112 HydrophobicContact CG-CG2 4.45Å; L104-I114 HydrophobicContact CD1-CB 4.43Å; L104-I114 HydrophobicContact CD1-CD1 4.43Å; L104-I114 HydrophobicContact CD1-CG1 3.86Å; L104-I114 HydrophobicContact CD1-CG2 4.21Å; L104-Y155 HydrophobicContact CD2-CE1 4.42Å
105I97.1Very high96.9Very high3 Ų345.2 Ų45.22%0.01524%0.236CC..EExtended strand (participates in β ladder)trans-104.2117.4-171.9-51.9175.1000108.8L66 N103 V107 V112 A113 Y204 P207L66-I105 HydrophobicContact CB-CG2 4.36Å; L66-I105 HydrophobicContact CD1-CG2 3.8Å; N103-I105 HydrophobicContact CB-CD1 4.23Å; N103-I105 HydrophobicContact CB-CG1 4.01Å; I105-V107 HydrophobicContact CG2-CG1 4.35Å; I105-V107 PolarHBondContact O-N 2.86Å; I105-V112 CarbonylContact O-C 3.59Å; I105-V112 VanDerWaalsContact O-CA 3.26Å; I105-V112 WeakPolarHBondContact O-CA 3.43Å; I105-A113 HydrophobicContact CB-CB 4.36Å; I105-A113 PolarHBondContact N-O 2.93Å; I105-A113 PolarHBondContact O-N 2.77Å; I105-Y204 HydrophobicContact CD1-CD1 4.07Å; I105-Y204 HydrophobicContact CD1-CG 4.11Å; I105-Y204 HydrophobicContact CG1-CD1 4.18Å; I105-Y204 HydrophobicContact CG1-CD2 3.94Å; I105-Y204 HydrophobicContact CG1-CE1 4.46Å; I105-Y204 HydrophobicContact CG1-CE2 4.21Å; I105-Y204 HydrophobicContact CG1-CG 3.91Å; I105-Y204 HydrophobicContact CG2-CD2 4.41Å; I105-Y204 HydrophobicContact CG2-CG 4.39Å; I105-P207 HydrophobicContact CD1-CG 4.42Å; I105-P207 HydrophobicContact CG2-CG 4.45Å
106P97Very high97.2Very high44 Ų4440.3 Ų40.329%0.28621%0.214SC..EExtended strand (participates in β ladder)trans-75.8109.4179.929.5-33.3000110.7L66 K67L66-P106 HydrophobicContact CB-CG 4.43Å; L66-P106 WeakPolarHBondContact CD1-O 3.06Å; K67-P106 WeakPolarHBondContact O-CG 3.39Å
107V96Very high97.4Very high31 Ų3134.8 Ų34.819%0.18819%0.185CC..EExtended strand (participates in β ladder)trans-1035.7-178.8-61.80000112.7I105 V111 A113 F137 K142I105-V107 HydrophobicContact CG2-CG1 4.35Å; I105-V107 PolarHBondContact O-N 2.86Å; V107-V111 HydrophobicContact CG2-CB 4.21Å; V107-V111 HydrophobicContact CG2-CG1 3.71Å; V107-V111 PolarHBondContact N-O 3.29Å; V107-A113 HydrophobicContact CG1-CB 3.96Å; V107-F137 HydrophobicContact CB-CZ 4.1Å; V107-F137 HydrophobicContact CG1-CE1 4.36Å; V107-F137 HydrophobicContact CG1-CE2 4.34Å; V107-F137 HydrophobicContact CG1-CZ 3.76Å; V107-F137 HydrophobicContact CG2-CZ 4.11Å; V107-K142 HydrophobicContact CG2-CG 4.26Å
108G94.9Very high97.4Very high39 Ų3938.8 Ų38.840%0.40220%0.202SC..EExtended strand (participates in β ladder)trans176.8179.7177.400000112.1R110 V111G108-R110 PolarHBondContact O-N 3.15Å; G108-V111 PolarHBondContact N-O 3.02Å; G108-V111 PolarHBondContact O-N 2.94Å; G108-V111 VanDerWaalsContact O-N 3.17Å
109L95.3Very high97.4Very high164 Ų16437 Ų3786%0.85919%0.191SC*.THydrogen-bonded Turntrans-65.1108.4176.4179.464.8000109.9V111L109-V111 PolarHBondContact O-N 3.42Å
110R96Very high97.4Very high157 Ų15738.4 Ų38.459%0.59220%0.199SC*.THydrogen-bonded Turntrans59.430.2-175.1-53.7-60.7-169175.12.3113G108 K144 E145G108-R110 PolarHBondContact O-N 3.15Å; R110-K144 WeakPolarHBondContact O-CA 3.39Å; R110-E145 HydrophobicContact CB-CG 4.05Å; R110-E145 WeakPolarHBondContact CD-OE1 3.34Å; R110-E145 IonicContact NH1-OE1 3.48Å; R110-E145 PolarHBondContact NH1-OE1 3.01Å; R110-E145 WeakPolarHBondContact O-CG 3.39Å; R110-E145 PolarHBondContact O-N 2.78Å
111V98Very high97.4Very high16 Ų1639.6 Ų39.610%0.09721%0.205CC..EExtended strand (participates in β ladder)trans-124.4127.2175-1710000108.4V107 G108 L109 K142 F143 M158V107-V111 HydrophobicContact CG2-CB 4.21Å; V107-V111 HydrophobicContact CG2-CG1 3.71Å; V107-V111 PolarHBondContact N-O 3.29Å; G108-V111 PolarHBondContact N-O 3.02Å; G108-V111 PolarHBondContact O-N 2.94Å; G108-V111 VanDerWaalsContact O-N 3.17Å; L109-V111 PolarHBondContact O-N 3.42Å; V111-K142 HydrophobicContact CG1-CB 3.9Å; V111-K142 HydrophobicContact CG1-CG 4.48Å; V111-F143 CarbonylContact C-O 3.54Å; V111-F143 VanDerWaalsContact CA-O 3.32Å; V111-F143 WeakPolarHBondContact CA-O 3.48Å; V111-M158 HydrophobicContact CG1-CG 3.76Å; V111-M158 HydrophobicContact CG1-SD 4.11Å; V111-M158 HydrophobicContact CG2-CE 3.93Å; V111-M158 HydrophobicContact CG2-CG 4.41Å; V111-M158 HydrophobicContact CG2-SD 3.63Å
112V98.2Very high97.4Very high5 Ų539.3 Ų39.33%0.0320%0.202CC..EExtended strand (participates in β ladder)trans-123.2148.1-178.4-62.20000110.7L104 I105 I114 F143 E145 Y155L104-V112 HydrophobicContact CG-CB 4.33Å; L104-V112 HydrophobicContact CG-CG1 4.39Å; L104-V112 HydrophobicContact CG-CG2 4.45Å; I105-V112 CarbonylContact O-C 3.59Å; I105-V112 VanDerWaalsContact O-CA 3.26Å; I105-V112 WeakPolarHBondContact O-CA 3.43Å; V112-I114 HydrophobicContact CG2-CG1 4.2Å; V112-F143 HydrophobicContact CG2-CB 4.32Å; V112-F143 PolarHBondContact N-O 3.37Å; V112-F143 PolarHBondContact O-N 2.9Å; V112-E145 HydrophobicContact CG1-CG 4.23Å; V112-Y155 HydrophobicContact CG2-CD1 3.84Å; V112-Y155 HydrophobicContact CG2-CE1 3.8Å
113A98.2Very high97.4Very high0 Ų039.3 Ų39.30%020%0.202CC..EExtended strand (participates in β ladder)trans-95.5139.1157.200000108I105 V107 Y122 F137I105-A113 HydrophobicContact CB-CB 4.36Å; I105-A113 PolarHBondContact N-O 2.93Å; I105-A113 PolarHBondContact O-N 2.77Å; V107-A113 HydrophobicContact CG1-CB 3.96Å; A113-Y122 HydrophobicContact CB-CD1 4.15Å; A113-Y122 HydrophobicContact CB-CE1 4.18Å; A113-F137 HydrophobicContact CB-CD2 4.12Å; A113-F137 HydrophobicContact CB-CE2 3.55Å; A113-F137 HydrophobicContact CB-CZ 4.34Å
114I98.5Very high97.4Very high0 Ų038.8 Ų38.80%020%0.2CC..EExtended strand (participates in β ladder)trans-112.8116.1178.5-50.6179.1000106.9L73 F102 L104 V112 Y122 L123 F143 Y155 L171L73-I114 HydrophobicContact CD1-CD1 4.47Å; L73-I114 HydrophobicContact CD1-CG2 4.25Å; F102-I114 HydrophobicContact CB-CG2 4.12Å; F102-I114 HydrophobicContact CD1-CG2 3.66Å; F102-I114 HydrophobicContact CE1-CG2 4.35Å; F102-I114 HydrophobicContact CG-CG2 4.02Å; L104-I114 HydrophobicContact CD1-CB 4.43Å; L104-I114 HydrophobicContact CD1-CD1 4.43Å; L104-I114 HydrophobicContact CD1-CG1 3.86Å; L104-I114 HydrophobicContact CD1-CG2 4.21Å; V112-I114 HydrophobicContact CG2-CG1 4.2Å; I114-Y122 CarbonylContact O-C 3.44Å; I114-Y122 WeakPolarHBondContact O-CA 3.25Å; I114-L123 HydrophobicContact CB-CB 4.34Å; I114-L123 HydrophobicContact CB-CD1 4.13Å; I114-L123 HydrophobicContact CB-CG 4.33Å; I114-L123 HydrophobicContact CG2-CD1 3.73Å; I114-L123 HydrophobicContact CG2-CG 4.19Å; I114-L123 PolarHBondContact O-N 2.97Å; I114-F143 HydrophobicContact CD1-CD2 4.11Å; I114-F143 HydrophobicContact CD1-CG 4.37Å; I114-F143 HydrophobicContact CG1-CD2 4.19Å; I114-Y155 HydrophobicContact CD1-CD1 4.1Å; I114-Y155 HydrophobicContact CD1-CD2 4.38Å; I114-Y155 HydrophobicContact CD1-CE1 4.47Å; I114-Y155 HydrophobicContact CD1-CG 4.06Å; I114-L171 HydrophobicContact CD1-CD2 4.22Å
115Q98.3Very high97.4Very high21 Ų2138.3 Ų38.310%0.09820%0.197CC..EExtended strand (participates in β ladder)trans-125.3133-176.3-173.3-168.542.400110.7F102 N103 V117 K120 L121 Y122F102-Q115 CarbonylContact C-O 3.59Å; F102-Q115 VanDerWaalsContact CA-O 3.23Å; F102-Q115 WeakPolarHBondContact CA-O 3.34Å; N103-Q115 HydrophobicContact CB-CB 4.24Å; N103-Q115 PolarHBondContact N-O 2.94Å; N103-Q115 PolarHBondContact ND2-OE1 2.98Å; N103-Q115 PolarHBondContact O-N 3.44Å; Q115-V117 PolarHBondContact O-N 3.3Å; Q115-K120 WeakPolarHBondContact CG-O 3.37Å; Q115-K120 PolarHBondContact NE2-O 3.41Å; Q115-L121 CarbonylContact C-O 3.54Å; Q115-L121 VanDerWaalsContact CA-O 3.29Å; Q115-L121 WeakPolarHBondContact CA-O 2.73Å; Q115-L121 WeakPolarHBondContact CG-O 3.19Å; Q115-Y122 HydrophobicContact CB-CD1 3.76Å; Q115-Y122 HydrophobicContact CB-CE1 3.79Å; Q115-Y122 HydrophobicContact CG-CD1 4.07Å; Q115-Y122 HydrophobicContact CG-CE1 3.98Å; Q115-Y122 HydrophobicContact CG-CG 4.47Å; Q115-Y122 PolarHBondContact NE2-OH 3.05Å
116G98.2Very high97.5Very high2 Ų240 Ų402%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-63.6130.3172.300000111.2Q118 K120 L121G116-Q118 VanDerWaalsContact C-N 3.35Å; G116-Q118 PolarHBondContact O-N 2.7Å; G116-K120 VanDerWaalsContact O-CA 3.27Å; G116-K120 WeakPolarHBondContact O-CA 3.27Å; G116-K120 PolarHBondContact O-N 3.32Å; G116-L121 PolarHBondContact N-O 2.9Å
117V97.6Very high97.5Very high28 Ų2841.3 Ų41.317%0.1722%0.216CC..THydrogen-bonded Turntrans-65.9-40.9-179.1171.90000111.2V70 L101 N103 Q115 K120V70-V117 HydrophobicContact CG1-CG2 4.13Å; L101-V117 HydrophobicContact CB-CB 3.88Å; L101-V117 HydrophobicContact CB-CG2 3.79Å; L101-V117 WeakPolarHBondContact O-CB 3.43Å; L101-V117 WeakPolarHBondContact O-CG2 3.48Å; L101-V117 PolarHBondContact O-N 2.68Å; N103-V117 WeakPolarHBondContact OD1-CG2 3.23Å; Q115-V117 PolarHBondContact O-N 3.3Å; V117-K120 WeakPolarHBondContact O-CD 3.19Å; V117-K120 VanDerWaalsContact O-CE 3.28Å; V117-K120 WeakPolarHBondContact O-CE 3.08Å; V117-K120 PolarHBondContact O-NZ 2.78Å
118Q97.1Very high97.5Very high98 Ų9845.1 Ų45.146%0.45823%0.232SC..THydrogen-bonded Turntrans-76.3-50.1-178.3-63.9-59.5-18.400111.8T98 Y99 G116T98-Q118 WeakPolarHBondContact O-CG 3.37Å; Y99-Q118 HydrophobicContact CD1-CB 3.95Å; Y99-Q118 HydrophobicContact CD1-CG 4.28Å; Y99-Q118 HydrophobicContact CE1-CB 3.99Å; Y99-Q118 HydrophobicContact CE1-CG 4.48Å; G116-Q118 VanDerWaalsContact C-N 3.35Å; G116-Q118 PolarHBondContact O-N 2.7Å
119T96.9Very high97.6Very high32 Ų3243.3 Ų43.320%0.19621%0.213CC..THydrogen-bonded Turntrans-83.7-19.7-173.158.90000114.1Q84 Y99 L121Q84-T119 WeakPolarHBondContact O-CG2 3.47Å; Y99-T119 HydrophobicContact CD1-CG2 4.35Å; Y99-T119 HydrophobicContact CE1-CG2 4.34Å; T119-L121 PolarHBondContact O-N 2.85Å; T119-L121 PolarHBondContact OG1-N 3.41Å
120K97.3Very high97.8Very high114 Ų11441 Ų4150%0.49619%0.194SC..  trans59.66.5-170.3-51.7-54.6-175.9-163.50114.9Q115 G116 V117Q115-K120 WeakPolarHBondContact CG-O 3.37Å; Q115-K120 PolarHBondContact NE2-O 3.41Å; G116-K120 VanDerWaalsContact O-CA 3.27Å; G116-K120 WeakPolarHBondContact O-CA 3.27Å; G116-K120 PolarHBondContact O-N 3.32Å; V117-K120 WeakPolarHBondContact O-CD 3.19Å; V117-K120 VanDerWaalsContact O-CE 3.28Å; V117-K120 WeakPolarHBondContact O-CE 3.08Å; V117-K120 PolarHBondContact O-NZ 2.78Å
121L98.2Very high97.9Very high25 Ų2534.6 Ų34.613%0.13117%0.171CC..PPolyproline II helixtrans-75.3140.2175.2-62.5173.3000110.3L83 Q115 G116 T119 T133 E135L83-L121 HydrophobicContact CD2-CB 4.13Å; Q115-L121 CarbonylContact C-O 3.54Å; Q115-L121 VanDerWaalsContact CA-O 3.29Å; Q115-L121 WeakPolarHBondContact CA-O 2.73Å; Q115-L121 WeakPolarHBondContact CG-O 3.19Å; G116-L121 PolarHBondContact N-O 2.9Å; T119-L121 PolarHBondContact O-N 2.85Å; T119-L121 PolarHBondContact OG1-N 3.41Å; L121-T133 HydrophobicContact CB-CG2 4.45Å; L121-T133 HydrophobicContact CD1-CG2 4.32Å; L121-E135 HydrophobicContact CD2-CB 4.3Å; L121-E135 HydrophobicContact CD2-CG 3.49Å; L121-E135 VanDerWaalsContact CD2-CG 3.49Å
122Y98.4Very high97.9Very high25 Ų2537.3 Ų37.310%0.09818%0.18CC..EExtended strand (participates in β ladder)trans-85.2140.7170.5-65.1-80.5000110.1A113 I114 Q115 T133 S134 F137A113-Y122 HydrophobicContact CB-CD1 4.15Å; A113-Y122 HydrophobicContact CB-CE1 4.18Å; I114-Y122 CarbonylContact O-C 3.44Å; I114-Y122 WeakPolarHBondContact O-CA 3.25Å; Q115-Y122 HydrophobicContact CB-CD1 3.76Å; Q115-Y122 HydrophobicContact CB-CE1 3.79Å; Q115-Y122 HydrophobicContact CG-CD1 4.07Å; Q115-Y122 HydrophobicContact CG-CE1 3.98Å; Q115-Y122 HydrophobicContact CG-CG 4.47Å; Q115-Y122 PolarHBondContact NE2-OH 3.05Å; Y122-T133 CarbonylContact O-C 3.56Å; Y122-T133 VanDerWaalsContact O-CA 3.31Å; Y122-T133 WeakPolarHBondContact O-CA 3.43Å; Y122-S134 PolarHBondContact N-O 3.35Å; Y122-S134 PolarHBondContact O-N 2.82Å; Y122-F137 HydrophobicContact CD1-CD2 4.22Å; Y122-F137 HydrophobicContact CD2-CB 4.36Å; Y122-F137 HydrophobicContact CE1-CD2 4.22Å; Y122-F137 HydrophobicContact CE2-CB 4Å
123L98.4Very high97.9Very high0 Ų038.9 Ų38.90%019%0.19CC..EExtended strand (participates in β ladder)trans-69.4138.7161-60.6-175.3000108.6L81 L83 I89 F102 I114 C141 F143L81-L123 HydrophobicContact CD2-CD1 3.98Å; L83-L123 HydrophobicContact CD2-CD2 4.1Å; I89-L123 HydrophobicContact CD1-CD2 3.53Å; I89-L123 HydrophobicContact CG1-CD2 3.7Å; I89-L123 HydrophobicContact CG2-CD2 4.25Å; F102-L123 HydrophobicContact CE1-CD1 4.37Å; I114-L123 HydrophobicContact CB-CB 4.34Å; I114-L123 HydrophobicContact CB-CD1 4.13Å; I114-L123 HydrophobicContact CB-CG 4.33Å; I114-L123 HydrophobicContact CG2-CD1 3.73Å; I114-L123 HydrophobicContact CG2-CG 4.19Å; I114-L123 PolarHBondContact O-N 2.97Å; L123-C141 WeakPolarHBondContact O-CA 3.27Å; L123-F143 HydrophobicContact CB-CE2 4.02Å; L123-F143 HydrophobicContact CB-CZ 4.27Å; L123-F143 VanDerWaalsContact O-CE2 3.32Å; L123-F143 WeakPolarHBondContact O-CE2 3.49Å
124A98.3Very high97.8Very high0 Ų039.2 Ų39.20%019%0.193CC..EExtended strand (participates in β ladder)trans-139.5157.9176.100000109.8L131 Y132 E140A124-L131 VanDerWaalsContact O-CA 3.3Å; A124-L131 WeakPolarHBondContact O-CA 3.45Å; A124-Y132 HydrophobicContact CB-CD1 3.99Å; A124-Y132 HydrophobicContact CB-CD2 4.32Å; A124-Y132 HydrophobicContact CB-CE1 3.45Å; A124-Y132 VanDerWaalsContact CB-CE1 3.45Å; A124-Y132 HydrophobicContact CB-CE2 3.81Å; A124-Y132 HydrophobicContact CB-CG 4.4Å; A124-Y132 PolarHBondContact N-O 2.77Å; A124-Y132 PolarHBondContact O-N 2.81Å; A124-E140 WeakPolarHBondContact CA-O 3.36Å; A124-E140 HydrophobicContact CB-CB 4.12Å
125M98.5Very high97.7Very high0 Ų046.9 Ų46.90%023%0.228CC..EExtended strand (participates in β ladder)trans-129.3122175.1-177-176.7-68.600109.2Y130 L131 E140 F143 Y160 W169M125-Y130 WeakPolarHBondContact CA-O 3.14Å; M125-L131 HydrophobicContact CE-CD1 3.77Å; M125-L131 HydrophobicContact CE-CD2 4.41Å; M125-L131 HydrophobicContact CE-CG 3.99Å; M125-E140 PolarHBondContact N-O 2.84Å; M125-E140 WeakPolarHBondContact O-CG 3.4Å; M125-F143 HydrophobicContact CB-CE1 4.37Å; M125-F143 HydrophobicContact CB-CZ 4.49Å; M125-F143 HydrophobicContact CE-CE1 4.41Å; M125-Y160 WeakPolarHBondContact O-CD2 3.38Å; M125-Y160 VanDerWaalsContact O-CE2 3.23Å; M125-Y160 WeakPolarHBondContact O-CE2 3.49Å; M125-W169 HydrophobicContact SD-CB 3.71Å; M125-W169 HydrophobicContact SD-CE3 4.17Å
126N97.4Very high97.7Very high38 Ų3848.9 Ų48.920%0.20324%0.239CC..  trans-80.5174.4-177.574.95.7000112.7E128 G129 Y130 Y132 E140 Y160N126-E128 PolarHBondContact O-N 2.85Å; N126-E128 WeakPolarHBondContact OD1-CB 3.23Å; N126-E128 PolarHBondContact OD1-N 3.17Å; N126-E128 VanDerWaalsContact OD1-N 3.12Å; N126-G129 PolarHBondContact O-N 2.89Å; N126-G129 PolarHBondContact OD1-N 3.48Å; N126-Y130 PolarHBondContact N-O 3.31Å; N126-Y130 PolarHBondContact OD1-N 2.58Å; N126-Y130 PolarHBondContact OD1-O 2.89Å; N126-Y132 HydrophobicContact CB-CD1 4.11Å; N126-Y132 HydrophobicContact CB-CE1 3.86Å; N126-E140 WeakPolarHBondContact CA-OE1 3.47Å; N126-Y160 VanDerWaalsContact C-CD2 3.46Å; N126-Y160 WeakPolarHBondContact O-CD2 3.35Å; N126-Y160 WeakPolarHBondContact O-CE2 3.49Å
127S97Very high97.6Very high72 Ų7249.3 Ų49.350%0.50324%0.241SC..THydrogen-bonded Turntrans-62.6-19.5-179.461.10000114.7Y160 W169S127-Y160 VanDerWaalsContact CA-CZ 3.4Å; S127-W169 WeakPolarHBondContact O-CH2 3.36Å; S127-W169 VanDerWaalsContact O-CZ3 3.25Å; S127-W169 WeakPolarHBondContact O-CZ3 3.4Å
128E97.1Very high97.6Very high112 Ų11248 Ų4852%0.52323%0.232SC..THydrogen-bonded Turntrans-86.6-16.7174.9-60.5-178.8173.100111.9N126 Y130 K181N126-E128 PolarHBondContact O-N 2.85Å; N126-E128 WeakPolarHBondContact OD1-CB 3.23Å; N126-E128 PolarHBondContact OD1-N 3.17Å; N126-E128 VanDerWaalsContact OD1-N 3.12Å; E128-Y130 HydrophobicContact CB-CD2 3.73Å; E128-Y130 HydrophobicContact CB-CE2 3.96Å; E128-Y130 WeakPolarHBondContact OE2-CD2 3.49Å; E128-Y130 VanDerWaalsContact OE2-CE2 3.22Å; E128-Y130 WeakPolarHBondContact OE2-CE2 3.41Å; E128-K181 WeakPolarHBondContact O-CE 3.28Å; E128-K181 PolarHBondContact O-NZ 2.9Å
129G97.2Very high97.6Very high0 Ų044.7 Ų44.70%022%0.22CC..SBendtrans95.97.6179.800000113.6N126 W169 K181 G182N126-G129 PolarHBondContact O-N 2.89Å; N126-G129 PolarHBondContact OD1-N 3.48Å; G129-W169 VanDerWaalsContact CA-CE3 3.46Å; G129-K181 CarbonylContact O-C 3.51Å; G129-K181 WeakPolarHBondContact O-CG 3.32Å; G129-G182 PolarHBondContact O-N 2.89Å
130Y98.3Very high97.6Very high116 Ų11644 Ų4446%0.45522%0.215SC..  trans-74.7137.7170.5-64.2-71.2000110M125 N126 E128 K181M125-Y130 WeakPolarHBondContact CA-O 3.14Å; N126-Y130 PolarHBondContact N-O 3.31Å; N126-Y130 PolarHBondContact OD1-N 2.58Å; N126-Y130 PolarHBondContact OD1-O 2.89Å; E128-Y130 HydrophobicContact CB-CD2 3.73Å; E128-Y130 HydrophobicContact CB-CE2 3.96Å; E128-Y130 WeakPolarHBondContact OE2-CD2 3.49Å; E128-Y130 VanDerWaalsContact OE2-CE2 3.22Å; E128-Y130 WeakPolarHBondContact OE2-CE2 3.41Å; Y130-K181 HydrophobicContact CD1-CD 4.37Å; Y130-K181 HydrophobicContact CD1-CG 4.07Å; Y130-K181 HydrophobicContact CE1-CD 3.85Å; Y130-K181 HydrophobicContact CE1-CG 4.03Å; Y130-K181 PolarHBondContact OH-NZ 2.85Å
131L98.3Very high97.7Very high22 Ų2238.6 Ų38.612%0.11519%0.191CC..EExtended strand (participates in β ladder)trans-85139.9168.7-71.491.8000109.1I89 A124 M125 L171 I179 M180I89-L131 HydrophobicContact CD1-CB 4.21Å; A124-L131 VanDerWaalsContact O-CA 3.3Å; A124-L131 WeakPolarHBondContact O-CA 3.45Å; M125-L131 HydrophobicContact CE-CD1 3.77Å; M125-L131 HydrophobicContact CE-CD2 4.41Å; M125-L131 HydrophobicContact CE-CG 3.99Å; L131-L171 HydrophobicContact CD2-CB 4.18Å; L131-L171 HydrophobicContact CD2-CD1 3.27Å; L131-L171 HydrophobicContact CD2-CG 4.29Å; L131-I179 HydrophobicContact CB-CD1 4.43Å; L131-I179 HydrophobicContact CB-CG1 4.07Å; L131-I179 HydrophobicContact CD1-CD1 4.15Å; L131-I179 HydrophobicContact CD1-CG1 4.08Å; L131-I179 HydrophobicContact CD2-CD1 3.93Å; L131-I179 HydrophobicContact CD2-CG1 4.45Å; L131-I179 HydrophobicContact CG-CD1 4.4Å; L131-I179 HydrophobicContact CG-CG1 4.43Å; L131-M180 VanDerWaalsContact CD1-O 3.28Å; L131-M180 WeakPolarHBondContact CD1-O 3.45Å
132Y98Very high97.7Very high73 Ų7339.9 Ų39.929%0.28620%0.195SC..EExtended strand (participates in β ladder)trans-148.5174.2179.274.1-82.5000109.2A124 N126 E140A124-Y132 HydrophobicContact CB-CD1 3.99Å; A124-Y132 HydrophobicContact CB-CD2 4.32Å; A124-Y132 HydrophobicContact CB-CE1 3.45Å; A124-Y132 VanDerWaalsContact CB-CE1 3.45Å; A124-Y132 HydrophobicContact CB-CE2 3.81Å; A124-Y132 HydrophobicContact CB-CG 4.4Å; A124-Y132 PolarHBondContact N-O 2.77Å; A124-Y132 PolarHBondContact O-N 2.81Å; N126-Y132 HydrophobicContact CB-CD1 4.11Å; N126-Y132 HydrophobicContact CB-CE1 3.86Å; Y132-E140 WeakPolarHBondContact CE1-OE2 3.29Å; Y132-E140 PolarHBondContact OH-OE2 3.01Å
133T98.2Very high97.7Very high38 Ų3838.7 Ų38.723%0.23319%0.191CC..EExtended strand (participates in β ladder)trans-106135.4178.653.60000111.4L83 G87 I89 L121 Y122L83-T133 HydrophobicContact CD1-CG2 3.34Å; L83-T133 HydrophobicContact CD2-CG2 4.33Å; L83-T133 HydrophobicContact CG-CG2 4.49Å; G87-T133 WeakPolarHBondContact O-CG2 3.38Å; I89-T133 HydrophobicContact CD1-CG2 3.95Å; I89-T133 HydrophobicContact CG1-CG2 3.94Å; L121-T133 HydrophobicContact CB-CG2 4.45Å; L121-T133 HydrophobicContact CD1-CG2 4.32Å; Y122-T133 CarbonylContact O-C 3.56Å; Y122-T133 VanDerWaalsContact O-CA 3.31Å; Y122-T133 WeakPolarHBondContact O-CA 3.43Å
134S97.4Very high97.7Very high8 Ų843.2 Ų43.26%0.05621%0.21CC..EExtended strand (participates in β ladder)trans-122133.8177.2-177.70000110.6Y122 L136Y122-S134 PolarHBondContact N-O 3.35Å; Y122-S134 PolarHBondContact O-N 2.82Å; S134-L136 WeakPolarHBondContact CB-O 3.28Å; S134-L136 PolarHBondContact OG-N 3.15Å; S134-L136 PolarHBondContact OG-O 2.85Å
135E96.4Very high97.6Very high160 Ų16045.3 Ų45.375%0.74822%0.22SC*.SBendtrans-69.2-40171.3-68.6-179.4-173.300111.6L121L121-E135 HydrophobicContact CD2-CB 4.3Å; L121-E135 HydrophobicContact CD2-CG 3.49Å; L121-E135 VanDerWaalsContact CD2-CG 3.49Å
136L96.5Very high97.6Very high64 Ų6446.8 Ų46.834%0.33523%0.231SC..SBendtrans-93.4147.3-177.9-62.6-178.6000110.6S134 T138 H210 F215S134-L136 WeakPolarHBondContact CB-O 3.28Å; S134-L136 PolarHBondContact OG-N 3.15Å; S134-L136 PolarHBondContact OG-O 2.85Å; L136-T138 PolarHBondContact O-N 2.83Å; L136-H210 HydrophobicContact CB-CB 4.47Å; L136-H210 HydrophobicContact CD1-CB 4.48Å; L136-F215 HydrophobicContact CB-CE1 4.11Å; L136-F215 HydrophobicContact CB-CZ 3.73Å; L136-F215 HydrophobicContact CD1-CE1 3.75Å; L136-F215 HydrophobicContact CD1-CZ 3.72Å; L136-F215 HydrophobicContact CG-CE1 4.22Å; L136-F215 HydrophobicContact CG-CZ 4.22Å
137F96.8Very high97.5Very high10 Ų1049.5 Ų49.54%0.04425%0.248CC..BIsolated β-bridgetrans-81.4109.8175.9180-114.5000110.7V107 A113 Y122 C141 K142 P207 L209 H210V107-F137 HydrophobicContact CB-CZ 4.1Å; V107-F137 HydrophobicContact CG1-CE1 4.36Å; V107-F137 HydrophobicContact CG1-CE2 4.34Å; V107-F137 HydrophobicContact CG1-CZ 3.76Å; V107-F137 HydrophobicContact CG2-CZ 4.11Å; A113-F137 HydrophobicContact CB-CD2 4.12Å; A113-F137 HydrophobicContact CB-CE2 3.55Å; A113-F137 HydrophobicContact CB-CZ 4.34Å; Y122-F137 HydrophobicContact CD1-CD2 4.22Å; Y122-F137 HydrophobicContact CD2-CB 4.36Å; Y122-F137 HydrophobicContact CE1-CD2 4.22Å; Y122-F137 HydrophobicContact CE2-CB 4Å; F137-C141 HydrophobicContact CD2-CB 3.56Å; F137-C141 HydrophobicContact CE2-CB 3.71Å; F137-K142 HydrophobicContact CE2-CG 4.14Å; F137-K142 HydrophobicContact CZ-CD 4.33Å; F137-K142 HydrophobicContact CZ-CG 3.75Å; F137-P207 HydrophobicContact CB-CB 3.71Å; F137-P207 HydrophobicContact CD1-CB 3.6Å; F137-P207 HydrophobicContact CD2-CB 4.28Å; F137-P207 HydrophobicContact CE1-CB 4.25Å; F137-P207 HydrophobicContact CG-CB 3.6Å; F137-P207 HydrophobicContact CG-CG 4.48Å; F137-L209 HydrophobicContact CD1-CB 4.38Å; F137-L209 HydrophobicContact CD1-CD1 3.95Å; F137-L209 HydrophobicContact CE1-CD1 3.87Å; F137-L209 WeakPolarHBondContact O-CA 3.46Å; F137-H210 PolarHBondContact O-N 3.3Å
138T97Very high97.5Very high0 Ų047.6 Ų47.60%023%0.231CC..  trans-113.3169.7-178.867.40000111.5L136 E140 C141 L212 F215L136-T138 PolarHBondContact O-N 2.83Å; T138-E140 PolarHBondContact O-N 3.47Å; T138-E140 PolarHBondContact OG1-N 3.49Å; T138-C141 PolarHBondContact N-SG 3.2Å; T138-C141 VanDerWaalsContact N-SG 3.42Å; T138-C141 VanDerWaalsContact O-CB 3.32Å; T138-C141 WeakPolarHBondContact O-CB 3.37Å; T138-C141 PolarHBondContact O-N 2.82Å; T138-C141 PolarHBondContact OG1-SG 2.99Å; T138-C141 VanDerWaalsContact OG1-SG 3.33Å; T138-L212 HydrophobicContact CG2-CD2 4.11Å; T138-F215 HydrophobicContact CG2-CE2 3.33Å; T138-F215 HydrophobicContact CG2-CZ 3.35Å
139P97.1Very high97.3Very high30 Ų3048.6 Ų48.620%0.19524%0.236CC..G310 helixtrans-55-28.9170-27.835.8000114.1C141 K142 L209 H210P139-C141 PolarHBondContact O-N 3.01Å; P139-K142 WeakPolarHBondContact O-CB 3.33Å; P139-K142 PolarHBondContact O-N 3.17Å; P139-L209 HydrophobicContact CG-CD1 4.19Å; P139-H210 WeakPolarHBondContact CD-O 3.28Å
140E98Very high97Very high18 Ų1856.3 Ų56.38%0.08428%0.277CS..G310 helixtrans-69.9-20.2176.5-72.4-172.8165.500113.3A124 M125 N126 Y132 T138 K142 I159 Y160 L212A124-E140 WeakPolarHBondContact CA-O 3.36Å; A124-E140 HydrophobicContact CB-CB 4.12Å; M125-E140 PolarHBondContact N-O 2.84Å; M125-E140 WeakPolarHBondContact O-CG 3.4Å; N126-E140 WeakPolarHBondContact CA-OE1 3.47Å; Y132-E140 WeakPolarHBondContact CE1-OE2 3.29Å; Y132-E140 PolarHBondContact OH-OE2 3.01Å; T138-E140 PolarHBondContact O-N 3.47Å; T138-E140 PolarHBondContact OG1-N 3.49Å; E140-K142 PolarHBondContact O-N 2.88Å; E140-I159 HydrophobicContact CG-CD1 3.75Å; E140-Y160 HydrophobicContact CG-CE2 3.9Å; E140-Y160 WeakPolarHBondContact OE1-CE2 3.39Å; E140-Y160 PolarHBondContact OE1-OH 3.37Å; E140-L212 HydrophobicContact CB-CD2 4.41Å; E140-L212 HydrophobicContact CG-CD1 4.12Å; E140-L212 HydrophobicContact CG-CD2 3.88Å
141C98.2Very high96.7Very high0 Ų057.5 Ų57.50%028%0.282CS..G310 helixtrans-80-2.9176.7-57.90000113.4L123 F137 T138 P139L123-C141 WeakPolarHBondContact O-CA 3.27Å; F137-C141 HydrophobicContact CD2-CB 3.56Å; F137-C141 HydrophobicContact CE2-CB 3.71Å; T138-C141 PolarHBondContact N-SG 3.2Å; T138-C141 VanDerWaalsContact N-SG 3.42Å; T138-C141 VanDerWaalsContact O-CB 3.32Å; T138-C141 WeakPolarHBondContact O-CB 3.37Å; T138-C141 PolarHBondContact O-N 2.82Å; T138-C141 PolarHBondContact OG1-SG 2.99Å; T138-C141 VanDerWaalsContact OG1-SG 3.33Å; P139-C141 PolarHBondContact O-N 3.01Å
142K98.2Very high96.7Very high51 Ų5158.5 Ų58.522%0.22228%0.284CS..EExtended strand (participates in β ladder)trans-92.5115.7-176.5-63.4-176.2-179.7177.30110.6V107 V111 F137 P139 E140 M158V107-K142 HydrophobicContact CG2-CG 4.26Å; V111-K142 HydrophobicContact CG1-CB 3.9Å; V111-K142 HydrophobicContact CG1-CG 4.48Å; F137-K142 HydrophobicContact CE2-CG 4.14Å; F137-K142 HydrophobicContact CZ-CD 4.33Å; F137-K142 HydrophobicContact CZ-CG 3.75Å; P139-K142 WeakPolarHBondContact O-CB 3.33Å; P139-K142 PolarHBondContact O-N 3.17Å; E140-K142 PolarHBondContact O-N 2.88Å; K142-M158 HydrophobicContact CB-CB 4.01Å; K142-M158 HydrophobicContact CB-CG 3.79Å; K142-M158 WeakPolarHBondContact O-CB 3.32Å; K142-M158 VanDerWaalsContact O-CG 3.28Å; K142-M158 WeakPolarHBondContact O-CG 3.42Å; K142-M158 PolarHBondContact O-N 3.14Å; K142-M158 VanDerWaalsContact O-N 3.12Å
143F98.6Very high96.7Very high0 Ų056.2 Ų56.20%028%0.278CS..EExtended strand (participates in β ladder)trans-108.3129.8174.6-64.2-88.7000111.1V111 V112 I114 L123 M125 E145 Y155 S156V111-F143 CarbonylContact C-O 3.54Å; V111-F143 VanDerWaalsContact CA-O 3.32Å; V111-F143 WeakPolarHBondContact CA-O 3.48Å; V112-F143 HydrophobicContact CG2-CB 4.32Å; V112-F143 PolarHBondContact N-O 3.37Å; V112-F143 PolarHBondContact O-N 2.9Å; I114-F143 HydrophobicContact CD1-CD2 4.11Å; I114-F143 HydrophobicContact CD1-CG 4.37Å; I114-F143 HydrophobicContact CG1-CD2 4.19Å; L123-F143 HydrophobicContact CB-CE2 4.02Å; L123-F143 HydrophobicContact CB-CZ 4.27Å; L123-F143 VanDerWaalsContact O-CE2 3.32Å; L123-F143 WeakPolarHBondContact O-CE2 3.49Å; M125-F143 HydrophobicContact CB-CE1 4.37Å; M125-F143 HydrophobicContact CB-CZ 4.49Å; M125-F143 HydrophobicContact CE-CE1 4.41Å; F143-E145 PolarHBondContact O-N 3.12Å; F143-Y155 HydrophobicContact CB-CD1 4.46Å; F143-S156 CarbonylContact C-O 3.59Å; F143-S156 VanDerWaalsContact CA-O 3.32Å; F143-S156 WeakPolarHBondContact CA-O 3.36Å
144K98.3Very high96.7Very high96 Ų9654.4 Ų54.442%0.41727%0.267SS..EExtended strand (participates in β ladder)trans-74.6116.6166.4-176.7178178.71780108.7R110 Y155 S156 M158R110-K144 WeakPolarHBondContact O-CA 3.39Å; K144-Y155 WeakPolarHBondContact O-CA 3.48Å; K144-S156 PolarHBondContact N-O 3.26Å; K144-S156 PolarHBondContact O-N 2.99Å; K144-M158 HydrophobicContact CB-CG 4.43Å; K144-M158 HydrophobicContact CB-SD 3.74Å; K144-M158 HydrophobicContact CG-SD 4.47Å
145E97.3Very high96.8Very high43 Ų4354.1 Ų54.120%0.20126%0.264CS..EExtended strand (participates in β ladder)trans-80.6139169.855.3164.1-150.700110.1R110 V112 F143 V153 T154 Y155R110-E145 HydrophobicContact CB-CG 4.05Å; R110-E145 WeakPolarHBondContact CD-OE1 3.34Å; R110-E145 IonicContact NH1-OE1 3.48Å; R110-E145 PolarHBondContact NH1-OE1 3.01Å; R110-E145 WeakPolarHBondContact O-CG 3.39Å; R110-E145 PolarHBondContact O-N 2.78Å; V112-E145 HydrophobicContact CG1-CG 4.23Å; F143-E145 PolarHBondContact O-N 3.12Å; E145-V153 HydrophobicContact CB-CG1 4.27Å; E145-T154 CarbonylContact C-O 3.57Å; E145-T154 WeakPolarHBondContact CA-O 3.32Å; E145-Y155 HydrophobicContact CB-CD1 4.02Å; E145-Y155 HydrophobicContact CB-CE1 3.89Å
146S97.2Very high96.8Very high32 Ų3246.8 Ų46.822%0.22423%0.231CC..EExtended strand (participates in β ladder)trans-149.6134.3176.9-72.80000110.6T154S146-T154 PolarHBondContact N-O 2.97Å; S146-T154 PolarHBondContact O-N 2.75Å; S146-T154 PolarHBondContact O-OG1 2.74Å
147V96.8Very high96.9Very high95 Ų9543.8 Ų43.858%0.57622%0.215SC*.EExtended strand (participates in β ladder)trans-73144.9173.9-64.40000110.9Y152V147-Y152 CarbonylContact C-O 3.5Å; V147-Y152 VanDerWaalsContact CA-O 3.3Å; V147-Y152 WeakPolarHBondContact CA-O 3.39Å
148F95.7Very high96.9Very high32 Ų3246.1 Ų46.114%0.1423%0.227CC..EExtended strand (participates in β ladder)trans-127.6128.1174.3-177-95.4000108.8N150 Y151 Y152 T154 K187 N188 H193F148-N150 PolarHBondContact O-N 2.97Å; F148-Y151 PolarHBondContact O-N 2.79Å; F148-Y151 VanDerWaalsContact O-N 3.14Å; F148-Y152 HydrophobicContact CD1-CD2 4.48Å; F148-Y152 PolarHBondContact N-O 3.25Å; F148-Y152 PolarHBondContact O-N 3.39Å; F148-T154 HydrophobicContact CB-CG2 4.02Å; F148-K187 HydrophobicContact CD2-CD 4.41Å; F148-K187 HydrophobicContact CD2-CG 4.19Å; F148-N188 HydrophobicContact CE2-CB 4.03Å; F148-N188 HydrophobicContact CZ-CB 4Å; F148-H193 AromaticContact CD1-CD2 3.91Å; F148-H193 AromaticContact CD1-CE1 3.45Å; F148-H193 VanDerWaalsContact CD1-CE1 3.45Å; F148-H193 WeakPolarHBondContact CD1-CE1 3.49Å; F148-H193 AromaticContact CD1-NE2 3.2Å; F148-H193 WeakPolarHBondContact CD1-NE2 3.47Å; F148-H193 AromaticContact CE1-CE1 3.35Å; F148-H193 WeakPolarHBondContact CE1-CE1 3.41Å; F148-H193 AromaticContact CE1-NE2 3.38Å; F148-H193 WeakPolarHBondContact CE1-NE2 3.38Å; F148-H193 AromaticContact CG-NE2 3.73Å
149E93.1Very high96.9Very high133 Ų13349.5 Ų49.562%0.62124%0.244SC*.THydrogen-bonded Turntrans49.631.3-176.7-67.8175.2174.800113.9Y151E149-Y151 PolarHBondContact O-N 2.85Å
150N91.2Very high96.9Very high161 Ų16150.3 Ų50.386%0.86124%0.244SC*.THydrogen-bonded Turntrans58.85.2-178.1-66.975.9000116F148F148-N150 PolarHBondContact O-N 2.97Å
151Y92.5Very high96.9Very high142 Ų14254.7 Ų54.756%0.55726%0.259SS*.THydrogen-bonded Turntrans-122-45.4-174-173.4-99.2000112.6F148 E149F148-Y151 PolarHBondContact O-N 2.79Å; F148-Y151 VanDerWaalsContact O-N 3.14Å; E149-Y151 PolarHBondContact O-N 2.85Å
152Y97.6Very high96.8Very high43 Ų4358 Ų5817%0.16928%0.275CS..EExtended strand (participates in β ladder)trans-94.9152.5-177.9-61.5-73.8000111.8R76 V147 F148 H193R76-Y152 HydrophobicContact CB-CD1 4.48Å; R76-Y152 HydrophobicContact CB-CE1 3.95Å; R76-Y152 VanDerWaalsContact CD-CZ 3.48Å; R76-Y152 HydrophobicContact CG-CE1 3.91Å; V147-Y152 CarbonylContact C-O 3.5Å; V147-Y152 VanDerWaalsContact CA-O 3.3Å; V147-Y152 WeakPolarHBondContact CA-O 3.39Å; F148-Y152 HydrophobicContact CD1-CD2 4.48Å; F148-Y152 PolarHBondContact N-O 3.25Å; F148-Y152 PolarHBondContact O-N 3.39Å; Y152-H193 HydrophobicContact CD1-CB 3.69Å; Y152-H193 HydrophobicContact CD2-CB 4.3Å; Y152-H193 AromaticContact CD2-ND1 3.94Å; Y152-H193 HydrophobicContact CE1-CB 4.32Å; Y152-H193 HydrophobicContact CG-CB 3.67Å; Y152-H193 AromaticContact CG-CG 3.93Å
153V98.2Very high96.5Very high25 Ų2563.9 Ų63.915%0.15230%0.303CS..EExtended strand (participates in β ladder)trans-107.8136.4169.6-175.30000108.9E145 Y155 F194 P196E145-V153 HydrophobicContact CB-CG1 4.27Å; V153-Y155 HydrophobicContact CG1-CE1 3.88Å; V153-Y155 HydrophobicContact CG1-CE2 4.04Å; V153-F194 PolarHBondContact N-O 3.41Å; V153-F194 PolarHBondContact O-N 2.92Å; V153-P196 HydrophobicContact CB-CG 4.25Å; V153-P196 HydrophobicContact CG2-CG 3.91Å
154T98.4Very high96.2Very high0 Ų073.1 Ų73.10%035%0.346CS..EExtended strand (participates in β ladder)trans-116142175.160.80000108.6E145 S146 F148 K187 A192E145-T154 CarbonylContact C-O 3.57Å; E145-T154 WeakPolarHBondContact CA-O 3.32Å; S146-T154 PolarHBondContact N-O 2.97Å; S146-T154 PolarHBondContact O-N 2.75Å; S146-T154 PolarHBondContact O-OG1 2.74Å; F148-T154 HydrophobicContact CB-CG2 4.02Å; T154-K187 HydrophobicContact CG2-CG 4.19Å; T154-A192 HydrophobicContact CG2-CB 4.31Å; T154-A192 WeakPolarHBondContact CG2-O 3.25Å
155Y98.7Very high96Very high1 Ų172.8 Ų72.80%0.00436%0.356CS..EExtended strand (participates in β ladder)trans-118.7116.7177.5-59.6-76.8000108.9L73 L104 V112 I114 F143 K144 E145 V153 Y170 L171 F194L73-Y155 HydrophobicContact CD1-CE2 4.25Å; L73-Y155 HydrophobicContact CD2-CE2 4.04Å; L104-Y155 HydrophobicContact CD2-CE1 4.42Å; V112-Y155 HydrophobicContact CG2-CD1 3.84Å; V112-Y155 HydrophobicContact CG2-CE1 3.8Å; I114-Y155 HydrophobicContact CD1-CD1 4.1Å; I114-Y155 HydrophobicContact CD1-CD2 4.38Å; I114-Y155 HydrophobicContact CD1-CE1 4.47Å; I114-Y155 HydrophobicContact CD1-CG 4.06Å; F143-Y155 HydrophobicContact CB-CD1 4.46Å; K144-Y155 WeakPolarHBondContact O-CA 3.48Å; E145-Y155 HydrophobicContact CB-CD1 4.02Å; E145-Y155 HydrophobicContact CB-CE1 3.89Å; V153-Y155 HydrophobicContact CG1-CE1 3.88Å; V153-Y155 HydrophobicContact CG1-CE2 4.04Å; Y155-Y170 CarbonylContact O-C 3.53Å; Y155-Y170 WeakPolarHBondContact O-CA 2.96Å; Y155-L171 HydrophobicContact CD2-CD2 4.1Å; Y155-L171 PolarHBondContact O-N 2.92Å; Y155-F194 HydrophobicContact CD2-CD2 4.19Å; Y155-F194 HydrophobicContact CE2-CB 4.18Å; Y155-F194 HydrophobicContact CE2-CG 4.47Å
156S98.4Very high95.9Very high6 Ų673.1 Ų73.14%0.04237%0.371CS..EExtended strand (participates in β ladder)trans-115.814917960.20000112.7F143 K144 M158 W169F143-S156 CarbonylContact C-O 3.59Å; F143-S156 VanDerWaalsContact CA-O 3.32Å; F143-S156 WeakPolarHBondContact CA-O 3.36Å; K144-S156 PolarHBondContact N-O 3.26Å; K144-S156 PolarHBondContact O-N 2.99Å; S156-M158 PolarHBondContact O-N 3.48Å; S156-W169 CarbonylContact C-O 3.59Å; S156-W169 WeakPolarHBondContact CA-O 3.27Å; S156-W169 WeakPolarHBondContact CB-O 3.29Å
157S98.2Very high95.9Very high1 Ų175 Ų751%0.00737%0.373CS..EExtended strand (participates in β ladder)trans-53.4134.5171.7178.80000110.8I159 Y160 W169S157-I159 VanDerWaalsContact C-N 3.31Å; S157-I159 PolarHBondContact OG-N 2.89Å; S157-Y160 PolarHBondContact OG-N 3.22Å; S157-W169 PolarHBondContact N-O 3.02Å
158M97.2Very high95.9Very high60 Ų6071 Ų7130%0.29635%0.351SS..EExtended strand (participates in β ladder)trans-69.7-31.3174.7-85.7-68.1-65.300112.4V111 K142 K144 S156 R161V111-M158 HydrophobicContact CG1-CG 3.76Å; V111-M158 HydrophobicContact CG1-SD 4.11Å; V111-M158 HydrophobicContact CG2-CE 3.93Å; V111-M158 HydrophobicContact CG2-CG 4.41Å; V111-M158 HydrophobicContact CG2-SD 3.63Å; K142-M158 HydrophobicContact CB-CB 4.01Å; K142-M158 HydrophobicContact CB-CG 3.79Å; K142-M158 WeakPolarHBondContact O-CB 3.32Å; K142-M158 VanDerWaalsContact O-CG 3.28Å; K142-M158 WeakPolarHBondContact O-CG 3.42Å; K142-M158 PolarHBondContact O-N 3.14Å; K142-M158 VanDerWaalsContact O-N 3.12Å; K144-M158 HydrophobicContact CB-CG 4.43Å; K144-M158 HydrophobicContact CB-SD 3.74Å; K144-M158 HydrophobicContact CG-SD 4.47Å; S156-M158 PolarHBondContact O-N 3.48Å; M158-R161 PolarHBondContact O-NH2 2.87Å
159I96.3Very high96Very high70 Ų7070.6 Ų70.636%0.35935%0.348SS..EExtended strand (participates in β ladder)trans-106.9-35-170.261177.5000113.1E140 S157E140-I159 HydrophobicContact CG-CD1 3.75Å; S157-I159 VanDerWaalsContact C-N 3.31Å; S157-I159 PolarHBondContact OG-N 2.89Å
160Y97.7Very high96.3Very high47 Ų4765.6 Ų65.618%0.18432%0.324CS..EExtended strand (participates in β ladder)trans-100134-174.2-56.3-52.4000113.2M125 N126 S127 E140 S157 W169M125-Y160 WeakPolarHBondContact O-CD2 3.38Å; M125-Y160 VanDerWaalsContact O-CE2 3.23Å; M125-Y160 WeakPolarHBondContact O-CE2 3.49Å; N126-Y160 VanDerWaalsContact C-CD2 3.46Å; N126-Y160 WeakPolarHBondContact O-CD2 3.35Å; N126-Y160 WeakPolarHBondContact O-CE2 3.49Å; S127-Y160 VanDerWaalsContact CA-CZ 3.4Å; E140-Y160 HydrophobicContact CG-CE2 3.9Å; E140-Y160 WeakPolarHBondContact OE1-CE2 3.39Å; E140-Y160 PolarHBondContact OE1-OH 3.37Å; S157-Y160 PolarHBondContact OG-N 3.22Å; Y160-W169 VanDerWaalsContact CB-CE3 3.49Å; Y160-W169 HydrophobicContact CG-CE3 4.39Å; Y160-W169 HydrophobicContact CG-CZ3 4.25Å
161R97.1Very high96.6Very high110 Ų11057.9 Ų57.942%0.41528%0.283SS..EExtended strand (participates in β ladder)trans-151.6160.7-176.4-31.6-179.2-167.5-66.3-7.2108.9M158 Q163 R167M158-R161 PolarHBondContact O-NH2 2.87Å; R161-Q163 PolarHBondContact O-N 3.05Å; R161-R167 WeakPolarHBondContact CA-O 3.45Å
162Q96Very high96.9Very high70 Ų7051.1 Ų51.133%0.32726%0.256SS..  trans-64.8121.7167.1-166.471.252.100109.9Q164 G166 R167Q162-Q164 PolarHBondContact O-N 3.21Å; Q162-G166 VanDerWaalsContact O-CA 3.31Å; Q162-G166 WeakPolarHBondContact O-CA 3.49Å; Q162-G166 PolarHBondContact O-N 3.13Å; Q162-R167 HydrophobicContact CB-CB 4.09Å; Q162-R167 PolarHBondContact N-O 3.04Å
163Q92.2Very high97Very high175 Ų17549.1 Ų49.182%0.81825%0.248SC*.THydrogen-bonded Turntrans-60.5-44.6-173.7-63.5-61.2-22.400113.5R161R161-Q163 PolarHBondContact O-N 3.05Å
164Q93.1Very high97Very high194 Ų19449.3 Ų49.391%0.90725%0.249SC*.THydrogen-bonded Turntrans-77.2-46.4-177.1-67.2176.9-13.700113.1Q162Q162-Q164 PolarHBondContact O-N 3.21Å
165S93.9Very high97Very high88 Ų8856.9 Ų56.962%0.61528%0.282SS*.THydrogen-bonded Turntrans-88.8-16.8-172.8166.50000113.6R167S165-R167 PolarHBondContact O-N 2.79Å
166G95Very high96.9Very high50 Ų5062.4 Ų62.452%0.51531%0.308SS..  trans69.93-170.600000114.5Q162 G168Q162-G166 VanDerWaalsContact O-CA 3.31Å; Q162-G166 WeakPolarHBondContact O-CA 3.49Å; Q162-G166 PolarHBondContact O-N 3.13Å; G166-G168 PolarHBondContact O-N 3.39Å
167R96.3Very high96.9Very high72 Ų7262.3 Ų62.327%0.27231%0.307SS..PPolyproline II helixtrans-61.9125.7-179.8-177.3179.862.984.8-2.7110.9R161 Q162 S165 N183 V185R161-R167 WeakPolarHBondContact CA-O 3.45Å; Q162-R167 HydrophobicContact CB-CB 4.09Å; Q162-R167 PolarHBondContact N-O 3.04Å; S165-R167 PolarHBondContact O-N 2.79Å; R167-N183 VanDerWaalsContact CZ-O 3.3Å; R167-N183 PolarHBondContact NH1-O 3.48Å; R167-N183 PolarHBondContact NH2-O 3.34Å; R167-V185 PolarHBondContact NH1-O 2.95Å
168G97.3Very high96.9Very high10 Ų1067.9 Ų67.910%0.10333%0.333CS..EExtended strand (participates in β ladder)trans-64.8155.117700000113G166 Y170G166-G168 PolarHBondContact O-N 3.39Å; G168-Y170 VanDerWaalsContact O-CD2 3.25Å; G168-Y170 WeakPolarHBondContact O-CD2 3.24Å; G168-Y170 WeakPolarHBondContact O-CE2 3.49Å
169W98.4Very high96.9Very high25 Ų2567.8 Ų67.810%0.09533%0.333CS..EExtended strand (participates in β ladder)trans-99.8136.2169.8-65.50.7000109.2M125 S127 G129 S156 S157 Y160 G182 N183M125-W169 HydrophobicContact SD-CB 3.71Å; M125-W169 HydrophobicContact SD-CE3 4.17Å; S127-W169 WeakPolarHBondContact O-CH2 3.36Å; S127-W169 VanDerWaalsContact O-CZ3 3.25Å; S127-W169 WeakPolarHBondContact O-CZ3 3.4Å; G129-W169 VanDerWaalsContact CA-CE3 3.46Å; S156-W169 CarbonylContact C-O 3.59Å; S156-W169 WeakPolarHBondContact CA-O 3.27Å; S156-W169 WeakPolarHBondContact CB-O 3.29Å; S157-W169 PolarHBondContact N-O 3.02Å; Y160-W169 VanDerWaalsContact CB-CE3 3.49Å; Y160-W169 HydrophobicContact CG-CE3 4.39Å; Y160-W169 HydrophobicContact CG-CZ3 4.25Å; W169-G182 CarbonylContact C-O 3.54Å; W169-G182 VanDerWaalsContact CA-O 3.24Å; W169-G182 WeakPolarHBondContact CA-O 3.26Å; W169-G182 WeakPolarHBondContact CB-O 3.5Å; W169-N183 HydrophobicContact CD2-CB 3.9Å; W169-N183 HydrophobicContact CG-CB 4.12Å; W169-N183 HydrophobicContact CZ2-CB 3.91Å
170Y98.6Very high97Very high27 Ų2766.9 Ų66.911%0.10633%0.328CS..EExtended strand (participates in β ladder)trans-123144.7-166.3-66.6-93.1000111.7Y155 G168 G182 V185 K187Y155-Y170 CarbonylContact O-C 3.53Å; Y155-Y170 WeakPolarHBondContact O-CA 2.96Å; G168-Y170 VanDerWaalsContact O-CD2 3.25Å; G168-Y170 WeakPolarHBondContact O-CD2 3.24Å; G168-Y170 WeakPolarHBondContact O-CE2 3.49Å; Y170-G182 PolarHBondContact N-O 2.8Å; Y170-G182 VanDerWaalsContact O-CA 3.27Å; Y170-G182 WeakPolarHBondContact O-CA 3.32Å; Y170-V185 WeakPolarHBondContact O-CB 3.48Å; Y170-K187 HydrophobicContact CE1-CB 4.06Å; Y170-K187 HydrophobicContact CE1-CG 3.92Å; Y170-K187 HydrophobicContact CE2-CB 3.9Å
171L98.6Very high97Very high0 Ų067.1 Ų67.10%033%0.33CS..  trans-59.9136.4158.716864.6000108.2L81 I114 L131 Y155 I179 F194L81-L171 HydrophobicContact CD1-CD1 4.47Å; L81-L171 HydrophobicContact CD2-CD2 4.1Å; I114-L171 HydrophobicContact CD1-CD2 4.22Å; L131-L171 HydrophobicContact CD2-CB 4.18Å; L131-L171 HydrophobicContact CD2-CD1 3.27Å; L131-L171 HydrophobicContact CD2-CG 4.29Å; Y155-L171 HydrophobicContact CD2-CD2 4.1Å; Y155-L171 PolarHBondContact O-N 2.92Å; L171-I179 HydrophobicContact CD1-CD1 3.71Å; L171-F194 HydrophobicContact CB-CE2 4.47Å; L171-F194 HydrophobicContact CD1-CZ 4.44Å; L171-F194 HydrophobicContact CD2-CE2 4.17Å; L171-F194 HydrophobicContact CD2-CZ 4.14Å; L171-F194 HydrophobicContact CG-CE2 3.82Å; L171-F194 HydrophobicContact CG-CZ 3.77Å; L171-F194 WeakPolarHBondContact O-CE2 3.18Å
172G98.4Very high97.1Very high0 Ų061.9 Ų61.90%031%0.31CS..  trans-171.5155.8176.100000114.1I179 M180 A191G172-I179 WeakPolarHBondContact O-CD1 3.29Å; G172-M180 PolarHBondContact O-N 3.3Å; G172-A191 CarbonylContact C-O 3.56Å; G172-A191 WeakPolarHBondContact CA-O 3.31Å
173L98.6Very high97.2Very high0 Ų060.1 Ų60.10%030%0.303CS..BIsolated β-bridgetrans-111.3149.7176.1-60.7179.3000110.3L81 E178 I179 A191L81-L173 HydrophobicContact CD1-CD1 4.37Å; L81-L173 HydrophobicContact CD1-CD2 4.13Å; L81-L173 HydrophobicContact CD1-CG 4.44Å; L173-E178 CarbonylContact C-O 3.59Å; L173-E178 VanDerWaalsContact CA-O 3.28Å; L173-E178 WeakPolarHBondContact CA-O 3.46Å; L173-I179 HydrophobicContact CD2-CB 4.43Å; L173-I179 HydrophobicContact CD2-CD1 4.07Å; L173-A191 PolarHBondContact N-O 3.33Å; L173-A191 VanDerWaalsContact O-CA 3.29Å; L173-A191 WeakPolarHBondContact O-CA 3.49Å; L173-A191 WeakPolarHBondContact O-CB 3.43Å
174N98.1Very high97.4Very high30 Ų3057.5 Ų57.516%0.1629%0.29CS..  trans-78-166.9170.968.37.3000111.1Q77 E176 G177 E178 M180Q77-N174 WeakPolarHBondContact CB-O 3.5Å; Q77-N174 VanDerWaalsContact CG-O 3.29Å; Q77-N174 WeakPolarHBondContact CG-O 3.48Å; Q77-N174 PolarHBondContact NE2-O 3.19Å; N174-E176 VanDerWaalsContact C-N 3.28Å; N174-E176 PolarHBondContact ND2-OE2 3.13Å; N174-E176 WeakPolarHBondContact OD1-CA 3.06Å; N174-E176 WeakPolarHBondContact OD1-CB 3.16Å; N174-E176 PolarHBondContact OD1-N 2.97Å; N174-E176 PolarHBondContact OD1-OE2 3.01Å; N174-G177 PolarHBondContact OD1-N 2.88Å; N174-E178 PolarHBondContact N-O 3.41Å; N174-E178 PolarHBondContact ND2-OE2 2.94Å; N174-E178 PolarHBondContact OD1-N 3.07Å; N174-E178 PolarHBondContact OD1-O 3.44Å; N174-M180 HydrophobicContact CB-CG 3.89Å; N174-M180 HydrophobicContact CB-SD 3.91Å
175K97.9Very high97.7Very high158 Ų15848.3 Ų48.369%0.68725%0.248SC*.SBendtrans-78.8-20.1-179.9-68178.3179.71790111.8Y79 G177Y79-K175 VanDerWaalsContact CE2-O 3.27Å; Y79-K175 WeakPolarHBondContact CE2-O 3.32Å; Y79-K175 PolarHBondContact OH-O 3.36Å; K175-G177 VanDerWaalsContact C-N 3.33Å
176E98Very high97.9Very high118 Ų11849 Ų4955%0.55124%0.24SC*.SBendtrans-86.9-8.3-178.3-60.665.2-142.600111.5N174 E178N174-E176 VanDerWaalsContact C-N 3.28Å; N174-E176 PolarHBondContact ND2-OE2 3.13Å; N174-E176 WeakPolarHBondContact OD1-CA 3.06Å; N174-E176 WeakPolarHBondContact OD1-CB 3.16Å; N174-E176 PolarHBondContact OD1-N 2.97Å; N174-E176 PolarHBondContact OD1-OE2 3.01Å; E176-E178 HydrophobicContact CB-CG 4.21Å
177G97.5Very high98Very high3 Ų350.5 Ų50.53%0.03123%0.232CC..SBendtrans90.26.4-179.300000113.7D90 G91 N174 K175D90-G177 CarbonylContact C-O 3.57Å; G91-G177 VanDerWaalsContact CA-O 3.29Å; G91-G177 WeakPolarHBondContact CA-O 3.32Å; G91-G177 PolarHBondContact N-O 3.39Å; N174-G177 PolarHBondContact OD1-N 2.88Å; K175-G177 VanDerWaalsContact C-N 3.33Å
178E98.2Very high98Very high119 Ų11951.9 Ų51.956%0.55625%0.245SC*.BIsolated β-bridgetrans-88150.3-177.9-48.1169.613900111.4L173 N174 E176L173-E178 CarbonylContact C-O 3.59Å; L173-E178 VanDerWaalsContact CA-O 3.28Å; L173-E178 WeakPolarHBondContact CA-O 3.46Å; N174-E178 PolarHBondContact N-O 3.41Å; N174-E178 PolarHBondContact ND2-OE2 2.94Å; N174-E178 PolarHBondContact OD1-N 3.07Å; N174-E178 PolarHBondContact OD1-O 3.44Å; E176-E178 HydrophobicContact CB-CG 4.21Å
179I98.3Very high98Very high58 Ų5856.7 Ų56.730%0.29726%0.263SS..BIsolated β-bridgetrans-68.7132.3179.1-167.967.9000111.9I89 L131 L171 G172 L173I89-I179 HydrophobicContact CG2-CD1 4.06Å; I89-I179 HydrophobicContact CG2-CG1 4.38Å; I89-I179 WeakPolarHBondContact O-CB 3.44Å; I89-I179 WeakPolarHBondContact O-CG2 3.3Å; L131-I179 HydrophobicContact CB-CD1 4.43Å; L131-I179 HydrophobicContact CB-CG1 4.07Å; L131-I179 HydrophobicContact CD1-CD1 4.15Å; L131-I179 HydrophobicContact CD1-CG1 4.08Å; L131-I179 HydrophobicContact CD2-CD1 3.93Å; L131-I179 HydrophobicContact CD2-CG1 4.45Å; L131-I179 HydrophobicContact CG-CD1 4.4Å; L131-I179 HydrophobicContact CG-CG1 4.43Å; L171-I179 HydrophobicContact CD1-CD1 3.71Å; G172-I179 WeakPolarHBondContact O-CD1 3.29Å; L173-I179 HydrophobicContact CD2-CB 4.43Å; L173-I179 HydrophobicContact CD2-CD1 4.07Å
180M98.4Very high98Very high51 Ų5157.7 Ų57.725%0.25127%0.273SS..PPolyproline II helixtrans-99.2147.3178.5-65.6-177.771.400112L131 G172 N174 G182 H184 V185 A191L131-M180 VanDerWaalsContact CD1-O 3.28Å; L131-M180 WeakPolarHBondContact CD1-O 3.45Å; G172-M180 PolarHBondContact O-N 3.3Å; N174-M180 HydrophobicContact CB-CG 3.89Å; N174-M180 HydrophobicContact CB-SD 3.91Å; M180-G182 PolarHBondContact O-N 2.92Å; M180-H184 HydrophobicContact CE-CB 4.35Å; M180-V185 HydrophobicContact CB-CG2 3.51Å; M180-V185 HydrophobicContact CE-CG2 4.47Å; M180-V185 HydrophobicContact CG-CG2 4.44Å; M180-V185 HydrophobicContact SD-CG2 4.22Å; M180-A191 HydrophobicContact SD-CB 3.77Å
181K98.1Very high97.9Very high52 Ų5257 Ų5723%0.22627%0.272CS..PPolyproline II helixtrans-58.8130.1168.7-157.8179.7175.1160.40110.4E128 G129 Y130 N183 H184 V185E128-K181 WeakPolarHBondContact O-CE 3.28Å; E128-K181 PolarHBondContact O-NZ 2.9Å; G129-K181 CarbonylContact O-C 3.51Å; G129-K181 WeakPolarHBondContact O-CG 3.32Å; Y130-K181 HydrophobicContact CD1-CD 4.37Å; Y130-K181 HydrophobicContact CD1-CG 4.07Å; Y130-K181 HydrophobicContact CE1-CD 3.85Å; Y130-K181 HydrophobicContact CE1-CG 4.03Å; Y130-K181 PolarHBondContact OH-NZ 2.85Å; K181-N183 VanDerWaalsContact C-N 3.26Å; K181-N183 WeakPolarHBondContact CD-OD1 3.34Å; K181-N183 WeakPolarHBondContact CG-OD1 3.27Å; K181-N183 PolarHBondContact O-N 2.86Å; K181-N183 VanDerWaalsContact O-N 3.15Å; K181-H184 WeakPolarHBondContact O-CA 3.45Å; K181-H184 WeakPolarHBondContact O-CB 3.32Å; K181-H184 PolarHBondContact O-N 3.02Å; K181-V185 PolarHBondContact O-N 2.79Å
182G98.1Very high97.9Very high0 Ų057 Ų570%027%0.272CS..THydrogen-bonded Turntrans-61.8-29.4-168.700000114.6G129 W169 Y170 M180 H184 V185G129-G182 PolarHBondContact O-N 2.89Å; W169-G182 CarbonylContact C-O 3.54Å; W169-G182 VanDerWaalsContact CA-O 3.24Å; W169-G182 WeakPolarHBondContact CA-O 3.26Å; W169-G182 WeakPolarHBondContact CB-O 3.5Å; Y170-G182 PolarHBondContact N-O 2.8Å; Y170-G182 VanDerWaalsContact O-CA 3.27Å; Y170-G182 WeakPolarHBondContact O-CA 3.32Å; M180-G182 PolarHBondContact O-N 2.92Å; G182-H184 VanDerWaalsContact C-N 3.3Å; G182-H184 PolarHBondContact O-N 3.17Å; G182-V185 PolarHBondContact O-N 3.02Å
183N97.5Very high97.9Very high32 Ų3257 Ų5717%0.17127%0.273CS..THydrogen-bonded Turntrans-71.4-22.4173.969.5-35.4000113.1R167 W169 K181R167-N183 VanDerWaalsContact CZ-O 3.3Å; R167-N183 PolarHBondContact NH1-O 3.48Å; R167-N183 PolarHBondContact NH2-O 3.34Å; W169-N183 HydrophobicContact CD2-CB 3.9Å; W169-N183 HydrophobicContact CG-CB 4.12Å; W169-N183 HydrophobicContact CZ2-CB 3.91Å; K181-N183 VanDerWaalsContact C-N 3.26Å; K181-N183 WeakPolarHBondContact CD-OD1 3.34Å; K181-N183 WeakPolarHBondContact CG-OD1 3.27Å; K181-N183 PolarHBondContact O-N 2.86Å; K181-N183 VanDerWaalsContact O-N 3.15Å
184H97.7Very high97.9Very high120 Ų12057 Ų5756%0.55627%0.273SS*.THydrogen-bonded Turntrans-85.6-20.1177.3-62.4176.5000112.6M180 K181 G182M180-H184 HydrophobicContact CE-CB 4.35Å; K181-H184 WeakPolarHBondContact O-CA 3.45Å; K181-H184 WeakPolarHBondContact O-CB 3.32Å; K181-H184 PolarHBondContact O-N 3.02Å; G182-H184 VanDerWaalsContact C-N 3.3Å; G182-H184 PolarHBondContact O-N 3.17Å
185V98.4Very high97.9Very high1 Ų158 Ų581%0.00628%0.278CS..  trans-80.9130.2176.3-173.30000110.2R167 Y170 M180 K181 G182 A191 A192R167-V185 PolarHBondContact NH1-O 2.95Å; Y170-V185 WeakPolarHBondContact O-CB 3.48Å; M180-V185 HydrophobicContact CB-CG2 3.51Å; M180-V185 HydrophobicContact CE-CG2 4.47Å; M180-V185 HydrophobicContact CG-CG2 4.44Å; M180-V185 HydrophobicContact SD-CG2 4.22Å; K181-V185 PolarHBondContact O-N 2.79Å; G182-V185 PolarHBondContact O-N 3.02Å; V185-A191 HydrophobicContact CG1-CB 4.36Å; V185-A192 HydrophobicContact CG1-CB 3.55Å
186K97.7Very high97.9Very high104 Ų10452 Ų5245%0.45225%0.254SS..  trans-112.9137.6179.6-63.9180-178.51790110.2N188 K189 A192K186-N188 PolarHBondContact O-N 3.25Å; K186-N188 VanDerWaalsContact O-N 3.07Å; K186-K189 HydrophobicContact CB-CB 4.24Å; K186-K189 HydrophobicContact CB-CG 3.78Å; K186-K189 HydrophobicContact CD-CG 4.33Å; K186-K189 PolarHBondContact O-N 3.14Å; K186-A192 WeakPolarHBondContact O-CB 3.14Å
187K97.1Very high97.8Very high80 Ų8050.1 Ų50.135%0.34824%0.244SC..THydrogen-bonded Turntrans-51.6-35.2-178.5-164.8-170177.3-170.60114.2F148 T154 Y170 H193F148-K187 HydrophobicContact CD2-CD 4.41Å; F148-K187 HydrophobicContact CD2-CG 4.19Å; T154-K187 HydrophobicContact CG2-CG 4.19Å; Y170-K187 HydrophobicContact CE1-CB 4.06Å; Y170-K187 HydrophobicContact CE1-CG 3.92Å; Y170-K187 HydrophobicContact CE2-CB 3.9Å; K187-H193 PolarHBondContact O-NE2 3.03Å
188N96.3Very high97.8Very high101 Ų10154.2 Ų54.254%0.5427%0.27SS..THydrogen-bonded Turntrans-93.16.6-176.966.9-20.1000113.7F148 K186F148-N188 HydrophobicContact CE2-CB 4.03Å; F148-N188 HydrophobicContact CZ-CB 4Å; K186-N188 PolarHBondContact O-N 3.25Å; K186-N188 VanDerWaalsContact O-N 3.07Å
189K97.9Very high97.7Very high112 Ų11254.2 Ų54.249%0.48727%0.274SS..SBendtrans-104.5142.5178.8-67.5-64.2-174.6-179.10109.8K186 A191 A192 H193K186-K189 HydrophobicContact CB-CB 4.24Å; K186-K189 HydrophobicContact CB-CG 3.78Å; K186-K189 HydrophobicContact CD-CG 4.33Å; K186-K189 PolarHBondContact O-N 3.14Å; K189-A191 PolarHBondContact O-N 2.78Å; K189-A192 PolarHBondContact O-N 3.19Å; K189-H193 PolarHBondContact O-NE2 3.03Å
190P97.9Very high97.5Very high46 Ų4657.8 Ų57.830%0.29929%0.287SS..G310 helixtrans-49.1-32.4178.7-33.439.3000115.5R76 A192 H193R76-P190 HydrophobicContact CG-CB 4.28Å; P190-A192 PolarHBondContact O-N 2.93Å; P190-A192 VanDerWaalsContact O-N 3.13Å; P190-H193 WeakPolarHBondContact O-CB 3.35Å; P190-H193 PolarHBondContact O-N 3.48Å
191A98.3Very high97.5Very high12 Ų1259.6 Ų59.610%0.09930%0.301CS..G310 helixtrans-52.4-32.8175.500000114.2G172 L173 M180 V185 K189G172-A191 CarbonylContact C-O 3.56Å; G172-A191 WeakPolarHBondContact CA-O 3.31Å; L173-A191 PolarHBondContact N-O 3.33Å; L173-A191 VanDerWaalsContact O-CA 3.29Å; L173-A191 WeakPolarHBondContact O-CA 3.49Å; L173-A191 WeakPolarHBondContact O-CB 3.43Å; M180-A191 HydrophobicContact SD-CB 3.77Å; V185-A191 HydrophobicContact CG1-CB 4.36Å; K189-A191 PolarHBondContact O-N 2.78Å
192A98.4Very high97.3Very high0 Ų058.2 Ų58.20%030%0.299CS..G310 helixtrans-86.9-7.3-178.200000114T154 V185 K186 K189 P190 F194T154-A192 HydrophobicContact CG2-CB 4.31Å; T154-A192 WeakPolarHBondContact CG2-O 3.25Å; V185-A192 HydrophobicContact CG1-CB 3.55Å; K186-A192 WeakPolarHBondContact O-CB 3.14Å; K189-A192 PolarHBondContact O-N 3.19Å; P190-A192 PolarHBondContact O-N 2.93Å; P190-A192 VanDerWaalsContact O-N 3.13Å; A192-F194 WeakPolarHBondContact O-CD2 3.39Å
193H98.6Very high97.1Very high1 Ų163 Ų631%0.00532%0.323CS..  trans-96.8117.1-164.9-63.5168000110.9R76 F148 Y152 K187 K189 P190R76-H193 HydrophobicContact CB-CB 3.76Å; R76-H193 WeakPolarHBondContact CB-O 3.23Å; R76-H193 WeakPolarHBondContact CD-ND1 3.4Å; R76-H193 PolarHBondContact N-O 3.3Å; R76-H193 PolarHBondContact NH1-ND1 3.32Å; F148-H193 AromaticContact CD1-CD2 3.91Å; F148-H193 AromaticContact CD1-CE1 3.45Å; F148-H193 VanDerWaalsContact CD1-CE1 3.45Å; F148-H193 WeakPolarHBondContact CD1-CE1 3.49Å; F148-H193 AromaticContact CD1-NE2 3.2Å; F148-H193 WeakPolarHBondContact CD1-NE2 3.47Å; F148-H193 AromaticContact CE1-CE1 3.35Å; F148-H193 WeakPolarHBondContact CE1-CE1 3.41Å; F148-H193 AromaticContact CE1-NE2 3.38Å; F148-H193 WeakPolarHBondContact CE1-NE2 3.38Å; F148-H193 AromaticContact CG-NE2 3.73Å; Y152-H193 HydrophobicContact CD1-CB 3.69Å; Y152-H193 HydrophobicContact CD2-CB 4.3Å; Y152-H193 AromaticContact CD2-ND1 3.94Å; Y152-H193 HydrophobicContact CE1-CB 4.32Å; Y152-H193 HydrophobicContact CG-CB 3.67Å; Y152-H193 AromaticContact CG-CG 3.93Å; K187-H193 PolarHBondContact O-NE2 3.03Å; K189-H193 PolarHBondContact O-NE2 3.03Å; P190-H193 WeakPolarHBondContact O-CB 3.35Å; P190-H193 PolarHBondContact O-N 3.48Å
194F98.6Very high96.9Very high0 Ų062.9 Ų62.90%032%0.32CS..EExtended strand (participates in β ladder)trans-117.7147.2175.5-63.4-91.9000110.9L73 Y74 V153 Y155 L171 A192L73-F194 HydrophobicContact CB-CD1 4.21Å; Y74-F194 CarbonylContact O-C 3.6Å; Y74-F194 WeakPolarHBondContact O-CA 3.48Å; V153-F194 PolarHBondContact N-O 3.41Å; V153-F194 PolarHBondContact O-N 2.92Å; Y155-F194 HydrophobicContact CD2-CD2 4.19Å; Y155-F194 HydrophobicContact CE2-CB 4.18Å; Y155-F194 HydrophobicContact CE2-CG 4.47Å; L171-F194 HydrophobicContact CB-CE2 4.47Å; L171-F194 HydrophobicContact CD1-CZ 4.44Å; L171-F194 HydrophobicContact CD2-CE2 4.17Å; L171-F194 HydrophobicContact CD2-CZ 4.14Å; L171-F194 HydrophobicContact CG-CE2 3.82Å; L171-F194 HydrophobicContact CG-CZ 3.77Å; L171-F194 WeakPolarHBondContact O-CE2 3.18Å; A192-F194 WeakPolarHBondContact O-CD2 3.39Å
195L97.5Very high96.6Very high51 Ų5163.1 Ų63.127%0.26732%0.32SS..EExtended strand (participates in β ladder)trans-112.2106.3169.5-175.864.6000107.9Y74 K197Y74-L195 HydrophobicContact CD1-CB 4.47Å; Y74-L195 PolarHBondContact N-O 2.81Å; Y74-L195 PolarHBondContact O-N 3.21Å; L195-K197 PolarHBondContact O-N 3.26Å
196P97Very high96.1Very high31 Ų3167.9 Ų67.920%0.20134%0.341CS..EExtended strand (participates in β ladder)trans-61.5129.9171.2-21.333.5000109.7K72 L73 V153 P198K72-P196 WeakPolarHBondContact O-CA 3.31Å; L73-P196 HydrophobicContact CD2-CB 4.2Å; L73-P196 HydrophobicContact CD2-CG 4.17Å; V153-P196 HydrophobicContact CB-CG 4.25Å; V153-P196 HydrophobicContact CG2-CG 3.91Å; P196-P198 WeakPolarHBondContact O-CD 3.34Å
197K96.8Very high95.8Very high78 Ų7863.7 Ų63.734%0.33933%0.325SS..EExtended strand (participates in β ladder)trans-109.286.3169.6-65.8-179.5178.6176.80108T71 K72 H80 E95 L195T71-K197 WeakPolarHBondContact CA-O 3.32Å; T71-K197 PolarHBondContact OG1-N 3.3Å; T71-K197 PolarHBondContact OG1-O 3.35Å; T71-K197 VanDerWaalsContact OG1-O 3.05Å; K72-K197 HydrophobicContact CB-CB 4.34Å; K72-K197 PolarHBondContact N-O 3.19Å; K72-K197 PolarHBondContact O-N 3.44Å; H80-K197 PolarHBondContact CE1-NZ 3.36Å; H80-K197 PolarHBondContact NE2-NZ 3.34Å; H80-K197 VanDerWaalsContact NE2-NZ 3.14Å; E95-K197 IonicContact OE1-NZ 2.87Å; L195-K197 PolarHBondContact O-N 3.26Å
198P96.2Very high95.4Very high89 Ų8963.8 Ų63.858%0.57834%0.336SS*.EExtended strand (participates in β ladder)trans-65136.4-176.2-20.433.8000111.3I69 P196I69-P198 HydrophobicContact CD1-CB 4.22Å; I69-P198 HydrophobicContact CD1-CG 4.17Å; P196-P198 WeakPolarHBondContact O-CD 3.34Å
199L96Very high95.2Very high119 Ų11963.2 Ų63.262%0.62333%0.332SS*.EExtended strand (participates in β ladder)trans-99.3-52.5176.1-176.364.7000111.2V70 L101V70-L199 HydrophobicContact CG1-CD2 4.41Å; V70-L199 WeakPolarHBondContact O-CB 3.15Å; V70-L199 PolarHBondContact O-N 3.48Å; L101-L199 HydrophobicContact CD2-CD2 4.17Å
200K96.1Very high94.7Very high134 Ų13460.4 Ų60.458%0.58332%0.321SS*.EExtended strand (participates in β ladder)trans-153.6155.7178.262.1-178177.8-174.80111.8I69 V70I69-K200 CarbonylContact C-O 3.49Å; I69-K200 WeakPolarHBondContact CA-O 3.49Å; V70-K200 HydrophobicContact CB-CG 4.01Å; V70-K200 HydrophobicContact CG2-CG 4.07Å; V70-K200 PolarHBondContact N-O 2.47Å; V70-K200 PolarHBondContact O-N 3.21Å
201V96.4Very high93.9Very high88 Ų8863.1 Ų63.153%0.53333%0.333SS..EExtended strand (participates in β ladder)trans-80.5140.3169177.50000108.9K67 I69K67-V201 HydrophobicContact CD-CG1 4.25Å; K67-V201 VanDerWaalsContact CE-CG1 3.47Å; K67-V201 HydrophobicContact CG-CG1 3.73Å; I69-V201 HydrophobicContact CG2-CG2 4.26Å
202A94.7Very high92.8Very high23 Ų2365.6 Ų65.619%0.1934%0.344CS..EExtended strand (participates in β ladder)trans-139.3147.8177.100000111.3G68 V70 Y204G68-A202 CarbonylContact C-O 3.55Å; G68-A202 PolarHBondContact N-O 2.96Å; G68-A202 PolarHBondContact O-N 2.99Å; G68-A202 VanDerWaalsContact O-O 3.13Å; V70-A202 HydrophobicContact CG2-CB 4.32Å; A202-Y204 HydrophobicContact CB-CE1 4.3Å; A202-Y204 HydrophobicContact CB-CE2 3.83Å; A202-Y204 WeakPolarHBondContact O-CD2 3.47Å; A202-Y204 WeakPolarHBondContact O-CE2 3.38Å
203M93.6Very high91.3Very high102 Ų10270.4 Ų70.450%0.50237%0.374SS..EExtended strand (participates in β ladder)trans-91.3127.7172.9-60.2-56.4-63.300108.8Q65 L66 K67Q65-M203 HydrophobicContact CB-CB 4.47Å; Q65-M203 HydrophobicContact CB-CE 3.43Å; Q65-M203 VanDerWaalsContact CB-CE 3.43Å; L66-M203 CarbonylContact O-C 3.57Å; L66-M203 WeakPolarHBondContact O-CA 3.24Å; K67-M203 HydrophobicContact CB-CE 4.25Å; K67-M203 HydrophobicContact CB-SD 3.87Å; K67-M203 HydrophobicContact CG-SD 3.98Å
204Y92.7Very high89.3Confident28 Ų2875.7 Ų75.711%0.1140%0.398CS..EExtended strand (participates in β ladder)trans-115.9143.5179.2-59.7-79.6000109.8Q65 L66 I69 V70 N103 I105 A202Q65-Y204 CarbonylContact C-O 3.58Å; Q65-Y204 WeakPolarHBondContact CA-O 3.35Å; L66-Y204 PolarHBondContact N-O 3.48Å; L66-Y204 PolarHBondContact O-N 3.46Å; I69-Y204 PolarHBondContact O-OH 3.16Å; V70-Y204 WeakPolarHBondContact CG2-OH 3.2Å; N103-Y204 HydrophobicContact CB-CE1 3.76Å; N103-Y204 WeakPolarHBondContact CB-OH 3.41Å; N103-Y204 PolarHBondContact OD1-OH 3.38Å; I105-Y204 HydrophobicContact CD1-CD1 4.07Å; I105-Y204 HydrophobicContact CD1-CG 4.11Å; I105-Y204 HydrophobicContact CG1-CD1 4.18Å; I105-Y204 HydrophobicContact CG1-CD2 3.94Å; I105-Y204 HydrophobicContact CG1-CE1 4.46Å; I105-Y204 HydrophobicContact CG1-CE2 4.21Å; I105-Y204 HydrophobicContact CG1-CG 3.91Å; I105-Y204 HydrophobicContact CG2-CD2 4.41Å; I105-Y204 HydrophobicContact CG2-CG 4.39Å; A202-Y204 HydrophobicContact CB-CE1 4.3Å; A202-Y204 HydrophobicContact CB-CE2 3.83Å; A202-Y204 WeakPolarHBondContact O-CD2 3.47Å; A202-Y204 WeakPolarHBondContact O-CE2 3.38Å
205K91.7Very high87.2Confident126 Ų12679.9 Ų79.955%0.54842%0.417SS..EExtended strand (participates in β ladder)trans-65.9140.8162.2179.7171.2178.91520108.7E63 P207E63-K205 IonicContact OE1-NZ 2.83Å; E63-K205 PolarHBondContact OE1-NZ 3.45Å; E63-K205 WeakPolarHBondContact OE2-CD 3.35Å; E63-K205 VanDerWaalsContact OE2-CE 3.27Å; E63-K205 WeakPolarHBondContact OE2-CE 3.45Å; E63-K205 IonicContact OE2-NZ 3.89Å; E63-K205 PolarHBondContact OE2-NZ 3.28Å; K205-P207 WeakPolarHBondContact O-CD 3.3Å
206E89.4Confident84.8Confident100 Ų10082.7 Ų82.747%0.46744%0.44SS..PPolyproline II helixtrans-58.3121.1172.7-176.4165.4-166.500110.5L66L66-E206 HydrophobicContact CD1-CB 3.93Å; L66-E206 HydrophobicContact CD1-CG 4.07Å; L66-E206 HydrophobicContact CG-CB 4.27Å
207P90.4Very high82.4Confident17 Ų1791.6 Ų91.611%0.1147%0.47CS..PPolyproline II helixtrans-62.3137179.5-23.334.3000111.7I105 F137 K205 L209I105-P207 HydrophobicContact CD1-CG 4.42Å; I105-P207 HydrophobicContact CG2-CG 4.45Å; F137-P207 HydrophobicContact CB-CB 3.71Å; F137-P207 HydrophobicContact CD1-CB 3.6Å; F137-P207 HydrophobicContact CD2-CB 4.28Å; F137-P207 HydrophobicContact CE1-CB 4.25Å; F137-P207 HydrophobicContact CG-CB 3.6Å; F137-P207 HydrophobicContact CG-CG 4.48Å; K205-P207 WeakPolarHBondContact O-CD 3.3Å; P207-L209 PolarHBondContact O-N 3.17Å
208S89.4Confident79.8Confident81 Ų8193.3 Ų93.357%0.56649%0.492SS*.PPolyproline II helixtrans-69.8117.9176.5-59.10000110.1H210S208-H210 PolarHBondContact O-CE1 3.49Å; S208-H210 PolarHBondContact O-N 3Å; S208-H210 PolarHBondContact O-ND1 3.1Å
209L91.6Very high77.2Confident90 Ų9092 Ų9247%0.47149%0.494SS..BIsolated β-bridgetrans-74.4118.9178.8-173.766.4000110.1F137 P139 P207F137-L209 HydrophobicContact CD1-CB 4.38Å; F137-L209 HydrophobicContact CD1-CD1 3.95Å; F137-L209 HydrophobicContact CE1-CD1 3.87Å; F137-L209 WeakPolarHBondContact O-CA 3.46Å; P139-L209 HydrophobicContact CG-CD1 4.19Å; P207-L209 PolarHBondContact O-N 3.17Å
210H87.4Confident74.5Confident53 Ų5392.4 Ų92.425%0.24551%0.507CS..PPolyproline II helixtrans-103.1142.7175.1-64.173.1000110.1L136 F137 P139 S208 E214L136-H210 HydrophobicContact CB-CB 4.47Å; L136-H210 HydrophobicContact CD1-CB 4.48Å; F137-H210 PolarHBondContact O-N 3.3Å; P139-H210 WeakPolarHBondContact CD-O 3.28Å; S208-H210 PolarHBondContact O-CE1 3.49Å; S208-H210 PolarHBondContact O-N 3Å; S208-H210 PolarHBondContact O-ND1 3.1Å; H210-E214 IonicContact CD2-OE2 3.79Å
211D81.2Confident71.7Confident103 Ų10389.1 Ų89.155%0.55151%0.512SS*.PPolyproline II helixtrans-75.7145.2176.4-75-34.1000110.9T213 E214D211-T213 PolarHBondContact O-N 3.28Å; D211-T213 VanDerWaalsContact O-N 3.1Å; D211-E214 PolarHBondContact O-N 3.4Å
212L74.2Confident69.2Low63 Ų6391.6 Ų91.633%0.3353%0.527SS..G310 helixtrans-62.8-19.2-179.1-63.3173.4000112.9T138 E140 E214 F215T138-L212 HydrophobicContact CG2-CD2 4.11Å; E140-L212 HydrophobicContact CB-CD2 4.41Å; E140-L212 HydrophobicContact CG-CD1 4.12Å; E140-L212 HydrophobicContact CG-CD2 3.88Å; L212-E214 VanDerWaalsContact C-N 3.32Å; L212-E214 PolarHBondContact O-N 3.33Å; L212-F215 WeakPolarHBondContact O-CD2 3.48Å
213T67.1Low66.7Low102 Ų10296.3 Ų96.363%0.62656%0.556SS**G310 helixtrans-76.6-14.9-177.251.30000113.8D211D211-T213 PolarHBondContact O-N 3.28Å; D211-T213 VanDerWaalsContact O-N 3.1Å
214E57.2Low64.3Low111 Ų11197.7 Ų97.752%0.51957%0.57SS.*G310 helixtrans-76.9-22.3178.6-66.5-168160.400112.7H210 D211 L212 S216 R217H210-E214 IonicContact CD2-OE2 3.79Å; D211-E214 PolarHBondContact O-N 3.4Å; L212-E214 VanDerWaalsContact C-N 3.32Å; L212-E214 PolarHBondContact O-N 3.33Å; E214-S216 VanDerWaalsContact C-N 3.31Å; E214-S216 PolarHBondContact O-N 3.48Å; E214-R217 PolarHBondContact O-N 3.37Å
215F55.2Low61.9Low89 Ų89106.5 Ų106.539%0.3961%0.609SS.*THydrogen-bonded Turntrans-73.5-20.9-179.6-60.9-86.5000113.7L136 T138 L212 R217L136-F215 HydrophobicContact CB-CE1 4.11Å; L136-F215 HydrophobicContact CB-CZ 3.73Å; L136-F215 HydrophobicContact CD1-CE1 3.75Å; L136-F215 HydrophobicContact CD1-CZ 3.72Å; L136-F215 HydrophobicContact CG-CE1 4.22Å; L136-F215 HydrophobicContact CG-CZ 4.22Å; T138-F215 HydrophobicContact CG2-CE2 3.33Å; T138-F215 HydrophobicContact CG2-CZ 3.35Å; L212-F215 WeakPolarHBondContact O-CD2 3.48Å; F215-R217 VanDerWaalsContact C-N 3.26Å; F215-R217 PolarHBondContact O-N 3.2Å
216S45.8Very low59.6Low109 Ų109105.9 Ų105.976%0.76262%0.62SS**THydrogen-bonded Turntrans-78.1-7.9176.9-48.70000113.6E214E214-S216 VanDerWaalsContact C-N 3.31Å; E214-S216 PolarHBondContact O-N 3.48Å
217R47.4Very low57.5Low218 Ų218112.6 Ų112.682%0.82364%0.641SS**SBendtrans-112.3-0.9-171.7-56.7-174.197.7174.47.2114.7E214 F215 G219E214-R217 PolarHBondContact O-N 3.37Å; F215-R217 VanDerWaalsContact C-N 3.26Å; F215-R217 PolarHBondContact O-N 3.2Å; R217-G219 VanDerWaalsContact C-N 3.27Å; R217-G219 PolarHBondContact O-N 3.36Å
218S42.8Very low55.4Low115 Ų115116.8 Ų116.880%0.80467%0.671SS**SBendtrans-92.758.5178.1-57.30000111.3
219G40.5Very low53.4Low61 Ų61119.2 Ų119.263%0.62968%0.682SS**SBendtrans-164.4118.617300000107.7R217R217-G219 VanDerWaalsContact C-N 3.27Å; R217-G219 PolarHBondContact O-N 3.36Å
220S39.6Very low51.3Low127 Ų127120.4 Ų120.489%0.88870%0.698SS**SBendtrans83.5101.1179-179.10000117.7
221G38Very low49.5Very low66 Ų66121 Ų12168%0.6872%0.719SS**  88.4106.4119.200000117.3
222T42.9Very low48.1Very low139 Ų139122.4 Ų122.485%0.85373%0.731SS**  trans-52.3144.6157.743.60000111.5
223P43.6Very low47.3Very low122 Ų122126.6 Ų126.679%0.79275%0.753SS**  trans-122115.21353.417.3000109.8K225P223-K225 PolarHBondContact O-N 3.28Å
224T42.2Very low46.5Very low131 Ų131129.4 Ų129.480%0.80476%0.764SS**  trans-48126.1164.829.30000111.8
225K42Very low45.9Very low214 Ų214127.9 Ų127.993%0.9378%0.778SS**  trans-72.9121.6163.5-95.4-179.9167.5177.60109.8P223P223-K225 PolarHBondContact O-N 3.28Å
226S44.3Very low45.4Very low112 Ų112127.8 Ų127.878%0.78380%0.802SS**  trans-128.1108153.244.60000109.5
227R45.6Very low45.4Very low241 Ų241132.6 Ų132.691%0.90981%0.81SS**  trans-51.2142.2144.4-76.4165.2142.8-175.2-8.8106.1
228S44.7Very low45.4Very low106 Ų106127.6 Ų127.674%0.74181%0.808SS**  cis-176.6154.945.47.50000104.4
229V48.2Very low45.9Very low132 Ų132130.4 Ų130.480%0.881%0.81SS**  170.1145.3102165.10000106.7
230S48Very low46.4Very low114 Ų114132.3 Ų132.380%0.79781%0.814SS**  trans-48154.2176.348.30000119.3
231G48.5Very low47.2Very low67 Ų67133.9 Ų133.969%0.69181%0.807SS**  trans162.3102147.900000115
232V52Low47.8Very low131 Ų131136.6 Ų136.679%0.79481%0.806SS**  62.798.2114.1-175.80000114.5
233L57.9Low48.2Very low151 Ų151138.4 Ų138.479%0.79181%0.805SS**  72.5138.996.2-70168.5000117.2
234N50.2Low48.9Very low162 Ų162137.8 Ų137.887%0.86680%0.804SS**  trans74.3133.9168.8-67.6-6.1000116.1
235G45.1Very low49.6Very low79 Ų79141.9 Ų141.981%0.81483%0.828SS**  cis128.2131.519.600000108.1
236G44.3Very low50Low87 Ų87138.3 Ų138.390%0.89782%0.823SS**  trans117.5140.6161.700000117.5
237K46.1Very low50.3Low210 Ų210139.6 Ų139.691%0.91383%0.825SS**  trans-100.6154.3-169.9-69.3170164.2174.40112.7
238S47.1Very low50.5Low113 Ų113134 Ų13479%0.7982%0.821SS**  trans175.5118.7133.558.20000107.6
239M52.5Low50.9Low173 Ų173135.6 Ų135.685%0.85283%0.825SS**  64126.676.5-80.4-156.274.900117.6
240S52.2Low51Low101 Ų101135.9 Ų135.971%0.70683%0.827SS**  trans77.2145155.2840000116.4
241H55.1Low51.2Low161 Ų161137.3 Ų137.375%0.74583%0.829SS**  cis-172.9169.3-3.9-129.9-95.2000107.8
242N50.9Low51.4Low123 Ų123142.4 Ų142.466%0.65884%0.839SS**  trans86.2111.1158.3-58.8-6.8000117.8
243E51.8Low51.4Low176 Ų176143.2 Ų143.282%0.82284%0.842SS**  55.7121.482.8-83.2-172.511500111.7
244S57.3Low50.9Low110 Ų110142.6 Ų142.677%0.76985%0.847SS**  -173.4135.269.2-43.80000110.8
245T57.5Low50.9Low216 Ų216140.8 Ų140.8100%1.32585%0.845SS**  trans153.50138-560000109.2

Retrieved 245 of 245 residues in 576.7 ms (Link to these results)