A0A096N1F8_PAPAN Loading...

Fibroblast growth factor

AlphaFold DB (Q5RDS9), UniProt , Accession A0A096N1F8, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, 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 41 ms (Link to these results)