A0A077ZIW9_TRITR Loading...

HlyD domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIW9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 369 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
1M42.8Very low43.7Very low231 Ų231146.1 Ų146.1100%1.13884%0.839SS**  0105.10-87.8-93.9-172.900107.2
2L49.6Very low43.2Very low142 Ų142145.7 Ų145.774%0.74383%0.832SS**  trans44110.8161.7-64.892.1000119
3T48.2Very low42.9Very low128 Ų128142.8 Ų142.879%0.78584%0.837SS**  48.5133.976.263.60000112.9
4A42.9Very low42.9Very low93 Ų93137.9 Ų137.977%0.76982%0.821SS**  cis-170.7159.4-1.500000106.4
5C49.3Very low43.7Very low126 Ų126134.9 Ų134.985%0.85182%0.818SS**  trans-56.3151.3167.6-63.90000112.4
6D43.9Very low45.2Very low145 Ų145138 Ų13878%0.77582%0.823SS**  trans-154.6136.8131.8-131.91.3000114.1
7D45.8Very low47Very low135 Ų135133.1 Ų133.172%0.72279%0.794SS**  trans5798.8156.9-69.2-25.3000123.9S9D7-S9 PolarHBondContact O-N 3.08Å
8K39.7Very low49.2Very low202 Ų202127.5 Ų127.588%0.87876%0.762SS**  trans-41.1113.7132.2-78.3173.8168.5173.90111.6
9S39.4Very low51.3Low122 Ų122125.8 Ų125.885%0.85375%0.745SS**  trans-177.374.8142.3-79.10000109.6D7D7-S9 PolarHBondContact O-N 3.08Å
10A41.7Very low53.2Low109 Ų109119.6 Ų119.690%0.90171%0.708SS**  trans-128.554.6161.700000108.2
11E37.7Very low54.9Low174 Ų174113.9 Ų113.981%0.81368%0.675SS**  trans-95.7112.8172.6-161.3162.2-164.300107.3
12N37.7Very low57.1Low141 Ų141103.3 Ų103.375%0.75462%0.623SS**  trans61.367.1162.4-63.9-35000118.8A14N12-A14 PolarHBondContact O-N 3.27Å
13A39.1Very low59.1Low108 Ų10898.1 Ų98.189%0.89360%0.597SS**  trans-83.163143.900000109.2A15A13-A15 PolarHBondContact O-N 3.21Å
14A43.6Very low61.2Low75 Ų7596.1 Ų96.162%0.6259%0.585SS**  trans-61.9109.7163.400000106.2N12 M16N12-A14 PolarHBondContact O-N 3.27Å; A14-M16 PolarHBondContact O-N 3.32Å
15A54.3Low63.5Low93 Ų9392 Ų9277%0.76955%0.55SS*.  trans-44.1105.7-179.700000110.1A13 T17A13-A15 PolarHBondContact O-N 3.21Å; A15-T17 PolarHBondContact O-N 3.06Å
16M66.9Low65.3Low184 Ų18490.1 Ų90.191%0.90654%0.538SS*.  trans-65.3102.8177.6-7218073.900107.4A14A14-M16 PolarHBondContact O-N 3.32Å
17T77.4Confident67.2Low54 Ų5486.5 Ų86.533%0.33152%0.523SS..PPolyproline II helixtrans-58.5122171.240.30000108.5A15 K352A15-T17 PolarHBondContact O-N 3.06Å; T17-K352 HydrophobicContact CG2-CB 4.12Å
18P85.6Confident69Low33 Ų3381.3 Ų81.321%0.21450%0.501CS..PPolyproline II helixtrans-60.2141.5-177.624.2-33.7000111R346 I347 I351 K352 A353 R354P18-R346 HydrophobicContact CB-CB 4.42Å; P18-I347 HydrophobicContact CB-CG2 4.32Å; P18-I347 HydrophobicContact CG-CG2 4Å; P18-I351 HydrophobicContact CG-CD1 3.83Å; P18-K352 WeakPolarHBondContact CD-O 3.2Å; P18-A353 HydrophobicContact CG-CB 4.39Å; P18-A353 CarbonylContact O-C 3.56Å; P18-A353 WeakPolarHBondContact O-CA 3.29Å; P18-R354 PolarHBondContact O-N 2.93Å
19E88.4Confident71Confident95 Ų9575.1 Ų75.144%0.44448%0.483SS..EExtended strand (participates in β ladder)trans-88.2135.2174.7-65.3-177.2166.900110.5R354 I356E19-R354 VanDerWaalsContact CA-O 3.32Å; E19-R354 WeakPolarHBondContact CA-O 3.5Å; E19-R354 HydrophobicContact CG-CB 4.23Å; E19-R354 IonicContact OE1-NH1 2.67Å; E19-I356 HydrophobicContact CB-CD1 4.35Å; E19-I356 HydrophobicContact CB-CG2 4.3Å; E19-I356 HydrophobicContact CG-CG2 4.48Å
20V89.2Confident73.1Confident1 Ų170.4 Ų70.41%0.00645%0.449CS..EExtended strand (participates in β ladder)trans-133136.7-176.7-67.10000111V22 I340 I347 A353 R354 I356V20-V22 HydrophobicContact CG2-CG2 3.98Å; V20-I340 HydrophobicContact CB-CG2 3.83Å; V20-I340 HydrophobicContact CG1-CG2 4.22Å; V20-I340 HydrophobicContact CG2-CD1 4.21Å; V20-I340 HydrophobicContact CG2-CG1 4.26Å; V20-I340 HydrophobicContact CG2-CG2 4.41Å; V20-I347 HydrophobicContact CG1-CD1 4.11Å; V20-I347 HydrophobicContact CG1-CG2 3.44Å; V20-I347 VanDerWaalsContact CG1-CG2 3.44Å; V20-A353 HydrophobicContact CG1-CB 4.14Å; V20-A353 HydrophobicContact CG2-CB 3.82Å; V20-R354 PolarHBondContact N-O 2.92Å; V20-I356 VanDerWaalsContact C-CG1 3.48Å; V20-I356 WeakPolarHBondContact O-CG1 3.5Å; V20-I356 PolarHBondContact O-N 3.05Å
21G89.6Confident75.1Confident0 Ų070 Ų700%043%0.432CS..EExtended strand (participates in β ladder)trans-74.1126.8173.100000110.2I340 V341 S342 I356G21-I340 CarbonylContact O-C 3.56Å; G21-I340 WeakPolarHBondContact O-CA 3.22Å; G21-V341 PolarHBondContact O-N 2.96Å; G21-S342 WeakPolarHBondContact CA-OG 3.15Å; G21-S342 PolarHBondContact N-O 3.26Å; G21-S342 PolarHBondContact N-OG 3.02Å; G21-S342 PolarHBondContact O-N 2.94Å; G21-I356 WeakPolarHBondContact CA-O 3.38Å
22V89.8Confident77.1Confident10 Ų1062.6 Ų62.66%0.06140%0.399CS..EExtended strand (participates in β ladder)trans-123.9135.4-175.7177.70000110.6V20 L306 R338 V339 I340 A355 I356 S358V20-V22 HydrophobicContact CG2-CG2 3.98Å; V22-L306 HydrophobicContact CG2-CD2 4.5Å; V22-R338 HydrophobicContact CG1-CB 3.47Å; V22-R338 VanDerWaalsContact CG1-CB 3.47Å; V22-R338 HydrophobicContact CG1-CG 3.98Å; V22-V339 CarbonylContact C-O 3.56Å; V22-V339 VanDerWaalsContact CA-O 3.28Å; V22-V339 WeakPolarHBondContact CA-O 3.39Å; V22-I340 HydrophobicContact CG2-CG1 4.24Å; V22-A355 HydrophobicContact CB-CB 4.26Å; V22-A355 HydrophobicContact CG2-CB 3.78Å; V22-I356 PolarHBondContact N-O 2.93Å; V22-S358 PolarHBondContact O-N 3.49Å; V22-S358 PolarHBondContact O-OG 3.25Å
23V91.5Very high79.4Confident33 Ų3360 Ų6020%0.238%0.384CS..EExtended strand (participates in β ladder)trans-107.9125.2166.9176.60000108.5P289 V339 V341 S358V23-P289 HydrophobicContact CG2-CG 4.25Å; V23-V339 PolarHBondContact N-O 3.06Å; V23-V339 PolarHBondContact O-N 3.07Å; V23-V341 HydrophobicContact CB-CG1 4.17Å; V23-V341 HydrophobicContact CG2-CB 4.46Å; V23-V341 HydrophobicContact CG2-CG1 3.76Å; V23-V341 HydrophobicContact CG2-CG2 3.87Å; V23-S358 WeakPolarHBondContact CG2-OG 3.4Å
24T91.2Very high81.6Confident85 Ų8556.2 Ų56.252%0.52135%0.351SS..EExtended strand (participates in β ladder)trans-85.2122.9173.4-56.60000108.7S26T24-S26 PolarHBondContact O-N 2.91Å
25L91.1Very high83.9Confident6 Ų659.2 Ų59.23%0.03135%0.352CS..  trans-75.9126.1-175.7-56.3-178.2000111.4L286 V288 L333 G336 D337 V339L25-L286 HydrophobicContact CB-CD2 4.13Å; L25-L286 HydrophobicContact CD1-CB 4.37Å; L25-L286 HydrophobicContact CD1-CD1 4.23Å; L25-V288 HydrophobicContact CD1-CG2 3.94Å; L25-V288 HydrophobicContact CD2-CG2 3.85Å; L25-L333 HydrophobicContact CD1-CB 3.97Å; L25-L333 HydrophobicContact CD1-CD1 3.84Å; L25-L333 HydrophobicContact CD1-CG 4.36Å; L25-G336 PolarHBondContact O-N 3.25Å; L25-D337 HydrophobicContact CD1-CB 4.39Å; L25-D337 WeakPolarHBondContact CG-O 3.32Å; L25-D337 PolarHBondContact N-O 2.74Å; L25-V339 HydrophobicContact CD1-CG2 3.64Å; L25-V339 HydrophobicContact CD2-CB 4.47Å; L25-V339 HydrophobicContact CD2-CG2 3.94Å; L25-V339 HydrophobicContact CG-CG2 3.8Å
26S86.9Confident85.8Confident88 Ų8855.3 Ų55.362%0.61532%0.319SS*.  trans-111.9140.8168.556.20000110.1T24 G28T24-S26 PolarHBondContact O-N 2.91Å; S26-G28 PolarHBondContact O-N 3.29Å
27P85.6Confident87.2Confident69 Ų6948.8 Ų48.845%0.44829%0.29SS..EExtended strand (participates in β ladder)trans-57.6126171-21.632.6000110.7L286 A335P27-L286 HydrophobicContact CG-CD2 4.47Å; P27-A335 HydrophobicContact CG-CB 3.66Å
28G83Confident88Confident26 Ų2646.4 Ų46.427%0.26828%0.276SS..EExtended strand (participates in β ladder)trans-114.4178.1173.600000112S26 N284 V285S26-G28 PolarHBondContact O-N 3.29Å; G28-N284 PolarHBondContact O-N 3.29Å; G28-V285 PolarHBondContact N-O 3.2Å; G28-V285 PolarHBondContact O-N 2.64Å; G28-V285 VanDerWaalsContact O-N 3.09Å
29S82.5Confident88.5Confident72 Ų7252.4 Ų52.450%0.50330%0.295SS..EExtended strand (participates in β ladder)trans-119.8136.4169.762.10000109.6R282S29-R282 WeakPolarHBondContact CA-O 3.46Å
30V83.2Confident88.9Confident22 Ų2248 Ų4813%0.13327%0.274CS..EExtended strand (participates in β ladder)trans-125.9133176.6-1710000110.5S281 R282 V285 L287 I323V30-S281 CarbonylContact O-C 3.57Å; V30-S281 WeakPolarHBondContact O-CA 3.36Å; V30-R282 PolarHBondContact N-O 3.34Å; V30-R282 VanDerWaalsContact N-O 3.09Å; V30-R282 PolarHBondContact O-N 3.21Å; V30-V285 HydrophobicContact CG2-CG1 4.5Å; V30-L287 HydrophobicContact CG2-CD1 3.94Å; V30-L287 HydrophobicContact CG2-CD2 3.93Å; V30-L287 HydrophobicContact CG2-CG 4.24Å; V30-I323 HydrophobicContact CB-CD1 4.34Å; V30-I323 HydrophobicContact CG1-CD1 3.38Å; V30-I323 HydrophobicContact CG1-CG2 4.3Å
31N83.1Confident89.3Confident100 Ų10050 Ų5054%0.53529%0.286SS..EExtended strand (participates in β ladder)trans-67.7134.1176-66.8-3.9000110.3G280N31-G280 CarbonylContact C-O 3.56Å; N31-G280 WeakPolarHBondContact CA-O 3.44Å
32V80.5Confident89.6Confident19 Ų1950.7 Ų50.712%0.11529%0.291CS..EExtended strand (participates in β ladder)trans-98.998.8176.3-175.90000107M206 I215 E279 G280 R282V32-M206 HydrophobicContact CG1-CE 4.4Å; V32-I215 HydrophobicContact CG1-CD1 4.46Å; V32-I215 HydrophobicContact CG2-CD1 4.17Å; V32-I215 HydrophobicContact CG2-CG1 4.41Å; V32-E279 HydrophobicContact CB-CB 4.35Å; V32-E279 HydrophobicContact CG1-CB 4.25Å; V32-E279 PolarHBondContact O-N 3.1Å; V32-G280 PolarHBondContact N-O 3.26Å; V32-R282 HydrophobicContact CG2-CB 3.96Å
33L84.7Confident89.9Confident87 Ų8754 Ų5446%0.45530%0.303SS..EExtended strand (participates in β ladder)trans-93.5130.9171.4-61.6174.4000109V277 D278L33-V277 WeakPolarHBondContact CA-O 3.39Å; L33-D278 HydrophobicContact CD2-CB 4.07Å
34S86.8Confident90.1Very high28 Ų2855.2 Ų55.220%0.19631%0.306CS..EExtended strand (participates in β ladder)trans-114.5129172.5-81.50000110.5V277 E279S34-V277 PolarHBondContact N-O 2.98Å; S34-V277 PolarHBondContact O-N 2.89Å; S34-E279 WeakPolarHBondContact CB-OE1 3.38Å; S34-E279 WeakPolarHBondContact CB-OE2 3.18Å; S34-E279 PolarHBondContact OG-OE1 2.88Å; S34-E279 PolarHBondContact OG-OE2 2.99Å
35E91.4Very high90.4Very high138 Ų13854.9 Ų54.965%0.64530%0.304SS*.EExtended strand (participates in β ladder)trans-91.1112173.8-52.6-157.1161.700108.8T274 A275 L276E35-T274 HydrophobicContact CB-CG2 4.23Å; E35-A275 CarbonylContact C-O 3.53Å; E35-A275 VanDerWaalsContact CA-O 3.31Å; E35-A275 WeakPolarHBondContact CA-O 3.44Å; E35-L276 HydrophobicContact CG-CD2 3.66Å
36L93.4Very high90.7Very high12 Ų1255.2 Ų55.26%0.06331%0.308CS..EExtended strand (participates in β ladder)trans-115.2130.3-178.5-59.3-177.4000110.3L196 Q198 L256 A275 V277L36-L196 HydrophobicContact CB-CB 4.25Å; L36-Q198 HydrophobicContact CD1-CB 4.23Å; L36-Q198 HydrophobicContact CD2-CB 4.13Å; L36-Q198 HydrophobicContact CD2-CG 4.04Å; L36-L256 HydrophobicContact CD1-CD1 3.81Å; L36-A275 PolarHBondContact N-O 2.79Å; L36-A275 PolarHBondContact O-N 3Å; L36-V277 HydrophobicContact CD1-CG2 3.96Å; L36-V277 HydrophobicContact CG-CG2 4.38Å
37P95.5Very high91.2Very high46 Ų4656 Ų5630%0.29930%0.302SS..EExtended strand (participates in β ladder)trans-72152.6172.132.6-34.9000110.5L196 T197 Y272P37-L196 CarbonylContact O-C 3.49Å; P37-L196 WeakPolarHBondContact O-CA 3.29Å; P37-T197 PolarHBondContact O-N 2.87Å; P37-Y272 HydrophobicContact CB-CE2 4Å; P37-Y272 WeakPolarHBondContact CB-OH 3.5Å
38G95.6Very high91.7Very high5 Ų553 Ų535%0.05228%0.282CS..EExtended strand (participates in β ladder)trans-167.3-179.3176.300000114.7D195 Y272 V273G38-D195 CarbonylContact C-O 3.15Å; G38-D195 WeakPolarHBondContact CA-O 3.1Å; G38-Y272 WeakPolarHBondContact O-CD2 3.28Å; G38-V273 PolarHBondContact N-O 3.34Å; G38-V273 PolarHBondContact O-N 2.85Å
39R96.2Very high92.3Very high158 Ų15856.1 Ų56.160%0.59629%0.286SS*.EExtended strand (participates in β ladder)trans-131.9142.7176.9-70.7-169175.2-155.3-2.1111.7V194 D195 M271R39-V194 WeakPolarHBondContact O-CA 3.29Å; R39-D195 PolarHBondContact N-O 2.98Å; R39-D195 PolarHBondContact O-N 2.79Å; R39-M271 VanDerWaalsContact CA-O 3.27Å; R39-M271 WeakPolarHBondContact CA-O 3.49Å
40T96.9Very high93Very high2 Ų252.7 Ų52.71%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-72.9140172.953.60000110.7Y193 V194 L267 L268 G270 M271 V273T40-Y193 CarbonylContact C-O 3.46Å; T40-Y193 WeakPolarHBondContact CA-O 3.43Å; T40-V194 HydrophobicContact CG2-CG2 4.1Å; T40-L267 HydrophobicContact CG2-CB 4.4Å; T40-L267 HydrophobicContact CG2-CD2 4.5Å; T40-L268 PolarHBondContact OG1-O 3.3Å; T40-G270 PolarHBondContact O-N 3.46Å; T40-G270 PolarHBondContact OG1-N 2.83Å; T40-G270 VanDerWaalsContact OG1-N 3.13Å; T40-M271 HydrophobicContact CG2-CB 4.29Å; T40-M271 PolarHBondContact N-O 3.09Å; T40-M271 PolarHBondContact OG1-N 3.27Å; T40-M271 PolarHBondContact OG1-O 2.79Å; T40-V273 HydrophobicContact CG2-CG1 4.13Å
41V96.5Very high93.6Very high44 Ų4456.5 Ų56.527%0.26728%0.278SS..EExtended strand (participates in β ladder)trans-134.7139.9-179.1-179.20000108.4I192 Y193 D195V41-I192 WeakPolarHBondContact O-CG1 3.43Å; V41-Y193 PolarHBondContact N-O 2.86Å; V41-Y193 PolarHBondContact O-N 3Å; V41-D195 HydrophobicContact CG2-CB 4.37Å
42P96.6Very high94.3Very high15 Ų1552.2 Ų52.210%0.09726%0.255CS..EExtended strand (participates in β ladder)trans-58.9149.7177-16.930.2000111V45 Q187 L189 P269P42-V45 HydrophobicContact CB-CG2 3.72Å; P42-V45 HydrophobicContact CG-CG2 3.7Å; P42-Q187 HydrophobicContact CB-CB 4.13Å; P42-Q187 HydrophobicContact CB-CG 4.43Å; P42-Q187 HydrophobicContact CG-CB 4.39Å; P42-Q187 HydrophobicContact CG-CG 4.26Å; P42-L189 HydrophobicContact CB-CD2 4.23Å; P42-P269 HydrophobicContact CB-CG 4.4Å; P42-P269 HydrophobicContact CG-CB 3.77Å; P42-P269 HydrophobicContact CG-CG 3.64Å
43Y96Very high95Very high78 Ų7853.2 Ų53.231%0.30627%0.27SS..EExtended strand (participates in β ladder)trans-68.1-39.8176.9180-94.7000112.1R188 P191 Y193 I259Y43-R188 PolarHBondContact N-O 2.82Å; Y43-P191 WeakPolarHBondContact CB-O 3.25Å; Y43-P191 HydrophobicContact CD2-CG 3.69Å; Y43-P191 HydrophobicContact CE2-CG 3.98Å; Y43-P191 HydrophobicContact CG-CG 4.06Å; Y43-Y193 HydrophobicContact CD2-CD2 4.17Å; Y43-Y193 AromaticContact CD2-CE1 3.91Å; Y43-Y193 HydrophobicContact CD2-CE1 3.91Å; Y43-Y193 AromaticContact CD2-CE2 3.49Å; Y43-Y193 HydrophobicContact CD2-CE2 3.49Å; Y43-Y193 VanDerWaalsContact CD2-CE2 3.49Å; Y43-Y193 AromaticContact CD2-CZ 3.34Å; Y43-Y193 WeakPolarHBondContact CD2-OH 3.28Å; Y43-Y193 HydrophobicContact CE2-CE1 4.05Å; Y43-Y193 AromaticContact CE2-CE2 3.99Å; Y43-Y193 HydrophobicContact CE2-CE2 3.99Å; Y43-Y193 AromaticContact CE2-CZ 3.44Å; Y43-Y193 VanDerWaalsContact CE2-CZ 3.44Å; Y43-Y193 WeakPolarHBondContact CE2-OH 3.36Å; Y43-Y193 HydrophobicContact CG-CE2 4.12Å; Y43-I259 HydrophobicContact CD2-CD1 4.11Å; Y43-I259 HydrophobicContact CE2-CD1 3.84Å
44E96.1Very high95.5Very high59 Ų5949.9 Ų49.928%0.27626%0.256SS..EExtended strand (participates in β ladder)trans-137.1143172.4-75.4167.5-166.700109.2I160 Q187 R188E44-I160 HydrophobicContact CB-CD1 3.86Å; E44-Q187 CarbonylContact O-C 3.59Å; E44-Q187 WeakPolarHBondContact O-CA 3.49Å; E44-R188 HydrophobicContact CB-CB 4Å; E44-R188 VanDerWaalsContact CD-CZ 3.41Å; E44-R188 PolarHBondContact O-N 2.59Å; E44-R188 IonicContact OE1-CZ 3.41Å; E44-R188 IonicContact OE1-NH1 2.76Å; E44-R188 PolarHBondContact OE1-NH1 2.95Å; E44-R188 IonicContact OE1-NH2 3.61Å; E44-R188 IonicContact OE2-CZ 2.85Å; E44-R188 IonicContact OE2-NE 3.44Å; E44-R188 PolarHBondContact OE2-NE 2.83Å; E44-R188 IonicContact OE2-NH1 3.13Å; E44-R188 PolarHBondContact OE2-NH1 2.91Å; E44-R188 VanDerWaalsContact OE2-NH1 3.13Å; E44-R188 IonicContact OE2-NH2 2.67Å; E44-R188 PolarHBondContact OE2-NH2 3.27Å
45V97Very high96.1Very high79 Ų7952.3 Ų52.348%0.47927%0.266SS..EExtended strand (participates in β ladder)trans-125.4122.5173.9-177.10000108P42 T185 Q187P42-V45 HydrophobicContact CB-CG2 3.72Å; P42-V45 HydrophobicContact CG-CG2 3.7Å; V45-T185 HydrophobicContact CG1-CG2 3.58Å; V45-Q187 HydrophobicContact CG1-CG 4.41Å; V45-Q187 HydrophobicContact CG2-CG 4.39Å
46A97.2Very high96.4Very high12 Ų1245.8 Ų45.810%0.09924%0.236CC..EExtended strand (participates in β ladder)trans-116.3109.8173.300000109.7I48 P159 I160 T185 V186A46-I48 HydrophobicContact CB-CD1 4.15Å; A46-I48 PolarHBondContact O-N 3.16Å; A46-P159 HydrophobicContact CB-CG 3.75Å; A46-I160 HydrophobicContact CB-CD1 3.61Å; A46-I160 HydrophobicContact CB-CG1 3.74Å; A46-T185 WeakPolarHBondContact O-CA 3.48Å; A46-V186 HydrophobicContact CB-CB 4.48Å; A46-V186 PolarHBondContact N-O 2.79Å; A46-V186 PolarHBondContact O-N 2.85Å
47E96.9Very high96.6Very high105 Ų10549.2 Ų49.249%0.49125%0.253SS..EExtended strand (participates in β ladder)trans-83.5108.6170.9-67.3-175.5177.400109.8R49 T185E47-R49 PolarHBondContact O-N 3.05Å; E47-R49 IonicContact OE2-CZ 2.74Å; E47-R49 IonicContact OE2-NE 3.25Å; E47-R49 IonicContact OE2-NH2 3.26Å; E47-R49 PolarHBondContact OE2-NH2 3.35Å; E47-T185 HydrophobicContact CG-CG2 4.43Å
48I96.6Very high96.7Very high7 Ų752.6 Ų52.64%0.03626%0.263CS..EExtended strand (participates in β ladder)trans-79.9114-175-49.3-54.9000109.1A46 L73 V156 P159 S182 L183 V184 V186A46-I48 HydrophobicContact CB-CD1 4.15Å; A46-I48 PolarHBondContact O-N 3.16Å; I48-L73 HydrophobicContact CD1-CD1 4.27Å; I48-L73 HydrophobicContact CG1-CD1 3.81Å; I48-L73 HydrophobicContact CG2-CD1 4.14Å; I48-V156 HydrophobicContact CG2-CG1 3.36Å; I48-P159 HydrophobicContact CD1-CG 3.94Å; I48-S182 CarbonylContact O-C 3.6Å; I48-S182 WeakPolarHBondContact O-CA 3.49Å; I48-L183 PolarHBondContact O-N 3.47Å; I48-V184 HydrophobicContact CB-CG1 3.82Å; I48-V184 VanDerWaalsContact CB-O 3.29Å; I48-V184 WeakPolarHBondContact CB-O 3.38Å; I48-V184 HydrophobicContact CG1-CG1 3.69Å; I48-V184 WeakPolarHBondContact CG1-O 3.43Å; I48-V184 HydrophobicContact CG2-CG1 4.45Å; I48-V184 PolarHBondContact N-O 3.18Å; I48-V186 HydrophobicContact CD1-CG2 4.22Å; I48-V186 HydrophobicContact CG1-CG2 4.01Å
49R96.6Very high96.7Very high91 Ų9157 Ų5734%0.34328%0.278SS..  trans-119.4143.7178.7-67.2166.1-173.1-102.8-3.1110.1E47 Q179 A180E47-R49 PolarHBondContact O-N 3.05Å; E47-R49 IonicContact OE2-CZ 2.74Å; E47-R49 IonicContact OE2-NE 3.25Å; E47-R49 IonicContact OE2-NH2 3.26Å; E47-R49 PolarHBondContact OE2-NH2 3.35Å; R49-Q179 PolarHBondContact NH1-O 3.36Å; R49-A180 VanDerWaalsContact CZ-O 3.26Å; R49-A180 PolarHBondContact NH1-O 3.06Å; R49-A180 PolarHBondContact NH2-O 3.23Å; R49-A180 VanDerWaalsContact NH2-O 3.17Å
50P96.5Very high96.8Very high0 Ų052.2 Ų52.20%027%0.265CS..  trans-69.6135.417831.2-36.6000110.6I76 V175 T176 N178 Q179 L183P50-I76 HydrophobicContact CB-CD1 4.13Å; P50-V175 HydrophobicContact CB-CB 4.36Å; P50-V175 HydrophobicContact CB-CG2 3.95Å; P50-V175 HydrophobicContact CG-CB 4.07Å; P50-V175 HydrophobicContact CG-CG2 4.22Å; P50-T176 WeakPolarHBondContact CG-O 3.48Å; P50-N178 PolarHBondContact O-N 3.03Å; P50-Q179 HydrophobicContact CG-CG 3.79Å; P50-L183 HydrophobicContact CB-CD1 4.34Å; P50-L183 HydrophobicContact CG-CD2 4.39Å
51Q95.8Very high96.8Very high101 Ų10153.1 Ų53.147%0.47227%0.268SS..SBendtrans-94.7-14.6174.8-60.6-170.517.400112.8Y153 A177Q51-Y153 HydrophobicContact CB-CD2 3.91Å; Q51-Y153 HydrophobicContact CB-CE2 4.44Å; Q51-Y153 HydrophobicContact CB-CG 3.96Å; Q51-Y153 PolarHBondContact OE1-OH 2.84Å; Q51-A177 VanDerWaalsContact O-CB 3.31Å; Q51-A177 WeakPolarHBondContact O-CB 3.38Å
52V96.8Very high96.8Very high10 Ų1056.6 Ų56.66%0.06128%0.284CS..SBendtrans-127.8152175-66.80000109.7I76 L81 N150 Y153V52-I76 HydrophobicContact CG2-CD1 3.92Å; V52-L81 HydrophobicContact CB-CD1 4.16Å; V52-L81 HydrophobicContact CG1-CD1 4.42Å; V52-L81 HydrophobicContact CG1-CD2 4.47Å; V52-L81 HydrophobicContact CG2-CD1 3.88Å; V52-N150 HydrophobicContact CG1-CB 4.2Å; V52-Y153 HydrophobicContact CG1-CD2 4.39Å
53G95.6Very high96.7Very high41 Ų4159.5 Ų59.542%0.42330%0.296SS..  trans-85.5154.6175.200000112.3V175G53-V175 VanDerWaalsContact CA-O 3.26Å; G53-V175 WeakPolarHBondContact CA-O 3.36Å
54G96.8Very high96.7Very high16 Ų1658 Ų5817%0.16530%0.304CS..EExtended strand (participates in β ladder)trans154.5-178.917500000112.8V175G54-V175 PolarHBondContact N-O 2.81Å; G54-V175 WeakPolarHBondContact O-CG2 3.43Å; G54-V175 PolarHBondContact O-N 3.32Å
55I97.6Very high96.6Very high80 Ų8059 Ų5941%0.4131%0.312SS..EExtended strand (participates in β ladder)trans-86.5134.7178.5-62.2172.7000109.1I57 I76 D77 A173 L174I55-I57 PolarHBondContact O-N 2.94Å; I55-I76 CarbonylContact O-C 3.59Å; I55-I76 WeakPolarHBondContact O-CA 3.48Å; I55-D77 PolarHBondContact O-N 2.99Å; I55-A173 WeakPolarHBondContact CA-O 3.11Å; I55-L174 HydrophobicContact CG1-CD1 4.23Å
56I97.7Very high96.5Very high1 Ų162.3 Ų62.31%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-70.7111.5171-58.7-68.4000108.8Y74 Q75 I76 V169 G172 A173 V175 L183I56-Y74 HydrophobicContact CD1-CD1 4.4Å; I56-Y74 HydrophobicContact CD1-CG 4.4Å; I56-Y74 HydrophobicContact CG2-CD1 3.86Å; I56-Q75 CarbonylContact C-O 3.5Å; I56-I76 HydrophobicContact CD1-CG1 3.71Å; I56-V169 HydrophobicContact CG1-CG2 4.44Å; I56-G172 PolarHBondContact O-N 2.82Å; I56-A173 PolarHBondContact N-O 2.7Å; I56-V175 HydrophobicContact CD1-CG1 4.14Å; I56-V175 HydrophobicContact CD1-CG2 4.04Å; I56-V175 HydrophobicContact CG1-CG1 3.9Å; I56-V175 HydrophobicContact CG1-CG2 4.4Å; I56-L183 HydrophobicContact CD1-CD1 4.48Å
57I97.7Very high96.6Very high83 Ų8362 Ų6243%0.42632%0.317SS..EExtended strand (participates in β ladder)trans-93.6-21.9-179.565172.1000112.7I55 Q75 D77 V171I55-I57 PolarHBondContact O-N 2.94Å; I57-Q75 HydrophobicContact CD1-CB 4.4Å; I57-Q75 HydrophobicContact CD1-CG 3.57Å; I57-Q75 HydrophobicContact CG1-CB 3.85Å; I57-Q75 HydrophobicContact CG1-CG 3.54Å; I57-Q75 WeakPolarHBondContact CG1-O 3.35Å; I57-Q75 PolarHBondContact N-O 2.98Å; I57-D77 HydrophobicContact CG2-CB 3.81Å; I57-V171 WeakPolarHBondContact O-CG1 3.47Å
58K97.3Very high96.6Very high118 Ų11860.5 Ų60.551%0.51331%0.312SS..EExtended strand (participates in β ladder)trans-154.5143.6-179.9-162.1175.3174.3-155.10112N60 Y74 Q75K58-N60 WeakPolarHBondContact CD-OD1 3.36Å; K58-N60 WeakPolarHBondContact CE-OD1 3.4Å; K58-N60 WeakPolarHBondContact CG-OD1 3.32Å; K58-N60 PolarHBondContact NZ-OD1 3.21Å; K58-N60 VanDerWaalsContact NZ-OD1 3.08Å; K58-Y74 WeakPolarHBondContact O-CA 3.49Å; K58-Q75 HydrophobicContact CB-CB 4.04Å; K58-Q75 PolarHBondContact N-O 3.41Å; K58-Q75 PolarHBondContact O-N 3.22Å
59R97.3Very high96.6Very high98 Ų9866.7 Ų66.737%0.3734%0.341SS..EExtended strand (participates in β ladder)trans-104.7125.8163.4-175.5178.265.2-156.17.1108.3F61 E63 Y74 V171R59-F61 HydrophobicContact CG-CD1 3.64Å; R59-F61 HydrophobicContact CG-CE1 3.47Å; R59-F61 VanDerWaalsContact CG-CE1 3.47Å; R59-F61 HydrophobicContact CG-CG 4.5Å; R59-F61 HydrophobicContact CG-CZ 4.2Å; R59-E63 IonicContact CZ-OE1 3.37Å; R59-E63 IonicContact NH1-OE1 3.43Å; R59-E63 PolarHBondContact NH1-OE1 2.89Å; R59-E63 IonicContact NH2-OE1 2.98Å; R59-Y74 HydrophobicContact CB-CD1 4.23Å; R59-Y74 HydrophobicContact CB-CE1 4.25Å; R59-Y74 HydrophobicContact CG-CD1 4.22Å; R59-Y74 HydrophobicContact CG-CE1 3.89Å; R59-V171 HydrophobicContact CB-CG2 4.35Å
60N96.8Very high96.6Very high57 Ų5764.6 Ų64.631%0.30535%0.348SS..  trans-108.516-170.2-73.3-36.5000113.5K58 S72 L73K58-N60 WeakPolarHBondContact CD-OD1 3.36Å; K58-N60 WeakPolarHBondContact CE-OD1 3.4Å; K58-N60 WeakPolarHBondContact CG-OD1 3.32Å; K58-N60 PolarHBondContact NZ-OD1 3.21Å; K58-N60 VanDerWaalsContact NZ-OD1 3.08Å; N60-S72 WeakPolarHBondContact CB-O 3.44Å; N60-S72 PolarHBondContact ND2-OG 2.85Å; N60-L73 PolarHBondContact N-O 2.92Å
61F96.9Very high96.7Very high21 Ų2167.7 Ų67.79%0.09236%0.364CS..SBendtrans-136.9162.9176.272.7-78.2000111.5R59 E63 V67 L73 Y74 S164 V184R59-F61 HydrophobicContact CG-CD1 3.64Å; R59-F61 HydrophobicContact CG-CE1 3.47Å; R59-F61 VanDerWaalsContact CG-CE1 3.47Å; R59-F61 HydrophobicContact CG-CG 4.5Å; R59-F61 HydrophobicContact CG-CZ 4.2Å; F61-E63 HydrophobicContact CE2-CG 3.96Å; F61-E63 HydrophobicContact CZ-CG 4.46Å; F61-V67 HydrophobicContact CB-CG1 4.12Å; F61-L73 HydrophobicContact CB-CD2 4.13Å; F61-L73 HydrophobicContact CD1-CB 3.94Å; F61-L73 HydrophobicContact CD1-CD2 3.96Å; F61-L73 WeakPolarHBondContact CD1-O 3.5Å; F61-L73 HydrophobicContact CE1-CB 4.17Å; F61-L73 HydrophobicContact CG-CD2 4.06Å; F61-Y74 HydrophobicContact CE1-CD2 4.43Å; F61-Y74 HydrophobicContact CE1-CE1 4.07Å; F61-Y74 AromaticContact CE1-CE2 3.76Å; F61-Y74 HydrophobicContact CE1-CE2 3.76Å; F61-Y74 AromaticContact CE1-CZ 3.55Å; F61-Y74 HydrophobicContact CZ-CE2 4.34Å; F61-Y74 AromaticContact CZ-CZ 3.96Å; F61-Y74 WeakPolarHBondContact CZ-OH 3.29Å; F61-S164 WeakPolarHBondContact CD2-OG 3.35Å; F61-V184 HydrophobicContact CE2-CG2 4.05Å; F61-V184 HydrophobicContact CZ-CB 4.1Å; F61-V184 HydrophobicContact CZ-CG1 4.21Å; F61-V184 HydrophobicContact CZ-CG2 3.84Å
62I96.6Very high96.8Very high117 Ų11764.4 Ų64.460%0.635%0.353SS*.  trans-96.7125.9171.4-59.8172.6000107.4G64 D65 S164I62-G64 PolarHBondContact O-N 3.4Å; I62-D65 HydrophobicContact CB-CB 4.13Å; I62-D65 VanDerWaalsContact CB-OD2 3.29Å; I62-D65 WeakPolarHBondContact CB-OD2 3.48Å; I62-D65 HydrophobicContact CG2-CB 4.45Å; I62-D65 WeakPolarHBondContact CG2-OD2 3.38Å; I62-D65 WeakPolarHBondContact O-CB 3.37Å; I62-D65 PolarHBondContact O-N 3.38Å; I62-S164 PolarHBondContact O-OG 2.83Å
63E96Very high96.8Very high75 Ų7564 Ų6435%0.3535%0.35SS..THydrogen-bonded Turntrans-61.9134.9179.3-63.9176.3-159.700110.5R59 F61 D65 S167R59-E63 IonicContact CZ-OE1 3.37Å; R59-E63 IonicContact NH1-OE1 3.43Å; R59-E63 PolarHBondContact NH1-OE1 2.89Å; R59-E63 IonicContact NH2-OE1 2.98Å; F61-E63 HydrophobicContact CE2-CG 3.96Å; F61-E63 HydrophobicContact CZ-CG 4.46Å; E63-D65 VanDerWaalsContact C-N 3.28Å; E63-D65 PolarHBondContact O-N 3.37Å; E63-S167 WeakPolarHBondContact OE1-CB 3.42Å; E63-S167 PolarHBondContact OE2-N 3.25Å
64G94.2Very high96.9Very high46 Ų4662 Ų6247%0.47433%0.33SS..THydrogen-bonded Turntrans86.6-11-176.700000114.4I62 V163 S164I62-G64 PolarHBondContact O-N 3.4Å; G64-V163 VanDerWaalsContact O-CG1 3.24Å; G64-V163 WeakPolarHBondContact O-CG1 3.36Å; G64-S164 WeakPolarHBondContact CA-O 3.25Å; G64-S164 PolarHBondContact N-O 2.85Å; G64-S164 PolarHBondContact N-OG 3.21Å
65D95.4Very high97Very high81 Ų8163.4 Ų63.443%0.43333%0.332SS..SBendtrans-88.3161.6179.4-77.8-6.9000112.3I62 E63 S164I62-D65 HydrophobicContact CB-CB 4.13Å; I62-D65 VanDerWaalsContact CB-OD2 3.29Å; I62-D65 WeakPolarHBondContact CB-OD2 3.48Å; I62-D65 HydrophobicContact CG2-CB 4.45Å; I62-D65 WeakPolarHBondContact CG2-OD2 3.38Å; I62-D65 WeakPolarHBondContact O-CB 3.37Å; I62-D65 PolarHBondContact O-N 3.38Å; E63-D65 VanDerWaalsContact C-N 3.28Å; E63-D65 PolarHBondContact O-N 3.37Å; D65-S164 PolarHBondContact O-N 2.96Å; D65-S164 PolarHBondContact O-OG 2.64Å
66K95.5Very high97Very high148 Ų14859.6 Ų59.664%0.64331%0.312SS*.EExtended strand (participates in β ladder)trans-67.8132.6172.6-175.6180178.7177.60110.5G162K66-G162 CarbonylContact C-O 3.53Å; K66-G162 WeakPolarHBondContact CA-O 3.2Å
67V97.3Very high97Very high6 Ų662.1 Ų62.14%0.03633%0.326CS..EExtended strand (participates in β ladder)trans-120.2146.2170.5-62.10000109.5F61 L73 T161 G162 V186F61-V67 HydrophobicContact CB-CG1 4.12Å; V67-L73 HydrophobicContact CB-CD2 4.27Å; V67-L73 HydrophobicContact CG1-CD2 3.9Å; V67-L73 HydrophobicContact CG2-CD2 4.44Å; V67-T161 WeakPolarHBondContact O-CA 3.44Å; V67-G162 PolarHBondContact N-O 2.94Å; V67-G162 PolarHBondContact O-N 2.91Å; V67-G162 VanDerWaalsContact O-O 3.13Å; V67-V186 HydrophobicContact CG2-CG1 3.64Å; V67-V186 HydrophobicContact CG2-CG2 3.99Å
68N97.7Very high97Very high74 Ų7460.1 Ų60.140%0.39632%0.318SS..  trans-95.9156.9175.3-51.4-68.7000110.6G70 D71N68-G70 PolarHBondContact O-N 2.94Å; N68-D71 WeakPolarHBondContact CA-OD2 3.45Å; N68-D71 WeakPolarHBondContact CB-OD2 3.33Å; N68-D71 PolarHBondContact N-OD2 3.47Å; N68-D71 PolarHBondContact ND2-OD2 2.74Å; N68-D71 VanDerWaalsContact ND2-OD2 3.13Å; N68-D71 WeakPolarHBondContact O-CB 3.49Å; N68-D71 PolarHBondContact O-N 3.44Å; N68-D71 VanDerWaalsContact O-N 3.08Å
69Q97.3Very high97Very high136 Ų13657.2 Ų57.264%0.63632%0.316SS*.THydrogen-bonded Turntrans-55.2128.6168.7-178.3175.326.500110.5P159 T161Q69-P159 WeakPolarHBondContact CG-O 3.36Å; Q69-P159 PolarHBondContact NE2-O 3.31Å; Q69-T161 PolarHBondContact N-OG1 2.94Å
70G96.9Very high97Very high48 Ų4856.6 Ų56.650%0.49533%0.325SS..THydrogen-bonded Turntrans90.4-10.9-177.700000115N68 S72 T157 S158N68-G70 PolarHBondContact O-N 2.94Å; G70-S72 PolarHBondContact O-N 3.47Å; G70-T157 WeakPolarHBondContact O-CG2 3.5Å; G70-S158 PolarHBondContact N-O 2.84Å
71D97.4Very high97Very high65 Ų6554.8 Ų54.835%0.34832%0.315SS..  trans-63.3136.9176.4-73.2-12.8000110.5N68 L73 T157 S158N68-D71 WeakPolarHBondContact CA-OD2 3.45Å; N68-D71 WeakPolarHBondContact CB-OD2 3.33Å; N68-D71 PolarHBondContact N-OD2 3.47Å; N68-D71 PolarHBondContact ND2-OD2 2.74Å; N68-D71 VanDerWaalsContact ND2-OD2 3.13Å; N68-D71 WeakPolarHBondContact O-CB 3.49Å; N68-D71 PolarHBondContact O-N 3.44Å; N68-D71 VanDerWaalsContact O-N 3.08Å; D71-L73 PolarHBondContact O-N 3.47Å; D71-T157 CarbonylContact O-C 3.53Å; D71-T157 WeakPolarHBondContact O-CA 3.44Å; D71-S158 PolarHBondContact O-N 3.08Å
72S97.2Very high97Very high32 Ų3257.3 Ų57.322%0.22433%0.327CS..EExtended strand (participates in β ladder)trans-69.6124.7174.5178.30000110.1N60 G70 N155N60-S72 WeakPolarHBondContact CB-O 3.44Å; N60-S72 PolarHBondContact ND2-OG 2.85Å; G70-S72 PolarHBondContact O-N 3.47Å; S72-N155 WeakPolarHBondContact CB-OD1 3.33Å; S72-N155 PolarHBondContact OG-OD1 2.82Å
73L97.7Very high97.1Very high0 Ų054.5 Ų54.50%032%0.321CS..EExtended strand (participates in β ladder)trans-101.3-47.3177.9-57.7179.8000111.1I48 N60 F61 V67 D71 V156 V184 V186I48-L73 HydrophobicContact CD1-CD1 4.27Å; I48-L73 HydrophobicContact CG1-CD1 3.81Å; I48-L73 HydrophobicContact CG2-CD1 4.14Å; N60-L73 PolarHBondContact N-O 2.92Å; F61-L73 HydrophobicContact CB-CD2 4.13Å; F61-L73 HydrophobicContact CD1-CB 3.94Å; F61-L73 HydrophobicContact CD1-CD2 3.96Å; F61-L73 WeakPolarHBondContact CD1-O 3.5Å; F61-L73 HydrophobicContact CE1-CB 4.17Å; F61-L73 HydrophobicContact CG-CD2 4.06Å; V67-L73 HydrophobicContact CB-CD2 4.27Å; V67-L73 HydrophobicContact CG1-CD2 3.9Å; V67-L73 HydrophobicContact CG2-CD2 4.44Å; D71-L73 PolarHBondContact O-N 3.47Å; L73-V156 WeakPolarHBondContact CA-O 3.42Å; L73-V156 WeakPolarHBondContact CB-O 3.42Å; L73-V156 PolarHBondContact N-O 3.22Å; L73-V184 HydrophobicContact CD1-CG1 4.07Å; L73-V186 HydrophobicContact CD1-CG2 4.21Å
74Y98.1Very high97.2Very high1 Ų155.9 Ų55.90%0.00433%0.328CS..EExtended strand (participates in β ladder)trans-135.5147.5177.4-58.5-88.5000111.2I56 K58 R59 F61 V156 S167 V169 L183 V184I56-Y74 HydrophobicContact CD1-CD1 4.4Å; I56-Y74 HydrophobicContact CD1-CG 4.4Å; I56-Y74 HydrophobicContact CG2-CD1 3.86Å; K58-Y74 WeakPolarHBondContact O-CA 3.49Å; R59-Y74 HydrophobicContact CB-CD1 4.23Å; R59-Y74 HydrophobicContact CB-CE1 4.25Å; R59-Y74 HydrophobicContact CG-CD1 4.22Å; R59-Y74 HydrophobicContact CG-CE1 3.89Å; F61-Y74 HydrophobicContact CE1-CD2 4.43Å; F61-Y74 HydrophobicContact CE1-CE1 4.07Å; F61-Y74 AromaticContact CE1-CE2 3.76Å; F61-Y74 HydrophobicContact CE1-CE2 3.76Å; F61-Y74 AromaticContact CE1-CZ 3.55Å; F61-Y74 HydrophobicContact CZ-CE2 4.34Å; F61-Y74 AromaticContact CZ-CZ 3.96Å; F61-Y74 WeakPolarHBondContact CZ-OH 3.29Å; Y74-V156 HydrophobicContact CD2-CG1 4.49Å; Y74-V156 PolarHBondContact N-O 2.8Å; Y74-V156 PolarHBondContact O-N 2.98Å; Y74-S167 WeakPolarHBondContact OH-CB 3.44Å; Y74-S167 PolarHBondContact OH-OG 3.32Å; Y74-V169 HydrophobicContact CE1-CG2 4.07Å; Y74-L183 HydrophobicContact CD2-CB 4.21Å; Y74-L183 HydrophobicContact CD2-CD1 3.89Å; Y74-L183 HydrophobicContact CE2-CB 3.62Å; Y74-L183 HydrophobicContact CE2-CD1 4.18Å; Y74-L183 HydrophobicContact CG-CD1 4.38Å; Y74-L183 PolarHBondContact OH-O 3.04Å; Y74-V184 HydrophobicContact CE2-CB 4.28Å; Y74-V184 HydrophobicContact CE2-CG1 3.78Å
75Q98Very high97.4Very high45 Ų4554 Ų5421%0.2131%0.307CS..EExtended strand (participates in β ladder)trans-107.6117165.2-175.165.258.300108.3I56 I57 K58 A154I56-Q75 CarbonylContact C-O 3.5Å; I57-Q75 HydrophobicContact CD1-CB 4.4Å; I57-Q75 HydrophobicContact CD1-CG 3.57Å; I57-Q75 HydrophobicContact CG1-CB 3.85Å; I57-Q75 HydrophobicContact CG1-CG 3.54Å; I57-Q75 WeakPolarHBondContact CG1-O 3.35Å; I57-Q75 PolarHBondContact N-O 2.98Å; K58-Q75 HydrophobicContact CB-CB 4.04Å; K58-Q75 PolarHBondContact N-O 3.41Å; K58-Q75 PolarHBondContact O-N 3.22Å; Q75-A154 PolarHBondContact NE2-O 3.14Å
76I97.8Very high97.5Very high0 Ų054.5 Ų54.50%031%0.31CS..EExtended strand (participates in β ladder)trans-83.2144.4165.3-62.6163000107.5P50 V52 I55 I56 P78 A154 V156 V175P50-I76 HydrophobicContact CB-CD1 4.13Å; V52-I76 HydrophobicContact CG2-CD1 3.92Å; I55-I76 CarbonylContact O-C 3.59Å; I55-I76 WeakPolarHBondContact O-CA 3.48Å; I56-I76 HydrophobicContact CD1-CG1 3.71Å; I76-P78 WeakPolarHBondContact O-CD 3.44Å; I76-A154 HydrophobicContact CB-CB 4.45Å; I76-A154 PolarHBondContact N-O 2.8Å; I76-V156 HydrophobicContact CD1-CG2 3.68Å; I76-V156 HydrophobicContact CG1-CG2 4.2Å; I76-V175 HydrophobicContact CD1-CG2 4.09Å; I76-V175 HydrophobicContact CG1-CG2 4.19Å
77D97.9Very high97.7Very high53 Ų5351.2 Ų51.228%0.28331%0.306SS..  trans-52.2111176.5-178.36.9000110.6I55 I57 A79I55-D77 PolarHBondContact O-N 2.99Å; I57-D77 HydrophobicContact CG2-CB 3.81Å; D77-A79 VanDerWaalsContact C-N 3.28Å; D77-A79 PolarHBondContact O-N 2.89Å; D77-A79 VanDerWaalsContact OD1-CB 3.31Å; D77-A79 WeakPolarHBondContact OD1-CB 3.49Å; D77-A79 PolarHBondContact OD1-N 2.79Å
78P97.3Very high97.7Very high41 Ų4151.5 Ų51.527%0.26631%0.309SS..  trans-80.9-8.5-176.534.3-35.2000112.3I76 L81 Q82 L151 A154I76-P78 WeakPolarHBondContact O-CD 3.44Å; P78-L81 PolarHBondContact O-N 2.95Å; P78-L81 VanDerWaalsContact O-N 3.13Å; P78-Q82 WeakPolarHBondContact O-CB 3.49Å; P78-Q82 PolarHBondContact O-N 3.3Å; P78-L151 HydrophobicContact CB-CD1 3.71Å; P78-A154 HydrophobicContact CB-CB 4.23Å
79A97.6Very high97.8Very high58 Ų5852.9 Ų52.948%0.47931%0.311SS..Hα-helixtrans-57.9-45.3-169.400000113.9D77 L81 Q82 A83D77-A79 VanDerWaalsContact C-N 3.28Å; D77-A79 PolarHBondContact O-N 2.89Å; D77-A79 VanDerWaalsContact OD1-CB 3.31Å; D77-A79 WeakPolarHBondContact OD1-CB 3.49Å; D77-A79 PolarHBondContact OD1-N 2.79Å; A79-L81 PolarHBondContact O-N 3.01Å; A79-Q82 PolarHBondContact O-N 3.04Å; A79-A83 PolarHBondContact O-N 3.28Å
80P96.5Very high97.9Very high85 Ų8548.4 Ų48.455%0.55230%0.301SS*.Hα-helixtrans-63.1-41.3175.6-22.635.1000112.8A83 E84P80-A83 WeakPolarHBondContact O-CB 3.35Å; P80-A83 PolarHBondContact O-N 2.88Å; P80-E84 PolarHBondContact O-N 3.19Å
81L97.4Very high97.9Very high19 Ų1949.2 Ų49.210%0.09930%0.3CS..Hα-helixtrans-69.1-35.7-179.6-60.8169.5000111.5V52 P78 A79 E84 L85 N150 L151 A154V52-L81 HydrophobicContact CB-CD1 4.16Å; V52-L81 HydrophobicContact CG1-CD1 4.42Å; V52-L81 HydrophobicContact CG1-CD2 4.47Å; V52-L81 HydrophobicContact CG2-CD1 3.88Å; P78-L81 PolarHBondContact O-N 2.95Å; P78-L81 VanDerWaalsContact O-N 3.13Å; A79-L81 PolarHBondContact O-N 3.01Å; L81-E84 PolarHBondContact O-N 3.29Å; L81-L85 PolarHBondContact O-N 3.38Å; L81-N150 HydrophobicContact CD2-CB 4.13Å; L81-L151 HydrophobicContact CB-CB 4.41Å; L81-L151 HydrophobicContact CB-CD1 3.92Å; L81-A154 HydrophobicContact CD1-CB 3.75Å
82Q97.9Very high98Very high73 Ų7347.6 Ų47.634%0.34129%0.291SS..Hα-helixtrans-66.9-38.4174.6-175.659.475.200111.4P78 A79 L85 N86 L151P78-Q82 WeakPolarHBondContact O-CB 3.49Å; P78-Q82 PolarHBondContact O-N 3.3Å; A79-Q82 PolarHBondContact O-N 3.04Å; Q82-L85 PolarHBondContact O-N 3.4Å; Q82-N86 PolarHBondContact NE2-OD1 3Å; Q82-N86 VanDerWaalsContact NE2-OD1 3.14Å; Q82-N86 WeakPolarHBondContact O-CB 3.41Å; Q82-N86 PolarHBondContact O-N 2.88Å; Q82-N86 PolarHBondContact O-ND2 3.45Å; Q82-N86 PolarHBondContact O-OD1 3.24Å; Q82-L151 HydrophobicContact CB-CD1 4.33Å
83A98.2Very high98.1Very high58 Ų5848.5 Ų48.548%0.47930%0.3SS..Hα-helixtrans-64.8-41.5174.100000111.6A79 P80 N86 S87A79-A83 PolarHBondContact O-N 3.28Å; P80-A83 WeakPolarHBondContact O-CB 3.35Å; P80-A83 PolarHBondContact O-N 2.88Å; A83-N86 PolarHBondContact O-N 3.41Å; A83-S87 PolarHBondContact O-N 3.44Å
84E97.7Very high98.1Very high104 Ų10456 Ų5649%0.48633%0.333SS..Hα-helixtrans-62.7-44.9174.9-173.5170.9-164.600112.1P80 L81 N86 S87 A88 A147P80-E84 PolarHBondContact O-N 3.19Å; L81-E84 PolarHBondContact O-N 3.29Å; E84-N86 VanDerWaalsContact C-N 3.3Å; E84-N86 PolarHBondContact O-N 2.9Å; E84-S87 WeakPolarHBondContact O-CB 3.47Å; E84-S87 PolarHBondContact O-N 3.33Å; E84-A88 PolarHBondContact O-N 2.92Å; E84-A147 HydrophobicContact CG-CB 4.46Å
85L98.5Very high98.1Very high8 Ų856.5 Ų56.54%0.04234%0.337CS..Hα-helixtrans-59.3-41.4173.6177.358.5000112L81 Q82 A88 K89 V144 A147 T148 L151L81-L85 PolarHBondContact O-N 3.38Å; Q82-L85 PolarHBondContact O-N 3.4Å; L85-A88 PolarHBondContact O-N 2.68Å; L85-K89 HydrophobicContact CD1-CD 4.43Å; L85-K89 HydrophobicContact CD1-CG 4.35Å; L85-K89 HydrophobicContact CG-CD 4.33Å; L85-K89 WeakPolarHBondContact O-CG 3.43Å; L85-K89 PolarHBondContact O-N 2.9Å; L85-V144 HydrophobicContact CD1-CG1 4.12Å; L85-A147 HydrophobicContact CB-CB 4.1Å; L85-A147 HydrophobicContact CD1-CB 3.99Å; L85-T148 WeakPolarHBondContact CD1-OG1 3.45Å; L85-L151 HydrophobicContact CD2-CD2 3.58Å
86N98.6Very high98.2Very high90 Ų9058.4 Ų58.448%0.48135%0.349SS..Hα-helixtrans-65.1-39.7177.1-69.2-17.3000111.6Q82 A83 E84 K89 G90Q82-N86 PolarHBondContact NE2-OD1 3Å; Q82-N86 VanDerWaalsContact NE2-OD1 3.14Å; Q82-N86 WeakPolarHBondContact O-CB 3.41Å; Q82-N86 PolarHBondContact O-N 2.88Å; Q82-N86 PolarHBondContact O-ND2 3.45Å; Q82-N86 PolarHBondContact O-OD1 3.24Å; A83-N86 PolarHBondContact O-N 3.41Å; E84-N86 VanDerWaalsContact C-N 3.3Å; E84-N86 PolarHBondContact O-N 2.9Å; N86-K89 PolarHBondContact O-N 3.49Å; N86-G90 PolarHBondContact O-N 3.46Å
87S98.5Very high98.2Very high80 Ų8061.8 Ų61.856%0.55937%0.372SS*.Hα-helixtrans-62.5-44.4174.2-174.80000112.3A83 E84 K89 G90 S91A83-S87 PolarHBondContact O-N 3.44Å; E84-S87 WeakPolarHBondContact O-CB 3.47Å; E84-S87 PolarHBondContact O-N 3.33Å; S87-K89 PolarHBondContact O-N 3.36Å; S87-G90 PolarHBondContact O-N 3.48Å; S87-S91 PolarHBondContact O-N 3Å; S87-S91 PolarHBondContact O-OG 2.97Å
88A98.6Very high98.2Very high12 Ų1262.6 Ų62.610%0.09938%0.379CS..Hα-helixtrans-62.3-43176.100000111.8E84 L85 G90 S91 L92 V144 A147E84-A88 PolarHBondContact O-N 2.92Å; L85-A88 PolarHBondContact O-N 2.68Å; A88-G90 VanDerWaalsContact C-N 3.34Å; A88-G90 PolarHBondContact O-N 3.43Å; A88-S91 WeakPolarHBondContact O-CB 3.33Å; A88-S91 PolarHBondContact O-N 3.35Å; A88-L92 PolarHBondContact O-N 3.21Å; A88-V144 VanDerWaalsContact C-CG2 3.46Å; A88-V144 HydrophobicContact CB-CG2 3.86Å; A88-V144 WeakPolarHBondContact O-CG2 3.33Å; A88-A147 HydrophobicContact CB-CB 4.21Å
89K98.7Very high98.3Very high102 Ų10261.2 Ų61.244%0.44337%0.371SS..Hα-helixtrans-61.7-40.6174.8-74.6175180175.70112.1L85 N86 S87 L92 A93 V144L85-K89 HydrophobicContact CD1-CD 4.43Å; L85-K89 HydrophobicContact CD1-CG 4.35Å; L85-K89 HydrophobicContact CG-CD 4.33Å; L85-K89 WeakPolarHBondContact O-CG 3.43Å; L85-K89 PolarHBondContact O-N 2.9Å; N86-K89 PolarHBondContact O-N 3.49Å; S87-K89 PolarHBondContact O-N 3.36Å; K89-L92 PolarHBondContact O-N 3.29Å; K89-A93 PolarHBondContact O-N 2.93Å; K89-V144 HydrophobicContact CG-CG1 4.21Å; K89-V144 HydrophobicContact CG-CG2 4.21Å
90G98.6Very high98.3Very high42 Ų4261.5 Ų61.543%0.43337%0.369SS..Hα-helixtrans-61.3-42.5173.700000112.5N86 S87 A88 A93 K94N86-G90 PolarHBondContact O-N 3.46Å; S87-G90 PolarHBondContact O-N 3.48Å; A88-G90 VanDerWaalsContact C-N 3.34Å; A88-G90 PolarHBondContact O-N 3.43Å; G90-A93 PolarHBondContact O-N 3.32Å; G90-K94 PolarHBondContact O-N 3.15Å
91S98.5Very high98.4Very high66 Ų6662.4 Ų62.446%0.46237%0.37SS..Hα-helixtrans-64.5-39.6176-61.60000112.4S87 A88 K94 A95S87-S91 PolarHBondContact O-N 3Å; S87-S91 PolarHBondContact O-OG 2.97Å; A88-S91 WeakPolarHBondContact O-CB 3.33Å; A88-S91 PolarHBondContact O-N 3.35Å; S91-K94 PolarHBondContact O-N 2.9Å; S91-A95 PolarHBondContact O-N 2.91Å
92L98.7Very high98.4Very high31 Ų3162.1 Ų62.116%0.16237%0.37CS..Hα-helixtrans-62.5-44.7172.8176.759.7000112A88 K89 K94 A95 L96 V137 A140 K141 V144A88-L92 PolarHBondContact O-N 3.21Å; K89-L92 PolarHBondContact O-N 3.29Å; L92-K94 VanDerWaalsContact C-N 3.3Å; L92-K94 PolarHBondContact O-N 2.99Å; L92-A95 PolarHBondContact O-N 2.83Å; L92-L96 HydrophobicContact CD1-CD1 4.06Å; L92-L96 HydrophobicContact CD1-CG 4Å; L92-L96 HydrophobicContact CG-CD1 3.94Å; L92-L96 HydrophobicContact CG-CG 4.36Å; L92-L96 WeakPolarHBondContact O-CB 3.4Å; L92-L96 VanDerWaalsContact O-CG 3.29Å; L92-L96 WeakPolarHBondContact O-CG 3.36Å; L92-L96 PolarHBondContact O-N 3.12Å; L92-V137 HydrophobicContact CD1-CG1 4.36Å; L92-A140 HydrophobicContact CB-CB 4.08Å; L92-A140 HydrophobicContact CD1-CB 3.96Å; L92-K141 HydrophobicContact CD1-CG 3.68Å; L92-K141 HydrophobicContact CD2-CG 4.29Å; L92-V144 HydrophobicContact CB-CG2 4Å; L92-V144 HydrophobicContact CD2-CG2 3.98Å
93A98.7Very high98.5Very high51 Ų5164.8 Ų64.842%0.42138%0.377SS..Hα-helixtrans-60.1-40176.400000112.1K89 G90 S97K89-A93 PolarHBondContact O-N 2.93Å; G90-A93 PolarHBondContact O-N 3.32Å; A93-S97 WeakPolarHBondContact O-CB 3.48Å; A93-S97 PolarHBondContact O-N 3.33Å; A93-S97 PolarHBondContact O-OG 3.21Å
94K98.5Very high98.5Very high156 Ų15666.1 Ų66.168%0.67838%0.375SS*.Hα-helixtrans-62.6-48.6173.2-177.6-178.9176.9-177.10111.6G90 S91 L92 L96 S97 T98G90-K94 PolarHBondContact O-N 3.15Å; S91-K94 PolarHBondContact O-N 2.9Å; L92-K94 VanDerWaalsContact C-N 3.3Å; L92-K94 PolarHBondContact O-N 2.99Å; K94-L96 PolarHBondContact O-N 3.13Å; K94-S97 WeakPolarHBondContact O-CB 3.39Å; K94-S97 PolarHBondContact O-N 3.38Å; K94-T98 PolarHBondContact O-N 3.06Å; K94-T98 PolarHBondContact O-OG1 2.88Å
95A98.6Very high98.4Very high13 Ų1363.5 Ų63.511%0.10737%0.366CS..Hα-helixtrans-61.6-43.2179.600000112.2S91 L92 S97 T98 A99 V137 A140S91-A95 PolarHBondContact O-N 2.91Å; L92-A95 PolarHBondContact O-N 2.83Å; A95-S97 VanDerWaalsContact C-N 3.31Å; A95-S97 PolarHBondContact O-N 3.43Å; A95-T98 PolarHBondContact O-N 3.47Å; A95-A99 WeakPolarHBondContact O-CB 3.37Å; A95-A99 PolarHBondContact O-N 3.22Å; A95-V137 HydrophobicContact CB-CG2 3.99Å; A95-V137 WeakPolarHBondContact O-CG2 3.07Å; A95-A140 HydrophobicContact CB-CB 4Å
96L98.6Very high98.4Very high85 Ų8564.9 Ų64.945%0.44537%0.372SS..Hα-helixtrans-60.6-40.5175.4-72.6169.1000111.9L92 K94 A99 S100 V137L92-L96 HydrophobicContact CD1-CD1 4.06Å; L92-L96 HydrophobicContact CD1-CG 4Å; L92-L96 HydrophobicContact CG-CD1 3.94Å; L92-L96 HydrophobicContact CG-CG 4.36Å; L92-L96 WeakPolarHBondContact O-CB 3.4Å; L92-L96 VanDerWaalsContact O-CG 3.29Å; L92-L96 WeakPolarHBondContact O-CG 3.36Å; L92-L96 PolarHBondContact O-N 3.12Å; K94-L96 PolarHBondContact O-N 3.13Å; L96-A99 PolarHBondContact O-N 3.03Å; L96-S100 WeakPolarHBondContact O-CB 3.46Å; L96-S100 PolarHBondContact O-N 2.94Å; L96-V137 HydrophobicContact CD2-CG1 3.71Å; L96-V137 HydrophobicContact CD2-CG2 4.04Å; L96-V137 HydrophobicContact CG-CG1 4.46Å; L96-V137 HydrophobicContact CG-CG2 4.41Å
97S98.5Very high98.3Very high70 Ų7064.6 Ų64.649%0.4937%0.37SS..Hα-helixtrans-65.3-43.9176.8-57.90000111.7A93 K94 A95 S100 N101A93-S97 WeakPolarHBondContact O-CB 3.48Å; A93-S97 PolarHBondContact O-N 3.33Å; A93-S97 PolarHBondContact O-OG 3.21Å; K94-S97 WeakPolarHBondContact O-CB 3.39Å; K94-S97 PolarHBondContact O-N 3.38Å; A95-S97 VanDerWaalsContact C-N 3.31Å; A95-S97 PolarHBondContact O-N 3.43Å; S97-S100 WeakPolarHBondContact O-CB 3.46Å; S97-S100 PolarHBondContact O-N 2.99Å; S97-N101 PolarHBondContact O-N 3.1Å
98T98.4Very high98.2Very high71 Ų7167.8 Ų67.844%0.43637%0.37SS..Hα-helixtrans-61.8-45.4175.1-59.20000111.8K94 A95 S100 N101 A102 A133K94-T98 PolarHBondContact O-N 3.06Å; K94-T98 PolarHBondContact O-OG1 2.88Å; A95-T98 PolarHBondContact O-N 3.47Å; T98-S100 PolarHBondContact O-N 2.97Å; T98-N101 PolarHBondContact O-N 3.28Å; T98-A102 WeakPolarHBondContact O-CB 3.41Å; T98-A102 PolarHBondContact O-N 2.92Å; T98-A133 HydrophobicContact CG2-CB 4.19Å
99A98.5Very high98Very high11 Ų1169.2 Ų69.29%0.09138%0.375CS..Hα-helixtrans-64.2-38.8177.400000112.4A95 L96 A102 R103 A133 V137A95-A99 WeakPolarHBondContact O-CB 3.37Å; A95-A99 PolarHBondContact O-N 3.22Å; L96-A99 PolarHBondContact O-N 3.03Å; A99-A102 PolarHBondContact O-N 3.46Å; A99-R103 VanDerWaalsContact O-CB 3.25Å; A99-R103 WeakPolarHBondContact O-CB 3.39Å; A99-R103 PolarHBondContact O-N 3.31Å; A99-A133 HydrophobicContact CB-CB 3.92Å; A99-V137 HydrophobicContact CB-CG2 3.68Å
100S98.5Very high97.8Very high64 Ų6465.4 Ų65.445%0.44836%0.363SS..Hα-helixtrans-59.5-48.2173.5-173.50000111.5L96 S97 T98 R103 I104L96-S100 WeakPolarHBondContact O-CB 3.46Å; L96-S100 PolarHBondContact O-N 2.94Å; S97-S100 WeakPolarHBondContact O-CB 3.46Å; S97-S100 PolarHBondContact O-N 2.99Å; T98-S100 PolarHBondContact O-N 2.97Å; S100-R103 PolarHBondContact O-N 3.46Å; S100-I104 WeakPolarHBondContact O-CG1 3.41Å; S100-I104 PolarHBondContact O-N 2.97Å
101N98.2Very high97.6Very high105 Ų10566.9 Ų66.956%0.56137%0.366SS*.Hα-helixtrans-62.5-45.3176.7-74-20.4000112.4S97 T98 R103 I104 T105S97-N101 PolarHBondContact O-N 3.1Å; T98-N101 PolarHBondContact O-N 3.28Å; N101-R103 VanDerWaalsContact C-N 3.29Å; N101-R103 PolarHBondContact O-N 3.13Å; N101-I104 PolarHBondContact O-N 3.3Å; N101-T105 PolarHBondContact O-N 3.39Å; N101-T105 PolarHBondContact O-OG1 2.92Å
102A98.2Very high97.5Very high12 Ų1266.5 Ų66.510%0.09936%0.359CS..Hα-helixtrans-61.3-38.717700000111.7T98 A99 T105 F106 L130 A133T98-A102 WeakPolarHBondContact O-CB 3.41Å; T98-A102 PolarHBondContact O-N 2.92Å; A99-A102 PolarHBondContact O-N 3.46Å; A102-T105 PolarHBondContact O-N 3.35Å; A102-F106 WeakPolarHBondContact O-CB 3.5Å; A102-F106 PolarHBondContact O-N 3.35Å; A102-L130 HydrophobicContact CB-CB 4.44Å; A102-L130 HydrophobicContact CB-CD1 4.35Å; A102-A133 HydrophobicContact CB-CB 4Å
103R98.3Very high97.2Very high130 Ų13067.5 Ų67.549%0.49136%0.364SS..Hα-helixtrans-65.2-42.6176.7-174.4173.1-70-163.5-2.4112.2A99 S100 N101 T105 F106 N107 L130 E134A99-R103 VanDerWaalsContact O-CB 3.25Å; A99-R103 WeakPolarHBondContact O-CB 3.39Å; A99-R103 PolarHBondContact O-N 3.31Å; S100-R103 PolarHBondContact O-N 3.46Å; N101-R103 VanDerWaalsContact C-N 3.29Å; N101-R103 PolarHBondContact O-N 3.13Å; R103-T105 VanDerWaalsContact C-N 3.34Å; R103-F106 PolarHBondContact O-N 3.41Å; R103-N107 WeakPolarHBondContact O-CB 3.44Å; R103-N107 PolarHBondContact O-N 3.21Å; R103-N107 PolarHBondContact O-ND2 3.47Å; R103-L130 HydrophobicContact CB-CD1 3.79Å; R103-L130 HydrophobicContact CG-CD1 4.45Å; R103-E134 IonicContact CZ-OE1 3.62Å; R103-E134 IonicContact NE-OE1 3.76Å; R103-E134 IonicContact NH2-OE1 2.68Å; R103-E134 PolarHBondContact NH2-OE1 3.34Å
104I98.2Very high96.8Very high85 Ų8573.6 Ų73.644%0.43638%0.381SS..Hα-helixtrans-60.1-45.9174.2-67.7165.8000110.3S100 N101 N107 R108S100-I104 WeakPolarHBondContact O-CG1 3.41Å; S100-I104 PolarHBondContact O-N 2.97Å; N101-I104 PolarHBondContact O-N 3.3Å; I104-N107 PolarHBondContact O-N 2.97Å; I104-R108 PolarHBondContact O-N 3.04Å
105T97.2Very high96.5Very high49 Ų4969.8 Ų69.830%0.30137%0.371SS..Hα-helixtrans-63.4-47.2178.5-61.20000111.9N101 A102 R103 N107 R108 Q109 A126N101-T105 PolarHBondContact O-N 3.39Å; N101-T105 PolarHBondContact O-OG1 2.92Å; A102-T105 PolarHBondContact O-N 3.35Å; R103-T105 VanDerWaalsContact C-N 3.34Å; T105-N107 PolarHBondContact O-N 3.03Å; T105-R108 WeakPolarHBondContact O-CB 3.32Å; T105-R108 PolarHBondContact O-N 3Å; T105-Q109 HydrophobicContact CG2-CG 4.43Å; T105-Q109 WeakPolarHBondContact O-CG 3.48Å; T105-Q109 PolarHBondContact O-N 3.17Å; T105-A126 HydrophobicContact CG2-CB 4.29Å
106F97.7Very high96Very high37 Ų3776.1 Ų76.116%0.16240%0.403CS..Hα-helixtrans-57.7-48175.6170.5-104.3000111.9A102 R103 R108 Q109 A110 Y123 R127 L130A102-F106 WeakPolarHBondContact O-CB 3.5Å; A102-F106 PolarHBondContact O-N 3.35Å; R103-F106 PolarHBondContact O-N 3.41Å; F106-R108 VanDerWaalsContact C-N 3.27Å; F106-R108 PolarHBondContact O-N 3.3Å; F106-Q109 PolarHBondContact O-N 3.46Å; F106-A110 VanDerWaalsContact O-CB 3.28Å; F106-A110 WeakPolarHBondContact O-CB 3.17Å; F106-A110 PolarHBondContact O-N 3.24Å; F106-Y123 HydrophobicContact CD2-CE2 4.38Å; F106-Y123 HydrophobicContact CE2-CD2 4.37Å; F106-Y123 AromaticContact CE2-CE2 3.59Å; F106-Y123 HydrophobicContact CE2-CE2 3.59Å; F106-Y123 AromaticContact CE2-CZ 3.85Å; F106-Y123 HydrophobicContact CZ-CE2 4.17Å; F106-R127 HydrophobicContact CD2-CB 3.93Å; F106-R127 HydrophobicContact CD2-CG 4.44Å; F106-R127 HydrophobicContact CE2-CB 3.79Å; F106-R127 HydrophobicContact CE2-CG 3.98Å; F106-L130 HydrophobicContact CB-CB 4.28Å; F106-L130 HydrophobicContact CB-CD2 3.92Å; F106-L130 HydrophobicContact CD1-CD2 3.56Å; F106-L130 HydrophobicContact CE1-CD2 4.22Å; F106-L130 HydrophobicContact CG-CD2 3.74Å
107N96.8Very high95.6Very high85 Ų8580.8 Ų80.846%0.45542%0.416SS..Hα-helixtrans-60.2-37.9178.7-72.2-17.3000112.2R103 I104 T105 S111R103-N107 WeakPolarHBondContact O-CB 3.44Å; R103-N107 PolarHBondContact O-N 3.21Å; R103-N107 PolarHBondContact O-ND2 3.47Å; I104-N107 PolarHBondContact O-N 2.97Å; T105-N107 PolarHBondContact O-N 3.03Å; N107-S111 WeakPolarHBondContact O-CB 3.31Å; N107-S111 PolarHBondContact O-N 2.98Å; N107-S111 VanDerWaalsContact O-N 3.16Å; N107-S111 PolarHBondContact O-OG 3.4Å
108R96.5Very high95.2Very high147 Ų14778.9 Ų78.956%0.55540%0.401SS*.Hα-helixtrans-65.4-50.4174.7-171.8-176.8-65.2141.70111.2I104 T105 F106 A110 S111 L112I104-R108 PolarHBondContact O-N 3.04Å; T105-R108 WeakPolarHBondContact O-CB 3.32Å; T105-R108 PolarHBondContact O-N 3Å; F106-R108 VanDerWaalsContact C-N 3.27Å; F106-R108 PolarHBondContact O-N 3.3Å; R108-A110 PolarHBondContact O-N 3.39Å; R108-S111 PolarHBondContact O-N 3.49Å; R108-L112 HydrophobicContact CG-CD1 4.17Å; R108-L112 WeakPolarHBondContact O-CG 3.31Å; R108-L112 PolarHBondContact O-N 3.39Å
109Q95Very high95Very high41 Ų4178 Ų7819%0.19240%0.398CS..Hα-helixtrans-62.9-40.9179.4-66.3-62.9-8.200112.1T105 F106 S111 L112 L113 V118 A126T105-Q109 HydrophobicContact CG2-CG 4.43Å; T105-Q109 WeakPolarHBondContact O-CG 3.48Å; T105-Q109 PolarHBondContact O-N 3.17Å; F106-Q109 PolarHBondContact O-N 3.46Å; Q109-S111 VanDerWaalsContact C-N 3.27Å; Q109-S111 PolarHBondContact O-N 2.96Å; Q109-L112 PolarHBondContact O-N 2.91Å; Q109-L113 WeakPolarHBondContact O-CB 3.38Å; Q109-L113 PolarHBondContact O-N 3.15Å; Q109-V118 VanDerWaalsContact OE1-CG1 3.28Å; Q109-A126 HydrophobicContact CB-CB 4.17Å; Q109-A126 HydrophobicContact CG-CB 3.84Å
110A94.4Very high94.7Very high23 Ų2386.6 Ų86.619%0.1943%0.428CS..Hα-helixtrans-61.1-35.3175.400000112.6F106 R108 Y123F106-A110 VanDerWaalsContact O-CB 3.28Å; F106-A110 WeakPolarHBondContact O-CB 3.17Å; F106-A110 PolarHBondContact O-N 3.24Å; R108-A110 PolarHBondContact O-N 3.39Å; A110-Y123 HydrophobicContact CB-CD2 4.25Å; A110-Y123 HydrophobicContact CB-CE2 3.83Å
111S94.5Very high94.6Very high72 Ų7289.7 Ų89.750%0.50344%0.436SS..Hα-helixtrans-73.2-39.2176.8-58.40000112N107 R108 Q109N107-S111 WeakPolarHBondContact O-CB 3.31Å; N107-S111 PolarHBondContact O-N 2.98Å; N107-S111 VanDerWaalsContact O-N 3.16Å; N107-S111 PolarHBondContact O-OG 3.4Å; R108-S111 PolarHBondContact O-N 3.49Å; Q109-S111 VanDerWaalsContact C-N 3.27Å; Q109-S111 PolarHBondContact O-N 2.96Å
112L94.6Very high94.4Very high59 Ų5988.3 Ų88.331%0.30943%0.428SS..Hα-helixtrans-74.4-28.1179.1-66.4173.1000113.4R108 Q109 K114 T115 N116 Y117 V118R108-L112 HydrophobicContact CG-CD1 4.17Å; R108-L112 WeakPolarHBondContact O-CG 3.31Å; R108-L112 PolarHBondContact O-N 3.39Å; Q109-L112 PolarHBondContact O-N 2.91Å; L112-K114 VanDerWaalsContact C-N 3.31Å; L112-K114 PolarHBondContact O-N 3.04Å; L112-T115 PolarHBondContact O-N 2.71Å; L112-T115 PolarHBondContact O-OG1 3.27Å; L112-T115 VanDerWaalsContact O-OG1 3.08Å; L112-N116 PolarHBondContact O-N 2.93Å; L112-Y117 HydrophobicContact CD2-CD2 4.43Å; L112-Y117 PolarHBondContact O-N 3.41Å; L112-V118 HydrophobicContact CB-CB 4.25Å; L112-V118 HydrophobicContact CB-CG1 3.66Å; L112-V118 HydrophobicContact CB-CG2 3.63Å; L112-V118 HydrophobicContact CD1-CG1 3.69Å; L112-V118 HydrophobicContact CG-CG1 4.31Å
113L92.9Very high94.3Very high51 Ų5190.1 Ų90.127%0.26743%0.433SS..Hα-helixtrans-66.1-35.8176.5-175.367.8000111.2Q109 T115 N116 V118 Y123Q109-L113 WeakPolarHBondContact O-CB 3.38Å; Q109-L113 PolarHBondContact O-N 3.15Å; L113-T115 PolarHBondContact O-N 3.14Å; L113-N116 PolarHBondContact O-N 2.95Å; L113-V118 HydrophobicContact CB-CG2 4.11Å; L113-Y123 HydrophobicContact CD2-CD1 4Å; L113-Y123 HydrophobicContact CD2-CD2 3.9Å; L113-Y123 HydrophobicContact CD2-CE2 4.42Å; L113-Y123 HydrophobicContact CD2-CG 3.66Å
114K90.4Very high94.2Very high179 Ų17986.5 Ų86.578%0.77842%0.423SS*.THydrogen-bonded Turntrans-60.4-28.4177.4-68.3176.2-177.9-179.10113L112L112-K114 VanDerWaalsContact C-N 3.31Å; L112-K114 PolarHBondContact O-N 3.04Å
115T93Very high94.1Very high77 Ų7785 Ų8547%0.47242%0.418SS..THydrogen-bonded Turntrans-103.29.2-179.944.20000112.6L112 L113 Y117L112-T115 PolarHBondContact O-N 2.71Å; L112-T115 PolarHBondContact O-OG1 3.27Å; L112-T115 VanDerWaalsContact O-OG1 3.08Å; L113-T115 PolarHBondContact O-N 3.14Å; T115-Y117 PolarHBondContact O-N 3.47Å; T115-Y117 WeakPolarHBondContact OG1-CD2 3.49Å
116N87.5Confident94.1Very high145 Ų14582.9 Ų82.978%0.77541%0.405SS*.THydrogen-bonded Turntrans56.926.9-178.7-59.2-57.4000114.8L112 L113L112-N116 PolarHBondContact O-N 2.93Å; L113-N116 PolarHBondContact O-N 2.95Å
117Y91.3Very high94.1Very high183 Ų18387.1 Ų87.172%0.71842%0.42SS*.  trans-86.2-12.5178.3-74.7-58.4000114.4L112 T115L112-Y117 HydrophobicContact CD2-CD2 4.43Å; L112-Y117 PolarHBondContact O-N 3.41Å; T115-Y117 PolarHBondContact O-N 3.47Å; T115-Y117 WeakPolarHBondContact OG1-CD2 3.49Å
118V89.8Confident94.2Very high31 Ų3187.1 Ų87.119%0.18842%0.423CS..SBendtrans-132.5154.4-179.9-64.30000110.4Q109 L112 L113Q109-V118 VanDerWaalsContact OE1-CG1 3.28Å; L112-V118 HydrophobicContact CB-CB 4.25Å; L112-V118 HydrophobicContact CB-CG1 3.66Å; L112-V118 HydrophobicContact CB-CG2 3.63Å; L112-V118 HydrophobicContact CD1-CG1 3.69Å; L112-V118 HydrophobicContact CG-CG1 4.31Å; L113-V118 HydrophobicContact CB-CG2 4.11Å
119S93.5Very high94.3Very high53 Ų5384.6 Ų84.637%0.37142%0.418SS..  trans-73.3154.4179.9780000111.3Q121 D122 Y123S119-Q121 PolarHBondContact O-N 3.14Å; S119-Q121 PolarHBondContact OG-N 2.99Å; S119-D122 WeakPolarHBondContact CB-OD2 3.4Å; S119-D122 PolarHBondContact N-OD2 2.94Å; S119-D122 PolarHBondContact O-N 2.94Å; S119-D122 PolarHBondContact OG-N 3.38Å; S119-D122 VanDerWaalsContact OG-N 3.1Å; S119-D122 PolarHBondContact OG-OD2 2.94Å; S119-Y123 PolarHBondContact O-N 3.42Å
120R92.6Very high94.4Very high190 Ų19083.3 Ų83.372%0.71741%0.412SS*.Hα-helixtrans-58.6-33.3171.2-176.6172.7177.5165.40.3112Y123 D124R120-Y123 PolarHBondContact O-N 3.17Å; R120-D124 IonicContact NE-OD2 3.79Å; R120-D124 WeakPolarHBondContact O-CB 3.34Å; R120-D124 PolarHBondContact O-N 2.98Å
121Q95.3Very high94.6Very high130 Ų13086.2 Ų86.261%0.60743%0.425SS*.Hα-helixtrans-62.4-42.2176.5-179.663.125.400112.2S119 Y123 D124 T125S119-Q121 PolarHBondContact O-N 3.14Å; S119-Q121 PolarHBondContact OG-N 2.99Å; Q121-Y123 VanDerWaalsContact C-N 3.35Å; Q121-D124 PolarHBondContact O-N 3.05Å; Q121-T125 WeakPolarHBondContact O-CB 3.2Å; Q121-T125 PolarHBondContact O-N 3.36Å; Q121-T125 PolarHBondContact O-OG1 3Å
122D94.7Very high94.8Very high76 Ų7688.5 Ų88.541%0.40643%0.427SS..Hα-helixtrans-66.2-40.1178.7-61-45.8000111.2S119 T125 A126S119-D122 WeakPolarHBondContact CB-OD2 3.4Å; S119-D122 PolarHBondContact N-OD2 2.94Å; S119-D122 PolarHBondContact O-N 2.94Å; S119-D122 PolarHBondContact OG-N 3.38Å; S119-D122 VanDerWaalsContact OG-N 3.1Å; S119-D122 PolarHBondContact OG-OD2 2.94Å; D122-T125 PolarHBondContact O-N 3.26Å; D122-A126 WeakPolarHBondContact O-CB 3.44Å; D122-A126 PolarHBondContact O-N 3.48Å
123Y95.4Very high95Very high50 Ų5085.9 Ų85.920%0.19641%0.414CS..Hα-helixtrans-61.7-50.2173.5170.8-93.7000111.9F106 A110 L113 S119 R120 Q121 T125 A126 R127F106-Y123 HydrophobicContact CD2-CE2 4.38Å; F106-Y123 HydrophobicContact CE2-CD2 4.37Å; F106-Y123 AromaticContact CE2-CE2 3.59Å; F106-Y123 HydrophobicContact CE2-CE2 3.59Å; F106-Y123 AromaticContact CE2-CZ 3.85Å; F106-Y123 HydrophobicContact CZ-CE2 4.17Å; A110-Y123 HydrophobicContact CB-CD2 4.25Å; A110-Y123 HydrophobicContact CB-CE2 3.83Å; L113-Y123 HydrophobicContact CD2-CD1 4Å; L113-Y123 HydrophobicContact CD2-CD2 3.9Å; L113-Y123 HydrophobicContact CD2-CE2 4.42Å; L113-Y123 HydrophobicContact CD2-CG 3.66Å; S119-Y123 PolarHBondContact O-N 3.42Å; R120-Y123 PolarHBondContact O-N 3.17Å; Q121-Y123 VanDerWaalsContact C-N 3.35Å; Y123-T125 VanDerWaalsContact C-N 3.27Å; Y123-T125 PolarHBondContact O-N 2.93Å; Y123-A126 PolarHBondContact O-N 3.43Å; Y123-R127 WeakPolarHBondContact O-CB 3.18Å; Y123-R127 PolarHBondContact O-N 3.05Å
124D96.5Very high95.3Very high54 Ų5486.6 Ų86.629%0.28942%0.416SS..Hα-helixtrans-65-33.6-179.3-73.3-28.9000111.3R120 Q121 T128R120-D124 IonicContact NE-OD2 3.79Å; R120-D124 WeakPolarHBondContact O-CB 3.34Å; R120-D124 PolarHBondContact O-N 2.98Å; Q121-D124 PolarHBondContact O-N 3.05Å; D124-T128 WeakPolarHBondContact O-CB 3.16Å; D124-T128 PolarHBondContact O-N 3.04Å; D124-T128 PolarHBondContact O-OG1 3.1Å
125T97.4Very high95.6Very high54 Ų5480.6 Ų80.633%0.33140%0.4SS..Hα-helixtrans-64.7-49.7172.6-58.60000111.4Q121 D122 Y123 R127 T128 Q129Q121-T125 WeakPolarHBondContact O-CB 3.2Å; Q121-T125 PolarHBondContact O-N 3.36Å; Q121-T125 PolarHBondContact O-OG1 3Å; D122-T125 PolarHBondContact O-N 3.26Å; Y123-T125 VanDerWaalsContact C-N 3.27Å; Y123-T125 PolarHBondContact O-N 2.93Å; T125-R127 VanDerWaalsContact C-N 3.31Å; T125-R127 PolarHBondContact O-N 3.3Å; T125-T128 PolarHBondContact O-N 2.78Å; T125-Q129 WeakPolarHBondContact O-CG 3.26Å; T125-Q129 PolarHBondContact O-N 3.27Å
126A97.1Very high95.9Very high4 Ų480.7 Ų80.73%0.03340%0.398CS..Hα-helixtrans-64.5-36.1178.700000112.4T105 Q109 D122 Y123 L130T105-A126 HydrophobicContact CG2-CB 4.29Å; Q109-A126 HydrophobicContact CB-CB 4.17Å; Q109-A126 HydrophobicContact CG-CB 3.84Å; D122-A126 WeakPolarHBondContact O-CB 3.44Å; D122-A126 PolarHBondContact O-N 3.48Å; Y123-A126 PolarHBondContact O-N 3.43Å; A126-L130 PolarHBondContact O-N 3.46Å
127R97.7Very high96.4Very high125 Ų12574.4 Ų74.447%0.47237%0.365SS..Hα-helixtrans-63.2-44.9173.4-174.2-179.5179-170.3-0.7111.5F106 Y123 T125 L130 N131F106-R127 HydrophobicContact CD2-CB 3.93Å; F106-R127 HydrophobicContact CD2-CG 4.44Å; F106-R127 HydrophobicContact CE2-CB 3.79Å; F106-R127 HydrophobicContact CE2-CG 3.98Å; Y123-R127 WeakPolarHBondContact O-CB 3.18Å; Y123-R127 PolarHBondContact O-N 3.05Å; T125-R127 VanDerWaalsContact C-N 3.31Å; T125-R127 PolarHBondContact O-N 3.3Å; R127-L130 PolarHBondContact O-N 3.06Å; R127-N131 VanDerWaalsContact O-CG 3.24Å; R127-N131 PolarHBondContact O-N 3.5Å; R127-N131 PolarHBondContact O-OD1 3.01Å
128T98.2Very high96.8Very high85 Ų8570.1 Ų70.152%0.52136%0.358SS..Hα-helixtrans-64-43.5178.6-57.60000111.2D124 T125 L130 N131 E132D124-T128 WeakPolarHBondContact O-CB 3.16Å; D124-T128 PolarHBondContact O-N 3.04Å; D124-T128 PolarHBondContact O-OG1 3.1Å; T125-T128 PolarHBondContact O-N 2.78Å; T128-L130 VanDerWaalsContact C-N 3.34Å; T128-L130 PolarHBondContact O-N 3.28Å; T128-N131 PolarHBondContact O-N 3.24Å; T128-E132 WeakPolarHBondContact O-CB 3.38Å; T128-E132 PolarHBondContact O-N 3.41Å
129Q98.1Very high97.2Very high95 Ų9573.4 Ų73.444%0.44438%0.377SS..Hα-helixtrans-61.6-39175.2-72.4173.6-8.900112.8T125 A133T125-Q129 WeakPolarHBondContact O-CG 3.26Å; T125-Q129 PolarHBondContact O-N 3.27Å; Q129-A133 WeakPolarHBondContact O-CB 3.49Å; Q129-A133 PolarHBondContact O-N 3.37Å
130L98.4Very high97.4Very high13 Ų1371.4 Ų71.47%0.06836%0.364CS..Hα-helixtrans-62.5-49.6173.4174.859000111A102 R103 F106 A126 R127 T128 E132 A133 E134A102-L130 HydrophobicContact CB-CB 4.44Å; A102-L130 HydrophobicContact CB-CD1 4.35Å; R103-L130 HydrophobicContact CB-CD1 3.79Å; R103-L130 HydrophobicContact CG-CD1 4.45Å; F106-L130 HydrophobicContact CB-CB 4.28Å; F106-L130 HydrophobicContact CB-CD2 3.92Å; F106-L130 HydrophobicContact CD1-CD2 3.56Å; F106-L130 HydrophobicContact CE1-CD2 4.22Å; F106-L130 HydrophobicContact CG-CD2 3.74Å; A126-L130 PolarHBondContact O-N 3.46Å; R127-L130 PolarHBondContact O-N 3.06Å; T128-L130 VanDerWaalsContact C-N 3.34Å; T128-L130 PolarHBondContact O-N 3.28Å; L130-E132 VanDerWaalsContact C-N 3.31Å; L130-E132 PolarHBondContact O-N 3.48Å; L130-A133 PolarHBondContact O-N 3.43Å; L130-E134 HydrophobicContact CD1-CG 3.92Å; L130-E134 WeakPolarHBondContact CD1-OE1 3.34Å; L130-E134 HydrophobicContact CG-CG 4.43Å; L130-E134 WeakPolarHBondContact O-CG 3.39Å; L130-E134 PolarHBondContact O-N 3.38Å
131N98.3Very high97.7Very high84 Ų8468 Ų6845%0.44936%0.355SS..Hα-helixtrans-58.6-42.9179.1-66.8-14.7000111.7R127 T128 E134 A135R127-N131 VanDerWaalsContact O-CG 3.24Å; R127-N131 PolarHBondContact O-N 3.5Å; R127-N131 PolarHBondContact O-OD1 3.01Å; T128-N131 PolarHBondContact O-N 3.24Å; N131-E134 PolarHBondContact O-N 3.45Å; N131-A135 WeakPolarHBondContact O-CB 3.12Å; N131-A135 PolarHBondContact O-N 2.83Å
132E98.5Very high97.9Very high120 Ų12064.4 Ų64.456%0.56135%0.347SS*.Hα-helixtrans-63.5-44.1176.3-173.1-175.3166.200111.6T128 L130 E134 A135 N136T128-E132 WeakPolarHBondContact O-CB 3.38Å; T128-E132 PolarHBondContact O-N 3.41Å; L130-E132 VanDerWaalsContact C-N 3.31Å; L130-E132 PolarHBondContact O-N 3.48Å; E132-E134 PolarHBondContact O-N 2.98Å; E132-A135 WeakPolarHBondContact O-CB 2.99Å; E132-A135 PolarHBondContact O-N 3.03Å; E132-N136 WeakPolarHBondContact O-CB 3.17Å; E132-N136 VanDerWaalsContact O-CG 3.3Å; E132-N136 PolarHBondContact O-N 3.18Å; E132-N136 PolarHBondContact O-ND2 3.29Å; E132-N136 VanDerWaalsContact O-ND2 3.15Å
133A98.5Very high98.1Very high4 Ų463 Ų633%0.03335%0.346CS..Hα-helixtrans-66.2-37.4178.100000112.4T98 A99 A102 Q129 L130 N136 V137T98-A133 HydrophobicContact CG2-CB 4.19Å; A99-A133 HydrophobicContact CB-CB 3.92Å; A102-A133 HydrophobicContact CB-CB 4Å; Q129-A133 WeakPolarHBondContact O-CB 3.49Å; Q129-A133 PolarHBondContact O-N 3.37Å; L130-A133 PolarHBondContact O-N 3.43Å; A133-N136 PolarHBondContact O-N 3.18Å; A133-V137 WeakPolarHBondContact O-CG2 3.49Å; A133-V137 PolarHBondContact O-N 3.4Å
134E98.4Very high98.2Very high66 Ų6661.8 Ų61.831%0.30834%0.344SS..Hα-helixtrans-67.9-37.8174-72-179.7163.900112.3R103 L130 N131 E132 V137 T138R103-E134 IonicContact CZ-OE1 3.62Å; R103-E134 IonicContact NE-OE1 3.76Å; R103-E134 IonicContact NH2-OE1 2.68Å; R103-E134 PolarHBondContact NH2-OE1 3.34Å; L130-E134 HydrophobicContact CD1-CG 3.92Å; L130-E134 WeakPolarHBondContact CD1-OE1 3.34Å; L130-E134 HydrophobicContact CG-CG 4.43Å; L130-E134 WeakPolarHBondContact O-CG 3.39Å; L130-E134 PolarHBondContact O-N 3.38Å; N131-E134 PolarHBondContact O-N 3.45Å; E132-E134 PolarHBondContact O-N 2.98Å; E134-V137 PolarHBondContact O-N 3.13Å; E134-T138 PolarHBondContact O-N 3.23Å; E134-T138 VanDerWaalsContact O-N 3.13Å; E134-T138 PolarHBondContact O-OG1 3.33Å; E134-T138 VanDerWaalsContact O-OG1 3.12Å
135A98.5Very high98.3Very high54 Ų5465.2 Ų65.245%0.44636%0.358SS..Hα-helixtrans-61.7-44.117100000111.2N131 E132 V137 T138 V139N131-A135 WeakPolarHBondContact O-CB 3.12Å; N131-A135 PolarHBondContact O-N 2.83Å; E132-A135 WeakPolarHBondContact O-CB 2.99Å; E132-A135 PolarHBondContact O-N 3.03Å; A135-V137 VanDerWaalsContact C-N 3.32Å; A135-V137 PolarHBondContact O-N 2.57Å; A135-T138 WeakPolarHBondContact O-CA 3.38Å; A135-T138 WeakPolarHBondContact O-CB 3.03Å; A135-T138 PolarHBondContact O-N 2.84Å; A135-V139 PolarHBondContact O-N 2.92Å
136N98.5Very high98.4Very high78 Ų7867.6 Ų67.642%0.41737%0.365SS..Hα-helixtrans-62.5-35.9176.4-74.7-35.4000112.8E132 A133 T138 V139 A140E132-N136 WeakPolarHBondContact O-CB 3.17Å; E132-N136 VanDerWaalsContact O-CG 3.3Å; E132-N136 PolarHBondContact O-N 3.18Å; E132-N136 PolarHBondContact O-ND2 3.29Å; E132-N136 VanDerWaalsContact O-ND2 3.15Å; A133-N136 PolarHBondContact O-N 3.18Å; N136-T138 VanDerWaalsContact C-N 3.31Å; N136-V139 PolarHBondContact O-N 3.08Å; N136-A140 WeakPolarHBondContact O-CB 3.46Å; N136-A140 PolarHBondContact O-N 3.48Å
137V98.7Very high98.4Very high13 Ų1367.6 Ų67.68%0.07937%0.365CS..Hα-helixtrans-61.6-41.8171.3168.80000111L92 A95 L96 A99 A133 E134 A135 A140 K141L92-V137 HydrophobicContact CD1-CG1 4.36Å; A95-V137 HydrophobicContact CB-CG2 3.99Å; A95-V137 WeakPolarHBondContact O-CG2 3.07Å; L96-V137 HydrophobicContact CD2-CG1 3.71Å; L96-V137 HydrophobicContact CD2-CG2 4.04Å; L96-V137 HydrophobicContact CG-CG1 4.46Å; L96-V137 HydrophobicContact CG-CG2 4.41Å; A99-V137 HydrophobicContact CB-CG2 3.68Å; A133-V137 WeakPolarHBondContact O-CG2 3.49Å; A133-V137 PolarHBondContact O-N 3.4Å; E134-V137 PolarHBondContact O-N 3.13Å; A135-V137 VanDerWaalsContact C-N 3.32Å; A135-V137 PolarHBondContact O-N 2.57Å; V137-A140 PolarHBondContact O-N 3.28Å; V137-K141 HydrophobicContact CG1-CD 4.28Å; V137-K141 HydrophobicContact CG1-CG 4.46Å; V137-K141 WeakPolarHBondContact O-CG 3.33Å; V137-K141 PolarHBondContact O-N 3.28Å
138T98.6Very high98.5Very high93 Ų9363.9 Ų63.957%0.57136%0.357SS*.Hα-helixtrans-63.9-44.6178.9-56.10000111.4E134 A135 N136 A140 K141 A142E134-T138 PolarHBondContact O-N 3.23Å; E134-T138 VanDerWaalsContact O-N 3.13Å; E134-T138 PolarHBondContact O-OG1 3.33Å; E134-T138 VanDerWaalsContact O-OG1 3.12Å; A135-T138 WeakPolarHBondContact O-CA 3.38Å; A135-T138 WeakPolarHBondContact O-CB 3.03Å; A135-T138 PolarHBondContact O-N 2.84Å; N136-T138 VanDerWaalsContact C-N 3.31Å; T138-A140 PolarHBondContact O-N 2.8Å; T138-K141 PolarHBondContact O-N 3.38Å; T138-A142 PolarHBondContact O-N 3.44Å; T138-A142 VanDerWaalsContact O-N 3.1Å
139V98.6Very high98.4Very high100 Ų10062.2 Ų62.261%0.60634%0.344SS*.Hα-helixtrans-59.9-45.1174.3174.50000111.4A135 N136 K141 A142 A143A135-V139 PolarHBondContact O-N 2.92Å; N136-V139 PolarHBondContact O-N 3.08Å; V139-K141 VanDerWaalsContact C-N 3.35Å; V139-K141 PolarHBondContact O-N 2.83Å; V139-A142 PolarHBondContact O-N 3.13Å; V139-A143 PolarHBondContact O-N 2.81Å
140A98.6Very high98.4Very high11 Ų1159.2 Ų59.29%0.09133%0.331CS..Hα-helixtrans-68-33-18000000112.9L92 A95 N136 V137 T138 A143 V144L92-A140 HydrophobicContact CB-CB 4.08Å; L92-A140 HydrophobicContact CD1-CB 3.96Å; A95-A140 HydrophobicContact CB-CB 4Å; N136-A140 WeakPolarHBondContact O-CB 3.46Å; N136-A140 PolarHBondContact O-N 3.48Å; V137-A140 PolarHBondContact O-N 3.28Å; T138-A140 PolarHBondContact O-N 2.8Å; A140-A143 PolarHBondContact O-N 2.9Å; A140-V144 WeakPolarHBondContact O-CG2 3.37Å; A140-V144 PolarHBondContact O-N 3.46Å; A140-V144 VanDerWaalsContact O-N 3.13Å
141K98.7Very high98.4Very high119 Ų11960.3 Ų60.352%0.51734%0.337SS..Hα-helixtrans-62.8-46.2171.7-76.5177.9179.1-179.20111.3L92 V137 T138 V139 A143 V144 E145L92-K141 HydrophobicContact CD1-CG 3.68Å; L92-K141 HydrophobicContact CD2-CG 4.29Å; V137-K141 HydrophobicContact CG1-CD 4.28Å; V137-K141 HydrophobicContact CG1-CG 4.46Å; V137-K141 WeakPolarHBondContact O-CG 3.33Å; V137-K141 PolarHBondContact O-N 3.28Å; T138-K141 PolarHBondContact O-N 3.38Å; V139-K141 VanDerWaalsContact C-N 3.35Å; V139-K141 PolarHBondContact O-N 2.83Å; K141-A143 VanDerWaalsContact C-N 3.29Å; K141-A143 PolarHBondContact O-N 2.99Å; K141-V144 PolarHBondContact O-N 2.88Å; K141-E145 PolarHBondContact O-N 3.08Å
142A98.6Very high98.3Very high55 Ų5562.3 Ų62.346%0.45534%0.344SS..Hα-helixtrans-60.9-38176.900000112T138 V139 E145 Q146T138-A142 PolarHBondContact O-N 3.44Å; T138-A142 VanDerWaalsContact O-N 3.1Å; V139-A142 PolarHBondContact O-N 3.13Å; A142-E145 PolarHBondContact O-N 2.76Å; A142-Q146 PolarHBondContact O-N 3.44Å
143A98.6Very high98.2Very high47 Ų4761 Ų6139%0.38833%0.334SS..Hα-helixtrans-64.1-39.8174.900000112.9V139 A140 K141 E145 A147V139-A143 PolarHBondContact O-N 2.81Å; A140-A143 PolarHBondContact O-N 2.9Å; K141-A143 VanDerWaalsContact C-N 3.29Å; K141-A143 PolarHBondContact O-N 2.99Å; A143-E145 VanDerWaalsContact C-N 3.35Å; A143-A147 WeakPolarHBondContact O-CB 3.35Å; A143-A147 PolarHBondContact O-N 2.77Å
144V98.7Very high98.2Very high23 Ų2360.9 Ų60.914%0.13933%0.333CS..Hα-helixtrans-64.9-40174.3171.80000111.4L85 A88 K89 L92 A140 K141 T148L85-V144 HydrophobicContact CD1-CG1 4.12Å; A88-V144 VanDerWaalsContact C-CG2 3.46Å; A88-V144 HydrophobicContact CB-CG2 3.86Å; A88-V144 WeakPolarHBondContact O-CG2 3.33Å; K89-V144 HydrophobicContact CG-CG1 4.21Å; K89-V144 HydrophobicContact CG-CG2 4.21Å; L92-V144 HydrophobicContact CB-CG2 4Å; L92-V144 HydrophobicContact CD2-CG2 3.98Å; A140-V144 WeakPolarHBondContact O-CG2 3.37Å; A140-V144 PolarHBondContact O-N 3.46Å; A140-V144 VanDerWaalsContact O-N 3.13Å; K141-V144 PolarHBondContact O-N 2.88Å; V144-T148 WeakPolarHBondContact O-CB 3.44Å; V144-T148 PolarHBondContact O-N 3.45Å; V144-T148 PolarHBondContact O-OG1 2.84Å
145E98.5Very high98.1Very high127 Ų12760.5 Ų60.559%0.59333%0.333SS*.Hα-helixtrans-62.8-48.8176.6-175172.7-174.700111.2K141 A142 A143 A147 T148 I149K141-E145 PolarHBondContact O-N 3.08Å; A142-E145 PolarHBondContact O-N 2.76Å; A143-E145 VanDerWaalsContact C-N 3.35Å; E145-A147 PolarHBondContact O-N 3.13Å; E145-T148 WeakPolarHBondContact O-CB 3.38Å; E145-T148 PolarHBondContact O-N 2.67Å; E145-T148 VanDerWaalsContact O-N 3.14Å; E145-I149 HydrophobicContact CG-CD1 4.19Å; E145-I149 WeakPolarHBondContact O-CG1 3.43Å; E145-I149 PolarHBondContact O-N 3.24Å
146Q98.2Very high98.1Very high103 Ų10358.5 Ų58.548%0.48132%0.315SS..Hα-helixtrans-58.7-45.8176.5-176.461.758.100112.4A142 T148 I149 N150A142-Q146 PolarHBondContact O-N 3.44Å; Q146-T148 VanDerWaalsContact C-N 3.29Å; Q146-T148 PolarHBondContact O-N 2.78Å; Q146-I149 PolarHBondContact O-N 3.4Å; Q146-N150 PolarHBondContact NE2-OD1 2.67Å; Q146-N150 VanDerWaalsContact O-CG 3.3Å; Q146-N150 PolarHBondContact O-N 2.78Å; Q146-N150 PolarHBondContact O-OD1 3Å
147A98.4Very high98Very high4 Ų457.6 Ų57.63%0.03331%0.313CS..Hα-helixtrans-66.4-32.8178.400000112.2E84 L85 A88 A143 E145 L151E84-A147 HydrophobicContact CG-CB 4.46Å; L85-A147 HydrophobicContact CB-CB 4.1Å; L85-A147 HydrophobicContact CD1-CB 3.99Å; A88-A147 HydrophobicContact CB-CB 4.21Å; A143-A147 WeakPolarHBondContact O-CB 3.35Å; A143-A147 PolarHBondContact O-N 2.77Å; E145-A147 PolarHBondContact O-N 3.13Å; A147-L151 WeakPolarHBondContact O-CB 3.48Å; A147-L151 PolarHBondContact O-N 3.46Å
148T98.3Very high98Very high47 Ų4757 Ų5729%0.28831%0.31SS..Hα-helixtrans-64.5-45.5173.1-59.40000111.3L85 V144 E145 Q146 L151 Q152L85-T148 WeakPolarHBondContact CD1-OG1 3.45Å; V144-T148 WeakPolarHBondContact O-CB 3.44Å; V144-T148 PolarHBondContact O-N 3.45Å; V144-T148 PolarHBondContact O-OG1 2.84Å; E145-T148 WeakPolarHBondContact O-CB 3.38Å; E145-T148 PolarHBondContact O-N 2.67Å; E145-T148 VanDerWaalsContact O-N 3.14Å; Q146-T148 VanDerWaalsContact C-N 3.29Å; Q146-T148 PolarHBondContact O-N 2.78Å; T148-L151 PolarHBondContact O-N 3.29Å; T148-Q152 WeakPolarHBondContact O-CG 3.13Å; T148-Q152 PolarHBondContact O-N 2.77Å
149I97.7Very high97.9Very high50 Ų5055.8 Ų55.826%0.25630%0.303SS..Hα-helixtrans-61.2-46.7177.4-70.1166.6000110.5E145 Q146 L151 Q152 Y153E145-I149 HydrophobicContact CG-CD1 4.19Å; E145-I149 WeakPolarHBondContact O-CG1 3.43Å; E145-I149 PolarHBondContact O-N 3.24Å; Q146-I149 PolarHBondContact O-N 3.4Å; I149-L151 VanDerWaalsContact C-N 3.31Å; I149-L151 PolarHBondContact O-N 2.81Å; I149-Q152 WeakPolarHBondContact O-CB 3.4Å; I149-Q152 PolarHBondContact O-N 2.9Å; I149-Q152 VanDerWaalsContact O-N 3.1Å; I149-Y153 HydrophobicContact CG2-CD2 3.97Å; I149-Y153 HydrophobicContact CG2-CE1 4.37Å; I149-Y153 HydrophobicContact CG2-CE2 3.29Å; I149-Y153 WeakPolarHBondContact O-CD2 3.29Å; I149-Y153 PolarHBondContact O-N 3.24Å
150N97Very high97.9Very high33 Ų3352.2 Ų52.218%0.17628%0.28CS..Hα-helixtrans-59.9-42177.7-66.8-8.6000111.7V52 L81 Q146 Q152 Y153 A154V52-N150 HydrophobicContact CG1-CB 4.2Å; L81-N150 HydrophobicContact CD2-CB 4.13Å; Q146-N150 PolarHBondContact NE2-OD1 2.67Å; Q146-N150 VanDerWaalsContact O-CG 3.3Å; Q146-N150 PolarHBondContact O-N 2.78Å; Q146-N150 PolarHBondContact O-OD1 3Å; N150-Q152 VanDerWaalsContact C-N 3.33Å; N150-Q152 PolarHBondContact O-N 2.85Å; N150-Y153 PolarHBondContact O-N 3.17Å; N150-A154 PolarHBondContact O-N 3.33Å
151L97.8Very high97.8Very high36 Ų3653.6 Ų53.619%0.18829%0.288CS..Hα-helixtrans-63.3-37.6175.7-178.663.8000112.2P78 L81 Q82 L85 A147 T148 I149 Y153 A154P78-L151 HydrophobicContact CB-CD1 3.71Å; L81-L151 HydrophobicContact CB-CB 4.41Å; L81-L151 HydrophobicContact CB-CD1 3.92Å; Q82-L151 HydrophobicContact CB-CD1 4.33Å; L85-L151 HydrophobicContact CD2-CD2 3.58Å; A147-L151 WeakPolarHBondContact O-CB 3.48Å; A147-L151 PolarHBondContact O-N 3.46Å; T148-L151 PolarHBondContact O-N 3.29Å; I149-L151 VanDerWaalsContact C-N 3.31Å; I149-L151 PolarHBondContact O-N 2.81Å; L151-Y153 VanDerWaalsContact C-N 3.32Å; L151-Y153 PolarHBondContact O-N 2.94Å; L151-A154 WeakPolarHBondContact O-CB 2.88Å; L151-A154 PolarHBondContact O-N 2.63Å
152Q97.2Very high97.7Very high126 Ų12648.3 Ų48.359%0.58927%0.266SS*.Hα-helixtrans-63.4-39.1174.8-71.8172.8-4.500111.7T148 I149 N150 A154 N155T148-Q152 WeakPolarHBondContact O-CG 3.13Å; T148-Q152 PolarHBondContact O-N 2.77Å; I149-Q152 WeakPolarHBondContact O-CB 3.4Å; I149-Q152 PolarHBondContact O-N 2.9Å; I149-Q152 VanDerWaalsContact O-N 3.1Å; N150-Q152 VanDerWaalsContact C-N 3.33Å; N150-Q152 PolarHBondContact O-N 2.85Å; Q152-A154 PolarHBondContact O-N 2.88Å; Q152-N155 PolarHBondContact O-N 2.78Å
153Y97Very high97.6Very high92 Ų9248.1 Ų48.136%0.36126%0.26SS..Hα-helixtrans-66.2-12.7175.6-64.7-31.5000114.5Q51 V52 I149 N150 L151 N155Q51-Y153 HydrophobicContact CB-CD2 3.91Å; Q51-Y153 HydrophobicContact CB-CE2 4.44Å; Q51-Y153 HydrophobicContact CB-CG 3.96Å; Q51-Y153 PolarHBondContact OE1-OH 2.84Å; V52-Y153 HydrophobicContact CG1-CD2 4.39Å; I149-Y153 HydrophobicContact CG2-CD2 3.97Å; I149-Y153 HydrophobicContact CG2-CE1 4.37Å; I149-Y153 HydrophobicContact CG2-CE2 3.29Å; I149-Y153 WeakPolarHBondContact O-CD2 3.29Å; I149-Y153 PolarHBondContact O-N 3.24Å; N150-Y153 PolarHBondContact O-N 3.17Å; L151-Y153 VanDerWaalsContact C-N 3.32Å; L151-Y153 PolarHBondContact O-N 2.94Å; Y153-N155 PolarHBondContact O-N 2.76Å
154A97.4Very high97.5Very high1 Ų146 Ų461%0.00824%0.242CC..THydrogen-bonded Turntrans-63.8-27.9169.100000111.8Q75 I76 P78 L81 N150 L151 Q152Q75-A154 PolarHBondContact NE2-O 3.14Å; I76-A154 HydrophobicContact CB-CB 4.45Å; I76-A154 PolarHBondContact N-O 2.8Å; P78-A154 HydrophobicContact CB-CB 4.23Å; L81-A154 HydrophobicContact CD1-CB 3.75Å; N150-A154 PolarHBondContact O-N 3.33Å; L151-A154 WeakPolarHBondContact O-CB 2.88Å; L151-A154 PolarHBondContact O-N 2.63Å; Q152-A154 PolarHBondContact O-N 2.88Å
155N97.6Very high97.4Very high58 Ų5846.3 Ų46.331%0.3125%0.25SC..EExtended strand (participates in β ladder)trans-91.897.7169-179.532.5000109.2S72 Q152 Y153 T157S72-N155 WeakPolarHBondContact CB-OD1 3.33Å; S72-N155 PolarHBondContact OG-OD1 2.82Å; Q152-N155 PolarHBondContact O-N 2.78Å; Y153-N155 PolarHBondContact O-N 2.76Å; N155-T157 PolarHBondContact O-N 3.16Å
156V97.1Very high97.2Very high12 Ų1248.6 Ų48.67%0.07326%0.258CS..EExtended strand (participates in β ladder)trans-77.1111.8-179-175.70000108.8I48 L73 Y74 I76 L183I48-V156 HydrophobicContact CG2-CG1 3.36Å; L73-V156 WeakPolarHBondContact CA-O 3.42Å; L73-V156 WeakPolarHBondContact CB-O 3.42Å; L73-V156 PolarHBondContact N-O 3.22Å; Y74-V156 HydrophobicContact CD2-CG1 4.49Å; Y74-V156 PolarHBondContact N-O 2.8Å; Y74-V156 PolarHBondContact O-N 2.98Å; I76-V156 HydrophobicContact CD1-CG2 3.68Å; I76-V156 HydrophobicContact CG1-CG2 4.2Å; V156-L183 HydrophobicContact CG1-CD1 4.48Å
157T97.5Very high97.2Very high60 Ų6044.5 Ų44.537%0.36824%0.241SC..EExtended strand (participates in β ladder)trans-104.5158-177.657.70000113.1G70 D71 N155G70-T157 WeakPolarHBondContact O-CG2 3.5Å; D71-T157 CarbonylContact O-C 3.53Å; D71-T157 WeakPolarHBondContact O-CA 3.44Å; N155-T157 PolarHBondContact O-N 3.16Å
158S97.9Very high97Very high1 Ų147.8 Ų47.81%0.00726%0.263CS..  trans-73.3126.7170.7-168.30000111.5G70 D71 I160G70-S158 PolarHBondContact N-O 2.84Å; D71-S158 PolarHBondContact O-N 3.08Å; S158-I160 VanDerWaalsContact C-N 3.32Å; S158-I160 PolarHBondContact OG-O 3.39Å
159P96.9Very high96.9Very high66 Ų6646.6 Ų46.643%0.42926%0.256SS..SBendtrans-79-15.217732.8-35.6000113.1A46 I48 Q69A46-P159 HydrophobicContact CB-CG 3.75Å; I48-P159 HydrophobicContact CD1-CG 3.94Å; Q69-P159 WeakPolarHBondContact CG-O 3.36Å; Q69-P159 PolarHBondContact NE2-O 3.31Å
160I97.4Very high96.8Very high25 Ų2548.9 Ų48.913%0.12827%0.272CS..SBendtrans-135.2160.5-179.364.6172000111.1E44 A46 S158 V186E44-I160 HydrophobicContact CB-CD1 3.86Å; A46-I160 HydrophobicContact CB-CD1 3.61Å; A46-I160 HydrophobicContact CB-CG1 3.74Å; S158-I160 VanDerWaalsContact C-N 3.32Å; S158-I160 PolarHBondContact OG-O 3.39Å; I160-V186 HydrophobicContact CD1-CG1 4.4Å; I160-V186 HydrophobicContact CG1-CB 4.44Å; I160-V186 HydrophobicContact CG1-CG1 3.99Å
161T97.5Very high96.8Very high41 Ų4151.4 Ų51.425%0.25229%0.289SS..  trans-86.3129.2167-620000109.5V67 Q69 R188V67-T161 WeakPolarHBondContact O-CA 3.44Å; Q69-T161 PolarHBondContact N-OG1 2.94Å; T161-R188 PolarHBondContact O-NE 3.22Å
162G96.4Very high96.7Very high7 Ų752.1 Ų52.17%0.07231%0.305CS..EExtended strand (participates in β ladder)trans-177.8-168.9-176.100000113.1K66 V67 Q187K66-G162 CarbonylContact C-O 3.53Å; K66-G162 WeakPolarHBondContact CA-O 3.2Å; V67-G162 PolarHBondContact N-O 2.94Å; V67-G162 PolarHBondContact O-N 2.91Å; V67-G162 VanDerWaalsContact O-O 3.13Å; G162-Q187 CarbonylContact C-O 3.53Å; G162-Q187 WeakPolarHBondContact CA-O 3.35Å
163V96.3Very high96.7Very high51 Ų5147.3 Ų47.331%0.30929%0.287SS..EExtended strand (participates in β ladder)trans-96.8131.5174.9-178.90000108.8G64 V186 Q187 L189G64-V163 VanDerWaalsContact O-CG1 3.24Å; G64-V163 WeakPolarHBondContact O-CG1 3.36Å; V163-V186 WeakPolarHBondContact O-CA 3.27Å; V163-Q187 PolarHBondContact N-O 2.83Å; V163-Q187 PolarHBondContact O-N 3.15Å; V163-L189 HydrophobicContact CB-CD1 4.25Å; V163-L189 HydrophobicContact CG2-CD1 4.03Å; V163-L189 HydrophobicContact CG2-CG 4.39Å
164S97Very high96.7Very high3 Ų349.2 Ų49.22%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-80.5137.117764.50000111.2F61 I62 G64 D65F61-S164 WeakPolarHBondContact CD2-OG 3.35Å; I62-S164 PolarHBondContact O-OG 2.83Å; G64-S164 WeakPolarHBondContact CA-O 3.25Å; G64-S164 PolarHBondContact N-O 2.85Å; G64-S164 PolarHBondContact N-OG 3.21Å; D65-S164 PolarHBondContact O-N 2.96Å; D65-S164 PolarHBondContact O-OG 2.64Å
165G95.6Very high96.7Very high29 Ų2949.2 Ų49.230%0.29930%0.302SS..  trans-80-164.8171.800000112.9T185G165-T185 PolarHBondContact N-O 2.96Å
166K95.8Very high96.6Very high175 Ų17550.4 Ų50.476%0.76131%0.312SS*.  trans-66146.3170.466.5179.8-178.2178.30111.3
167S96.9Very high96.5Very high18 Ų1852.2 Ų52.213%0.12633%0.328CS..  trans-76.7125.3170.3-168.90000109.3E63 Y74 V169E63-S167 WeakPolarHBondContact OE1-CB 3.42Å; E63-S167 PolarHBondContact OE2-N 3.25Å; Y74-S167 WeakPolarHBondContact OH-CB 3.44Å; Y74-S167 PolarHBondContact OH-OG 3.32Å; S167-V169 VanDerWaalsContact C-N 3.31Å; S167-V169 WeakPolarHBondContact CB-O 3.33Å; S167-V169 PolarHBondContact OG-O 2.93Å
168S95.9Very high96.1Very high72 Ų7255.4 Ų55.450%0.50334%0.343SS..SBendtrans-78.7-19.3174.867.80000112.8S182 L183S168-S182 WeakPolarHBondContact CB-O 3.47Å; S168-S182 PolarHBondContact OG-O 3.43Å; S168-L183 PolarHBondContact N-O 2.89Å; S168-L183 VanDerWaalsContact OG-CA 3.28Å; S168-L183 WeakPolarHBondContact OG-CA 3.25Å; S168-L183 PolarHBondContact OG-O 3.33Å
169V95.6Very high95.9Very high23 Ų2357.1 Ų57.114%0.13935%0.351CS..SBendtrans-119.3162.8177.9-62.10000111.1I56 Y74 S167 A173 V175 L183I56-V169 HydrophobicContact CG1-CG2 4.44Å; Y74-V169 HydrophobicContact CE1-CG2 4.07Å; S167-V169 VanDerWaalsContact C-N 3.31Å; S167-V169 WeakPolarHBondContact CB-O 3.33Å; S167-V169 PolarHBondContact OG-O 2.93Å; V169-A173 HydrophobicContact CB-CB 4.03Å; V169-A173 HydrophobicContact CG1-CB 4.43Å; V169-V175 HydrophobicContact CG1-CG1 4.44Å; V169-L183 HydrophobicContact CG1-CD2 4.01Å; V169-L183 HydrophobicContact CG2-CB 4.28Å; V169-L183 HydrophobicContact CG2-CD2 3.88Å
170T95.6Very high95.8Very high98 Ų9857.7 Ų57.760%0.60136%0.361SS*.  trans-118.9165.8173.7560000110.8G172 A173T170-G172 PolarHBondContact O-N 3.23Å; T170-A173 VanDerWaalsContact O-CB 3.25Å; T170-A173 WeakPolarHBondContact O-CB 3.25Å; T170-A173 PolarHBondContact O-N 2.76Å; T170-A173 VanDerWaalsContact O-N 3.08Å
171V96.7Very high95.6Very high85 Ų8562.3 Ų62.352%0.51539%0.386SS..THydrogen-bonded Turntrans-57.9130.7171.4176.40000109I57 R59I57-V171 WeakPolarHBondContact O-CG1 3.47Å; R59-V171 HydrophobicContact CB-CG2 4.35Å
172G96.6Very high95.5Very high51 Ų5161.5 Ų61.553%0.52638%0.382SS..THydrogen-bonded Turntrans99.7-11.9-173.500000114.4I56 T170I56-G172 PolarHBondContact O-N 2.82Å; T170-G172 PolarHBondContact O-N 3.23Å
173A97Very high95.5Very high26 Ų2661.1 Ų61.122%0.21538%0.379CS..  trans-69.3138175.700000111.6I55 I56 V169 T170I55-A173 WeakPolarHBondContact CA-O 3.11Å; I56-A173 PolarHBondContact N-O 2.7Å; V169-A173 HydrophobicContact CB-CB 4.03Å; V169-A173 HydrophobicContact CG1-CB 4.43Å; T170-A173 VanDerWaalsContact O-CB 3.25Å; T170-A173 WeakPolarHBondContact O-CB 3.25Å; T170-A173 PolarHBondContact O-N 2.76Å; T170-A173 VanDerWaalsContact O-N 3.08Å
174L96.8Very high95.6Very high131 Ų13158.8 Ų58.869%0.68636%0.364SS*.EExtended strand (participates in β ladder)trans-82.7127.8168.5177.766.7000109.1I55I55-L174 HydrophobicContact CG1-CD1 4.23Å
175V96.9Very high95.6Very high2 Ų260.4 Ų60.41%0.01237%0.374CS..EExtended strand (participates in β ladder)trans-116.9153.4174.6-60.20000110.5P50 G53 G54 I56 I76 V169 L183P50-V175 HydrophobicContact CB-CB 4.36Å; P50-V175 HydrophobicContact CB-CG2 3.95Å; P50-V175 HydrophobicContact CG-CB 4.07Å; P50-V175 HydrophobicContact CG-CG2 4.22Å; G53-V175 VanDerWaalsContact CA-O 3.26Å; G53-V175 WeakPolarHBondContact CA-O 3.36Å; G54-V175 PolarHBondContact N-O 2.81Å; G54-V175 WeakPolarHBondContact O-CG2 3.43Å; G54-V175 PolarHBondContact O-N 3.32Å; I56-V175 HydrophobicContact CD1-CG1 4.14Å; I56-V175 HydrophobicContact CD1-CG2 4.04Å; I56-V175 HydrophobicContact CG1-CG1 3.9Å; I56-V175 HydrophobicContact CG1-CG2 4.4Å; I76-V175 HydrophobicContact CD1-CG2 4.09Å; I76-V175 HydrophobicContact CG1-CG2 4.19Å; V169-V175 HydrophobicContact CG1-CG1 4.44Å; V175-L183 HydrophobicContact CG1-CD2 3.74Å
176T96.2Very high95.7Very high82 Ų8259 Ų5950%0.50336%0.36SS..  trans-116.4151.4177.3620000110.7P50 N178 Q179P50-T176 WeakPolarHBondContact CG-O 3.48Å; T176-N178 PolarHBondContact O-N 2.59Å; T176-Q179 PolarHBondContact O-N 3.08Å
177A94.1Very high95.8Very high50 Ų5053.5 Ų53.541%0.41334%0.337SS..THydrogen-bonded Turntrans-58.3132.6177.700000111.2Q51 Q179Q51-A177 VanDerWaalsContact O-CB 3.31Å; Q51-A177 WeakPolarHBondContact O-CB 3.38Å; A177-Q179 VanDerWaalsContact C-N 3.27Å; A177-Q179 PolarHBondContact O-N 3.34Å
178N90.2Very high95.8Very high127 Ų12755.7 Ų55.768%0.67934%0.342SS*.THydrogen-bonded Turntrans5732.3176-54.7-44.1000114.9P50 T176P50-N178 PolarHBondContact O-N 3.03Å; T176-N178 PolarHBondContact O-N 2.59Å
179Q93Very high95.8Very high37 Ų3753.6 Ų53.617%0.17333%0.325CS..  trans-60.3155.517665.6179.739.100113.4R49 P50 T176 A177 D181R49-Q179 PolarHBondContact NH1-O 3.36Å; P50-Q179 HydrophobicContact CG-CG 3.79Å; T176-Q179 PolarHBondContact O-N 3.08Å; A177-Q179 VanDerWaalsContact C-N 3.27Å; A177-Q179 PolarHBondContact O-N 3.34Å; Q179-D181 VanDerWaalsContact C-N 3.33Å; Q179-D181 WeakPolarHBondContact CG-O 3.28Å; Q179-D181 PolarHBondContact NE2-O 3.45Å; Q179-D181 PolarHBondContact O-N 3.47Å
180A94Very high95.8Very high79 Ų7956.3 Ų56.365%0.65334%0.339SS*.SBendtrans-71.3-21.8-177.100000114.3R49R49-A180 VanDerWaalsContact CZ-O 3.26Å; R49-A180 PolarHBondContact NH1-O 3.06Å; R49-A180 PolarHBondContact NH2-O 3.23Å; R49-A180 VanDerWaalsContact NH2-O 3.17Å
181D94.1Very high95.9Very high121 Ų12153.5 Ų53.565%0.64732%0.323SS*.SBendtrans-99.8127.2177.4-62.2-41.2000111.1Q179Q179-D181 VanDerWaalsContact C-N 3.33Å; Q179-D181 WeakPolarHBondContact CG-O 3.28Å; Q179-D181 PolarHBondContact NE2-O 3.45Å; Q179-D181 PolarHBondContact O-N 3.47Å
182S95.7Very high95.9Very high24 Ų2449.5 Ų49.517%0.16830%0.298CS..  trans-70144.5173.460.70000111.5I48 S168I48-S182 CarbonylContact O-C 3.6Å; I48-S182 WeakPolarHBondContact O-CA 3.49Å; S168-S182 WeakPolarHBondContact CB-O 3.47Å; S168-S182 PolarHBondContact OG-O 3.43Å
183L96.8Very high95.9Very high0 Ų049.3 Ų49.30%028%0.282CS..SBendtrans-69.8-41.8174.5-51.9-178.8000111.8I48 P50 I56 Y74 V156 S168 V169 V175I48-L183 PolarHBondContact O-N 3.47Å; P50-L183 HydrophobicContact CB-CD1 4.34Å; P50-L183 HydrophobicContact CG-CD2 4.39Å; I56-L183 HydrophobicContact CD1-CD1 4.48Å; Y74-L183 HydrophobicContact CD2-CB 4.21Å; Y74-L183 HydrophobicContact CD2-CD1 3.89Å; Y74-L183 HydrophobicContact CE2-CB 3.62Å; Y74-L183 HydrophobicContact CE2-CD1 4.18Å; Y74-L183 HydrophobicContact CG-CD1 4.38Å; Y74-L183 PolarHBondContact OH-O 3.04Å; V156-L183 HydrophobicContact CG1-CD1 4.48Å; S168-L183 PolarHBondContact N-O 2.89Å; S168-L183 VanDerWaalsContact OG-CA 3.28Å; S168-L183 WeakPolarHBondContact OG-CA 3.25Å; S168-L183 PolarHBondContact OG-O 3.33Å; V169-L183 HydrophobicContact CG1-CD2 4.01Å; V169-L183 HydrophobicContact CG2-CB 4.28Å; V169-L183 HydrophobicContact CG2-CD2 3.88Å; V175-L183 HydrophobicContact CG1-CD2 3.74Å
184V97.6Very high95.9Very high2 Ų248 Ų481%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-157.4154.3177.264.90000108.4I48 F61 L73 Y74I48-V184 HydrophobicContact CB-CG1 3.82Å; I48-V184 VanDerWaalsContact CB-O 3.29Å; I48-V184 WeakPolarHBondContact CB-O 3.38Å; I48-V184 HydrophobicContact CG1-CG1 3.69Å; I48-V184 WeakPolarHBondContact CG1-O 3.43Å; I48-V184 HydrophobicContact CG2-CG1 4.45Å; I48-V184 PolarHBondContact N-O 3.18Å; F61-V184 HydrophobicContact CE2-CG2 4.05Å; F61-V184 HydrophobicContact CZ-CB 4.1Å; F61-V184 HydrophobicContact CZ-CG1 4.21Å; F61-V184 HydrophobicContact CZ-CG2 3.84Å; L73-V184 HydrophobicContact CD1-CG1 4.07Å; Y74-V184 HydrophobicContact CE2-CB 4.28Å; Y74-V184 HydrophobicContact CE2-CG1 3.78Å
185T97.4Very high95.8Very high37 Ų3743.3 Ų43.323%0.22725%0.247CC..EExtended strand (participates in β ladder)trans-106.9128.8170.6-50.60000108.9V45 A46 E47 G165 Q187V45-T185 HydrophobicContact CG1-CG2 3.58Å; A46-T185 WeakPolarHBondContact O-CA 3.48Å; E47-T185 HydrophobicContact CG-CG2 4.43Å; G165-T185 PolarHBondContact N-O 2.96Å; T185-Q187 HydrophobicContact CG2-CG 3.96Å
186V97.8Very high95.7Very high0 Ų043.2 Ų43.20%025%0.246CC..EExtended strand (participates in β ladder)trans-105.3131.4172-179.40000108.3A46 I48 V67 L73 I160 V163A46-V186 HydrophobicContact CB-CB 4.48Å; A46-V186 PolarHBondContact N-O 2.79Å; A46-V186 PolarHBondContact O-N 2.85Å; I48-V186 HydrophobicContact CD1-CG2 4.22Å; I48-V186 HydrophobicContact CG1-CG2 4.01Å; V67-V186 HydrophobicContact CG2-CG1 3.64Å; V67-V186 HydrophobicContact CG2-CG2 3.99Å; L73-V186 HydrophobicContact CD1-CG2 4.21Å; I160-V186 HydrophobicContact CD1-CG1 4.4Å; I160-V186 HydrophobicContact CG1-CB 4.44Å; I160-V186 HydrophobicContact CG1-CG1 3.99Å; V163-V186 WeakPolarHBondContact O-CA 3.27Å
187Q97.4Very high95.6Very high58 Ų5842.2 Ų42.227%0.27124%0.24SC..EExtended strand (participates in β ladder)trans-127131.3-175-64-178.7-17.100111.2P42 E44 V45 G162 V163 T185 L189P42-Q187 HydrophobicContact CB-CB 4.13Å; P42-Q187 HydrophobicContact CB-CG 4.43Å; P42-Q187 HydrophobicContact CG-CB 4.39Å; P42-Q187 HydrophobicContact CG-CG 4.26Å; E44-Q187 CarbonylContact O-C 3.59Å; E44-Q187 WeakPolarHBondContact O-CA 3.49Å; V45-Q187 HydrophobicContact CG1-CG 4.41Å; V45-Q187 HydrophobicContact CG2-CG 4.39Å; G162-Q187 CarbonylContact C-O 3.53Å; G162-Q187 WeakPolarHBondContact CA-O 3.35Å; V163-Q187 PolarHBondContact N-O 2.83Å; V163-Q187 PolarHBondContact O-N 3.15Å; T185-Q187 HydrophobicContact CG2-CG 3.96Å; Q187-L189 HydrophobicContact CB-CD2 3.92Å
188R97Very high95.4Very high65 Ų6540.3 Ų40.325%0.24522%0.223CC..EExtended strand (participates in β ladder)trans-85116.6169.4-169.2176.5-62.4154.17109Y43 E44 T161 D190Y43-R188 PolarHBondContact N-O 2.82Å; E44-R188 HydrophobicContact CB-CB 4Å; E44-R188 VanDerWaalsContact CD-CZ 3.41Å; E44-R188 PolarHBondContact O-N 2.59Å; E44-R188 IonicContact OE1-CZ 3.41Å; E44-R188 IonicContact OE1-NH1 2.76Å; E44-R188 PolarHBondContact OE1-NH1 2.95Å; E44-R188 IonicContact OE1-NH2 3.61Å; E44-R188 IonicContact OE2-CZ 2.85Å; E44-R188 IonicContact OE2-NE 3.44Å; E44-R188 PolarHBondContact OE2-NE 2.83Å; E44-R188 IonicContact OE2-NH1 3.13Å; E44-R188 PolarHBondContact OE2-NH1 2.91Å; E44-R188 VanDerWaalsContact OE2-NH1 3.13Å; E44-R188 IonicContact OE2-NH2 2.67Å; E44-R188 PolarHBondContact OE2-NH2 3.27Å; T161-R188 PolarHBondContact O-NE 3.22Å; R188-D190 WeakPolarHBondContact CG-O 3.23Å
189L95.6Very high95.5Very high27 Ų2736.2 Ų36.214%0.14120%0.204CC..EExtended strand (participates in β ladder)trans-104.1-9.5-175.1-56.2-173.1000114P42 V163 Q187 P191 N262 P269P42-L189 HydrophobicContact CB-CD2 4.23Å; V163-L189 HydrophobicContact CB-CD1 4.25Å; V163-L189 HydrophobicContact CG2-CD1 4.03Å; V163-L189 HydrophobicContact CG2-CG 4.39Å; Q187-L189 HydrophobicContact CB-CD2 3.92Å; L189-P191 CarbonylContact C-O 3.55Å; L189-P191 CarbonylContact O-C 3.47Å; L189-N262 VanDerWaalsContact O-CB 3.29Å; L189-N262 WeakPolarHBondContact O-CB 3.27Å; L189-N262 PolarHBondContact O-ND2 2.98Å; L189-P269 HydrophobicContact CD2-CG 3.36Å
190D95.8Very high95.3Very high81 Ų8136.1 Ų36.143%0.43321%0.206SC..EExtended strand (participates in β ladder)trans-128.2118.3172.4-176.443.3000110R188 N262R188-D190 WeakPolarHBondContact CG-O 3.23Å; D190-N262 PolarHBondContact OD1-N 3.04Å
191P96.4Very high95Very high39 Ų3939.6 Ų39.625%0.25321%0.208SC..EExtended strand (participates in β ladder)cis-64.8177.5-9.730.6-35.3000112Y43 L189 I259 F260Y43-P191 WeakPolarHBondContact CB-O 3.25Å; Y43-P191 HydrophobicContact CD2-CG 3.69Å; Y43-P191 HydrophobicContact CE2-CG 3.98Å; Y43-P191 HydrophobicContact CG-CG 4.06Å; L189-P191 CarbonylContact C-O 3.55Å; L189-P191 CarbonylContact O-C 3.47Å; P191-I259 HydrophobicContact CB-CD1 3.96Å; P191-I259 HydrophobicContact CB-CG1 3.81Å; P191-I259 HydrophobicContact CG-CD1 3.72Å; P191-I259 HydrophobicContact CG-CG1 4.14Å; P191-F260 WeakPolarHBondContact CA-O 3.38Å; P191-F260 WeakPolarHBondContact CB-O 3.35Å
192I97Very high94.7Very high0 Ų036.5 Ų36.50%019%0.192CC..EExtended strand (participates in β ladder)trans-123.5147.2173.4-160166.8000110.6V41 F260 N262 L267V41-I192 WeakPolarHBondContact O-CG1 3.43Å; I192-F260 HydrophobicContact CG2-CB 4.07Å; I192-F260 PolarHBondContact N-O 2.82Å; I192-F260 PolarHBondContact O-N 2.88Å; I192-N262 HydrophobicContact CB-CB 4.28Å; I192-N262 HydrophobicContact CG2-CB 4.02Å; I192-L267 HydrophobicContact CD1-CB 3.97Å; I192-L267 WeakPolarHBondContact CD1-O 3.45Å; I192-L267 HydrophobicContact CG2-CB 4.04Å; I192-L267 HydrophobicContact CG2-CD1 3.57Å; I192-L267 HydrophobicContact CG2-CG 4.46Å
193Y97Very high94.1Very high47 Ų4738.4 Ų38.418%0.18420%0.198CC..EExtended strand (participates in β ladder)trans-88.5154.3171.6-71.2-52.4000111.2T40 V41 Y43 R257 A258 I259T40-Y193 CarbonylContact C-O 3.46Å; T40-Y193 WeakPolarHBondContact CA-O 3.43Å; V41-Y193 PolarHBondContact N-O 2.86Å; V41-Y193 PolarHBondContact O-N 3Å; Y43-Y193 HydrophobicContact CD2-CD2 4.17Å; Y43-Y193 AromaticContact CD2-CE1 3.91Å; Y43-Y193 HydrophobicContact CD2-CE1 3.91Å; Y43-Y193 AromaticContact CD2-CE2 3.49Å; Y43-Y193 HydrophobicContact CD2-CE2 3.49Å; Y43-Y193 VanDerWaalsContact CD2-CE2 3.49Å; Y43-Y193 AromaticContact CD2-CZ 3.34Å; Y43-Y193 WeakPolarHBondContact CD2-OH 3.28Å; Y43-Y193 HydrophobicContact CE2-CE1 4.05Å; Y43-Y193 AromaticContact CE2-CE2 3.99Å; Y43-Y193 HydrophobicContact CE2-CE2 3.99Å; Y43-Y193 AromaticContact CE2-CZ 3.44Å; Y43-Y193 VanDerWaalsContact CE2-CZ 3.44Å; Y43-Y193 WeakPolarHBondContact CE2-OH 3.36Å; Y43-Y193 HydrophobicContact CG-CE2 4.12Å; Y193-R257 HydrophobicContact CD1-CG 3.71Å; Y193-R257 HydrophobicContact CE1-CG 4.26Å; Y193-R257 HydrophobicContact CG-CG 4.1Å; Y193-A258 CarbonylContact C-O 3.57Å; Y193-A258 WeakPolarHBondContact CA-O 3.31Å; Y193-I259 HydrophobicContact CD1-CB 4.15Å; Y193-I259 HydrophobicContact CD1-CG1 4.17Å; Y193-I259 HydrophobicContact CE1-CB 4.18Å; Y193-I259 HydrophobicContact CE1-CD1 3.99Å; Y193-I259 HydrophobicContact CE1-CG1 4.09Å
194V96.9Very high93.7Very high0 Ų042.5 Ų42.50%022%0.219CC..EExtended strand (participates in β ladder)trans-130.4117.3166.5-175.60000107.9R39 T40 L196 L226 A258 F260 V273R39-V194 WeakPolarHBondContact O-CA 3.29Å; T40-V194 HydrophobicContact CG2-CG2 4.1Å; V194-L196 HydrophobicContact CB-CD2 4.5Å; V194-L196 HydrophobicContact CG1-CD2 3.49Å; V194-L196 VanDerWaalsContact CG1-CD2 3.49Å; V194-L196 HydrophobicContact CG1-CG 4.26Å; V194-L226 HydrophobicContact CG1-CD2 4.35Å; V194-L226 HydrophobicContact CG2-CD1 3.95Å; V194-L226 HydrophobicContact CG2-CD2 4.49Å; V194-A258 PolarHBondContact N-O 3.33Å; V194-A258 PolarHBondContact O-N 2.85Å; V194-F260 HydrophobicContact CB-CD2 4.31Å; V194-F260 HydrophobicContact CB-CE2 4.25Å; V194-F260 HydrophobicContact CG2-CD2 3.64Å; V194-F260 HydrophobicContact CG2-CE2 3.93Å; V194-V273 HydrophobicContact CG1-CG2 3.45Å; V194-V273 VanDerWaalsContact CG1-CG2 3.45Å
195D95.6Very high93.1Very high32 Ų3248 Ų4817%0.17124%0.24CC..EExtended strand (participates in β ladder)trans-91.1111.5175.3-71.4-8.6000108G38 R39 V41 T255 R257G38-D195 CarbonylContact C-O 3.15Å; G38-D195 WeakPolarHBondContact CA-O 3.1Å; R39-D195 PolarHBondContact N-O 2.98Å; R39-D195 PolarHBondContact O-N 2.79Å; V41-D195 HydrophobicContact CG2-CB 4.37Å; D195-T255 HydrophobicContact CB-CG2 3.89Å; D195-R257 IonicContact OD1-CZ 3.86Å; D195-R257 IonicContact OD1-NE 2.78Å; D195-R257 PolarHBondContact OD1-NE 3.29Å; D195-R257 IonicContact OD1-NH2 3.75Å; D195-R257 PolarHBondContact OD1-NH2 2.83Å; D195-R257 VanDerWaalsContact OD1-NH2 3.15Å; D195-R257 IonicContact OD2-CZ 3.52Å; D195-R257 IonicContact OD2-NE 3.57Å; D195-R257 IonicContact OD2-NH2 2.7Å; D195-R257 PolarHBondContact OD2-NH2 2.81Å
196L94.6Very high92.4Very high0 Ų047.3 Ų47.30%023%0.234CC..EExtended strand (participates in β ladder)trans-100.2141.5-179.1-50.4174.1000109.1L36 P37 V194 V224 T255 L256 A258 A275 V277L36-L196 HydrophobicContact CB-CB 4.25Å; P37-L196 CarbonylContact O-C 3.49Å; P37-L196 WeakPolarHBondContact O-CA 3.29Å; V194-L196 HydrophobicContact CB-CD2 4.5Å; V194-L196 HydrophobicContact CG1-CD2 3.49Å; V194-L196 VanDerWaalsContact CG1-CD2 3.49Å; V194-L196 HydrophobicContact CG1-CG 4.26Å; L196-V224 HydrophobicContact CD1-CG1 4.38Å; L196-T255 CarbonylContact O-C 3.59Å; L196-T255 WeakPolarHBondContact O-CA 3.24Å; L196-L256 HydrophobicContact CB-CB 4.18Å; L196-L256 PolarHBondContact N-O 3Å; L196-L256 PolarHBondContact O-N 3.09Å; L196-A258 HydrophobicContact CD1-CB 4.39Å; L196-A275 HydrophobicContact CD1-CB 3.6Å; L196-A275 HydrophobicContact CD2-CB 3.33Å; L196-A275 HydrophobicContact CG-CB 4.1Å; L196-V277 HydrophobicContact CD1-CG2 3.95Å
197T93.3Very high91.7Very high61 Ų6153.8 Ų53.837%0.37426%0.262SS..EExtended strand (participates in β ladder)trans-107.1132.6176.855.30000110.8P37P37-T197 PolarHBondContact O-N 2.87Å
198Q90.7Very high91.2Very high10 Ų1057.5 Ų57.55%0.04728%0.279CS..EExtended strand (participates in β ladder)trans-128.3137.7175.4-17317336.800109.5L36 D202 S253 V254 L256 E279L36-Q198 HydrophobicContact CD1-CB 4.23Å; L36-Q198 HydrophobicContact CD2-CB 4.13Å; L36-Q198 HydrophobicContact CD2-CG 4.04Å; Q198-D202 HydrophobicContact CG-CB 4.12Å; Q198-S253 CarbonylContact O-C 3.5Å; Q198-S253 VanDerWaalsContact O-CA 3.23Å; Q198-S253 WeakPolarHBondContact O-CA 3.44Å; Q198-S253 WeakPolarHBondContact O-CB 3.11Å; Q198-V254 HydrophobicContact CB-CG2 4.13Å; Q198-V254 PolarHBondContact N-O 2.94Å; Q198-V254 PolarHBondContact O-N 3.09Å; Q198-L256 HydrophobicContact CB-CD1 4.37Å; Q198-E279 PolarHBondContact NE2-OE1 2.84Å
199S91.4Very high90.5Very high40 Ų4055.8 Ų55.828%0.2827%0.274SS..EExtended strand (participates in β ladder)trans-61.1140.8175.4179.90000110.7Q201 D202 F203S199-Q201 PolarHBondContact O-N 3.14Å; S199-Q201 PolarHBondContact OG-N 3.14Å; S199-D202 PolarHBondContact O-N 3.01Å; S199-D202 VanDerWaalsContact O-N 3.13Å; S199-F203 PolarHBondContact O-N 3.41Å
200V88.8Confident89.9Confident36 Ų3656.6 Ų56.622%0.21828%0.28CS..Hα-helixtrans-56.8-35174.2170.60000111.7F203 L204 V247 G252 V254V200-F203 PolarHBondContact O-N 2.94Å; V200-L204 HydrophobicContact CG1-CD1 3.79Å; V200-L204 HydrophobicContact CG1-CG 4.08Å; V200-L204 WeakPolarHBondContact O-CB 2.91Å; V200-L204 VanDerWaalsContact O-CG 3.28Å; V200-L204 WeakPolarHBondContact O-CG 3.4Å; V200-L204 PolarHBondContact O-N 3.5Å; V200-V247 HydrophobicContact CG2-CB 4.18Å; V200-V247 HydrophobicContact CG2-CG1 3.51Å; V200-V247 HydrophobicContact CG2-CG2 3.56Å; V200-G252 VanDerWaalsContact CG2-O 3.28Å; V200-G252 WeakPolarHBondContact CG2-O 3.34Å; V200-G252 PolarHBondContact N-O 3.47Å; V200-G252 VanDerWaalsContact N-O 3.11Å; V200-V254 HydrophobicContact CG2-CG1 4.06Å
201Q89Confident89.4Confident151 Ų15157 Ų5771%0.70629%0.294SS*.Hα-helixtrans-63.5-43.7178.4-65.9-177.60.100111.6S199 R205S199-Q201 PolarHBondContact O-N 3.14Å; S199-Q201 PolarHBondContact OG-N 3.14Å; Q201-R205 WeakPolarHBondContact O-CB 3.1Å; Q201-R205 PolarHBondContact O-N 3.18Å
202D86.4Confident88.9Confident57 Ų5758.5 Ų58.531%0.30531%0.306SS..Hα-helixtrans-68.7-40.8178.1-64.2-27.4000111.3Q198 S199 R205 M206Q198-D202 HydrophobicContact CG-CB 4.12Å; S199-D202 PolarHBondContact O-N 3.01Å; S199-D202 VanDerWaalsContact O-N 3.13Å; D202-R205 PolarHBondContact O-N 3.48Å; D202-R205 IonicContact OD1-CZ 3.81Å; D202-R205 IonicContact OD1-NH1 3.57Å; D202-R205 PolarHBondContact OD1-NH1 2.84Å; D202-R205 IonicContact OD1-NH2 2.69Å; D202-R205 PolarHBondContact OD1-NH2 3.13Å; D202-M206 VanDerWaalsContact O-CB 3.31Å; D202-M206 WeakPolarHBondContact O-CB 3.08Å; D202-M206 PolarHBondContact O-N 3.13Å
203F84.5Confident88Confident64 Ų6460.9 Ų60.928%0.28133%0.331SS..Hα-helixtrans-62.3-45.6176.3-179.9-98.6000112.4S199 V200 M206 K207 V254S199-F203 PolarHBondContact O-N 3.41Å; V200-F203 PolarHBondContact O-N 2.94Å; F203-M206 PolarHBondContact O-N 2.94Å; F203-K207 WeakPolarHBondContact O-CB 3.38Å; F203-K207 PolarHBondContact O-N 2.94Å; F203-V254 HydrophobicContact CB-CG2 4Å; F203-V254 HydrophobicContact CD2-CG2 3.96Å; F203-V254 HydrophobicContact CG-CG2 3.95Å
204L86.8Confident87.1Confident85 Ų8563.4 Ų63.445%0.44534%0.344SS..Hα-helixtrans-65-44.5177.1-72.2176.3000111.4V200 M206 K207 E208V200-L204 HydrophobicContact CG1-CD1 3.79Å; V200-L204 HydrophobicContact CG1-CG 4.08Å; V200-L204 WeakPolarHBondContact O-CB 2.91Å; V200-L204 VanDerWaalsContact O-CG 3.28Å; V200-L204 WeakPolarHBondContact O-CG 3.4Å; V200-L204 PolarHBondContact O-N 3.5Å; L204-M206 VanDerWaalsContact C-N 3.34Å; L204-M206 PolarHBondContact O-N 2.91Å; L204-K207 WeakPolarHBondContact O-CB 3.34Å; L204-K207 PolarHBondContact O-N 3.47Å; L204-E208 WeakPolarHBondContact O-CG 3.38Å; L204-E208 PolarHBondContact O-N 2.9Å
205R85.8Confident86.1Confident119 Ų11963.6 Ų63.645%0.44935%0.345SS..Hα-helixtrans-58.2-46.8174.9-176.7177.665.2-108.80.1111.3Q201 D202 K207 E208 E209Q201-R205 WeakPolarHBondContact O-CB 3.1Å; Q201-R205 PolarHBondContact O-N 3.18Å; D202-R205 PolarHBondContact O-N 3.48Å; D202-R205 IonicContact OD1-CZ 3.81Å; D202-R205 IonicContact OD1-NH1 3.57Å; D202-R205 PolarHBondContact OD1-NH1 2.84Å; D202-R205 IonicContact OD1-NH2 2.69Å; D202-R205 PolarHBondContact OD1-NH2 3.13Å; R205-K207 VanDerWaalsContact C-N 3.32Å; R205-K207 PolarHBondContact O-N 2.69Å; R205-E208 PolarHBondContact O-N 3.43Å; R205-E209 HydrophobicContact CG-CG 4.49Å; R205-E209 WeakPolarHBondContact CG-OE1 3.47Å; R205-E209 WeakPolarHBondContact O-CG 3.32Å; R205-E209 PolarHBondContact O-N 2.91Å
206M82.8Confident85.1Confident22 Ų2268.7 Ų68.711%0.10837%0.366CS..Hα-helixtrans-58.2-45.2175.8178.156.155.500111.5V32 D202 F203 L204 E208 E209 V210 I215 E279V32-M206 HydrophobicContact CG1-CE 4.4Å; D202-M206 VanDerWaalsContact O-CB 3.31Å; D202-M206 WeakPolarHBondContact O-CB 3.08Å; D202-M206 PolarHBondContact O-N 3.13Å; F203-M206 PolarHBondContact O-N 2.94Å; L204-M206 VanDerWaalsContact C-N 3.34Å; L204-M206 PolarHBondContact O-N 2.91Å; M206-E208 VanDerWaalsContact C-N 3.32Å; M206-E208 PolarHBondContact O-N 2.89Å; M206-E209 PolarHBondContact O-N 2.9Å; M206-V210 HydrophobicContact CG-CG2 4.48Å; M206-V210 WeakPolarHBondContact O-CB 3.49Å; M206-V210 VanDerWaalsContact O-CG2 3.27Å; M206-V210 WeakPolarHBondContact O-CG2 3.43Å; M206-V210 PolarHBondContact O-N 2.88Å; M206-V210 HydrophobicContact SD-CG2 3.91Å; M206-I215 HydrophobicContact CE-CD1 3.58Å; M206-I215 HydrophobicContact SD-CD1 3.53Å; M206-I215 VanDerWaalsContact SD-CD1 3.53Å; M206-I215 HydrophobicContact SD-CG2 4.4Å; M206-E279 HydrophobicContact CE-CB 3.83Å; M206-E279 HydrophobicContact CE-CG 4.12Å; M206-E279 WeakPolarHBondContact CE-OE2 3.25Å; M206-E279 HydrophobicContact SD-CB 4.2Å
207K83.3Confident84.1Confident136 Ų13673.5 Ų73.559%0.59139%0.388SS*.Hα-helixtrans-61.1-40.4178.1-172.6177.7178.9179.30112.2F203 L204 R205 A211F203-K207 WeakPolarHBondContact O-CB 3.38Å; F203-K207 PolarHBondContact O-N 2.94Å; L204-K207 WeakPolarHBondContact O-CB 3.34Å; L204-K207 PolarHBondContact O-N 3.47Å; R205-K207 VanDerWaalsContact C-N 3.32Å; R205-K207 PolarHBondContact O-N 2.69Å; K207-A211 VanDerWaalsContact O-CB 3.25Å; K207-A211 WeakPolarHBondContact O-CB 3.06Å; K207-A211 PolarHBondContact O-N 2.81Å
208E86.3Confident82.7Confident136 Ų13674.6 Ų74.664%0.63640%0.395SS*.Hα-helixtrans-67.2-43.1175.1-71.1174.1-174.400112.3L204 R205 M206 V210 A211 S212L204-E208 WeakPolarHBondContact O-CG 3.38Å; L204-E208 PolarHBondContact O-N 2.9Å; R205-E208 PolarHBondContact O-N 3.43Å; M206-E208 VanDerWaalsContact C-N 3.32Å; M206-E208 PolarHBondContact O-N 2.89Å; E208-V210 VanDerWaalsContact C-N 3.33Å; E208-V210 PolarHBondContact O-N 2.81Å; E208-A211 PolarHBondContact O-N 2.93Å; E208-S212 WeakPolarHBondContact O-CB 2.92Å; E208-S212 PolarHBondContact O-N 3.08Å; E208-S212 PolarHBondContact O-OG 2.96Å
209E82.6Confident81.1Confident28 Ų2883.4 Ų83.413%0.13144%0.436CS..Hα-helixtrans-65-35.4177.5-73.1-175.5-154.900112.3R205 M206 S212 G213 Q214 I215 R282R205-E209 HydrophobicContact CG-CG 4.49Å; R205-E209 WeakPolarHBondContact CG-OE1 3.47Å; R205-E209 WeakPolarHBondContact O-CG 3.32Å; R205-E209 PolarHBondContact O-N 2.91Å; M206-E209 PolarHBondContact O-N 2.9Å; E209-S212 WeakPolarHBondContact CA-OG 3.4Å; E209-S212 PolarHBondContact O-OG 2.85Å; E209-S212 VanDerWaalsContact O-OG 3.13Å; E209-G213 PolarHBondContact O-N 3.13Å; E209-Q214 HydrophobicContact CB-CB 4.44Å; E209-Q214 WeakPolarHBondContact O-CB 3.31Å; E209-Q214 PolarHBondContact O-N 3.22Å; E209-I215 HydrophobicContact CB-CD1 3.91Å; E209-I215 HydrophobicContact CB-CG1 4.07Å; E209-I215 PolarHBondContact O-N 2.8Å; E209-I215 VanDerWaalsContact O-N 3.08Å; E209-I215 WeakPolarHBondContact OE2-CD1 3.4Å; E209-R282 IonicContact OE1-NH2 3.15Å; E209-R282 IonicContact OE2-CZ 3.35Å; E209-R282 IonicContact OE2-NE 3.33Å; E209-R282 IonicContact OE2-NH2 2.79Å; E209-R282 PolarHBondContact OE2-NH2 2.87Å
210V83.1Confident79.7Confident44 Ų4484.9 Ų84.927%0.26746%0.458SS..Hα-helixtrans-72.5-43.9173.7173.70000111.1M206 E208 S212 G213 I215 Q217M206-V210 HydrophobicContact CG-CG2 4.48Å; M206-V210 WeakPolarHBondContact O-CB 3.49Å; M206-V210 VanDerWaalsContact O-CG2 3.27Å; M206-V210 WeakPolarHBondContact O-CG2 3.43Å; M206-V210 PolarHBondContact O-N 2.88Å; M206-V210 HydrophobicContact SD-CG2 3.91Å; E208-V210 VanDerWaalsContact C-N 3.33Å; E208-V210 PolarHBondContact O-N 2.81Å; V210-S212 VanDerWaalsContact C-N 3.32Å; V210-S212 PolarHBondContact O-N 3.46Å; V210-G213 PolarHBondContact O-N 3.4Å; V210-I215 HydrophobicContact CG2-CB 4.02Å; V210-I215 HydrophobicContact CG2-CG2 4.02Å; V210-Q217 HydrophobicContact CG1-CG 4.37Å; V210-Q217 HydrophobicContact CG2-CG 3.86Å
211A85.2Confident78.9Confident89 Ų8986.1 Ų86.174%0.73647%0.468SS*.Hα-helixtrans-65.7-34.5179.700000112.9K207 E208 G213K207-A211 VanDerWaalsContact O-CB 3.25Å; K207-A211 WeakPolarHBondContact O-CB 3.06Å; K207-A211 PolarHBondContact O-N 2.81Å; E208-A211 PolarHBondContact O-N 2.93Å; A211-G213 PolarHBondContact O-N 3.27Å
212S85.2Confident78.7Confident72 Ų7280.3 Ų80.350%0.50344%0.443SS..THydrogen-bonded Turntrans-77.4-7.6173.958.70000113.6E208 E209 V210 Q214E208-S212 WeakPolarHBondContact O-CB 2.92Å; E208-S212 PolarHBondContact O-N 3.08Å; E208-S212 PolarHBondContact O-OG 2.96Å; E209-S212 WeakPolarHBondContact CA-OG 3.4Å; E209-S212 PolarHBondContact O-OG 2.85Å; E209-S212 VanDerWaalsContact O-OG 3.13Å; V210-S212 VanDerWaalsContact C-N 3.32Å; V210-S212 PolarHBondContact O-N 3.46Å; S212-Q214 VanDerWaalsContact C-N 3.27Å; S212-Q214 PolarHBondContact O-N 2.91Å; S212-Q214 WeakPolarHBondContact OG-CG 3Å
213G79.5Confident78.8Confident50 Ų5079.7 Ų79.752%0.51544%0.442SS..THydrogen-bonded Turntrans76.49.2-178.800000114.5E209 V210 A211 I215E209-G213 PolarHBondContact O-N 3.13Å; V210-G213 PolarHBondContact O-N 3.4Å; A211-G213 PolarHBondContact O-N 3.27Å; G213-I215 VanDerWaalsContact C-N 3.33Å
214Q76.6Confident79.3Confident100 Ų10076.7 Ų76.747%0.46743%0.428SS..SBendtrans-65.6-40.1174.2-66.6-179.121.700110.8E209 S212 R282 Q283E209-Q214 HydrophobicContact CB-CB 4.44Å; E209-Q214 WeakPolarHBondContact O-CB 3.31Å; E209-Q214 PolarHBondContact O-N 3.22Å; S212-Q214 VanDerWaalsContact C-N 3.27Å; S212-Q214 PolarHBondContact O-N 2.91Å; S212-Q214 WeakPolarHBondContact OG-CG 3Å; Q214-R282 CarbonylContact O-C 3.59Å; Q214-R282 VanDerWaalsContact O-CA 3.25Å; Q214-R282 WeakPolarHBondContact O-CA 3.4Å; Q214-R282 WeakPolarHBondContact O-CG 3.34Å; Q214-Q283 PolarHBondContact O-N 2.75Å
215I76.5Confident79.7Confident3 Ų375.3 Ų75.32%0.01542%0.42CS..EExtended strand (participates in β ladder)trans-104.5122173-67178.9000109.6V32 M206 E209 V210 G213 Q217 E279 R282V32-I215 HydrophobicContact CG1-CD1 4.46Å; V32-I215 HydrophobicContact CG2-CD1 4.17Å; V32-I215 HydrophobicContact CG2-CG1 4.41Å; M206-I215 HydrophobicContact CE-CD1 3.58Å; M206-I215 HydrophobicContact SD-CD1 3.53Å; M206-I215 VanDerWaalsContact SD-CD1 3.53Å; M206-I215 HydrophobicContact SD-CG2 4.4Å; E209-I215 HydrophobicContact CB-CD1 3.91Å; E209-I215 HydrophobicContact CB-CG1 4.07Å; E209-I215 PolarHBondContact O-N 2.8Å; E209-I215 VanDerWaalsContact O-N 3.08Å; E209-I215 WeakPolarHBondContact OE2-CD1 3.4Å; V210-I215 HydrophobicContact CG2-CB 4.02Å; V210-I215 HydrophobicContact CG2-CG2 4.02Å; G213-I215 VanDerWaalsContact C-N 3.33Å; I215-Q217 HydrophobicContact CG2-CG 4.35Å; I215-E279 WeakPolarHBondContact CG2-O 3.26Å; I215-R282 HydrophobicContact CG1-CB 4.41Å
216K74.8Confident80.1Confident140 Ų14069.6 Ų69.661%0.60940%0.398SS*.EExtended strand (participates in β ladder)trans-92.4102.4168.4-168.2176.9-177.3-179.30108.6S281 Q283K216-S281 PolarHBondContact N-O 2.92Å; K216-S281 PolarHBondContact O-N 2.88Å; K216-S281 VanDerWaalsContact O-N 3.13Å; K216-Q283 HydrophobicContact CB-CG 3.94Å
217Q74.5Confident80.7Confident100 Ų10070.6 Ų70.647%0.46740%0.404SS..  trans-66.2143.2171.6-76.3-175.8-18.400110.6V210 I215 Q219V210-Q217 HydrophobicContact CG1-CG 4.37Å; V210-Q217 HydrophobicContact CG2-CG 3.86Å; I215-Q217 HydrophobicContact CG2-CG 4.35Å; Q217-Q219 PolarHBondContact O-N 3.41Å; Q217-Q219 VanDerWaalsContact O-N 3.16Å
218V63.6Low81.2Confident85 Ų8565.5 Ų65.552%0.51538%0.383SS..  trans-66.2113.2168.2-178.50000106.9G220V218-G220 PolarHBondContact O-N 2.9Å; V218-G220 VanDerWaalsContact O-N 3.08Å
219Q57.5Low81.4Confident195 Ų19566.5 Ų66.591%0.91139%0.388SS*.SBendtrans-59.6117.6175.4-72.8-173.4-0.700109.2Q217Q217-Q219 PolarHBondContact O-N 3.41Å; Q217-Q219 VanDerWaalsContact O-N 3.16Å
220G61.9Low81.7Confident71 Ų7170.3 Ų70.373%0.73241%0.409SS*.SBendtrans122.3-128.9176.800000113.3V218V218-G220 PolarHBondContact O-N 2.9Å; V218-G220 VanDerWaalsContact O-N 3.08Å
221S70.3Confident82Confident62 Ų6271.3 Ų71.343%0.43443%0.428SS..  trans-93.4102.9-169.2160.40000110.4P223 T239S221-P223 WeakPolarHBondContact O-CD 3.33Å; S221-T239 WeakPolarHBondContact OG-CG2 3.32Å; S221-T239 PolarHBondContact OG-OG1 3.02Å
222T85.1Confident82.3Confident29 Ų2974 Ų7418%0.17842%0.423CS..  trans-64.4115.7177-48.90000110.4L240 V277 D278T222-L240 PolarHBondContact O-N 3.36Å; T222-V277 HydrophobicContact CG2-CG1 3.96Å; T222-D278 WeakPolarHBondContact CG2-O 3.41Å
223P90.1Very high82.7Confident44 Ų4477 Ų7729%0.28642%0.424SS..EExtended strand (participates in β ladder)trans-69.3139.7179.129-32.7000110.1S221 T237 D278S221-P223 WeakPolarHBondContact O-CD 3.33Å; P223-T237 HydrophobicContact CB-CG2 3.96Å; P223-D278 HydrophobicContact CG-CB 4.15Å
224V93.6Very high83.4Confident0 Ų075.1 Ų75.10%040%0.401CS..EExtended strand (participates in β ladder)trans-127.5132.6178.2-171.90000109.1L196 G238 L240 A258 F260 A275 L276 V277L196-V224 HydrophobicContact CD1-CG1 4.38Å; V224-G238 PolarHBondContact N-O 2.83Å; V224-G238 PolarHBondContact O-N 2.95Å; V224-L240 HydrophobicContact CG2-CB 4.05Å; V224-A258 HydrophobicContact CB-CB 4.46Å; V224-A258 HydrophobicContact CG2-CB 4.21Å; V224-F260 HydrophobicContact CB-CE2 4.36Å; V224-F260 HydrophobicContact CB-CZ 3.76Å; V224-F260 HydrophobicContact CG1-CE2 4.31Å; V224-F260 HydrophobicContact CG1-CZ 3.76Å; V224-F260 VanDerWaalsContact O-CE1 3.25Å; V224-F260 WeakPolarHBondContact O-CE1 3.23Å; V224-F260 WeakPolarHBondContact O-CZ 3.39Å; V224-A275 HydrophobicContact CG1-CB 3.64Å; V224-L276 WeakPolarHBondContact CA-O 3.47Å; V224-V277 HydrophobicContact CG1-CG2 4.04Å; V224-V277 HydrophobicContact CG2-CG1 4.5Å; V224-V277 HydrophobicContact CG2-CG2 4.27Å
225Q94.7Very high84.3Confident56 Ų5674.7 Ų74.726%0.26241%0.409SS..EExtended strand (participates in β ladder)trans-111.2144.1176.3-58.9158.1900108.3R233 A275 L276Q225-R233 VanDerWaalsContact CD-CZ 3.44Å; Q225-R233 VanDerWaalsContact NE2-NH2 3.15Å; Q225-A275 CarbonylContact O-C 3.58Å; Q225-A275 WeakPolarHBondContact O-CA 3.28Å; Q225-L276 HydrophobicContact CB-CB 4.22Å; Q225-L276 PolarHBondContact N-O 2.97Å; Q225-L276 PolarHBondContact O-N 3.17Å
226L95.9Very high85.1Confident0 Ų078.2 Ų78.20%043%0.425CS..EExtended strand (participates in β ladder)trans-109.7137.1178.6-60.1174000110.9V194 R233 Y234 F260 L267 V273 A275V194-L226 HydrophobicContact CG1-CD2 4.35Å; V194-L226 HydrophobicContact CG2-CD1 3.95Å; V194-L226 HydrophobicContact CG2-CD2 4.49Å; L226-R233 WeakPolarHBondContact O-CA 3.46Å; L226-Y234 HydrophobicContact CD1-CD1 4.42Å; L226-Y234 PolarHBondContact O-N 3.39Å; L226-F260 HydrophobicContact CD1-CD1 3.75Å; L226-F260 HydrophobicContact CD1-CD2 3.93Å; L226-F260 HydrophobicContact CD1-CE1 3.64Å; L226-F260 HydrophobicContact CD1-CE2 3.82Å; L226-F260 HydrophobicContact CD1-CG 3.9Å; L226-F260 HydrophobicContact CD1-CZ 3.68Å; L226-F260 HydrophobicContact CD2-CE1 4.24Å; L226-F260 HydrophobicContact CD2-CE2 3.88Å; L226-F260 HydrophobicContact CD2-CZ 3.59Å; L226-F260 HydrophobicContact CG-CD1 4.1Å; L226-F260 HydrophobicContact CG-CD2 4.48Å; L226-F260 HydrophobicContact CG-CE1 3.45Å; L226-F260 VanDerWaalsContact CG-CE1 3.45Å; L226-F260 HydrophobicContact CG-CE2 3.88Å; L226-F260 HydrophobicContact CG-CZ 3.34Å; L226-L267 HydrophobicContact CD1-CD1 4.13Å; L226-V273 HydrophobicContact CD2-CB 4.38Å; L226-V273 HydrophobicContact CD2-CG2 4.09Å; L226-A275 HydrophobicContact CD2-CB 3.87Å
227N94.8Very high86Confident43 Ų4375.1 Ų75.123%0.2342%0.418CS..EExtended strand (participates in β ladder)trans-102125.2159.6-65.6-26.3000107.8T274N227-T274 PolarHBondContact N-O 2.95Å; N227-T274 PolarHBondContact O-N 2.8Å
228L94.5Very high86.9Confident28 Ų2870.4 Ų70.415%0.14740%0.397CS..EExtended strand (participates in β ladder)trans-79.3158.9176.3-53.9179.7000109.4N230 G231 K232 L267 M271 V273L228-N230 WeakPolarHBondContact CB-OD1 3.39Å; L228-N230 PolarHBondContact O-N 3.42Å; L228-G231 PolarHBondContact O-N 2.86Å; L228-K232 WeakPolarHBondContact CB-O 3.44Å; L228-K232 PolarHBondContact N-O 3.45Å; L228-L267 HydrophobicContact CD2-CD2 3.65Å; L228-M271 HydrophobicContact CD2-CE 4.49Å; L228-V273 HydrophobicContact CD2-CG1 4.13Å
229E89.8Confident88.3Confident158 Ų15867.9 Ų67.974%0.73838%0.382SS*.THydrogen-bonded Turntrans-57.8-25.4-179.5-170.2174.8-172.300113.6G231E229-G231 PolarHBondContact O-N 3Å
230N89.2Confident89.9Confident107 Ų10760.5 Ų60.557%0.57235%0.348SS*.THydrogen-bonded Turntrans-77.17.4174.366.812.4000114.1L228 K232L228-N230 WeakPolarHBondContact CB-OD1 3.39Å; L228-N230 PolarHBondContact O-N 3.42Å; N230-K232 PolarHBondContact O-N 3.43Å; N230-K232 VanDerWaalsContact OD1-CB 3.23Å; N230-K232 WeakPolarHBondContact OD1-CB 3.42Å; N230-K232 PolarHBondContact OD1-N 2.87Å
231G88.2Confident91Very high66 Ų6663.7 Ų63.768%0.6834%0.342SS*.SBendtrans76.3-3.9-178.200000114.6L228 E229L228-G231 PolarHBondContact O-N 2.86Å; E229-G231 PolarHBondContact O-N 3Å
232K91.6Very high91.2Very high144 Ų14466 Ų6663%0.62634%0.344SS*.PPolyproline II helixtrans-80.9142.5175-62.5-173.7178.2-178.80110.2L228 N230L228-K232 WeakPolarHBondContact CB-O 3.44Å; L228-K232 PolarHBondContact N-O 3.45Å; N230-K232 PolarHBondContact O-N 3.43Å; N230-K232 VanDerWaalsContact OD1-CB 3.23Å; N230-K232 WeakPolarHBondContact OD1-CB 3.42Å; N230-K232 PolarHBondContact OD1-N 2.87Å
233R93.4Very high90.6Very high136 Ų13666.5 Ų66.551%0.51335%0.349SS..BIsolated β-bridgetrans-79135.9171.6-177.4165.1166.7143.5-12.4110.8Q225 L226Q225-R233 VanDerWaalsContact CD-CZ 3.44Å; Q225-R233 VanDerWaalsContact NE2-NH2 3.15Å; L226-R233 WeakPolarHBondContact O-CA 3.46Å
234Y95.5Very high90.1Very high11 Ų1167.2 Ų67.24%0.04335%0.351CS..PPolyproline II helixtrans-69.4138.7172.9-170-125.3000110.5L226 Q236 F260 P261 D266 L267L226-Y234 HydrophobicContact CD1-CD1 4.42Å; L226-Y234 PolarHBondContact O-N 3.39Å; Y234-Q236 HydrophobicContact CD1-CB 4.05Å; Y234-Q236 WeakPolarHBondContact CD1-O 3.44Å; Y234-Q236 HydrophobicContact CE1-CB 3.57Å; Y234-Q236 HydrophobicContact CE1-CG 4Å; Y234-F260 HydrophobicContact CD1-CD1 4.17Å; Y234-F260 HydrophobicContact CE1-CD1 4.37Å; Y234-P261 PolarHBondContact OH-O 3.41Å; Y234-D266 HydrophobicContact CE2-CB 4.01Å; Y234-L267 HydrophobicContact CD1-CD1 4.06Å; Y234-L267 HydrophobicContact CD2-CD2 4.18Å; Y234-L267 HydrophobicContact CD2-CG 4.35Å; Y234-L267 HydrophobicContact CE1-CD1 3.6Å; Y234-L267 HydrophobicContact CE1-CG 4.17Å; Y234-L267 HydrophobicContact CE2-CD1 4.3Å; Y234-L267 HydrophobicContact CE2-CD2 4.26Å; Y234-L267 HydrophobicContact CE2-CG 3.95Å; Y234-L267 HydrophobicContact CG-CD2 4.43Å
235S94.1Very high89.3Confident90 Ų9072.6 Ų72.663%0.62939%0.385SS*.SBendtrans-72.9-30-171.356.50000113.3
236Q93.9Very high88.7Confident77 Ų7774.4 Ų74.436%0.3640%0.4SS..SBendtrans-91.6142.8-179.3-53.9-64.3-28.200111Y234Y234-Q236 HydrophobicContact CD1-CB 4.05Å; Y234-Q236 WeakPolarHBondContact CD1-O 3.44Å; Y234-Q236 HydrophobicContact CE1-CB 3.57Å; Y234-Q236 HydrophobicContact CE1-CG 4Å
237T93.3Very high88.3Confident75 Ų7577.4 Ų77.446%0.4642%0.419SS..  trans-91.9133.7171.6-58.60000109.1P223P223-T237 HydrophobicContact CB-CG2 3.96Å
238G94.2Very high88.1Confident2 Ų278.7 Ų78.72%0.02143%0.426CS..EExtended strand (participates in β ladder)trans-98.9-176.5176.300000111.9V224 I259 F260V224-G238 PolarHBondContact N-O 2.83Å; V224-G238 PolarHBondContact O-N 2.95Å; G238-I259 CarbonylContact C-O 3.51Å; G238-I259 WeakPolarHBondContact CA-O 3.42Å; G238-F260 VanDerWaalsContact N-CD1 3.34Å
239T92.9Very high87.9Confident32 Ų3286.7 Ų86.720%0.19646%0.462CS..EExtended strand (participates in β ladder)trans-134.6131.1-177.4-67.40000109.5S221 K241 A258 I259S221-T239 WeakPolarHBondContact OG-CG2 3.32Å; S221-T239 PolarHBondContact OG-OG1 3.02Å; T239-K241 HydrophobicContact CG2-CD 4.01Å; T239-K241 HydrophobicContact CG2-CG 4.34Å; T239-K241 PolarHBondContact O-N 3.13Å; T239-A258 CarbonylContact O-C 3.57Å; T239-A258 VanDerWaalsContact O-CA 3.25Å; T239-A258 WeakPolarHBondContact O-CA 3.46Å; T239-I259 PolarHBondContact N-O 2.95Å; T239-I259 PolarHBondContact O-N 3.22Å
240L90.6Very high88Confident40 Ų4085.2 Ų85.221%0.20946%0.464CS..EExtended strand (participates in β ladder)trans-67.8124.2167.1-170.165.5000109.5T222 V224 L256 A258T222-L240 PolarHBondContact O-N 3.36Å; V224-L240 HydrophobicContact CG2-CB 4.05Å; L240-L256 HydrophobicContact CD1-CB 3.95Å; L240-A258 HydrophobicContact CD1-CB 4.49Å
241K85.3Confident88.1Confident137 Ų13784.3 Ų84.360%0.59646%0.463SS*.EExtended strand (participates in β ladder)trans-110.5-38.3-176.1-73.9-65.9-174.9-173.50113.5T239 R257 I259T239-K241 HydrophobicContact CG2-CD 4.01Å; T239-K241 HydrophobicContact CG2-CG 4.34Å; T239-K241 PolarHBondContact O-N 3.13Å; K241-R257 PolarHBondContact N-O 3.11Å; K241-I259 HydrophobicContact CD-CG2 4.15Å; K241-I259 HydrophobicContact CG-CB 4.07Å; K241-I259 HydrophobicContact CG-CG2 3.48Å; K241-I259 VanDerWaalsContact CG-CG2 3.48Å
242F73.5Confident88.2Confident110 Ų11082.8 Ų82.848%0.48245%0.447SS..EExtended strand (participates in β ladder)trans-149.1146.7-168.4178.6-105.6000110.7D244 R257F242-D244 HydrophobicContact CE1-CB 3.91Å; F242-R257 HydrophobicContact CB-CB 4.36Å; F242-R257 PolarHBondContact N-O 3.23Å; F242-R257 PolarHBondContact O-N 2.79Å
243S74.3Confident88.2Confident41 Ų4177 Ų7729%0.28742%0.424SS..EExtended strand (participates in β ladder)trans-117.1123.5165.2177.80000106.4P245 L256S243-P245 WeakPolarHBondContact O-CD 3.36Å; S243-L256 VanDerWaalsContact CB-CD2 3.46Å; S243-L256 VanDerWaalsContact OG-CD2 3.23Å; S243-L256 WeakPolarHBondContact OG-CD2 3.43Å
244D77.9Confident88.1Confident59 Ų5970.7 Ų70.732%0.31640%0.401SS..EExtended strand (participates in β ladder)trans-64.6126.6169-160.4-44.7000108.1F242 T246 T255F242-D244 HydrophobicContact CE1-CB 3.91Å; D244-T246 PolarHBondContact O-N 3.39Å; D244-T246 WeakPolarHBondContact OD1-CB 3.41Å; D244-T246 PolarHBondContact OD1-N 2.84Å; D244-T246 PolarHBondContact OD1-OG1 3.04Å; D244-T255 PolarHBondContact N-O 3.28Å
245P77.1Confident88Confident112 Ų11272.3 Ų72.373%0.72741%0.412SS*.EExtended strand (participates in β ladder)trans-71.8-9.1175.930.5-36.6000112.8S243S243-P245 WeakPolarHBondContact O-CD 3.36Å
246T83.1Confident87.9Confident94 Ų9468.5 Ų68.558%0.57739%0.385SS*.EExtended strand (participates in β ladder)trans-86131.9-177.7-41.80000110.5D244D244-T246 PolarHBondContact O-N 3.39Å; D244-T246 WeakPolarHBondContact OD1-CB 3.41Å; D244-T246 PolarHBondContact OD1-N 2.84Å; D244-T246 PolarHBondContact OD1-OG1 3.04Å
247V87.1Confident87.9Confident63 Ų6368.7 Ų68.738%0.38238%0.382SS..EExtended strand (participates in β ladder)trans-88131.3170.6177.90000108.4V200 E249 V254V200-V247 HydrophobicContact CG2-CB 4.18Å; V200-V247 HydrophobicContact CG2-CG1 3.51Å; V200-V247 HydrophobicContact CG2-CG2 3.56Å; V247-E249 PolarHBondContact O-N 3.35Å; V247-V254 HydrophobicContact CG2-CG1 3.93Å
248D90.7Very high87.9Confident70 Ų7065.1 Ų65.137%0.37436%0.36SS..EExtended strand (participates in β ladder)trans-70.6115169.3-179.6-68.9000109.5T250 T251 G252 S253D248-T250 PolarHBondContact O-N 2.61Å; D248-T250 WeakPolarHBondContact OD1-CA 3.5Å; D248-T250 WeakPolarHBondContact OD1-CB 3.38Å; D248-T250 PolarHBondContact OD1-N 2.92Å; D248-T250 PolarHBondContact OD1-OG1 3.48Å; D248-T251 WeakPolarHBondContact CB-OG1 3.25Å; D248-T251 PolarHBondContact O-N 2.92Å; D248-T251 PolarHBondContact OD1-N 3.19Å; D248-T251 PolarHBondContact OD1-OG1 3.44Å; D248-G252 WeakPolarHBondContact O-CA 3.33Å; D248-G252 PolarHBondContact O-N 3.1Å; D248-S253 PolarHBondContact N-O 3.23Å
249E90Very high88Confident196 Ų19666.5 Ų66.592%0.91637%0.367SS*.THydrogen-bonded Turntrans-64.5-23.7-174.8-63.2-176.5174.400113.3V247V247-E249 PolarHBondContact O-N 3.35Å
250T92.7Very high88.2Confident127 Ų12765 Ų6578%0.77936%0.358SS*.THydrogen-bonded Turntrans-82.9-32.1-178.169.40000112.4D248D248-T250 PolarHBondContact O-N 2.61Å; D248-T250 WeakPolarHBondContact OD1-CA 3.5Å; D248-T250 WeakPolarHBondContact OD1-CB 3.38Å; D248-T250 PolarHBondContact OD1-N 2.92Å; D248-T250 PolarHBondContact OD1-OG1 3.48Å
251T91.1Very high88.5Confident89 Ų8965.6 Ų65.655%0.54636%0.364SS..THydrogen-bonded Turntrans-110.6-13-174.760.40000114D248 S253D248-T251 WeakPolarHBondContact CB-OG1 3.25Å; D248-T251 PolarHBondContact O-N 2.92Å; D248-T251 PolarHBondContact OD1-N 3.19Å; D248-T251 PolarHBondContact OD1-OG1 3.44Å; T251-S253 VanDerWaalsContact C-N 3.26Å; T251-S253 PolarHBondContact O-N 3.04Å; T251-S253 PolarHBondContact O-OG 3.4Å
252G90.6Very high89.1Confident34 Ų3459.2 Ų59.235%0.35134%0.336SS..THydrogen-bonded Turntrans62.433.5-176.400000113V200 D248V200-G252 VanDerWaalsContact CG2-O 3.28Å; V200-G252 WeakPolarHBondContact CG2-O 3.34Å; V200-G252 PolarHBondContact N-O 3.47Å; V200-G252 VanDerWaalsContact N-O 3.11Å; D248-G252 WeakPolarHBondContact O-CA 3.33Å; D248-G252 PolarHBondContact O-N 3.1Å
253S91.5Very high90.1Very high21 Ų2157.8 Ų57.815%0.14734%0.338CS..EExtended strand (participates in β ladder)trans-126152.5-173.7-61.50000111.8Q198 D248 T251Q198-S253 CarbonylContact O-C 3.5Å; Q198-S253 VanDerWaalsContact O-CA 3.23Å; Q198-S253 WeakPolarHBondContact O-CA 3.44Å; Q198-S253 WeakPolarHBondContact O-CB 3.11Å; D248-S253 PolarHBondContact N-O 3.23Å; T251-S253 VanDerWaalsContact C-N 3.26Å; T251-S253 PolarHBondContact O-N 3.04Å; T251-S253 PolarHBondContact O-OG 3.4Å
254V91Very high90.9Very high5 Ų561.4 Ų61.43%0.0335%0.354CS..EExtended strand (participates in β ladder)trans-99.3148.4170.2-660000110.1Q198 V200 F203 V247Q198-V254 HydrophobicContact CB-CG2 4.13Å; Q198-V254 PolarHBondContact N-O 2.94Å; Q198-V254 PolarHBondContact O-N 3.09Å; V200-V254 HydrophobicContact CG2-CG1 4.06Å; F203-V254 HydrophobicContact CB-CG2 4Å; F203-V254 HydrophobicContact CD2-CG2 3.96Å; F203-V254 HydrophobicContact CG-CG2 3.95Å; V247-V254 HydrophobicContact CG2-CG1 3.93Å
255T92.8Very high91.6Very high44 Ų4460.1 Ų60.127%0.2736%0.355SS..EExtended strand (participates in β ladder)trans-98.9121.5176.6-58.60000110.5D195 L196 D244D195-T255 HydrophobicContact CB-CG2 3.89Å; L196-T255 CarbonylContact O-C 3.59Å; L196-T255 WeakPolarHBondContact O-CA 3.24Å; D244-T255 PolarHBondContact N-O 3.28Å
256L91.6Very high92.3Very high11 Ų1158.9 Ų58.96%0.05834%0.342CS..EExtended strand (participates in β ladder)trans-101.9130.9172.8-62.2-175.8000109.1L36 L196 Q198 L240 S243L36-L256 HydrophobicContact CD1-CD1 3.81Å; L196-L256 HydrophobicContact CB-CB 4.18Å; L196-L256 PolarHBondContact N-O 3Å; L196-L256 PolarHBondContact O-N 3.09Å; Q198-L256 HydrophobicContact CB-CD1 4.37Å; L240-L256 HydrophobicContact CD1-CB 3.95Å; S243-L256 VanDerWaalsContact CB-CD2 3.46Å; S243-L256 VanDerWaalsContact OG-CD2 3.23Å; S243-L256 WeakPolarHBondContact OG-CD2 3.43Å
257R94.1Very high92.9Very high81 Ų8154.4 Ų54.431%0.30632%0.315SS..EExtended strand (participates in β ladder)trans-108.3118.5179.7-179.6166.7-72.5172.31.4111.4Y193 D195 K241 F242Y193-R257 HydrophobicContact CD1-CG 3.71Å; Y193-R257 HydrophobicContact CE1-CG 4.26Å; Y193-R257 HydrophobicContact CG-CG 4.1Å; D195-R257 IonicContact OD1-CZ 3.86Å; D195-R257 IonicContact OD1-NE 2.78Å; D195-R257 PolarHBondContact OD1-NE 3.29Å; D195-R257 IonicContact OD1-NH2 3.75Å; D195-R257 PolarHBondContact OD1-NH2 2.83Å; D195-R257 VanDerWaalsContact OD1-NH2 3.15Å; D195-R257 IonicContact OD2-CZ 3.52Å; D195-R257 IonicContact OD2-NE 3.57Å; D195-R257 IonicContact OD2-NH2 2.7Å; D195-R257 PolarHBondContact OD2-NH2 2.81Å; K241-R257 PolarHBondContact N-O 3.11Å; F242-R257 HydrophobicContact CB-CB 4.36Å; F242-R257 PolarHBondContact N-O 3.23Å; F242-R257 PolarHBondContact O-N 2.79Å
258A94.8Very high93.2Very high0 Ų056.1 Ų56.10%032%0.321CS..EExtended strand (participates in β ladder)trans-103.6153.6169.900000111.1Y193 V194 L196 V224 T239 L240 F260Y193-A258 CarbonylContact C-O 3.57Å; Y193-A258 WeakPolarHBondContact CA-O 3.31Å; V194-A258 PolarHBondContact N-O 3.33Å; V194-A258 PolarHBondContact O-N 2.85Å; L196-A258 HydrophobicContact CD1-CB 4.39Å; V224-A258 HydrophobicContact CB-CB 4.46Å; V224-A258 HydrophobicContact CG2-CB 4.21Å; T239-A258 CarbonylContact O-C 3.57Å; T239-A258 VanDerWaalsContact O-CA 3.25Å; T239-A258 WeakPolarHBondContact O-CA 3.46Å; L240-A258 HydrophobicContact CD1-CB 4.49Å; A258-F260 HydrophobicContact CB-CD2 4.33Å; A258-F260 HydrophobicContact CB-CE2 3.68Å
259I95.9Very high93.3Very high31 Ų3154.8 Ų54.816%0.15932%0.317CS..EExtended strand (participates in β ladder)trans-116.6135.7175.6-166171.5000110Y43 P191 Y193 G238 T239 K241Y43-I259 HydrophobicContact CD2-CD1 4.11Å; Y43-I259 HydrophobicContact CE2-CD1 3.84Å; P191-I259 HydrophobicContact CB-CD1 3.96Å; P191-I259 HydrophobicContact CB-CG1 3.81Å; P191-I259 HydrophobicContact CG-CD1 3.72Å; P191-I259 HydrophobicContact CG-CG1 4.14Å; Y193-I259 HydrophobicContact CD1-CB 4.15Å; Y193-I259 HydrophobicContact CD1-CG1 4.17Å; Y193-I259 HydrophobicContact CE1-CB 4.18Å; Y193-I259 HydrophobicContact CE1-CD1 3.99Å; Y193-I259 HydrophobicContact CE1-CG1 4.09Å; G238-I259 CarbonylContact C-O 3.51Å; G238-I259 WeakPolarHBondContact CA-O 3.42Å; T239-I259 PolarHBondContact N-O 2.95Å; T239-I259 PolarHBondContact O-N 3.22Å; K241-I259 HydrophobicContact CD-CG2 4.15Å; K241-I259 HydrophobicContact CG-CB 4.07Å; K241-I259 HydrophobicContact CG-CG2 3.48Å; K241-I259 VanDerWaalsContact CG-CG2 3.48Å
260F96.9Very high93.6Very high0 Ų047.6 Ų47.60%030%0.295CS..EExtended strand (participates in β ladder)trans-128.1135.4-179.3-75.3-97.4000110.6P191 I192 V194 V224 L226 Y234 G238 A258 L267P191-F260 WeakPolarHBondContact CA-O 3.38Å; P191-F260 WeakPolarHBondContact CB-O 3.35Å; I192-F260 HydrophobicContact CG2-CB 4.07Å; I192-F260 PolarHBondContact N-O 2.82Å; I192-F260 PolarHBondContact O-N 2.88Å; V194-F260 HydrophobicContact CB-CD2 4.31Å; V194-F260 HydrophobicContact CB-CE2 4.25Å; V194-F260 HydrophobicContact CG2-CD2 3.64Å; V194-F260 HydrophobicContact CG2-CE2 3.93Å; V224-F260 HydrophobicContact CB-CE2 4.36Å; V224-F260 HydrophobicContact CB-CZ 3.76Å; V224-F260 HydrophobicContact CG1-CE2 4.31Å; V224-F260 HydrophobicContact CG1-CZ 3.76Å; V224-F260 VanDerWaalsContact O-CE1 3.25Å; V224-F260 WeakPolarHBondContact O-CE1 3.23Å; V224-F260 WeakPolarHBondContact O-CZ 3.39Å; L226-F260 HydrophobicContact CD1-CD1 3.75Å; L226-F260 HydrophobicContact CD1-CD2 3.93Å; L226-F260 HydrophobicContact CD1-CE1 3.64Å; L226-F260 HydrophobicContact CD1-CE2 3.82Å; L226-F260 HydrophobicContact CD1-CG 3.9Å; L226-F260 HydrophobicContact CD1-CZ 3.68Å; L226-F260 HydrophobicContact CD2-CE1 4.24Å; L226-F260 HydrophobicContact CD2-CE2 3.88Å; L226-F260 HydrophobicContact CD2-CZ 3.59Å; L226-F260 HydrophobicContact CG-CD1 4.1Å; L226-F260 HydrophobicContact CG-CD2 4.48Å; L226-F260 HydrophobicContact CG-CE1 3.45Å; L226-F260 VanDerWaalsContact CG-CE1 3.45Å; L226-F260 HydrophobicContact CG-CE2 3.88Å; L226-F260 HydrophobicContact CG-CZ 3.34Å; Y234-F260 HydrophobicContact CD1-CD1 4.17Å; Y234-F260 HydrophobicContact CE1-CD1 4.37Å; G238-F260 VanDerWaalsContact N-CD1 3.34Å; A258-F260 HydrophobicContact CB-CD2 4.33Å; A258-F260 HydrophobicContact CB-CE2 3.68Å; F260-L267 HydrophobicContact CB-CD1 4.19Å
261P97.4Very high93.7Very high52 Ų5244.2 Ų44.234%0.33827%0.271SS..  trans-60.7138.7163.3-16.630.2000109.6Y234Y234-P261 PolarHBondContact OH-O 3.41Å
262N96.9Very high93.9Very high3 Ų344.9 Ų44.92%0.01626%0.264CS..  trans-138.654.4179.1-173.431.9000111.8L189 D190 I192 N264 G265 D266 L267L189-N262 VanDerWaalsContact O-CB 3.29Å; L189-N262 WeakPolarHBondContact O-CB 3.27Å; L189-N262 PolarHBondContact O-ND2 2.98Å; D190-N262 PolarHBondContact OD1-N 3.04Å; I192-N262 HydrophobicContact CB-CB 4.28Å; I192-N262 HydrophobicContact CG2-CB 4.02Å; N262-N264 PolarHBondContact O-N 2.57Å; N262-G265 PolarHBondContact O-N 3.4Å; N262-G265 VanDerWaalsContact O-N 3.14Å; N262-G265 WeakPolarHBondContact OD1-CA 3.28Å; N262-G265 PolarHBondContact OD1-N 3.2Å; N262-D266 PolarHBondContact OD1-N 2.67Å; N262-D266 VanDerWaalsContact OD1-N 3.1Å; N262-L267 PolarHBondContact ND2-O 3.5Å; N262-L267 PolarHBondContact OD1-N 3.13Å
263P94.6Very high94.2Very high81 Ų8143.3 Ų43.353%0.52625%0.247SC..THydrogen-bonded Turntrans-64.6-26.9-171.326.7-36.4000113.7
264N92.1Very high94.5Very high117 Ų11744.1 Ų44.163%0.62625%0.251SS*.THydrogen-bonded Turntrans-92.9-8-179.3-60.1-27000113.3N262 D266N262-N264 PolarHBondContact O-N 2.57Å; N264-D266 VanDerWaalsContact C-N 3.27Å; N264-D266 WeakPolarHBondContact CB-OD2 3.42Å; N264-D266 PolarHBondContact ND2-OD2 2.61Å; N264-D266 PolarHBondContact O-N 2.72Å
265G91.6Very high94.7Very high32 Ų3243.9 Ų43.933%0.3325%0.25SC..  trans69.819.9-173.800000114.5N262 L267N262-G265 PolarHBondContact O-N 3.4Å; N262-G265 VanDerWaalsContact O-N 3.14Å; N262-G265 WeakPolarHBondContact OD1-CA 3.28Å; N262-G265 PolarHBondContact OD1-N 3.2Å; G265-L267 VanDerWaalsContact C-N 3.26Å; G265-L267 PolarHBondContact O-N 2.91Å
266D92.4Very high94.7Very high85 Ų8542.8 Ų42.846%0.45524%0.243SC..  trans-64.9-31.8179.9-64.9-39000112.1Y234 N262 N264Y234-D266 HydrophobicContact CE2-CB 4.01Å; N262-D266 PolarHBondContact OD1-N 2.67Å; N262-D266 VanDerWaalsContact OD1-N 3.1Å; N264-D266 VanDerWaalsContact C-N 3.27Å; N264-D266 WeakPolarHBondContact CB-OD2 3.42Å; N264-D266 PolarHBondContact ND2-OD2 2.61Å; N264-D266 PolarHBondContact O-N 2.72Å
267L94.6Very high94.6Very high0 Ų042.5 Ų42.50%024%0.241CC..SBendtrans-90.4113.3173.9-59.6177.5000109.2T40 I192 L226 L228 Y234 F260 N262 G265T40-L267 HydrophobicContact CG2-CB 4.4Å; T40-L267 HydrophobicContact CG2-CD2 4.5Å; I192-L267 HydrophobicContact CD1-CB 3.97Å; I192-L267 WeakPolarHBondContact CD1-O 3.45Å; I192-L267 HydrophobicContact CG2-CB 4.04Å; I192-L267 HydrophobicContact CG2-CD1 3.57Å; I192-L267 HydrophobicContact CG2-CG 4.46Å; L226-L267 HydrophobicContact CD1-CD1 4.13Å; L228-L267 HydrophobicContact CD2-CD2 3.65Å; Y234-L267 HydrophobicContact CD1-CD1 4.06Å; Y234-L267 HydrophobicContact CD2-CD2 4.18Å; Y234-L267 HydrophobicContact CD2-CG 4.35Å; Y234-L267 HydrophobicContact CE1-CD1 3.6Å; Y234-L267 HydrophobicContact CE1-CG 4.17Å; Y234-L267 HydrophobicContact CE2-CD1 4.3Å; Y234-L267 HydrophobicContact CE2-CD2 4.26Å; Y234-L267 HydrophobicContact CE2-CG 3.95Å; Y234-L267 HydrophobicContact CG-CD2 4.43Å; F260-L267 HydrophobicContact CB-CD1 4.19Å; N262-L267 PolarHBondContact ND2-O 3.5Å; N262-L267 PolarHBondContact OD1-N 3.13Å; G265-L267 VanDerWaalsContact C-N 3.26Å; G265-L267 PolarHBondContact O-N 2.91Å
268L93.6Very high94.3Very high99 Ų9940.4 Ų40.452%0.51824%0.236SC..  trans-95.6144.1173.7-59.5178.1000109.9T40 G270 M271T40-L268 PolarHBondContact OG1-O 3.3Å; L268-G270 PolarHBondContact O-N 3.46Å; L268-M271 HydrophobicContact CB-CG 4.15Å; L268-M271 HydrophobicContact CB-SD 3.83Å; L268-M271 HydrophobicContact CG-SD 4.35Å; L268-M271 PolarHBondContact N-SD 2.74Å; L268-M271 VanDerWaalsContact O-CG 3.28Å; L268-M271 WeakPolarHBondContact O-CG 3.37Å; L268-M271 PolarHBondContact O-N 2.85Å
269P94.3Very high93.6Very high43 Ų4341.3 Ų41.328%0.27924%0.24SC..THydrogen-bonded Turntrans-55.3136.8173.6-28.837.5000113.3P42 L189P42-P269 HydrophobicContact CB-CG 4.4Å; P42-P269 HydrophobicContact CG-CB 3.77Å; P42-P269 HydrophobicContact CG-CG 3.64Å; L189-P269 HydrophobicContact CD2-CG 3.36Å
270G94.7Very high92.9Very high44 Ų4439.9 Ų39.945%0.45423%0.234SC..THydrogen-bonded Turntrans87.2-3.2177.900000115.2T40 L268T40-G270 PolarHBondContact O-N 3.46Å; T40-G270 PolarHBondContact OG1-N 2.83Å; T40-G270 VanDerWaalsContact OG1-N 3.13Å; L268-G270 PolarHBondContact O-N 3.46Å
271M95.4Very high92.2Very high56 Ų5640.9 Ų40.928%0.27624%0.24SC..  trans-62.3138.4172.6-72.4175.964.100110.8R39 T40 L228 L268R39-M271 VanDerWaalsContact CA-O 3.27Å; R39-M271 WeakPolarHBondContact CA-O 3.49Å; T40-M271 HydrophobicContact CG2-CB 4.29Å; T40-M271 PolarHBondContact N-O 3.09Å; T40-M271 PolarHBondContact OG1-N 3.27Å; T40-M271 PolarHBondContact OG1-O 2.79Å; L228-M271 HydrophobicContact CD2-CE 4.49Å; L268-M271 HydrophobicContact CB-CG 4.15Å; L268-M271 HydrophobicContact CB-SD 3.83Å; L268-M271 HydrophobicContact CG-SD 4.35Å; L268-M271 PolarHBondContact N-SD 2.74Å; L268-M271 VanDerWaalsContact O-CG 3.28Å; L268-M271 WeakPolarHBondContact O-CG 3.37Å; L268-M271 PolarHBondContact O-N 2.85Å
272Y96.2Very high91.5Very high104 Ų10440.7 Ų40.741%0.40823%0.233SC..EExtended strand (participates in β ladder)trans-78.6134.8168.3-175.7-98000109.8P37 G38P37-Y272 HydrophobicContact CB-CE2 4Å; P37-Y272 WeakPolarHBondContact CB-OH 3.5Å; G38-Y272 WeakPolarHBondContact O-CD2 3.28Å
273V96.5Very high90.8Very high0 Ų043.8 Ų43.80%025%0.247CC..EExtended strand (participates in β ladder)trans-139.7153.9179.6-65.30000109.9G38 T40 V194 L226 L228G38-V273 PolarHBondContact N-O 3.34Å; G38-V273 PolarHBondContact O-N 2.85Å; T40-V273 HydrophobicContact CG2-CG1 4.13Å; V194-V273 HydrophobicContact CG1-CG2 3.45Å; V194-V273 VanDerWaalsContact CG1-CG2 3.45Å; L226-V273 HydrophobicContact CD2-CB 4.38Å; L226-V273 HydrophobicContact CD2-CG2 4.09Å; L228-V273 HydrophobicContact CD2-CG1 4.13Å
274T96.6Very high90Very high38 Ų3846.2 Ų46.223%0.23326%0.256CS..EExtended strand (participates in β ladder)trans-109.6122.2169.7-57.40000108.4E35 N227E35-T274 HydrophobicContact CB-CG2 4.23Å; N227-T274 PolarHBondContact N-O 2.95Å; N227-T274 PolarHBondContact O-N 2.8Å
275A95.7Very high89.7Confident0 Ų041 Ų410%023%0.228CC..EExtended strand (participates in β ladder)trans-95.2132.6177.300000111.4E35 L36 L196 V224 Q225 L226 V277E35-A275 CarbonylContact C-O 3.53Å; E35-A275 VanDerWaalsContact CA-O 3.31Å; E35-A275 WeakPolarHBondContact CA-O 3.44Å; L36-A275 PolarHBondContact N-O 2.79Å; L36-A275 PolarHBondContact O-N 3Å; L196-A275 HydrophobicContact CD1-CB 3.6Å; L196-A275 HydrophobicContact CD2-CB 3.33Å; L196-A275 HydrophobicContact CG-CB 4.1Å; V224-A275 HydrophobicContact CG1-CB 3.64Å; Q225-A275 CarbonylContact O-C 3.58Å; Q225-A275 WeakPolarHBondContact O-CA 3.28Å; L226-A275 HydrophobicContact CD2-CB 3.87Å; A275-V277 HydrophobicContact CB-CG2 4.29Å
276L93Very high89.5Confident22 Ų2240.1 Ų40.112%0.11522%0.216CC..EExtended strand (participates in β ladder)trans-93.3105.9164.2-72161.5000107.5E35 V224 Q225E35-L276 HydrophobicContact CG-CD2 3.66Å; V224-L276 WeakPolarHBondContact CA-O 3.47Å; Q225-L276 HydrophobicContact CB-CB 4.22Å; Q225-L276 PolarHBondContact N-O 2.97Å; Q225-L276 PolarHBondContact O-N 3.17Å
277V90.3Very high89.4Confident4 Ų438 Ų382%0.02421%0.205CC..EExtended strand (participates in β ladder)trans-98.4126.2178.4-175.50000108.9L33 S34 L36 L196 T222 V224 A275 E279L33-V277 WeakPolarHBondContact CA-O 3.39Å; S34-V277 PolarHBondContact N-O 2.98Å; S34-V277 PolarHBondContact O-N 2.89Å; L36-V277 HydrophobicContact CD1-CG2 3.96Å; L36-V277 HydrophobicContact CG-CG2 4.38Å; L196-V277 HydrophobicContact CD1-CG2 3.95Å; T222-V277 HydrophobicContact CG2-CG1 3.96Å; V224-V277 HydrophobicContact CG1-CG2 4.04Å; V224-V277 HydrophobicContact CG2-CG1 4.5Å; V224-V277 HydrophobicContact CG2-CG2 4.27Å; A275-V277 HydrophobicContact CB-CG2 4.29Å; V277-E279 HydrophobicContact CG1-CG 4.22Å; V277-E279 PolarHBondContact O-N 3.44Å
278D86.1Confident89.3Confident37 Ų3738 Ų3820%0.19821%0.205CC..EExtended strand (participates in β ladder)trans-84.394.8173.7-172.3-13.3000110.2L33 T222 P223 G280L33-D278 HydrophobicContact CD2-CB 4.07Å; T222-D278 WeakPolarHBondContact CG2-O 3.41Å; P223-D278 HydrophobicContact CG-CB 4.15Å; D278-G280 PolarHBondContact O-N 2.79Å; D278-G280 VanDerWaalsContact O-N 3.13Å; D278-G280 PolarHBondContact OD1-N 2.9Å; D278-G280 VanDerWaalsContact OD1-N 3.09Å
279E80.4Confident89.2Confident19 Ų1933.6 Ų33.69%0.08918%0.182CC..EExtended strand (participates in β ladder)trans-75.63-176.9-62.9178.6146.200112.9V32 S34 Q198 M206 I215 V277V32-E279 HydrophobicContact CB-CB 4.35Å; V32-E279 HydrophobicContact CG1-CB 4.25Å; V32-E279 PolarHBondContact O-N 3.1Å; S34-E279 WeakPolarHBondContact CB-OE1 3.38Å; S34-E279 WeakPolarHBondContact CB-OE2 3.18Å; S34-E279 PolarHBondContact OG-OE1 2.88Å; S34-E279 PolarHBondContact OG-OE2 2.99Å; Q198-E279 PolarHBondContact NE2-OE1 2.84Å; M206-E279 HydrophobicContact CE-CB 3.83Å; M206-E279 HydrophobicContact CE-CG 4.12Å; M206-E279 WeakPolarHBondContact CE-OE2 3.25Å; M206-E279 HydrophobicContact SD-CB 4.2Å; I215-E279 WeakPolarHBondContact CG2-O 3.26Å; V277-E279 HydrophobicContact CG1-CG 4.22Å; V277-E279 PolarHBondContact O-N 3.44Å
280G81.4Confident89.1Confident2 Ų235.3 Ų35.32%0.02119%0.186CC..EExtended strand (participates in β ladder)trans107.7-156.2179.500000111.9N31 V32 D278N31-G280 CarbonylContact C-O 3.56Å; N31-G280 WeakPolarHBondContact CA-O 3.44Å; V32-G280 PolarHBondContact N-O 3.26Å; D278-G280 PolarHBondContact O-N 2.79Å; D278-G280 VanDerWaalsContact O-N 3.13Å; D278-G280 PolarHBondContact OD1-N 2.9Å; D278-G280 VanDerWaalsContact OD1-N 3.09Å
281S83Confident88.9Confident20 Ų2038 Ų3814%0.1419%0.186CC..EExtended strand (participates in β ladder)trans-120.8128.5-177.653.10000110.9V30 K216 Q283V30-S281 CarbonylContact O-C 3.57Å; V30-S281 WeakPolarHBondContact O-CA 3.36Å; K216-S281 PolarHBondContact N-O 2.92Å; K216-S281 PolarHBondContact O-N 2.88Å; K216-S281 VanDerWaalsContact O-N 3.13Å; S281-Q283 PolarHBondContact O-N 3.25Å; S281-Q283 PolarHBondContact OG-NE2 3.48Å
282R82.8Confident88.6Confident48 Ų4835.3 Ų35.318%0.18117%0.173CC..EExtended strand (participates in β ladder)trans-74.8121.2168.5-166.5175.9-72.3130.6-1.9108.2S29 V30 V32 E209 Q214 I215 V285S29-R282 WeakPolarHBondContact CA-O 3.46Å; V30-R282 PolarHBondContact N-O 3.34Å; V30-R282 VanDerWaalsContact N-O 3.09Å; V30-R282 PolarHBondContact O-N 3.21Å; V32-R282 HydrophobicContact CG2-CB 3.96Å; E209-R282 IonicContact OE1-NH2 3.15Å; E209-R282 IonicContact OE2-CZ 3.35Å; E209-R282 IonicContact OE2-NE 3.33Å; E209-R282 IonicContact OE2-NH2 2.79Å; E209-R282 PolarHBondContact OE2-NH2 2.87Å; Q214-R282 CarbonylContact O-C 3.59Å; Q214-R282 VanDerWaalsContact O-CA 3.25Å; Q214-R282 WeakPolarHBondContact O-CA 3.4Å; Q214-R282 WeakPolarHBondContact O-CG 3.34Å; I215-R282 HydrophobicContact CG1-CB 4.41Å; R282-V285 HydrophobicContact CB-CG2 3.93Å; R282-V285 HydrophobicContact CG-CG2 3.6Å
283Q81.3Confident88.4Confident68 Ų6831.1 Ų31.132%0.31816%0.158SC..EExtended strand (participates in β ladder)trans-94.6157.8-175.5-63.7-67.5-33.900110.5Q214 K216 S281 V285Q214-Q283 PolarHBondContact O-N 2.75Å; K216-Q283 HydrophobicContact CB-CG 3.94Å; S281-Q283 PolarHBondContact O-N 3.25Å; S281-Q283 PolarHBondContact OG-NE2 3.48Å; Q283-V285 VanDerWaalsContact C-N 3.26Å; Q283-V285 PolarHBondContact O-N 2.91Å
284N79.1Confident88.1Confident133 Ų13333.8 Ų33.871%0.71118%0.175SC*.EExtended strand (participates in β ladder)trans57.235.4177-59.4-35.9000114.3G28G28-N284 PolarHBondContact O-N 3.29Å
285V84Confident87.8Confident7 Ų737.7 Ų37.74%0.04219%0.19CC..EExtended strand (participates in β ladder)trans-85136.6176.2176.60000109.4G28 V30 R282 Q283 L287 V328G28-V285 PolarHBondContact N-O 3.2Å; G28-V285 PolarHBondContact O-N 2.64Å; G28-V285 VanDerWaalsContact O-N 3.09Å; V30-V285 HydrophobicContact CG2-CG1 4.5Å; R282-V285 HydrophobicContact CB-CG2 3.93Å; R282-V285 HydrophobicContact CG-CG2 3.6Å; Q283-V285 VanDerWaalsContact C-N 3.26Å; Q283-V285 PolarHBondContact O-N 2.91Å; V285-L287 HydrophobicContact CG1-CD2 4.23Å; V285-L287 HydrophobicContact CG1-CG 4.46Å; V285-V328 HydrophobicContact CG1-CB 3.98Å; V285-V328 HydrophobicContact CG1-CG1 3.32Å; V285-V328 HydrophobicContact CG1-CG2 4.03Å; V285-V328 HydrophobicContact CG2-CG1 4.39Å
286L88.9Confident87.5Confident14 Ų1440 Ų407%0.07320%0.203CC..EExtended strand (participates in β ladder)trans-90.9118.6167.5-60.3177.5000108.8L25 P27 V329 L333 A335L25-L286 HydrophobicContact CB-CD2 4.13Å; L25-L286 HydrophobicContact CD1-CB 4.37Å; L25-L286 HydrophobicContact CD1-CD1 4.23Å; P27-L286 HydrophobicContact CG-CD2 4.47Å; L286-V329 PolarHBondContact O-N 2.97Å; L286-L333 HydrophobicContact CD1-CB 3.9Å; L286-L333 WeakPolarHBondContact CD1-O 3.34Å; L286-A335 HydrophobicContact CD2-CB 4.4Å
287L89.7Confident87.3Confident41 Ų4144.5 Ų44.522%0.21524%0.243CC..EExtended strand (participates in β ladder)trans-94.9118.7174.1-68.9173.4000108.9V30 V285 Q326 W327 V328V30-L287 HydrophobicContact CG2-CD1 3.94Å; V30-L287 HydrophobicContact CG2-CD2 3.93Å; V30-L287 HydrophobicContact CG2-CG 4.24Å; V285-L287 HydrophobicContact CG1-CD2 4.23Å; V285-L287 HydrophobicContact CG1-CG 4.46Å; L287-Q326 HydrophobicContact CB-CB 4.37Å; L287-Q326 HydrophobicContact CD2-CB 4.36Å; L287-W327 WeakPolarHBondContact CA-O 3.39Å; L287-V328 HydrophobicContact CD2-CG2 3.87Å
288V91.6Very high87.2Confident0 Ų051.4 Ų51.40%028%0.275CS..EExtended strand (participates in β ladder)trans-112.3125.2178.8-173.90000108.4L25 Q290 V293 Q326 W327 V329 L333 V339L25-V288 HydrophobicContact CD1-CG2 3.94Å; L25-V288 HydrophobicContact CD2-CG2 3.85Å; V288-Q290 PolarHBondContact O-N 2.83Å; V288-V293 HydrophobicContact CB-CG2 4.28Å; V288-V293 HydrophobicContact CG1-CG2 3.8Å; V288-Q326 CarbonylContact O-C 3.5Å; V288-Q326 WeakPolarHBondContact O-CA 3.49Å; V288-W327 PolarHBondContact N-O 2.96Å; V288-W327 PolarHBondContact O-N 3.46Å; V288-V329 HydrophobicContact CB-CG2 4.13Å; V288-V329 HydrophobicContact CG2-CB 4.33Å; V288-V329 HydrophobicContact CG2-CG2 3.56Å; V288-L333 HydrophobicContact CG2-CD1 3.73Å; V288-V339 HydrophobicContact CG1-CB 4.48Å; V288-V339 HydrophobicContact CG1-CG1 3.86Å; V288-V339 HydrophobicContact CG1-CG2 4.38Å
289P92.2Very high87.3Confident6 Ų652.2 Ų52.24%0.03929%0.292CS..EExtended strand (participates in β ladder)trans-53.5140.3173.9-25.735.2000111.5V23 E291 G292 V341V23-P289 HydrophobicContact CG2-CG 4.25Å; P289-E291 WeakPolarHBondContact CB-OE2 3.23Å; P289-E291 PolarHBondContact O-N 3.14Å; P289-E291 VanDerWaalsContact O-N 3.13Å; P289-G292 PolarHBondContact O-N 3.29Å; P289-V341 HydrophobicContact CB-CG1 4.16Å; P289-V341 HydrophobicContact CG-CG1 4.09Å
290Q92.1Very high87.8Confident78 Ų7855.6 Ų55.636%0.36431%0.306SS..G310 helixtrans-58.8-28.5-176.1-71.3-17517.100112.7V288 G292 V293 G324 D325 W327V288-Q290 PolarHBondContact O-N 2.83Å; Q290-G292 PolarHBondContact O-N 3.07Å; Q290-V293 PolarHBondContact O-N 3.26Å; Q290-G324 PolarHBondContact NE2-O 2.88Å; Q290-G324 VanDerWaalsContact NE2-O 3.13Å; Q290-D325 VanDerWaalsContact CG-O 3.3Å; Q290-D325 WeakPolarHBondContact CG-O 3.39Å; Q290-D325 PolarHBondContact N-O 2.91Å; Q290-W327 HydrophobicContact CG-CG 4.36Å
291E90.3Very high88.3Confident100 Ų10056 Ų5647%0.46731%0.31SS..G310 helixtrans-64.1-26.7178.1-56.186.1171.200113.2P289 L344P289-E291 WeakPolarHBondContact CB-OE2 3.23Å; P289-E291 PolarHBondContact O-N 3.14Å; P289-E291 VanDerWaalsContact O-N 3.13Å; E291-L344 VanDerWaalsContact O-CD1 3.31Å; E291-L344 WeakPolarHBondContact O-CD1 3.49Å
292G89.3Confident88.8Confident0 Ų055.2 Ų55.20%030%0.304CS..G310 helixtrans-85.5-6.8179.800000114.7P289 Q290 I340P289-G292 PolarHBondContact O-N 3.29Å; Q290-G292 PolarHBondContact O-N 3.07Å; G292-I340 WeakPolarHBondContact CA-O 3.31Å
293V91.5Very high89.3Confident16 Ų1653 Ų5310%0.09730%0.296CS..EExtended strand (participates in β ladder)trans-107.2123.5-176.2-177.90000110V288 Q290 A301 I317V288-V293 HydrophobicContact CB-CG2 4.28Å; V288-V293 HydrophobicContact CG1-CG2 3.8Å; Q290-V293 PolarHBondContact O-N 3.26Å; V293-A301 HydrophobicContact CG1-CB 4.06Å; V293-I317 HydrophobicContact CG1-CD1 4.02Å; V293-I317 HydrophobicContact CG2-CD1 3.97Å
294T90.7Very high89.8Confident57 Ų5750.6 Ų50.635%0.3529%0.285SS..EExtended strand (participates in β ladder)trans-118.3169.3173.863.10000110.3A301 T302 L344T294-A301 CarbonylContact O-C 3.55Å; T294-A301 WeakPolarHBondContact O-CA 3.42Å; T294-T302 PolarHBondContact N-O 3.29Å; T294-T302 PolarHBondContact O-N 2.84Å; T294-T302 VanDerWaalsContact O-O 3.1Å; T294-T302 PolarHBondContact O-OG1 2.7Å; T294-T302 PolarHBondContact OG1-O 3.5Å; T294-T302 PolarHBondContact OG1-OG1 2.67Å; T294-T302 VanDerWaalsContact OG1-OG1 3.12Å; T294-L344 HydrophobicContact CG2-CD1 4.39Å
295H90.2Very high90.5Very high119 Ų11944.4 Ų44.455%0.55125%0.252SS*.EExtended strand (participates in β ladder)trans-114.6136.9173.8-65.685.6000109.8G299 K300H295-G299 PolarHBondContact CD2-O 2.87Å; H295-K300 WeakPolarHBondContact CA-O 3.48Å
296N89.2Confident90.9Very high49 Ų4944.3 Ų44.326%0.26225%0.251SS..  trans-76.6178.517370.116.9000111.2Q298 G299 K300 T302N296-Q298 PolarHBondContact O-N 3.25Å; N296-Q298 VanDerWaalsContact O-N 3.07Å; N296-Q298 WeakPolarHBondContact OD1-CA 3.25Å; N296-Q298 WeakPolarHBondContact OD1-CB 3.33Å; N296-Q298 PolarHBondContact OD1-N 3.48Å; N296-G299 PolarHBondContact O-N 2.98Å; N296-G299 PolarHBondContact OD1-N 2.88Å; N296-K300 PolarHBondContact N-O 2.71Å; N296-K300 PolarHBondContact OD1-N 2.91Å; N296-K300 PolarHBondContact OD1-O 3.28Å; N296-T302 HydrophobicContact CB-CG2 4.06Å
297A88.8Confident90.9Very high117 Ų11745.1 Ų45.197%0.96726%0.256SS*.THydrogen-bonded Turntrans-62-16.3-18000000114.5
298Q89.5Confident90.8Very high149 Ų14953 Ų5370%0.69629%0.288SS*.THydrogen-bonded Turntrans-91.1-0.6175.7-61.7179.3-14.900112.5N296 K300N296-Q298 PolarHBondContact O-N 3.25Å; N296-Q298 VanDerWaalsContact O-N 3.07Å; N296-Q298 WeakPolarHBondContact OD1-CA 3.25Å; N296-Q298 WeakPolarHBondContact OD1-CB 3.33Å; N296-Q298 PolarHBondContact OD1-N 3.48Å; Q298-K300 VanDerWaalsContact C-N 3.28Å; Q298-K300 HydrophobicContact CB-CG 4.36Å; Q298-K300 PolarHBondContact O-N 3.43Å
299G87.2Confident90.6Very high53 Ų5358.5 Ų58.555%0.54632%0.318SS..SBendtrans77.310.7-17600000114H295 N296H295-G299 PolarHBondContact CD2-O 2.87Å; N296-G299 PolarHBondContact O-N 2.98Å; N296-G299 PolarHBondContact OD1-N 2.88Å
300K90.3Very high90.5Very high90 Ų9061.4 Ų61.439%0.39133%0.333SS..  trans-83.2140.1174.6-59.2-171.3177.8-177.30110.5H295 N296 Q298 E316H295-K300 WeakPolarHBondContact CA-O 3.48Å; N296-K300 PolarHBondContact N-O 2.71Å; N296-K300 PolarHBondContact OD1-N 2.91Å; N296-K300 PolarHBondContact OD1-O 3.28Å; Q298-K300 VanDerWaalsContact C-N 3.28Å; Q298-K300 HydrophobicContact CB-CG 4.36Å; Q298-K300 PolarHBondContact O-N 3.43Å; K300-E316 HydrophobicContact CB-CG 4.31Å; K300-E316 HydrophobicContact CD-CG 4.17Å; K300-E316 WeakPolarHBondContact CD-OE1 3.44Å; K300-E316 WeakPolarHBondContact CD-OE2 3.44Å; K300-E316 WeakPolarHBondContact CE-OE1 3.3Å; K300-E316 IonicContact NZ-OE1 3.61Å; K300-E316 PolarHBondContact NZ-OE1 2.88Å; K300-E316 IonicContact NZ-OE2 3.18Å; K300-E316 PolarHBondContact NZ-OE2 3.02Å
301A92.8Very high90.4Very high11 Ų1159.2 Ų59.29%0.09133%0.325CS..EExtended strand (participates in β ladder)trans-67.2136.9176.800000110.6V293 T294 I317 A319V293-A301 HydrophobicContact CG1-CB 4.06Å; T294-A301 CarbonylContact O-C 3.55Å; T294-A301 WeakPolarHBondContact O-CA 3.42Å; A301-I317 HydrophobicContact CB-CD1 4.36Å; A301-I317 HydrophobicContact CB-CG1 3.76Å; A301-I317 PolarHBondContact O-N 3.43Å; A301-A319 HydrophobicContact CB-CB 4.2Å
302T93.5Very high90.5Very high4 Ų454.5 Ų54.53%0.02530%0.303CS..EExtended strand (participates in β ladder)trans-137.7144.4178.558.10000110.3T294 N296 L314 R315T294-T302 PolarHBondContact N-O 3.29Å; T294-T302 PolarHBondContact O-N 2.84Å; T294-T302 VanDerWaalsContact O-O 3.1Å; T294-T302 PolarHBondContact O-OG1 2.7Å; T294-T302 PolarHBondContact OG1-O 3.5Å; T294-T302 PolarHBondContact OG1-OG1 2.67Å; T294-T302 VanDerWaalsContact OG1-OG1 3.12Å; N296-T302 HydrophobicContact CB-CG2 4.06Å; T302-L314 HydrophobicContact CG2-CD1 4.32Å; T302-L314 HydrophobicContact CG2-CG 4.49Å; T302-R315 CarbonylContact C-O 3.54Å; T302-R315 WeakPolarHBondContact CA-O 3.28Å; T302-R315 WeakPolarHBondContact CB-O 3.17Å
303A93.2Very high90.7Very high0 Ų058.4 Ų58.40%032%0.321CS..EExtended strand (participates in β ladder)trans-121.7144.7172.500000110R315 I317 L333 V339A303-R315 PolarHBondContact N-O 3.13Å; A303-R315 PolarHBondContact O-N 3.03Å; A303-I317 HydrophobicContact CB-CD1 4.17Å; A303-I317 HydrophobicContact CB-CG2 4.22Å; A303-L333 HydrophobicContact CB-CD1 4.28Å; A303-V339 HydrophobicContact CB-CG1 4.36Å
304L92.6Very high90.7Very high19 Ų1961.8 Ų61.810%0.09934%0.338CS..EExtended strand (participates in β ladder)trans-90.4126.3168.1-68.6179.9000108.7V312 Q313 L314 I340 L344 I347 P349L304-V312 HydrophobicContact CB-CG1 4.23Å; L304-V312 HydrophobicContact CD1-CG1 4.27Å; L304-V312 HydrophobicContact CD2-CG1 3.89Å; L304-V312 HydrophobicContact CG-CG1 4.38Å; L304-Q313 WeakPolarHBondContact CA-O 3.04Å; L304-L314 HydrophobicContact CD2-CB 3.94Å; L304-L314 HydrophobicContact CD2-CD1 3.57Å; L304-L314 HydrophobicContact CD2-CG 4.39Å; L304-L314 HydrophobicContact CG-CD1 4.3Å; L304-I340 HydrophobicContact CB-CB 4.28Å; L304-I340 HydrophobicContact CB-CD1 4.16Å; L304-I340 PolarHBondContact O-N 3.17Å; L304-L344 HydrophobicContact CB-CD2 4.35Å; L304-L344 HydrophobicContact CD1-CD2 3.78Å; L304-L344 HydrophobicContact CG-CD2 4.4Å; L304-I347 HydrophobicContact CD1-CD1 3.6Å; L304-I347 HydrophobicContact CD1-CG1 3.98Å; L304-P349 HydrophobicContact CD2-CG 4.15Å
305I93.6Very high90.8Very high3 Ų362.2 Ų62.22%0.01533%0.333CS..EExtended strand (participates in β ladder)trans-115.8156175.665.6167.3000110.9V312 Q313 R315 L333 R338 V339I305-V312 CarbonylContact O-C 3.54Å; I305-V312 WeakPolarHBondContact O-CA 3.32Å; I305-Q313 HydrophobicContact CD1-CB 4.48Å; I305-Q313 HydrophobicContact CG1-CB 3.92Å; I305-Q313 PolarHBondContact N-O 3.18Å; I305-Q313 PolarHBondContact O-N 3.2Å; I305-R315 HydrophobicContact CD1-CG 3.99Å; I305-R315 VanDerWaalsContact CD1-NE 3.26Å; I305-R315 VanDerWaalsContact CD1-NH2 3.32Å; I305-R315 HydrophobicContact CG1-CG 4.33Å; I305-L333 HydrophobicContact CG2-CD2 3.6Å; I305-R338 CarbonylContact C-O 3.44Å; I305-R338 WeakPolarHBondContact CA-O 3.36Å; I305-V339 HydrophobicContact CG2-CG2 4.09Å
306L91.9Very high90.9Very high5 Ų561.3 Ų61.33%0.02633%0.329CS..EExtended strand (participates in β ladder)trans-103.1111.3171.4-163.869.5000109.2V22 D310 V312 R338 A353 A355V22-L306 HydrophobicContact CG2-CD2 4.5Å; L306-D310 HydrophobicContact CD1-CB 4.38Å; L306-D310 VanDerWaalsContact CD1-O 3.31Å; L306-D310 WeakPolarHBondContact CD1-O 3.1Å; L306-D310 HydrophobicContact CD2-CB 4.4Å; L306-D310 WeakPolarHBondContact CD2-OD1 3.14Å; L306-D310 HydrophobicContact CG-CB 4.44Å; L306-V312 HydrophobicContact CD1-CG2 4.19Å; L306-R338 HydrophobicContact CB-CB 4.18Å; L306-R338 PolarHBondContact N-O 3.48Å; L306-R338 PolarHBondContact O-NE 2.94Å; L306-A353 HydrophobicContact CD1-CB 4.13Å; L306-A355 HydrophobicContact CD2-CB 3.77Å
307D89.3Confident91.1Very high31 Ų3159.3 Ų59.317%0.16632%0.319CS..  trans-69.7-178.5-179.971.517.1000112.5D309 D310 V311 Q313 R338D307-D309 PolarHBondContact O-N 3.2Å; D307-D309 WeakPolarHBondContact OD1-CA 3.48Å; D307-D309 PolarHBondContact OD1-N 2.85Å; D307-D310 PolarHBondContact O-N 3.38Å; D307-D310 PolarHBondContact OD1-N 2.78Å; D307-V311 PolarHBondContact N-O 3.49Å; D307-V311 PolarHBondContact OD1-N 3.01Å; D307-V311 WeakPolarHBondContact OD2-CB 3.46Å; D307-Q313 HydrophobicContact CB-CG 4.33Å; D307-Q313 PolarHBondContact OD2-NE2 2.84Å; D307-R338 PolarHBondContact O-NH2 3.34Å
308K87.6Confident91.2Very high205 Ų20559.6 Ų59.689%0.89130%0.3SS*.THydrogen-bonded Turntrans-65.4-18.4-178-65.3179.8-177.9174.20113.7
309D87.1Confident91.1Very high117 Ų11754 Ų5463%0.62628%0.279SS*.THydrogen-bonded Turntrans-98.712.9-179.3-63.1-48.5000112.4D307 V311D307-D309 PolarHBondContact O-N 3.2Å; D307-D309 WeakPolarHBondContact OD1-CA 3.48Å; D307-D309 PolarHBondContact OD1-N 2.85Å; D309-V311 HydrophobicContact CB-CG2 4.27Å; D309-V311 PolarHBondContact O-N 2.85Å
310D89.5Confident90.9Very high67 Ų6754.6 Ų54.636%0.35828%0.275SS..SBendtrans5930.6-175.1-67.4-36000113.4L306 D307 R338 K352 A353L306-D310 HydrophobicContact CD1-CB 4.38Å; L306-D310 VanDerWaalsContact CD1-O 3.31Å; L306-D310 WeakPolarHBondContact CD1-O 3.1Å; L306-D310 HydrophobicContact CD2-CB 4.4Å; L306-D310 WeakPolarHBondContact CD2-OD1 3.14Å; L306-D310 HydrophobicContact CG-CB 4.44Å; D307-D310 PolarHBondContact O-N 3.38Å; D307-D310 PolarHBondContact OD1-N 2.78Å; D310-R338 IonicContact OD1-CZ 3.65Å; D310-R338 IonicContact OD1-NH1 3.15Å; D310-R338 PolarHBondContact OD1-NH1 2.85Å; D310-R338 IonicContact OD1-NH2 3.58Å; D310-R338 PolarHBondContact OD1-NH2 2.83Å; D310-K352 CarbonylContact O-C 3.56Å; D310-K352 WeakPolarHBondContact O-CA 3.46Å; D310-A353 PolarHBondContact O-N 3.07Å
311V90.6Very high90.4Very high32 Ų3255.6 Ų55.619%0.19428%0.279CS..BIsolated β-bridgetrans-99.1133.4175.5-176.90000110.4D307 D309 Q313 K352D307-V311 PolarHBondContact N-O 3.49Å; D307-V311 PolarHBondContact OD1-N 3.01Å; D307-V311 WeakPolarHBondContact OD2-CB 3.46Å; D309-V311 HydrophobicContact CB-CG2 4.27Å; D309-V311 PolarHBondContact O-N 2.85Å; V311-Q313 PolarHBondContact O-N 3.13Å; V311-K352 HydrophobicContact CG2-CG 3.94Å
312V92.6Very high90Very high1 Ų157 Ų571%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-72.2123.1178.8178.60000110L304 I305 L306 I340 I347 P349 G350 I351 A353L304-V312 HydrophobicContact CB-CG1 4.23Å; L304-V312 HydrophobicContact CD1-CG1 4.27Å; L304-V312 HydrophobicContact CD2-CG1 3.89Å; L304-V312 HydrophobicContact CG-CG1 4.38Å; I305-V312 CarbonylContact O-C 3.54Å; I305-V312 WeakPolarHBondContact O-CA 3.32Å; L306-V312 HydrophobicContact CD1-CG2 4.19Å; V312-I340 HydrophobicContact CG1-CD1 4.06Å; V312-I340 HydrophobicContact CG2-CD1 3.87Å; V312-I347 HydrophobicContact CG1-CD1 4.13Å; V312-I347 HydrophobicContact CG2-CB 4.36Å; V312-I347 HydrophobicContact CG2-CD1 4.28Å; V312-P349 CarbonylContact O-C 3.56Å; V312-P349 WeakPolarHBondContact O-CA 3.2Å; V312-G350 PolarHBondContact O-N 2.79Å; V312-I351 HydrophobicContact CG2-CG1 4.27Å; V312-I351 PolarHBondContact N-O 3.31Å; V312-A353 HydrophobicContact CG2-CB 3.83Å
313Q92.3Very high89.4Confident81 Ų8159.8 Ų59.838%0.37931%0.305SS..EExtended strand (participates in β ladder)trans-118.3138.5174-58.8-170.50.900110.7L304 I305 D307 V311L304-Q313 WeakPolarHBondContact CA-O 3.04Å; I305-Q313 HydrophobicContact CD1-CB 4.48Å; I305-Q313 HydrophobicContact CG1-CB 3.92Å; I305-Q313 PolarHBondContact N-O 3.18Å; I305-Q313 PolarHBondContact O-N 3.2Å; D307-Q313 HydrophobicContact CB-CG 4.33Å; D307-Q313 PolarHBondContact OD2-NE2 2.84Å; V311-Q313 PolarHBondContact O-N 3.13Å
314L92.2Very high89Confident88 Ų8863.2 Ų63.246%0.46134%0.34SS..EExtended strand (participates in β ladder)trans-88.6123.9170.5-175.873.1000108.9T302 L304 P349T302-L314 HydrophobicContact CG2-CD1 4.32Å; T302-L314 HydrophobicContact CG2-CG 4.49Å; L304-L314 HydrophobicContact CD2-CB 3.94Å; L304-L314 HydrophobicContact CD2-CD1 3.57Å; L304-L314 HydrophobicContact CD2-CG 4.39Å; L304-L314 HydrophobicContact CG-CD1 4.3Å; L314-P349 HydrophobicContact CB-CB 4.42Å; L314-P349 HydrophobicContact CB-CG 3.93Å
315R92.6Very high88.7Confident66 Ų6666.6 Ų66.625%0.24936%0.358CS..EExtended strand (participates in β ladder)trans-115134.5169.9-70.5-150.6-165.2156.819.1110.6T302 A303 I305 I317 G332 D337T302-R315 CarbonylContact C-O 3.54Å; T302-R315 WeakPolarHBondContact CA-O 3.28Å; T302-R315 WeakPolarHBondContact CB-O 3.17Å; A303-R315 PolarHBondContact N-O 3.13Å; A303-R315 PolarHBondContact O-N 3.03Å; I305-R315 HydrophobicContact CD1-CG 3.99Å; I305-R315 VanDerWaalsContact CD1-NE 3.26Å; I305-R315 VanDerWaalsContact CD1-NH2 3.32Å; I305-R315 HydrophobicContact CG1-CG 4.33Å; R315-I317 HydrophobicContact CB-CG2 4.5Å; R315-G332 WeakPolarHBondContact CD-O 3.42Å; R315-G332 PolarHBondContact NH1-O 3.22Å; R315-D337 IonicContact CZ-OD2 3.41Å; R315-D337 IonicContact NH1-OD2 2.7Å; R315-D337 PolarHBondContact NH1-OD2 3.03Å; R315-D337 IonicContact NH2-OD1 2.71Å; R315-D337 PolarHBondContact NH2-OD1 3.14Å; R315-D337 IonicContact NH2-OD2 2.72Å; R315-D337 PolarHBondContact NH2-OD2 3.37Å
316E93.4Very high88.5Confident99 Ų9969.5 Ų69.546%0.46337%0.372SS..EExtended strand (participates in β ladder)trans-73.2135.6163.8-171.2173.8123.900108.7K300K300-E316 HydrophobicContact CB-CG 4.31Å; K300-E316 HydrophobicContact CD-CG 4.17Å; K300-E316 WeakPolarHBondContact CD-OE1 3.44Å; K300-E316 WeakPolarHBondContact CD-OE2 3.44Å; K300-E316 WeakPolarHBondContact CE-OE1 3.3Å; K300-E316 IonicContact NZ-OE1 3.61Å; K300-E316 PolarHBondContact NZ-OE1 2.88Å; K300-E316 IonicContact NZ-OE2 3.18Å; K300-E316 PolarHBondContact NZ-OE2 3.02Å
317I93.5Very high88.4Confident8 Ų872.5 Ų72.54%0.04138%0.383CS..  trans-131.3155.5-175.565.7167.8000110.4V293 A301 A303 R315 V329 S331 L333V293-I317 HydrophobicContact CG1-CD1 4.02Å; V293-I317 HydrophobicContact CG2-CD1 3.97Å; A301-I317 HydrophobicContact CB-CD1 4.36Å; A301-I317 HydrophobicContact CB-CG1 3.76Å; A301-I317 PolarHBondContact O-N 3.43Å; A303-I317 HydrophobicContact CB-CD1 4.17Å; A303-I317 HydrophobicContact CB-CG2 4.22Å; R315-I317 HydrophobicContact CB-CG2 4.5Å; I317-V329 HydrophobicContact CB-CG1 4.07Å; I317-V329 HydrophobicContact CD1-CG1 4.48Å; I317-V329 HydrophobicContact CD1-CG2 3.96Å; I317-S331 WeakPolarHBondContact CA-O 3.4Å; I317-L333 HydrophobicContact CD1-CD1 4.46Å; I317-L333 HydrophobicContact CG2-CD1 3.85Å; I317-L333 HydrophobicContact CG2-CD2 4.2Å; I317-L333 HydrophobicContact CG2-CG 3.64Å
318E89.9Confident88.4Confident122 Ų12271.1 Ų71.157%0.5738%0.376SS*.EExtended strand (participates in β ladder)trans-102.5101.4168.1-69.3-175.3169.400109.1V329 T330 S331E318-V329 CarbonylContact O-C 3.6Å; E318-V329 WeakPolarHBondContact O-CA 3.47Å; E318-T330 WeakPolarHBondContact CB-OG1 3.33Å; E318-T330 PolarHBondContact O-N 3.48Å; E318-T330 PolarHBondContact O-OG1 3.49Å; E318-S331 PolarHBondContact N-O 3.03Å
319A88Confident88.5Confident31 Ų3161.7 Ų61.726%0.25634%0.335SS..EExtended strand (participates in β ladder)trans-92.6108172.900000109A301 W327 V328A301-A319 HydrophobicContact CB-CB 4.2Å; A319-W327 HydrophobicContact CB-CB 4.23Å; A319-W327 HydrophobicContact CB-CD2 4.12Å; A319-W327 HydrophobicContact CB-CE3 3.96Å; A319-W327 HydrophobicContact CB-CG 4.22Å; A319-V328 CarbonylContact C-O 3.59Å; A319-V328 WeakPolarHBondContact CA-O 3.41Å
320S81.6Confident88.3Confident67 Ų6760.1 Ų60.147%0.46933%0.33SS..EExtended strand (participates in β ladder)trans-87.6-38.2-169.2700000113.6V328S320-V328 PolarHBondContact N-O 2.74Å; S320-V328 PolarHBondContact OG-O 2.87Å
321K81.3Confident88.1Confident111 Ų11159.8 Ų59.848%0.48333%0.333SS..EExtended strand (participates in β ladder)trans-152.6136.9-175.1-172172.8-178.4177.50111I323 V328K321-I323 HydrophobicContact CD-CD1 4.5Å; K321-I323 HydrophobicContact CD-CG1 4.41Å; K321-I323 HydrophobicContact CG-CG1 4.19Å; K321-V328 PolarHBondContact O-N 2.86Å
322A83.8Confident88Confident41 Ų4159.5 Ų59.534%0.33934%0.336SS..EExtended strand (participates in β ladder)trans-84.9132.5168.800000109.6Q326 W327A322-Q326 CarbonylContact C-O 3.5Å; A322-Q326 WeakPolarHBondContact CA-O 3.38Å; A322-W327 HydrophobicContact CB-CD2 4.1Å; A322-W327 HydrophobicContact CB-CE3 3.83Å; A322-W327 HydrophobicContact CB-CH2 3.73Å; A322-W327 HydrophobicContact CB-CZ2 4.01Å; A322-W327 HydrophobicContact CB-CZ3 3.65Å; A322-W327 VanDerWaalsContact N-CE3 3.32Å
323I81.1Confident87.9Confident61 Ų6160.2 Ų60.231%0.31334%0.34SS..EExtended strand (participates in β ladder)trans-131.5107.8177.9-58.7-177.6000106.7V30 K321 D325 Q326 V328V30-I323 HydrophobicContact CB-CD1 4.34Å; V30-I323 HydrophobicContact CG1-CD1 3.38Å; V30-I323 HydrophobicContact CG1-CG2 4.3Å; K321-I323 HydrophobicContact CD-CD1 4.5Å; K321-I323 HydrophobicContact CD-CG1 4.41Å; K321-I323 HydrophobicContact CG-CG1 4.19Å; I323-D325 PolarHBondContact O-N 2.83Å; I323-Q326 PolarHBondContact N-O 2.78Å; I323-Q326 PolarHBondContact O-N 2.86Å; I323-Q326 VanDerWaalsContact O-N 3.14Å; I323-V328 HydrophobicContact CD1-CG2 3.47Å; I323-V328 VanDerWaalsContact CD1-CG2 3.47Å; I323-V328 HydrophobicContact CG1-CG2 4.02Å
324G83.8Confident87.8Confident72 Ų7262.5 Ų62.574%0.74235%0.351SS*.THydrogen-bonded Turntrans61.4-122.5-170.200000111.3Q290Q290-G324 PolarHBondContact NE2-O 2.88Å; Q290-G324 VanDerWaalsContact NE2-O 3.13Å
325D87.8Confident87.7Confident90 Ų9061.2 Ų61.248%0.48135%0.353SS..THydrogen-bonded Turntrans-98.813.2178.761.6-18.4000113.4Q290 I323Q290-D325 VanDerWaalsContact CG-O 3.3Å; Q290-D325 WeakPolarHBondContact CG-O 3.39Å; Q290-D325 PolarHBondContact N-O 2.91Å; I323-D325 PolarHBondContact O-N 2.83Å
326Q89.3Confident87.5Confident64 Ų6460.3 Ų60.330%0.29936%0.364SS..EExtended strand (participates in β ladder)trans-125.6151.3-178.8-56.5-175.9-55.400112.2L287 V288 A322 I323L287-Q326 HydrophobicContact CB-CB 4.37Å; L287-Q326 HydrophobicContact CD2-CB 4.36Å; V288-Q326 CarbonylContact O-C 3.5Å; V288-Q326 WeakPolarHBondContact O-CA 3.49Å; A322-Q326 CarbonylContact C-O 3.5Å; A322-Q326 WeakPolarHBondContact CA-O 3.38Å; I323-Q326 PolarHBondContact N-O 2.78Å; I323-Q326 PolarHBondContact O-N 2.86Å; I323-Q326 VanDerWaalsContact O-N 3.14Å
327W90.1Very high87.4Confident69 Ų6956.7 Ų56.726%0.26135%0.348SS..EExtended strand (participates in β ladder)trans-98.6134.7169.6-76.1108.9000110.8L287 V288 Q290 A319 A322 V329L287-W327 WeakPolarHBondContact CA-O 3.39Å; V288-W327 PolarHBondContact N-O 2.96Å; V288-W327 PolarHBondContact O-N 3.46Å; Q290-W327 HydrophobicContact CG-CG 4.36Å; A319-W327 HydrophobicContact CB-CB 4.23Å; A319-W327 HydrophobicContact CB-CD2 4.12Å; A319-W327 HydrophobicContact CB-CE3 3.96Å; A319-W327 HydrophobicContact CB-CG 4.22Å; A322-W327 HydrophobicContact CB-CD2 4.1Å; A322-W327 HydrophobicContact CB-CE3 3.83Å; A322-W327 HydrophobicContact CB-CH2 3.73Å; A322-W327 HydrophobicContact CB-CZ2 4.01Å; A322-W327 HydrophobicContact CB-CZ3 3.65Å; A322-W327 VanDerWaalsContact N-CE3 3.32Å; W327-V329 PolarHBondContact O-N 2.99Å
328V88.3Confident87.4Confident2 Ų259.4 Ų59.41%0.01236%0.358CS..EExtended strand (participates in β ladder)trans-77.1115164174.10000108V285 L287 A319 S320 K321 I323V285-V328 HydrophobicContact CG1-CB 3.98Å; V285-V328 HydrophobicContact CG1-CG1 3.32Å; V285-V328 HydrophobicContact CG1-CG2 4.03Å; V285-V328 HydrophobicContact CG2-CG1 4.39Å; L287-V328 HydrophobicContact CD2-CG2 3.87Å; A319-V328 CarbonylContact C-O 3.59Å; A319-V328 WeakPolarHBondContact CA-O 3.41Å; S320-V328 PolarHBondContact N-O 2.74Å; S320-V328 PolarHBondContact OG-O 2.87Å; K321-V328 PolarHBondContact O-N 2.86Å; I323-V328 HydrophobicContact CD1-CG2 3.47Å; I323-V328 VanDerWaalsContact CD1-CG2 3.47Å; I323-V328 HydrophobicContact CG1-CG2 4.02Å
329V89.4Confident87.5Confident7 Ų753.6 Ų53.64%0.04233%0.33CS..EExtended strand (participates in β ladder)trans-103.1125.2177.2-179.60000110.2L286 V288 I317 E318 W327 S331 L333L286-V329 PolarHBondContact O-N 2.97Å; V288-V329 HydrophobicContact CB-CG2 4.13Å; V288-V329 HydrophobicContact CG2-CB 4.33Å; V288-V329 HydrophobicContact CG2-CG2 3.56Å; I317-V329 HydrophobicContact CB-CG1 4.07Å; I317-V329 HydrophobicContact CD1-CG1 4.48Å; I317-V329 HydrophobicContact CD1-CG2 3.96Å; E318-V329 CarbonylContact O-C 3.6Å; E318-V329 WeakPolarHBondContact O-CA 3.47Å; W327-V329 PolarHBondContact O-N 2.99Å; V329-S331 VanDerWaalsContact CG1-O 3.25Å; V329-S331 WeakPolarHBondContact CG1-O 3.18Å; V329-L333 HydrophobicContact CG1-CB 4.43Å; V329-L333 HydrophobicContact CG1-CD1 4.17Å; V329-L333 HydrophobicContact CG1-CG 4.46Å; V329-L333 HydrophobicContact CG2-CD1 4.47Å
330T83.1Confident87.7Confident83 Ų8352.1 Ų52.151%0.50932%0.318SS..EExtended strand (participates in β ladder)trans-98.6-26.3-178.250.60000113.2E318E318-T330 WeakPolarHBondContact CB-OG1 3.33Å; E318-T330 PolarHBondContact O-N 3.48Å; E318-T330 PolarHBondContact O-OG1 3.49Å
331S86.6Confident88.2Confident61 Ų6149.8 Ų49.843%0.42730%0.301SS..EExtended strand (participates in β ladder)trans-149.2156.7-177.8-173.50000112.2I317 E318 V329I317-S331 WeakPolarHBondContact CA-O 3.4Å; E318-S331 PolarHBondContact N-O 3.03Å; V329-S331 VanDerWaalsContact CG1-O 3.25Å; V329-S331 WeakPolarHBondContact CG1-O 3.18Å
332G87.6Confident88.5Confident25 Ų2547.1 Ų47.126%0.25830%0.296SS..SBendtrans96.2-22.1176.100000115.3R315R315-G332 WeakPolarHBondContact CD-O 3.42Å; R315-G332 PolarHBondContact NH1-O 3.22Å
333L90.4Very high88.5Confident16 Ų1646.3 Ų46.38%0.08429%0.292CS..  trans-121154.7178.6-64.3170.9000111.5L25 L286 V288 A303 I305 I317 V329 D337 V339L25-L333 HydrophobicContact CD1-CB 3.97Å; L25-L333 HydrophobicContact CD1-CD1 3.84Å; L25-L333 HydrophobicContact CD1-CG 4.36Å; L286-L333 HydrophobicContact CD1-CB 3.9Å; L286-L333 WeakPolarHBondContact CD1-O 3.34Å; V288-L333 HydrophobicContact CG2-CD1 3.73Å; A303-L333 HydrophobicContact CB-CD1 4.28Å; I305-L333 HydrophobicContact CG2-CD2 3.6Å; I317-L333 HydrophobicContact CD1-CD1 4.46Å; I317-L333 HydrophobicContact CG2-CD1 3.85Å; I317-L333 HydrophobicContact CG2-CD2 4.2Å; I317-L333 HydrophobicContact CG2-CG 3.64Å; V329-L333 HydrophobicContact CG1-CB 4.43Å; V329-L333 HydrophobicContact CG1-CD1 4.17Å; V329-L333 HydrophobicContact CG1-CG 4.46Å; V329-L333 HydrophobicContact CG2-CD1 4.47Å; L333-D337 HydrophobicContact CD2-CB 4.46Å; L333-V339 HydrophobicContact CD1-CG2 4.13Å; L333-V339 HydrophobicContact CD2-CG2 4.39Å
334Q90.4Very high88.5Confident129 Ų12945.8 Ų45.860%0.60329%0.29SS*.  trans-122.3155.9178.9-65.4-176.4-16.100111.1G336 D337Q334-G336 PolarHBondContact O-N 3.19Å; Q334-D337 PolarHBondContact N-OD2 3.35Å; Q334-D337 VanDerWaalsContact O-CB 3.26Å; Q334-D337 WeakPolarHBondContact O-CB 3.16Å; Q334-D337 PolarHBondContact O-N 2.96Å
335A89.1Confident88.3Confident62 Ų6251.9 Ų51.951%0.51230%0.299SS..THydrogen-bonded Turntrans-56.7130.3170.200000110.2P27 L286P27-A335 HydrophobicContact CG-CB 3.66Å; L286-A335 HydrophobicContact CD2-CB 4.4Å
336G89.4Confident87.9Confident47 Ų4757 Ų5749%0.48531%0.311SS..THydrogen-bonded Turntrans88-6.4-174.600000114.8L25 Q334 R338L25-G336 PolarHBondContact O-N 3.25Å; Q334-G336 PolarHBondContact O-N 3.19Å; G336-R338 PolarHBondContact O-N 2.86Å
337D91.6Very high87.7Confident23 Ų2354.5 Ų54.512%0.12330%0.3CS..  trans-61.5138.2171.4-79.6-19.7000109.6L25 R315 L333 Q334L25-D337 HydrophobicContact CD1-CB 4.39Å; L25-D337 WeakPolarHBondContact CG-O 3.32Å; L25-D337 PolarHBondContact N-O 2.74Å; R315-D337 IonicContact CZ-OD2 3.41Å; R315-D337 IonicContact NH1-OD2 2.7Å; R315-D337 PolarHBondContact NH1-OD2 3.03Å; R315-D337 IonicContact NH2-OD1 2.71Å; R315-D337 PolarHBondContact NH2-OD1 3.14Å; R315-D337 IonicContact NH2-OD2 2.72Å; R315-D337 PolarHBondContact NH2-OD2 3.37Å; L333-D337 HydrophobicContact CD2-CB 4.46Å; Q334-D337 PolarHBondContact N-OD2 3.35Å; Q334-D337 VanDerWaalsContact O-CB 3.26Å; Q334-D337 WeakPolarHBondContact O-CB 3.16Å; Q334-D337 PolarHBondContact O-N 2.96Å
338R92.4Very high87.5Confident64 Ų6460.5 Ų60.524%0.24232%0.323CS..EExtended strand (participates in β ladder)trans-97.893.2-177.7-77.7-165.6-54.6170.81.7109.5V22 I305 L306 D307 D310 G336V22-R338 HydrophobicContact CG1-CB 3.47Å; V22-R338 VanDerWaalsContact CG1-CB 3.47Å; V22-R338 HydrophobicContact CG1-CG 3.98Å; I305-R338 CarbonylContact C-O 3.44Å; I305-R338 WeakPolarHBondContact CA-O 3.36Å; L306-R338 HydrophobicContact CB-CB 4.18Å; L306-R338 PolarHBondContact N-O 3.48Å; L306-R338 PolarHBondContact O-NE 2.94Å; D307-R338 PolarHBondContact O-NH2 3.34Å; D310-R338 IonicContact OD1-CZ 3.65Å; D310-R338 IonicContact OD1-NH1 3.15Å; D310-R338 PolarHBondContact OD1-NH1 2.85Å; D310-R338 IonicContact OD1-NH2 3.58Å; D310-R338 PolarHBondContact OD1-NH2 2.83Å; G336-R338 PolarHBondContact O-N 2.86Å
339V92.5Very high87.5Confident0 Ų064.1 Ų64.10%035%0.346CS..EExtended strand (participates in β ladder)trans-82.8132.9-178.5178.60000110.7V22 V23 L25 V288 A303 I305 L333V22-V339 CarbonylContact C-O 3.56Å; V22-V339 VanDerWaalsContact CA-O 3.28Å; V22-V339 WeakPolarHBondContact CA-O 3.39Å; V23-V339 PolarHBondContact N-O 3.06Å; V23-V339 PolarHBondContact O-N 3.07Å; L25-V339 HydrophobicContact CD1-CG2 3.64Å; L25-V339 HydrophobicContact CD2-CB 4.47Å; L25-V339 HydrophobicContact CD2-CG2 3.94Å; L25-V339 HydrophobicContact CG-CG2 3.8Å; V288-V339 HydrophobicContact CG1-CB 4.48Å; V288-V339 HydrophobicContact CG1-CG1 3.86Å; V288-V339 HydrophobicContact CG1-CG2 4.38Å; A303-V339 HydrophobicContact CB-CG1 4.36Å; I305-V339 HydrophobicContact CG2-CG2 4.09Å; L333-V339 HydrophobicContact CD1-CG2 4.13Å; L333-V339 HydrophobicContact CD2-CG2 4.39Å
340I92.2Very high87.4Confident0 Ų066.6 Ų66.60%037%0.373CS..EExtended strand (participates in β ladder)trans-82.8118.6177-58.2173.3000109.1V20 G21 V22 G292 L304 V312 S342 L344 I347V20-I340 HydrophobicContact CB-CG2 3.83Å; V20-I340 HydrophobicContact CG1-CG2 4.22Å; V20-I340 HydrophobicContact CG2-CD1 4.21Å; V20-I340 HydrophobicContact CG2-CG1 4.26Å; V20-I340 HydrophobicContact CG2-CG2 4.41Å; G21-I340 CarbonylContact O-C 3.56Å; G21-I340 WeakPolarHBondContact O-CA 3.22Å; V22-I340 HydrophobicContact CG2-CG1 4.24Å; G292-I340 WeakPolarHBondContact CA-O 3.31Å; L304-I340 HydrophobicContact CB-CB 4.28Å; L304-I340 HydrophobicContact CB-CD1 4.16Å; L304-I340 PolarHBondContact O-N 3.17Å; V312-I340 HydrophobicContact CG1-CD1 4.06Å; V312-I340 HydrophobicContact CG2-CD1 3.87Å; I340-S342 VanDerWaalsContact CG2-O 3.29Å; I340-S342 WeakPolarHBondContact CG2-O 3.4Å; I340-L344 HydrophobicContact CB-CD2 4.36Å; I340-L344 HydrophobicContact CG2-CD2 3.94Å; I340-I347 HydrophobicContact CB-CD1 4.44Å; I340-I347 HydrophobicContact CD1-CD1 3.51Å; I340-I347 HydrophobicContact CG2-CD1 3.86Å
341V92.1Very high87.6Confident18 Ų1865.5 Ų65.511%0.10936%0.364CS..EExtended strand (participates in β ladder)trans-107.8-16.5-179.6-62.80000113G21 V23 P289G21-V341 PolarHBondContact O-N 2.96Å; V23-V341 HydrophobicContact CB-CG1 4.17Å; V23-V341 HydrophobicContact CG2-CB 4.46Å; V23-V341 HydrophobicContact CG2-CG1 3.76Å; V23-V341 HydrophobicContact CG2-CG2 3.87Å; P289-V341 HydrophobicContact CB-CG1 4.16Å; P289-V341 HydrophobicContact CG-CG1 4.09Å
342S88.2Confident87.7Confident55 Ų5568.8 Ų68.839%0.38537%0.37SS..EExtended strand (participates in β ladder)trans-142.2155.4176.880.70000112G21 I340G21-S342 WeakPolarHBondContact CA-OG 3.15Å; G21-S342 PolarHBondContact N-O 3.26Å; G21-S342 PolarHBondContact N-OG 3.02Å; G21-S342 PolarHBondContact O-N 2.94Å; I340-S342 VanDerWaalsContact CG2-O 3.29Å; I340-S342 WeakPolarHBondContact CG2-O 3.4Å
343G83.2Confident87.7Confident24 Ų2467.8 Ų67.825%0.24736%0.359CS..  trans83.49.7-175.600000114.7Q345 R346G343-Q345 PolarHBondContact O-N 3.33Å; G343-R346 PolarHBondContact O-N 3.25Å
344L80.6Confident87.6Confident51 Ų5173.6 Ų73.627%0.26738%0.38SS..G310 helixtrans-51.7-31.4-179.5-63.7170.7000113.9E291 T294 L304 I340 R346 I347E291-L344 VanDerWaalsContact O-CD1 3.31Å; E291-L344 WeakPolarHBondContact O-CD1 3.49Å; T294-L344 HydrophobicContact CG2-CD1 4.39Å; L304-L344 HydrophobicContact CB-CD2 4.35Å; L304-L344 HydrophobicContact CD1-CD2 3.78Å; L304-L344 HydrophobicContact CG-CD2 4.4Å; I340-L344 HydrophobicContact CB-CD2 4.36Å; I340-L344 HydrophobicContact CG2-CD2 3.94Å; L344-R346 VanDerWaalsContact C-N 3.3Å; L344-R346 PolarHBondContact O-N 3.3Å; L344-I347 HydrophobicContact CD2-CD1 4.42Å; L344-I347 WeakPolarHBondContact O-CG1 3.31Å
345Q80.2Confident87.3Confident199 Ų19969.4 Ų69.493%0.9337%0.367SS*.G310 helixtrans-72.3-20.7179.5-63.4177.91.700113.9G343G343-Q345 PolarHBondContact O-N 3.33Å
346R80.1Confident87Confident197 Ų19770 Ų7074%0.74336%0.361SS*.G310 helixtrans-100.1-0.2-174.7-61.4-179.9-176.9162.40.1112.9P18 G343 L344P18-R346 HydrophobicContact CB-CB 4.42Å; G343-R346 PolarHBondContact O-N 3.25Å; L344-R346 VanDerWaalsContact C-N 3.3Å; L344-R346 PolarHBondContact O-N 3.3Å
347I84.7Confident85.8Confident12 Ų1272.5 Ų72.56%0.06237%0.371CS..  trans-123.3156.4-174.662.5174.2000112.5P18 V20 L304 V312 I340 L344 I351 A353P18-I347 HydrophobicContact CB-CG2 4.32Å; P18-I347 HydrophobicContact CG-CG2 4Å; V20-I347 HydrophobicContact CG1-CD1 4.11Å; V20-I347 HydrophobicContact CG1-CG2 3.44Å; V20-I347 VanDerWaalsContact CG1-CG2 3.44Å; L304-I347 HydrophobicContact CD1-CD1 3.6Å; L304-I347 HydrophobicContact CD1-CG1 3.98Å; V312-I347 HydrophobicContact CG1-CD1 4.13Å; V312-I347 HydrophobicContact CG2-CB 4.36Å; V312-I347 HydrophobicContact CG2-CD1 4.28Å; I340-I347 HydrophobicContact CB-CD1 4.44Å; I340-I347 HydrophobicContact CD1-CD1 3.51Å; I340-I347 HydrophobicContact CG2-CD1 3.86Å; L344-I347 HydrophobicContact CD2-CD1 4.42Å; L344-I347 WeakPolarHBondContact O-CG1 3.31Å; I347-I351 HydrophobicContact CB-CD1 3.96Å; I347-I351 HydrophobicContact CG2-CD1 4.02Å; I347-A353 HydrophobicContact CG2-CB 4.33Å
348R85.2Confident84.2Confident195 Ų19572.6 Ų72.674%0.73637%0.374SS*.  trans-138.2151.9170.5-65.1-175.6-178.5174.80.6108.5G350 I351R348-G350 PolarHBondContact O-N 3.37Å; R348-I351 WeakPolarHBondContact O-CG1 3.42Å; R348-I351 PolarHBondContact O-N 3.12Å
349P87.9Confident81.7Confident78 Ų7875 Ų7551%0.50640%0.401SS..THydrogen-bonded Turntrans-52.1135.7173.1-25.935.4000111.5L304 V312 L314L304-P349 HydrophobicContact CD2-CG 4.15Å; V312-P349 CarbonylContact O-C 3.56Å; V312-P349 WeakPolarHBondContact O-CA 3.2Å; L314-P349 HydrophobicContact CB-CB 4.42Å; L314-P349 HydrophobicContact CB-CG 3.93Å
350G87.4Confident79.3Confident59 Ų5981 Ų8161%0.60843%0.429SS*.THydrogen-bonded Turntrans93.4-7.817900000116.2V312 R348V312-G350 PolarHBondContact O-N 2.79Å; R348-G350 PolarHBondContact O-N 3.37Å
351I88.2Confident76.5Confident61 Ų6188.8 Ų88.831%0.31347%0.465SS..  trans-88.9152.5175.479.9176.8000111.4P18 V312 I347 R348P18-I351 HydrophobicContact CG-CD1 3.83Å; V312-I351 HydrophobicContact CG2-CG1 4.27Å; V312-I351 PolarHBondContact N-O 3.31Å; I347-I351 HydrophobicContact CB-CD1 3.96Å; I347-I351 HydrophobicContact CG2-CD1 4.02Å; R348-I351 WeakPolarHBondContact O-CG1 3.42Å; R348-I351 PolarHBondContact O-N 3.12Å
352K88.4Confident73.5Confident130 Ų13094 Ų9457%0.56549%0.492SS*.BIsolated β-bridgetrans-76.7134.7168.2-74.1-170.7172.3-1680111T17 P18 D310 V311T17-K352 HydrophobicContact CG2-CB 4.12Å; P18-K352 WeakPolarHBondContact CD-O 3.2Å; D310-K352 CarbonylContact O-C 3.56Å; D310-K352 WeakPolarHBondContact O-CA 3.46Å; V311-K352 HydrophobicContact CG2-CG 3.94Å
353A87.2Confident70.7Confident3 Ų396.6 Ų96.63%0.02552%0.517CS..  trans-133.4146.217700000110.5P18 V20 L306 D310 V312 I347P18-A353 HydrophobicContact CG-CB 4.39Å; P18-A353 CarbonylContact O-C 3.56Å; P18-A353 WeakPolarHBondContact O-CA 3.29Å; V20-A353 HydrophobicContact CG1-CB 4.14Å; V20-A353 HydrophobicContact CG2-CB 3.82Å; L306-A353 HydrophobicContact CD1-CB 4.13Å; D310-A353 PolarHBondContact O-N 3.07Å; V312-A353 HydrophobicContact CG2-CB 3.83Å; I347-A353 HydrophobicContact CG2-CB 4.33Å
354R87.7Confident68.3Low139 Ų139100.7 Ų100.753%0.52554%0.542SS..EExtended strand (participates in β ladder)trans-91.9122.3177.2-177.6-178-65.8169.3-2.9109.3P18 E19 V20 I356P18-R354 PolarHBondContact O-N 2.93Å; E19-R354 VanDerWaalsContact CA-O 3.32Å; E19-R354 WeakPolarHBondContact CA-O 3.5Å; E19-R354 HydrophobicContact CG-CB 4.23Å; E19-R354 IonicContact OE1-NH1 2.67Å; V20-R354 PolarHBondContact N-O 2.92Å; R354-I356 PolarHBondContact O-N 3.43Å
355A84.9Confident65.9Low40 Ų40103.8 Ų103.833%0.33156%0.563SS.*EExtended strand (participates in β ladder)trans-70.7128.5174.700000111V22 L306V22-A355 HydrophobicContact CB-CB 4.26Å; V22-A355 HydrophobicContact CG2-CB 3.78Å; L306-A355 HydrophobicContact CD2-CB 3.77Å
356I82.9Confident63.6Low74 Ų74103.6 Ų103.638%0.37956%0.562SS.*EExtended strand (participates in β ladder)trans-109.7134.9159.851.1170.3000106.9E19 V20 G21 V22 R354 S358E19-I356 HydrophobicContact CB-CD1 4.35Å; E19-I356 HydrophobicContact CB-CG2 4.3Å; E19-I356 HydrophobicContact CG-CG2 4.48Å; V20-I356 VanDerWaalsContact C-CG1 3.48Å; V20-I356 WeakPolarHBondContact O-CG1 3.5Å; V20-I356 PolarHBondContact O-N 3.05Å; G21-I356 WeakPolarHBondContact CA-O 3.38Å; V22-I356 PolarHBondContact N-O 2.93Å; R354-I356 PolarHBondContact O-N 3.43Å; I356-S358 PolarHBondContact O-N 3.03Å; I356-S358 VanDerWaalsContact O-N 3.14Å
357S63.9Low61.5Low100 Ų100100.1 Ų100.170%0.69957%0.568SS**EExtended strand (participates in β ladder)trans-61.3119.8175.3-1720000108.1S359S357-S359 PolarHBondContact O-N 3.22Å
358S58.9Low59Low25 Ų25109.6 Ų109.618%0.17561%0.609CS.*  trans-69.6114.6171.852.90000107.1V22 V23 I356 Q360V22-S358 PolarHBondContact O-N 3.49Å; V22-S358 PolarHBondContact O-OG 3.25Å; V23-S358 WeakPolarHBondContact CG2-OG 3.4Å; I356-S358 PolarHBondContact O-N 3.03Å; I356-S358 VanDerWaalsContact O-N 3.14Å; S358-Q360 PolarHBondContact O-N 2.87Å
359S40.4Very low56.6Low116 Ų116113.1 Ų113.181%0.81163%0.634SS**SBendtrans-63.382.8176.751.70000110.9S357S357-S359 PolarHBondContact O-N 3.22Å
360Q41.9Very low55Low126 Ų126114.9 Ų114.959%0.58964%0.64SS**  trans-133.428.3160.2-84.2-169.5-36.200110.2S358 N362S358-Q360 PolarHBondContact O-N 2.87Å; Q360-N362 PolarHBondContact O-N 3.31Å
361E32.2Very low53.3Low162 Ų162117.8 Ų117.876%0.75764%0.642SS**  trans-77.8105.2170.7-157.2167.1-174.500108.6
362N29.2Very low51.4Low128 Ų128121 Ų12168%0.68466%0.66SS**  trans75.489.2165.7-57.2-33.9000118.9Q360Q360-N362 PolarHBondContact O-N 3.31Å
363A29.9Very low49.2Very low110 Ų110120.5 Ų120.591%0.90967%0.666SS**  trans-116.911.3155.400000113.6
364S31.5Very low46.8Very low109 Ų109127.8 Ų127.876%0.76271%0.706SS**  trans-118.156.1-179.646.10000111.8
365T31.1Very low44.1Very low117 Ų117127.1 Ų127.172%0.71872%0.718SS**SBendtrans-15162.8163.8-44.40000110
366E32.2Very low41.2Very low194 Ų194133.3 Ų133.391%0.90775%0.745SS**  trans-174.883.3161.8-108.9166.5-158.300111.9
367S35.2Very low38Very low124 Ų124137.8 Ų137.887%0.86777%0.774SS**  trans-161.466.8148.454.60000110
368K33.4Very low35.8Very low212 Ų212141 Ų14192%0.92278%0.78SS**  trans-79.5108.5151.9-93.9-176.8174.9179.30107.3
369Q34.1Very low33.7Very low269 Ų269151.5 Ų151.5100%1.25784%0.835SS**  trans-158.40138.1-109.4177.99.200109.8

Retrieved 369 of 369 residues in 179.7 ms (Link to these results)