A0A077Z8S0_TRITR Loading...

acetyl-CoA C-acetyltransferase

AlphaFold DB , UniProt , Accession A0A077Z8S0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 404 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
1M49.5Very low42.7Very low248 Ų248166.6 Ų166.6100%1.22284%0.838SS**  090.50-138.9-174.3-86.100107.4R3M1-R3 PolarHBondContact O-N 3.46Å
2I40Very low42.5Very low153 Ų153161 Ų16179%0.78583%0.826SS**  trans-84109.6-171.8-67169.3000108.2L4I2-L4 HydrophobicContact CG2-CD1 3.67Å
3R39.9Very low43Very low237 Ų237162.1 Ų162.189%0.89483%0.829SS**  trans-105.693.7161.7-94.4-175.4172.1-174.6-1.6107.5M1 L5M1-R3 PolarHBondContact O-N 3.46Å; R3-L5 PolarHBondContact O-N 3.1Å; R3-L5 VanDerWaalsContact O-N 3.11Å
4L42.1Very low43.2Very low137 Ų137158.1 Ų158.172%0.71782%0.822SS**  trans-64.3104.7160.3-104104000107.3I2 Y6I2-L4 HydrophobicContact CG2-CD1 3.67Å; L4-Y6 PolarHBondContact O-N 3.11Å; L4-Y6 VanDerWaalsContact O-N 3.1Å
5L42.6Very low44.5Very low161 Ų161154.1 Ų154.184%0.84381%0.808SS**  trans-71.497.3165.1-78.3161.3000107.5R3 A7R3-L5 PolarHBondContact O-N 3.1Å; R3-L5 VanDerWaalsContact O-N 3.11Å; L5-A7 PolarHBondContact O-N 2.84Å
6Y41.7Very low46.9Very low214 Ų214156.1 Ų156.184%0.83981%0.808SS**  trans-63.879.6157.7-104.1-97.4000108L4 G8L4-Y6 PolarHBondContact O-N 3.11Å; L4-Y6 VanDerWaalsContact O-N 3.1Å; Y6-G8 PolarHBondContact O-N 2.91Å
7A42.9Very low49.3Very low94 Ų94151.1 Ų151.178%0.77780%0.795SS**  trans-73.672.4160.800000107.4L5 A9L5-A7 PolarHBondContact O-N 2.84Å; A7-A9 PolarHBondContact O-N 2.78Å
8G41.2Very low51.9Low59 Ų59145.3 Ų145.361%0.60876%0.763SS**  trans-62.7101.916600000107.2Y6 K10Y6-G8 PolarHBondContact O-N 2.91Å; G8-K10 VanDerWaalsContact C-N 3.35Å; G8-K10 PolarHBondContact O-N 2.85Å
9A42.4Very low54.3Low92 Ų92142.4 Ų142.476%0.7674%0.743SS**  trans-53.7103.5167.400000107.4A7 R11A7-A9 PolarHBondContact O-N 2.78Å; A9-R11 PolarHBondContact O-N 2.97Å
10K43.2Very low56.5Low208 Ų208135.6 Ų135.690%0.90471%0.708SS**  trans-62.787.5162.6-79.2-176.3176.1-179.20105.8G8 S12G8-K10 VanDerWaalsContact C-N 3.35Å; G8-K10 PolarHBondContact O-N 2.85Å; K10-S12 VanDerWaalsContact C-N 3.28Å; K10-S12 PolarHBondContact O-N 2.88Å
11R44.3Very low58.5Low230 Ų230130.5 Ų130.587%0.86868%0.68SS**  trans-56.6103.4160.1-93.7-176.1170.2-178.7-2.4105.1A9 M13A9-R11 PolarHBondContact O-N 2.97Å; R11-M13 VanDerWaalsContact C-N 3.33Å; R11-M13 PolarHBondContact O-N 2.89Å
12S40.4Very low60.9Low99 Ų99118.7 Ų118.769%0.69262%0.622SS**  trans-53.9102.3167170.20000107K10 S14K10-S12 VanDerWaalsContact C-N 3.28Å; K10-S12 PolarHBondContact O-N 2.88Å; S12-S14 PolarHBondContact O-N 3.38Å
13M48.2Very low63.7Low175 Ų175111.8 Ų111.886%0.86259%0.586SS**  trans-79.819.8172.4-79.6-161.7-7800111.7R11 T15R11-M13 VanDerWaalsContact C-N 3.33Å; R11-M13 PolarHBondContact O-N 2.89Å; M13-T15 PolarHBondContact O-N 3.27Å
14S45.8Very low66.5Low106 Ų106100.8 Ų100.874%0.74155%0.546SS*.  trans-78.566.4166.4178.10000109.2S12 K16S12-S14 PolarHBondContact O-N 3.38Å; S14-K16 PolarHBondContact O-N 2.93Å
15T62.8Low69.2Low98 Ų9894.3 Ų94.360%0.60151%0.512SS*.  trans-74.811516350.10000107.1M13 A17M13-T15 PolarHBondContact O-N 3.27Å; T15-A17 PolarHBondContact O-N 3.34Å
16K83.2Confident71.8Confident186 Ų18686.7 Ų86.781%0.80947%0.472SS*.PPolyproline II helixtrans-46.1125.1171.5-176.2-179.6177.7-175.60108.8S14 Q18S14-K16 PolarHBondContact O-N 2.93Å; K16-Q18 PolarHBondContact O-N 3.04Å; K16-Q18 PolarHBondContact O-NE2 3.2Å
17A88.7Confident74.6Confident71 Ų7176.5 Ų76.559%0.58743%0.432SS*.PPolyproline II helixtrans-52.9133.3178.200000109.5T15T15-A17 PolarHBondContact O-N 3.34Å
18Q95Very high77.2Confident47 Ų4772 Ų7222%0.2240%0.395CS..PPolyproline II helixtrans-75.7149.4179.8-56.1-64.6-78.600110.3K16 A119 N121 N274K16-Q18 PolarHBondContact O-N 3.04Å; K16-Q18 PolarHBondContact O-NE2 3.2Å; Q18-A119 PolarHBondContact N-O 3.24Å; Q18-N121 WeakPolarHBondContact CG-ND2 3.22Å; Q18-N274 HydrophobicContact CB-CB 4.08Å
19K97.4Very high80Confident90 Ų9069.2 Ų69.239%0.39137%0.366SS..PPolyproline II helixtrans-65.7146.6166.4-70.9-175.6162.6-135.40110.4Y21 N274 E288K19-Y21 HydrophobicContact CB-CE1 4.32Å; K19-Y21 HydrophobicContact CB-CE2 3.82Å; K19-Y21 WeakPolarHBondContact CB-OH 3.17Å; K19-Y21 WeakPolarHBondContact CD-OH 3.17Å; K19-N274 WeakPolarHBondContact O-CA 3.41Å; K19-N274 WeakPolarHBondContact O-CB 3.31Å; K19-E288 WeakPolarHBondContact CE-OE1 3.5Å; K19-E288 VanDerWaalsContact NZ-CD 3.34Å; K19-E288 IonicContact NZ-OE1 3.03Å; K19-E288 PolarHBondContact NZ-OE1 3.16Å; K19-E288 IonicContact NZ-OE2 2.85Å; K19-E288 PolarHBondContact NZ-OE2 2.93Å
20V98.7Very high82.6Confident6 Ų664.8 Ų64.84%0.03633%0.33CS..EExtended strand (participates in β ladder)trans-117.7130.7178-179.90000108.9S115 L118 A119 E288 V289V20-S115 WeakPolarHBondContact CG2-O 3.28Å; V20-L118 HydrophobicContact CG1-CB 4.38Å; V20-L118 HydrophobicContact CG1-CD1 3.77Å; V20-L118 HydrophobicContact CG2-CB 3.85Å; V20-A119 HydrophobicContact CG2-CB 4.08Å; V20-E288 WeakPolarHBondContact O-CA 3.44Å; V20-V289 HydrophobicContact CB-CB 4.38Å; V20-V289 HydrophobicContact CG1-CB 4.4Å; V20-V289 HydrophobicContact CG1-CG2 4.4Å; V20-V289 PolarHBondContact O-N 2.93Å
21Y98.8Very high85.3Confident30 Ų3054.9 Ų54.912%0.11829%0.287CS..EExtended strand (participates in β ladder)trans-119.4143.6-175.8-57-74.9000111.3K19 L272 A273 E275 L278 P285 A287 E288 L404K19-Y21 HydrophobicContact CB-CE1 4.32Å; K19-Y21 HydrophobicContact CB-CE2 3.82Å; K19-Y21 WeakPolarHBondContact CB-OH 3.17Å; K19-Y21 WeakPolarHBondContact CD-OH 3.17Å; Y21-L272 CarbonylContact O-C 3.47Å; Y21-L272 VanDerWaalsContact O-CA 3.25Å; Y21-L272 WeakPolarHBondContact O-CA 3.36Å; Y21-A273 PolarHBondContact N-O 3.35Å; Y21-A273 PolarHBondContact O-N 2.89Å; Y21-E275 HydrophobicContact CE2-CG 3.71Å; Y21-E275 PolarHBondContact OH-OE1 3.13Å; Y21-L278 HydrophobicContact CD2-CD1 3.48Å; Y21-L278 VanDerWaalsContact CD2-CD1 3.48Å; Y21-L278 HydrophobicContact CE2-CD1 4.06Å; Y21-L278 HydrophobicContact CG-CD1 4.03Å; Y21-P285 HydrophobicContact CD1-CB 4.13Å; Y21-P285 HydrophobicContact CD1-CG 4.43Å; Y21-P285 HydrophobicContact CG-CB 3.95Å; Y21-P285 HydrophobicContact CG-CG 4.42Å; Y21-A287 CarbonylContact C-O 3.57Å; Y21-A287 VanDerWaalsContact CA-O 3.28Å; Y21-A287 WeakPolarHBondContact CA-O 3.44Å; Y21-E288 HydrophobicContact CD1-CB 4.12Å; Y21-E288 HydrophobicContact CD1-CG 4.42Å; Y21-E288 HydrophobicContact CE1-CB 4.27Å; Y21-E288 HydrophobicContact CE1-CG 4.31Å; Y21-L404 HydrophobicContact CD1-CD1 3.81Å; Y21-L404 HydrophobicContact CE1-CD1 4.17Å
22V98.9Very high87.9Confident0 Ų044.1 Ų44.10%025%0.247CC..EExtended strand (participates in β ladder)trans-85.4124.3163.7-177.10000107.5A25 M270 L272 P285 I286 A287 V289 V376V22-A25 HydrophobicContact CG1-CB 4.34Å; V22-M270 HydrophobicContact CB-CE 4.36Å; V22-M270 HydrophobicContact CG1-CE 3.52Å; V22-M270 HydrophobicContact CG2-CE 3.86Å; V22-L272 HydrophobicContact CB-CD2 4.33Å; V22-L272 HydrophobicContact CG2-CD2 3.77Å; V22-P285 CarbonylContact O-C 3.55Å; V22-P285 WeakPolarHBondContact O-CA 3.22Å; V22-I286 HydrophobicContact CB-CG1 4.25Å; V22-I286 HydrophobicContact CG1-CD1 4.08Å; V22-I286 HydrophobicContact CG1-CG1 3.98Å; V22-I286 VanDerWaalsContact O-CG1 3.32Å; V22-I286 WeakPolarHBondContact O-CG1 3.35Å; V22-I286 PolarHBondContact O-N 3.04Å; V22-A287 HydrophobicContact CB-CB 4.17Å; V22-A287 HydrophobicContact CG2-CB 4.35Å; V22-A287 PolarHBondContact N-O 3.44Å; V22-A287 PolarHBondContact O-N 3.28Å; V22-V289 HydrophobicContact CG2-CG2 3.98Å; V22-V376 HydrophobicContact CG1-CG1 4.49Å; V22-V376 HydrophobicContact CG1-CG2 4.45Å; V22-V376 HydrophobicContact CG2-CG1 4.32Å
23V98.7Very high90.6Very high7 Ų743.4 Ų43.44%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-97-39.5178.3-1720000110.9M59 V271 A273 L278 A283V23-M59 HydrophobicContact CG1-CE 4.21Å; V23-M59 HydrophobicContact CG2-CE 4.01Å; V23-V271 HydrophobicContact CB-CB 4.26Å; V23-V271 HydrophobicContact CB-CG1 4.1Å; V23-V271 HydrophobicContact CG2-CG1 4.3Å; V23-V271 PolarHBondContact N-O 3.27Å; V23-A273 HydrophobicContact CG2-CB 3.86Å; V23-L278 HydrophobicContact CG2-CD2 3.95Å; V23-A283 HydrophobicContact CG1-CB 3.74Å
24S98.7Very high93Very high6 Ų644.4 Ų44.44%0.04223%0.226CC..EExtended strand (participates in β ladder)trans-152.1155.9175.164.10000109.8A53 M270 V271S24-A53 WeakPolarHBondContact CB-O 3.36Å; S24-A53 VanDerWaalsContact OG-C 3.32Å; S24-A53 PolarHBondContact OG-O 3Å; S24-M270 CarbonylContact O-C 3.53Å; S24-M270 WeakPolarHBondContact O-CA 3.46Å; S24-V271 PolarHBondContact O-N 3.23Å; S24-V271 WeakPolarHBondContact OG-CB 3.36Å; S24-V271 WeakPolarHBondContact OG-CG2 3.11Å
25A98.8Very high95.5Very high2 Ų241.6 Ų41.62%0.01721%0.206CC..EExtended strand (participates in β ladder)trans-145.8126.1177.200000109.7V22 M270 T373 V376 H377V22-A25 HydrophobicContact CG1-CB 4.34Å; A25-M270 HydrophobicContact CB-CB 4.46Å; A25-M270 HydrophobicContact CB-CE 3.65Å; A25-M270 HydrophobicContact CB-CG 3.99Å; A25-T373 HydrophobicContact CB-CG2 3.82Å; A25-V376 HydrophobicContact CB-CG2 3.72Å; A25-H377 PolarHBondContact O-NE2 3.02Å
26C98.8Very high97.1Very high0 Ų038.4 Ų38.40%019%0.188CC..EExtended strand (participates in β ladder)trans-137.4151.2-173.8-61.30000110.4A52 A53 R56 E212 V214 C268 A269C26-A52 HydrophobicContact CB-CB 4.19Å; C26-A53 HydrophobicContact CB-CB 4.18Å; C26-A53 WeakPolarHBondContact SG-CA 3.38Å; C26-A53 PolarHBondContact SG-N 3.42Å; C26-R56 VanDerWaalsContact SG-CD 3.52Å; C26-R56 PolarHBondContact SG-NH1 3.03Å; C26-E212 CarbonylContact C-O 3.53Å; C26-E212 WeakPolarHBondContact CA-O 3.36Å; C26-V214 HydrophobicContact CB-CG2 3.88Å; C26-C268 CarbonylContact O-C 3.59Å; C26-C268 VanDerWaalsContact O-CA 3.32Å; C26-C268 WeakPolarHBondContact O-CA 3.3Å; C26-A269 PolarHBondContact N-O 3.18Å; C26-A269 PolarHBondContact O-N 2.86Å; C26-A269 VanDerWaalsContact O-O 3.14Å
27R98.9Very high97.8Very high0 Ų029.6 Ų29.60%015%0.149CC..EExtended strand (participates in β ladder)trans-141.4157.5170.865.2172.8-171.691.6-8.9112.1E212 V213 V214 D230 A267 C268 M366R27-E212 HydrophobicContact CG-CG 4.36Å; R27-E212 IonicContact CZ-OE1 2.81Å; R27-E212 PolarHBondContact N-O 3.16Å; R27-E212 IonicContact NE-OE1 3.14Å; R27-E212 PolarHBondContact NE-OE1 3.49Å; R27-E212 IonicContact NH2-OE1 2.98Å; R27-E212 PolarHBondContact NH2-OE1 3.32Å; R27-V213 HydrophobicContact CG-CG2 4.21Å; R27-V213 CarbonylContact O-C 3.57Å; R27-V213 WeakPolarHBondContact O-CA 3.17Å; R27-V214 PolarHBondContact O-N 2.92Å; R27-D230 IonicContact CZ-OD1 3.54Å; R27-D230 IonicContact CZ-OD2 3.9Å; R27-D230 IonicContact NH1-OD1 3.15Å; R27-D230 PolarHBondContact NH1-OD1 2.85Å; R27-D230 IonicContact NH1-OD2 3.98Å; R27-D230 PolarHBondContact NH1-OD2 3.39Å; R27-D230 IonicContact NH2-OD1 3.97Å; R27-D230 IonicContact NH2-OD2 2.68Å; R27-D230 PolarHBondContact NH2-OD2 3.14Å; R27-A267 CarbonylContact C-O 3.53Å; R27-A267 WeakPolarHBondContact CA-O 3.31Å; R27-A267 VanDerWaalsContact CB-O 3.31Å; R27-A267 WeakPolarHBondContact CB-O 3.33Å; R27-C268 HydrophobicContact CB-CB 3.99Å; R27-M366 HydrophobicContact CB-CE 4.09Å
28T98.9Very high98.3Very high0 Ų027.2 Ų27.20%013%0.129CC..PPolyproline II helixtrans-70.5165.4161.467.10000109.5L45 I48 V216 G266 A267T28-L45 HydrophobicContact CG2-CB 4.48Å; T28-L45 HydrophobicContact CG2-CD2 4.45Å; T28-I48 HydrophobicContact CG2-CB 4.44Å; T28-I48 HydrophobicContact CG2-CG2 4.36Å; T28-V216 HydrophobicContact CG2-CG2 3.7Å; T28-G266 WeakPolarHBondContact OG1-CA 3.41Å; T28-A267 HydrophobicContact CG2-CB 4.28Å; T28-A267 PolarHBondContact N-O 2.91Å; T28-A267 PolarHBondContact OG1-N 3.08Å; T28-A267 PolarHBondContact OG1-O 2.96Å
29P98.7Very high98.4Very high0 Ų029 Ų290%015%0.145CC..PPolyproline II helixtrans-55.6158155.9-18.330.9000110.1L37 V213 V214 V227 D230P29-L37 VanDerWaalsContact O-CD1 3.24Å; P29-L37 WeakPolarHBondContact O-CD1 3.32Å; P29-V213 HydrophobicContact CB-CG1 4.42Å; P29-V213 HydrophobicContact CG-CG1 3.72Å; P29-V214 VanDerWaalsContact CD-O 3.32Å; P29-V214 WeakPolarHBondContact CD-O 3.4Å; P29-V227 HydrophobicContact CB-CG1 4.11Å; P29-V227 HydrophobicContact CG-CG1 4.11Å; P29-V227 WeakPolarHBondContact CG-O 3.34Å; P29-D230 VanDerWaalsContact CA-OD1 3.32Å; P29-D230 WeakPolarHBondContact CA-OD1 3.42Å
30M98.8Very high98.4Very high0 Ų026 Ų260%013%0.133CC..PPolyproline II helixtrans-94.6116.5168.5-68.6-178.1-72.200109.2D230 E231 D265 L360 P363 M366 R370M30-D230 PolarHBondContact N-OD1 3.46Å; M30-E231 PolarHBondContact O-N 3.02Å; M30-D265 WeakPolarHBondContact CA-O 3.32Å; M30-L360 WeakPolarHBondContact CB-O 3.34Å; M30-L360 HydrophobicContact CE-CB 3.38Å; M30-L360 HydrophobicContact CE-CD1 4.29Å; M30-L360 HydrophobicContact CE-CG 4.38Å; M30-P363 HydrophobicContact CG-CG 3.91Å; M30-P363 HydrophobicContact SD-CG 3.95Å; M30-M366 HydrophobicContact CG-CE 3.84Å; M30-M366 HydrophobicContact SD-CE 4.03Å; M30-M366 HydrophobicContact SD-SD 4.22Å; M30-R370 VanDerWaalsContact CE-CD 3.44Å
31G98.6Very high98.4Very high0 Ų029.7 Ų29.70%015%0.149CC..EExtended strand (participates in β ladder)trans-86.4144.2176.600000110.5N264 D265G31-N264 VanDerWaalsContact O-CA 3.25Å; G31-N264 WeakPolarHBondContact O-CA 3.32Å; G31-N264 VanDerWaalsContact O-CB 3.22Å; G31-N264 WeakPolarHBondContact O-CB 3.32Å; G31-N264 PolarHBondContact O-ND2 2.97Å; G31-D265 PolarHBondContact N-O 2.85Å; G31-D265 PolarHBondContact O-N 3.5Å
32S98.7Very high98.4Very high3 Ų328.4 Ų28.42%0.02114%0.144CC..EExtended strand (participates in β ladder)trans-69.6155.9172.1-60.70000111.6R34 S35 E231 E232 K235S32-R34 PolarHBondContact O-N 3.16Å; S32-S35 WeakPolarHBondContact O-CB 3.49Å; S32-S35 PolarHBondContact O-N 3.44Å; S32-E231 PolarHBondContact N-OE2 3.04Å; S32-E231 VanDerWaalsContact N-OE2 3.08Å; S32-E232 WeakPolarHBondContact CA-OE2 3.43Å; S32-E232 WeakPolarHBondContact CB-OE2 3.47Å; S32-E232 PolarHBondContact OG-OE2 3.49Å; S32-K235 PolarHBondContact OG-NZ 3.47Å
33F98.6Very high98.4Very high84 Ų8428.5 Ų28.537%0.36815%0.145SC..THydrogen-bonded Turntrans-47.8125.6173.8-165.3-126.6000112.4S35 M134 L157 L263F33-S35 PolarHBondContact O-N 3.04Å; F33-M134 HydrophobicContact CD2-CB 4.43Å; F33-M134 WeakPolarHBondContact CE2-O 3.44Å; F33-L157 HydrophobicContact CE2-CD1 3.66Å; F33-L157 HydrophobicContact CZ-CD1 4.07Å; F33-L263 WeakPolarHBondContact CA-O 3.46Å; F33-L263 HydrophobicContact CB-CB 4.02Å; F33-L263 VanDerWaalsContact CB-O 3.31Å; F33-L263 WeakPolarHBondContact CB-O 3.18Å; F33-L263 HydrophobicContact CD1-CD1 4.33Å; F33-L263 HydrophobicContact CD2-CB 3.83Å; F33-L263 HydrophobicContact CD2-CD1 4.29Å; F33-L263 HydrophobicContact CE1-CD1 4.36Å; F33-L263 HydrophobicContact CE2-CD1 4.32Å; F33-L263 HydrophobicContact CG-CB 3.98Å; F33-L263 HydrophobicContact CG-CD1 4.29Å; F33-L263 HydrophobicContact CZ-CD1 4.37Å; F33-L263 PolarHBondContact N-O 3.02Å
34R97.6Very high98.4Very high197 Ų19732.4 Ų32.474%0.74316%0.161SC*.THydrogen-bonded Turntrans54.833.7178.8-58.3-173.264.9-171-1.2114.2S32 S135S32-R34 PolarHBondContact O-N 3.16Å; R34-S135 PolarHBondContact N-OG 3.03Å
35S97.3Very high98.4Very high46 Ų4632.1 Ų32.132%0.32216%0.159SC..SBendtrans-121.5-127-178.6-165.20000113.1S32 F33 L37 A38 E231S32-S35 WeakPolarHBondContact O-CB 3.49Å; S32-S35 PolarHBondContact O-N 3.44Å; F33-S35 PolarHBondContact O-N 3.04Å; S35-L37 PolarHBondContact O-N 3.32Å; S35-A38 WeakPolarHBondContact O-CB 3.46Å; S35-A38 PolarHBondContact O-N 3.03Å; S35-E231 WeakPolarHBondContact CB-OE1 3.4Å; S35-E231 WeakPolarHBondContact CB-OE2 3.29Å; S35-E231 VanDerWaalsContact OG-CD 3.25Å; S35-E231 PolarHBondContact OG-OE1 3.45Å; S35-E231 PolarHBondContact OG-OE2 3.1Å
36S97.4Very high98.4Very high32 Ų3232 Ų3222%0.22416%0.158CC..THydrogen-bonded Turntrans-59.9-36.9-163.556.80000114.7E231S36-E231 VanDerWaalsContact CB-OE2 3.32Å; S36-E231 WeakPolarHBondContact CB-OE2 3.39Å; S36-E231 PolarHBondContact N-OE2 2.72Å; S36-E231 PolarHBondContact OG-OE2 3.39Å
37L98.5Very high98.4Very high0 Ų032.1 Ų32.10%016%0.159CC..THydrogen-bonded Turntrans-101.8-4.4-179.2-62.7-175.6000114P29 S35 P39 L40 L45 V216 V218 V227 D265P29-L37 VanDerWaalsContact O-CD1 3.24Å; P29-L37 WeakPolarHBondContact O-CD1 3.32Å; S35-L37 PolarHBondContact O-N 3.32Å; L37-P39 VanDerWaalsContact C-N 3.27Å; L37-P39 VanDerWaalsContact O-N 3.13Å; L37-L40 PolarHBondContact O-N 3.4Å; L37-L45 HydrophobicContact CB-CD2 4.49Å; L37-L45 HydrophobicContact CD1-CD2 4.19Å; L37-L45 HydrophobicContact CD2-CD2 4.38Å; L37-V216 HydrophobicContact CD2-CB 4.03Å; L37-V216 HydrophobicContact CD2-CG1 3.78Å; L37-V216 HydrophobicContact CD2-CG2 4.46Å; L37-V218 HydrophobicContact CD2-CG2 4.09Å; L37-V227 HydrophobicContact CD2-CB 4.05Å; L37-V227 HydrophobicContact CD2-CG1 4.17Å; L37-V227 HydrophobicContact CD2-CG2 4.06Å; L37-D265 HydrophobicContact CB-CB 3.94Å
38A97.8Very high98.4Very high21 Ų2133.6 Ų33.617%0.17417%0.167CC..THydrogen-bonded Turntrans-55.4-30.2-176.800000115.3S35 L40 N136S35-A38 WeakPolarHBondContact O-CB 3.46Å; S35-A38 PolarHBondContact O-N 3.03Å; A38-L40 PolarHBondContact O-N 3.35Å; A38-N136 PolarHBondContact O-ND2 3.39Å
39P97.3Very high98.4Very high85 Ų8533.6 Ų33.655%0.55217%0.167SC*.THydrogen-bonded Turntrans-65.4-13.5174-24.936.6000115L37 V218L37-P39 VanDerWaalsContact C-N 3.27Å; L37-P39 VanDerWaalsContact O-N 3.13Å; P39-V218 HydrophobicContact CB-CG1 4.07Å; P39-V218 HydrophobicContact CG-CG1 3.87Å
40L98.1Very high98.4Very high26 Ų2633.6 Ų33.614%0.13617%0.167CC..SBendtrans-106126.7-175.5-57-175.8000111L37 A38 K44 L45 S133 N136 V216 V218L37-L40 PolarHBondContact O-N 3.4Å; A38-L40 PolarHBondContact O-N 3.35Å; L40-K44 HydrophobicContact CD2-CG 4.27Å; L40-L45 HydrophobicContact CB-CD2 3.96Å; L40-L45 HydrophobicContact CB-CG 4.15Å; L40-L45 HydrophobicContact CD1-CD2 3.79Å; L40-S133 PolarHBondContact O-OG 2.97Å; L40-N136 PolarHBondContact O-ND2 2.86Å; L40-V216 HydrophobicContact CD1-CG1 3.44Å; L40-V216 VanDerWaalsContact CD1-CG1 3.44Å; L40-V218 HydrophobicContact CD1-CG2 4.13Å
41K98.3Very high98.4Very high85 Ų8535.3 Ų35.337%0.3718%0.181SC..  trans-71.1156.2171.8-63.4-169.2175.4-166.10111.5K44 L45 F76K41-K44 WeakPolarHBondContact O-CB 3.38Å; K41-K44 PolarHBondContact O-N 3.15Å; K41-L45 PolarHBondContact O-N 2.93Å; K41-F76 PolarHBondContact NZ-O 2.77Å; K41-F76 VanDerWaalsContact NZ-O 3.16Å
42A98.9Very high98.4Very high2 Ų235.7 Ų35.72%0.01718%0.184CC..Hα-helixtrans-50.7-44.8-178.300000114.2K44 L45 G46 M131A42-K44 VanDerWaalsContact C-N 3.26Å; A42-K44 PolarHBondContact O-N 3.46Å; A42-L45 PolarHBondContact O-N 3.48Å; A42-G46 PolarHBondContact O-N 2.95Å; A42-M131 HydrophobicContact CB-CB 4.47Å; A42-M131 HydrophobicContact CB-CG 4.28Å
43P98.9Very high98.4Very high3 Ų335.6 Ų35.62%0.01918%0.183CC..Hα-helixtrans-60.6-32177.7-26.937.7000114.2G46 S47 P81 Q84 A85 M88P43-G46 PolarHBondContact O-N 3.24Å; P43-S47 PolarHBondContact O-N 3.07Å; P43-P81 HydrophobicContact CG-CB 4.15Å; P43-Q84 HydrophobicContact CB-CB 3.83Å; P43-Q84 HydrophobicContact CG-CB 4.43Å; P43-A85 WeakPolarHBondContact O-CA 3.47Å; P43-A85 WeakPolarHBondContact O-CB 3.26Å; P43-M88 VanDerWaalsContact C-CE 3.43Å; P43-M88 HydrophobicContact CB-CE 3.59Å; P43-M88 WeakPolarHBondContact O-CE 3.27Å
44K98.8Very high98.4Very high88 Ų8831.8 Ų31.838%0.38317%0.167SC..Hα-helixtrans-71.7-42177.8-178.758.8-173.4169.30111.1L40 K41 A42 G46 S47 I48 M88L40-K44 HydrophobicContact CD2-CG 4.27Å; K41-K44 WeakPolarHBondContact O-CB 3.38Å; K41-K44 PolarHBondContact O-N 3.15Å; A42-K44 VanDerWaalsContact C-N 3.26Å; A42-K44 PolarHBondContact O-N 3.46Å; K44-G46 VanDerWaalsContact C-N 3.33Å; K44-S47 PolarHBondContact O-N 3.25Å; K44-S47 PolarHBondContact O-OG 2.9Å; K44-I48 WeakPolarHBondContact O-CG1 3.45Å; K44-I48 PolarHBondContact O-N 3.08Å; K44-M88 HydrophobicContact CD-SD 4.21Å
45L98.9Very high98.4Very high0 Ų029.9 Ų29.90%017%0.167CC..Hα-helixtrans-60-46.6172-62172.9000110.2T28 L37 L40 K41 A42 S47 I48 A49 D265 A267T28-L45 HydrophobicContact CG2-CB 4.48Å; T28-L45 HydrophobicContact CG2-CD2 4.45Å; L37-L45 HydrophobicContact CB-CD2 4.49Å; L37-L45 HydrophobicContact CD1-CD2 4.19Å; L37-L45 HydrophobicContact CD2-CD2 4.38Å; L40-L45 HydrophobicContact CB-CD2 3.96Å; L40-L45 HydrophobicContact CB-CG 4.15Å; L40-L45 HydrophobicContact CD1-CD2 3.79Å; K41-L45 PolarHBondContact O-N 2.93Å; A42-L45 PolarHBondContact O-N 3.48Å; L45-S47 VanDerWaalsContact C-N 3.31Å; L45-S47 PolarHBondContact O-N 3.08Å; L45-I48 PolarHBondContact O-N 3.1Å; L45-I48 VanDerWaalsContact O-N 3.13Å; L45-A49 PolarHBondContact O-N 2.99Å; L45-A49 VanDerWaalsContact O-N 3.17Å; L45-D265 HydrophobicContact CD1-CB 4.09Å; L45-A267 HydrophobicContact CB-CB 3.72Å; L45-A267 WeakPolarHBondContact O-CB 3.42Å
46G98.9Very high98.4Very high0 Ų032.4 Ų32.40%017%0.169CC..Hα-helixtrans-52.7-46.8173.700000112.5A42 P43 K44 I48 A49 I50A42-G46 PolarHBondContact O-N 2.95Å; P43-G46 PolarHBondContact O-N 3.24Å; K44-G46 VanDerWaalsContact C-N 3.33Å; G46-I48 VanDerWaalsContact C-N 3.28Å; G46-I48 PolarHBondContact O-N 3.07Å; G46-A49 PolarHBondContact O-N 3.13Å; G46-I50 WeakPolarHBondContact O-CB 3.25Å; G46-I50 VanDerWaalsContact O-CG1 3.22Å; G46-I50 WeakPolarHBondContact O-CG1 3.4Å; G46-I50 PolarHBondContact O-N 3.38Å
47S98.9Very high98.4Very high2 Ų231.2 Ų31.21%0.01416%0.161CC..Hα-helixtrans-60.9-35.8179.576.20000113.8P43 K44 L45 A51 A85 M88 A89P43-S47 PolarHBondContact O-N 3.07Å; K44-S47 PolarHBondContact O-N 3.25Å; K44-S47 PolarHBondContact O-OG 2.9Å; L45-S47 VanDerWaalsContact C-N 3.31Å; L45-S47 PolarHBondContact O-N 3.08Å; S47-A51 VanDerWaalsContact O-CB 3.25Å; S47-A51 WeakPolarHBondContact O-CB 3.49Å; S47-A51 PolarHBondContact O-N 3.03Å; S47-A85 WeakPolarHBondContact CA-O 3.37Å; S47-A85 VanDerWaalsContact CB-O 3.28Å; S47-A85 WeakPolarHBondContact CB-O 3.38Å; S47-M88 VanDerWaalsContact CB-CB 3.47Å; S47-A89 WeakPolarHBondContact O-CB 3.28Å
48I98.9Very high98.3Very high31 Ų3134 Ų3416%0.15919%0.189CC..Hα-helixtrans-69.4-46.1-179.9-66.1165000109.4T28 K44 L45 G46 A52 V214 V216T28-I48 HydrophobicContact CG2-CB 4.44Å; T28-I48 HydrophobicContact CG2-CG2 4.36Å; K44-I48 WeakPolarHBondContact O-CG1 3.45Å; K44-I48 PolarHBondContact O-N 3.08Å; L45-I48 PolarHBondContact O-N 3.1Å; L45-I48 VanDerWaalsContact O-N 3.13Å; G46-I48 VanDerWaalsContact C-N 3.28Å; G46-I48 PolarHBondContact O-N 3.07Å; I48-A52 WeakPolarHBondContact O-CB 3.24Å; I48-A52 PolarHBondContact O-N 3.29Å; I48-A52 VanDerWaalsContact O-N 3.09Å; I48-V214 HydrophobicContact CG2-CG1 4.24Å; I48-V216 HydrophobicContact CD1-CB 4.49Å; I48-V216 HydrophobicContact CD1-CG1 3.82Å; I48-V216 HydrophobicContact CD1-CG2 4.19Å; I48-V216 HydrophobicContact CG2-CG2 4.27Å
49A98.9Very high98.2Very high0 Ų033.5 Ų33.50%018%0.183CC..Hα-helixtrans-62.4-44.917700000111.7L45 G46 A52 A53 A267 A269L45-A49 PolarHBondContact O-N 2.99Å; L45-A49 VanDerWaalsContact O-N 3.17Å; G46-A49 PolarHBondContact O-N 3.13Å; A49-A52 PolarHBondContact O-N 2.92Å; A49-A53 WeakPolarHBondContact O-CB 3.49Å; A49-A53 PolarHBondContact O-N 3.47Å; A49-A267 HydrophobicContact CB-CB 4.08Å; A49-A269 HydrophobicContact CB-CB 3.93Å
50I98.9Very high98Very high0 Ų032.5 Ų32.50%018%0.178CC..Hα-helixtrans-61.5-52.1178.2-67.1168.9000110.7G46 A52 A53 V54 V67 M69 A85 A89 L91 V127 A269G46-I50 WeakPolarHBondContact O-CB 3.25Å; G46-I50 VanDerWaalsContact O-CG1 3.22Å; G46-I50 WeakPolarHBondContact O-CG1 3.4Å; G46-I50 PolarHBondContact O-N 3.38Å; I50-A52 VanDerWaalsContact C-N 3.27Å; I50-A52 PolarHBondContact O-N 3Å; I50-A53 PolarHBondContact O-N 3.44Å; I50-A53 VanDerWaalsContact O-N 3.16Å; I50-V54 HydrophobicContact CG2-CG2 4.33Å; I50-V54 WeakPolarHBondContact O-CG2 3.3Å; I50-V54 PolarHBondContact O-N 2.79Å; I50-V67 HydrophobicContact CD1-CG1 4.18Å; I50-M69 HydrophobicContact CD1-CE 4.46Å; I50-M69 HydrophobicContact CD1-CG 4.2Å; I50-M69 HydrophobicContact CD1-SD 4.13Å; I50-M69 HydrophobicContact CG1-SD 4.26Å; I50-A85 HydrophobicContact CD1-CB 3.87Å; I50-A89 HydrophobicContact CB-CB 3.79Å; I50-A89 HydrophobicContact CG2-CB 3.55Å; I50-L91 HydrophobicContact CG2-CD1 3.95Å; I50-L91 HydrophobicContact CG2-CG 4.29Å; I50-V127 HydrophobicContact CG1-CG1 3.97Å; I50-V127 HydrophobicContact CG2-CG1 4.25Å; I50-A269 HydrophobicContact CB-CB 4.4Å; I50-A269 HydrophobicContact CG1-CB 3.8Å
51A98.8Very high98Very high37 Ų3733.9 Ų33.931%0.30619%0.189SC..Hα-helixtrans-57.4-44.1-178.300000111.2S47 V54 Q55 A89S47-A51 VanDerWaalsContact O-CB 3.25Å; S47-A51 WeakPolarHBondContact O-CB 3.49Å; S47-A51 PolarHBondContact O-N 3.03Å; A51-V54 PolarHBondContact O-N 3.19Å; A51-Q55 VanDerWaalsContact O-CB 3.32Å; A51-Q55 WeakPolarHBondContact O-CB 3.37Å; A51-Q55 PolarHBondContact O-N 3.35Å; A51-A89 HydrophobicContact CB-CB 4.1Å
52A98.7Very high97.9Very high8 Ų835.8 Ų35.87%0.06620%0.202CC..Hα-helixtrans-68.4-39.317800000113C26 I48 A49 I50 Q55 R56 V214C26-A52 HydrophobicContact CB-CB 4.19Å; I48-A52 WeakPolarHBondContact O-CB 3.24Å; I48-A52 PolarHBondContact O-N 3.29Å; I48-A52 VanDerWaalsContact O-N 3.09Å; A49-A52 PolarHBondContact O-N 2.92Å; I50-A52 VanDerWaalsContact C-N 3.27Å; I50-A52 PolarHBondContact O-N 3Å; A52-Q55 PolarHBondContact O-N 2.91Å; A52-R56 WeakPolarHBondContact O-CB 3.48Å; A52-R56 WeakPolarHBondContact O-CG 3.37Å; A52-R56 PolarHBondContact O-N 2.77Å; A52-V214 HydrophobicContact CB-CB 4.17Å; A52-V214 HydrophobicContact CB-CG1 3.78Å; A52-V214 HydrophobicContact CB-CG2 3.46Å; A52-V214 VanDerWaalsContact CB-CG2 3.46Å
53A98.7Very high97.7Very high0 Ų037.1 Ų37.10%021%0.213CC..Hα-helixtrans-61.8-47.7175.300000110.9S24 C26 A49 I50 Q55 R56 S57 A269 V271S24-A53 WeakPolarHBondContact CB-O 3.36Å; S24-A53 VanDerWaalsContact OG-C 3.32Å; S24-A53 PolarHBondContact OG-O 3Å; C26-A53 HydrophobicContact CB-CB 4.18Å; C26-A53 WeakPolarHBondContact SG-CA 3.38Å; C26-A53 PolarHBondContact SG-N 3.42Å; A49-A53 WeakPolarHBondContact O-CB 3.49Å; A49-A53 PolarHBondContact O-N 3.47Å; I50-A53 PolarHBondContact O-N 3.44Å; I50-A53 VanDerWaalsContact O-N 3.16Å; A53-Q55 PolarHBondContact O-N 3.49Å; A53-R56 PolarHBondContact O-N 3.16Å; A53-S57 WeakPolarHBondContact O-CB 3.28Å; A53-S57 PolarHBondContact O-N 3.14Å; A53-A269 HydrophobicContact CB-CB 4.24Å; A53-V271 HydrophobicContact CB-CG2 4.18Å
54V98.4Very high97.7Very high5 Ų537.1 Ų37.13%0.0321%0.213CC..Hα-helixtrans-60.8-47.2177.1175.50000110.7I50 A51 R56 S57 P61 V64 L91 V127 V271I50-V54 HydrophobicContact CG2-CG2 4.33Å; I50-V54 WeakPolarHBondContact O-CG2 3.3Å; I50-V54 PolarHBondContact O-N 2.79Å; A51-V54 PolarHBondContact O-N 3.19Å; V54-R56 PolarHBondContact O-N 3.01Å; V54-S57 WeakPolarHBondContact O-CB 3.34Å; V54-S57 PolarHBondContact O-N 2.79Å; V54-S57 PolarHBondContact O-OG 3.17Å; V54-P61 HydrophobicContact CG1-CB 4.36Å; V54-P61 HydrophobicContact CG1-CG 4.03Å; V54-V64 HydrophobicContact CG2-CG2 3.97Å; V54-L91 HydrophobicContact CG2-CD2 4.1Å; V54-V127 HydrophobicContact CG2-CG2 3.98Å; V54-V271 HydrophobicContact CG2-CG2 4.09Å
55Q97.6Very high97.7Very high156 Ų15636.2 Ų36.273%0.72921%0.21SC*.Hα-helixtrans-57.7-49.3176-176.2-175.4-5.200112.3A51 A52 A53 S57 G58A51-Q55 VanDerWaalsContact O-CB 3.32Å; A51-Q55 WeakPolarHBondContact O-CB 3.37Å; A51-Q55 PolarHBondContact O-N 3.35Å; A52-Q55 PolarHBondContact O-N 2.91Å; A53-Q55 PolarHBondContact O-N 3.49Å; Q55-S57 PolarHBondContact O-N 3.3Å; Q55-G58 PolarHBondContact O-N 3.15Å; Q55-G58 VanDerWaalsContact O-N 3.14Å
56R97.6Very high97.7Very high100 Ų10037 Ų3738%0.37721%0.214SC..Hα-helixtrans-67.8-23-179.6-71.5-167.3-169.8155.2-17.2113.3C26 A52 A53 V54 G58 E211 V213C26-R56 VanDerWaalsContact SG-CD 3.52Å; C26-R56 PolarHBondContact SG-NH1 3.03Å; A52-R56 WeakPolarHBondContact O-CB 3.48Å; A52-R56 WeakPolarHBondContact O-CG 3.37Å; A52-R56 PolarHBondContact O-N 2.77Å; A53-R56 PolarHBondContact O-N 3.16Å; V54-R56 PolarHBondContact O-N 3.01Å; R56-G58 PolarHBondContact O-N 3.36Å; R56-E211 VanDerWaalsContact CZ-O 3.25Å; R56-E211 PolarHBondContact NH1-O 2.92Å; R56-V213 PolarHBondContact NH2-O 2.95Å
57S97.3Very high97.7Very high7 Ų737 Ų375%0.04921%0.214CC..Hα-helixtrans-69.6-19.8174.576.90000113.1A53 V54 Q55 M59 A283A53-S57 WeakPolarHBondContact O-CB 3.28Å; A53-S57 PolarHBondContact O-N 3.14Å; V54-S57 WeakPolarHBondContact O-CB 3.34Å; V54-S57 PolarHBondContact O-N 2.79Å; V54-S57 PolarHBondContact O-OG 3.17Å; Q55-S57 PolarHBondContact O-N 3.3Å; S57-M59 PolarHBondContact O-N 3.37Å; S57-M59 WeakPolarHBondContact OG-CB 3.41Å; S57-M59 PolarHBondContact OG-N 2.85Å; S57-M59 VanDerWaalsContact OG-N 3.1Å; S57-A283 VanDerWaalsContact O-CB 3.26Å; S57-A283 WeakPolarHBondContact O-CB 3.49Å
58G95.8Very high97.7Very high57 Ų5738.6 Ų38.659%0.58822%0.22SC*.THydrogen-bonded Turntrans69.53.1-171.200000114.2Q55 R56Q55-G58 PolarHBondContact O-N 3.15Å; Q55-G58 VanDerWaalsContact O-N 3.14Å; R56-G58 PolarHBondContact O-N 3.36Å
59M94.9Very high97.7Very high12 Ų1237.1 Ų37.16%0.05921%0.212CC..  trans-84.1152.2175.5-60.5-175170.400111.3V23 S57 A63 V125 V271 A273 L278 T281 A283V23-M59 HydrophobicContact CG1-CE 4.21Å; V23-M59 HydrophobicContact CG2-CE 4.01Å; S57-M59 PolarHBondContact O-N 3.37Å; S57-M59 WeakPolarHBondContact OG-CB 3.41Å; S57-M59 PolarHBondContact OG-N 2.85Å; S57-M59 VanDerWaalsContact OG-N 3.1Å; M59-A63 HydrophobicContact CB-CB 4.49Å; M59-V125 HydrophobicContact CE-CG2 4.37Å; M59-V125 HydrophobicContact SD-CG1 3.74Å; M59-V125 HydrophobicContact SD-CG2 4.01Å; M59-V271 HydrophobicContact SD-CG1 4.04Å; M59-A273 HydrophobicContact CE-CB 4.14Å; M59-L278 HydrophobicContact CE-CD2 3.73Å; M59-T281 HydrophobicContact CE-CG2 3.99Å; M59-T281 HydrophobicContact CG-CG2 4.15Å; M59-T281 HydrophobicContact SD-CG2 4.37Å; M59-A283 HydrophobicContact CE-CB 3.58Å; M59-A283 HydrophobicContact CG-CB 3.86Å
60S94.7Very high97.7Very high63 Ų6337.1 Ų37.144%0.44121%0.212SC..  trans-65.4141.1171.1177.30000110.6L62 A63S60-L62 PolarHBondContact O-N 3.08Å; S60-L62 VanDerWaalsContact O-N 3.12Å; S60-L62 PolarHBondContact OG-N 3.35Å; S60-A63 VanDerWaalsContact O-CB 3.25Å; S60-A63 WeakPolarHBondContact O-CB 3.39Å; S60-A63 PolarHBondContact O-N 3.26Å
61P96.5Very high97.7Very high55 Ų5537.1 Ų37.136%0.35721%0.213SC..G310 helixtrans-51.8-30.9167.7-27.735.6000113.6V54 A63 V64 L91V54-P61 HydrophobicContact CG1-CB 4.36Å; V54-P61 HydrophobicContact CG1-CG 4.03Å; P61-A63 PolarHBondContact O-N 3.18Å; P61-V64 PolarHBondContact O-N 2.99Å; P61-L91 HydrophobicContact CB-CD2 3.96Å
62L96.2Very high97.7Very high125 Ų12535.5 Ų35.565%0.65420%0.199SC*.G310 helixtrans-67.6-18.7176.1-63.7179.1000113.6S60 V64 D92S60-L62 PolarHBondContact O-N 3.08Å; S60-L62 VanDerWaalsContact O-N 3.12Å; S60-L62 PolarHBondContact OG-N 3.35Å; L62-V64 VanDerWaalsContact C-N 3.32Å; L62-D92 HydrophobicContact CD2-CB 3.91Å
63A96.1Very high97.7Very high30 Ų3035.4 Ų35.425%0.24820%0.197CC..G310 helixtrans-76.2-22.417700000111.9M59 S60 P61 Q65 V125M59-A63 HydrophobicContact CB-CB 4.49Å; S60-A63 VanDerWaalsContact O-CB 3.25Å; S60-A63 WeakPolarHBondContact O-CB 3.39Å; S60-A63 PolarHBondContact O-N 3.26Å; P61-A63 PolarHBondContact O-N 3.18Å; A63-Q65 PolarHBondContact O-N 2.8Å; A63-V125 WeakPolarHBondContact O-CB 3.17Å
64V98.1Very high97.7Very high3 Ų338.5 Ų38.52%0.01821%0.212CC..  trans-73.2110.4-178.8-177.80000110V54 P61 L62 V67 L91 T95 V125 V127V54-V64 HydrophobicContact CG2-CG2 3.97Å; P61-V64 PolarHBondContact O-N 2.99Å; L62-V64 VanDerWaalsContact C-N 3.32Å; V64-V67 HydrophobicContact CG1-CG2 4.09Å; V64-L91 HydrophobicContact CB-CD1 4.33Å; V64-L91 HydrophobicContact CB-CD2 4.1Å; V64-L91 HydrophobicContact CG1-CD1 3.92Å; V64-L91 HydrophobicContact CG2-CD2 4.01Å; V64-T95 HydrophobicContact CG1-CG2 4.18Å; V64-T95 WeakPolarHBondContact O-CG2 3.21Å; V64-T95 PolarHBondContact O-OG1 2.89Å; V64-T95 VanDerWaalsContact O-OG1 3.11Å; V64-V125 HydrophobicContact CG2-CG1 4.47Å; V64-V127 HydrophobicContact CG1-CB 4.25Å; V64-V127 HydrophobicContact CG1-CG2 3.71Å; V64-V127 HydrophobicContact CG2-CG2 4Å
65Q98.3Very high97.7Very high69 Ų6939.9 Ų39.932%0.32222%0.223SC..  trans-89.9-22.5-173.7-61.7173.6-3100113.4A63 P96 V125A63-Q65 PolarHBondContact O-N 2.8Å; Q65-P96 WeakPolarHBondContact O-CD 3.5Å; Q65-P96 VanDerWaalsContact O-CG 3.31Å; Q65-P96 WeakPolarHBondContact O-CG 3.22Å; Q65-V125 WeakPolarHBondContact CB-O 3.38Å; Q65-V125 PolarHBondContact N-O 2.94Å
66E98.9Very high97.6Very high18 Ų1840 Ų408%0.08422%0.222CC..EExtended strand (participates in β ladder)trans-162.4150.8-179.7-169.8158.1173.300111.8Y68 P96 R123 M126 V127E66-Y68 HydrophobicContact CG-CD1 4.43Å; E66-Y68 HydrophobicContact CG-CE1 3.8Å; E66-Y68 WeakPolarHBondContact OE1-CE1 3.41Å; E66-Y68 VanDerWaalsContact OE1-CZ 3.25Å; E66-Y68 PolarHBondContact OE1-OH 2.73Å; E66-P96 WeakPolarHBondContact CA-O 3.45Å; E66-P96 HydrophobicContact CB-CG 4.02Å; E66-P96 HydrophobicContact CG-CB 4.28Å; E66-P96 HydrophobicContact CG-CG 3.87Å; E66-R123 HydrophobicContact CB-CG 4.36Å; E66-R123 IonicContact OE2-CZ 3.95Å; E66-R123 VanDerWaalsContact OE2-CZ 3.25Å; E66-R123 IonicContact OE2-NE 2.91Å; E66-R123 PolarHBondContact OE2-NE 3.28Å; E66-R123 IonicContact OE2-NH2 3.25Å; E66-R123 PolarHBondContact OE2-NH2 2.83Å; E66-M126 HydrophobicContact CB-CE 3.72Å; E66-M126 HydrophobicContact CB-CG 4.22Å; E66-M126 HydrophobicContact CG-CE 3.79Å; E66-M126 VanDerWaalsContact O-CA 3.32Å; E66-M126 WeakPolarHBondContact O-CA 3.44Å; E66-V127 PolarHBondContact O-N 3.34Å
67V99Very high97.6Very high0 Ų036 Ų360%021%0.209CC..EExtended strand (participates in β ladder)trans-126.6125-177.7-178.60000112I50 V64 M69 A86 L91 T95 P96 A97 T98 V127I50-V67 HydrophobicContact CD1-CG1 4.18Å; V64-V67 HydrophobicContact CG1-CG2 4.09Å; V67-M69 HydrophobicContact CG1-CG 3.86Å; V67-A86 HydrophobicContact CB-CB 4.4Å; V67-A86 HydrophobicContact CG2-CB 4.01Å; V67-L91 HydrophobicContact CG2-CD1 3.51Å; V67-T95 HydrophobicContact CG2-CG2 3.82Å; V67-P96 PolarHBondContact N-O 3.01Å; V67-A97 HydrophobicContact CB-CB 4.03Å; V67-A97 CarbonylContact O-C 3.51Å; V67-A97 WeakPolarHBondContact O-CA 3.31Å; V67-T98 PolarHBondContact O-N 3.07Å; V67-V127 CarbonylContact C-O 3.44Å; V67-V127 VanDerWaalsContact CA-O 3.3Å; V67-V127 WeakPolarHBondContact CA-O 3.23Å; V67-V127 HydrophobicContact CG1-CB 4.37Å; V67-V127 HydrophobicContact CG1-CG1 4.37Å; V67-V127 HydrophobicContact CG2-CB 4.17Å
68Y99Very high97.7Very high34 Ų3438.1 Ų38.113%0.13323%0.232CC..EExtended strand (participates in β ladder)trans-113.8121.6168.4-64.6-19.3000111.3E66 T98 L113 A114 M126 V127 A128 G129E66-Y68 HydrophobicContact CG-CD1 4.43Å; E66-Y68 HydrophobicContact CG-CE1 3.8Å; E66-Y68 WeakPolarHBondContact OE1-CE1 3.41Å; E66-Y68 VanDerWaalsContact OE1-CZ 3.25Å; E66-Y68 PolarHBondContact OE1-OH 2.73Å; Y68-T98 WeakPolarHBondContact CA-O 3.1Å; Y68-L113 HydrophobicContact CD2-CB 3.73Å; Y68-L113 HydrophobicContact CE2-CB 3.81Å; Y68-A114 HydrophobicContact CD2-CB 4.1Å; Y68-M126 HydrophobicContact CD2-CE 3.92Å; Y68-M126 HydrophobicContact CE1-CE 4.29Å; Y68-M126 HydrophobicContact CE2-CE 3.64Å; Y68-M126 HydrophobicContact CG-CE 4.37Å; Y68-V127 PolarHBondContact N-O 3.33Å; Y68-A128 CarbonylContact O-C 3.59Å; Y68-A128 VanDerWaalsContact O-CA 3.23Å; Y68-A128 WeakPolarHBondContact O-CA 3.32Å; Y68-G129 PolarHBondContact O-N 2.88Å
69M99Very high97.8Very high0 Ų044.1 Ų44.10%025%0.245CC..EExtended strand (participates in β ladder)trans-123.9122.3177.3-67.6-64.6-71.200110.6I50 V67 A82 T98 T99 I100 M131I50-M69 HydrophobicContact CD1-CE 4.46Å; I50-M69 HydrophobicContact CD1-CG 4.2Å; I50-M69 HydrophobicContact CD1-SD 4.13Å; I50-M69 HydrophobicContact CG1-SD 4.26Å; V67-M69 HydrophobicContact CG1-CG 3.86Å; M69-A82 HydrophobicContact CB-CB 3.92Å; M69-A82 HydrophobicContact CG-CB 4.34Å; M69-T98 PolarHBondContact N-O 2.9Å; M69-T98 VanDerWaalsContact N-O 3.16Å; M69-T99 WeakPolarHBondContact O-CA 3.18Å; M69-I100 PolarHBondContact O-N 3.35Å; M69-M131 HydrophobicContact CB-CE 4.11Å; M69-M131 HydrophobicContact CB-SD 4.43Å; M69-M131 HydrophobicContact CE-CB 4.07Å; M69-M131 HydrophobicContact CE-CG 4.21Å; M69-M131 HydrophobicContact CE-SD 4.17Å
70G99Very high98Very high0 Ų046.1 Ų46.10%026%0.263CS..EExtended strand (participates in β ladder)trans-63.9130.6167.800000111.5I100 G129 G130 M131G70-I100 CarbonylContact C-O 3.56Å; G70-I100 VanDerWaalsContact CA-O 3.29Å; G70-I100 WeakPolarHBondContact CA-O 3.3Å; G70-G129 PolarHBondContact N-O 3.17Å; G70-G130 CarbonylContact O-C 3.53Å; G70-G130 WeakPolarHBondContact O-CA 3.41Å; G70-M131 PolarHBondContact O-N 3.03Å
71H98.9Very high98.2Very high1 Ų143.5 Ų43.51%0.00524%0.244CC..  trans-160.7120.3176.2-176.324.9000109.8L73 Q74 T99 I100 M131 E132H71-L73 PolarHBondContact CE1-O 3.37Å; H71-Q74 HydrophobicContact CB-CG 4.49Å; H71-Q74 WeakPolarHBondContact O-CG 3.25Å; H71-Q74 PolarHBondContact O-NE2 2.95Å; H71-T99 HydrophobicContact CB-CG2 3.71Å; H71-I100 PolarHBondContact N-O 2.86Å; H71-M131 HydrophobicContact CB-CE 4.24Å; H71-M131 HydrophobicContact CB-CG 4.2Å; H71-M131 PolarHBondContact ND1-O 3.37Å; H71-E132 IonicContact CE1-OE1 3.83Å; H71-E132 PolarHBondContact CE1-OE1 2.86Å; H71-E132 IonicContact ND1-OE1 2.97Å; H71-E132 PolarHBondContact ND1-OE1 2.86Å; H71-E132 IonicContact ND1-OE2 3.3Å; H71-E132 PolarHBondContact ND1-OE2 2.92Å
72V98.9Very high98.3Very high3 Ų340.9 Ų40.92%0.01823%0.227CC..SBendtrans-92-55.3-171.5-173.70000110.8Q74 N101 V103 E132 I364V72-Q74 VanDerWaalsContact C-N 3.3Å; V72-Q74 PolarHBondContact O-N 2.91Å; V72-N101 PolarHBondContact O-ND2 3.26Å; V72-V103 HydrophobicContact CG1-CG1 4.25Å; V72-V103 VanDerWaalsContact CG2-C 3.49Å; V72-V103 WeakPolarHBondContact CG2-O 3.39Å; V72-E132 WeakPolarHBondContact CB-OE2 3.4Å; V72-E132 PolarHBondContact N-OE2 2.86Å; V72-I364 HydrophobicContact CB-CD1 3.7Å; V72-I364 HydrophobicContact CB-CG1 3.92Å; V72-I364 HydrophobicContact CG1-CD1 3.73Å; V72-I364 HydrophobicContact CG1-CG1 4.47Å; V72-I364 HydrophobicContact CG2-CB 4.43Å; V72-I364 HydrophobicContact CG2-CD1 4.01Å; V72-I364 HydrophobicContact CG2-CG1 3.87Å
73L98.7Very high98.4Very high5 Ų537.9 Ų37.93%0.02621%0.207CC..  trans-85.471.5-174-58.4174.5000110.6H71 A75 E132 M134 A137 L157 D160 I364H71-L73 PolarHBondContact CE1-O 3.37Å; L73-A75 VanDerWaalsContact C-N 3.34Å; L73-A75 PolarHBondContact O-N 2.8Å; L73-E132 PolarHBondContact N-OE1 2.82Å; L73-M134 HydrophobicContact CD1-CB 4.43Å; L73-M134 HydrophobicContact CD1-CG 4.03Å; L73-A137 HydrophobicContact CD1-CB 3.98Å; L73-L157 HydrophobicContact CD1-CB 4.35Å; L73-L157 HydrophobicContact CD1-CG 4.09Å; L73-D160 HydrophobicContact CD2-CB 3.83Å; L73-I364 HydrophobicContact CD1-CD1 4.39Å; L73-I364 HydrophobicContact CG-CD1 4.18Å
74Q98.7Very high98.5Very high66 Ų6639.2 Ų39.231%0.30821%0.208SC..  trans-79.9-14.4-170.7-61.5178.630.600113.7H71 V72 F76 T77 T99H71-Q74 HydrophobicContact CB-CG 4.49Å; H71-Q74 WeakPolarHBondContact O-CG 3.25Å; H71-Q74 PolarHBondContact O-NE2 2.95Å; V72-Q74 VanDerWaalsContact C-N 3.3Å; V72-Q74 PolarHBondContact O-N 2.91Å; Q74-F76 PolarHBondContact O-N 2.8Å; Q74-T77 WeakPolarHBondContact O-CB 3.46Å; Q74-T77 WeakPolarHBondContact O-CG2 3.38Å; Q74-T77 PolarHBondContact O-N 2.9Å; Q74-T77 PolarHBondContact O-OG1 2.87Å; Q74-T99 HydrophobicContact CG-CG2 4.35Å
75A98.2Very high98.6Very high33 Ų3339 Ų3927%0.27321%0.207SC..THydrogen-bonded Turntrans-59.8139.6-177.300000112.1L73 T77 P138 Y140L73-A75 VanDerWaalsContact C-N 3.34Å; L73-A75 PolarHBondContact O-N 2.8Å; A75-T77 PolarHBondContact O-N 3.08Å; A75-T77 VanDerWaalsContact O-N 3.1Å; A75-P138 HydrophobicContact CB-CG 4.08Å; A75-Y140 HydrophobicContact CB-CE1 3.39Å; A75-Y140 WeakPolarHBondContact CB-OH 3.39Å
76F96.3Very high98.6Very high158 Ų15835.8 Ų35.869%0.69319%0.192SC*.THydrogen-bonded Turntrans61.115.7178.3-159.3-116000115.9K41 Q74 P138K41-F76 PolarHBondContact NZ-O 2.77Å; K41-F76 VanDerWaalsContact NZ-O 3.16Å; Q74-F76 PolarHBondContact O-N 2.8Å; F76-P138 HydrophobicContact CB-CB 4.17Å; F76-P138 HydrophobicContact CB-CG 3.72Å
77T97.9Very high98.6Very high17 Ų1738.4 Ų38.410%0.10421%0.206CC..SBendtrans-89.9-10.6173.966.20000113.2Q74 A75 P81 Q84Q74-T77 WeakPolarHBondContact O-CB 3.46Å; Q74-T77 WeakPolarHBondContact O-CG2 3.38Å; Q74-T77 PolarHBondContact O-N 2.9Å; Q74-T77 PolarHBondContact O-OG1 2.87Å; A75-T77 PolarHBondContact O-N 3.08Å; A75-T77 VanDerWaalsContact O-N 3.1Å; T77-P81 VanDerWaalsContact OG1-CG 3.23Å; T77-P81 WeakPolarHBondContact OG1-CG 3.42Å; T77-Q84 PolarHBondContact O-NE2 3.05Å; T77-Q84 PolarHBondContact O-OE1 2.53Å
78G98.2Very high98.6Very high52 Ų5242.6 Ų42.654%0.53623%0.227SC..  trans91.2-179.2-177.200000112.9
79Q98.5Very high98.6Very high183 Ų18341.9 Ų41.986%0.85523%0.228SC*.SBendtrans-68.8138.8-177.6-68-177-1.700111.7Q84Q79-Q84 WeakPolarHBondContact O-CG 3.32Å; Q79-Q84 PolarHBondContact O-NE2 2.68Å
80A98.5Very high98.6Very high54 Ų5444.4 Ų44.445%0.44625%0.254SS..  trans47.569.7172.700000115A82 R83 Q84A80-A82 PolarHBondContact O-N 2.97Å; A80-R83 HydrophobicContact CB-CB 3.73Å; A80-R83 WeakPolarHBondContact O-CA 3.28Å; A80-R83 VanDerWaalsContact O-CB 3.29Å; A80-R83 WeakPolarHBondContact O-CB 3.46Å; A80-R83 PolarHBondContact O-N 3.27Å; A80-Q84 PolarHBondContact O-N 3.31Å
81P98.9Very high98.5Very high7 Ų744.9 Ų44.95%0.04526%0.257CS..Hα-helixtrans-52.1-44.2-175.9-32.338.8000115.5P43 T77 R83 Q84 A85 T99 M131P43-P81 HydrophobicContact CG-CB 4.15Å; T77-P81 VanDerWaalsContact OG1-CG 3.23Å; T77-P81 WeakPolarHBondContact OG1-CG 3.42Å; P81-R83 VanDerWaalsContact C-N 3.26Å; P81-R83 PolarHBondContact O-N 2.86Å; P81-Q84 WeakPolarHBondContact O-CB 3.28Å; P81-Q84 PolarHBondContact O-N 2.6Å; P81-A85 PolarHBondContact O-N 2.96Å; P81-T99 HydrophobicContact CB-CG2 4.29Å; P81-T99 WeakPolarHBondContact CD-OG1 3.12Å; P81-M131 HydrophobicContact CB-CE 3.74Å
82A98.9Very high98.5Very high0 Ų047.5 Ų47.50%027%0.27CS..Hα-helixtrans-61-36.5176.700000112.1M69 A80 A85 A86 A97 T98 T99M69-A82 HydrophobicContact CB-CB 3.92Å; M69-A82 HydrophobicContact CG-CB 4.34Å; A80-A82 PolarHBondContact O-N 2.97Å; A82-A85 PolarHBondContact O-N 2.99Å; A82-A86 WeakPolarHBondContact O-CB 3.42Å; A82-A86 PolarHBondContact O-N 3.11Å; A82-A97 HydrophobicContact CB-CB 4.16Å; A82-T98 WeakPolarHBondContact CB-O 2.95Å; A82-T99 WeakPolarHBondContact CB-OG1 3.47Å; A82-T99 PolarHBondContact N-OG1 3.33Å
83R98.8Very high98.5Very high62 Ų6252.7 Ų52.723%0.23430%0.302CS..Hα-helixtrans-68.7-41176.7-175.459.6170.7154.28.9111.8A80 P81 A85 A86 L87 D92 V93 T95 A97A80-R83 HydrophobicContact CB-CB 3.73Å; A80-R83 WeakPolarHBondContact O-CA 3.28Å; A80-R83 VanDerWaalsContact O-CB 3.29Å; A80-R83 WeakPolarHBondContact O-CB 3.46Å; A80-R83 PolarHBondContact O-N 3.27Å; P81-R83 VanDerWaalsContact C-N 3.26Å; P81-R83 PolarHBondContact O-N 2.86Å; R83-A85 VanDerWaalsContact C-N 3.31Å; R83-A85 PolarHBondContact O-N 3.5Å; R83-A86 PolarHBondContact O-N 2.89Å; R83-L87 HydrophobicContact CG-CD1 4.12Å; R83-L87 WeakPolarHBondContact O-CB 3.23Å; R83-L87 WeakPolarHBondContact O-CG 3.49Å; R83-L87 PolarHBondContact O-N 3.03Å; R83-D92 PolarHBondContact NH1-O 3.47Å; R83-V93 PolarHBondContact NH1-O 2.53Å; R83-V93 PolarHBondContact NH2-O 2.67Å; R83-T95 PolarHBondContact NH1-O 3.37Å; R83-A97 HydrophobicContact CB-CB 4Å
84Q98.9Very high98.4Very high58 Ų5856.8 Ų56.827%0.27133%0.331SS..Hα-helixtrans-57.7-46.5172.6-64178.747.900110.7P43 T77 Q79 A80 P81 M88P43-Q84 HydrophobicContact CB-CB 3.83Å; P43-Q84 HydrophobicContact CG-CB 4.43Å; T77-Q84 PolarHBondContact O-NE2 3.05Å; T77-Q84 PolarHBondContact O-OE1 2.53Å; Q79-Q84 WeakPolarHBondContact O-CG 3.32Å; Q79-Q84 PolarHBondContact O-NE2 2.68Å; A80-Q84 PolarHBondContact O-N 3.31Å; P81-Q84 WeakPolarHBondContact O-CB 3.28Å; P81-Q84 PolarHBondContact O-N 2.6Å; Q84-M88 HydrophobicContact CB-CE 4.05Å; Q84-M88 WeakPolarHBondContact O-CB 3.36Å; Q84-M88 VanDerWaalsContact O-CE 3.31Å; Q84-M88 WeakPolarHBondContact O-CE 3.45Å; Q84-M88 VanDerWaalsContact O-CG 3.31Å; Q84-M88 WeakPolarHBondContact O-CG 3.31Å; Q84-M88 PolarHBondContact O-N 2.9Å
85A98.9Very high98.4Very high0 Ų053.8 Ų53.80%032%0.317CS..Hα-helixtrans-61.8-46.7178.500000112.4P43 S47 I50 P81 A82 R83 M88 A89 M131P43-A85 WeakPolarHBondContact O-CA 3.47Å; P43-A85 WeakPolarHBondContact O-CB 3.26Å; S47-A85 WeakPolarHBondContact CA-O 3.37Å; S47-A85 VanDerWaalsContact CB-O 3.28Å; S47-A85 WeakPolarHBondContact CB-O 3.38Å; I50-A85 HydrophobicContact CD1-CB 3.87Å; P81-A85 PolarHBondContact O-N 2.96Å; A82-A85 PolarHBondContact O-N 2.99Å; R83-A85 VanDerWaalsContact C-N 3.31Å; R83-A85 PolarHBondContact O-N 3.5Å; A85-M88 PolarHBondContact O-N 3.18Å; A85-A89 WeakPolarHBondContact O-CB 3.18Å; A85-A89 PolarHBondContact O-N 2.96Å; A85-M131 HydrophobicContact CB-CE 4.31Å; A85-M131 HydrophobicContact CB-SD 3.87Å
86A98.9Very high98.5Very high0 Ų054.7 Ų54.70%032%0.32CS..Hα-helixtrans-58.9-48.7177.800000112.3V67 A82 R83 A89 L91 A97V67-A86 HydrophobicContact CB-CB 4.4Å; V67-A86 HydrophobicContact CG2-CB 4.01Å; A82-A86 WeakPolarHBondContact O-CB 3.42Å; A82-A86 PolarHBondContact O-N 3.11Å; R83-A86 PolarHBondContact O-N 2.89Å; A86-A89 WeakPolarHBondContact O-CB 3.39Å; A86-A89 PolarHBondContact O-N 2.83Å; A86-L91 HydrophobicContact CB-CD1 4.05Å; A86-L91 WeakPolarHBondContact O-CB 3.47Å; A86-L91 PolarHBondContact O-N 2.85Å; A86-A97 HydrophobicContact CB-CB 4.4Å
87L98.8Very high98.6Very high74 Ų7448.3 Ų48.339%0.38730%0.297SS..Hα-helixtrans-66.1-44.1179.8-69.9175.7000112R83 A89 G90 V93R83-L87 HydrophobicContact CG-CD1 4.12Å; R83-L87 WeakPolarHBondContact O-CB 3.23Å; R83-L87 WeakPolarHBondContact O-CG 3.49Å; R83-L87 PolarHBondContact O-N 3.03Å; L87-A89 PolarHBondContact O-N 2.81Å; L87-G90 PolarHBondContact O-N 3.01Å; L87-V93 HydrophobicContact CD2-CG1 4.17Å
88M98.7Very high98.6Very high88 Ų8850.5 Ų50.543%0.43331%0.31SS..Hα-helixtrans-65.8-21.7176.7-74.8-171.6-70.700113.3P43 K44 S47 Q84 A85P43-M88 VanDerWaalsContact C-CE 3.43Å; P43-M88 HydrophobicContact CB-CE 3.59Å; P43-M88 WeakPolarHBondContact O-CE 3.27Å; K44-M88 HydrophobicContact CD-SD 4.21Å; S47-M88 VanDerWaalsContact CB-CB 3.47Å; Q84-M88 HydrophobicContact CB-CE 4.05Å; Q84-M88 WeakPolarHBondContact O-CB 3.36Å; Q84-M88 VanDerWaalsContact O-CE 3.31Å; Q84-M88 WeakPolarHBondContact O-CE 3.45Å; Q84-M88 VanDerWaalsContact O-CG 3.31Å; Q84-M88 WeakPolarHBondContact O-CG 3.31Å; Q84-M88 PolarHBondContact O-N 2.9Å; A85-M88 PolarHBondContact O-N 3.18Å
89A98.7Very high98.7Very high19 Ų1949.5 Ų49.516%0.15729%0.294CS..THydrogen-bonded Turntrans-79.3-6174.600000113.1S47 I50 A51 A85 A86 L87S47-A89 WeakPolarHBondContact O-CB 3.28Å; I50-A89 HydrophobicContact CB-CB 3.79Å; I50-A89 HydrophobicContact CG2-CB 3.55Å; A51-A89 HydrophobicContact CB-CB 4.1Å; A85-A89 WeakPolarHBondContact O-CB 3.18Å; A85-A89 PolarHBondContact O-N 2.96Å; A86-A89 WeakPolarHBondContact O-CB 3.39Å; A86-A89 PolarHBondContact O-N 2.83Å; L87-A89 PolarHBondContact O-N 2.81Å
90G98.3Very high98.7Very high52 Ų5241.9 Ų41.954%0.53626%0.258SS..THydrogen-bonded Turntrans81.620.2-176.900000114.1L87L87-G90 PolarHBondContact O-N 3.01Å
91L98.7Very high98.7Very high11 Ų1143.3 Ų43.36%0.05826%0.259CS..  trans-71.1160.1168.4-62.4-173.4000111I50 V54 P61 V64 V67 A86 T95I50-L91 HydrophobicContact CG2-CD1 3.95Å; I50-L91 HydrophobicContact CG2-CG 4.29Å; V54-L91 HydrophobicContact CG2-CD2 4.1Å; P61-L91 HydrophobicContact CB-CD2 3.96Å; V64-L91 HydrophobicContact CB-CD1 4.33Å; V64-L91 HydrophobicContact CB-CD2 4.1Å; V64-L91 HydrophobicContact CG1-CD1 3.92Å; V64-L91 HydrophobicContact CG2-CD2 4.01Å; V67-L91 HydrophobicContact CG2-CD1 3.51Å; A86-L91 HydrophobicContact CB-CD1 4.05Å; A86-L91 WeakPolarHBondContact O-CB 3.47Å; A86-L91 PolarHBondContact O-N 2.85Å; L91-T95 HydrophobicContact CD1-CG2 4.33Å
92D98.2Very high98.7Very high55 Ų5545.1 Ų45.129%0.29427%0.266SS..  trans-63.7148.8-177.7-166.4-104.3000112.5L62 R83 S94 T95L62-D92 HydrophobicContact CD2-CB 3.91Å; R83-D92 PolarHBondContact NH1-O 3.47Å; D92-S94 PolarHBondContact O-N 2.95Å; D92-S94 WeakPolarHBondContact OD1-CA 3.46Å; D92-S94 WeakPolarHBondContact OD1-CB 3.4Å; D92-S94 PolarHBondContact OD1-N 3.44Å; D92-S94 PolarHBondContact OD1-OG 3.31Å; D92-T95 WeakPolarHBondContact O-CB 3.28Å; D92-T95 PolarHBondContact O-N 2.94Å; D92-T95 PolarHBondContact O-OG1 3.24Å
93V98.1Very high98.7Very high112 Ų11246.5 Ų46.568%0.67927%0.274SS*.THydrogen-bonded Turntrans-65.7-17.4176-62.80000112.2R83 L87R83-V93 PolarHBondContact NH1-O 2.53Å; R83-V93 PolarHBondContact NH2-O 2.67Å; L87-V93 HydrophobicContact CD2-CG1 4.17Å
94S97.9Very high98.6Very high91 Ų9144.2 Ų44.264%0.63627%0.268SS*.THydrogen-bonded Turntrans-80.4-12.9172.468.40000114.1D92 P96D92-S94 PolarHBondContact O-N 2.95Å; D92-S94 WeakPolarHBondContact OD1-CA 3.46Å; D92-S94 WeakPolarHBondContact OD1-CB 3.4Å; D92-S94 PolarHBondContact OD1-N 3.44Å; D92-S94 PolarHBondContact OD1-OG 3.31Å; S94-P96 WeakPolarHBondContact O-CD 3.44Å
95T98.7Very high98.6Very high3 Ų341.5 Ų41.52%0.01826%0.255CS..  trans-71.1104.4-175.8-54.30000112.5V64 V67 R83 L91 D92V64-T95 HydrophobicContact CG1-CG2 4.18Å; V64-T95 WeakPolarHBondContact O-CG2 3.21Å; V64-T95 PolarHBondContact O-OG1 2.89Å; V64-T95 VanDerWaalsContact O-OG1 3.11Å; V67-T95 HydrophobicContact CG2-CG2 3.82Å; R83-T95 PolarHBondContact NH1-O 3.37Å; L91-T95 HydrophobicContact CD1-CG2 4.33Å; D92-T95 WeakPolarHBondContact O-CB 3.28Å; D92-T95 PolarHBondContact O-N 2.94Å; D92-T95 PolarHBondContact O-OG1 3.24Å
96P98.7Very high98.6Very high53 Ų5341.5 Ų41.534%0.34426%0.255SS..  trans-56.8149172.723.4-36000112.1Q65 E66 V67 S94Q65-P96 WeakPolarHBondContact O-CD 3.5Å; Q65-P96 VanDerWaalsContact O-CG 3.31Å; Q65-P96 WeakPolarHBondContact O-CG 3.22Å; E66-P96 WeakPolarHBondContact CA-O 3.45Å; E66-P96 HydrophobicContact CB-CG 4.02Å; E66-P96 HydrophobicContact CG-CB 4.28Å; E66-P96 HydrophobicContact CG-CG 3.87Å; V67-P96 PolarHBondContact N-O 3.01Å; S94-P96 WeakPolarHBondContact O-CD 3.44Å
97A98.9Very high98.6Very high24 Ų2441.5 Ų41.520%0.19826%0.255CS..EExtended strand (participates in β ladder)trans-144138.2177.600000112V67 A82 R83 A86V67-A97 HydrophobicContact CB-CB 4.03Å; V67-A97 CarbonylContact O-C 3.51Å; V67-A97 WeakPolarHBondContact O-CA 3.31Å; A82-A97 HydrophobicContact CB-CB 4.16Å; R83-A97 HydrophobicContact CB-CB 4Å; A86-A97 HydrophobicContact CB-CB 4.4Å
98T99Very high98.6Very high62 Ų6238 Ų3838%0.3824%0.236SC..EExtended strand (participates in β ladder)trans-126.7129.8-179.6-52.40000110.2V67 Y68 M69 A82 I100V67-T98 PolarHBondContact O-N 3.07Å; Y68-T98 WeakPolarHBondContact CA-O 3.1Å; M69-T98 PolarHBondContact N-O 2.9Å; M69-T98 VanDerWaalsContact N-O 3.16Å; A82-T98 WeakPolarHBondContact CB-O 2.95Å; T98-I100 HydrophobicContact CG2-CD1 3.83Å
99T99Very high98.6Very high31 Ų3135.6 Ų35.619%0.1922%0.224CC..EExtended strand (participates in β ladder)trans-86.2127172.7-49.10000109.1M69 H71 Q74 P81 A82M69-T99 WeakPolarHBondContact O-CA 3.18Å; H71-T99 HydrophobicContact CB-CG2 3.71Å; Q74-T99 HydrophobicContact CG-CG2 4.35Å; P81-T99 HydrophobicContact CB-CG2 4.29Å; P81-T99 WeakPolarHBondContact CD-OG1 3.12Å; A82-T99 WeakPolarHBondContact CB-OG1 3.47Å; A82-T99 PolarHBondContact N-OG1 3.33Å
100I98.9Very high98.7Very high23 Ų2334.7 Ų34.712%0.11822%0.216CC..EExtended strand (participates in β ladder)trans-106.7134-177.5-54.3-58.6000109.5M69 G70 H71 T98 K109 A110 L113M69-I100 PolarHBondContact O-N 3.35Å; G70-I100 CarbonylContact C-O 3.56Å; G70-I100 VanDerWaalsContact CA-O 3.29Å; G70-I100 WeakPolarHBondContact CA-O 3.3Å; H71-I100 PolarHBondContact N-O 2.86Å; T98-I100 HydrophobicContact CG2-CD1 3.83Å; I100-K109 HydrophobicContact CG2-CB 4.24Å; I100-K109 HydrophobicContact CG2-CG 4.04Å; I100-A110 HydrophobicContact CG1-CB 4.29Å; I100-L113 HydrophobicContact CD1-CD1 3.66Å; I100-L113 HydrophobicContact CG1-CD1 4.14Å; I100-L113 HydrophobicContact CG2-CD1 4.28Å
101N98.9Very high98.7Very high85 Ų8532.2 Ų32.246%0.45519%0.191SC..  trans-124.6111.7170.7-170.3-7.6000110.2V72 V103V72-N101 PolarHBondContact O-ND2 3.26Å; N101-V103 PolarHBondContact OD1-N 3.07Å
102K98.8Very high98.7Very high44 Ų4431.8 Ų31.819%0.19119%0.189CC..  trans-13343.3165.8-165.7175179.4-78.90108.7C104 A105 S106 K109 D294 N391 A396 S397K102-C104 PolarHBondContact O-N 2.84Å; K102-A105 HydrophobicContact CD-CB 4.36Å; K102-A105 HydrophobicContact CG-CB 4.27Å; K102-A105 PolarHBondContact O-N 3.21Å; K102-S106 PolarHBondContact N-OG 3.06Å; K102-S106 PolarHBondContact O-N 3.12Å; K102-K109 HydrophobicContact CB-CB 4.18Å; K102-K109 HydrophobicContact CB-CG 4.36Å; K102-K109 HydrophobicContact CD-CB 4Å; K102-K109 HydrophobicContact CD-CD 4.07Å; K102-K109 HydrophobicContact CD-CG 3.88Å; K102-D294 WeakPolarHBondContact CE-OD1 3.32Å; K102-D294 IonicContact NZ-OD1 3.85Å; K102-D294 PolarHBondContact NZ-OD1 2.87Å; K102-N391 PolarHBondContact NZ-OD1 3.25Å; K102-N391 VanDerWaalsContact O-CB 3.29Å; K102-N391 WeakPolarHBondContact O-CB 3.22Å; K102-A396 PolarHBondContact NZ-O 3.32Å; K102-S397 PolarHBondContact NZ-OG 2.88Å
103V98.5Very high98.7Very high30 Ų3031.4 Ų31.418%0.18219%0.186CC..G310 helixtrans45.9-130.5-174.4-1620000110.6V72 N101 A105 S106 N391V72-V103 HydrophobicContact CG1-CG1 4.25Å; V72-V103 VanDerWaalsContact CG2-C 3.49Å; V72-V103 WeakPolarHBondContact CG2-O 3.39Å; N101-V103 PolarHBondContact OD1-N 3.07Å; V103-A105 PolarHBondContact O-N 3.3Å; V103-S106 PolarHBondContact N-OG 3.12Å; V103-S106 VanDerWaalsContact O-CB 3.28Å; V103-S106 WeakPolarHBondContact O-CB 3.42Å; V103-S106 PolarHBondContact O-N 3.03Å; V103-S106 PolarHBondContact O-OG 2.84Å; V103-N391 HydrophobicContact CB-CB 4.1Å
104C98.3Very high98.8Very high14 Ų1426 Ų2610%0.09515%0.154CC..G310 helixtrans-61.4-20.1-176.5-54.60000114.2K102 H362 I364 C390 N391K102-C104 PolarHBondContact O-N 2.84Å; C104-H362 PolarHBondContact SG-NE2 3.12Å; C104-H362 VanDerWaalsContact SG-NE2 3.4Å; C104-I364 WeakPolarHBondContact CA-O 3.32Å; C104-C390 VanDerWaalsContact CB-O 3.26Å; C104-C390 WeakPolarHBondContact CB-O 3.38Å; C104-N391 HydrophobicContact CB-CB 4.43Å
105A98.7Very high98.8Very high0 Ų021.7 Ų21.70%012%0.124CC..G310 helixtrans-88.92177.300000113.4K102 V103 G107 L108 K109 N391 S397K102-A105 HydrophobicContact CD-CB 4.36Å; K102-A105 HydrophobicContact CG-CB 4.27Å; K102-A105 PolarHBondContact O-N 3.21Å; V103-A105 PolarHBondContact O-N 3.3Å; A105-G107 VanDerWaalsContact C-N 3.32Å; A105-G107 PolarHBondContact O-N 3.25Å; A105-L108 PolarHBondContact O-N 3.02Å; A105-L108 VanDerWaalsContact O-N 3.14Å; A105-K109 WeakPolarHBondContact O-CB 3.41Å; A105-K109 PolarHBondContact O-N 3.1Å; A105-N391 HydrophobicContact CB-CB 3.85Å; A105-S397 WeakPolarHBondContact CB-OG 3.13Å
106S98.9Very high98.8Very high0 Ų025.4 Ų25.40%014%0.14CC..Hα-helixtrans-54.8-43.6-175.7-60.10000113.3K102 V103 K109 A110K102-S106 PolarHBondContact N-OG 3.06Å; K102-S106 PolarHBondContact O-N 3.12Å; V103-S106 PolarHBondContact N-OG 3.12Å; V103-S106 VanDerWaalsContact O-CB 3.28Å; V103-S106 WeakPolarHBondContact O-CB 3.42Å; V103-S106 PolarHBondContact O-N 3.03Å; V103-S106 PolarHBondContact O-OG 2.84Å; S106-K109 PolarHBondContact O-N 3.22Å; S106-A110 WeakPolarHBondContact O-CB 3.45Å; S106-A110 PolarHBondContact O-N 2.61Å
107G98.9Very high98.8Very high0 Ų023.6 Ų23.60%013%0.129CC..Hα-helixtrans-65-41178.700000113.2A105 V111 G365A105-G107 VanDerWaalsContact C-N 3.32Å; A105-G107 PolarHBondContact O-N 3.25Å; G107-V111 PolarHBondContact O-N 3.06Å; G107-G365 PolarHBondContact N-O 2.96Å
108L98.8Very high98.8Very high0 Ų022.4 Ų22.40%012%0.12CC..Hα-helixtrans-64.6-47.1173.2-78.1163.6000110.4A105 A110 V111 M112 G368 L371 I372 A387 A389 S397 V399A105-L108 PolarHBondContact O-N 3.02Å; A105-L108 VanDerWaalsContact O-N 3.14Å; L108-A110 VanDerWaalsContact C-N 3.28Å; L108-A110 PolarHBondContact O-N 3.4Å; L108-V111 WeakPolarHBondContact O-CB 3.45Å; L108-V111 PolarHBondContact O-N 3.23Å; L108-M112 VanDerWaalsContact O-CG 3.28Å; L108-M112 WeakPolarHBondContact O-CG 3.31Å; L108-M112 PolarHBondContact O-N 2.84Å; L108-G368 WeakPolarHBondContact CD2-O 3.49Å; L108-G368 WeakPolarHBondContact CG-O 3.2Å; L108-L371 HydrophobicContact CD1-CD1 4.43Å; L108-I372 HydrophobicContact CD2-CD1 3.55Å; L108-I372 HydrophobicContact CD2-CG1 3.75Å; L108-A387 HydrophobicContact CD2-CB 4.15Å; L108-A389 HydrophobicContact CD1-CB 3.7Å; L108-S397 WeakPolarHBondContact CD1-O 3.12Å; L108-V399 HydrophobicContact CD2-CB 4.03Å; L108-V399 HydrophobicContact CD2-CG2 3.66Å
109K98.9Very high98.7Very high38 Ų3820.4 Ų20.417%0.16511%0.109CC..Hα-helixtrans-62.2-36.7-177.9-171.758.7174.7177.90112.3I100 K102 A105 S106 M112 L113 D294I100-K109 HydrophobicContact CG2-CB 4.24Å; I100-K109 HydrophobicContact CG2-CG 4.04Å; K102-K109 HydrophobicContact CB-CB 4.18Å; K102-K109 HydrophobicContact CB-CG 4.36Å; K102-K109 HydrophobicContact CD-CB 4Å; K102-K109 HydrophobicContact CD-CD 4.07Å; K102-K109 HydrophobicContact CD-CG 3.88Å; A105-K109 WeakPolarHBondContact O-CB 3.41Å; A105-K109 PolarHBondContact O-N 3.1Å; S106-K109 PolarHBondContact O-N 3.22Å; K109-M112 HydrophobicContact CD-CE 4.4Å; K109-M112 HydrophobicContact CD-SD 4.19Å; K109-M112 PolarHBondContact O-N 3.39Å; K109-L113 HydrophobicContact CD-CG 4.36Å; K109-L113 HydrophobicContact CG-CD1 4.21Å; K109-L113 HydrophobicContact CG-CG 4.39Å; K109-L113 VanDerWaalsContact O-CG 3.3Å; K109-L113 WeakPolarHBondContact O-CG 3.42Å; K109-L113 PolarHBondContact O-N 3.45Å; K109-D294 IonicContact NZ-OD2 3.52Å; K109-D294 PolarHBondContact NZ-OD2 3.48Å
110A99Very high98.6Very high0 Ų023.8 Ų23.80%013%0.125CC..Hα-helixtrans-59.9-44.7173.400000111.9I100 S106 L108 A114 G129I100-A110 HydrophobicContact CG1-CB 4.29Å; S106-A110 WeakPolarHBondContact O-CB 3.45Å; S106-A110 PolarHBondContact O-N 2.61Å; L108-A110 VanDerWaalsContact C-N 3.28Å; L108-A110 PolarHBondContact O-N 3.4Å; A110-A114 WeakPolarHBondContact O-CB 3.23Å; A110-A114 PolarHBondContact O-N 3.39Å; A110-A114 VanDerWaalsContact O-N 3.07Å; A110-G129 VanDerWaalsContact CB-O 3.26Å; A110-G129 WeakPolarHBondContact CB-O 3.46Å
111V98.9Very high98.4Very high1 Ų125 Ų251%0.00613%0.132CC..Hα-helixtrans-62.1-46174.61740000110.9G107 L108 L113 A114 S115 A128 M270 L272 I372G107-V111 PolarHBondContact O-N 3.06Å; L108-V111 WeakPolarHBondContact O-CB 3.45Å; L108-V111 PolarHBondContact O-N 3.23Å; V111-L113 PolarHBondContact O-N 2.98Å; V111-A114 PolarHBondContact O-N 2.91Å; V111-S115 WeakPolarHBondContact O-CB 3.47Å; V111-S115 PolarHBondContact O-N 3.02Å; V111-S115 PolarHBondContact O-OG 2.91Å; V111-S115 VanDerWaalsContact O-OG 3.06Å; V111-A128 HydrophobicContact CB-CB 4.44Å; V111-A128 HydrophobicContact CG2-CB 3.96Å; V111-M270 HydrophobicContact CG2-SD 3.99Å; V111-L272 HydrophobicContact CG1-CD1 4.08Å; V111-I372 HydrophobicContact CB-CD1 4.02Å; V111-I372 HydrophobicContact CG1-CD1 3.88Å; V111-I372 HydrophobicContact CG2-CD1 3.98Å
112M98.9Very high98.3Very high2 Ų228.5 Ų28.51%0.0114%0.14CC..Hα-helixtrans-59.1-46.9179.2-63.2164.66600112.6L108 K109 A114 S115 Q116 F292 D294 V399L108-M112 VanDerWaalsContact O-CG 3.28Å; L108-M112 WeakPolarHBondContact O-CG 3.31Å; L108-M112 PolarHBondContact O-N 2.84Å; K109-M112 HydrophobicContact CD-CE 4.4Å; K109-M112 HydrophobicContact CD-SD 4.19Å; K109-M112 PolarHBondContact O-N 3.39Å; M112-A114 VanDerWaalsContact C-N 3.35Å; M112-S115 PolarHBondContact O-N 3.14Å; M112-Q116 WeakPolarHBondContact O-CG 3.45Å; M112-Q116 PolarHBondContact O-N 2.88Å; M112-F292 HydrophobicContact CB-CD2 3.95Å; M112-F292 HydrophobicContact CB-CE2 4.35Å; M112-F292 HydrophobicContact CB-CG 4.28Å; M112-F292 HydrophobicContact CE-CB 4.22Å; M112-F292 HydrophobicContact CE-CD2 3.92Å; M112-F292 HydrophobicContact CE-CG 4.48Å; M112-F292 HydrophobicContact CG-CB 3.82Å; M112-F292 HydrophobicContact CG-CD2 3.97Å; M112-F292 HydrophobicContact CG-CG 3.94Å; M112-F292 HydrophobicContact SD-CB 4.5Å; M112-D294 VanDerWaalsContact CE-OD2 3.28Å; M112-D294 WeakPolarHBondContact CE-OD2 3.25Å; M112-V399 HydrophobicContact CG-CG2 3.76Å; M112-V399 HydrophobicContact SD-CG2 4.28Å
113L98.9Very high98.2Very high46 Ų4630.2 Ų30.224%0.24115%0.145CC..Hα-helixtrans-64.9-39.1178.9-68.6173.3000111.6Y68 I100 K109 V111 Q116 S117Y68-L113 HydrophobicContact CD2-CB 3.73Å; Y68-L113 HydrophobicContact CE2-CB 3.81Å; I100-L113 HydrophobicContact CD1-CD1 3.66Å; I100-L113 HydrophobicContact CG1-CD1 4.14Å; I100-L113 HydrophobicContact CG2-CD1 4.28Å; K109-L113 HydrophobicContact CD-CG 4.36Å; K109-L113 HydrophobicContact CG-CD1 4.21Å; K109-L113 HydrophobicContact CG-CG 4.39Å; K109-L113 VanDerWaalsContact O-CG 3.3Å; K109-L113 WeakPolarHBondContact O-CG 3.42Å; K109-L113 PolarHBondContact O-N 3.45Å; V111-L113 PolarHBondContact O-N 2.98Å; L113-Q116 PolarHBondContact O-N 3.31Å; L113-S117 PolarHBondContact O-N 3.17Å; L113-S117 VanDerWaalsContact O-N 3.15Å
114A98.9Very high98.2Very high0 Ų030.8 Ų30.80%015%0.146CC..Hα-helixtrans-65.2-43.5174.400000111.4Y68 A110 V111 M112 Q116 S117 L118 M126 A128 L272Y68-A114 HydrophobicContact CD2-CB 4.1Å; A110-A114 WeakPolarHBondContact O-CB 3.23Å; A110-A114 PolarHBondContact O-N 3.39Å; A110-A114 VanDerWaalsContact O-N 3.07Å; V111-A114 PolarHBondContact O-N 2.91Å; M112-A114 VanDerWaalsContact C-N 3.35Å; A114-Q116 VanDerWaalsContact C-N 3.3Å; A114-Q116 PolarHBondContact O-N 2.96Å; A114-S117 PolarHBondContact O-N 3.28Å; A114-S117 VanDerWaalsContact O-N 3.17Å; A114-L118 WeakPolarHBondContact O-CB 3.42Å; A114-L118 VanDerWaalsContact O-CG 3.3Å; A114-L118 WeakPolarHBondContact O-CG 3.33Å; A114-L118 PolarHBondContact O-N 2.64Å; A114-M126 HydrophobicContact CB-CB 4.39Å; A114-M126 HydrophobicContact CB-CE 3.88Å; A114-M126 HydrophobicContact CB-SD 4.01Å; A114-A128 HydrophobicContact CB-CB 3.74Å; A114-L272 HydrophobicContact CB-CD1 3.79Å
115S98.8Very high98.2Very high0 Ų030.4 Ų30.40%014%0.143CC..Hα-helixtrans-58.8-39.4174.5-63.90000112.3V20 V111 M112 L118 A119V20-S115 WeakPolarHBondContact CG2-O 3.28Å; V111-S115 WeakPolarHBondContact O-CB 3.47Å; V111-S115 PolarHBondContact O-N 3.02Å; V111-S115 PolarHBondContact O-OG 2.91Å; V111-S115 VanDerWaalsContact O-OG 3.06Å; M112-S115 PolarHBondContact O-N 3.14Å; S115-L118 PolarHBondContact O-N 3.28Å; S115-A119 WeakPolarHBondContact O-CB 3.48Å; S115-A119 PolarHBondContact O-N 3.05Å
116Q98.5Very high98.2Very high80 Ų8030.4 Ų30.437%0.37414%0.143SC..Hα-helixtrans-61.8-47174.1-70.6169.7-13.900112M112 L113 A114 L118 A119 L120 F292M112-Q116 WeakPolarHBondContact O-CG 3.45Å; M112-Q116 PolarHBondContact O-N 2.88Å; L113-Q116 PolarHBondContact O-N 3.31Å; A114-Q116 VanDerWaalsContact C-N 3.3Å; A114-Q116 PolarHBondContact O-N 2.96Å; Q116-L118 VanDerWaalsContact C-N 3.35Å; Q116-L118 PolarHBondContact O-N 2.99Å; Q116-A119 PolarHBondContact O-N 2.9Å; Q116-L120 WeakPolarHBondContact O-CB 3.37Å; Q116-L120 VanDerWaalsContact O-CG 3.22Å; Q116-L120 WeakPolarHBondContact O-CG 3.42Å; Q116-L120 PolarHBondContact O-N 2.82Å; Q116-F292 HydrophobicContact CG-CE2 3.81Å; Q116-F292 HydrophobicContact CG-CZ 3.8Å
117S98.4Very high98.2Very high15 Ų1530.4 Ų30.411%0.10514%0.143CC..Hα-helixtrans-62.1-41.2179-174.20000112.6L113 A114 N121 Y122 R123L113-S117 PolarHBondContact O-N 3.17Å; L113-S117 VanDerWaalsContact O-N 3.15Å; A114-S117 PolarHBondContact O-N 3.28Å; A114-S117 VanDerWaalsContact O-N 3.17Å; S117-N121 PolarHBondContact O-N 3.07Å; S117-Y122 PolarHBondContact O-N 3.4Å; S117-R123 PolarHBondContact O-N 2.77Å; S117-R123 WeakPolarHBondContact OG-CG 3.46Å
118L98.2Very high98.2Very high0 Ų030.4 Ų30.40%014%0.143CC..Hα-helixtrans-67.2-45.8176-69.8169000112.2V20 A114 S115 Q116 L120 N121 R123 Q124 M126 L272 N274V20-L118 HydrophobicContact CG1-CB 4.38Å; V20-L118 HydrophobicContact CG1-CD1 3.77Å; V20-L118 HydrophobicContact CG2-CB 3.85Å; A114-L118 WeakPolarHBondContact O-CB 3.42Å; A114-L118 VanDerWaalsContact O-CG 3.3Å; A114-L118 WeakPolarHBondContact O-CG 3.33Å; A114-L118 PolarHBondContact O-N 2.64Å; S115-L118 PolarHBondContact O-N 3.28Å; Q116-L118 VanDerWaalsContact C-N 3.35Å; Q116-L118 PolarHBondContact O-N 2.99Å; L118-L120 VanDerWaalsContact C-N 3.25Å; L118-L120 PolarHBondContact O-N 2.9Å; L118-N121 PolarHBondContact O-N 3.03Å; L118-N121 VanDerWaalsContact O-N 3.08Å; L118-R123 HydrophobicContact CD2-CB 4.19Å; L118-Q124 WeakPolarHBondContact CD2-O 3.43Å; L118-M126 HydrophobicContact CD1-CB 4.4Å; L118-M126 HydrophobicContact CD2-CB 4.49Å; L118-M126 HydrophobicContact CD2-CG 4.04Å; L118-M126 HydrophobicContact CD2-SD 4.33Å; L118-M126 HydrophobicContact CG-CG 4.22Å; L118-M126 HydrophobicContact CG-SD 3.99Å; L118-L272 HydrophobicContact CD1-CB 3.43Å; L118-L272 VanDerWaalsContact CD1-CB 3.43Å; L118-L272 HydrophobicContact CD1-CD1 4.47Å; L118-N274 HydrophobicContact CB-CB 4.33Å; L118-N274 PolarHBondContact O-ND2 3.46Å
119A97.6Very high98.2Very high19 Ų1930.4 Ų30.416%0.15714%0.143CC..Hα-helixtrans-63.2-33.1179.300000112.3Q18 V20 S115 Q116 N121Q18-A119 PolarHBondContact N-O 3.24Å; V20-A119 HydrophobicContact CG2-CB 4.08Å; S115-A119 WeakPolarHBondContact O-CB 3.48Å; S115-A119 PolarHBondContact O-N 3.05Å; Q116-A119 PolarHBondContact O-N 2.9Å; A119-N121 VanDerWaalsContact C-N 3.31Å
120L96.9Very high98.2Very high102 Ų10228.6 Ų28.653%0.53414%0.136SC..THydrogen-bonded Turntrans-86.14.5176.8-64.9172.4000113.6Q116 L118 Y122Q116-L120 WeakPolarHBondContact O-CB 3.37Å; Q116-L120 VanDerWaalsContact O-CG 3.22Å; Q116-L120 WeakPolarHBondContact O-CG 3.42Å; Q116-L120 PolarHBondContact O-N 2.82Å; L118-L120 VanDerWaalsContact C-N 3.25Å; L118-L120 PolarHBondContact O-N 2.9Å; L120-Y122 HydrophobicContact CB-CD2 3.57Å; L120-Y122 HydrophobicContact CB-CE2 3.75Å; L120-Y122 HydrophobicContact CD1-CD2 4.23Å; L120-Y122 HydrophobicContact CD1-CE2 3.95Å; L120-Y122 HydrophobicContact CG-CE2 4.46Å; L120-Y122 PolarHBondContact O-N 2.66Å; L120-Y122 VanDerWaalsContact O-N 3.16Å
121N95.2Very high98.2Very high48 Ų4828.6 Ų28.626%0.25714%0.136SC..THydrogen-bonded Turntrans60.415.1-178.6-82.4-51.4000115.7Q18 S117 L118 A119 R123 Q124 N274Q18-N121 WeakPolarHBondContact CG-ND2 3.22Å; S117-N121 PolarHBondContact O-N 3.07Å; L118-N121 PolarHBondContact O-N 3.03Å; L118-N121 VanDerWaalsContact O-N 3.08Å; A119-N121 VanDerWaalsContact C-N 3.31Å; N121-R123 PolarHBondContact O-N 3.18Å; N121-Q124 PolarHBondContact O-NE2 2.66Å; N121-Q124 VanDerWaalsContact O-NE2 3.16Å; N121-N274 PolarHBondContact OD1-ND2 3.46Å
122Y96.6Very high98.2Very high160 Ų16028.6 Ų28.663%0.62714%0.135SC*.SBendtrans-68.2-28172.2-72.3-63.6000111.9S117 L120S117-Y122 PolarHBondContact O-N 3.4Å; L120-Y122 HydrophobicContact CB-CD2 3.57Å; L120-Y122 HydrophobicContact CB-CE2 3.75Å; L120-Y122 HydrophobicContact CD1-CD2 4.23Å; L120-Y122 HydrophobicContact CD1-CE2 3.95Å; L120-Y122 HydrophobicContact CG-CE2 4.46Å; L120-Y122 PolarHBondContact O-N 2.66Å; L120-Y122 VanDerWaalsContact O-N 3.16Å
123R97.2Very high98.2Very high79 Ų7928.8 Ų28.830%0.29814%0.137SC..  trans-135.2164.5171.4-59.1-64.9178.9-107.7-2109.9E66 S117 L118 N121 M126 N274E66-R123 HydrophobicContact CB-CG 4.36Å; E66-R123 IonicContact OE2-CZ 3.95Å; E66-R123 VanDerWaalsContact OE2-CZ 3.25Å; E66-R123 IonicContact OE2-NE 2.91Å; E66-R123 PolarHBondContact OE2-NE 3.28Å; E66-R123 IonicContact OE2-NH2 3.25Å; E66-R123 PolarHBondContact OE2-NH2 2.83Å; S117-R123 PolarHBondContact O-N 2.77Å; S117-R123 WeakPolarHBondContact OG-CG 3.46Å; L118-R123 HydrophobicContact CD2-CB 4.19Å; N121-R123 PolarHBondContact O-N 3.18Å; R123-M126 HydrophobicContact CB-CG 3.71Å; R123-M126 HydrophobicContact CB-SD 3.76Å; R123-M126 HydrophobicContact CG-CG 4.06Å; R123-M126 HydrophobicContact CG-SD 3.87Å; R123-N274 PolarHBondContact O-ND2 3.29Å; R123-N274 VanDerWaalsContact O-ND2 3.15Å
124Q97.1Very high98.2Very high43 Ų4326.7 Ų26.720%0.20113%0.126CC..SBendtrans-119.5-34179-74.475.953.800112L118 N121 A273 N274 K276L118-Q124 WeakPolarHBondContact CD2-O 3.43Å; N121-Q124 PolarHBondContact O-NE2 2.66Å; N121-Q124 VanDerWaalsContact O-NE2 3.16Å; Q124-A273 WeakPolarHBondContact O-CA 3.35Å; Q124-N274 WeakPolarHBondContact CA-OD1 2.97Å; Q124-N274 PolarHBondContact O-N 2.91Å; Q124-N274 VanDerWaalsContact O-N 3.08Å; Q124-K276 HydrophobicContact CG-CB 4.07Å; Q124-K276 HydrophobicContact CG-CD 4.29Å; Q124-K276 HydrophobicContact CG-CG 4.36Å
125V98.2Very high98.2Very high6 Ų627.8 Ų27.84%0.03613%0.134CC..EExtended strand (participates in β ladder)trans-138.4126.4176.1-179.50000108.9M59 A63 V64 Q65 V271 L272 A273M59-V125 HydrophobicContact CE-CG2 4.37Å; M59-V125 HydrophobicContact SD-CG1 3.74Å; M59-V125 HydrophobicContact SD-CG2 4.01Å; A63-V125 WeakPolarHBondContact O-CB 3.17Å; V64-V125 HydrophobicContact CG2-CG1 4.47Å; Q65-V125 WeakPolarHBondContact CB-O 3.38Å; Q65-V125 PolarHBondContact N-O 2.94Å; V125-V271 HydrophobicContact CG1-CG1 4.04Å; V125-L272 WeakPolarHBondContact CA-O 3.44Å; V125-A273 HydrophobicContact CG2-CB 4.18Å
126M98.8Very high98.2Very high0 Ų030.5 Ų30.50%015%0.148CC..EExtended strand (participates in β ladder)trans-134.5158179.6-67.5-178.474.400110.5E66 Y68 A114 L118 R123 L272E66-M126 HydrophobicContact CB-CE 3.72Å; E66-M126 HydrophobicContact CB-CG 4.22Å; E66-M126 HydrophobicContact CG-CE 3.79Å; E66-M126 VanDerWaalsContact O-CA 3.32Å; E66-M126 WeakPolarHBondContact O-CA 3.44Å; Y68-M126 HydrophobicContact CD2-CE 3.92Å; Y68-M126 HydrophobicContact CE1-CE 4.29Å; Y68-M126 HydrophobicContact CE2-CE 3.64Å; Y68-M126 HydrophobicContact CG-CE 4.37Å; A114-M126 HydrophobicContact CB-CB 4.39Å; A114-M126 HydrophobicContact CB-CE 3.88Å; A114-M126 HydrophobicContact CB-SD 4.01Å; L118-M126 HydrophobicContact CD1-CB 4.4Å; L118-M126 HydrophobicContact CD2-CB 4.49Å; L118-M126 HydrophobicContact CD2-CG 4.04Å; L118-M126 HydrophobicContact CD2-SD 4.33Å; L118-M126 HydrophobicContact CG-CG 4.22Å; L118-M126 HydrophobicContact CG-SD 3.99Å; R123-M126 HydrophobicContact CB-CG 3.71Å; R123-M126 HydrophobicContact CB-SD 3.76Å; R123-M126 HydrophobicContact CG-CG 4.06Å; R123-M126 HydrophobicContact CG-SD 3.87Å; M126-L272 PolarHBondContact N-O 3.16Å; M126-L272 PolarHBondContact O-N 2.92Å
127V98.9Very high98.2Very high0 Ų027.7 Ų27.70%014%0.139CC..EExtended strand (participates in β ladder)trans-107133.5164.2172.50000109I50 V54 V64 E66 V67 Y68 A269 M270 V271I50-V127 HydrophobicContact CG1-CG1 3.97Å; I50-V127 HydrophobicContact CG2-CG1 4.25Å; V54-V127 HydrophobicContact CG2-CG2 3.98Å; V64-V127 HydrophobicContact CG1-CB 4.25Å; V64-V127 HydrophobicContact CG1-CG2 3.71Å; V64-V127 HydrophobicContact CG2-CG2 4Å; E66-V127 PolarHBondContact O-N 3.34Å; V67-V127 CarbonylContact C-O 3.44Å; V67-V127 VanDerWaalsContact CA-O 3.3Å; V67-V127 WeakPolarHBondContact CA-O 3.23Å; V67-V127 HydrophobicContact CG1-CB 4.37Å; V67-V127 HydrophobicContact CG1-CG1 4.37Å; V67-V127 HydrophobicContact CG2-CB 4.17Å; Y68-V127 PolarHBondContact N-O 3.33Å; V127-A269 HydrophobicContact CG1-CB 4.13Å; V127-M270 VanDerWaalsContact CA-O 3.31Å; V127-M270 WeakPolarHBondContact CA-O 3.28Å; V127-V271 HydrophobicContact CG2-CG2 4.13Å
128A99Very high98.2Very high0 Ų028.4 Ų28.40%014%0.143CC..EExtended strand (participates in β ladder)trans-134.3149.9174.200000111.3Y68 V111 A114 A269 M270 L272Y68-A128 CarbonylContact O-C 3.59Å; Y68-A128 VanDerWaalsContact O-CA 3.23Å; Y68-A128 WeakPolarHBondContact O-CA 3.32Å; V111-A128 HydrophobicContact CB-CB 4.44Å; V111-A128 HydrophobicContact CG2-CB 3.96Å; A114-A128 HydrophobicContact CB-CB 3.74Å; A128-A269 CarbonylContact O-C 3.56Å; A128-M270 PolarHBondContact N-O 2.92Å; A128-M270 PolarHBondContact O-N 3.16Å; A128-L272 HydrophobicContact CB-CD1 3.71Å
129G98.9Very high98.2Very high0 Ų035 Ų350%017%0.172CC..EExtended strand (participates in β ladder)trans171.2-146.1177.700000112.8Y68 G70 A110 C268Y68-G129 PolarHBondContact O-N 2.88Å; G70-G129 PolarHBondContact N-O 3.17Å; A110-G129 VanDerWaalsContact CB-O 3.26Å; A110-G129 WeakPolarHBondContact CB-O 3.46Å; G129-C268 CarbonylContact C-O 3.5Å; G129-C268 WeakPolarHBondContact CA-O 3.27Å
130G99Very high98.1Very high0 Ų036.3 Ų36.30%017%0.173CC..EExtended strand (participates in β ladder)trans-161.5157.6177.600000113.2G70 A267 C268 G365G70-G130 CarbonylContact O-C 3.53Å; G70-G130 WeakPolarHBondContact O-CA 3.41Å; G130-A267 CarbonylContact O-C 3.29Å; G130-A267 WeakPolarHBondContact O-CA 3.34Å; G130-C268 PolarHBondContact N-O 3.22Å; G130-C268 PolarHBondContact O-N 2.87Å; G130-C268 VanDerWaalsContact O-O 3.06Å; G130-G365 WeakPolarHBondContact CA-O 3.22Å
131M98.9Very high98Very high0 Ų036.5 Ų36.50%017%0.174CC..EExtended strand (participates in β ladder)trans-146.8144.2-177.661-169.1179.500109.8A42 M69 G70 H71 P81 A85 G266 A267A42-M131 HydrophobicContact CB-CB 4.47Å; A42-M131 HydrophobicContact CB-CG 4.28Å; M69-M131 HydrophobicContact CB-CE 4.11Å; M69-M131 HydrophobicContact CB-SD 4.43Å; M69-M131 HydrophobicContact CE-CB 4.07Å; M69-M131 HydrophobicContact CE-CG 4.21Å; M69-M131 HydrophobicContact CE-SD 4.17Å; G70-M131 PolarHBondContact O-N 3.03Å; H71-M131 HydrophobicContact CB-CE 4.24Å; H71-M131 HydrophobicContact CB-CG 4.2Å; H71-M131 PolarHBondContact ND1-O 3.37Å; P81-M131 HydrophobicContact CB-CE 3.74Å; A85-M131 HydrophobicContact CB-CE 4.31Å; A85-M131 HydrophobicContact CB-SD 3.87Å; M131-G266 WeakPolarHBondContact CA-O 3.3Å; M131-A267 HydrophobicContact CB-CB 3.75Å
132E98.9Very high97.9Very high0 Ų036.4 Ų36.40%018%0.18CC..EExtended strand (participates in β ladder)trans-150.8146175.8-157.459.9-95.300110.4H71 V72 L73 M134 G266 P363 I364 G365H71-E132 IonicContact CE1-OE1 3.83Å; H71-E132 PolarHBondContact CE1-OE1 2.86Å; H71-E132 IonicContact ND1-OE1 2.97Å; H71-E132 PolarHBondContact ND1-OE1 2.86Å; H71-E132 IonicContact ND1-OE2 3.3Å; H71-E132 PolarHBondContact ND1-OE2 2.92Å; V72-E132 WeakPolarHBondContact CB-OE2 3.4Å; V72-E132 PolarHBondContact N-OE2 2.86Å; L73-E132 PolarHBondContact N-OE1 2.82Å; E132-M134 HydrophobicContact CG-CG 3.89Å; E132-G266 PolarHBondContact N-O 3.38Å; E132-G266 PolarHBondContact O-N 3.34Å; E132-G266 VanDerWaalsContact O-O 3.13Å; E132-P363 HydrophobicContact CB-CB 3.78Å; E132-I364 HydrophobicContact CG-CG1 3.87Å; E132-G365 WeakPolarHBondContact OE2-CA 3.49Å; E132-G365 PolarHBondContact OE2-N 2.99Å; E132-G365 VanDerWaalsContact OE2-N 3.11Å
133S98.9Very high97.8Very high7 Ų740.9 Ų40.95%0.04920%0.196CC..EExtended strand (participates in β ladder)trans-136.789.6164.1-179.90000109.2L40 S135 N136 D265L40-S133 PolarHBondContact O-OG 2.97Å; S133-S135 PolarHBondContact O-N 3.42Å; S133-N136 PolarHBondContact O-N 3.48Å; S133-N136 VanDerWaalsContact O-N 3.14Å; S133-N136 PolarHBondContact OG-ND2 3.14Å; S133-D265 WeakPolarHBondContact CA-OD1 3.37Å; S133-D265 WeakPolarHBondContact CB-OD1 3.46Å; S133-D265 PolarHBondContact OG-OD1 3.23Å
134M98.8Very high97.5Very high2 Ų243 Ų431%0.0121%0.209CC..G310 helixtrans-63.3-30.9178.2-61.1-177.281.800110.9F33 L73 E132 N136 A137 L157 L263 N264 D265 I364F33-M134 HydrophobicContact CD2-CB 4.43Å; F33-M134 WeakPolarHBondContact CE2-O 3.44Å; L73-M134 HydrophobicContact CD1-CB 4.43Å; L73-M134 HydrophobicContact CD1-CG 4.03Å; E132-M134 HydrophobicContact CG-CG 3.89Å; M134-N136 PolarHBondContact O-N 3.26Å; M134-N136 VanDerWaalsContact O-N 3.16Å; M134-A137 WeakPolarHBondContact O-CB 3.4Å; M134-A137 PolarHBondContact O-N 3.26Å; M134-L157 HydrophobicContact CB-CD1 3.88Å; M134-L157 HydrophobicContact CE-CD1 4.13Å; M134-L157 HydrophobicContact CE-CD2 3.97Å; M134-L157 HydrophobicContact CE-CG 3.95Å; M134-L263 HydrophobicContact CB-CB 4.47Å; M134-L263 HydrophobicContact CE-CB 4.08Å; M134-L263 HydrophobicContact CE-CD2 3.54Å; M134-L263 HydrophobicContact CE-CG 4.35Å; M134-L263 HydrophobicContact SD-CB 4.05Å; M134-L263 HydrophobicContact SD-CD2 4.43Å; M134-N264 WeakPolarHBondContact CB-O 3.2Å; M134-N264 VanDerWaalsContact CG-O 3.25Å; M134-N264 WeakPolarHBondContact CG-O 3.2Å; M134-N264 PolarHBondContact SD-N 3.39Å; M134-N264 VanDerWaalsContact SD-N 3.44Å; M134-D265 PolarHBondContact N-OD1 2.97Å; M134-I364 HydrophobicContact CE-CG2 4.28Å; M134-I364 HydrophobicContact SD-CG2 4.31Å
135S98.7Very high97.1Very high23 Ų2349.3 Ų49.316%0.16124%0.239CC..G310 helixtrans-61.7-22175.7-610000114.4R34 S133 D265R34-S135 PolarHBondContact N-OG 3.03Å; S133-S135 PolarHBondContact O-N 3.42Å; S135-D265 WeakPolarHBondContact CB-OD1 3.44Å; S135-D265 VanDerWaalsContact CB-OD2 3.23Å; S135-D265 WeakPolarHBondContact CB-OD2 3.44Å; S135-D265 PolarHBondContact N-OD1 3.3Å; S135-D265 VanDerWaalsContact OG-CG 3.23Å; S135-D265 PolarHBondContact OG-OD1 2.89Å; S135-D265 PolarHBondContact OG-OD2 3.05Å
136N98.5Very high96.6Very high57 Ų5753.7 Ų53.731%0.30527%0.267SS..G310 helixtrans-104.95.5-178.5-77-81.7000113.3A38 L40 S133 M134A38-N136 PolarHBondContact O-ND2 3.39Å; L40-N136 PolarHBondContact O-ND2 2.86Å; S133-N136 PolarHBondContact O-N 3.48Å; S133-N136 VanDerWaalsContact O-N 3.14Å; S133-N136 PolarHBondContact OG-ND2 3.14Å; M134-N136 PolarHBondContact O-N 3.26Å; M134-N136 VanDerWaalsContact O-N 3.16Å
137A98.4Very high96Very high21 Ų2157.3 Ų57.317%0.17429%0.292CS..PPolyproline II helixtrans-62.9125.7173.600000109.8L73 M134 L157L73-A137 HydrophobicContact CD1-CB 3.98Å; M134-A137 WeakPolarHBondContact O-CB 3.4Å; M134-A137 PolarHBondContact O-N 3.26Å; A137-L157 HydrophobicContact CB-CB 3.79Å
138P98.4Very high95.7Very high30 Ų3069.1 Ų69.120%0.19534%0.339CS..PPolyproline II helixtrans-85.2167.8-177.138.5-40.5000111.5A75 F76 Y140 G156A75-P138 HydrophobicContact CB-CG 4.08Å; F76-P138 HydrophobicContact CB-CB 4.17Å; F76-P138 HydrophobicContact CB-CG 3.72Å; P138-Y140 HydrophobicContact CG-CD1 4.24Å; P138-Y140 HydrophobicContact CG-CE1 3.65Å; P138-G156 WeakPolarHBondContact O-CA 3.38Å; P138-G156 PolarHBondContact O-N 2.85Å
139F98.3Very high95.5Very high137 Ų13773 Ų7360%0.60138%0.379SS*.EExtended strand (participates in β ladder)trans-81.2147.3161.2-64.6-85.9000110.4H154 D155F139-H154 CarbonylContact C-O 3.6Å; F139-H154 WeakPolarHBondContact CA-O 3.44Å; F139-D155 HydrophobicContact CD1-CB 4.02Å; F139-D155 HydrophobicContact CE1-CB 3.78Å
140Y97.1Very high95.1Very high47 Ų4775.4 Ų75.418%0.18440%0.403CS..EExtended strand (participates in β ladder)trans-105.3145.2176.6-51.2-35.7000111.6A75 P138 L153 H154 G156 H159 D160A75-Y140 HydrophobicContact CB-CE1 3.39Å; A75-Y140 WeakPolarHBondContact CB-OH 3.39Å; P138-Y140 HydrophobicContact CG-CD1 4.24Å; P138-Y140 HydrophobicContact CG-CE1 3.65Å; Y140-L153 WeakPolarHBondContact O-CA 3.23Å; Y140-H154 PolarHBondContact N-O 2.97Å; Y140-H154 PolarHBondContact O-N 3.06Å; Y140-G156 WeakPolarHBondContact OH-CA 3.38Å; Y140-H159 HydrophobicContact CE2-CB 4.49Å; Y140-D160 PolarHBondContact OH-OD2 2.79Å
141L94.4Very high94.7Very high107 Ų10778.2 Ų78.256%0.5642%0.421SS*.  trans-121.5125.8164.2-176.368.2000106.8T151 L153L141-T151 HydrophobicContact CD1-CG2 3.33Å; L141-L153 HydrophobicContact CB-CD2 3.81Å; L141-L153 HydrophobicContact CD1-CD2 3.84Å; L141-L153 HydrophobicContact CG-CD2 4.36Å
142A92.6Very high94.4Very high46 Ų4685.4 Ų85.438%0.3845%0.452SS..  trans-60.3145.7177.200000110.5E144A142-E144 HydrophobicContact CB-CG 3.89Å; A142-E144 PolarHBondContact O-N 2.99Å
143R94.2Very high94.2Very high254 Ų25490.5 Ų90.596%0.95848%0.479SS*.SBendtrans-82.371.6176.2-172.5-177.2-65.1-79.2-3.7109.4
144E90.4Very high94Very high123 Ų12393.3 Ų93.358%0.57549%0.491SS*.SBendtrans-136.3163179.662-169.8-175.600110.6A142A142-E144 HydrophobicContact CB-CG 3.89Å; A142-E144 PolarHBondContact O-N 2.99Å
145E90.3Very high94Very high176 Ų17696 Ų9682%0.82251%0.505SS*.PPolyproline II helixtrans-64.8127.4173-173.5170.2-171.900108.9S147E145-S147 PolarHBondContact O-N 2.78Å
146P87.8Confident94Very high97 Ų9794.9 Ų94.963%0.6350%0.497SS*.PPolyproline II helixtrans-55.7118.5178.1-26.134.9000110.8
147S86.4Confident93.9Very high77 Ų7792.4 Ų92.454%0.53848%0.484SS..PPolyproline II helixtrans-67.6144.9179.5-67.30000111.6E145 G149 G150E145-S147 PolarHBondContact O-N 2.78Å; S147-G149 PolarHBondContact O-N 2.6Å; S147-G150 PolarHBondContact O-N 2.78Å
148Y92.8Very high93.9Very high248 Ų24893.8 Ų93.897%0.97349%0.49SS*.THydrogen-bonded Turntrans-56.8127.3168.5177.5-94.7000109.6
149G93.7Very high93.9Very high81 Ų8196.8 Ų96.884%0.83550%0.501SS*.THydrogen-bonded Turntrans102.4-10.7-174.100000114.8S147S147-G149 PolarHBondContact O-N 2.6Å
150G90.6Very high93.9Very high50 Ų5093.7 Ų93.752%0.51549%0.491SS..  trans119.8176.4171.100000114S147S147-G150 PolarHBondContact O-N 2.78Å
151T91.4Very high93.9Very high60 Ų6091.7 Ų91.737%0.36849%0.485SS..  trans-128.7142.4179.5-45.20000110.5L141L141-T151 HydrophobicContact CD1-CG2 3.33Å
152K91.4Very high94.1Very high151 Ų15188.7 Ų88.766%0.65747%0.469SS*.PPolyproline II helixtrans-87.1127.3179-172.8177179.3-178.20110
153L94.9Very high94.4Very high107 Ų10789.2 Ų89.256%0.5647%0.465SS*.PPolyproline II helixtrans-85.6130.5164-67.5174.2000108.8Y140 L141Y140-L153 WeakPolarHBondContact O-CA 3.23Å; L141-L153 HydrophobicContact CB-CD2 3.81Å; L141-L153 HydrophobicContact CD1-CD2 3.84Å; L141-L153 HydrophobicContact CG-CD2 4.36Å
154H95.5Very high94.6Very high66 Ų6677.2 Ų77.231%0.30642%0.42SS..EExtended strand (participates in β ladder)trans-95.8133.8176.6-63.4-107.8000109F139 Y140 G156F139-H154 CarbonylContact C-O 3.6Å; F139-H154 WeakPolarHBondContact CA-O 3.44Å; Y140-H154 PolarHBondContact N-O 2.97Å; Y140-H154 PolarHBondContact O-N 3.06Å; H154-G156 PolarHBondContact O-N 3.35Å
155D98.2Very high94.9Very high58 Ų5875.5 Ų75.531%0.3143%0.427SS..EExtended strand (participates in β ladder)trans-73.4114.9168.9-171.9-32000108.4F139 L157 V158 H159F139-D155 HydrophobicContact CD1-CB 4.02Å; F139-D155 HydrophobicContact CE1-CB 3.78Å; D155-L157 PolarHBondContact O-N 3.01Å; D155-L157 WeakPolarHBondContact OD1-CB 3.34Å; D155-L157 PolarHBondContact OD1-N 3.29Å; D155-V158 HydrophobicContact CB-CB 4.22Å; D155-V158 HydrophobicContact CB-CG2 4.12Å; D155-V158 PolarHBondContact O-N 3.28Å; D155-H159 VanDerWaalsContact O-CB 3.32Å; D155-H159 WeakPolarHBondContact O-CB 3.43Å; D155-H159 PolarHBondContact O-N 2.94Å
156G98.2Very high95.1Very high0 Ų074.1 Ų74.10%042%0.422CS..Hα-helixtrans-65.8-27.8-176.900000113.9P138 Y140 H154 D160P138-G156 WeakPolarHBondContact O-CA 3.38Å; P138-G156 PolarHBondContact O-N 2.85Å; Y140-G156 WeakPolarHBondContact OH-CA 3.38Å; H154-G156 PolarHBondContact O-N 3.35Å; G156-D160 WeakPolarHBondContact O-CB 3.48Å; G156-D160 PolarHBondContact O-N 3.37Å
157L97.9Very high95.6Very high5 Ų572.7 Ų72.73%0.02641%0.409CS..Hα-helixtrans-63.1-47.5173.9-174.6161.7000110.3F33 L73 M134 A137 D155 G161 L162 L263F33-L157 HydrophobicContact CE2-CD1 3.66Å; F33-L157 HydrophobicContact CZ-CD1 4.07Å; L73-L157 HydrophobicContact CD1-CB 4.35Å; L73-L157 HydrophobicContact CD1-CG 4.09Å; M134-L157 HydrophobicContact CB-CD1 3.88Å; M134-L157 HydrophobicContact CE-CD1 4.13Å; M134-L157 HydrophobicContact CE-CD2 3.97Å; M134-L157 HydrophobicContact CE-CG 3.95Å; A137-L157 HydrophobicContact CB-CB 3.79Å; D155-L157 PolarHBondContact O-N 3.01Å; D155-L157 WeakPolarHBondContact OD1-CB 3.34Å; D155-L157 PolarHBondContact OD1-N 3.29Å; L157-G161 VanDerWaalsContact O-CA 3.31Å; L157-G161 WeakPolarHBondContact O-CA 3.19Å; L157-G161 PolarHBondContact O-N 2.86Å; L157-G161 VanDerWaalsContact O-N 3.12Å; L157-L162 HydrophobicContact CD2-CD1 3.31Å; L157-L162 HydrophobicContact CD2-CG 3.94Å; L157-L263 HydrophobicContact CD1-CD1 3.97Å; L157-L263 HydrophobicContact CD2-CD1 4.11Å; L157-L263 HydrophobicContact CD2-CD2 4.19Å
158V98.1Very high96Very high50 Ų5076.9 Ų76.930%0.30342%0.42SS..Iπ-helixtrans-68.7-50178.7177.20000110.2D155 L162 L163 L170D155-V158 HydrophobicContact CB-CB 4.22Å; D155-V158 HydrophobicContact CB-CG2 4.12Å; D155-V158 PolarHBondContact O-N 3.28Å; V158-L162 CarbonylContact O-C 3.57Å; V158-L162 PolarHBondContact O-N 2.76Å; V158-L163 HydrophobicContact CG1-CB 4.5Å; V158-L163 WeakPolarHBondContact O-CB 3.42Å; V158-L163 PolarHBondContact O-N 3.49Å; V158-L170 HydrophobicContact CG1-CD2 3.7Å
159H97.6Very high96.2Very high92 Ų9267.1 Ų67.143%0.42639%0.385SS..Iπ-helixtrans-62.8-48.8-172.5-171.860000113.1Y140 D155Y140-H159 HydrophobicContact CE2-CB 4.49Å; D155-H159 VanDerWaalsContact O-CB 3.32Å; D155-H159 WeakPolarHBondContact O-CB 3.43Å; D155-H159 PolarHBondContact O-N 2.94Å
160D98.1Very high96.4Very high72 Ų7265.8 Ų65.839%0.38536%0.358SS..Iπ-helixtrans-92.3-19.9-174.8-69.55.5000112.7L73 Y140 G156L73-D160 HydrophobicContact CD2-CB 3.83Å; Y140-D160 PolarHBondContact OH-OD2 2.79Å; G156-D160 WeakPolarHBondContact O-CB 3.48Å; G156-D160 PolarHBondContact O-N 3.37Å
161G98.2Very high96.8Very high5 Ų564.2 Ų64.25%0.05234%0.338CS..Iπ-helixtrans-110.2-37.4-170.400000115.6L157L157-G161 VanDerWaalsContact O-CA 3.31Å; L157-G161 WeakPolarHBondContact O-CA 3.19Å; L157-G161 PolarHBondContact O-N 2.86Å; L157-G161 VanDerWaalsContact O-N 3.12Å
162L98.4Very high97.1Very high44 Ų4461.4 Ų61.423%0.2332%0.321CS..Iπ-helixtrans-129.8-1.2-162.3-54.8-177.5000115.2L157 V158 L170 M171 L263L157-L162 HydrophobicContact CD2-CD1 3.31Å; L157-L162 HydrophobicContact CD2-CG 3.94Å; V158-L162 CarbonylContact O-C 3.57Å; V158-L162 PolarHBondContact O-N 2.76Å; L162-L170 WeakPolarHBondContact O-CA 3.38Å; L162-M171 WeakPolarHBondContact O-CG 3.46Å; L162-M171 PolarHBondContact O-N 2.9Å; L162-L263 HydrophobicContact CD1-CD2 3.83Å
163L98Very high97.3Very high57 Ų5757.3 Ų57.330%0.29830%0.304SS..BIsolated β-bridgetrans-102.5130.3177.2-17173.5000109.5V158 A165 L170V158-L163 HydrophobicContact CG1-CB 4.5Å; V158-L163 WeakPolarHBondContact O-CB 3.42Å; V158-L163 PolarHBondContact O-N 3.49Å; L163-A165 PolarHBondContact O-N 2.93Å; L163-L170 HydrophobicContact CD1-CD2 4.18Å
164D98.2Very high97.5Very high3 Ų352.2 Ų52.22%0.01628%0.277CS..  trans-71.4121.6171.1-172.6-105.3000109.3M166 N167 E168 I169 M171 P299D164-M166 VanDerWaalsContact C-N 3.26Å; D164-M166 PolarHBondContact O-N 2.58Å; D164-M166 PolarHBondContact OD1-N 3.31Å; D164-M166 VanDerWaalsContact OD1-N 3.11Å; D164-N167 HydrophobicContact CB-CB 4.45Å; D164-N167 WeakPolarHBondContact OD1-CB 3.45Å; D164-N167 PolarHBondContact OD1-N 3.48Å; D164-N167 PolarHBondContact OD1-ND2 3.46Å; D164-E168 VanDerWaalsContact O-CA 3.31Å; D164-E168 WeakPolarHBondContact O-CA 3.36Å; D164-E168 PolarHBondContact O-N 3.21Å; D164-I169 PolarHBondContact N-O 2.92Å; D164-M171 VanDerWaalsContact CA-CE 3.41Å; D164-M171 HydrophobicContact CB-CE 3.45Å; D164-M171 VanDerWaalsContact CB-CE 3.45Å; D164-P299 WeakPolarHBondContact OD2-CB 3.41Å
165A96.8Very high97.6Very high87 Ų8749 Ų4972%0.71926%0.262SS*.THydrogen-bonded Turntrans-71.3-20.7-174.500000113.6L163L163-A165 PolarHBondContact O-N 2.93Å
166M96.1Very high97.6Very high147 Ų14746.6 Ų46.672%0.72425%0.249SC*.THydrogen-bonded Turntrans-94.3-35.8-176.1-62.2-55.5-58.100112.3D164 P299D164-M166 VanDerWaalsContact C-N 3.26Å; D164-M166 PolarHBondContact O-N 2.58Å; D164-M166 PolarHBondContact OD1-N 3.31Å; D164-M166 VanDerWaalsContact OD1-N 3.11Å; M166-P299 HydrophobicContact CB-CG 4.44Å; M166-P299 HydrophobicContact CG-CG 4.18Å
167N96.5Very high97.5Very high66 Ų6648.9 Ų48.935%0.35326%0.259SS..THydrogen-bonded Turntrans-104.7-9-175.8-62.4-80.7000113.2D164 I169 M300D164-N167 HydrophobicContact CB-CB 4.45Å; D164-N167 WeakPolarHBondContact OD1-CB 3.45Å; D164-N167 PolarHBondContact OD1-N 3.48Å; D164-N167 PolarHBondContact OD1-ND2 3.46Å; N167-I169 HydrophobicContact CB-CD1 4.19Å; N167-I169 HydrophobicContact CB-CG1 3.86Å; N167-I169 PolarHBondContact O-N 2.91Å; N167-M300 HydrophobicContact CB-CG 4.44Å; N167-M300 HydrophobicContact CB-SD 4.35Å; N167-M300 VanDerWaalsContact CG-SD 3.59Å; N167-M300 WeakPolarHBondContact ND2-CG 3.3Å; N167-M300 PolarHBondContact OD1-SD 3.44Å; N167-M300 VanDerWaalsContact OD1-SD 3.34Å
168E95.8Very high97.5Very high165 Ų16548.7 Ų48.777%0.77126%0.258SS*.  trans56.330.5179.2-56.1-170.611300114.2D164D164-E168 VanDerWaalsContact O-CA 3.31Å; D164-E168 WeakPolarHBondContact O-CA 3.36Å; D164-E168 PolarHBondContact O-N 3.21Å
169I96.8Very high97.6Very high44 Ų4446.4 Ų46.423%0.22625%0.245CC..SBendtrans-119.4159.3176.759.3174.3000111.1D164 N167 E173D164-I169 PolarHBondContact N-O 2.92Å; N167-I169 HydrophobicContact CB-CD1 4.19Å; N167-I169 HydrophobicContact CB-CG1 3.86Å; N167-I169 PolarHBondContact O-N 2.91Å; I169-E173 HydrophobicContact CB-CB 4.1Å; I169-E173 HydrophobicContact CD1-CB 4.01Å; I169-E173 HydrophobicContact CG1-CB 4.37Å
170L97.8Very high97.5Very high53 Ų5348.4 Ų48.428%0.27726%0.257SS..BIsolated β-bridgetrans-71.6153.3179.1-65.7173.8000111.7V158 L162 L163 G172 E173 C174 F248V158-L170 HydrophobicContact CG1-CD2 3.7Å; L162-L170 WeakPolarHBondContact O-CA 3.38Å; L163-L170 HydrophobicContact CD1-CD2 4.18Å; L170-G172 PolarHBondContact O-N 3.37Å; L170-G172 VanDerWaalsContact O-N 3.08Å; L170-E173 HydrophobicContact CB-CG 4.46Å; L170-E173 PolarHBondContact N-OE1 3.44Å; L170-E173 WeakPolarHBondContact O-CB 3.48Å; L170-E173 PolarHBondContact O-N 2.86Å; L170-C174 PolarHBondContact O-N 2.78Å; L170-F248 HydrophobicContact CB-CD1 4.02Å; L170-F248 HydrophobicContact CB-CE1 4.23Å; L170-F248 HydrophobicContact CD1-CD1 4.02Å; L170-F248 HydrophobicContact CD1-CE1 4.2Å
171M98.1Very high97.5Very high17 Ų1750.1 Ų50.18%0.08426%0.263CS..Hα-helixtrans-53.4-32.6175.8-69-61.297.200113.3L162 D164 C174 A175 F302 F333L162-M171 WeakPolarHBondContact O-CG 3.46Å; L162-M171 PolarHBondContact O-N 2.9Å; D164-M171 VanDerWaalsContact CA-CE 3.41Å; D164-M171 HydrophobicContact CB-CE 3.45Å; D164-M171 VanDerWaalsContact CB-CE 3.45Å; M171-C174 WeakPolarHBondContact O-CB 3.48Å; M171-C174 PolarHBondContact O-N 3.26Å; M171-A175 PolarHBondContact O-N 3.27Å; M171-F302 HydrophobicContact CB-CZ 4.48Å; M171-F333 HydrophobicContact CB-CE2 4.17Å; M171-F333 HydrophobicContact CB-CZ 4.2Å
172G97.7Very high97.5Very high1 Ų151.6 Ų51.61%0.0127%0.268CS..Hα-helixtrans-67-34.2175.700000113.1L170 C174 A175 E176 I255 F333L170-G172 PolarHBondContact O-N 3.37Å; L170-G172 VanDerWaalsContact O-N 3.08Å; G172-C174 VanDerWaalsContact C-N 3.34Å; G172-A175 PolarHBondContact O-N 3.06Å; G172-E176 WeakPolarHBondContact O-CG 3.5Å; G172-E176 PolarHBondContact O-N 2.86Å; G172-I255 WeakPolarHBondContact O-CD1 3.34Å; G172-F333 VanDerWaalsContact CA-CZ 3.5Å
173E97.4Very high97.5Very high64 Ų6452.4 Ų52.430%0.29929%0.287SS..Hα-helixtrans-67.9-37.1174.7-61.6175.9-101.700111.1I169 L170 A175 E176 K177 F248 V249I169-E173 HydrophobicContact CB-CB 4.1Å; I169-E173 HydrophobicContact CD1-CB 4.01Å; I169-E173 HydrophobicContact CG1-CB 4.37Å; L170-E173 HydrophobicContact CB-CG 4.46Å; L170-E173 PolarHBondContact N-OE1 3.44Å; L170-E173 WeakPolarHBondContact O-CB 3.48Å; L170-E173 PolarHBondContact O-N 2.86Å; E173-A175 VanDerWaalsContact C-N 3.35Å; E173-E176 PolarHBondContact O-N 3.47Å; E173-K177 PolarHBondContact O-N 3.4Å; E173-F248 HydrophobicContact CG-CB 3.88Å; E173-V249 HydrophobicContact CG-CG2 4.24Å
174C97.7Very high97.5Very high0 Ų050.4 Ų50.40%028%0.277CS..Hα-helixtrans-62.3-42171.3-61.60000111.5L170 M171 G172 E176 K177 F302L170-C174 PolarHBondContact O-N 2.78Å; M171-C174 WeakPolarHBondContact O-CB 3.48Å; M171-C174 PolarHBondContact O-N 3.26Å; G172-C174 VanDerWaalsContact C-N 3.34Å; C174-E176 VanDerWaalsContact C-N 3.33Å; C174-E176 PolarHBondContact O-N 3.42Å; C174-K177 WeakPolarHBondContact O-CB 3.26Å; C174-K177 PolarHBondContact O-N 2.85Å; C174-F302 HydrophobicContact CB-CD1 3.84Å; C174-F302 HydrophobicContact CB-CE1 3.51Å
175A98.1Very high97.5Very high0 Ų052.5 Ų52.50%029%0.292CS..Hα-helixtrans-68.5-28.4178.700000113.3M171 G172 E173 K177 T178 A179 I255 F302 F333 V335M171-A175 PolarHBondContact O-N 3.27Å; G172-A175 PolarHBondContact O-N 3.06Å; E173-A175 VanDerWaalsContact C-N 3.35Å; A175-K177 VanDerWaalsContact C-N 3.31Å; A175-K177 PolarHBondContact O-N 3.44Å; A175-T178 WeakPolarHBondContact O-CB 3.23Å; A175-T178 PolarHBondContact O-N 3.33Å; A175-A179 PolarHBondContact O-N 3.44Å; A175-I255 HydrophobicContact CB-CD1 3.35Å; A175-F302 HydrophobicContact CB-CE1 4.36Å; A175-F302 HydrophobicContact CB-CZ 4.21Å; A175-F333 HydrophobicContact CB-CB 4.4Å; A175-F333 HydrophobicContact CB-CD2 3.56Å; A175-F333 HydrophobicContact CB-CE2 3.95Å; A175-F333 HydrophobicContact CB-CG 3.92Å; A175-V335 HydrophobicContact CB-CG1 3.87Å
176E98.1Very high97.5Very high7 Ų750.9 Ų50.93%0.03327%0.267CS..Hα-helixtrans-62.5-37.4171.8-68.4-78.4-166.400111.7G172 E173 C174 T178 A179 I180 V249 G253 T254 I255G172-E176 WeakPolarHBondContact O-CG 3.5Å; G172-E176 PolarHBondContact O-N 2.86Å; E173-E176 PolarHBondContact O-N 3.47Å; C174-E176 VanDerWaalsContact C-N 3.33Å; C174-E176 PolarHBondContact O-N 3.42Å; E176-T178 VanDerWaalsContact C-N 3.31Å; E176-T178 PolarHBondContact O-N 2.87Å; E176-A179 WeakPolarHBondContact O-CB 3.29Å; E176-A179 PolarHBondContact O-N 2.94Å; E176-A179 VanDerWaalsContact O-N 3.12Å; E176-I180 WeakPolarHBondContact O-CG1 3.3Å; E176-I180 PolarHBondContact O-N 3.2Å; E176-V249 HydrophobicContact CB-CG2 4.22Å; E176-V249 HydrophobicContact CG-CB 4.34Å; E176-V249 HydrophobicContact CG-CG2 3.87Å; E176-G253 VanDerWaalsContact OE1-CA 3.23Å; E176-G253 WeakPolarHBondContact OE1-CA 3.33Å; E176-T254 PolarHBondContact OE1-N 3.14Å; E176-T254 WeakPolarHBondContact OE2-CB 3.43Å; E176-T254 PolarHBondContact OE2-N 2.95Å; E176-T254 PolarHBondContact OE2-OG1 3.01Å; E176-I255 HydrophobicContact CG-CD1 4Å; E176-I255 HydrophobicContact CG-CG1 4.19Å; E176-I255 WeakPolarHBondContact OE1-CB 3.49Å; E176-I255 PolarHBondContact OE1-N 3.47Å
177K97.2Very high97.6Very high48 Ų4851.8 Ų51.821%0.20927%0.267CS..Hα-helixtrans-57.5-46.2172.9174.1176.4179.7-67.20111.2E173 C174 A175 A179 I180 E181 M300 D301E173-K177 PolarHBondContact O-N 3.4Å; C174-K177 WeakPolarHBondContact O-CB 3.26Å; C174-K177 PolarHBondContact O-N 2.85Å; A175-K177 VanDerWaalsContact C-N 3.31Å; A175-K177 PolarHBondContact O-N 3.44Å; K177-A179 VanDerWaalsContact C-N 3.28Å; K177-A179 PolarHBondContact O-N 3.26Å; K177-I180 PolarHBondContact O-N 3.42Å; K177-E181 WeakPolarHBondContact CE-OE1 3.41Å; K177-E181 HydrophobicContact CG-CG 4.23Å; K177-E181 IonicContact NZ-OE1 2.81Å; K177-E181 PolarHBondContact NZ-OE1 3.35Å; K177-E181 IonicContact NZ-OE2 3.24Å; K177-E181 PolarHBondContact NZ-OE2 2.85Å; K177-E181 WeakPolarHBondContact O-CG 3.1Å; K177-E181 PolarHBondContact O-N 3.38Å; K177-M300 HydrophobicContact CD-CB 4.24Å; K177-M300 HydrophobicContact CD-CE 3.27Å; K177-D301 IonicContact NZ-OD1 3.65Å; K177-D301 PolarHBondContact NZ-OD1 2.79Å; K177-D301 IonicContact NZ-OD2 3.62Å
178T98Very high97.7Very high0 Ų052.2 Ų52.20%027%0.269CS..Hα-helixtrans-60.2-39.7176.6-61.90000111.3A175 E176 I180 H182 S303 I304 V335 A339A175-T178 WeakPolarHBondContact O-CB 3.23Å; A175-T178 PolarHBondContact O-N 3.33Å; E176-T178 VanDerWaalsContact C-N 3.31Å; E176-T178 PolarHBondContact O-N 2.87Å; T178-I180 VanDerWaalsContact C-N 3.34Å; T178-I180 PolarHBondContact O-N 2.82Å; T178-H182 WeakPolarHBondContact O-CB 3.05Å; T178-H182 PolarHBondContact O-CD2 3.19Å; T178-H182 PolarHBondContact O-N 3.35Å; T178-H182 VanDerWaalsContact O-N 3.09Å; T178-S303 WeakPolarHBondContact OG1-CB 3.3Å; T178-I304 HydrophobicContact CG2-CG2 4.03Å; T178-V335 HydrophobicContact CG2-CG2 4.05Å; T178-A339 HydrophobicContact CG2-CB 3.75Å
179A98.3Very high97.8Very high3 Ų344.4 Ų44.43%0.02523%0.233CC..Hα-helixtrans-60.5-44.6177.200000111.6A175 E176 K177 G183 I184 T254 V335A175-A179 PolarHBondContact O-N 3.44Å; E176-A179 WeakPolarHBondContact O-CB 3.29Å; E176-A179 PolarHBondContact O-N 2.94Å; E176-A179 VanDerWaalsContact O-N 3.12Å; K177-A179 VanDerWaalsContact C-N 3.28Å; K177-A179 PolarHBondContact O-N 3.26Å; A179-G183 PolarHBondContact O-N 3.47Å; A179-G183 VanDerWaalsContact O-N 3.1Å; A179-I184 PolarHBondContact O-N 3.29Å; A179-T254 WeakPolarHBondContact CB-OG1 3.16Å; A179-V335 HydrophobicContact CB-CG2 3.78Å
180I97.3Very high97.9Very high133 Ų13343 Ų4368%0.68223%0.226SC*.Hα-helixtrans-66.2-54.3179.2-65.9165.8000110.7E176 K177 T178 H182 G183E176-I180 WeakPolarHBondContact O-CG1 3.3Å; E176-I180 PolarHBondContact O-N 3.2Å; K177-I180 PolarHBondContact O-N 3.42Å; T178-I180 VanDerWaalsContact C-N 3.34Å; T178-I180 PolarHBondContact O-N 2.82Å; I180-H182 VanDerWaalsContact C-N 3.29Å; I180-H182 PolarHBondContact O-N 2.99Å; I180-G183 PolarHBondContact O-N 2.86Å; I180-G183 VanDerWaalsContact O-N 3.15Å
181E97.6Very high97.9Very high108 Ų10843.1 Ų43.151%0.50524%0.235SC..Hα-helixtrans-65.1-31.9-173.1-72.3-179162.100113.2K177K177-E181 WeakPolarHBondContact CE-OE1 3.41Å; K177-E181 HydrophobicContact CG-CG 4.23Å; K177-E181 IonicContact NZ-OE1 2.81Å; K177-E181 PolarHBondContact NZ-OE1 3.35Å; K177-E181 IonicContact NZ-OE2 3.24Å; K177-E181 PolarHBondContact NZ-OE2 2.85Å; K177-E181 WeakPolarHBondContact O-CG 3.1Å; K177-E181 PolarHBondContact O-N 3.38Å
182H97.8Very high97.9Very high36 Ų3643.2 Ų43.217%0.16723%0.234CC..THydrogen-bonded Turntrans-99.24.6178.5-63.4-69.7000113.7T178 I180 I184 K342T178-H182 WeakPolarHBondContact O-CB 3.05Å; T178-H182 PolarHBondContact O-CD2 3.19Å; T178-H182 PolarHBondContact O-N 3.35Å; T178-H182 VanDerWaalsContact O-N 3.09Å; I180-H182 VanDerWaalsContact C-N 3.29Å; I180-H182 PolarHBondContact O-N 2.99Å; H182-I184 VanDerWaalsContact C-N 3.35Å; H182-I184 HydrophobicContact CB-CD1 3.96Å; H182-I184 HydrophobicContact CB-CG1 4.11Å; H182-I184 PolarHBondContact O-N 3.03Å; H182-K342 PolarHBondContact O-NZ 3.04Å
183G97.7Very high98Very high62 Ų6243.1 Ų43.164%0.63923%0.234SC*.THydrogen-bonded Turntrans59.441.8177.600000113.2A179 I180A179-G183 PolarHBondContact O-N 3.47Å; A179-G183 VanDerWaalsContact O-N 3.1Å; I180-G183 PolarHBondContact O-N 2.86Å; I180-G183 VanDerWaalsContact O-N 3.15Å
184I98.5Very high98Very high14 Ų1441.8 Ų41.87%0.07223%0.228CC..  trans-96.4107.9-179.6-60.6169.7000108.4A179 H182 D188 Q189 V335 L338 A339A179-I184 PolarHBondContact O-N 3.29Å; H182-I184 VanDerWaalsContact C-N 3.35Å; H182-I184 HydrophobicContact CB-CD1 3.96Å; H182-I184 HydrophobicContact CB-CG1 4.11Å; H182-I184 PolarHBondContact O-N 3.03Å; I184-D188 HydrophobicContact CG2-CB 4.37Å; I184-Q189 HydrophobicContact CG2-CG 3.84Å; I184-Q189 PolarHBondContact O-NE2 3.44Å; I184-V335 HydrophobicContact CB-CG2 4.21Å; I184-V335 HydrophobicContact CD1-CG2 3.79Å; I184-V335 HydrophobicContact CG2-CG2 4.21Å; I184-L338 HydrophobicContact CD1-CB 4.06Å; I184-L338 HydrophobicContact CG2-CB 4.12Å; I184-L338 HydrophobicContact CG2-CD1 3.66Å; I184-A339 HydrophobicContact CD1-CB 3.76Å
185S97.9Very high98Very high48 Ų4844.9 Ų44.934%0.33624%0.244SC..  trans-75.4160.2-172.377.10000112.8K187 D188 Q189S185-K187 PolarHBondContact O-N 3.28Å; S185-K187 PolarHBondContact OG-N 2.99Å; S185-D188 WeakPolarHBondContact CB-OD2 3.44Å; S185-D188 PolarHBondContact N-OD2 3.13Å; S185-D188 VanDerWaalsContact N-OD2 3.14Å; S185-D188 PolarHBondContact O-N 3.02Å; S185-D188 VanDerWaalsContact O-N 3.12Å; S185-D188 PolarHBondContact OG-N 2.86Å; S185-D188 PolarHBondContact OG-OD2 3.3Å; S185-Q189 WeakPolarHBondContact O-CG 3.42Å; S185-Q189 PolarHBondContact O-N 3.4Å; S185-Q189 VanDerWaalsContact O-N 3.09Å
186R97.8Very high98.1Very high52 Ų5245 Ų4520%0.19625%0.245CC..Hα-helixtrans-50.4-41.1168.1169.560.4-178.2-82.7-6.5112.3D188 Q189 D190 F241 L244 T254R186-D188 VanDerWaalsContact C-N 3.34Å; R186-D188 PolarHBondContact O-N 3.02Å; R186-Q189 PolarHBondContact O-N 3.47Å; R186-D190 IonicContact CZ-OD1 2.85Å; R186-D190 IonicContact CZ-OD2 3.5Å; R186-D190 IonicContact NE-OD1 2.67Å; R186-D190 PolarHBondContact NE-OD1 3.41Å; R186-D190 IonicContact NE-OD2 2.79Å; R186-D190 PolarHBondContact NE-OD2 3.03Å; R186-D190 IonicContact NH2-OD2 3.39Å; R186-D190 PolarHBondContact NH2-OD2 2.99Å; R186-D190 WeakPolarHBondContact O-CB 3.33Å; R186-D190 PolarHBondContact O-N 2.68Å; R186-F241 PolarHBondContact NH2-O 3.15Å; R186-L244 PolarHBondContact NH1-O 3.19Å; R186-L244 VanDerWaalsContact NH1-O 3.13Å; R186-L244 PolarHBondContact NH2-O 3.14Å; R186-T254 HydrophobicContact CB-CG2 4.25Å; R186-T254 WeakPolarHBondContact CD-O 3.2Å
187K97.6Very high98.1Very high166 Ų16645 Ų4572%0.72225%0.245SC*.Hα-helixtrans-64.2-40.5-179.2-176-176.7175.1-173.10111.4S185 A191S185-K187 PolarHBondContact O-N 3.28Å; S185-K187 PolarHBondContact OG-N 2.99Å; K187-A191 VanDerWaalsContact O-CB 3.29Å; K187-A191 WeakPolarHBondContact O-CB 3.19Å; K187-A191 PolarHBondContact O-N 3.13Å
188D98.2Very high98.1Very high76 Ų7649.6 Ų49.641%0.40626%0.261SS..Hα-helixtrans-67.6-41.9178.4-54.9-43.3000110.9I184 S185 R186 A191 Y192 L338I184-D188 HydrophobicContact CG2-CB 4.37Å; S185-D188 WeakPolarHBondContact CB-OD2 3.44Å; S185-D188 PolarHBondContact N-OD2 3.13Å; S185-D188 VanDerWaalsContact N-OD2 3.14Å; S185-D188 PolarHBondContact O-N 3.02Å; S185-D188 VanDerWaalsContact O-N 3.12Å; S185-D188 PolarHBondContact OG-N 2.86Å; S185-D188 PolarHBondContact OG-OD2 3.3Å; R186-D188 VanDerWaalsContact C-N 3.34Å; R186-D188 PolarHBondContact O-N 3.02Å; D188-A191 PolarHBondContact O-N 3.23Å; D188-Y192 WeakPolarHBondContact O-CB 3.48Å; D188-Y192 PolarHBondContact O-N 3.35Å; D188-L338 HydrophobicContact CB-CD1 4.16Å
189Q98.6Very high98.2Very high0 Ų051 Ų510%027%0.266CS..Hα-helixtrans-64.3-42.5177.2-66.6-177.753.400112.7I184 S185 R186 Y192 A193 T254 N259 S334 V335 L338I184-Q189 HydrophobicContact CG2-CG 3.84Å; I184-Q189 PolarHBondContact O-NE2 3.44Å; S185-Q189 WeakPolarHBondContact O-CG 3.42Å; S185-Q189 PolarHBondContact O-N 3.4Å; S185-Q189 VanDerWaalsContact O-N 3.09Å; R186-Q189 PolarHBondContact O-N 3.47Å; Q189-Y192 PolarHBondContact O-N 3.23Å; Q189-A193 WeakPolarHBondContact O-CB 3.35Å; Q189-A193 PolarHBondContact O-N 2.8Å; Q189-T254 VanDerWaalsContact NE2-CB 3.25Å; Q189-T254 PolarHBondContact NE2-OG1 3.04Å; Q189-N259 HydrophobicContact CB-CB 4.31Å; Q189-S334 WeakPolarHBondContact O-CB 3.41Å; Q189-S334 PolarHBondContact O-OG 3.36Å; Q189-S334 VanDerWaalsContact O-OG 3.13Å; Q189-V335 HydrophobicContact CG-CB 4.23Å; Q189-L338 HydrophobicContact CG-CD1 4.1Å
190D98.3Very high98.2Very high14 Ų1450.8 Ų50.88%0.07527%0.265CS..Hα-helixtrans-66.9-41.2175.9-74.70.9000111.3R186 A193 I194 F241 N259R186-D190 IonicContact CZ-OD1 2.85Å; R186-D190 IonicContact CZ-OD2 3.5Å; R186-D190 IonicContact NE-OD1 2.67Å; R186-D190 PolarHBondContact NE-OD1 3.41Å; R186-D190 IonicContact NE-OD2 2.79Å; R186-D190 PolarHBondContact NE-OD2 3.03Å; R186-D190 IonicContact NH2-OD2 3.39Å; R186-D190 PolarHBondContact NH2-OD2 2.99Å; R186-D190 WeakPolarHBondContact O-CB 3.33Å; R186-D190 PolarHBondContact O-N 2.68Å; D190-A193 PolarHBondContact O-N 3.11Å; D190-I194 VanDerWaalsContact O-CG1 3.28Å; D190-I194 WeakPolarHBondContact O-CG1 3.49Å; D190-I194 PolarHBondContact O-N 3.01Å; D190-F241 HydrophobicContact CB-CD1 4.44Å; D190-N259 PolarHBondContact OD1-ND2 3.36Å
191A98Very high98.2Very high57 Ų5745.9 Ų45.947%0.47124%0.242SC..Hα-helixtrans-62.3-43.5176.300000111.8K187 D188 I194 L195K187-A191 VanDerWaalsContact O-CB 3.29Å; K187-A191 WeakPolarHBondContact O-CB 3.19Å; K187-A191 PolarHBondContact O-N 3.13Å; D188-A191 PolarHBondContact O-N 3.23Å; A191-I194 PolarHBondContact O-N 3.45Å; A191-L195 WeakPolarHBondContact O-CB 3.38Å; A191-L195 PolarHBondContact O-N 2.93Å
192Y98.7Very high98.3Very high18 Ų1844.1 Ų44.17%0.07124%0.236CC..Hα-helixtrans-61.7-45.1174.3-175.7-83.9000111.6D188 Q189 I194 L195 S196 E331 A337 L338 I341 N352D188-Y192 WeakPolarHBondContact O-CB 3.48Å; D188-Y192 PolarHBondContact O-N 3.35Å; Q189-Y192 PolarHBondContact O-N 3.23Å; Y192-I194 PolarHBondContact O-N 3.34Å; Y192-L195 WeakPolarHBondContact O-CB 3.48Å; Y192-L195 PolarHBondContact O-N 2.78Å; Y192-L195 VanDerWaalsContact O-N 3.16Å; Y192-S196 PolarHBondContact O-N 2.83Å; Y192-E331 HydrophobicContact CE1-CG 4.21Å; Y192-E331 VanDerWaalsContact CE1-OE1 3.31Å; Y192-E331 WeakPolarHBondContact CE1-OE1 3.47Å; Y192-E331 PolarHBondContact OH-OE1 3.4Å; Y192-A337 HydrophobicContact CE1-CB 3.78Å; Y192-A337 HydrophobicContact CE2-CB 3.95Å; Y192-A337 VanDerWaalsContact CZ-CB 3.42Å; Y192-A337 WeakPolarHBondContact OH-CB 3.37Å; Y192-L338 HydrophobicContact CD2-CD2 3.7Å; Y192-L338 HydrophobicContact CD2-CG 3.98Å; Y192-L338 HydrophobicContact CG-CD1 4.44Å; Y192-L338 HydrophobicContact CG-CD2 4.18Å; Y192-L338 HydrophobicContact CG-CG 4.09Å; Y192-I341 HydrophobicContact CE2-CD1 4.01Å; Y192-N352 PolarHBondContact OH-ND2 3Å; Y192-N352 VanDerWaalsContact OH-ND2 3.11Å
193A98.6Very high98.3Very high0 Ų042.5 Ų42.50%023%0.229CC..Hα-helixtrans-61.2-46.6178.700000111.9Q189 D190 L195 S196 Y197 F241 A258 N259 V358Q189-A193 WeakPolarHBondContact O-CB 3.35Å; Q189-A193 PolarHBondContact O-N 2.8Å; D190-A193 PolarHBondContact O-N 3.11Å; A193-L195 VanDerWaalsContact C-N 3.27Å; A193-L195 PolarHBondContact O-N 3.33Å; A193-S196 WeakPolarHBondContact O-CB 3.47Å; A193-S196 PolarHBondContact O-N 2.95Å; A193-S196 VanDerWaalsContact O-N 3.11Å; A193-Y197 VanDerWaalsContact O-CD2 3.26Å; A193-Y197 WeakPolarHBondContact O-CD2 3.48Å; A193-Y197 PolarHBondContact O-N 2.93Å; A193-F241 HydrophobicContact CB-CD1 4.39Å; A193-F241 HydrophobicContact CB-CE1 3.73Å; A193-A258 WeakPolarHBondContact CB-O 3.25Å; A193-N259 HydrophobicContact CB-CB 3.83Å; A193-V358 HydrophobicContact CB-CG1 3.8Å
194I98.2Very high98.3Very high35 Ų3540.8 Ų40.818%0.17920%0.203CC..Hα-helixtrans-57.3-43.1174.6-69166.5000110.7D190 A191 Y192 Y197 R198 F238 F241D190-I194 VanDerWaalsContact O-CG1 3.28Å; D190-I194 WeakPolarHBondContact O-CG1 3.49Å; D190-I194 PolarHBondContact O-N 3.01Å; A191-I194 PolarHBondContact O-N 3.45Å; Y192-I194 PolarHBondContact O-N 3.34Å; I194-Y197 PolarHBondContact O-N 3.47Å; I194-R198 HydrophobicContact CG2-CG 4.48Å; I194-R198 VanDerWaalsContact O-CG 3.32Å; I194-R198 WeakPolarHBondContact O-CG 3.36Å; I194-R198 PolarHBondContact O-N 2.9Å; I194-F238 HydrophobicContact CB-CD1 4.46Å; I194-F238 HydrophobicContact CG1-CD1 3.95Å; I194-F238 HydrophobicContact CG1-CE1 4.49Å; I194-F238 HydrophobicContact CG2-CD1 4.21Å; I194-F238 HydrophobicContact CG2-CE1 4.3Å; I194-F241 HydrophobicContact CD1-CD1 4.18Å; I194-F241 HydrophobicContact CD1-CG 4.4Å; I194-F241 HydrophobicContact CG1-CD1 3.68Å; I194-F241 HydrophobicContact CG1-CE1 3.75Å; I194-F241 HydrophobicContact CG1-CG 4.19Å; I194-F241 HydrophobicContact CG1-CZ 4.34Å
195L98.3Very high98.3Very high65 Ų6547 Ų4734%0.3423%0.23SC..Hα-helixtrans-60.8-44.6175.9179.862.2000111.4A191 Y192 A193 R198 R199A191-L195 WeakPolarHBondContact O-CB 3.38Å; A191-L195 PolarHBondContact O-N 2.93Å; Y192-L195 WeakPolarHBondContact O-CB 3.48Å; Y192-L195 PolarHBondContact O-N 2.78Å; Y192-L195 VanDerWaalsContact O-N 3.16Å; A193-L195 VanDerWaalsContact C-N 3.27Å; A193-L195 PolarHBondContact O-N 3.33Å; L195-R198 PolarHBondContact O-N 2.84Å; L195-R199 HydrophobicContact CD1-CG 4.13Å; L195-R199 HydrophobicContact CG-CG 4.39Å; L195-R199 WeakPolarHBondContact O-CB 3.48Å; L195-R199 WeakPolarHBondContact O-CG 3.34Å; L195-R199 PolarHBondContact O-N 3.27Å
196S98.8Very high98.4Very high2 Ų251.9 Ų51.91%0.01425%0.245CC..Hα-helixtrans-59.5-48.5177-169.70000111.9Y192 A193 R198 R199 S200 E331 G356 S359Y192-S196 PolarHBondContact O-N 2.83Å; A193-S196 WeakPolarHBondContact O-CB 3.47Å; A193-S196 PolarHBondContact O-N 2.95Å; A193-S196 VanDerWaalsContact O-N 3.11Å; S196-R198 VanDerWaalsContact C-N 3.32Å; S196-R198 PolarHBondContact O-N 3.36Å; S196-R199 PolarHBondContact O-N 3.03Å; S196-S200 WeakPolarHBondContact O-CB 3.31Å; S196-S200 PolarHBondContact O-N 3.25Å; S196-S200 PolarHBondContact O-OG 3.19Å; S196-E331 PolarHBondContact OG-OE2 3.46Å; S196-G356 PolarHBondContact OG-N 3Å; S196-G356 VanDerWaalsContact OG-N 3.08Å; S196-S359 VanDerWaalsContact C-OG 3.29Å; S196-S359 PolarHBondContact O-OG 3.3Å; S196-S359 PolarHBondContact OG-OG 3.42Å
197Y98.6Very high98.4Very high8 Ų854.2 Ų54.23%0.03126%0.261CS..Hα-helixtrans-59.8-40.7176.6-83-79.2000112.7A193 I194 S201 C236 F238 F241 V358 S359A193-Y197 VanDerWaalsContact O-CD2 3.26Å; A193-Y197 WeakPolarHBondContact O-CD2 3.48Å; A193-Y197 PolarHBondContact O-N 2.93Å; I194-Y197 PolarHBondContact O-N 3.47Å; Y197-S201 WeakPolarHBondContact O-CB 3.4Å; Y197-S201 PolarHBondContact O-N 3.01Å; Y197-C236 HydrophobicContact CD1-CB 3.62Å; Y197-C236 HydrophobicContact CD2-CB 4.43Å; Y197-C236 HydrophobicContact CE1-CB 3.7Å; Y197-C236 HydrophobicContact CG-CB 4.02Å; Y197-F238 HydrophobicContact CG-CE1 4.25Å; Y197-F241 HydrophobicContact CD2-CE1 4.44Å; Y197-F241 AromaticContact CD2-CZ 3.9Å; Y197-F241 HydrophobicContact CD2-CZ 3.9Å; Y197-F241 HydrophobicContact CE2-CE1 4.5Å; Y197-F241 AromaticContact CE2-CZ 3.89Å; Y197-F241 HydrophobicContact CE2-CZ 3.89Å; Y197-V358 HydrophobicContact CE2-CG1 4.1Å; Y197-V358 PolarHBondContact OH-O 2.83Å; Y197-S359 VanDerWaalsContact CA-CB 3.47Å
198R98.1Very high98.4Very high144 Ų14449 Ų4954%0.54324%0.241SC..Hα-helixtrans-64.3-48.1175.6-73.4175.2-179.2178.11111.6I194 L195 S196 S200 S201 D202 F238I194-R198 HydrophobicContact CG2-CG 4.48Å; I194-R198 VanDerWaalsContact O-CG 3.32Å; I194-R198 WeakPolarHBondContact O-CG 3.36Å; I194-R198 PolarHBondContact O-N 2.9Å; L195-R198 PolarHBondContact O-N 2.84Å; S196-R198 VanDerWaalsContact C-N 3.32Å; S196-R198 PolarHBondContact O-N 3.36Å; R198-S200 PolarHBondContact O-N 2.6Å; R198-S201 PolarHBondContact O-N 2.79Å; R198-D202 WeakPolarHBondContact O-CB 3.47Å; R198-D202 PolarHBondContact O-N 3.05Å; R198-F238 HydrophobicContact CG-CE2 4.45Å; R198-F238 HydrophobicContact CG-CZ 4.22Å
199R98.7Very high98.4Very high29 Ų2945.4 Ų45.411%0.10922%0.222CC..Hα-helixtrans-60.3-44.4178.2-74.8178.8171.5176.8-1.8111.6L195 S196 D202 A203 P348 E349 V351 N352 I353L195-R199 HydrophobicContact CD1-CG 4.13Å; L195-R199 HydrophobicContact CG-CG 4.39Å; L195-R199 WeakPolarHBondContact O-CB 3.48Å; L195-R199 WeakPolarHBondContact O-CG 3.34Å; L195-R199 PolarHBondContact O-N 3.27Å; S196-R199 PolarHBondContact O-N 3.03Å; R199-D202 PolarHBondContact O-N 2.91Å; R199-A203 VanDerWaalsContact O-CB 3.28Å; R199-A203 WeakPolarHBondContact O-CB 3.37Å; R199-A203 PolarHBondContact O-N 2.93Å; R199-P348 PolarHBondContact NH2-O 2.92Å; R199-P348 VanDerWaalsContact NH2-O 3.13Å; R199-E349 IonicContact NH2-OE2 3.72Å; R199-E349 PolarHBondContact NH2-OE2 3.37Å; R199-V351 PolarHBondContact NH1-O 2.82Å; R199-N352 WeakPolarHBondContact CD-O 3.5Å; R199-N352 PolarHBondContact NH1-O 2.85Å; R199-I353 WeakPolarHBondContact CD-O 3.46Å
200S98.7Very high98.3Very high0 Ų051.5 Ų51.50%025%0.25CC..Hα-helixtrans-62.4-45.2174.6-63.90000112.8S196 R198 D202 A203 W204 H354 G355 S359 L360S196-S200 WeakPolarHBondContact O-CB 3.31Å; S196-S200 PolarHBondContact O-N 3.25Å; S196-S200 PolarHBondContact O-OG 3.19Å; R198-S200 PolarHBondContact O-N 2.6Å; S200-D202 VanDerWaalsContact C-N 3.3Å; S200-D202 PolarHBondContact O-N 3.29Å; S200-A203 PolarHBondContact O-N 3.11Å; S200-W204 PolarHBondContact O-N 3.27Å; S200-H354 WeakPolarHBondContact CA-O 3.32Å; S200-H354 PolarHBondContact N-O 3.16Å; S200-H354 PolarHBondContact OG-O 2.99Å; S200-G355 WeakPolarHBondContact OG-CA 3.32Å; S200-S359 PolarHBondContact OG-OG 2.95Å; S200-L360 WeakPolarHBondContact OG-CD2 3.47Å; S200-L360 WeakPolarHBondContact OG-CG 3.44Å
201S98.3Very high98.2Very high30 Ų3056.4 Ų56.421%0.2127%0.273CS..Hα-helixtrans-61.5-41.3177.6-179.70000111.7Y197 R198 K205Y197-S201 WeakPolarHBondContact O-CB 3.4Å; Y197-S201 PolarHBondContact O-N 3.01Å; R198-S201 PolarHBondContact O-N 2.79Å; S201-K205 VanDerWaalsContact O-CG 3.25Å; S201-K205 WeakPolarHBondContact O-CG 3.38Å; S201-K205 PolarHBondContact O-N 2.87Å; S201-K205 VanDerWaalsContact OG-CE 3.27Å; S201-K205 WeakPolarHBondContact OG-CE 3.27Å; S201-K205 PolarHBondContact OG-NZ 3.27Å
202D98.5Very high98.3Very high70 Ų7053.8 Ų53.837%0.37425%0.25SS..Hα-helixtrans-73.9-37.4-178.6-770.4000112R198 R199 S200 K205 K206R198-D202 WeakPolarHBondContact O-CB 3.47Å; R198-D202 PolarHBondContact O-N 3.05Å; R199-D202 PolarHBondContact O-N 2.91Å; S200-D202 VanDerWaalsContact C-N 3.3Å; S200-D202 PolarHBondContact O-N 3.29Å; D202-K205 PolarHBondContact O-N 3.3Å; D202-K205 IonicContact OD1-NZ 3.22Å; D202-K205 PolarHBondContact OD1-NZ 3.4Å; D202-K205 VanDerWaalsContact OD1-NZ 3.14Å; D202-K206 WeakPolarHBondContact O-CB 3.31Å; D202-K206 VanDerWaalsContact O-CG 3.32Å; D202-K206 WeakPolarHBondContact O-CG 3.22Å; D202-K206 PolarHBondContact O-N 3.37Å
203A98.7Very high98.3Very high2 Ų253.4 Ų53.42%0.01725%0.25CC..Hα-helixtrans-61.7-42.9173.600000111.9R199 S200 K206 N207 I208 F209 H354R199-A203 VanDerWaalsContact O-CB 3.28Å; R199-A203 WeakPolarHBondContact O-CB 3.37Å; R199-A203 PolarHBondContact O-N 2.93Å; S200-A203 PolarHBondContact O-N 3.11Å; A203-K206 CarbonylContact O-C 3.56Å; A203-K206 PolarHBondContact O-N 3.47Å; A203-N207 PolarHBondContact O-N 3.42Å; A203-I208 HydrophobicContact CB-CB 4.14Å; A203-I208 HydrophobicContact CB-CG1 4.15Å; A203-I208 PolarHBondContact O-N 3.17Å; A203-F209 HydrophobicContact CB-CD2 4.26Å; A203-F209 HydrophobicContact CB-CE1 4.48Å; A203-F209 HydrophobicContact CB-CE2 3.44Å; A203-F209 VanDerWaalsContact CB-CE2 3.44Å; A203-F209 HydrophobicContact CB-CZ 3.6Å; A203-H354 HydrophobicContact CB-CB 3.69Å
204W98.2Very high98.3Very high27 Ų2754.4 Ų54.410%0.10226%0.256CS..Hα-helixtrans-64.6-42173.5-89109.6000112.8S200 K206 N207 F209 V213 V229 D230 Y233S200-W204 PolarHBondContact O-N 3.27Å; W204-K206 VanDerWaalsContact C-N 3.29Å; W204-K206 PolarHBondContact O-N 3.06Å; W204-N207 PolarHBondContact O-N 3.21Å; W204-F209 AromaticContact CD1-CD2 3.62Å; W204-F209 AromaticContact CD1-CE2 3.44Å; W204-F209 VanDerWaalsContact CD1-CE2 3.44Å; W204-F209 AromaticContact CD2-CD2 3.55Å; W204-F209 HydrophobicContact CD2-CD2 3.55Å; W204-F209 HydrophobicContact CD2-CE2 4.19Å; W204-F209 AromaticContact CE2-CD2 3.39Å; W204-F209 AromaticContact CE2-CE2 3.97Å; W204-F209 HydrophobicContact CE3-CD2 4.2Å; W204-F209 AromaticContact CG-CD2 3.7Å; W204-F209 HydrophobicContact CG-CD2 3.7Å; W204-F209 AromaticContact CG-CE2 3.87Å; W204-F209 HydrophobicContact CG-CE2 3.87Å; W204-F209 HydrophobicContact CH2-CB 4.06Å; W204-F209 HydrophobicContact CZ2-CB 4.08Å; W204-F209 AromaticContact CZ2-CD2 3.93Å; W204-F209 HydrophobicContact CZ2-CD2 3.93Å; W204-F209 HydrophobicContact CZ2-CG 4.3Å; W204-F209 HydrophobicContact CZ3-CB 4.33Å; W204-F209 AromaticContact NE1-CD2 3.42Å; W204-F209 AromaticContact NE1-CE2 3.47Å; W204-V213 HydrophobicContact CH2-CB 4.25Å; W204-V213 HydrophobicContact CH2-CG1 4.28Å; W204-V213 HydrophobicContact CH2-CG2 3.82Å; W204-V213 HydrophobicContact CZ2-CG2 4.09Å; W204-V229 HydrophobicContact CD2-CG1 3.5Å; W204-V229 HydrophobicContact CE3-CB 4.32Å; W204-V229 HydrophobicContact CE3-CG1 3.49Å; W204-V229 VanDerWaalsContact CE3-CG1 3.49Å; W204-V229 HydrophobicContact CE3-CG2 4.23Å; W204-V229 HydrophobicContact CG-CG1 4.2Å; W204-V229 HydrophobicContact CH2-CB 4.13Å; W204-V229 HydrophobicContact CH2-CG1 3.87Å; W204-V229 HydrophobicContact CH2-CG2 4.37Å; W204-V229 HydrophobicContact CZ2-CB 4.49Å; W204-V229 HydrophobicContact CZ2-CG1 3.88Å; W204-V229 HydrophobicContact CZ3-CB 4.04Å; W204-V229 HydrophobicContact CZ3-CG1 3.67Å; W204-V229 HydrophobicContact CZ3-CG2 3.87Å; W204-D230 HydrophobicContact CZ2-CB 3.9Å; W204-D230 VanDerWaalsContact CZ2-CG 3.46Å; W204-D230 VanDerWaalsContact CZ2-N 3.25Å; W204-D230 WeakPolarHBondContact CZ2-OD2 3.44Å; W204-D230 PolarHBondContact NE1-OD2 3.15Å; W204-Y233 HydrophobicContact CB-CE1 4.25Å; W204-Y233 HydrophobicContact CB-CE2 4.26Å; W204-Y233 AromaticContact CD1-CD1 3.6Å; W204-Y233 AromaticContact CD1-CE1 3.32Å; W204-Y233 AromaticContact CD1-CZ 3.76Å; W204-Y233 HydrophobicContact CD2-CE1 4.34Å; W204-Y233 HydrophobicContact CG-CD1 4.4Å; W204-Y233 AromaticContact CG-CE1 3.71Å; W204-Y233 HydrophobicContact CG-CE1 3.71Å; W204-Y233 AromaticContact CG-CZ 3.78Å; W204-Y233 AromaticContact NE1-CD1 3.97Å; W204-Y233 AromaticContact NE1-CE1 3.79Å
205K98.2Very high98.3Very high145 Ų14556.3 Ų56.363%0.6327%0.271SS*.Hα-helixtrans-63-34.6175.3-73.2168-166.3156.10112.7S201 D202 N207S201-K205 VanDerWaalsContact O-CG 3.25Å; S201-K205 WeakPolarHBondContact O-CG 3.38Å; S201-K205 PolarHBondContact O-N 2.87Å; S201-K205 VanDerWaalsContact OG-CE 3.27Å; S201-K205 WeakPolarHBondContact OG-CE 3.27Å; S201-K205 PolarHBondContact OG-NZ 3.27Å; D202-K205 PolarHBondContact O-N 3.3Å; D202-K205 IonicContact OD1-NZ 3.22Å; D202-K205 PolarHBondContact OD1-NZ 3.4Å; D202-K205 VanDerWaalsContact OD1-NZ 3.14Å; K205-N207 VanDerWaalsContact C-N 3.28Å
206K98.4Very high98.3Very high149 Ų14953.3 Ų53.365%0.64826%0.255SS*.THydrogen-bonded Turntrans-85.24.2178.8-70.1173.7-178.1174.90113.4D202 A203 W204 I208D202-K206 WeakPolarHBondContact O-CB 3.31Å; D202-K206 VanDerWaalsContact O-CG 3.32Å; D202-K206 WeakPolarHBondContact O-CG 3.22Å; D202-K206 PolarHBondContact O-N 3.37Å; A203-K206 CarbonylContact O-C 3.56Å; A203-K206 PolarHBondContact O-N 3.47Å; W204-K206 VanDerWaalsContact C-N 3.29Å; W204-K206 PolarHBondContact O-N 3.06Å; K206-I208 HydrophobicContact CB-CD1 4.15Å; K206-I208 HydrophobicContact CB-CG1 3.94Å; K206-I208 PolarHBondContact O-N 2.94Å
207N98Very high98.3Very high101 Ų10157.3 Ų57.354%0.5427%0.273SS..THydrogen-bonded Turntrans56.927.8-177.5-58.4-47.3000114.5A203 W204 K205 F209 Q210A203-N207 PolarHBondContact O-N 3.42Å; W204-N207 PolarHBondContact O-N 3.21Å; K205-N207 VanDerWaalsContact C-N 3.28Å; N207-F209 PolarHBondContact O-N 2.94Å; N207-Q210 HydrophobicContact CB-CB 4.35Å; N207-Q210 VanDerWaalsContact O-CB 3.26Å; N207-Q210 WeakPolarHBondContact O-CB 3.41Å; N207-Q210 PolarHBondContact O-N 2.85Å; N207-Q210 VanDerWaalsContact O-N 3.14Å
208I98.6Very high98.2Very high57 Ų5757.2 Ų57.229%0.29227%0.274SS..THydrogen-bonded Turntrans-59-33.5-179.1-60.2-60.6000111.6A203 K206 Q210 V378A203-I208 HydrophobicContact CB-CB 4.14Å; A203-I208 HydrophobicContact CB-CG1 4.15Å; A203-I208 PolarHBondContact O-N 3.17Å; K206-I208 HydrophobicContact CB-CD1 4.15Å; K206-I208 HydrophobicContact CB-CG1 3.94Å; K206-I208 PolarHBondContact O-N 2.94Å; I208-Q210 VanDerWaalsContact C-N 3.33Å; I208-Q210 PolarHBondContact O-N 3.16Å; I208-V378 HydrophobicContact CG2-CG1 3.84Å
209F98.6Very high98Very high1 Ų157.8 Ų57.80%0.00428%0.28CS..THydrogen-bonded Turntrans-87.33.9-176.5-53-60.4000114.5A203 W204 N207 E211 E212 V213 H354 L360 H374A203-F209 HydrophobicContact CB-CD2 4.26Å; A203-F209 HydrophobicContact CB-CE1 4.48Å; A203-F209 HydrophobicContact CB-CE2 3.44Å; A203-F209 VanDerWaalsContact CB-CE2 3.44Å; A203-F209 HydrophobicContact CB-CZ 3.6Å; W204-F209 AromaticContact CD1-CD2 3.62Å; W204-F209 AromaticContact CD1-CE2 3.44Å; W204-F209 VanDerWaalsContact CD1-CE2 3.44Å; W204-F209 AromaticContact CD2-CD2 3.55Å; W204-F209 HydrophobicContact CD2-CD2 3.55Å; W204-F209 HydrophobicContact CD2-CE2 4.19Å; W204-F209 AromaticContact CE2-CD2 3.39Å; W204-F209 AromaticContact CE2-CE2 3.97Å; W204-F209 HydrophobicContact CE3-CD2 4.2Å; W204-F209 AromaticContact CG-CD2 3.7Å; W204-F209 HydrophobicContact CG-CD2 3.7Å; W204-F209 AromaticContact CG-CE2 3.87Å; W204-F209 HydrophobicContact CG-CE2 3.87Å; W204-F209 HydrophobicContact CH2-CB 4.06Å; W204-F209 HydrophobicContact CZ2-CB 4.08Å; W204-F209 AromaticContact CZ2-CD2 3.93Å; W204-F209 HydrophobicContact CZ2-CD2 3.93Å; W204-F209 HydrophobicContact CZ2-CG 4.3Å; W204-F209 HydrophobicContact CZ3-CB 4.33Å; W204-F209 AromaticContact NE1-CD2 3.42Å; W204-F209 AromaticContact NE1-CE2 3.47Å; N207-F209 PolarHBondContact O-N 2.94Å; F209-E211 VanDerWaalsContact C-N 3.31Å; F209-E211 PolarHBondContact O-N 2.79Å; F209-E212 HydrophobicContact CB-CG 3.96Å; F209-E212 HydrophobicContact CD1-CG 4.28Å; F209-E212 WeakPolarHBondContact CD1-OE1 3.42Å; F209-E212 WeakPolarHBondContact O-CG 3.41Å; F209-E212 PolarHBondContact O-N 3.48Å; F209-V213 HydrophobicContact CB-CG2 4.02Å; F209-V213 PolarHBondContact O-N 3.09Å; F209-H354 HydrophobicContact CE1-CB 4.15Å; F209-H354 HydrophobicContact CZ-CB 3.99Å; F209-L360 HydrophobicContact CZ-CD1 4.26Å; F209-H374 AromaticContact CD1-CE1 3.91Å; F209-H374 AromaticContact CD1-ND1 3.94Å; F209-H374 AromaticContact CE1-CE1 3.49Å; F209-H374 VanDerWaalsContact CE1-CE1 3.49Å; F209-H374 WeakPolarHBondContact CE1-CE1 3.49Å; F209-H374 AromaticContact CE1-ND1 3.73Å
210Q96.9Very high97.6Very high127 Ų12760.7 Ų60.759%0.59330%0.295SS*.THydrogen-bonded Turntrans-60.2-39.9-173-178.91726.500112.8N207 I208N207-Q210 HydrophobicContact CB-CB 4.35Å; N207-Q210 VanDerWaalsContact O-CB 3.26Å; N207-Q210 WeakPolarHBondContact O-CB 3.41Å; N207-Q210 PolarHBondContact O-N 2.85Å; N207-Q210 VanDerWaalsContact O-N 3.14Å; I208-Q210 VanDerWaalsContact C-N 3.33Å; I208-Q210 PolarHBondContact O-N 3.16Å
211E96.2Very high97.1Very high118 Ų11873 Ų7355%0.55134%0.341SS*.THydrogen-bonded Turntrans-80.1-20.3-179.7-65.2-55.9138.200112.9R56 F209R56-E211 VanDerWaalsContact CZ-O 3.25Å; R56-E211 PolarHBondContact NH1-O 2.92Å; F209-E211 VanDerWaalsContact C-N 3.31Å; F209-E211 PolarHBondContact O-N 2.79Å
212E98.2Very high96.6Very high1 Ų181.5 Ų81.51%0.00537%0.374CS..THydrogen-bonded Turntrans-92.5-33.6179.973.5177.1-150.400112.9C26 R27 F209 T373 H374 H377C26-E212 CarbonylContact C-O 3.53Å; C26-E212 WeakPolarHBondContact CA-O 3.36Å; R27-E212 HydrophobicContact CG-CG 4.36Å; R27-E212 IonicContact CZ-OE1 2.81Å; R27-E212 PolarHBondContact N-O 3.16Å; R27-E212 IonicContact NE-OE1 3.14Å; R27-E212 PolarHBondContact NE-OE1 3.49Å; R27-E212 IonicContact NH2-OE1 2.98Å; R27-E212 PolarHBondContact NH2-OE1 3.32Å; F209-E212 HydrophobicContact CB-CG 3.96Å; F209-E212 HydrophobicContact CD1-CG 4.28Å; F209-E212 WeakPolarHBondContact CD1-OE1 3.42Å; F209-E212 WeakPolarHBondContact O-CG 3.41Å; F209-E212 PolarHBondContact O-N 3.48Å; E212-T373 HydrophobicContact CB-CG2 3.92Å; E212-H374 IonicContact OE1-ND1 3.42Å; E212-H374 WeakPolarHBondContact OE2-CA 2.92Å; E212-H374 IonicContact OE2-CG 3.62Å; E212-H374 IonicContact OE2-ND1 3.47Å; E212-H374 PolarHBondContact OE2-ND1 2.86Å; E212-H377 VanDerWaalsContact CB-CD2 3.41Å; E212-H377 WeakPolarHBondContact CB-CD2 3.15Å
213V98.8Very high96.3Very high10 Ų1080 Ų806%0.06138%0.375CS..BIsolated β-bridgetrans-87.7138.1-173.9-179.40000112R27 P29 R56 W204 F209R27-V213 HydrophobicContact CG-CG2 4.21Å; R27-V213 CarbonylContact O-C 3.57Å; R27-V213 WeakPolarHBondContact O-CA 3.17Å; P29-V213 HydrophobicContact CB-CG1 4.42Å; P29-V213 HydrophobicContact CG-CG1 3.72Å; R56-V213 PolarHBondContact NH2-O 2.95Å; W204-V213 HydrophobicContact CH2-CB 4.25Å; W204-V213 HydrophobicContact CH2-CG1 4.28Å; W204-V213 HydrophobicContact CH2-CG2 3.82Å; W204-V213 HydrophobicContact CZ2-CG2 4.09Å; F209-V213 HydrophobicContact CB-CG2 4.02Å; F209-V213 PolarHBondContact O-N 3.09Å
214V98.6Very high96.1Very high21 Ų2185.1 Ų85.113%0.12740%0.399CS..  trans-117.2123.3176.5-176.70000108.7C26 R27 P29 I48 A52C26-V214 HydrophobicContact CB-CG2 3.88Å; R27-V214 PolarHBondContact O-N 2.92Å; P29-V214 VanDerWaalsContact CD-O 3.32Å; P29-V214 WeakPolarHBondContact CD-O 3.4Å; I48-V214 HydrophobicContact CG2-CG1 4.24Å; A52-V214 HydrophobicContact CB-CB 4.17Å; A52-V214 HydrophobicContact CB-CG1 3.78Å; A52-V214 HydrophobicContact CB-CG2 3.46Å; A52-V214 VanDerWaalsContact CB-CG2 3.46Å
215P98.4Very high96Very high76 Ų7687.4 Ų87.449%0.49442%0.416SS..  trans-57.6141.6178.7-24.533.8000113.1I226 V227 C228P215-I226 HydrophobicContact CB-CG2 3.73Å; P215-V227 CarbonylContact C-O 3.59Å; P215-V227 WeakPolarHBondContact CA-O 3.48Å; P215-C228 HydrophobicContact CB-CB 4.09Å; P215-C228 HydrophobicContact CG-CB 4.12Å
216V98.8Very high95.9Very high1 Ų185.3 Ų85.31%0.00641%0.411CS..EExtended strand (participates in β ladder)trans-113.9121.7179.21760000109.6T28 L37 L40 I48 V218 I226 V227T28-V216 HydrophobicContact CG2-CG2 3.7Å; L37-V216 HydrophobicContact CD2-CB 4.03Å; L37-V216 HydrophobicContact CD2-CG1 3.78Å; L37-V216 HydrophobicContact CD2-CG2 4.46Å; L40-V216 HydrophobicContact CD1-CG1 3.44Å; L40-V216 VanDerWaalsContact CD1-CG1 3.44Å; I48-V216 HydrophobicContact CD1-CB 4.49Å; I48-V216 HydrophobicContact CD1-CG1 3.82Å; I48-V216 HydrophobicContact CD1-CG2 4.19Å; I48-V216 HydrophobicContact CG2-CG2 4.27Å; V216-V218 HydrophobicContact CG1-CG2 4.06Å; V216-I226 WeakPolarHBondContact O-CA 3.43Å; V216-V227 PolarHBondContact N-O 2.81Å; V216-V227 PolarHBondContact O-N 3.17Å
217E97.9Very high95.9Very high86 Ų8679 Ų7940%0.40238%0.384SS..EExtended strand (participates in β ladder)trans-82.4122171.1-170.5-175.3115.300110.4K219 Q224E217-K219 WeakPolarHBondContact OE1-CE 3.16Å; E217-K219 IonicContact OE1-NZ 2.99Å; E217-Q224 HydrophobicContact CG-CB 4.08Å; E217-Q224 HydrophobicContact CG-CG 4.48Å; E217-Q224 PolarHBondContact OE1-OE1 3.13Å; E217-Q224 PolarHBondContact OE2-NE2 3.46Å; E217-Q224 VanDerWaalsContact OE2-NE2 3.12Å
218V97.5Very high95.9Very high7 Ų777.2 Ų77.24%0.04238%0.379CS..EExtended strand (participates in β ladder)trans-113109.3177.6-175.10000108.9L37 P39 L40 V216 H220 Q224 T225 V227L37-V218 HydrophobicContact CD2-CG2 4.09Å; P39-V218 HydrophobicContact CB-CG1 4.07Å; P39-V218 HydrophobicContact CG-CG1 3.87Å; L40-V218 HydrophobicContact CD1-CG2 4.13Å; V216-V218 HydrophobicContact CG1-CG2 4.06Å; V218-H220 PolarHBondContact O-ND1 3.07Å; V218-Q224 WeakPolarHBondContact O-CA 3.48Å; V218-T225 PolarHBondContact N-O 3.19Å; V218-T225 PolarHBondContact O-N 3.04Å; V218-V227 HydrophobicContact CG2-CG2 3.88Å
219K93.6Very high95.9Very high155 Ų15576.1 Ų76.167%0.67438%0.375SS*.EExtended strand (participates in β ladder)trans-81.2138.1177.8-64.1-175.4179.4-176.90111E217E217-K219 WeakPolarHBondContact OE1-CE 3.16Å; E217-K219 IonicContact OE1-NZ 2.99Å
220H90.3Very high95.9Very high91 Ų9176 Ų7642%0.42138%0.375SS..EExtended strand (participates in β ladder)trans-138.8168.3173.738.7-96.7000110.1V218 K222 G223 Q224 T225V218-H220 PolarHBondContact O-ND1 3.07Å; H220-K222 PolarHBondContact O-N 3.37Å; H220-G223 VanDerWaalsContact CD2-C 3.42Å; H220-G223 PolarHBondContact CD2-N 3.23Å; H220-G223 PolarHBondContact CD2-O 3.36Å; H220-G223 VanDerWaalsContact CD2-O 3.25Å; H220-G223 PolarHBondContact N-O 2.93Å; H220-G223 PolarHBondContact NE2-O 2.97Å; H220-G223 PolarHBondContact O-N 3.12Å; H220-G223 VanDerWaalsContact O-N 3.08Å; H220-Q224 PolarHBondContact NE2-N 2.97Å; H220-T225 PolarHBondContact CE1-N 3.09Å; H220-T225 VanDerWaalsContact CE1-N 3.28Å; H220-T225 PolarHBondContact CE1-OG1 3.42Å
221R88.8Confident95.9Very high258 Ų25871.7 Ų71.797%0.97435%0.354SS*.THydrogen-bonded Turntrans-55-28.3-172.4-169.8175.9178.5175.30.9114.4
222K87.4Confident96Very high208 Ų20867 Ų6790%0.90433%0.332SS*.THydrogen-bonded Turntrans-105.35.6-177.3-65.2-174178.6-178.40114.7H220H220-K222 PolarHBondContact O-N 3.37Å
223G92.4Very high96Very high38 Ų3868.1 Ų68.139%0.39234%0.337SS..EExtended strand (participates in β ladder)trans153.5-154-176.800000114.4H220H220-G223 VanDerWaalsContact CD2-C 3.42Å; H220-G223 PolarHBondContact CD2-N 3.23Å; H220-G223 PolarHBondContact CD2-O 3.36Å; H220-G223 VanDerWaalsContact CD2-O 3.25Å; H220-G223 PolarHBondContact N-O 2.93Å; H220-G223 PolarHBondContact NE2-O 2.97Å; H220-G223 PolarHBondContact O-N 3.12Å; H220-G223 VanDerWaalsContact O-N 3.08Å
224Q93.9Very high95.9Very high111 Ų11174.8 Ų74.852%0.51936%0.361SS..EExtended strand (participates in β ladder)trans-135.3145.9175.765.7-174.557.100110.7E217 V218 H220E217-Q224 HydrophobicContact CG-CB 4.08Å; E217-Q224 HydrophobicContact CG-CG 4.48Å; E217-Q224 PolarHBondContact OE1-OE1 3.13Å; E217-Q224 PolarHBondContact OE2-NE2 3.46Å; E217-Q224 VanDerWaalsContact OE2-NE2 3.12Å; V218-Q224 WeakPolarHBondContact O-CA 3.48Å; H220-Q224 PolarHBondContact NE2-N 2.97Å
225T96Very high95.7Very high74 Ų7478.7 Ų78.745%0.45438%0.376SS..EExtended strand (participates in β ladder)trans-118.3138.7171.2-65.80000107.8V218 H220V218-T225 PolarHBondContact N-O 3.19Å; V218-T225 PolarHBondContact O-N 3.04Å; H220-T225 PolarHBondContact CE1-N 3.09Å; H220-T225 VanDerWaalsContact CE1-N 3.28Å; H220-T225 PolarHBondContact CE1-OG1 3.42Å
226I97.8Very high95.3Very high102 Ų10277.1 Ų77.152%0.52337%0.367SS..EExtended strand (participates in β ladder)trans-97.6115.4172.1-59.9174.4000107.3P215 V216P215-I226 HydrophobicContact CB-CG2 3.73Å; V216-I226 WeakPolarHBondContact O-CA 3.43Å
227V98.2Very high95Very high15 Ų1580.8 Ų80.89%0.09139%0.386CS..EExtended strand (participates in β ladder)trans-92.7114.6172.7-171.30000107.1P29 L37 P215 V216 V218P29-V227 HydrophobicContact CB-CG1 4.11Å; P29-V227 HydrophobicContact CG-CG1 4.11Å; P29-V227 WeakPolarHBondContact CG-O 3.34Å; L37-V227 HydrophobicContact CD2-CB 4.05Å; L37-V227 HydrophobicContact CD2-CG1 4.17Å; L37-V227 HydrophobicContact CD2-CG2 4.06Å; P215-V227 CarbonylContact C-O 3.59Å; P215-V227 WeakPolarHBondContact CA-O 3.48Å; V216-V227 PolarHBondContact N-O 2.81Å; V216-V227 PolarHBondContact O-N 3.17Å; V218-V227 HydrophobicContact CG2-CG2 3.88Å
228C97.4Very high94.7Very high64 Ų6480.3 Ų80.343%0.43238%0.383SS..  trans-127.11.6-176.457.60000114P215P215-C228 HydrophobicContact CB-CB 4.09Å; P215-C228 HydrophobicContact CG-CB 4.12Å
229V97.9Very high94.5Very high34 Ų3484.3 Ų84.321%0.20641%0.411CS..SBendtrans-137.3143.9-178.2-1750000110.1W204 Y233 R234W204-V229 HydrophobicContact CD2-CG1 3.5Å; W204-V229 HydrophobicContact CE3-CB 4.32Å; W204-V229 HydrophobicContact CE3-CG1 3.49Å; W204-V229 VanDerWaalsContact CE3-CG1 3.49Å; W204-V229 HydrophobicContact CE3-CG2 4.23Å; W204-V229 HydrophobicContact CG-CG1 4.2Å; W204-V229 HydrophobicContact CH2-CB 4.13Å; W204-V229 HydrophobicContact CH2-CG1 3.87Å; W204-V229 HydrophobicContact CH2-CG2 4.37Å; W204-V229 HydrophobicContact CZ2-CB 4.49Å; W204-V229 HydrophobicContact CZ2-CG1 3.88Å; W204-V229 HydrophobicContact CZ3-CB 4.04Å; W204-V229 HydrophobicContact CZ3-CG1 3.67Å; W204-V229 HydrophobicContact CZ3-CG2 3.87Å; V229-Y233 HydrophobicContact CG1-CE1 3.87Å; V229-R234 VanDerWaalsContact CB-NH2 3.28Å
230D98.7Very high94.5Very high0 Ų083.7 Ų83.70%040%0.404CS..  trans-57.6139173.2-62.2-32.5000110.3R27 P29 M30 W204 Y233 L360R27-D230 IonicContact CZ-OD1 3.54Å; R27-D230 IonicContact CZ-OD2 3.9Å; R27-D230 IonicContact NH1-OD1 3.15Å; R27-D230 PolarHBondContact NH1-OD1 2.85Å; R27-D230 IonicContact NH1-OD2 3.98Å; R27-D230 PolarHBondContact NH1-OD2 3.39Å; R27-D230 IonicContact NH2-OD1 3.97Å; R27-D230 IonicContact NH2-OD2 2.68Å; R27-D230 PolarHBondContact NH2-OD2 3.14Å; P29-D230 VanDerWaalsContact CA-OD1 3.32Å; P29-D230 WeakPolarHBondContact CA-OD1 3.42Å; M30-D230 PolarHBondContact N-OD1 3.46Å; W204-D230 HydrophobicContact CZ2-CB 3.9Å; W204-D230 VanDerWaalsContact CZ2-CG 3.46Å; W204-D230 VanDerWaalsContact CZ2-N 3.25Å; W204-D230 WeakPolarHBondContact CZ2-OD2 3.44Å; W204-D230 PolarHBondContact NE1-OD2 3.15Å; D230-Y233 HydrophobicContact CB-CD1 4.27Å; D230-Y233 WeakPolarHBondContact O-CD1 3.29Å; D230-Y233 WeakPolarHBondContact O-CE1 3.43Å; D230-L360 HydrophobicContact CB-CD2 4.38Å
231E98.1Very high94.7Very high35 Ų3579.8 Ų79.816%0.16439%0.386CS..SBendtrans-88.6-38.3-170.8-166.5-178160.900112.4M30 S32 S35 S36 Y233 R234 K235M30-E231 PolarHBondContact O-N 3.02Å; S32-E231 PolarHBondContact N-OE2 3.04Å; S32-E231 VanDerWaalsContact N-OE2 3.08Å; S35-E231 WeakPolarHBondContact CB-OE1 3.4Å; S35-E231 WeakPolarHBondContact CB-OE2 3.29Å; S35-E231 VanDerWaalsContact OG-CD 3.25Å; S35-E231 PolarHBondContact OG-OE1 3.45Å; S35-E231 PolarHBondContact OG-OE2 3.1Å; S36-E231 VanDerWaalsContact CB-OE2 3.32Å; S36-E231 WeakPolarHBondContact CB-OE2 3.39Å; S36-E231 PolarHBondContact N-OE2 2.72Å; S36-E231 PolarHBondContact OG-OE2 3.39Å; E231-Y233 PolarHBondContact O-N 3.27Å; E231-R234 PolarHBondContact O-N 3.3Å; E231-K235 VanDerWaalsContact OE1-CE 3.28Å; E231-K235 WeakPolarHBondContact OE1-CE 3.35Å; E231-K235 IonicContact OE1-NZ 3.47Å; E231-K235 PolarHBondContact OE1-NZ 2.87Å
232E98.2Very high94.9Very high19 Ų1972.4 Ų72.49%0.08937%0.374CS..G310 helixtrans-69.7-36.6-160.5-159.367.2-134.800113.9S32 R234 K235 T262 N264 S359S32-E232 WeakPolarHBondContact CA-OE2 3.43Å; S32-E232 WeakPolarHBondContact CB-OE2 3.47Å; S32-E232 PolarHBondContact OG-OE2 3.49Å; E232-R234 PolarHBondContact O-N 3Å; E232-K235 WeakPolarHBondContact O-CB 3.46Å; E232-K235 PolarHBondContact O-N 3.43Å; E232-T262 HydrophobicContact CG-CG2 4.18Å; E232-T262 VanDerWaalsContact CG-OG1 3.28Å; E232-T262 WeakPolarHBondContact CG-OG1 3.26Å; E232-N264 PolarHBondContact OE2-ND2 3.22Å; E232-N264 VanDerWaalsContact OE2-ND2 3.16Å; E232-S359 CarbonylContact C-O 3.54Å; E232-S359 VanDerWaalsContact C-O 3.29Å; E232-S359 WeakPolarHBondContact CB-O 3.25Å
233Y97.9Very high95.2Very high26 Ų2666.3 Ų66.310%0.10236%0.358CS..G310 helixtrans-64.6-17.2-172.879.6-86.2000113.1W204 V229 D230 E231 C236 S359W204-Y233 HydrophobicContact CB-CE1 4.25Å; W204-Y233 HydrophobicContact CB-CE2 4.26Å; W204-Y233 AromaticContact CD1-CD1 3.6Å; W204-Y233 AromaticContact CD1-CE1 3.32Å; W204-Y233 AromaticContact CD1-CZ 3.76Å; W204-Y233 HydrophobicContact CD2-CE1 4.34Å; W204-Y233 HydrophobicContact CG-CD1 4.4Å; W204-Y233 AromaticContact CG-CE1 3.71Å; W204-Y233 HydrophobicContact CG-CE1 3.71Å; W204-Y233 AromaticContact CG-CZ 3.78Å; W204-Y233 AromaticContact NE1-CD1 3.97Å; W204-Y233 AromaticContact NE1-CE1 3.79Å; V229-Y233 HydrophobicContact CG1-CE1 3.87Å; D230-Y233 HydrophobicContact CB-CD1 4.27Å; D230-Y233 WeakPolarHBondContact O-CD1 3.29Å; D230-Y233 WeakPolarHBondContact O-CE1 3.43Å; E231-Y233 PolarHBondContact O-N 3.27Å; Y233-C236 PolarHBondContact O-SG 2.9Å; Y233-S359 WeakPolarHBondContact CA-O 3.49Å; Y233-S359 WeakPolarHBondContact CB-O 3.04Å; Y233-S359 PolarHBondContact N-O 2.9Å
234R96.7Very high95.4Very high149 Ų14966.6 Ų66.656%0.56235%0.35SS*.G310 helixtrans-85.8-13.7177.6-55.4177.6-170.3-176.5-1.1112.8V229 E231 E232 C236V229-R234 VanDerWaalsContact CB-NH2 3.28Å; E231-R234 PolarHBondContact O-N 3.3Å; E232-R234 PolarHBondContact O-N 3Å; R234-C236 VanDerWaalsContact C-N 3.29Å; R234-C236 PolarHBondContact O-N 3.24Å
235K93.7Very high95.5Very high104 Ų10469.9 Ų69.945%0.45236%0.363SS..SBendtrans-93.647.4-176.7-63.8-176.4176.5171.80111.8S32 E231 E232S32-K235 PolarHBondContact OG-NZ 3.47Å; E231-K235 VanDerWaalsContact OE1-CE 3.28Å; E231-K235 WeakPolarHBondContact OE1-CE 3.35Å; E231-K235 IonicContact OE1-NZ 3.47Å; E231-K235 PolarHBondContact OE1-NZ 2.87Å; E232-K235 WeakPolarHBondContact O-CB 3.46Å; E232-K235 PolarHBondContact O-N 3.43Å
236C90.1Very high95.6Very high43 Ų4368.3 Ų68.329%0.29135%0.354SS..  trans-122.1142.7178.760.90000112.3Y197 Y233 R234 F238Y197-C236 HydrophobicContact CD1-CB 3.62Å; Y197-C236 HydrophobicContact CD2-CB 4.43Å; Y197-C236 HydrophobicContact CE1-CB 3.7Å; Y197-C236 HydrophobicContact CG-CB 4.02Å; Y233-C236 PolarHBondContact O-SG 2.9Å; R234-C236 VanDerWaalsContact C-N 3.29Å; R234-C236 PolarHBondContact O-N 3.24Å; C236-F238 HydrophobicContact CB-CE1 4.11Å
237D92.7Very high95.6Very high77 Ų7766.2 Ų66.241%0.41235%0.352SS..  trans-129.797.7167.4177.2-1.7000108.2S239 R240 F241D237-S239 PolarHBondContact O-N 2.82Å; D237-S239 VanDerWaalsContact O-N 3.15Å; D237-S239 WeakPolarHBondContact OD1-CB 3.45Å; D237-S239 PolarHBondContact OD1-N 2.6Å; D237-S239 VanDerWaalsContact OD1-N 3.08Å; D237-S239 PolarHBondContact OD1-OG 3.42Å; D237-S239 PolarHBondContact OD2-OG 3.11Å; D237-R240 HydrophobicContact CB-CG 4.38Å; D237-R240 PolarHBondContact O-N 3.3Å; D237-R240 WeakPolarHBondContact OD2-CD 3.45Å; D237-R240 VanDerWaalsContact OD2-CG 3.29Å; D237-R240 WeakPolarHBondContact OD2-CG 3.28Å; D237-F241 WeakPolarHBondContact O-CD2 3.34Å
238F92.8Very high95.5Very high77 Ų7768.3 Ų68.334%0.33836%0.36SS..G310 helixtrans-59.6-26.8-175.6-58.5-43.1000113.3I194 Y197 R198 C236 R240 F241I194-F238 HydrophobicContact CB-CD1 4.46Å; I194-F238 HydrophobicContact CG1-CD1 3.95Å; I194-F238 HydrophobicContact CG1-CE1 4.49Å; I194-F238 HydrophobicContact CG2-CD1 4.21Å; I194-F238 HydrophobicContact CG2-CE1 4.3Å; Y197-F238 HydrophobicContact CG-CE1 4.25Å; R198-F238 HydrophobicContact CG-CE2 4.45Å; R198-F238 HydrophobicContact CG-CZ 4.22Å; C236-F238 HydrophobicContact CB-CE1 4.11Å; F238-R240 PolarHBondContact O-N 2.97Å; F238-F241 HydrophobicContact CD1-CD2 4.44Å; F238-F241 AromaticContact CD1-CE2 3.88Å; F238-F241 HydrophobicContact CD1-CE2 3.88Å; F238-F241 HydrophobicContact CD1-CZ 4.09Å; F238-F241 HydrophobicContact CE1-CZ 4.44Å; F238-F241 PolarHBondContact O-N 2.79Å
239S92.9Very high95.4Very high91 Ų9167.7 Ų67.764%0.63635%0.354SS*.G310 helixtrans-66.5-22.3179.474.20000112.6D237D237-S239 PolarHBondContact O-N 2.82Å; D237-S239 VanDerWaalsContact O-N 3.15Å; D237-S239 WeakPolarHBondContact OD1-CB 3.45Å; D237-S239 PolarHBondContact OD1-N 2.6Å; D237-S239 VanDerWaalsContact OD1-N 3.08Å; D237-S239 PolarHBondContact OD1-OG 3.42Å; D237-S239 PolarHBondContact OD2-OG 3.11Å
240R93.8Very high95.1Very high141 Ų14175.4 Ų75.453%0.53239%0.385SS..G310 helixtrans-92.9-14.7-176.3-67.8-179.965-165.2-2.4114.2D237 F238 S242 S243 L244D237-R240 HydrophobicContact CB-CG 4.38Å; D237-R240 PolarHBondContact O-N 3.3Å; D237-R240 WeakPolarHBondContact OD2-CD 3.45Å; D237-R240 VanDerWaalsContact OD2-CG 3.29Å; D237-R240 WeakPolarHBondContact OD2-CG 3.28Å; F238-R240 PolarHBondContact O-N 2.97Å; R240-S242 PolarHBondContact O-N 2.99Å; R240-S243 PolarHBondContact O-N 3.18Å; R240-S243 PolarHBondContact O-OG 2.65Å; R240-L244 PolarHBondContact O-N 3.23Å
241F94.2Very high94.6Very high10 Ų1082.8 Ų82.84%0.04442%0.419CS..G310 helixtrans-52.7-50.7-171.8-87.4-127.4000112R186 D190 A193 I194 Y197 D237 F238 S243 L244 A258R186-F241 PolarHBondContact NH2-O 3.15Å; D190-F241 HydrophobicContact CB-CD1 4.44Å; A193-F241 HydrophobicContact CB-CD1 4.39Å; A193-F241 HydrophobicContact CB-CE1 3.73Å; I194-F241 HydrophobicContact CD1-CD1 4.18Å; I194-F241 HydrophobicContact CD1-CG 4.4Å; I194-F241 HydrophobicContact CG1-CD1 3.68Å; I194-F241 HydrophobicContact CG1-CE1 3.75Å; I194-F241 HydrophobicContact CG1-CG 4.19Å; I194-F241 HydrophobicContact CG1-CZ 4.34Å; Y197-F241 HydrophobicContact CD2-CE1 4.44Å; Y197-F241 AromaticContact CD2-CZ 3.9Å; Y197-F241 HydrophobicContact CD2-CZ 3.9Å; Y197-F241 HydrophobicContact CE2-CE1 4.5Å; Y197-F241 AromaticContact CE2-CZ 3.89Å; Y197-F241 HydrophobicContact CE2-CZ 3.89Å; D237-F241 WeakPolarHBondContact O-CD2 3.34Å; F238-F241 HydrophobicContact CD1-CD2 4.44Å; F238-F241 AromaticContact CD1-CE2 3.88Å; F238-F241 HydrophobicContact CD1-CE2 3.88Å; F238-F241 HydrophobicContact CD1-CZ 4.09Å; F238-F241 HydrophobicContact CE1-CZ 4.44Å; F238-F241 PolarHBondContact O-N 2.79Å; F241-S243 PolarHBondContact O-N 2.67Å; F241-L244 PolarHBondContact O-N 2.97Å; F241-A258 HydrophobicContact CD1-CB 3.83Å; F241-A258 HydrophobicContact CD2-CB 4.07Å; F241-A258 HydrophobicContact CE1-CB 3.7Å; F241-A258 HydrophobicContact CE2-CB 3.94Å; F241-A258 HydrophobicContact CG-CB 4.03Å; F241-A258 HydrophobicContact CZ-CB 3.76Å
242S92.1Very high94.2Very high102 Ų10289.8 Ų89.871%0.71345%0.451SS*.G310 helixtrans-67.8-18.8-17957.30000114.3R240R240-S242 PolarHBondContact O-N 2.99Å
243S94.4Very high94.1Very high80 Ų8089.3 Ų89.356%0.55945%0.452SS*.G310 helixtrans-93.7-12-17972.20000114.1R240 F241 K245R240-S243 PolarHBondContact O-N 3.18Å; R240-S243 PolarHBondContact O-OG 2.65Å; F241-S243 PolarHBondContact O-N 2.67Å; S243-K245 PolarHBondContact O-N 2.88Å
244L96Very high94.2Very high44 Ų4489 Ų8923%0.2345%0.452CS..PPolyproline II helixtrans-67.2133.5-179.6-70.4173.5000110.5R186 R240 F241 T256 A258R186-L244 PolarHBondContact NH1-O 3.19Å; R186-L244 VanDerWaalsContact NH1-O 3.13Å; R186-L244 PolarHBondContact NH2-O 3.14Å; R240-L244 PolarHBondContact O-N 3.23Å; F241-L244 PolarHBondContact O-N 2.97Å; L244-T256 HydrophobicContact CB-CG2 4.08Å; L244-A258 HydrophobicContact CD1-CB 3.32Å
245K96.8Very high94.2Very high180 Ų18081.9 Ų81.978%0.78343%0.426SS*.PPolyproline II helixtrans-68.1147.5172.9-64.3-175.5-179.1-177.80109.8S243S243-K245 PolarHBondContact O-N 2.88Å
246P97.6Very high94.4Very high41 Ų4176.9 Ų76.927%0.26640%0.404SS..PPolyproline II helixtrans-54.1139.1169.6-25.836.7000111.5V249 G253 I255P246-V249 WeakPolarHBondContact CB-O 3.18Å; P246-G253 WeakPolarHBondContact CG-O 3.39Å; P246-I255 CarbonylContact C-O 3.47Å; P246-I255 VanDerWaalsContact CA-O 3.26Å; P246-I255 WeakPolarHBondContact CA-O 3.35Å
247A96.9Very high94.8Very high59 Ų5978.3 Ų78.349%0.48842%0.418SS..SBendtrans-89-25.9-173.800000113.4I255A247-I255 PolarHBondContact N-O 3.47Å
248F96.4Very high95Very high59 Ų5975 Ų7526%0.25940%0.402SS..SBendtrans-117-56.3-170-59.9-77.7000111.9L170 E173 I255 F333L170-F248 HydrophobicContact CB-CD1 4.02Å; L170-F248 HydrophobicContact CB-CE1 4.23Å; L170-F248 HydrophobicContact CD1-CD1 4.02Å; L170-F248 HydrophobicContact CD1-CE1 4.2Å; E173-F248 HydrophobicContact CG-CB 3.88Å; F248-I255 HydrophobicContact CD2-CB 3.95Å; F248-I255 HydrophobicContact CD2-CG2 3.58Å; F248-I255 HydrophobicContact CE2-CB 4.38Å; F248-I255 HydrophobicContact CE2-CG2 3.5Å; F248-I255 VanDerWaalsContact CE2-CG2 3.5Å; F248-F333 AromaticContact CE2-CE1 3.77Å; F248-F333 HydrophobicContact CE2-CE1 3.77Å; F248-F333 AromaticContact CZ-CE1 3.96Å; F248-F333 HydrophobicContact CZ-CE1 3.96Å; F248-F333 HydrophobicContact CZ-CZ 4.43Å
249V96.2Very high95.2Very high51 Ų5171.3 Ų71.331%0.30939%0.386SS..  trans-106.8115.4178.4-1780000109.7E173 E176 P246 E251 G253E173-V249 HydrophobicContact CG-CG2 4.24Å; E176-V249 HydrophobicContact CB-CG2 4.22Å; E176-V249 HydrophobicContact CG-CB 4.34Å; E176-V249 HydrophobicContact CG-CG2 3.87Å; P246-V249 WeakPolarHBondContact CB-O 3.18Å; V249-E251 WeakPolarHBondContact CG1-O 3.28Å; V249-E251 PolarHBondContact O-N 3.32Å; V249-G253 WeakPolarHBondContact O-CA 3.4Å; V249-G253 PolarHBondContact O-N 3.47Å
250K90.6Very high95.5Very high195 Ų19567.2 Ų67.285%0.84836%0.357SS*.THydrogen-bonded Turntrans-62.1-43.4-172.8-73.1-179.5-178.4171.80113.5
251E89.3Confident95.7Very high155 Ų15561.7 Ų61.772%0.72434%0.34SS*.THydrogen-bonded Turntrans-100.1127.2-177.7-64.7-172.9176.400109.4V249 G253V249-E251 WeakPolarHBondContact CG1-O 3.28Å; V249-E251 PolarHBondContact O-N 3.32Å; E251-G253 PolarHBondContact O-N 3.19Å
252H88.9Confident95.9Very high182 Ų18262.5 Ų62.584%0.84335%0.346SS*.THydrogen-bonded Turntrans59.56.3179.7-50.3-68000116.4
253G96.9Very high96.2Very high9 Ų960.2 Ų60.29%0.09333%0.326CS..  trans-60.3143.4173.300000112.2E176 P246 V249 E251E176-G253 VanDerWaalsContact OE1-CA 3.23Å; E176-G253 WeakPolarHBondContact OE1-CA 3.33Å; P246-G253 WeakPolarHBondContact CG-O 3.39Å; V249-G253 WeakPolarHBondContact O-CA 3.4Å; V249-G253 PolarHBondContact O-N 3.47Å; E251-G253 PolarHBondContact O-N 3.19Å
254T98.3Very high96.4Very high19 Ų1956.4 Ų56.412%0.11730%0.299CS..  trans-109.8-21-177.162.80000112.2E176 A179 R186 Q189 N259E176-T254 PolarHBondContact OE1-N 3.14Å; E176-T254 WeakPolarHBondContact OE2-CB 3.43Å; E176-T254 PolarHBondContact OE2-N 2.95Å; E176-T254 PolarHBondContact OE2-OG1 3.01Å; A179-T254 WeakPolarHBondContact CB-OG1 3.16Å; R186-T254 HydrophobicContact CB-CG2 4.25Å; R186-T254 WeakPolarHBondContact CD-O 3.2Å; Q189-T254 VanDerWaalsContact NE2-CB 3.25Å; Q189-T254 PolarHBondContact NE2-OG1 3.04Å; T254-N259 PolarHBondContact O-ND2 3.22Å
255I98.3Very high96.6Very high0 Ų054.3 Ų54.30%029%0.288CS..  trans-88.4131.3-176.6-58.8179.6000110.1G172 A175 E176 P246 A247 F248 N259 A260 F333 V335G172-I255 WeakPolarHBondContact O-CD1 3.34Å; A175-I255 HydrophobicContact CB-CD1 3.35Å; E176-I255 HydrophobicContact CG-CD1 4Å; E176-I255 HydrophobicContact CG-CG1 4.19Å; E176-I255 WeakPolarHBondContact OE1-CB 3.49Å; E176-I255 PolarHBondContact OE1-N 3.47Å; P246-I255 CarbonylContact C-O 3.47Å; P246-I255 VanDerWaalsContact CA-O 3.26Å; P246-I255 WeakPolarHBondContact CA-O 3.35Å; A247-I255 PolarHBondContact N-O 3.47Å; F248-I255 HydrophobicContact CD2-CB 3.95Å; F248-I255 HydrophobicContact CD2-CG2 3.58Å; F248-I255 HydrophobicContact CE2-CB 4.38Å; F248-I255 HydrophobicContact CE2-CG2 3.5Å; F248-I255 VanDerWaalsContact CE2-CG2 3.5Å; I255-N259 VanDerWaalsContact CA-OD1 3.32Å; I255-N259 WeakPolarHBondContact CA-OD1 3.22Å; I255-A260 HydrophobicContact CG2-CB 3.96Å; I255-F333 HydrophobicContact CD1-CD1 4.06Å; I255-F333 HydrophobicContact CD1-CG 4.27Å; I255-F333 HydrophobicContact CG2-CD1 3.66Å; I255-F333 HydrophobicContact CG2-CE1 4.04Å; I255-V335 HydrophobicContact CD1-CG1 4.07Å
256T98.2Very high96.7Very high0 Ų045.8 Ų45.80%025%0.251CS..  trans-129168.9178.369.20000111.1L244 A258 N259 A260L244-T256 HydrophobicContact CB-CG2 4.08Å; T256-A258 PolarHBondContact O-N 2.61Å; T256-A258 PolarHBondContact OG1-N 3.19Å; T256-N259 PolarHBondContact N-OD1 3.34Å; T256-N259 PolarHBondContact O-N 3.3Å; T256-N259 PolarHBondContact O-OD1 2.84Å; T256-N259 PolarHBondContact OG1-N 2.93Å; T256-N259 PolarHBondContact OG1-ND2 2.82Å; T256-A260 VanDerWaalsContact O-CB 3.31Å; T256-A260 WeakPolarHBondContact O-CB 3.36Å; T256-A260 PolarHBondContact O-N 2.89Å
257A96.8Very high96.7Very high72 Ų7243.8 Ų43.860%0.59524%0.238SC*.THydrogen-bonded Turntrans-58.6-17.9172.900000114.2
258A97.2Very high96.8Very high7 Ų741 Ų416%0.05822%0.215CC..THydrogen-bonded Turntrans-95-18.418000000114.3A193 F241 L244 T256A193-A258 WeakPolarHBondContact CB-O 3.25Å; F241-A258 HydrophobicContact CD1-CB 3.83Å; F241-A258 HydrophobicContact CD2-CB 4.07Å; F241-A258 HydrophobicContact CE1-CB 3.7Å; F241-A258 HydrophobicContact CE2-CB 3.94Å; F241-A258 HydrophobicContact CG-CB 4.03Å; F241-A258 HydrophobicContact CZ-CB 3.76Å; L244-A258 HydrophobicContact CD1-CB 3.32Å; T256-A258 PolarHBondContact O-N 2.61Å; T256-A258 PolarHBondContact OG1-N 3.19Å
259N98.2Very high96.9Very high0 Ų038.2 Ų38.20%020%0.203CC..THydrogen-bonded Turntrans-116.44.5179.370.326.3000113Q189 D190 A193 T254 I255 T256 S334Q189-N259 HydrophobicContact CB-CB 4.31Å; D190-N259 PolarHBondContact OD1-ND2 3.36Å; A193-N259 HydrophobicContact CB-CB 3.83Å; T254-N259 PolarHBondContact O-ND2 3.22Å; I255-N259 VanDerWaalsContact CA-OD1 3.32Å; I255-N259 WeakPolarHBondContact CA-OD1 3.22Å; T256-N259 PolarHBondContact N-OD1 3.34Å; T256-N259 PolarHBondContact O-N 3.3Å; T256-N259 PolarHBondContact O-OD1 2.84Å; T256-N259 PolarHBondContact OG1-N 2.93Å; T256-N259 PolarHBondContact OG1-ND2 2.82Å; N259-S334 WeakPolarHBondContact O-CB 3.07Å; N259-S334 PolarHBondContact O-N 2.88Å; N259-S334 PolarHBondContact O-OG 2.98Å; N259-S334 VanDerWaalsContact O-OG 3.13Å
260A98.3Very high97.1Very high5 Ų535.8 Ų35.84%0.04119%0.188CC..BIsolated β-bridgetrans-96.7156.916400000110I255 T256 F333I255-A260 HydrophobicContact CG2-CB 3.96Å; T256-A260 VanDerWaalsContact O-CB 3.31Å; T256-A260 WeakPolarHBondContact O-CB 3.36Å; T256-A260 PolarHBondContact O-N 2.89Å; A260-F333 HydrophobicContact CB-CD1 3.52Å; A260-F333 HydrophobicContact CB-CE1 3.72Å
261S98.4Very high97.5Very high25 Ų2526.5 Ų26.518%0.17515%0.148CC..PPolyproline II helixtrans-66.8155.8163.558.20000111.9E331 A332 A357S261-E331 WeakPolarHBondContact CB-O 3.36Å; S261-A332 WeakPolarHBondContact CB-O 3.4Å; S261-A332 PolarHBondContact N-O 3.01Å; S261-A332 PolarHBondContact OG-O 2.86Å; S261-A357 WeakPolarHBondContact CB-O 3.44Å
262T98.1Very high97.9Very high28 Ų2819.1 Ų19.117%0.17211%0.113CC..PPolyproline II helixtrans-97.4170.4179.752.20000111.7E232 N264 H362E232-T262 HydrophobicContact CG-CG2 4.18Å; E232-T262 VanDerWaalsContact CG-OG1 3.28Å; E232-T262 WeakPolarHBondContact CG-OG1 3.26Å; T262-N264 PolarHBondContact O-OD1 2.94Å; T262-N264 PolarHBondContact OG1-OD1 2.99Å; T262-H362 PolarHBondContact O-N 3.12Å
263L98.6Very high98.4Very high54 Ų5410.4 Ų10.428%0.2837%0.073SC..PPolyproline II helixtrans-86.6130174.8-42.7176.6000108.3F33 M134 L157 L162F33-L263 WeakPolarHBondContact CA-O 3.46Å; F33-L263 HydrophobicContact CB-CB 4.02Å; F33-L263 VanDerWaalsContact CB-O 3.31Å; F33-L263 WeakPolarHBondContact CB-O 3.18Å; F33-L263 HydrophobicContact CD1-CD1 4.33Å; F33-L263 HydrophobicContact CD2-CB 3.83Å; F33-L263 HydrophobicContact CD2-CD1 4.29Å; F33-L263 HydrophobicContact CE1-CD1 4.36Å; F33-L263 HydrophobicContact CE2-CD1 4.32Å; F33-L263 HydrophobicContact CG-CB 3.98Å; F33-L263 HydrophobicContact CG-CD1 4.29Å; F33-L263 HydrophobicContact CZ-CD1 4.37Å; F33-L263 PolarHBondContact N-O 3.02Å; M134-L263 HydrophobicContact CB-CB 4.47Å; M134-L263 HydrophobicContact CE-CB 4.08Å; M134-L263 HydrophobicContact CE-CD2 3.54Å; M134-L263 HydrophobicContact CE-CG 4.35Å; M134-L263 HydrophobicContact SD-CB 4.05Å; M134-L263 HydrophobicContact SD-CD2 4.43Å; L157-L263 HydrophobicContact CD1-CD1 3.97Å; L157-L263 HydrophobicContact CD2-CD1 4.11Å; L157-L263 HydrophobicContact CD2-CD2 4.19Å; L162-L263 HydrophobicContact CD1-CD2 3.83Å
264N98.9Very high98.4Very high0 Ų010 Ų100%07%0.069CC..EExtended strand (participates in β ladder)trans-145.3164.2-170.4-6392.5000113.2G31 M134 E232 T262 G361 H362 P363G31-N264 VanDerWaalsContact O-CA 3.25Å; G31-N264 WeakPolarHBondContact O-CA 3.32Å; G31-N264 VanDerWaalsContact O-CB 3.22Å; G31-N264 WeakPolarHBondContact O-CB 3.32Å; G31-N264 PolarHBondContact O-ND2 2.97Å; M134-N264 WeakPolarHBondContact CB-O 3.2Å; M134-N264 VanDerWaalsContact CG-O 3.25Å; M134-N264 WeakPolarHBondContact CG-O 3.2Å; M134-N264 PolarHBondContact SD-N 3.39Å; M134-N264 VanDerWaalsContact SD-N 3.44Å; E232-N264 PolarHBondContact OE2-ND2 3.22Å; E232-N264 VanDerWaalsContact OE2-ND2 3.16Å; T262-N264 PolarHBondContact O-OD1 2.94Å; T262-N264 PolarHBondContact OG1-OD1 2.99Å; N264-G361 VanDerWaalsContact OD1-C 3.31Å; N264-G361 WeakPolarHBondContact OD1-CA 3.34Å; N264-H362 PolarHBondContact OD1-N 3.47Å; N264-P363 HydrophobicContact CB-CB 4.4Å; N264-P363 HydrophobicContact CB-CG 3.8Å
265D98.9Very high98.3Very high0 Ų012.9 Ų12.90%08%0.081CC..EExtended strand (participates in β ladder)trans-113.5140.5172.7-54-55.1000109.5M30 G31 L37 L45 S133 M134 S135M30-D265 WeakPolarHBondContact CA-O 3.32Å; G31-D265 PolarHBondContact N-O 2.85Å; G31-D265 PolarHBondContact O-N 3.5Å; L37-D265 HydrophobicContact CB-CB 3.94Å; L45-D265 HydrophobicContact CD1-CB 4.09Å; S133-D265 WeakPolarHBondContact CA-OD1 3.37Å; S133-D265 WeakPolarHBondContact CB-OD1 3.46Å; S133-D265 PolarHBondContact OG-OD1 3.23Å; M134-D265 PolarHBondContact N-OD1 2.97Å; S135-D265 WeakPolarHBondContact CB-OD1 3.44Å; S135-D265 VanDerWaalsContact CB-OD2 3.23Å; S135-D265 WeakPolarHBondContact CB-OD2 3.44Å; S135-D265 PolarHBondContact N-OD1 3.3Å; S135-D265 VanDerWaalsContact OG-CG 3.23Å; S135-D265 PolarHBondContact OG-OD1 2.89Å; S135-D265 PolarHBondContact OG-OD2 3.05Å
266G98.9Very high98.1Very high0 Ų018.1 Ų18.10%010%0.104CC..EExtended strand (participates in β ladder)trans173.2165.2175.800000113.6T28 M131 E132T28-G266 WeakPolarHBondContact OG1-CA 3.41Å; M131-G266 WeakPolarHBondContact CA-O 3.3Å; E132-G266 PolarHBondContact N-O 3.38Å; E132-G266 PolarHBondContact O-N 3.34Å; E132-G266 VanDerWaalsContact O-O 3.13Å
267A99Very high98Very high0 Ų018.4 Ų18.40%011%0.106CC..EExtended strand (participates in β ladder)trans-140.8155.5173.300000112.1R27 T28 L45 A49 G130 M131R27-A267 CarbonylContact C-O 3.53Å; R27-A267 WeakPolarHBondContact CA-O 3.31Å; R27-A267 VanDerWaalsContact CB-O 3.31Å; R27-A267 WeakPolarHBondContact CB-O 3.33Å; T28-A267 HydrophobicContact CG2-CB 4.28Å; T28-A267 PolarHBondContact N-O 2.91Å; T28-A267 PolarHBondContact OG1-N 3.08Å; T28-A267 PolarHBondContact OG1-O 2.96Å; L45-A267 HydrophobicContact CB-CB 3.72Å; L45-A267 WeakPolarHBondContact O-CB 3.42Å; A49-A267 HydrophobicContact CB-CB 4.08Å; G130-A267 CarbonylContact O-C 3.29Å; G130-A267 WeakPolarHBondContact O-CA 3.34Å; M131-A267 HydrophobicContact CB-CB 3.75Å
268C98.8Very high97.9Very high0 Ų016.1 Ų16.10%08%0.084CC..EExtended strand (participates in β ladder)trans-142.8139.4178.8176.10000109C26 R27 G129 G130 M366 A369 T373C26-C268 CarbonylContact O-C 3.59Å; C26-C268 VanDerWaalsContact O-CA 3.32Å; C26-C268 WeakPolarHBondContact O-CA 3.3Å; R27-C268 HydrophobicContact CB-CB 3.99Å; G129-C268 CarbonylContact C-O 3.5Å; G129-C268 WeakPolarHBondContact CA-O 3.27Å; G130-C268 PolarHBondContact N-O 3.22Å; G130-C268 PolarHBondContact O-N 2.87Å; G130-C268 VanDerWaalsContact O-O 3.06Å; C268-M366 HydrophobicContact CB-CE 4.17Å; C268-M366 HydrophobicContact CB-CG 3.74Å; C268-M366 HydrophobicContact CB-SD 4.41Å; C268-A369 HydrophobicContact CB-CB 4.05Å; C268-A369 VanDerWaalsContact SG-C 3.51Å; C268-A369 PolarHBondContact SG-O 3.2Å; C268-T373 PolarHBondContact SG-OG1 3.12Å
269A99Very high97.7Very high0 Ų022.9 Ų22.90%011%0.114CC..EExtended strand (participates in β ladder)trans-145.7148.9177.300000110.9C26 A49 I50 A53 V127 A128C26-A269 PolarHBondContact N-O 3.18Å; C26-A269 PolarHBondContact O-N 2.86Å; C26-A269 VanDerWaalsContact O-O 3.14Å; A49-A269 HydrophobicContact CB-CB 3.93Å; I50-A269 HydrophobicContact CB-CB 4.4Å; I50-A269 HydrophobicContact CG1-CB 3.8Å; A53-A269 HydrophobicContact CB-CB 4.24Å; V127-A269 HydrophobicContact CG1-CB 4.13Å; A128-A269 CarbonylContact O-C 3.56Å
270M98.9Very high96.8Very high0 Ų031.2 Ų31.20%015%0.153CC..EExtended strand (participates in β ladder)trans-133.3139.6-178.7-46.4178.978.900109.1V22 S24 A25 V111 V127 A128 L272 I372 V376V22-M270 HydrophobicContact CB-CE 4.36Å; V22-M270 HydrophobicContact CG1-CE 3.52Å; V22-M270 HydrophobicContact CG2-CE 3.86Å; S24-M270 CarbonylContact O-C 3.53Å; S24-M270 WeakPolarHBondContact O-CA 3.46Å; A25-M270 HydrophobicContact CB-CB 4.46Å; A25-M270 HydrophobicContact CB-CE 3.65Å; A25-M270 HydrophobicContact CB-CG 3.99Å; V111-M270 HydrophobicContact CG2-SD 3.99Å; V127-M270 VanDerWaalsContact CA-O 3.31Å; V127-M270 WeakPolarHBondContact CA-O 3.28Å; A128-M270 PolarHBondContact N-O 2.92Å; A128-M270 PolarHBondContact O-N 3.16Å; M270-L272 HydrophobicContact CB-CD2 4.4Å; M270-I372 HydrophobicContact CE-CB 4.09Å; M270-I372 HydrophobicContact CE-CG2 3.43Å; M270-I372 VanDerWaalsContact CE-CG2 3.43Å; M270-I372 HydrophobicContact SD-CB 4.08Å; M270-I372 HydrophobicContact SD-CG2 3.93Å; M270-V376 HydrophobicContact CE-CG1 4.47Å; M270-V376 HydrophobicContact CE-CG2 4.32Å
271V98.8Very high96.3Very high0 Ų033 Ų330%016%0.164CC..EExtended strand (participates in β ladder)trans-88.4123.1166.1177.20000107.9V23 S24 A53 V54 M59 V125 V127V23-V271 HydrophobicContact CB-CB 4.26Å; V23-V271 HydrophobicContact CB-CG1 4.1Å; V23-V271 HydrophobicContact CG2-CG1 4.3Å; V23-V271 PolarHBondContact N-O 3.27Å; S24-V271 PolarHBondContact O-N 3.23Å; S24-V271 WeakPolarHBondContact OG-CB 3.36Å; S24-V271 WeakPolarHBondContact OG-CG2 3.11Å; A53-V271 HydrophobicContact CB-CG2 4.18Å; V54-V271 HydrophobicContact CG2-CG2 4.09Å; M59-V271 HydrophobicContact SD-CG1 4.04Å; V125-V271 HydrophobicContact CG1-CG1 4.04Å; V127-V271 HydrophobicContact CG2-CG2 4.13Å
272L98.9Very high95.8Very high0 Ų038.4 Ų38.40%020%0.195CC..EExtended strand (participates in β ladder)trans-113.3138.2177.9-57.5176.2000109.5Y21 V22 V111 A114 L118 V125 M126 A128 M270Y21-L272 CarbonylContact O-C 3.47Å; Y21-L272 VanDerWaalsContact O-CA 3.25Å; Y21-L272 WeakPolarHBondContact O-CA 3.36Å; V22-L272 HydrophobicContact CB-CD2 4.33Å; V22-L272 HydrophobicContact CG2-CD2 3.77Å; V111-L272 HydrophobicContact CG1-CD1 4.08Å; A114-L272 HydrophobicContact CB-CD1 3.79Å; L118-L272 HydrophobicContact CD1-CB 3.43Å; L118-L272 VanDerWaalsContact CD1-CB 3.43Å; L118-L272 HydrophobicContact CD1-CD1 4.47Å; V125-L272 WeakPolarHBondContact CA-O 3.44Å; M126-L272 PolarHBondContact N-O 3.16Å; M126-L272 PolarHBondContact O-N 2.92Å; A128-L272 HydrophobicContact CB-CD1 3.71Å; M270-L272 HydrophobicContact CB-CD2 4.4Å
273A98.5Very high95.7Very high0 Ų037.7 Ų37.70%019%0.192CC..EExtended strand (participates in β ladder)trans-140.5151.5176.700000111.4Y21 V23 M59 Q124 V125 L278Y21-A273 PolarHBondContact N-O 3.35Å; Y21-A273 PolarHBondContact O-N 2.89Å; V23-A273 HydrophobicContact CG2-CB 3.86Å; M59-A273 HydrophobicContact CE-CB 4.14Å; Q124-A273 WeakPolarHBondContact O-CA 3.35Å; V125-A273 HydrophobicContact CG2-CB 4.18Å; A273-L278 HydrophobicContact CB-CD2 3.97Å; A273-L278 HydrophobicContact CB-CG 4.01Å
274N97.6Very high95.5Very high0 Ų043.6 Ų43.60%022%0.216CC..EExtended strand (participates in β ladder)trans-93.7177.3164.769.412.6000110.7Q18 K19 L118 N121 R123 Q124 K276 G277 L278Q18-N274 HydrophobicContact CB-CB 4.08Å; K19-N274 WeakPolarHBondContact O-CA 3.41Å; K19-N274 WeakPolarHBondContact O-CB 3.31Å; L118-N274 HydrophobicContact CB-CB 4.33Å; L118-N274 PolarHBondContact O-ND2 3.46Å; N121-N274 PolarHBondContact OD1-ND2 3.46Å; R123-N274 PolarHBondContact O-ND2 3.29Å; R123-N274 VanDerWaalsContact O-ND2 3.15Å; Q124-N274 WeakPolarHBondContact CA-OD1 2.97Å; Q124-N274 PolarHBondContact O-N 2.91Å; Q124-N274 VanDerWaalsContact O-N 3.08Å; N274-K276 VanDerWaalsContact C-N 3.26Å; N274-K276 PolarHBondContact O-N 3.25Å; N274-K276 PolarHBondContact OD1-N 3.27Å; N274-G277 PolarHBondContact O-N 3.02Å; N274-G277 PolarHBondContact OD1-N 2.67Å; N274-L278 PolarHBondContact O-N 3.35Å; N274-L278 VanDerWaalsContact O-N 3.13Å
275E95.3Very high95.4Very high80 Ų8045.6 Ų45.637%0.37423%0.228SC..Hα-helixtrans-51.4-46.2-179.9-66.417916000112Y21 G277 L278 E279Y21-E275 HydrophobicContact CE2-CG 3.71Å; Y21-E275 PolarHBondContact OH-OE1 3.13Å; E275-G277 VanDerWaalsContact C-N 3.33Å; E275-G277 PolarHBondContact O-N 3.35Å; E275-L278 PolarHBondContact O-N 3.48Å; E275-L278 VanDerWaalsContact O-N 3.07Å; E275-E279 WeakPolarHBondContact O-CG 3.34Å; E275-E279 PolarHBondContact O-N 2.95Å; E275-E279 VanDerWaalsContact O-N 3.08Å
276K94.2Very high95.4Very high110 Ų11047.5 Ų47.548%0.47824%0.238SC..Hα-helixtrans-65.6-33.5-179.4-155.6-179.4-172.3-177.40113.4Q124 N274 L278Q124-K276 HydrophobicContact CG-CB 4.07Å; Q124-K276 HydrophobicContact CG-CD 4.29Å; Q124-K276 HydrophobicContact CG-CG 4.36Å; N274-K276 VanDerWaalsContact C-N 3.26Å; N274-K276 PolarHBondContact O-N 3.25Å; N274-K276 PolarHBondContact OD1-N 3.27Å; K276-L278 VanDerWaalsContact C-N 3.31Å
277G95.8Very high95.4Very high5 Ų547.5 Ų47.55%0.05224%0.238CC..Hα-helixtrans-69.8-29.1173.500000113.2N274 E275 T281N274-G277 PolarHBondContact O-N 3.02Å; N274-G277 PolarHBondContact OD1-N 2.67Å; E275-G277 VanDerWaalsContact C-N 3.33Å; E275-G277 PolarHBondContact O-N 3.35Å; G277-T281 WeakPolarHBondContact O-CG2 3.35Å
278L96.2Very high95.4Very high24 Ų2448.9 Ų48.913%0.12625%0.245CC..Hα-helixtrans-79.9-34.2178.2-66.9172.7000112.6Y21 V23 M59 A273 N274 E275 K276 Q280 T281 P285Y21-L278 HydrophobicContact CD2-CD1 3.48Å; Y21-L278 VanDerWaalsContact CD2-CD1 3.48Å; Y21-L278 HydrophobicContact CE2-CD1 4.06Å; Y21-L278 HydrophobicContact CG-CD1 4.03Å; V23-L278 HydrophobicContact CG2-CD2 3.95Å; M59-L278 HydrophobicContact CE-CD2 3.73Å; A273-L278 HydrophobicContact CB-CD2 3.97Å; A273-L278 HydrophobicContact CB-CG 4.01Å; N274-L278 PolarHBondContact O-N 3.35Å; N274-L278 VanDerWaalsContact O-N 3.13Å; E275-L278 PolarHBondContact O-N 3.48Å; E275-L278 VanDerWaalsContact O-N 3.07Å; K276-L278 VanDerWaalsContact C-N 3.31Å; L278-Q280 PolarHBondContact O-N 2.81Å; L278-T281 PolarHBondContact O-N 3.02Å; L278-T281 PolarHBondContact O-OG1 2.75Å; L278-T281 VanDerWaalsContact O-OG1 3.1Å; L278-P285 HydrophobicContact CD1-CB 4.19Å; L278-P285 HydrophobicContact CD1-CG 3.95Å
279E92.5Very high95.4Very high149 Ų14949.3 Ų49.370%0.69625%0.247SC*.THydrogen-bonded Turntrans-51.8-30.1-179.2-77172.9-174.900114.4E275E275-E279 WeakPolarHBondContact O-CG 3.34Å; E275-E279 PolarHBondContact O-N 2.95Å; E275-E279 VanDerWaalsContact O-N 3.08Å
280Q80.2Confident95.4Very high176 Ų17651.7 Ų51.782%0.82226%0.262SS*.THydrogen-bonded Turntrans-98.29.8-175.8-59.8-173.8-13.600113.3L278L278-Q280 PolarHBondContact O-N 2.81Å
281T87.3Confident95.4Very high43 Ų4352.1 Ų52.126%0.26427%0.265SS..SBendtrans-134.9157.5-173.474.40000111.3M59 G277 L278 A283M59-T281 HydrophobicContact CE-CG2 3.99Å; M59-T281 HydrophobicContact CG-CG2 4.15Å; M59-T281 HydrophobicContact SD-CG2 4.37Å; G277-T281 WeakPolarHBondContact O-CG2 3.35Å; L278-T281 PolarHBondContact O-N 3.02Å; L278-T281 PolarHBondContact O-OG1 2.75Å; L278-T281 VanDerWaalsContact O-OG1 3.1Å; T281-A283 WeakPolarHBondContact OG1-CB 3.49Å; T281-A283 PolarHBondContact OG1-N 2.97Å
282V88.2Confident95.4Very high137 Ų13754.5 Ų54.583%0.8328%0.275SS*.  trans-855168.7-62.50000112.3
283A94.5Very high95.4Very high14 Ų1454.8 Ų54.812%0.11628%0.278CS..  trans-69.9137.8-17500000110.6V23 S57 M59 T281V23-A283 HydrophobicContact CG1-CB 3.74Å; S57-A283 VanDerWaalsContact O-CB 3.26Å; S57-A283 WeakPolarHBondContact O-CB 3.49Å; M59-A283 HydrophobicContact CE-CB 3.58Å; M59-A283 HydrophobicContact CG-CB 3.86Å; T281-A283 WeakPolarHBondContact OG1-CB 3.49Å; T281-A283 PolarHBondContact OG1-N 2.97Å
284K95.1Very high95.4Very high178 Ų17857.4 Ų57.477%0.77429%0.292SS*.  trans-106.4122.6177.9-65-176.4-178.2-179.70109.1
285P97.9Very high95.4Very high41 Ų4160 Ų6027%0.26631%0.306SS..  trans-66.3145.1175.530.8-36000110.7Y21 V22 L278 L404Y21-P285 HydrophobicContact CD1-CB 4.13Å; Y21-P285 HydrophobicContact CD1-CG 4.43Å; Y21-P285 HydrophobicContact CG-CB 3.95Å; Y21-P285 HydrophobicContact CG-CG 4.42Å; V22-P285 CarbonylContact O-C 3.55Å; V22-P285 WeakPolarHBondContact O-CA 3.22Å; L278-P285 HydrophobicContact CD1-CB 4.19Å; L278-P285 HydrophobicContact CD1-CG 3.95Å; P285-L404 HydrophobicContact CB-CD1 3.68Å; P285-L404 HydrophobicContact CG-CD1 3.67Å
286I98.4Very high95.5Very high41 Ų4159.6 Ų59.621%0.2132%0.316CS..  trans-104.9-19.9-17962168.7000113V22 V376 K403 L404V22-I286 HydrophobicContact CB-CG1 4.25Å; V22-I286 HydrophobicContact CG1-CD1 4.08Å; V22-I286 HydrophobicContact CG1-CG1 3.98Å; V22-I286 VanDerWaalsContact O-CG1 3.32Å; V22-I286 WeakPolarHBondContact O-CG1 3.35Å; V22-I286 PolarHBondContact O-N 3.04Å; I286-V376 HydrophobicContact CD1-CB 4.19Å; I286-V376 HydrophobicContact CD1-CG2 3.9Å; I286-K403 VanDerWaalsContact O-CD 3.31Å; I286-K403 WeakPolarHBondContact O-CD 3.26Å; I286-K403 WeakPolarHBondContact O-CE 3.44Å; I286-L404 PolarHBondContact O-N 3.39Å; I286-L404 VanDerWaalsContact O-N 3.08Å
287A98.8Very high95.7Very high0 Ų056.6 Ų56.60%031%0.307CS..EExtended strand (participates in β ladder)trans-156.4160.817700000111.1Y21 V22 V376 K402Y21-A287 CarbonylContact C-O 3.57Å; Y21-A287 VanDerWaalsContact CA-O 3.28Å; Y21-A287 WeakPolarHBondContact CA-O 3.44Å; V22-A287 HydrophobicContact CB-CB 4.17Å; V22-A287 HydrophobicContact CG2-CB 4.35Å; V22-A287 PolarHBondContact N-O 3.44Å; V22-A287 PolarHBondContact O-N 3.28Å; A287-V376 HydrophobicContact CB-CB 4.07Å; A287-V376 HydrophobicContact CB-CG1 3.53Å; A287-K402 CarbonylContact C-O 3.54Å; A287-K402 WeakPolarHBondContact CA-O 3.49Å; A287-K402 WeakPolarHBondContact CB-O 3.46Å
288E98.8Very high95.8Very high28 Ų2860.4 Ų60.413%0.13133%0.326CS..EExtended strand (participates in β ladder)trans-105.5136.6169-179.1175.3168.400109.4K19 V20 Y21 V290 V401 K402 L404K19-E288 WeakPolarHBondContact CE-OE1 3.5Å; K19-E288 VanDerWaalsContact NZ-CD 3.34Å; K19-E288 IonicContact NZ-OE1 3.03Å; K19-E288 PolarHBondContact NZ-OE1 3.16Å; K19-E288 IonicContact NZ-OE2 2.85Å; K19-E288 PolarHBondContact NZ-OE2 2.93Å; V20-E288 WeakPolarHBondContact O-CA 3.44Å; Y21-E288 HydrophobicContact CD1-CB 4.12Å; Y21-E288 HydrophobicContact CD1-CG 4.42Å; Y21-E288 HydrophobicContact CE1-CB 4.27Å; Y21-E288 HydrophobicContact CE1-CG 4.31Å; E288-V290 HydrophobicContact CB-CG2 4.46Å; E288-V290 HydrophobicContact CG-CG2 4.21Å; E288-V401 CarbonylContact O-C 3.6Å; E288-V401 VanDerWaalsContact O-CA 3.23Å; E288-V401 WeakPolarHBondContact O-CA 3.23Å; E288-K402 PolarHBondContact N-O 3.08Å; E288-K402 PolarHBondContact O-N 2.85Å; E288-L404 HydrophobicContact CB-CD2 4.41Å
289V98.8Very high95.9Very high9 Ų960.6 Ų60.66%0.05533%0.329CS..EExtended strand (participates in β ladder)trans-85.6105.7165.9-179.10000107.2V20 V22 F292 V399 V401V20-V289 HydrophobicContact CB-CB 4.38Å; V20-V289 HydrophobicContact CG1-CB 4.4Å; V20-V289 HydrophobicContact CG1-CG2 4.4Å; V20-V289 PolarHBondContact O-N 2.93Å; V22-V289 HydrophobicContact CG2-CG2 3.98Å; V289-F292 HydrophobicContact CG1-CD1 3.82Å; V289-F292 HydrophobicContact CG1-CE1 4.29Å; V289-V399 HydrophobicContact CG1-CG1 3.97Å; V289-V401 HydrophobicContact CG2-CG1 4.49Å
290V98.6Very high96.1Very high50 Ų5055.7 Ų55.730%0.30331%0.306SS..EExtended strand (participates in β ladder)trans-86.1-52.3-166.9178.60000111.6E288 A317 F384 L400 K402E288-V290 HydrophobicContact CB-CG2 4.46Å; E288-V290 HydrophobicContact CG-CG2 4.21Å; V290-A317 HydrophobicContact CG1-CB 4.25Å; V290-F384 HydrophobicContact CG2-CE1 4.17Å; V290-L400 HydrophobicContact CB-CD2 3.88Å; V290-L400 HydrophobicContact CB-CG 4.17Å; V290-L400 HydrophobicContact CG1-CD2 3.79Å; V290-L400 PolarHBondContact N-O 3.42Å; V290-K402 HydrophobicContact CG2-CB 3.67Å
291S98.6Very high96.9Very high9 Ų948.8 Ų48.86%0.06328%0.275CS..EExtended strand (participates in β ladder)trans-151.3159.317865.80000109.9V313 L400S291-V313 VanDerWaalsContact OG-CG1 3.25Å; S291-V313 WeakPolarHBondContact OG-CG1 3.48Å; S291-V313 PolarHBondContact OG-O 2.62Å; S291-L400 PolarHBondContact O-N 3.05Å
292F98.8Very high97.4Very high51 Ų5147 Ų4722%0.22426%0.263CS..EExtended strand (participates in β ladder)trans-157.7159.7178.849.8-99.5000110.6M112 Q116 V289 V313 A398 V399M112-F292 HydrophobicContact CB-CD2 3.95Å; M112-F292 HydrophobicContact CB-CE2 4.35Å; M112-F292 HydrophobicContact CB-CG 4.28Å; M112-F292 HydrophobicContact CE-CB 4.22Å; M112-F292 HydrophobicContact CE-CD2 3.92Å; M112-F292 HydrophobicContact CE-CG 4.48Å; M112-F292 HydrophobicContact CG-CB 3.82Å; M112-F292 HydrophobicContact CG-CD2 3.97Å; M112-F292 HydrophobicContact CG-CG 3.94Å; M112-F292 HydrophobicContact SD-CB 4.5Å; Q116-F292 HydrophobicContact CG-CE2 3.81Å; Q116-F292 HydrophobicContact CG-CZ 3.8Å; V289-F292 HydrophobicContact CG1-CD1 3.82Å; V289-F292 HydrophobicContact CG1-CE1 4.29Å; F292-V313 VanDerWaalsContact C-CG2 3.46Å; F292-A398 CarbonylContact C-O 3.58Å; F292-A398 VanDerWaalsContact CA-O 3.23Å; F292-A398 WeakPolarHBondContact CA-O 3.19Å; F292-A398 WeakPolarHBondContact CB-O 3.28Å; F292-V399 HydrophobicContact CB-CB 4.44Å; F292-V399 HydrophobicContact CB-CG2 3.91Å
293G98.4Very high97.9Very high5 Ų540.4 Ų40.45%0.05222%0.224CC..EExtended strand (participates in β ladder)trans-168159.3-176.300000113.1V313 S397 A398G293-V313 VanDerWaalsContact N-CG2 3.25Å; G293-S397 WeakPolarHBondContact O-CA 3.44Å; G293-A398 PolarHBondContact N-O 2.95Å; G293-A398 PolarHBondContact O-N 3.17Å
294D98.8Very high98.1Very high55 Ų5541.5 Ų41.529%0.29423%0.227SC..EExtended strand (participates in β ladder)trans-114.5149.7172-64.2-67.3000108.7K102 K109 M112 A396 S397K102-D294 WeakPolarHBondContact CE-OD1 3.32Å; K102-D294 IonicContact NZ-OD1 3.85Å; K102-D294 PolarHBondContact NZ-OD1 2.87Å; K109-D294 IonicContact NZ-OD2 3.52Å; K109-D294 PolarHBondContact NZ-OD2 3.48Å; M112-D294 VanDerWaalsContact CE-OD2 3.28Å; M112-D294 WeakPolarHBondContact CE-OD2 3.25Å; D294-A396 WeakPolarHBondContact CA-O 3.31Å; D294-S397 WeakPolarHBondContact OD1-CB 3.36Å; D294-S397 PolarHBondContact OD1-OG 3.31Å
295N98.3Very high98.2Very high56 Ų5633 Ų3330%0.29919%0.191SC..EExtended strand (participates in β ladder)trans-139.7163.8166.5-148-60.9000109.9K308 A309 G395 A396N295-K308 HydrophobicContact CB-CB 3.96Å; N295-K308 VanDerWaalsContact CG-CB 3.43Å; N295-K308 WeakPolarHBondContact ND2-CB 3.4Å; N295-A309 HydrophobicContact CB-CB 4Å; N295-G395 CarbonylContact O-C 3.58Å; N295-G395 WeakPolarHBondContact O-CA 3.31Å; N295-A396 PolarHBondContact N-O 3.29Å; N295-A396 VanDerWaalsContact N-O 3.12Å; N295-A396 PolarHBondContact O-N 2.85Å
296A98.1Very high98.3Very high70 Ų7031.1 Ų31.158%0.57918%0.178SC*.EExtended strand (participates in β ladder)trans-144.9143.9178.100000110.9G394A296-G394 CarbonylContact C-O 3.54Å; A296-G394 VanDerWaalsContact CA-O 3.32Å; A296-G394 WeakPolarHBondContact CA-O 3.44Å
297V97.7Very high98.3Very high48 Ų4829.7 Ų29.729%0.29117%0.171SC..  trans-130.5-170.3175.6-62.30000108.5D301 A305 G394V297-D301 HydrophobicContact CB-CB 4.33Å; V297-D301 HydrophobicContact CG2-CB 3.7Å; V297-D301 VanDerWaalsContact CG2-O 3.3Å; V297-D301 WeakPolarHBondContact CG2-O 3.31Å; V297-A305 HydrophobicContact CG2-CB 3.77Å; V297-G394 WeakPolarHBondContact CG2-O 3.5Å; V297-G394 PolarHBondContact N-O 2.63Å
298D97.7Very high98.2Very high84 Ų8434.4 Ų34.445%0.44919%0.192SC..  trans-54.2141.8172.1-171.8-84.6000111.1M300 D301 G394D298-M300 PolarHBondContact O-N 3.22Å; D298-M300 VanDerWaalsContact O-N 3.16Å; D298-M300 WeakPolarHBondContact OD1-CB 3.31Å; D298-M300 PolarHBondContact OD1-N 3.02Å; D298-D301 HydrophobicContact CB-CB 4.22Å; D298-D301 WeakPolarHBondContact O-CA 3.4Å; D298-D301 PolarHBondContact O-N 2.71Å; D298-G394 WeakPolarHBondContact O-CA 3.36Å
299P97.8Very high98.2Very high28 Ų2833 Ų3318%0.18219%0.185CC..G310 helixtrans-50.3-38.6178.7-30.236.8000114.9D164 M166 D301D164-P299 WeakPolarHBondContact OD2-CB 3.41Å; M166-P299 HydrophobicContact CB-CG 4.44Å; M166-P299 HydrophobicContact CG-CG 4.18Å; P299-D301 PolarHBondContact O-N 2.82Å
300M97Very high98.2Very high46 Ų4632.6 Ų32.623%0.22718%0.183CC..G310 helixtrans-72.6-18.5178.6-72.1178.632.300113.3N167 K177 D298N167-M300 HydrophobicContact CB-CG 4.44Å; N167-M300 HydrophobicContact CB-SD 4.35Å; N167-M300 VanDerWaalsContact CG-SD 3.59Å; N167-M300 WeakPolarHBondContact ND2-CG 3.3Å; N167-M300 PolarHBondContact OD1-SD 3.44Å; N167-M300 VanDerWaalsContact OD1-SD 3.34Å; K177-M300 HydrophobicContact CD-CB 4.24Å; K177-M300 HydrophobicContact CD-CE 3.27Å; D298-M300 PolarHBondContact O-N 3.22Å; D298-M300 VanDerWaalsContact O-N 3.16Å; D298-M300 WeakPolarHBondContact OD1-CB 3.31Å; D298-M300 PolarHBondContact OD1-N 3.02Å
301D98Very high98.2Very high32 Ų3234.2 Ų34.217%0.17119%0.187CC..G310 helixtrans-96.115.7-178-68.6-27.4000113.1K177 V297 D298 P299 S303 I304 A305K177-D301 IonicContact NZ-OD1 3.65Å; K177-D301 PolarHBondContact NZ-OD1 2.79Å; K177-D301 IonicContact NZ-OD2 3.62Å; V297-D301 HydrophobicContact CB-CB 4.33Å; V297-D301 HydrophobicContact CG2-CB 3.7Å; V297-D301 VanDerWaalsContact CG2-O 3.3Å; V297-D301 WeakPolarHBondContact CG2-O 3.31Å; D298-D301 HydrophobicContact CB-CB 4.22Å; D298-D301 WeakPolarHBondContact O-CA 3.4Å; D298-D301 PolarHBondContact O-N 2.71Å; P299-D301 PolarHBondContact O-N 2.82Å; D301-S303 PolarHBondContact O-N 3.18Å; D301-I304 HydrophobicContact CB-CD1 4.24Å; D301-I304 HydrophobicContact CB-CG1 4Å; D301-I304 WeakPolarHBondContact O-CG1 3.34Å; D301-I304 PolarHBondContact O-N 3.39Å; D301-A305 PolarHBondContact O-N 2.72Å
302F98Very high98.2Very high4 Ų438.4 Ų38.42%0.01820%0.202CC..THydrogen-bonded Turntrans-52.3-32.6-177.582.4-76.4000113.5M171 C174 A175 I304 A305 F333 C390M171-F302 HydrophobicContact CB-CZ 4.48Å; C174-F302 HydrophobicContact CB-CD1 3.84Å; C174-F302 HydrophobicContact CB-CE1 3.51Å; A175-F302 HydrophobicContact CB-CE1 4.36Å; A175-F302 HydrophobicContact CB-CZ 4.21Å; F302-I304 PolarHBondContact O-N 3.44Å; F302-A305 VanDerWaalsContact O-CB 3.3Å; F302-A305 WeakPolarHBondContact O-CB 3.39Å; F302-A305 PolarHBondContact O-N 2.79Å; F302-F333 HydrophobicContact CZ-CD2 4.14Å; F302-F333 AromaticContact CZ-CE2 3.91Å; F302-F333 HydrophobicContact CZ-CE2 3.91Å; F302-C390 HydrophobicContact CD2-CB 3.83Å; F302-C390 HydrophobicContact CE2-CB 4.45Å; F302-C390 WeakPolarHBondContact O-CB 3.39Å
303S97.9Very high98.2Very high0 Ų036 Ų360%019%0.192CC..THydrogen-bonded Turntrans-63.1-26.4179.4-73.80000113.7T178 D301 P306 T336 N340T178-S303 WeakPolarHBondContact OG1-CB 3.3Å; D301-S303 PolarHBondContact O-N 3.18Å; S303-P306 WeakPolarHBondContact O-CD 3.44Å; S303-T336 PolarHBondContact OG-OG1 3.34Å; S303-N340 PolarHBondContact O-ND2 2.97Å
304I98.1Very high98.2Very high37 Ų3736.4 Ų36.419%0.1919%0.192CC..THydrogen-bonded Turntrans-102.2-9.1178.664163.3000113.5T178 D301 F302 P306 V307 A339 L343T178-I304 HydrophobicContact CG2-CG2 4.03Å; D301-I304 HydrophobicContact CB-CD1 4.24Å; D301-I304 HydrophobicContact CB-CG1 4Å; D301-I304 WeakPolarHBondContact O-CG1 3.34Å; D301-I304 PolarHBondContact O-N 3.39Å; F302-I304 PolarHBondContact O-N 3.44Å; I304-P306 VanDerWaalsContact O-N 3.15Å; I304-V307 WeakPolarHBondContact O-CB 3.49Å; I304-V307 WeakPolarHBondContact O-CG2 3.46Å; I304-V307 PolarHBondContact O-N 2.84Å; I304-A339 HydrophobicContact CG2-CB 4.34Å; I304-L343 HydrophobicContact CB-CD1 4.09Å; I304-L343 HydrophobicContact CG2-CD1 3.67Å
305A98.5Very high98.2Very high0 Ų040.6 Ų40.60%021%0.21CC..Hα-helixtrans-48.2-37.6172.500000114.2V297 D301 F302 V307 K308 A309 A396V297-A305 HydrophobicContact CG2-CB 3.77Å; D301-A305 PolarHBondContact O-N 2.72Å; F302-A305 VanDerWaalsContact O-CB 3.3Å; F302-A305 WeakPolarHBondContact O-CB 3.39Å; F302-A305 PolarHBondContact O-N 2.79Å; A305-V307 PolarHBondContact O-N 3.13Å; A305-K308 PolarHBondContact O-N 3.13Å; A305-A309 PolarHBondContact O-N 3.23Å; A305-A396 VanDerWaalsContact C-CB 3.44Å; A305-A396 HydrophobicContact CB-CB 3.67Å
306P98.8Very high98.1Very high1 Ų143.1 Ų43.11%0.00622%0.22CC..Hα-helixtrans-62.4-27.9-180-21.633.2000113.9S303 I304 K308 A309 V310 N340 T388 C390 A396S303-P306 WeakPolarHBondContact O-CD 3.44Å; I304-P306 VanDerWaalsContact O-N 3.15Å; P306-K308 VanDerWaalsContact C-N 3.34Å; P306-K308 PolarHBondContact O-N 3.23Å; P306-A309 PolarHBondContact O-N 3.28Å; P306-V310 WeakPolarHBondContact O-CB 3.39Å; P306-V310 WeakPolarHBondContact O-CG2 3.49Å; P306-V310 PolarHBondContact O-N 3.08Å; P306-N340 WeakPolarHBondContact CB-OD1 3.29Å; P306-T388 HydrophobicContact CB-CG2 3.96Å; P306-T388 WeakPolarHBondContact CB-OG1 3.21Å; P306-C390 HydrophobicContact CG-CB 3.78Å; P306-A396 HydrophobicContact CB-CB 4.22Å; P306-A396 HydrophobicContact CG-CB 3.98Å
307V98.6Very high98.1Very high11 Ų1141.2 Ų41.27%0.06721%0.205CC..Hα-helixtrans-55.6-50.2177.1177.80000110.4I304 A305 V310 E311 N340 L343 L344I304-V307 WeakPolarHBondContact O-CB 3.49Å; I304-V307 WeakPolarHBondContact O-CG2 3.46Å; I304-V307 PolarHBondContact O-N 2.84Å; A305-V307 PolarHBondContact O-N 3.13Å; V307-V310 PolarHBondContact O-N 3.08Å; V307-E311 WeakPolarHBondContact O-CG 3.36Å; V307-E311 PolarHBondContact O-N 3.12Å; V307-N340 VanDerWaalsContact CG2-OD1 3.22Å; V307-N340 WeakPolarHBondContact CG2-OD1 3.36Å; V307-N340 PolarHBondContact N-OD1 2.99Å; V307-L343 HydrophobicContact CG1-CB 4.38Å; V307-L343 HydrophobicContact CG2-CB 3.81Å; V307-L343 HydrophobicContact CG2-CD1 3.9Å; V307-L344 HydrophobicContact CB-CD2 4.43Å; V307-L344 HydrophobicContact CB-CG 4.44Å; V307-L344 HydrophobicContact CG1-CD2 3.78Å; V307-L344 HydrophobicContact CG1-CG 4.08Å; V307-L344 HydrophobicContact CG2-CG 4.27Å
308K97.7Very high98.1Very high98 Ų9842.3 Ų42.343%0.42623%0.226SC..Hα-helixtrans-71.8-32.5-178.1-67.1-74.2161.2-149.20112.7N295 A305 P306 E311 Y312N295-K308 HydrophobicContact CB-CB 3.96Å; N295-K308 VanDerWaalsContact CG-CB 3.43Å; N295-K308 WeakPolarHBondContact ND2-CB 3.4Å; A305-K308 PolarHBondContact O-N 3.13Å; P306-K308 VanDerWaalsContact C-N 3.34Å; P306-K308 PolarHBondContact O-N 3.23Å; K308-E311 WeakPolarHBondContact CD-OE2 3.31Å; K308-E311 IonicContact NZ-OE1 2.73Å; K308-E311 IonicContact NZ-OE2 2.77Å; K308-E311 PolarHBondContact NZ-OE2 3.14Å; K308-Y312 WeakPolarHBondContact O-CB 3.49Å; K308-Y312 PolarHBondContact O-N 2.8Å
309A98.6Very high98.1Very high0 Ų040.1 Ų40.10%021%0.214CC..Hα-helixtrans-66.5-41.317300000111.6N295 A305 P306 V313 A396 A398N295-A309 HydrophobicContact CB-CB 4Å; A305-A309 PolarHBondContact O-N 3.23Å; P306-A309 PolarHBondContact O-N 3.28Å; A309-V313 WeakPolarHBondContact O-CB 3.2Å; A309-V313 VanDerWaalsContact O-CG2 3.28Å; A309-V313 WeakPolarHBondContact O-CG2 3.38Å; A309-V313 PolarHBondContact O-N 3.32Å; A309-A396 HydrophobicContact CB-CB 4.05Å; A309-A398 HydrophobicContact CB-CB 3.9Å
310V98.8Very high98.1Very high0 Ų046.3 Ų46.30%023%0.234CC..Hα-helixtrans-62.8-50.8176.3167.50000111.2P306 V307 Y312 V313 L314 W327 L344 L386 T388P306-V310 WeakPolarHBondContact O-CB 3.39Å; P306-V310 WeakPolarHBondContact O-CG2 3.49Å; P306-V310 PolarHBondContact O-N 3.08Å; V307-V310 PolarHBondContact O-N 3.08Å; V310-Y312 VanDerWaalsContact C-N 3.31Å; V310-Y312 PolarHBondContact O-N 3.07Å; V310-V313 PolarHBondContact O-N 3.39Å; V310-L314 HydrophobicContact CG1-CD1 3.89Å; V310-L314 HydrophobicContact CG1-CG 4.41Å; V310-L314 WeakPolarHBondContact O-CG 3.41Å; V310-L314 PolarHBondContact O-N 3.21Å; V310-W327 HydrophobicContact CG1-CH2 4.09Å; V310-W327 HydrophobicContact CG1-CZ3 3.66Å; V310-L344 HydrophobicContact CB-CD1 4.13Å; V310-L344 HydrophobicContact CB-CD2 4.24Å; V310-L344 HydrophobicContact CG1-CD1 3.97Å; V310-L344 HydrophobicContact CG1-CD2 3.9Å; V310-L344 HydrophobicContact CG2-CD1 4.1Å; V310-L386 HydrophobicContact CG1-CD1 4.11Å; V310-L386 HydrophobicContact CG2-CD2 3.69Å; V310-T388 HydrophobicContact CG2-CG2 3.93Å
311E98.3Very high98.2Very high84 Ų8447.7 Ų47.739%0.39324%0.238SC..Hα-helixtrans-54.5-48.1178.8-74.1173.9164.300111.1V307 K308 V313 L314 E315 L344V307-E311 WeakPolarHBondContact O-CG 3.36Å; V307-E311 PolarHBondContact O-N 3.12Å; K308-E311 WeakPolarHBondContact CD-OE2 3.31Å; K308-E311 IonicContact NZ-OE1 2.73Å; K308-E311 IonicContact NZ-OE2 2.77Å; K308-E311 PolarHBondContact NZ-OE2 3.14Å; E311-V313 PolarHBondContact O-N 2.81Å; E311-L314 PolarHBondContact O-N 3.14Å; E311-E315 WeakPolarHBondContact O-CB 3.38Å; E311-E315 PolarHBondContact O-N 3.37Å; E311-L344 HydrophobicContact CG-CD2 4.28Å
312Y98.2Very high98.1Very high97 Ų9751.5 Ų51.538%0.3826%0.255SS..Hα-helixtrans-60.1-46.9176.9175.8-93000112.3K308 V310 L314 E315 Q316K308-Y312 WeakPolarHBondContact O-CB 3.49Å; K308-Y312 PolarHBondContact O-N 2.8Å; V310-Y312 VanDerWaalsContact C-N 3.31Å; V310-Y312 PolarHBondContact O-N 3.07Å; Y312-L314 VanDerWaalsContact C-N 3.34Å; Y312-L314 PolarHBondContact O-N 3.09Å; Y312-E315 PolarHBondContact O-N 3.12Å; Y312-Q316 HydrophobicContact CD1-CG 4.05Å; Y312-Q316 HydrophobicContact CD2-CG 4.4Å; Y312-Q316 HydrophobicContact CE1-CG 3.6Å; Y312-Q316 HydrophobicContact CE2-CG 3.99Å; Y312-Q316 HydrophobicContact CG-CG 4.44Å; Y312-Q316 VanDerWaalsContact O-CG 3.32Å; Y312-Q316 WeakPolarHBondContact O-CG 3.44Å; Y312-Q316 PolarHBondContact O-N 3.24Å
313V98.6Very high98.2Very high0 Ų054 Ų540%027%0.269CS..Hα-helixtrans-63.5-38.9-177.9165.10000112.4S291 F292 G293 A309 V310 E311 A317 L386 A398 L400S291-V313 VanDerWaalsContact OG-CG1 3.25Å; S291-V313 WeakPolarHBondContact OG-CG1 3.48Å; S291-V313 PolarHBondContact OG-O 2.62Å; F292-V313 VanDerWaalsContact C-CG2 3.46Å; G293-V313 VanDerWaalsContact N-CG2 3.25Å; A309-V313 WeakPolarHBondContact O-CB 3.2Å; A309-V313 VanDerWaalsContact O-CG2 3.28Å; A309-V313 WeakPolarHBondContact O-CG2 3.38Å; A309-V313 PolarHBondContact O-N 3.32Å; V310-V313 PolarHBondContact O-N 3.39Å; E311-V313 PolarHBondContact O-N 2.81Å; V313-A317 PolarHBondContact O-N 3.31Å; V313-A317 VanDerWaalsContact O-N 3.16Å; V313-L386 HydrophobicContact CG1-CD1 4.15Å; V313-A398 HydrophobicContact CB-CB 4.32Å; V313-A398 HydrophobicContact CG2-CB 3.73Å; V313-L400 HydrophobicContact CG1-CB 3.65Å
314L98.6Very high98.2Very high13 Ų1354.1 Ų54.17%0.06827%0.269CS..Hα-helixtrans-68-43.6175.5-69.7174.3000111.7V310 E311 Y312 Q316 A317 G318 L319 K321 V324 W327 L386V310-L314 HydrophobicContact CG1-CD1 3.89Å; V310-L314 HydrophobicContact CG1-CG 4.41Å; V310-L314 WeakPolarHBondContact O-CG 3.41Å; V310-L314 PolarHBondContact O-N 3.21Å; E311-L314 PolarHBondContact O-N 3.14Å; Y312-L314 VanDerWaalsContact C-N 3.34Å; Y312-L314 PolarHBondContact O-N 3.09Å; L314-Q316 PolarHBondContact O-N 2.95Å; L314-A317 CarbonylContact O-C 3.55Å; L314-A317 PolarHBondContact O-N 3.49Å; L314-A317 VanDerWaalsContact O-N 3.14Å; L314-G318 PolarHBondContact O-N 2.91Å; L314-L319 HydrophobicContact CD2-CB 4.3Å; L314-L319 PolarHBondContact O-N 3.37Å; L314-K321 HydrophobicContact CD1-CB 4.15Å; L314-V324 HydrophobicContact CD2-CG2 3.74Å; L314-W327 HydrophobicContact CD1-CH2 4.2Å; L314-L386 HydrophobicContact CD2-CD1 3.93Å; L314-L386 HydrophobicContact CG-CD1 4.06Å
315E98.1Very high98.2Very high144 Ų14454.3 Ų54.367%0.67327%0.272SS*.Hα-helixtrans-58.1-47.4175-176.3-177.6-168.900111.3E311 Y312 A317 G318E311-E315 WeakPolarHBondContact O-CB 3.38Å; E311-E315 PolarHBondContact O-N 3.37Å; Y312-E315 PolarHBondContact O-N 3.12Å; E315-A317 PolarHBondContact O-N 3.49Å; E315-G318 PolarHBondContact O-N 2.95Å
316Q97.1Very high98.2Very high108 Ų10855.3 Ų55.351%0.50528%0.278SS..Hα-helixtrans-63.3-28.4177.6-66.2-48.4-63.400113.1Y312 L314Y312-Q316 HydrophobicContact CD1-CG 4.05Å; Y312-Q316 HydrophobicContact CD2-CG 4.4Å; Y312-Q316 HydrophobicContact CE1-CG 3.6Å; Y312-Q316 HydrophobicContact CE2-CG 3.99Å; Y312-Q316 HydrophobicContact CG-CG 4.44Å; Y312-Q316 VanDerWaalsContact O-CG 3.32Å; Y312-Q316 WeakPolarHBondContact O-CG 3.44Å; Y312-Q316 PolarHBondContact O-N 3.24Å; L314-Q316 PolarHBondContact O-N 2.95Å
317A97.7Very high98.3Very high31 Ų3155.6 Ų55.626%0.25628%0.278SS..Hα-helixtrans-83.8-11.3175.200000113.6V290 V313 L314 E315 L319 L400V290-A317 HydrophobicContact CG1-CB 4.25Å; V313-A317 PolarHBondContact O-N 3.31Å; V313-A317 VanDerWaalsContact O-N 3.16Å; L314-A317 CarbonylContact O-C 3.55Å; L314-A317 PolarHBondContact O-N 3.49Å; L314-A317 VanDerWaalsContact O-N 3.14Å; E315-A317 PolarHBondContact O-N 3.49Å; A317-L319 HydrophobicContact CB-CB 4.27Å; A317-L319 HydrophobicContact CB-CD1 4.03Å; A317-L319 HydrophobicContact CB-CG 3.94Å; A317-L319 PolarHBondContact O-N 2.88Å; A317-L400 HydrophobicContact CB-CD2 3.55Å
318G98Very high98.3Very high71 Ų7155.2 Ų55.273%0.73228%0.276SS*.THydrogen-bonded Turntrans63.530.8-169.900000112.9L314 E315L314-G318 PolarHBondContact O-N 2.91Å; E315-G318 PolarHBondContact O-N 2.95Å
319L98.4Very high98.3Very high37 Ų3750.6 Ų50.619%0.19426%0.256CS..  trans-114.2163-179.5-65179.9000111.1L314 A317 D323 F384 L400L314-L319 HydrophobicContact CD2-CB 4.3Å; L314-L319 PolarHBondContact O-N 3.37Å; A317-L319 HydrophobicContact CB-CB 4.27Å; A317-L319 HydrophobicContact CB-CD1 4.03Å; A317-L319 HydrophobicContact CB-CG 3.94Å; A317-L319 PolarHBondContact O-N 2.88Å; L319-D323 HydrophobicContact CB-CB 4.41Å; L319-D323 HydrophobicContact CD2-CB 4.24Å; L319-F384 HydrophobicContact CD1-CD1 3.81Å; L319-F384 HydrophobicContact CD1-CD2 4.19Å; L319-F384 HydrophobicContact CD1-CE1 3.66Å; L319-F384 HydrophobicContact CD1-CE2 4.07Å; L319-F384 HydrophobicContact CD1-CG 4.07Å; L319-F384 HydrophobicContact CD1-CZ 3.8Å; L319-F384 HydrophobicContact CD2-CE2 4.44Å; L319-F384 HydrophobicContact CD2-CZ 4.43Å; L319-L400 HydrophobicContact CD1-CD2 3.69Å
320R97.9Very high98.3Very high159 Ų15950.7 Ų50.760%0.626%0.256SS*.  trans-109.7164.3171.7-53.5175.9-62.21647.9109.8E322 D323R320-E322 VanDerWaalsContact CB-OE2 3.24Å; R320-E322 WeakPolarHBondContact CB-OE2 3.43Å; R320-E322 PolarHBondContact O-N 3.47Å; R320-D323 PolarHBondContact N-OD2 3.11Å; R320-D323 IonicContact NE-OD2 3.91Å; R320-D323 IonicContact NH2-OD1 2.72Å; R320-D323 WeakPolarHBondContact O-CB 3.32Å; R320-D323 PolarHBondContact O-N 3.16Å
321K97.4Very high98.3Very high75 Ų7550.8 Ų50.833%0.32626%0.257SS..G310 helixtrans-60-28.417864176.6179.1166.90112.5L314 D323 V324 W327 L344 G345 L346L314-K321 HydrophobicContact CD1-CB 4.15Å; K321-D323 PolarHBondContact O-N 2.7Å; K321-V324 PolarHBondContact O-N 2.69Å; K321-W327 HydrophobicContact CB-CH2 4.03Å; K321-W327 HydrophobicContact CB-CZ2 3.92Å; K321-W327 WeakPolarHBondContact O-CZ2 3.32Å; K321-L344 VanDerWaalsContact CD-O 3.27Å; K321-L344 WeakPolarHBondContact CD-O 3.39Å; K321-L344 PolarHBondContact NZ-O 3.26Å; K321-G345 PolarHBondContact NZ-O 3.16Å; K321-L346 HydrophobicContact CB-CD2 4.42Å; K321-L346 HydrophobicContact CD-CD2 4.41Å
322E97.8Very high98.3Very high112 Ų11247 Ų4752%0.52324%0.24SC..G310 helixtrans-69.2-20.1177.5-62.173.4-154.800113R320 V324R320-E322 VanDerWaalsContact CB-OE2 3.24Å; R320-E322 WeakPolarHBondContact CB-OE2 3.43Å; R320-E322 PolarHBondContact O-N 3.47Å; E322-V324 VanDerWaalsContact C-N 3.3Å
323D98.3Very high98.4Very high57 Ų5743.1 Ų43.131%0.30523%0.225SC..G310 helixtrans-82.4-11.2178.6-53-47.5000112L319 R320 K321L319-D323 HydrophobicContact CB-CB 4.41Å; L319-D323 HydrophobicContact CD2-CB 4.24Å; R320-D323 PolarHBondContact N-OD2 3.11Å; R320-D323 IonicContact NE-OD2 3.91Å; R320-D323 IonicContact NH2-OD1 2.72Å; R320-D323 WeakPolarHBondContact O-CB 3.32Å; R320-D323 PolarHBondContact O-N 3.16Å; K321-D323 PolarHBondContact O-N 2.7Å
324V98.8Very high98.4Very high1 Ų143.1 Ų43.11%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-87.9120.9177-178.10000110.1L314 K321 E322 L326 W327 L386 L400L314-V324 HydrophobicContact CD2-CG2 3.74Å; K321-V324 PolarHBondContact O-N 2.69Å; E322-V324 VanDerWaalsContact C-N 3.3Å; V324-L326 VanDerWaalsContact CG1-O 3.28Å; V324-L326 WeakPolarHBondContact CG1-O 3.34Å; V324-W327 HydrophobicContact CB-CD2 4.45Å; V324-W327 HydrophobicContact CB-CH2 4.05Å; V324-W327 HydrophobicContact CB-CZ2 3.45Å; V324-W327 VanDerWaalsContact CB-CZ2 3.45Å; V324-W327 HydrophobicContact CG1-CD2 3.81Å; V324-W327 VanDerWaalsContact CG1-CE2 3.49Å; V324-W327 HydrophobicContact CG1-CE3 4.28Å; V324-W327 HydrophobicContact CG1-CG 4.26Å; V324-W327 HydrophobicContact CG1-CH2 4.25Å; V324-W327 HydrophobicContact CG1-CZ2 3.76Å; V324-W327 HydrophobicContact CG1-CZ3 4.48Å; V324-W327 HydrophobicContact CG2-CH2 3.89Å; V324-W327 HydrophobicContact CG2-CZ2 3.8Å; V324-L386 HydrophobicContact CG1-CB 3.94Å; V324-L386 HydrophobicContact CG2-CB 4.46Å; V324-L400 HydrophobicContact CG2-CD1 4.29Å
325T98.8Very high98.4Very high42 Ų4242.5 Ų42.526%0.25822%0.222SC..EExtended strand (participates in β ladder)trans-77-48-180-53.90000111.7K350 E383 F384T325-K350 WeakPolarHBondContact O-CD 3.33Å; T325-E383 HydrophobicContact CG2-CG 4.33Å; T325-F384 WeakPolarHBondContact CB-O 3.32Å; T325-F384 PolarHBondContact N-O 3.37Å
326L98.8Very high98.4Very high21 Ų2135.7 Ų35.711%0.1119%0.19CC..EExtended strand (participates in β ladder)trans-130.5143.8-176.6-62.5179.3000112.1V324 I353 L375 V378 L379 F384 G385 L386V324-L326 VanDerWaalsContact CG1-O 3.28Å; V324-L326 WeakPolarHBondContact CG1-O 3.34Å; L326-I353 HydrophobicContact CD1-CD1 3.96Å; L326-I353 HydrophobicContact CD2-CD1 3.69Å; L326-I353 HydrophobicContact CD2-CG1 4.25Å; L326-I353 HydrophobicContact CD2-CG2 4.1Å; L326-L375 HydrophobicContact CB-CD2 3.89Å; L326-V378 HydrophobicContact CD1-CG2 3.75Å; L326-L379 HydrophobicContact CB-CD2 4.01Å; L326-L379 HydrophobicContact CD1-CD2 3.87Å; L326-L379 HydrophobicContact CD1-CG 4.37Å; L326-L379 HydrophobicContact CG-CD2 3.97Å; L326-F384 PolarHBondContact N-O 3.28Å; L326-G385 WeakPolarHBondContact O-CA 3.27Å; L326-L386 PolarHBondContact O-N 3.07Å
327W98.9Very high98.5Very high6 Ų630.6 Ų30.62%0.02317%0.166CC..EExtended strand (participates in β ladder)trans-120.2124.6-179.4-58.884.2000109.8V310 L314 K321 V324 I329 L346 K350 V351 N352 L386V310-W327 HydrophobicContact CG1-CH2 4.09Å; V310-W327 HydrophobicContact CG1-CZ3 3.66Å; L314-W327 HydrophobicContact CD1-CH2 4.2Å; K321-W327 HydrophobicContact CB-CH2 4.03Å; K321-W327 HydrophobicContact CB-CZ2 3.92Å; K321-W327 WeakPolarHBondContact O-CZ2 3.32Å; V324-W327 HydrophobicContact CB-CD2 4.45Å; V324-W327 HydrophobicContact CB-CH2 4.05Å; V324-W327 HydrophobicContact CB-CZ2 3.45Å; V324-W327 VanDerWaalsContact CB-CZ2 3.45Å; V324-W327 HydrophobicContact CG1-CD2 3.81Å; V324-W327 VanDerWaalsContact CG1-CE2 3.49Å; V324-W327 HydrophobicContact CG1-CE3 4.28Å; V324-W327 HydrophobicContact CG1-CG 4.26Å; V324-W327 HydrophobicContact CG1-CH2 4.25Å; V324-W327 HydrophobicContact CG1-CZ2 3.76Å; V324-W327 HydrophobicContact CG1-CZ3 4.48Å; V324-W327 HydrophobicContact CG2-CH2 3.89Å; V324-W327 HydrophobicContact CG2-CZ2 3.8Å; W327-I329 HydrophobicContact CB-CG1 4.46Å; W327-L346 HydrophobicContact CD2-CD1 3.9Å; W327-L346 HydrophobicContact CD2-CD2 4.23Å; W327-L346 HydrophobicContact CE3-CD1 4.05Å; W327-L346 HydrophobicContact CG-CD1 4.2Å; W327-L346 HydrophobicContact CH2-CD2 3.89Å; W327-L346 HydrophobicContact CZ2-CD2 3.51Å; W327-L346 HydrophobicContact CZ3-CD1 4.48Å; W327-L346 HydrophobicContact CZ3-CD2 4.39Å; W327-K350 PolarHBondContact N-O 3.26Å; W327-V351 HydrophobicContact CB-CB 4.34Å; W327-V351 HydrophobicContact CB-CG1 4.48Å; W327-V351 HydrophobicContact CB-CG2 3.83Å; W327-V351 HydrophobicContact CG-CG2 4.16Å; W327-V351 CarbonylContact O-C 3.52Å; W327-V351 WeakPolarHBondContact O-CA 3.28Å; W327-N352 PolarHBondContact O-N 2.84Å; W327-N352 PolarHBondContact O-OD1 2.76Å; W327-L386 HydrophobicContact CE3-CB 3.89Å; W327-L386 HydrophobicContact CE3-CD2 4.15Å; W327-L386 HydrophobicContact CE3-CG 4.41Å; W327-L386 HydrophobicContact CH2-CD1 4.36Å; W327-L386 HydrophobicContact CZ3-CB 3.94Å; W327-L386 HydrophobicContact CZ3-CD1 3.79Å; W327-L386 HydrophobicContact CZ3-CD2 4.02Å; W327-L386 HydrophobicContact CZ3-CG 4.13Å
328E98.9Very high98.5Very high3 Ų330.8 Ų30.81%0.01416%0.163CC..EExtended strand (participates in β ladder)trans-106.6100.4166-84.4-72.7128.600108.5N352 R370 L371 H374 L375 L386 A387 T388E328-N352 VanDerWaalsContact CA-OD1 3.31Å; E328-N352 WeakPolarHBondContact CA-OD1 3.46Å; E328-R370 IonicContact OE2-CZ 2.6Å; E328-R370 IonicContact OE2-NH1 2.78Å; E328-R370 PolarHBondContact OE2-NH1 2.84Å; E328-R370 IonicContact OE2-NH2 2.78Å; E328-R370 PolarHBondContact OE2-NH2 3.2Å; E328-L371 HydrophobicContact CB-CB 3.8Å; E328-L371 HydrophobicContact CB-CD2 4.1Å; E328-L371 HydrophobicContact CB-CG 4.32Å; E328-L371 HydrophobicContact CG-CB 4.41Å; E328-L371 WeakPolarHBondContact OE2-CD2 3.32Å; E328-H374 IonicContact OE1-CD2 2.67Å; E328-H374 PolarHBondContact OE1-CD2 2.52Å; E328-L375 HydrophobicContact CB-CD1 4.2Å; E328-L375 HydrophobicContact CB-CD2 4.38Å; E328-L375 HydrophobicContact CB-CG 4.17Å; E328-L375 HydrophobicContact CG-CD1 4.38Å; E328-L375 HydrophobicContact CG-CD2 3.86Å; E328-L375 HydrophobicContact CG-CG 3.8Å; E328-L386 PolarHBondContact N-O 3.28Å; E328-A387 HydrophobicContact CB-CB 4.45Å; E328-A387 CarbonylContact O-C 3.55Å; E328-A387 VanDerWaalsContact O-CA 3.32Å; E328-A387 WeakPolarHBondContact O-CA 3.25Å; E328-T388 PolarHBondContact O-N 3.4Å
329I98.8Very high98.6Very high2 Ų227.4 Ų27.41%0.0113%0.128CC..EExtended strand (participates in β ladder)trans-104.6115.2176.2-55.9179.2000107.4W327 E331 N340 L346 V351 N352 T388W327-I329 HydrophobicContact CB-CG1 4.46Å; I329-E331 PolarHBondContact O-N 2.88Å; I329-E331 VanDerWaalsContact O-N 3.13Å; I329-N340 HydrophobicContact CD1-CB 3.94Å; I329-N340 HydrophobicContact CG2-CB 4.14Å; I329-L346 HydrophobicContact CD1-CD1 3.79Å; I329-V351 HydrophobicContact CB-CG1 4.39Å; I329-V351 HydrophobicContact CD1-CG1 3.97Å; I329-V351 HydrophobicContact CG1-CG1 4.16Å; I329-N352 PolarHBondContact N-OD1 2.87Å; I329-N352 PolarHBondContact O-ND2 3.23Å; I329-N352 PolarHBondContact O-OD1 2.99Å; I329-T388 HydrophobicContact CB-CG2 4.24Å; I329-T388 HydrophobicContact CG1-CG2 3.89Å; I329-T388 HydrophobicContact CG2-CG2 4.13Å
330N98.8Very high98.6Very high2 Ų225.7 Ų25.71%0.01112%0.119CC..  trans-58.5122.5-176-169.762.9000111.8A332 H362 L371 T388 A389N330-A332 PolarHBondContact O-N 3.47Å; N330-H362 PolarHBondContact ND2-CE1 3.35Å; N330-H362 PolarHBondContact ND2-NE2 2.94Å; N330-L371 HydrophobicContact CB-CD1 4.08Å; N330-T388 PolarHBondContact N-O 3.14Å; N330-A389 HydrophobicContact CB-CB 3.65Å
331E98.7Very high98.6Very high1 Ų119 Ų191%0.00510%0.095CC..  trans-84.361.7-177.3-48.8177.5155.600111.1Y192 S196 S261 I329 F333 A337 N352 G356 A357 V358Y192-E331 HydrophobicContact CE1-CG 4.21Å; Y192-E331 VanDerWaalsContact CE1-OE1 3.31Å; Y192-E331 WeakPolarHBondContact CE1-OE1 3.47Å; Y192-E331 PolarHBondContact OH-OE1 3.4Å; S196-E331 PolarHBondContact OG-OE2 3.46Å; S261-E331 WeakPolarHBondContact CB-O 3.36Å; I329-E331 PolarHBondContact O-N 2.88Å; I329-E331 VanDerWaalsContact O-N 3.13Å; E331-F333 PolarHBondContact O-N 2.91Å; E331-A337 HydrophobicContact CG-CB 4.38Å; E331-N352 WeakPolarHBondContact CG-ND2 3.4Å; E331-N352 PolarHBondContact OE1-ND2 3.19Å; E331-G356 VanDerWaalsContact CD-CA 3.41Å; E331-G356 WeakPolarHBondContact OE2-CA 3.48Å; E331-G356 PolarHBondContact OE2-N 3.44Å; E331-A357 HydrophobicContact CB-CB 4.11Å; E331-A357 PolarHBondContact OE2-N 3.43Å; E331-A357 VanDerWaalsContact OE2-N 3.12Å; E331-V358 HydrophobicContact CB-CB 4.35Å; E331-V358 HydrophobicContact CB-CG2 3.75Å; E331-V358 PolarHBondContact OE2-N 3.02Å; E331-V358 VanDerWaalsContact OE2-N 3.08Å
332A98.1Very high98.7Very high5 Ų521.4 Ų21.44%0.04111%0.105CC..SBendtrans-53.4-40.5174.500000110.6S261 N330S261-A332 WeakPolarHBondContact CB-O 3.4Å; S261-A332 PolarHBondContact N-O 3.01Å; S261-A332 PolarHBondContact OG-O 2.86Å; N330-A332 PolarHBondContact O-N 3.47Å
333F98.8Very high98.7Very high16 Ų1619.5 Ų19.57%0.0710%0.099CC..BIsolated β-bridgetrans-142.2154.3166.8-57.2-85000108.6M171 G172 A175 F248 I255 A260 F302 E331 V335 T336 A337M171-F333 HydrophobicContact CB-CE2 4.17Å; M171-F333 HydrophobicContact CB-CZ 4.2Å; G172-F333 VanDerWaalsContact CA-CZ 3.5Å; A175-F333 HydrophobicContact CB-CB 4.4Å; A175-F333 HydrophobicContact CB-CD2 3.56Å; A175-F333 HydrophobicContact CB-CE2 3.95Å; A175-F333 HydrophobicContact CB-CG 3.92Å; F248-F333 AromaticContact CE2-CE1 3.77Å; F248-F333 HydrophobicContact CE2-CE1 3.77Å; F248-F333 AromaticContact CZ-CE1 3.96Å; F248-F333 HydrophobicContact CZ-CE1 3.96Å; F248-F333 HydrophobicContact CZ-CZ 4.43Å; I255-F333 HydrophobicContact CD1-CD1 4.06Å; I255-F333 HydrophobicContact CD1-CG 4.27Å; I255-F333 HydrophobicContact CG2-CD1 3.66Å; I255-F333 HydrophobicContact CG2-CE1 4.04Å; A260-F333 HydrophobicContact CB-CD1 3.52Å; A260-F333 HydrophobicContact CB-CE1 3.72Å; F302-F333 HydrophobicContact CZ-CD2 4.14Å; F302-F333 AromaticContact CZ-CE2 3.91Å; F302-F333 HydrophobicContact CZ-CE2 3.91Å; E331-F333 PolarHBondContact O-N 2.91Å; F333-V335 HydrophobicContact CB-CG1 3.76Å; F333-V335 PolarHBondContact O-N 3.26Å; F333-T336 VanDerWaalsContact O-CB 3.31Å; F333-T336 WeakPolarHBondContact O-CB 3.3Å; F333-T336 PolarHBondContact O-N 3.24Å; F333-A337 PolarHBondContact O-N 2.93Å
334S98.8Very high98.7Very high0 Ų017.6 Ų17.60%09%0.088CC..Hα-helixtrans-53.9-39.3173.6-73.20000111.7Q189 N259 T336 A337 L338Q189-S334 WeakPolarHBondContact O-CB 3.41Å; Q189-S334 PolarHBondContact O-OG 3.36Å; Q189-S334 VanDerWaalsContact O-OG 3.13Å; N259-S334 WeakPolarHBondContact O-CB 3.07Å; N259-S334 PolarHBondContact O-N 2.88Å; N259-S334 PolarHBondContact O-OG 2.98Å; N259-S334 VanDerWaalsContact O-OG 3.13Å; S334-T336 VanDerWaalsContact C-N 3.28Å; S334-T336 PolarHBondContact O-N 3.41Å; S334-A337 PolarHBondContact O-N 3.2Å; S334-L338 WeakPolarHBondContact O-CG 3.46Å; S334-L338 PolarHBondContact O-N 3.3Å
335V98.7Very high98.7Very high0 Ų019.7 Ų19.70%011%0.11CC..Hα-helixtrans-59.4-37.1175.864.60000112.6A175 T178 A179 I184 Q189 I255 F333 A337 L338 A339A175-V335 HydrophobicContact CB-CG1 3.87Å; T178-V335 HydrophobicContact CG2-CG2 4.05Å; A179-V335 HydrophobicContact CB-CG2 3.78Å; I184-V335 HydrophobicContact CB-CG2 4.21Å; I184-V335 HydrophobicContact CD1-CG2 3.79Å; I184-V335 HydrophobicContact CG2-CG2 4.21Å; Q189-V335 HydrophobicContact CG-CB 4.23Å; I255-V335 HydrophobicContact CD1-CG1 4.07Å; F333-V335 HydrophobicContact CB-CG1 3.76Å; F333-V335 PolarHBondContact O-N 3.26Å; V335-A337 PolarHBondContact O-N 3.18Å; V335-L338 PolarHBondContact O-N 3.1Å; V335-A339 WeakPolarHBondContact O-CB 3.37Å; V335-A339 PolarHBondContact O-N 2.86Å
336T98.6Very high98.7Very high1 Ų118.5 Ų18.51%0.00610%0.102CC..Hα-helixtrans-61.8-46.7178-60.20000110.6S303 F333 S334 N340S303-T336 PolarHBondContact OG-OG1 3.34Å; F333-T336 VanDerWaalsContact O-CB 3.31Å; F333-T336 WeakPolarHBondContact O-CB 3.3Å; F333-T336 PolarHBondContact O-N 3.24Å; S334-T336 VanDerWaalsContact C-N 3.28Å; S334-T336 PolarHBondContact O-N 3.41Å; T336-N340 PolarHBondContact O-N 3.35Å; T336-N340 PolarHBondContact O-ND2 3.17Å
337A98.7Very high98.6Very high0 Ų021.2 Ų21.20%012%0.116CC..Hα-helixtrans-64.3-48.1177.100000111.5Y192 E331 F333 S334 V335 A339 N340 I341Y192-A337 HydrophobicContact CE1-CB 3.78Å; Y192-A337 HydrophobicContact CE2-CB 3.95Å; Y192-A337 VanDerWaalsContact CZ-CB 3.42Å; Y192-A337 WeakPolarHBondContact OH-CB 3.37Å; E331-A337 HydrophobicContact CG-CB 4.38Å; F333-A337 PolarHBondContact O-N 2.93Å; S334-A337 PolarHBondContact O-N 3.2Å; V335-A337 PolarHBondContact O-N 3.18Å; A337-A339 PolarHBondContact O-N 3.02Å; A337-N340 PolarHBondContact O-N 2.93Å; A337-I341 VanDerWaalsContact O-CG1 3.27Å; A337-I341 WeakPolarHBondContact O-CG1 3.33Å; A337-I341 PolarHBondContact O-N 2.94Å
338L98.8Very high98.6Very high36 Ų3624.2 Ų24.219%0.18814%0.136CC..Hα-helixtrans-60.8-42179.8-71.9170.3000112.9I184 D188 Q189 Y192 S334 V335 I341 K342I184-L338 HydrophobicContact CD1-CB 4.06Å; I184-L338 HydrophobicContact CG2-CB 4.12Å; I184-L338 HydrophobicContact CG2-CD1 3.66Å; D188-L338 HydrophobicContact CB-CD1 4.16Å; Q189-L338 HydrophobicContact CG-CD1 4.1Å; Y192-L338 HydrophobicContact CD2-CD2 3.7Å; Y192-L338 HydrophobicContact CD2-CG 3.98Å; Y192-L338 HydrophobicContact CG-CD1 4.44Å; Y192-L338 HydrophobicContact CG-CD2 4.18Å; Y192-L338 HydrophobicContact CG-CG 4.09Å; S334-L338 WeakPolarHBondContact O-CG 3.46Å; S334-L338 PolarHBondContact O-N 3.3Å; V335-L338 PolarHBondContact O-N 3.1Å; L338-I341 PolarHBondContact O-N 2.79Å; L338-K342 WeakPolarHBondContact O-CB 3.22Å; L338-K342 PolarHBondContact O-N 3.16Å
339A98.7Very high98.5Very high0 Ų030.2 Ų30.20%016%0.164CC..Hα-helixtrans-62.6-44.4177.400000111.3T178 I184 I304 V335 A337 K342 L343T178-A339 HydrophobicContact CG2-CB 3.75Å; I184-A339 HydrophobicContact CD1-CB 3.76Å; I304-A339 HydrophobicContact CG2-CB 4.34Å; V335-A339 WeakPolarHBondContact O-CB 3.37Å; V335-A339 PolarHBondContact O-N 2.86Å; A337-A339 PolarHBondContact O-N 3.02Å; A339-K342 PolarHBondContact O-N 3.21Å; A339-L343 WeakPolarHBondContact O-CB 3.42Å; A339-L343 VanDerWaalsContact O-CG 3.27Å; A339-L343 WeakPolarHBondContact O-CG 3.38Å; A339-L343 PolarHBondContact O-N 3.34Å
340N98.8Very high98.5Very high0 Ų034 Ų340%018%0.181CC..Hα-helixtrans-67-42.4178.1-78.7-87.1000112.2S303 P306 V307 I329 T336 A337 K342 L343 L344S303-N340 PolarHBondContact O-ND2 2.97Å; P306-N340 WeakPolarHBondContact CB-OD1 3.29Å; V307-N340 VanDerWaalsContact CG2-OD1 3.22Å; V307-N340 WeakPolarHBondContact CG2-OD1 3.36Å; V307-N340 PolarHBondContact N-OD1 2.99Å; I329-N340 HydrophobicContact CD1-CB 3.94Å; I329-N340 HydrophobicContact CG2-CB 4.14Å; T336-N340 PolarHBondContact O-N 3.35Å; T336-N340 PolarHBondContact O-ND2 3.17Å; A337-N340 PolarHBondContact O-N 2.93Å; N340-K342 VanDerWaalsContact C-N 3.3Å; N340-K342 PolarHBondContact O-N 2.92Å; N340-L343 PolarHBondContact O-N 3.35Å; N340-L344 VanDerWaalsContact O-CB 3.3Å; N340-L344 WeakPolarHBondContact O-CB 3.47Å; N340-L344 PolarHBondContact O-N 2.88Å
341I98.7Very high98.5Very high19 Ų1933.9 Ų33.910%0.09718%0.18CC..Hα-helixtrans-55.2-47.9173.7-70.3166.8000110.4Y192 A337 L338 G345 L346 P348 V351Y192-I341 HydrophobicContact CE2-CD1 4.01Å; A337-I341 VanDerWaalsContact O-CG1 3.27Å; A337-I341 WeakPolarHBondContact O-CG1 3.33Å; A337-I341 PolarHBondContact O-N 2.94Å; L338-I341 PolarHBondContact O-N 2.79Å; I341-G345 WeakPolarHBondContact O-CA 3.49Å; I341-G345 PolarHBondContact O-N 3.44Å; I341-L346 PolarHBondContact O-N 2.98Å; I341-P348 HydrophobicContact CG2-CG 4Å; I341-V351 HydrophobicContact CD1-CB 4.27Å; I341-V351 HydrophobicContact CD1-CG1 4.06Å; I341-V351 HydrophobicContact CD1-CG2 4.47Å; I341-V351 HydrophobicContact CG1-CB 4.36Å; I341-V351 HydrophobicContact CG1-CG1 4.15Å; I341-V351 HydrophobicContact CG1-CG2 4.07Å
342K98.6Very high98.6Very high125 Ų12533.9 Ų33.954%0.54318%0.181SC..Hα-helixtrans-65.3-50.7-179.4-179.9175.3177.4173.60112.3H182 L338 A339 N340 G345H182-K342 PolarHBondContact O-NZ 3.04Å; L338-K342 WeakPolarHBondContact O-CB 3.22Å; L338-K342 PolarHBondContact O-N 3.16Å; A339-K342 PolarHBondContact O-N 3.21Å; N340-K342 VanDerWaalsContact C-N 3.3Å; N340-K342 PolarHBondContact O-N 2.92Å; K342-G345 PolarHBondContact O-N 3.14Å
343L98.4Very high98.6Very high73 Ų7335.9 Ų35.938%0.38219%0.19SC..Hα-helixtrans-71.4-37.3-173-71172000112.9I304 V307 A339 N340 G345I304-L343 HydrophobicContact CB-CD1 4.09Å; I304-L343 HydrophobicContact CG2-CD1 3.67Å; V307-L343 HydrophobicContact CG1-CB 4.38Å; V307-L343 HydrophobicContact CG2-CB 3.81Å; V307-L343 HydrophobicContact CG2-CD1 3.9Å; A339-L343 WeakPolarHBondContact O-CB 3.42Å; A339-L343 VanDerWaalsContact O-CG 3.27Å; A339-L343 WeakPolarHBondContact O-CG 3.38Å; A339-L343 PolarHBondContact O-N 3.34Å; N340-L343 PolarHBondContact O-N 3.35Å; L343-G345 VanDerWaalsContact C-N 3.3Å
344L98.3Very high98.6Very high17 Ų1736.7 Ų36.79%0.08919%0.194CC..Hα-helixtrans-81.6-13.2174.9-69.1165.7000112.2V307 V310 E311 K321 N340 L346V307-L344 HydrophobicContact CB-CD2 4.43Å; V307-L344 HydrophobicContact CB-CG 4.44Å; V307-L344 HydrophobicContact CG1-CD2 3.78Å; V307-L344 HydrophobicContact CG1-CG 4.08Å; V307-L344 HydrophobicContact CG2-CG 4.27Å; V310-L344 HydrophobicContact CB-CD1 4.13Å; V310-L344 HydrophobicContact CB-CD2 4.24Å; V310-L344 HydrophobicContact CG1-CD1 3.97Å; V310-L344 HydrophobicContact CG1-CD2 3.9Å; V310-L344 HydrophobicContact CG2-CD1 4.1Å; E311-L344 HydrophobicContact CG-CD2 4.28Å; K321-L344 VanDerWaalsContact CD-O 3.27Å; K321-L344 WeakPolarHBondContact CD-O 3.39Å; K321-L344 PolarHBondContact NZ-O 3.26Å; N340-L344 VanDerWaalsContact O-CB 3.3Å; N340-L344 WeakPolarHBondContact O-CB 3.47Å; N340-L344 PolarHBondContact O-N 2.88Å; L344-L346 HydrophobicContact CB-CD1 4.11Å; L344-L346 HydrophobicContact CB-CD2 3.83Å; L344-L346 HydrophobicContact CB-CG 3.65Å; L344-L346 HydrophobicContact CD1-CD1 4.03Å; L344-L346 HydrophobicContact CD1-CG 4.48Å
345G98.3Very high98.6Very high44 Ų4436.7 Ų36.745%0.45419%0.194SC..THydrogen-bonded Turntrans5954.6-175.100000111.3K321 I341 K342 L343K321-G345 PolarHBondContact NZ-O 3.16Å; I341-G345 WeakPolarHBondContact O-CA 3.49Å; I341-G345 PolarHBondContact O-N 3.44Å; K342-G345 PolarHBondContact O-N 3.14Å; L343-G345 VanDerWaalsContact C-N 3.3Å
346L98.5Very high98.6Very high18 Ų1836.7 Ų36.79%0.09419%0.194CC..  trans-90.1155.6-179.6-56.4-179.5000111.4K321 W327 I329 I341 L344 P348 V351K321-L346 HydrophobicContact CB-CD2 4.42Å; K321-L346 HydrophobicContact CD-CD2 4.41Å; W327-L346 HydrophobicContact CD2-CD1 3.9Å; W327-L346 HydrophobicContact CD2-CD2 4.23Å; W327-L346 HydrophobicContact CE3-CD1 4.05Å; W327-L346 HydrophobicContact CG-CD1 4.2Å; W327-L346 HydrophobicContact CH2-CD2 3.89Å; W327-L346 HydrophobicContact CZ2-CD2 3.51Å; W327-L346 HydrophobicContact CZ3-CD1 4.48Å; W327-L346 HydrophobicContact CZ3-CD2 4.39Å; I329-L346 HydrophobicContact CD1-CD1 3.79Å; I341-L346 PolarHBondContact O-N 2.98Å; L344-L346 HydrophobicContact CB-CD1 4.11Å; L344-L346 HydrophobicContact CB-CD2 3.83Å; L344-L346 HydrophobicContact CB-CG 3.65Å; L344-L346 HydrophobicContact CD1-CD1 4.03Å; L344-L346 HydrophobicContact CD1-CG 4.48Å; L346-P348 WeakPolarHBondContact O-CD 3.49Å; L346-V351 HydrophobicContact CB-CG2 4.19Å; L346-V351 HydrophobicContact CD1-CG2 4.07Å
347D98.2Very high98.6Very high78 Ų7836.7 Ų36.742%0.41719%0.194SC..  trans-73.9115.5166.7-179.9-1.3000110E349 K350D347-E349 PolarHBondContact O-N 3.44Å; D347-E349 VanDerWaalsContact O-N 3.15Å; D347-E349 PolarHBondContact OD1-N 3.01Å; D347-K350 HydrophobicContact CB-CB 4.48Å; D347-K350 HydrophobicContact CB-CD 4.14Å; D347-K350 HydrophobicContact CB-CG 4.19Å; D347-K350 PolarHBondContact O-N 2.91Å
348P98Very high98.6Very high68 Ų6836.7 Ų36.744%0.44219%0.194SC..G310 helixtrans-61-21.6180-20.332.2000114.3R199 I341 L346 K350R199-P348 PolarHBondContact NH2-O 2.92Å; R199-P348 VanDerWaalsContact NH2-O 3.13Å; I341-P348 HydrophobicContact CG2-CG 4Å; L346-P348 WeakPolarHBondContact O-CD 3.49Å; P348-K350 PolarHBondContact O-N 2.94Å
349E98.2Very high98.6Very high129 Ų12935 Ų3560%0.60319%0.185SC*.G310 helixtrans-77.1-8.4177.2-63.8-53.5143.300113.2R199 D347 I353R199-E349 IonicContact NH2-OE2 3.72Å; R199-E349 PolarHBondContact NH2-OE2 3.37Å; D347-E349 PolarHBondContact O-N 3.44Å; D347-E349 VanDerWaalsContact O-N 3.15Å; D347-E349 PolarHBondContact OD1-N 3.01Å; E349-I353 WeakPolarHBondContact O-CG2 3.36Å
350K98.7Very high98.6Very high81 Ų8135 Ų3535%0.35219%0.185SC..G310 helixtrans-105-1.6176-63.6-177.5177.8-172.30113.9T325 W327 D347 P348T325-K350 WeakPolarHBondContact O-CD 3.33Å; W327-K350 PolarHBondContact N-O 3.26Å; D347-K350 HydrophobicContact CB-CB 4.48Å; D347-K350 HydrophobicContact CB-CD 4.14Å; D347-K350 HydrophobicContact CB-CG 4.19Å; D347-K350 PolarHBondContact O-N 2.91Å; P348-K350 PolarHBondContact O-N 2.94Å
351V98.9Very high98.6Very high1 Ų135 Ų351%0.00619%0.185CC..BIsolated β-bridgetrans-106.3125.7-175.2179.80000109.8R199 W327 I329 I341 L346 I353R199-V351 PolarHBondContact NH1-O 2.82Å; W327-V351 HydrophobicContact CB-CB 4.34Å; W327-V351 HydrophobicContact CB-CG1 4.48Å; W327-V351 HydrophobicContact CB-CG2 3.83Å; W327-V351 HydrophobicContact CG-CG2 4.16Å; W327-V351 CarbonylContact O-C 3.52Å; W327-V351 WeakPolarHBondContact O-CA 3.28Å; I329-V351 HydrophobicContact CB-CG1 4.39Å; I329-V351 HydrophobicContact CD1-CG1 3.97Å; I329-V351 HydrophobicContact CG1-CG1 4.16Å; I341-V351 HydrophobicContact CD1-CB 4.27Å; I341-V351 HydrophobicContact CD1-CG1 4.06Å; I341-V351 HydrophobicContact CD1-CG2 4.47Å; I341-V351 HydrophobicContact CG1-CB 4.36Å; I341-V351 HydrophobicContact CG1-CG1 4.15Å; I341-V351 HydrophobicContact CG1-CG2 4.07Å; L346-V351 HydrophobicContact CB-CG2 4.19Å; L346-V351 HydrophobicContact CD1-CG2 4.07Å; V351-I353 VanDerWaalsContact C-N 3.32Å; V351-I353 PolarHBondContact O-N 3.46Å
352N98.9Very high98.6Very high1 Ų134.5 Ų34.51%0.00518%0.182CC..SBendtrans47.652.3177-57.6-13000112.3Y192 R199 W327 E328 I329 E331 H354 G355Y192-N352 PolarHBondContact OH-ND2 3Å; Y192-N352 VanDerWaalsContact OH-ND2 3.11Å; R199-N352 WeakPolarHBondContact CD-O 3.5Å; R199-N352 PolarHBondContact NH1-O 2.85Å; W327-N352 PolarHBondContact O-N 2.84Å; W327-N352 PolarHBondContact O-OD1 2.76Å; E328-N352 VanDerWaalsContact CA-OD1 3.31Å; E328-N352 WeakPolarHBondContact CA-OD1 3.46Å; I329-N352 PolarHBondContact N-OD1 2.87Å; I329-N352 PolarHBondContact O-ND2 3.23Å; I329-N352 PolarHBondContact O-OD1 2.99Å; E331-N352 WeakPolarHBondContact CG-ND2 3.4Å; E331-N352 PolarHBondContact OE1-ND2 3.19Å; N352-H354 PolarHBondContact O-N 3.05Å; N352-H354 VanDerWaalsContact O-N 3.14Å; N352-G355 PolarHBondContact O-N 2.81Å
353I98.7Very high98.6Very high47 Ų4728.5 Ų28.524%0.24116%0.156CC..THydrogen-bonded Turntrans-65.9-19-169.363.2160.5000113.6R199 L326 E349 V351R199-I353 WeakPolarHBondContact CD-O 3.46Å; L326-I353 HydrophobicContact CD1-CD1 3.96Å; L326-I353 HydrophobicContact CD2-CD1 3.69Å; L326-I353 HydrophobicContact CD2-CG1 4.25Å; L326-I353 HydrophobicContact CD2-CG2 4.1Å; E349-I353 WeakPolarHBondContact O-CG2 3.36Å; V351-I353 VanDerWaalsContact C-N 3.32Å; V351-I353 PolarHBondContact O-N 3.46Å
354H98.8Very high98.6Very high32 Ų3225.1 Ų25.115%0.14814%0.138CC..THydrogen-bonded Turntrans-110.220175.5-58.4128.9000112.5S200 A203 F209 N352 H374S200-H354 WeakPolarHBondContact CA-O 3.32Å; S200-H354 PolarHBondContact N-O 3.16Å; S200-H354 PolarHBondContact OG-O 2.99Å; A203-H354 HydrophobicContact CB-CB 3.69Å; F209-H354 HydrophobicContact CE1-CB 4.15Å; F209-H354 HydrophobicContact CZ-CB 3.99Å; N352-H354 PolarHBondContact O-N 3.05Å; N352-H354 VanDerWaalsContact O-N 3.14Å; H354-H374 WeakPolarHBondContact CB-NE2 3.32Å; H354-H374 AromaticContact CG-CE1 3.9Å; H354-H374 AromaticContact CG-NE2 3.54Å; H354-H374 AromaticContact ND1-CE1 3.32Å; H354-H374 PolarHBondContact ND1-CE1 2.76Å; H354-H374 VanDerWaalsContact ND1-CE1 3.32Å; H354-H374 AromaticContact ND1-NE2 2.88Å; H354-H374 PolarHBondContact ND1-NE2 3.08Å
355G98.7Very high98.6Very high1 Ų124.3 Ų24.31%0.0113%0.134CC..  trans76172.1-175.700000112.3S200 N352S200-G355 WeakPolarHBondContact OG-CA 3.32Å; N352-G355 PolarHBondContact O-N 2.81Å
356G98.7Very high98.6Very high0 Ų022.2 Ų22.20%011%0.113CC..  trans-142.9-151.2-17600000113.5S196 E331 V358 S359 L360S196-G356 PolarHBondContact OG-N 3Å; S196-G356 VanDerWaalsContact OG-N 3.08Å; E331-G356 VanDerWaalsContact CD-CA 3.41Å; E331-G356 WeakPolarHBondContact OE2-CA 3.48Å; E331-G356 PolarHBondContact OE2-N 3.44Å; G356-V358 PolarHBondContact O-N 3.37Å; G356-S359 PolarHBondContact O-N 3.48Å; G356-S359 VanDerWaalsContact O-N 3.14Å; G356-S359 PolarHBondContact O-OG 2.81Å; G356-L360 VanDerWaalsContact O-CB 3.3Å; G356-L360 WeakPolarHBondContact O-CB 3.17Å; G356-L360 WeakPolarHBondContact O-CG 3.43Å; G356-L360 PolarHBondContact O-N 2.93Å
357A98.8Very high98.6Very high0 Ų021.3 Ų21.30%011%0.108CC..Hα-helixtrans-66.3-19.7-169.100000114.5S261 E331 S359 G361 H362S261-A357 WeakPolarHBondContact CB-O 3.44Å; E331-A357 HydrophobicContact CB-CB 4.11Å; E331-A357 PolarHBondContact OE2-N 3.43Å; E331-A357 VanDerWaalsContact OE2-N 3.12Å; A357-S359 VanDerWaalsContact C-N 3.34Å; A357-G361 WeakPolarHBondContact CA-O 3.31Å; A357-G361 CarbonylContact O-C 3.45Å; A357-G361 WeakPolarHBondContact O-CA 3.4Å; A357-G361 PolarHBondContact O-N 2.98Å; A357-H362 HydrophobicContact CB-CB 4.07Å
358V98.7Very high98.7Very high0 Ų017.6 Ų17.60%09%0.088CC..Hα-helixtrans-66.3-38.7173.3166.30000110.9A193 Y197 E331 G356A193-V358 HydrophobicContact CB-CG1 3.8Å; Y197-V358 HydrophobicContact CE2-CG1 4.1Å; Y197-V358 PolarHBondContact OH-O 2.83Å; E331-V358 HydrophobicContact CB-CB 4.35Å; E331-V358 HydrophobicContact CB-CG2 3.75Å; E331-V358 PolarHBondContact OE2-N 3.02Å; E331-V358 VanDerWaalsContact OE2-N 3.08Å; G356-V358 PolarHBondContact O-N 3.37Å
359S98.7Very high98.7Very high0 Ų014.4 Ų14.40%07%0.067CC..Hα-helixtrans-104.5-31.2-176.149.30000114.5S196 Y197 S200 E232 Y233 G356 A357S196-S359 VanDerWaalsContact C-OG 3.29Å; S196-S359 PolarHBondContact O-OG 3.3Å; S196-S359 PolarHBondContact OG-OG 3.42Å; Y197-S359 VanDerWaalsContact CA-CB 3.47Å; S200-S359 PolarHBondContact OG-OG 2.95Å; E232-S359 CarbonylContact C-O 3.54Å; E232-S359 VanDerWaalsContact C-O 3.29Å; E232-S359 WeakPolarHBondContact CB-O 3.25Å; Y233-S359 WeakPolarHBondContact CA-O 3.49Å; Y233-S359 WeakPolarHBondContact CB-O 3.04Å; Y233-S359 PolarHBondContact N-O 2.9Å; G356-S359 PolarHBondContact O-N 3.48Å; G356-S359 VanDerWaalsContact O-N 3.14Å; G356-S359 PolarHBondContact O-OG 2.81Å; A357-S359 VanDerWaalsContact C-N 3.34Å
360L98.7Very high98.7Very high0 Ų08.3 Ų8.30%04%0.039CC..Hα-helixtrans-91.9-21.4-178.9-60.3173.3000112.7M30 S200 F209 D230 G356M30-L360 WeakPolarHBondContact CB-O 3.34Å; M30-L360 HydrophobicContact CE-CB 3.38Å; M30-L360 HydrophobicContact CE-CD1 4.29Å; M30-L360 HydrophobicContact CE-CG 4.38Å; S200-L360 WeakPolarHBondContact OG-CD2 3.47Å; S200-L360 WeakPolarHBondContact OG-CG 3.44Å; F209-L360 HydrophobicContact CZ-CD1 4.26Å; D230-L360 HydrophobicContact CB-CD2 4.38Å; G356-L360 VanDerWaalsContact O-CB 3.3Å; G356-L360 WeakPolarHBondContact O-CB 3.17Å; G356-L360 WeakPolarHBondContact O-CG 3.43Å; G356-L360 PolarHBondContact O-N 2.93Å
361G98.6Very high98.7Very high0 Ų04.4 Ų4.40%02%0.022CC..  trans103.6164.8-177.300000114.9N264 A357N264-G361 VanDerWaalsContact OD1-C 3.31Å; N264-G361 WeakPolarHBondContact OD1-CA 3.34Å; A357-G361 WeakPolarHBondContact CA-O 3.31Å; A357-G361 CarbonylContact O-C 3.45Å; A357-G361 WeakPolarHBondContact O-CA 3.4Å; A357-G361 PolarHBondContact O-N 2.98Å
362H98.8Very high98.7Very high9 Ų94.4 Ų4.44%0.0422%0.022CC..  trans-130.875.1-174.3-167.429.8000113.8C104 T262 N264 N330 A357 I364 S367C104-H362 PolarHBondContact SG-NE2 3.12Å; C104-H362 VanDerWaalsContact SG-NE2 3.4Å; T262-H362 PolarHBondContact O-N 3.12Å; N264-H362 PolarHBondContact OD1-N 3.47Å; N330-H362 PolarHBondContact ND2-CE1 3.35Å; N330-H362 PolarHBondContact ND2-NE2 2.94Å; A357-H362 HydrophobicContact CB-CB 4.07Å; H362-I364 PolarHBondContact O-N 3.43Å; H362-S367 VanDerWaalsContact CE1-CB 3.46Å; H362-S367 WeakPolarHBondContact CE1-CB 3.4Å; H362-S367 PolarHBondContact CE1-OG 2.99Å; H362-S367 WeakPolarHBondContact ND1-CB 3.25Å; H362-S367 PolarHBondContact ND1-OG 2.97Å
363P98.8Very high98.7Very high0 Ų04.3 Ų4.30%02%0.021CC..  trans-68.8102.21660.214.7000108M30 E132 N264 G365 M366 S367M30-P363 HydrophobicContact CG-CG 3.91Å; M30-P363 HydrophobicContact SD-CG 3.95Å; E132-P363 HydrophobicContact CB-CB 3.78Å; N264-P363 HydrophobicContact CB-CB 4.4Å; N264-P363 HydrophobicContact CB-CG 3.8Å; P363-G365 PolarHBondContact O-N 3.28Å; P363-M366 HydrophobicContact CB-CB 4.15Å; P363-M366 HydrophobicContact CG-SD 4.05Å; P363-M366 PolarHBondContact O-N 3.06Å; P363-S367 WeakPolarHBondContact CD-OG 3.24Å; P363-S367 PolarHBondContact O-N 3.06Å; P363-S367 PolarHBondContact O-OG 2.92Å
364I98.6Very high98.7Very high1 Ų12.2 Ų2.21%0.0051%0.01CC..Hα-helixtrans-58.5-41.3-160.457.1175.1000114.2V72 L73 C104 E132 M134 H362 M366V72-I364 HydrophobicContact CB-CD1 3.7Å; V72-I364 HydrophobicContact CB-CG1 3.92Å; V72-I364 HydrophobicContact CG1-CD1 3.73Å; V72-I364 HydrophobicContact CG1-CG1 4.47Å; V72-I364 HydrophobicContact CG2-CB 4.43Å; V72-I364 HydrophobicContact CG2-CD1 4.01Å; V72-I364 HydrophobicContact CG2-CG1 3.87Å; L73-I364 HydrophobicContact CD1-CD1 4.39Å; L73-I364 HydrophobicContact CG-CD1 4.18Å; C104-I364 WeakPolarHBondContact CA-O 3.32Å; E132-I364 HydrophobicContact CG-CG1 3.87Å; M134-I364 HydrophobicContact CE-CG2 4.28Å; M134-I364 HydrophobicContact SD-CG2 4.31Å; H362-I364 PolarHBondContact O-N 3.43Å; I364-M366 VanDerWaalsContact C-N 3.29Å; I364-M366 PolarHBondContact O-N 3.26Å
365G98.7Very high98.7Very high0 Ų00.7 Ų0.70%00%0.004CC..Hα-helixtrans-69.5-21.217600000115.1G107 G130 E132 P363G107-G365 PolarHBondContact N-O 2.96Å; G130-G365 WeakPolarHBondContact CA-O 3.22Å; E132-G365 WeakPolarHBondContact OE2-CA 3.49Å; E132-G365 PolarHBondContact OE2-N 2.99Å; E132-G365 VanDerWaalsContact OE2-N 3.11Å; P363-G365 PolarHBondContact O-N 3.28Å
366M98.8Very high98.7Very high0 Ų00.7 Ų0.70%00%0.003CC..Hα-helixtrans-98.3-33-174.6170.5-89.7-153.900113.3R27 M30 C268 P363 I364 G368 A369 R370R27-M366 HydrophobicContact CB-CE 4.09Å; M30-M366 HydrophobicContact CG-CE 3.84Å; M30-M366 HydrophobicContact SD-CE 4.03Å; M30-M366 HydrophobicContact SD-SD 4.22Å; C268-M366 HydrophobicContact CB-CE 4.17Å; C268-M366 HydrophobicContact CB-CG 3.74Å; C268-M366 HydrophobicContact CB-SD 4.41Å; P363-M366 HydrophobicContact CB-CB 4.15Å; P363-M366 HydrophobicContact CG-SD 4.05Å; P363-M366 PolarHBondContact O-N 3.06Å; I364-M366 VanDerWaalsContact C-N 3.29Å; I364-M366 PolarHBondContact O-N 3.26Å; M366-G368 VanDerWaalsContact C-N 3.31Å; M366-G368 PolarHBondContact O-N 3.32Å; M366-G368 VanDerWaalsContact O-N 3.17Å; M366-A369 PolarHBondContact O-N 2.76Å; M366-R370 HydrophobicContact CE-CB 4.14Å; M366-R370 HydrophobicContact CE-CG 4.25Å; M366-R370 PolarHBondContact O-N 3.14Å; M366-R370 VanDerWaalsContact O-N 3.16Å; M366-R370 HydrophobicContact SD-CB 3.79Å; M366-R370 HydrophobicContact SD-CG 4.42Å
367S98.6Very high98.7Very high0 Ų03.1 Ų3.10%01%0.014CC..Hα-helixtrans-59-38.6-163.2-65.40000113.6H362 P363 A369 R370 L371H362-S367 VanDerWaalsContact CE1-CB 3.46Å; H362-S367 WeakPolarHBondContact CE1-CB 3.4Å; H362-S367 PolarHBondContact CE1-OG 2.99Å; H362-S367 WeakPolarHBondContact ND1-CB 3.25Å; H362-S367 PolarHBondContact ND1-OG 2.97Å; P363-S367 WeakPolarHBondContact CD-OG 3.24Å; P363-S367 PolarHBondContact O-N 3.06Å; P363-S367 PolarHBondContact O-OG 2.92Å; S367-A369 VanDerWaalsContact C-N 3.34Å; S367-A369 PolarHBondContact O-N 3.04Å; S367-R370 VanDerWaalsContact O-CB 3.3Å; S367-R370 WeakPolarHBondContact O-CB 3.34Å; S367-R370 PolarHBondContact O-N 3.16Å; S367-L371 WeakPolarHBondContact O-CG 3.49Å; S367-L371 PolarHBondContact O-N 2.92Å
368G98.5Very high98.7Very high0 Ų04.6 Ų4.60%02%0.024CC..Hα-helixtrans-57.6-42174.300000114.1L108 M366 L371L108-G368 WeakPolarHBondContact CD2-O 3.49Å; L108-G368 WeakPolarHBondContact CG-O 3.2Å; M366-G368 VanDerWaalsContact C-N 3.31Å; M366-G368 PolarHBondContact O-N 3.32Å; M366-G368 VanDerWaalsContact O-N 3.17Å; G368-L371 PolarHBondContact O-N 3.23Å
369A98.8Very high98.7Very high0 Ų05 Ų50%03%0.025CC..Hα-helixtrans-72.5-30.7177.900000112.3C268 M366 S367 L371 I372 T373C268-A369 HydrophobicContact CB-CB 4.05Å; C268-A369 VanDerWaalsContact SG-C 3.51Å; C268-A369 PolarHBondContact SG-O 3.2Å; M366-A369 PolarHBondContact O-N 2.76Å; S367-A369 VanDerWaalsContact C-N 3.34Å; S367-A369 PolarHBondContact O-N 3.04Å; A369-L371 VanDerWaalsContact C-N 3.3Å; A369-L371 PolarHBondContact O-N 3.25Å; A369-I372 PolarHBondContact O-N 3.2Å; A369-T373 WeakPolarHBondContact O-CB 3.31Å; A369-T373 PolarHBondContact O-N 2.83Å; A369-T373 PolarHBondContact O-OG1 3.44Å; A369-T373 VanDerWaalsContact O-OG1 3.06Å
370R98.8Very high98.7Very high1 Ų19.9 Ų9.90%0.0045%0.052CC..Hα-helixtrans-58-42173.4-174.8-163.466.269.2-3.1111.5M30 E328 M366 S367 I372 T373 H374M30-R370 VanDerWaalsContact CE-CD 3.44Å; E328-R370 IonicContact OE2-CZ 2.6Å; E328-R370 IonicContact OE2-NH1 2.78Å; E328-R370 PolarHBondContact OE2-NH1 2.84Å; E328-R370 IonicContact OE2-NH2 2.78Å; E328-R370 PolarHBondContact OE2-NH2 3.2Å; M366-R370 HydrophobicContact CE-CB 4.14Å; M366-R370 HydrophobicContact CE-CG 4.25Å; M366-R370 PolarHBondContact O-N 3.14Å; M366-R370 VanDerWaalsContact O-N 3.16Å; M366-R370 HydrophobicContact SD-CB 3.79Å; M366-R370 HydrophobicContact SD-CG 4.42Å; S367-R370 VanDerWaalsContact O-CB 3.3Å; S367-R370 WeakPolarHBondContact O-CB 3.34Å; S367-R370 PolarHBondContact O-N 3.16Å; R370-I372 PolarHBondContact O-N 3.25Å; R370-T373 WeakPolarHBondContact O-CB 3.23Å; R370-T373 PolarHBondContact O-N 2.56Å; R370-H374 WeakPolarHBondContact O-CB 3.26Å; R370-H374 PolarHBondContact O-N 2.79Å
371L98.9Very high98.7Very high0 Ų014.1 Ų14.10%08%0.081CC..Hα-helixtrans-57.4-50.3-179.9-53.7-176.5000111.4L108 E328 N330 S367 G368 A369 H374 L375 A387 T388 A389L108-L371 HydrophobicContact CD1-CD1 4.43Å; E328-L371 HydrophobicContact CB-CB 3.8Å; E328-L371 HydrophobicContact CB-CD2 4.1Å; E328-L371 HydrophobicContact CB-CG 4.32Å; E328-L371 HydrophobicContact CG-CB 4.41Å; E328-L371 WeakPolarHBondContact OE2-CD2 3.32Å; N330-L371 HydrophobicContact CB-CD1 4.08Å; S367-L371 WeakPolarHBondContact O-CG 3.49Å; S367-L371 PolarHBondContact O-N 2.92Å; G368-L371 PolarHBondContact O-N 3.23Å; A369-L371 VanDerWaalsContact C-N 3.3Å; A369-L371 PolarHBondContact O-N 3.25Å; L371-H374 PolarHBondContact O-N 3.07Å; L371-L375 WeakPolarHBondContact O-CG 3.34Å; L371-L375 PolarHBondContact O-N 2.65Å; L371-A387 HydrophobicContact CB-CB 3.58Å; L371-A387 HydrophobicContact CD1-CB 4.25Å; L371-T388 VanDerWaalsContact CD1-O 3.31Å; L371-T388 WeakPolarHBondContact CD1-O 3.33Å; L371-A389 HydrophobicContact CD1-CB 4.35Å
372I98.9Very high98.7Very high0 Ų015.8 Ų15.80%010%0.098CC..Hα-helixtrans-64.1-46.1179-56.7168.4000109.8L108 V111 M270 A369 R370 H374 L375 V376 A387 V399 V401L108-I372 HydrophobicContact CD2-CD1 3.55Å; L108-I372 HydrophobicContact CD2-CG1 3.75Å; V111-I372 HydrophobicContact CB-CD1 4.02Å; V111-I372 HydrophobicContact CG1-CD1 3.88Å; V111-I372 HydrophobicContact CG2-CD1 3.98Å; M270-I372 HydrophobicContact CE-CB 4.09Å; M270-I372 HydrophobicContact CE-CG2 3.43Å; M270-I372 VanDerWaalsContact CE-CG2 3.43Å; M270-I372 HydrophobicContact SD-CB 4.08Å; M270-I372 HydrophobicContact SD-CG2 3.93Å; A369-I372 PolarHBondContact O-N 3.2Å; R370-I372 PolarHBondContact O-N 3.25Å; I372-H374 PolarHBondContact O-N 2.53Å; I372-L375 PolarHBondContact O-N 3.3Å; I372-V376 HydrophobicContact CG2-CG1 4.1Å; I372-V376 WeakPolarHBondContact O-CG1 3.07Å; I372-V376 PolarHBondContact O-N 3.13Å; I372-A387 HydrophobicContact CG1-CB 3.91Å; I372-V399 HydrophobicContact CD1-CB 4.04Å; I372-V399 HydrophobicContact CD1-CG1 3.96Å; I372-V399 HydrophobicContact CD1-CG2 4.11Å; I372-V399 HydrophobicContact CG1-CB 4.36Å; I372-V399 HydrophobicContact CG1-CG1 4.39Å; I372-V401 HydrophobicContact CG2-CG1 3.82Å
373T98.9Very high98.7Very high0 Ų017.6 Ų17.60%011%0.107CC..Hα-helixtrans-53.2-45.5177.4-67.30000110.9A25 E212 C268 A369 R370 V376 H377A25-T373 HydrophobicContact CB-CG2 3.82Å; E212-T373 HydrophobicContact CB-CG2 3.92Å; C268-T373 PolarHBondContact SG-OG1 3.12Å; A369-T373 WeakPolarHBondContact O-CB 3.31Å; A369-T373 PolarHBondContact O-N 2.83Å; A369-T373 PolarHBondContact O-OG1 3.44Å; A369-T373 VanDerWaalsContact O-OG1 3.06Å; R370-T373 WeakPolarHBondContact O-CB 3.23Å; R370-T373 PolarHBondContact O-N 2.56Å; T373-V376 WeakPolarHBondContact O-CG2 3.41Å; T373-H377 PolarHBondContact O-CD2 3.38Å; T373-H377 PolarHBondContact O-N 3.26Å
374H98.9Very high98.7Very high2 Ų219.5 Ų19.51%0.00912%0.115CC..Hα-helixtrans-62.8-51.7178.3-168.656.8000112.1F209 E212 E328 H354 R370 L371 I372 V376 H377 V378F209-H374 AromaticContact CD1-CE1 3.91Å; F209-H374 AromaticContact CD1-ND1 3.94Å; F209-H374 AromaticContact CE1-CE1 3.49Å; F209-H374 VanDerWaalsContact CE1-CE1 3.49Å; F209-H374 WeakPolarHBondContact CE1-CE1 3.49Å; F209-H374 AromaticContact CE1-ND1 3.73Å; E212-H374 IonicContact OE1-ND1 3.42Å; E212-H374 WeakPolarHBondContact OE2-CA 2.92Å; E212-H374 IonicContact OE2-CG 3.62Å; E212-H374 IonicContact OE2-ND1 3.47Å; E212-H374 PolarHBondContact OE2-ND1 2.86Å; E328-H374 IonicContact OE1-CD2 2.67Å; E328-H374 PolarHBondContact OE1-CD2 2.52Å; H354-H374 WeakPolarHBondContact CB-NE2 3.32Å; H354-H374 AromaticContact CG-CE1 3.9Å; H354-H374 AromaticContact CG-NE2 3.54Å; H354-H374 AromaticContact ND1-CE1 3.32Å; H354-H374 PolarHBondContact ND1-CE1 2.76Å; H354-H374 VanDerWaalsContact ND1-CE1 3.32Å; H354-H374 AromaticContact ND1-NE2 2.88Å; H354-H374 PolarHBondContact ND1-NE2 3.08Å; R370-H374 WeakPolarHBondContact O-CB 3.26Å; R370-H374 PolarHBondContact O-N 2.79Å; L371-H374 PolarHBondContact O-N 3.07Å; I372-H374 PolarHBondContact O-N 2.53Å; H374-V376 VanDerWaalsContact C-N 3.33Å; H374-V376 PolarHBondContact O-N 3.47Å; H374-H377 PolarHBondContact O-N 2.88Å; H374-V378 WeakPolarHBondContact CE1-CG1 3.41Å; H374-V378 WeakPolarHBondContact O-CG2 3.28Å; H374-V378 PolarHBondContact O-N 2.68Å; H374-V378 VanDerWaalsContact O-N 3.13Å
375L98.9Very high98.7Very high1 Ų119.5 Ų19.51%0.00512%0.115CC..Hα-helixtrans-55-45.8179.8-72.1174.6000112.5L326 E328 L371 I372 H377 V378 L379 A387 V401L326-L375 HydrophobicContact CB-CD2 3.89Å; E328-L375 HydrophobicContact CB-CD1 4.2Å; E328-L375 HydrophobicContact CB-CD2 4.38Å; E328-L375 HydrophobicContact CB-CG 4.17Å; E328-L375 HydrophobicContact CG-CD1 4.38Å; E328-L375 HydrophobicContact CG-CD2 3.86Å; E328-L375 HydrophobicContact CG-CG 3.8Å; L371-L375 WeakPolarHBondContact O-CG 3.34Å; L371-L375 PolarHBondContact O-N 2.65Å; I372-L375 PolarHBondContact O-N 3.3Å; L375-H377 PolarHBondContact O-N 3.22Å; L375-V378 PolarHBondContact O-N 2.83Å; L375-L379 HydrophobicContact CB-CD1 4.13Å; L375-L379 WeakPolarHBondContact O-CB 3.4Å; L375-L379 WeakPolarHBondContact O-CD1 3.06Å; L375-L379 VanDerWaalsContact O-CG 3.23Å; L375-L379 WeakPolarHBondContact O-CG 3.41Å; L375-L379 PolarHBondContact O-N 2.96Å; L375-L379 VanDerWaalsContact O-N 3.07Å; L375-A387 HydrophobicContact CD1-CB 3.76Å; L375-V401 HydrophobicContact CB-CG2 4.03Å; L375-V401 HydrophobicContact CD1-CG2 4.25Å
376V98.7Very high98.7Very high0 Ų019.5 Ų19.50%012%0.115CC..Hα-helixtrans-67.7-16.2-178.3-580000113.3V22 A25 M270 I286 A287 I372 T373 H374 V401 K403V22-V376 HydrophobicContact CG1-CG1 4.49Å; V22-V376 HydrophobicContact CG1-CG2 4.45Å; V22-V376 HydrophobicContact CG2-CG1 4.32Å; A25-V376 HydrophobicContact CB-CG2 3.72Å; M270-V376 HydrophobicContact CE-CG1 4.47Å; M270-V376 HydrophobicContact CE-CG2 4.32Å; I286-V376 HydrophobicContact CD1-CB 4.19Å; I286-V376 HydrophobicContact CD1-CG2 3.9Å; A287-V376 HydrophobicContact CB-CB 4.07Å; A287-V376 HydrophobicContact CB-CG1 3.53Å; I372-V376 HydrophobicContact CG2-CG1 4.1Å; I372-V376 WeakPolarHBondContact O-CG1 3.07Å; I372-V376 PolarHBondContact O-N 3.13Å; T373-V376 WeakPolarHBondContact O-CG2 3.41Å; H374-V376 VanDerWaalsContact C-N 3.33Å; H374-V376 PolarHBondContact O-N 3.47Å; V376-V401 HydrophobicContact CG1-CG2 4.32Å; V376-K403 WeakPolarHBondContact O-CD 3.38Å; V376-K403 PolarHBondContact O-NZ 2.69Å
377H98.7Very high98.7Very high51 Ų5119.5 Ų19.524%0.23612%0.115CC..Hα-helixtrans-92-31.8175.6-75.3-62.1000113.1A25 E212 T373 H374 L375A25-H377 PolarHBondContact O-NE2 3.02Å; E212-H377 VanDerWaalsContact CB-CD2 3.41Å; E212-H377 WeakPolarHBondContact CB-CD2 3.15Å; T373-H377 PolarHBondContact O-CD2 3.38Å; T373-H377 PolarHBondContact O-N 3.26Å; H374-H377 PolarHBondContact O-N 2.88Å; L375-H377 PolarHBondContact O-N 3.22Å
378V98.5Very high98.8Very high32 Ų3219.5 Ų19.519%0.19412%0.115CC..Hα-helixtrans-102.6-18.5-171.3-56.30000115.5I208 L326 H374 L375I208-V378 HydrophobicContact CG2-CG1 3.84Å; L326-V378 HydrophobicContact CD1-CG2 3.75Å; H374-V378 WeakPolarHBondContact CE1-CG1 3.41Å; H374-V378 WeakPolarHBondContact O-CG2 3.28Å; H374-V378 PolarHBondContact O-N 2.68Å; H374-V378 VanDerWaalsContact O-N 3.13Å; L375-V378 PolarHBondContact O-N 2.83Å
379L98.7Very high98.8Very high7 Ų719.5 Ų19.54%0.03712%0.115CC..SBendtrans-68.9147.4173.7-72.2165.5000111.4L326 L375 E383 V401 K403L326-L379 HydrophobicContact CB-CD2 4.01Å; L326-L379 HydrophobicContact CD1-CD2 3.87Å; L326-L379 HydrophobicContact CD1-CG 4.37Å; L326-L379 HydrophobicContact CG-CD2 3.97Å; L375-L379 HydrophobicContact CB-CD1 4.13Å; L375-L379 WeakPolarHBondContact O-CB 3.4Å; L375-L379 WeakPolarHBondContact O-CD1 3.06Å; L375-L379 VanDerWaalsContact O-CG 3.23Å; L375-L379 WeakPolarHBondContact O-CG 3.41Å; L375-L379 PolarHBondContact O-N 2.96Å; L375-L379 VanDerWaalsContact O-N 3.07Å; L379-E383 HydrophobicContact CB-CB 4.42Å; L379-E383 HydrophobicContact CD2-CB 3.86Å; L379-V401 HydrophobicContact CD1-CG2 4.12Å; L379-K403 HydrophobicContact CB-CB 3.68Å; L379-K403 HydrophobicContact CB-CD 4.32Å; L379-K403 HydrophobicContact CB-CG 4.18Å; L379-K403 HydrophobicContact CD1-CB 4.46Å; L379-K403 WeakPolarHBondContact O-CD 3.49Å; L379-K403 WeakPolarHBondContact O-CG 3.29Å
380N98.5Very high98.8Very high104 Ų10419.5 Ų19.556%0.55612%0.115SC*.PPolyproline II helixtrans-84156168.3-54.5-65.1000111.2G382 E383 K403N380-G382 PolarHBondContact O-N 2.96Å; N380-E383 HydrophobicContact CB-CG 4.14Å; N380-E383 WeakPolarHBondContact CB-OE2 3.39Å; N380-E383 PolarHBondContact N-OE2 3.44Å; N380-E383 PolarHBondContact ND2-OE1 3.21Å; N380-E383 PolarHBondContact ND2-OE2 3.42Å; N380-E383 VanDerWaalsContact O-CB 3.28Å; N380-E383 WeakPolarHBondContact O-CB 3.26Å; N380-E383 WeakPolarHBondContact O-CG 3.28Å; N380-E383 PolarHBondContact O-N 3.48Å; N380-K403 VanDerWaalsContact O-CB 3.22Å; N380-K403 WeakPolarHBondContact O-CB 3.42Å; N380-K403 WeakPolarHBondContact O-CG 3.08Å
381S98.5Very high98.7Very high88 Ų8820.1 Ų20.162%0.61512%0.119SC*.THydrogen-bonded Turntrans-51.4131.1178.9175.30000111.6E383 L404S381-E383 VanDerWaalsContact C-N 3.32Å; S381-E383 PolarHBondContact O-N 3.27Å; S381-L404 WeakPolarHBondContact CB-OXT 3.39Å; S381-L404 PolarHBondContact OG-OXT 3.41Å
382G98.5Very high98.7Very high35 Ų3520.8 Ų20.836%0.36113%0.125SC..THydrogen-bonded Turntrans88.3-17.1-178.800000115.3N380 K402 K403N380-G382 PolarHBondContact O-N 2.96Å; G382-K402 WeakPolarHBondContact O-CE 3.33Å; G382-K403 PolarHBondContact N-O 2.98Å
383E98.8Very high98.6Very high48 Ų4822.9 Ų22.922%0.22415%0.148CC..  trans-75.8146.9-178.9-65.5179.4162.200112.5T325 L379 N380 S381 K402 K403T325-E383 HydrophobicContact CG2-CG 4.33Å; L379-E383 HydrophobicContact CB-CB 4.42Å; L379-E383 HydrophobicContact CD2-CB 3.86Å; N380-E383 HydrophobicContact CB-CG 4.14Å; N380-E383 WeakPolarHBondContact CB-OE2 3.39Å; N380-E383 PolarHBondContact N-OE2 3.44Å; N380-E383 PolarHBondContact ND2-OE1 3.21Å; N380-E383 PolarHBondContact ND2-OE2 3.42Å; N380-E383 VanDerWaalsContact O-CB 3.28Å; N380-E383 WeakPolarHBondContact O-CB 3.26Å; N380-E383 WeakPolarHBondContact O-CG 3.28Å; N380-E383 PolarHBondContact O-N 3.48Å; S381-E383 VanDerWaalsContact C-N 3.32Å; S381-E383 PolarHBondContact O-N 3.27Å; E383-K402 WeakPolarHBondContact O-CA 3.33Å; E383-K403 PolarHBondContact O-N 3.08Å
384F98.9Very high98.6Very high40 Ų4022.9 Ų22.918%0.17515%0.148CC..EExtended strand (participates in β ladder)trans-95.1139.5172.5-66-81.4000110.7V290 L319 T325 L326 L400 V401 K402V290-F384 HydrophobicContact CG2-CE1 4.17Å; L319-F384 HydrophobicContact CD1-CD1 3.81Å; L319-F384 HydrophobicContact CD1-CD2 4.19Å; L319-F384 HydrophobicContact CD1-CE1 3.66Å; L319-F384 HydrophobicContact CD1-CE2 4.07Å; L319-F384 HydrophobicContact CD1-CG 4.07Å; L319-F384 HydrophobicContact CD1-CZ 3.8Å; L319-F384 HydrophobicContact CD2-CE2 4.44Å; L319-F384 HydrophobicContact CD2-CZ 4.43Å; T325-F384 WeakPolarHBondContact CB-O 3.32Å; T325-F384 PolarHBondContact N-O 3.37Å; L326-F384 PolarHBondContact N-O 3.28Å; F384-L400 HydrophobicContact CB-CD1 4.17Å; F384-L400 HydrophobicContact CD1-CD1 4.28Å; F384-L400 HydrophobicContact CD1-CD2 4.24Å; F384-L400 HydrophobicContact CD1-CG 4.31Å; F384-V401 WeakPolarHBondContact CA-O 3.32Å; F384-K402 HydrophobicContact CD1-CB 3.83Å; F384-K402 HydrophobicContact CD1-CD 4.47Å; F384-K402 HydrophobicContact CD1-CG 4.13Å; F384-K402 HydrophobicContact CE1-CB 3.82Å; F384-K402 HydrophobicContact CE1-CD 3.81Å; F384-K402 HydrophobicContact CE1-CG 3.95Å; F384-K402 HydrophobicContact CZ-CD 3.9Å; F384-K402 HydrophobicContact CZ-CG 4.36Å
385G98.9Very high98.6Very high0 Ų023.1 Ų23.10%015%0.151CC..EExtended strand (participates in β ladder)trans-131.2146.7166.800000111.3L326 V401L326-G385 WeakPolarHBondContact O-CA 3.27Å; G385-V401 PolarHBondContact N-O 2.62Å; G385-V401 PolarHBondContact O-N 3.15Å
386L98.9Very high98.6Very high0 Ų023.1 Ų23.10%015%0.15CC..EExtended strand (participates in β ladder)trans-121.9119.9-178.1-164.1156000110.4V310 V313 L314 V324 L326 W327 E328 T388 A398 L400V310-L386 HydrophobicContact CG1-CD1 4.11Å; V310-L386 HydrophobicContact CG2-CD2 3.69Å; V313-L386 HydrophobicContact CG1-CD1 4.15Å; L314-L386 HydrophobicContact CD2-CD1 3.93Å; L314-L386 HydrophobicContact CG-CD1 4.06Å; V324-L386 HydrophobicContact CG1-CB 3.94Å; V324-L386 HydrophobicContact CG2-CB 4.46Å; L326-L386 PolarHBondContact O-N 3.07Å; W327-L386 HydrophobicContact CE3-CB 3.89Å; W327-L386 HydrophobicContact CE3-CD2 4.15Å; W327-L386 HydrophobicContact CE3-CG 4.41Å; W327-L386 HydrophobicContact CH2-CD1 4.36Å; W327-L386 HydrophobicContact CZ3-CB 3.94Å; W327-L386 HydrophobicContact CZ3-CD1 3.79Å; W327-L386 HydrophobicContact CZ3-CD2 4.02Å; W327-L386 HydrophobicContact CZ3-CG 4.13Å; E328-L386 PolarHBondContact N-O 3.28Å; L386-T388 HydrophobicContact CD2-CG2 4.41Å; L386-A398 HydrophobicContact CD2-CB 4.32Å; L386-L400 HydrophobicContact CB-CD1 4.19Å; L386-L400 HydrophobicContact CD1-CD1 4.31Å; L386-L400 HydrophobicContact CG-CD1 4.47Å
387A98.9Very high98.6Very high0 Ų023.1 Ų23.10%015%0.15CC..EExtended strand (participates in β ladder)trans-99.4133.9173.700000110.2L108 E328 L371 I372 L375 A398 V399L108-A387 HydrophobicContact CD2-CB 4.15Å; E328-A387 HydrophobicContact CB-CB 4.45Å; E328-A387 CarbonylContact O-C 3.55Å; E328-A387 VanDerWaalsContact O-CA 3.32Å; E328-A387 WeakPolarHBondContact O-CA 3.25Å; L371-A387 HydrophobicContact CB-CB 3.58Å; L371-A387 HydrophobicContact CD1-CB 4.25Å; I372-A387 HydrophobicContact CG1-CB 3.91Å; L375-A387 HydrophobicContact CD1-CB 3.76Å; A387-A398 CarbonylContact O-C 3.53Å; A387-A398 VanDerWaalsContact O-CA 3.28Å; A387-A398 WeakPolarHBondContact O-CA 3.4Å; A387-V399 PolarHBondContact N-O 3.25Å; A387-V399 PolarHBondContact O-N 2.71Å
388T98.9Very high98.6Very high0 Ų020.7 Ų20.70%014%0.139CC..EExtended strand (participates in β ladder)trans-147.2143.7176.6-168.40000112.2P306 V310 E328 I329 N330 L371 L386 S397P306-T388 HydrophobicContact CB-CG2 3.96Å; P306-T388 WeakPolarHBondContact CB-OG1 3.21Å; V310-T388 HydrophobicContact CG2-CG2 3.93Å; E328-T388 PolarHBondContact O-N 3.4Å; I329-T388 HydrophobicContact CB-CG2 4.24Å; I329-T388 HydrophobicContact CG1-CG2 3.89Å; I329-T388 HydrophobicContact CG2-CG2 4.13Å; N330-T388 PolarHBondContact N-O 3.14Å; L371-T388 VanDerWaalsContact CD1-O 3.31Å; L371-T388 WeakPolarHBondContact CD1-O 3.33Å; L386-T388 HydrophobicContact CD2-CG2 4.41Å; T388-S397 WeakPolarHBondContact CA-O 3.18Å; T388-S397 PolarHBondContact OG1-O 3.45Å; T388-S397 VanDerWaalsContact OG1-O 3.12Å
389A98.7Very high98.6Very high0 Ų019.1 Ų19.10%013%0.13CC..EExtended strand (participates in β ladder)trans-140.2136.3175.900000110.8L108 N330 L371 A396 S397L108-A389 HydrophobicContact CD1-CB 3.7Å; N330-A389 HydrophobicContact CB-CB 3.65Å; L371-A389 HydrophobicContact CD1-CB 4.35Å; A389-A396 VanDerWaalsContact O-CA 3.23Å; A389-A396 WeakPolarHBondContact O-CA 3.38Å; A389-A396 WeakPolarHBondContact O-CB 3.37Å; A389-S397 PolarHBondContact N-O 3.23Å; A389-S397 PolarHBondContact O-N 2.98Å
390C98.6Very high98.6Very high1 Ų118.8 Ų18.81%0.00713%0.128CC..EExtended strand (participates in β ladder)trans-69.7164.1163.561.60000110.4C104 F302 P306 G395C104-C390 VanDerWaalsContact CB-O 3.26Å; C104-C390 WeakPolarHBondContact CB-O 3.38Å; F302-C390 HydrophobicContact CD2-CB 3.83Å; F302-C390 HydrophobicContact CE2-CB 4.45Å; F302-C390 WeakPolarHBondContact O-CB 3.39Å; P306-C390 HydrophobicContact CG-CB 3.78Å; C390-G395 CarbonylContact C-O 3.46Å; C390-G395 WeakPolarHBondContact CA-O 2.91Å
391N98.7Very high98.7Very high13 Ų1313.9 Ų13.97%0.0710%0.102CC..EExtended strand (participates in β ladder)trans-143.8145.5171.571.2-111.8000110.4K102 V103 C104 A105 G394 G395 A396K102-N391 PolarHBondContact NZ-OD1 3.25Å; K102-N391 VanDerWaalsContact O-CB 3.29Å; K102-N391 WeakPolarHBondContact O-CB 3.22Å; V103-N391 HydrophobicContact CB-CB 4.1Å; C104-N391 HydrophobicContact CB-CB 4.43Å; A105-N391 HydrophobicContact CB-CB 3.85Å; N391-G394 PolarHBondContact O-N 3.25Å; N391-G395 PolarHBondContact N-O 3.28Å; N391-G395 PolarHBondContact O-N 3.17Å; N391-G395 WeakPolarHBondContact OD1-CA 3.23Å; N391-G395 PolarHBondContact OD1-O 3.43Å; N391-A396 PolarHBondContact OD1-N 2.89Å
392G97.9Very high98.7Very high14 Ų1413 Ų1314%0.1449%0.087CC..THydrogen-bonded Turntrans-52.4147.1174.600000111.9
393G97.7Very high98.7Very high45 Ų4513 Ų1346%0.4648%0.077SC..THydrogen-bonded Turntrans83.414.6-169.500000114.8
394G97.9Very high98.6Very high0 Ų015 Ų150%09%0.088CC..THydrogen-bonded Turntrans88.111.3169.800000115.8A296 V297 D298 N391A296-G394 CarbonylContact C-O 3.54Å; A296-G394 VanDerWaalsContact CA-O 3.32Å; A296-G394 WeakPolarHBondContact CA-O 3.44Å; V297-G394 WeakPolarHBondContact CG2-O 3.5Å; V297-G394 PolarHBondContact N-O 2.63Å; D298-G394 WeakPolarHBondContact O-CA 3.36Å; N391-G394 PolarHBondContact O-N 3.25Å
395G98.5Very high98.6Very high7 Ų713.7 Ų13.77%0.0728%0.084CC..EExtended strand (participates in β ladder)trans-95.9164.8-17700000114.2N295 C390 N391N295-G395 CarbonylContact O-C 3.58Å; N295-G395 WeakPolarHBondContact O-CA 3.31Å; C390-G395 CarbonylContact C-O 3.46Å; C390-G395 WeakPolarHBondContact CA-O 2.91Å; N391-G395 PolarHBondContact N-O 3.28Å; N391-G395 PolarHBondContact O-N 3.17Å; N391-G395 WeakPolarHBondContact OD1-CA 3.23Å; N391-G395 PolarHBondContact OD1-O 3.43Å
396A98.8Very high98.6Very high0 Ų014.4 Ų14.40%09%0.088CC..EExtended strand (participates in β ladder)trans-145.3162.216200000111.5K102 D294 N295 A305 P306 A309 A389 N391K102-A396 PolarHBondContact NZ-O 3.32Å; D294-A396 WeakPolarHBondContact CA-O 3.31Å; N295-A396 PolarHBondContact N-O 3.29Å; N295-A396 VanDerWaalsContact N-O 3.12Å; N295-A396 PolarHBondContact O-N 2.85Å; A305-A396 VanDerWaalsContact C-CB 3.44Å; A305-A396 HydrophobicContact CB-CB 3.67Å; P306-A396 HydrophobicContact CB-CB 4.22Å; P306-A396 HydrophobicContact CG-CB 3.98Å; A309-A396 HydrophobicContact CB-CB 4.05Å; A389-A396 VanDerWaalsContact O-CA 3.23Å; A389-A396 WeakPolarHBondContact O-CA 3.38Å; A389-A396 WeakPolarHBondContact O-CB 3.37Å; N391-A396 PolarHBondContact OD1-N 2.89Å
397S98.9Very high98.6Very high0 Ų015.2 Ų15.20%09%0.093CC..EExtended strand (participates in β ladder)trans-132.9142.8169.3-58.70000109.2K102 A105 L108 G293 D294 T388 A389K102-S397 PolarHBondContact NZ-OG 2.88Å; A105-S397 WeakPolarHBondContact CB-OG 3.13Å; L108-S397 WeakPolarHBondContact CD1-O 3.12Å; G293-S397 WeakPolarHBondContact O-CA 3.44Å; D294-S397 WeakPolarHBondContact OD1-CB 3.36Å; D294-S397 PolarHBondContact OD1-OG 3.31Å; T388-S397 WeakPolarHBondContact CA-O 3.18Å; T388-S397 PolarHBondContact OG1-O 3.45Å; T388-S397 VanDerWaalsContact OG1-O 3.12Å; A389-S397 PolarHBondContact N-O 3.23Å; A389-S397 PolarHBondContact O-N 2.98Å
398A98.9Very high98.6Very high0 Ų016.1 Ų16.10%010%0.099CC..EExtended strand (participates in β ladder)trans-132.2144.317600000110.9F292 G293 A309 V313 L386 A387F292-A398 CarbonylContact C-O 3.58Å; F292-A398 VanDerWaalsContact CA-O 3.23Å; F292-A398 WeakPolarHBondContact CA-O 3.19Å; F292-A398 WeakPolarHBondContact CB-O 3.28Å; G293-A398 PolarHBondContact N-O 2.95Å; G293-A398 PolarHBondContact O-N 3.17Å; A309-A398 HydrophobicContact CB-CB 3.9Å; V313-A398 HydrophobicContact CB-CB 4.32Å; V313-A398 HydrophobicContact CG2-CB 3.73Å; L386-A398 HydrophobicContact CD2-CB 4.32Å; A387-A398 CarbonylContact O-C 3.53Å; A387-A398 VanDerWaalsContact O-CA 3.28Å; A387-A398 WeakPolarHBondContact O-CA 3.4Å
399V98.9Very high98.6Very high0 Ų017.1 Ų17.10%011%0.105CC..EExtended strand (participates in β ladder)trans-136.4124.5177.9178.40000109L108 M112 V289 F292 I372 A387 V401L108-V399 HydrophobicContact CD2-CB 4.03Å; L108-V399 HydrophobicContact CD2-CG2 3.66Å; M112-V399 HydrophobicContact CG-CG2 3.76Å; M112-V399 HydrophobicContact SD-CG2 4.28Å; V289-V399 HydrophobicContact CG1-CG1 3.97Å; F292-V399 HydrophobicContact CB-CB 4.44Å; F292-V399 HydrophobicContact CB-CG2 3.91Å; I372-V399 HydrophobicContact CD1-CB 4.04Å; I372-V399 HydrophobicContact CD1-CG1 3.96Å; I372-V399 HydrophobicContact CD1-CG2 4.11Å; I372-V399 HydrophobicContact CG1-CB 4.36Å; I372-V399 HydrophobicContact CG1-CG1 4.39Å; A387-V399 PolarHBondContact N-O 3.25Å; A387-V399 PolarHBondContact O-N 2.71Å; V399-V401 HydrophobicContact CG1-CG1 4.17Å
400L98.9Very high98.6Very high0 Ų018.3 Ų18.30%011%0.112CC..EExtended strand (participates in β ladder)trans-94.9127.1171.718075.3000109.3V290 S291 V313 A317 L319 V324 F384 L386V290-L400 HydrophobicContact CB-CD2 3.88Å; V290-L400 HydrophobicContact CB-CG 4.17Å; V290-L400 HydrophobicContact CG1-CD2 3.79Å; V290-L400 PolarHBondContact N-O 3.42Å; S291-L400 PolarHBondContact O-N 3.05Å; V313-L400 HydrophobicContact CG1-CB 3.65Å; A317-L400 HydrophobicContact CB-CD2 3.55Å; L319-L400 HydrophobicContact CD1-CD2 3.69Å; V324-L400 HydrophobicContact CG2-CD1 4.29Å; F384-L400 HydrophobicContact CB-CD1 4.17Å; F384-L400 HydrophobicContact CD1-CD1 4.28Å; F384-L400 HydrophobicContact CD1-CD2 4.24Å; F384-L400 HydrophobicContact CD1-CG 4.31Å; L386-L400 HydrophobicContact CB-CD1 4.19Å; L386-L400 HydrophobicContact CD1-CD1 4.31Å; L386-L400 HydrophobicContact CG-CD1 4.47Å
401V98.9Very high98.5Very high1 Ų119.5 Ų19.51%0.00612%0.12CC..EExtended strand (participates in β ladder)trans-117.6151.4172.5-64.50000111E288 V289 I372 L375 V376 L379 F384 G385 V399E288-V401 CarbonylContact O-C 3.6Å; E288-V401 VanDerWaalsContact O-CA 3.23Å; E288-V401 WeakPolarHBondContact O-CA 3.23Å; V289-V401 HydrophobicContact CG2-CG1 4.49Å; I372-V401 HydrophobicContact CG2-CG1 3.82Å; L375-V401 HydrophobicContact CB-CG2 4.03Å; L375-V401 HydrophobicContact CD1-CG2 4.25Å; V376-V401 HydrophobicContact CG1-CG2 4.32Å; L379-V401 HydrophobicContact CD1-CG2 4.12Å; F384-V401 WeakPolarHBondContact CA-O 3.32Å; G385-V401 PolarHBondContact N-O 2.62Å; G385-V401 PolarHBondContact O-N 3.15Å; V399-V401 HydrophobicContact CG1-CG1 4.17Å
402K98.9Very high98.5Very high69 Ų6920 Ų2030%0.312%0.123SC..EExtended strand (participates in β ladder)trans-119.9125.5169.8-176.5-177.1179.8179.30109A287 E288 V290 G382 E383 F384A287-K402 CarbonylContact C-O 3.54Å; A287-K402 WeakPolarHBondContact CA-O 3.49Å; A287-K402 WeakPolarHBondContact CB-O 3.46Å; E288-K402 PolarHBondContact N-O 3.08Å; E288-K402 PolarHBondContact O-N 2.85Å; V290-K402 HydrophobicContact CG2-CB 3.67Å; G382-K402 WeakPolarHBondContact O-CE 3.33Å; E383-K402 WeakPolarHBondContact O-CA 3.33Å; F384-K402 HydrophobicContact CD1-CB 3.83Å; F384-K402 HydrophobicContact CD1-CD 4.47Å; F384-K402 HydrophobicContact CD1-CG 4.13Å; F384-K402 HydrophobicContact CE1-CB 3.82Å; F384-K402 HydrophobicContact CE1-CD 3.81Å; F384-K402 HydrophobicContact CE1-CG 3.95Å; F384-K402 HydrophobicContact CZ-CD 3.9Å; F384-K402 HydrophobicContact CZ-CG 4.36Å
403K98.8Very high98.6Very high36 Ų3620.5 Ų20.516%0.15712%0.122CC..EExtended strand (participates in β ladder)trans-68.2138.4174.7-176.279.2-166.4-1640110.1I286 V376 L379 N380 G382 E383I286-K403 VanDerWaalsContact O-CD 3.31Å; I286-K403 WeakPolarHBondContact O-CD 3.26Å; I286-K403 WeakPolarHBondContact O-CE 3.44Å; V376-K403 WeakPolarHBondContact O-CD 3.38Å; V376-K403 PolarHBondContact O-NZ 2.69Å; L379-K403 HydrophobicContact CB-CB 3.68Å; L379-K403 HydrophobicContact CB-CD 4.32Å; L379-K403 HydrophobicContact CB-CG 4.18Å; L379-K403 HydrophobicContact CD1-CB 4.46Å; L379-K403 WeakPolarHBondContact O-CD 3.49Å; L379-K403 WeakPolarHBondContact O-CG 3.29Å; N380-K403 VanDerWaalsContact O-CB 3.22Å; N380-K403 WeakPolarHBondContact O-CB 3.42Å; N380-K403 WeakPolarHBondContact O-CG 3.08Å; G382-K403 PolarHBondContact N-O 2.98Å; E383-K403 PolarHBondContact O-N 3.08Å
404L97.9Very high98.7Very high88 Ų8818.3 Ų18.346%0.4619%0.09SC..  trans-92.20175.6-63.1179.6000111.9Y21 P285 I286 E288 S381Y21-L404 HydrophobicContact CD1-CD1 3.81Å; Y21-L404 HydrophobicContact CE1-CD1 4.17Å; P285-L404 HydrophobicContact CB-CD1 3.68Å; P285-L404 HydrophobicContact CG-CD1 3.67Å; I286-L404 PolarHBondContact O-N 3.39Å; I286-L404 VanDerWaalsContact O-N 3.08Å; E288-L404 HydrophobicContact CB-CD2 4.41Å; S381-L404 WeakPolarHBondContact CB-OXT 3.39Å; S381-L404 PolarHBondContact OG-OXT 3.41Å

Retrieved 404 of 404 residues in 485.3 ms (Link to these results)

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