A0A061IKH1_CRIGR Loading...

Glucosamine-6-phosphate isomerase

AlphaFold DB , UniProt , Accession A0A061IKH1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Gnpda2, Length 276 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
1M96.8Very high98.5Very high101 Ų10160.3 Ų60.350%0.49829%0.294SS..  0162.3070.4-179.7-178.800111.3I216 T235 F237 F255M1-I216 HydrophobicContact CE-CB 3.98Å; M1-I216 HydrophobicContact CE-CD1 4Å; M1-I216 HydrophobicContact CE-CG1 4.37Å; M1-I216 HydrophobicContact SD-CB 3.96Å; M1-I216 HydrophobicContact SD-CG2 3.92Å; M1-T235 CarbonylContact C-O 3.22Å; M1-T235 VanDerWaalsContact CA-O 3.23Å; M1-T235 WeakPolarHBondContact CA-O 3.46Å; M1-F237 HydrophobicContact CB-CD2 4.09Å; M1-F237 HydrophobicContact CB-CE2 4.04Å; M1-F237 HydrophobicContact CG-CD2 4.49Å; M1-F237 HydrophobicContact SD-CD2 3.87Å; M1-F237 HydrophobicContact SD-CE2 3.88Å; M1-F255 HydrophobicContact CE-CE2 3.64Å; M1-F255 HydrophobicContact CE-CZ 3.64Å; M1-F255 HydrophobicContact CG-CZ 4.28Å
2R98.6Very high98.6Very high103 Ų10355.3 Ų55.339%0.38927%0.269SS..EExtended strand (participates in β ladder)trans-108.7144.1157.2-64.9177.9-176.8-136.79.5108.4T235 I236 F237 N262 L265R2-T235 PolarHBondContact N-O 3.44Å; R2-I236 HydrophobicContact CB-CB 4.29Å; R2-I236 HydrophobicContact CB-CD1 4.15Å; R2-I236 HydrophobicContact CB-CG1 3.92Å; R2-I236 WeakPolarHBondContact O-CA 3.35Å; R2-F237 PolarHBondContact O-N 2.74Å; R2-N262 PolarHBondContact NH1-OD1 3.15Å; R2-L265 VanDerWaalsContact NH1-CD1 3.34Å
3L98.8Very high98.6Very high0 Ų051.2 Ų51.20%025%0.25CC..EExtended strand (participates in β ladder)trans-122.9123169.9178.167.6000107.8I5 I216 F237 L247 F255L3-I5 HydrophobicContact CD2-CD1 3.97Å; L3-I5 HydrophobicContact CD2-CG1 4.19Å; L3-I5 HydrophobicContact CG-CD1 4.25Å; L3-I5 HydrophobicContact CG-CG1 3.93Å; L3-I216 HydrophobicContact CD2-CD1 4.04Å; L3-F237 CarbonylContact C-O 3.52Å; L3-F237 WeakPolarHBondContact CA-O 3.21Å; L3-F237 HydrophobicContact CD1-CB 3.55Å; L3-L247 HydrophobicContact CD2-CD1 4.1Å; L3-F255 HydrophobicContact CB-CB 4.06Å; L3-F255 HydrophobicContact CB-CD1 3.72Å; L3-F255 HydrophobicContact CB-CD2 3.8Å; L3-F255 HydrophobicContact CB-CE1 4.05Å; L3-F255 HydrophobicContact CB-CE2 4.13Å; L3-F255 HydrophobicContact CB-CG 3.59Å; L3-F255 HydrophobicContact CB-CZ 4.24Å; L3-F255 HydrophobicContact CD2-CB 4.26Å; L3-F255 HydrophobicContact CD2-CD2 3.76Å; L3-F255 HydrophobicContact CD2-CE2 4.37Å; L3-F255 HydrophobicContact CD2-CG 4.13Å; L3-F255 HydrophobicContact CG-CB 4.38Å; L3-F255 HydrophobicContact CG-CD2 4.36Å; L3-F255 HydrophobicContact CG-CG 4.3Å
4V98.9Very high98.6Very high0 Ų051.5 Ų51.50%025%0.25CS..EExtended strand (participates in β ladder)trans-110121.7179-173.10000106.9L6 W15 I236 F237 V238 C239 M259 N262V4-L6 HydrophobicContact CB-CD2 4.25Å; V4-L6 HydrophobicContact CG1-CD1 4.24Å; V4-L6 HydrophobicContact CG1-CD2 3.49Å; V4-L6 VanDerWaalsContact CG1-CD2 3.49Å; V4-W15 HydrophobicContact CG1-CD2 3.8Å; V4-W15 HydrophobicContact CG1-CE3 4.4Å; V4-W15 HydrophobicContact CG1-CG 4.08Å; V4-W15 HydrophobicContact CG1-CZ2 4.11Å; V4-W15 HydrophobicContact CG2-CH2 3.89Å; V4-W15 HydrophobicContact CG2-CZ2 3.77Å; V4-W15 HydrophobicContact CG2-CZ3 4.24Å; V4-I236 HydrophobicContact CG2-CD1 3.74Å; V4-I236 HydrophobicContact CG2-CG1 3.98Å; V4-F237 PolarHBondContact N-O 2.98Å; V4-V238 HydrophobicContact CB-CG2 4.44Å; V4-C239 PolarHBondContact O-N 2.81Å; V4-M259 HydrophobicContact CB-SD 4.34Å; V4-M259 HydrophobicContact CG1-CE 3.62Å; V4-M259 HydrophobicContact CG1-SD 3.72Å; V4-N262 HydrophobicContact CG2-CB 4.25Å
5I98.8Very high98.6Very high8 Ų848.8 Ų48.84%0.04124%0.237CC..EExtended strand (participates in β ladder)trans-117.2118.4-174.5-52.7174.1000107.5L3 C239 T244 V252 F255 K256 M259L3-I5 HydrophobicContact CD2-CD1 3.97Å; L3-I5 HydrophobicContact CD2-CG1 4.19Å; L3-I5 HydrophobicContact CG-CD1 4.25Å; L3-I5 HydrophobicContact CG-CG1 3.93Å; I5-C239 WeakPolarHBondContact CA-O 3.39Å; I5-T244 HydrophobicContact CD1-CG2 4.18Å; I5-T244 HydrophobicContact CG1-CG2 4.24Å; I5-T244 HydrophobicContact CG2-CG2 3.93Å; I5-V252 HydrophobicContact CD1-CB 4.43Å; I5-V252 HydrophobicContact CD1-CG1 3.97Å; I5-F255 HydrophobicContact CD1-CB 4.26Å; I5-K256 HydrophobicContact CB-CG 4.47Å; I5-K256 HydrophobicContact CD1-CG 4.18Å; I5-M259 WeakPolarHBondContact O-CE 3.44Å
6L98.8Very high98.6Very high19 Ų1945.8 Ų45.810%0.09922%0.222CC..EExtended strand (participates in β ladder)trans-116.1157.6-177.5-63.4-48.8000109.8V4 N8 L11 A12 W15 V238 C239 D240 E241 M259V4-L6 HydrophobicContact CB-CD2 4.25Å; V4-L6 HydrophobicContact CG1-CD1 4.24Å; V4-L6 HydrophobicContact CG1-CD2 3.49Å; V4-L6 VanDerWaalsContact CG1-CD2 3.49Å; L6-N8 VanDerWaalsContact C-N 3.27Å; L6-N8 PolarHBondContact O-N 2.84Å; L6-L11 HydrophobicContact CB-CB 3.87Å; L6-L11 HydrophobicContact CG-CB 4.28Å; L6-A12 HydrophobicContact CB-CB 4.27Å; L6-A12 HydrophobicContact CD2-CB 4.24Å; L6-A12 HydrophobicContact CG-CB 4.42Å; L6-W15 HydrophobicContact CD1-CB 4.49Å; L6-W15 HydrophobicContact CD1-CG 4.46Å; L6-W15 HydrophobicContact CD2-CB 4.24Å; L6-W15 HydrophobicContact CD2-CG 4.35Å; L6-W15 HydrophobicContact CG-CB 4.29Å; L6-V238 HydrophobicContact CD2-CG1 3.81Å; L6-C239 WeakPolarHBondContact CD2-O 3.44Å; L6-C239 PolarHBondContact N-O 3.22Å; L6-D240 CarbonylContact O-C 3.52Å; L6-D240 WeakPolarHBondContact O-CA 3.48Å; L6-E241 PolarHBondContact O-N 3.05Å; L6-M259 HydrophobicContact CD1-CE 3.76Å
7D98.6Very high98.7Very high118 Ų11843.1 Ų43.163%0.63121%0.209SC*.SBendtrans-66.3-29-173.1-56.2-26.9000113.3L11D7-L11 HydrophobicContact CB-CD1 3.96Å
8N98.6Very high98.7Very high70 Ų7043.1 Ų43.137%0.37421%0.208SC..SBendtrans-157.1173.4-175.161.955.6000113.3L6 D10 L11 A12L6-N8 VanDerWaalsContact C-N 3.27Å; L6-N8 PolarHBondContact O-N 2.84Å; N8-D10 VanDerWaalsContact C-N 3.33Å; N8-D10 PolarHBondContact O-N 2.92Å; N8-D10 PolarHBondContact OD1-N 3.37Å; N8-L11 PolarHBondContact O-N 3.09Å; N8-L11 PolarHBondContact OD1-N 2.85Å; N8-A12 PolarHBondContact O-N 2.99Å
9Y98.7Very high98.7Very high69 Ų6941.3 Ų41.327%0.27120%0.198SC..Hα-helixtrans-51.6-44.6178171.7-98.6000114.1A12 S13 S43 T44 G47 T204Y9-A12 PolarHBondContact O-N 2.82Å; Y9-S13 WeakPolarHBondContact O-CB 3.16Å; Y9-S13 PolarHBondContact O-N 2.88Å; Y9-S13 PolarHBondContact O-OG 2.72Å; Y9-S43 PolarHBondContact OH-O 3.07Å; Y9-S43 VanDerWaalsContact OH-O 3.05Å; Y9-T44 WeakPolarHBondContact CE2-O 3.41Å; Y9-T44 PolarHBondContact OH-O 3.16Å; Y9-G47 WeakPolarHBondContact OH-CA 3.18Å; Y9-G47 PolarHBondContact OH-N 2.91Å; Y9-T204 HydrophobicContact CD2-CG2 3.82Å
10D98.7Very high98.7Very high111 Ų11139.3 Ų39.359%0.59419%0.189SC*.Hα-helixtrans-68-41.6-175.7-71.2-32.5000110.7N8 S13 E14N8-D10 VanDerWaalsContact C-N 3.33Å; N8-D10 PolarHBondContact O-N 2.92Å; N8-D10 PolarHBondContact OD1-N 3.37Å; D10-S13 PolarHBondContact O-N 2.96Å; D10-E14 WeakPolarHBondContact O-CB 3.27Å; D10-E14 PolarHBondContact O-N 3.47Å
11L98.8Very high98.7Very high64 Ų6437.5 Ų37.534%0.33518%0.18SC..Hα-helixtrans-67.9-40.8175.8-67.8176.8000112L6 D7 N8 S13 E14 W15L6-L11 HydrophobicContact CB-CB 3.87Å; L6-L11 HydrophobicContact CG-CB 4.28Å; D7-L11 HydrophobicContact CB-CD1 3.96Å; N8-L11 PolarHBondContact O-N 3.09Å; N8-L11 PolarHBondContact OD1-N 2.85Å; L11-S13 VanDerWaalsContact C-N 3.35Å; L11-E14 PolarHBondContact O-N 2.95Å; L11-W15 VanDerWaalsContact O-CB 3.29Å; L11-W15 WeakPolarHBondContact O-CB 3.17Å; L11-W15 PolarHBondContact O-N 3.23Å
12A98.8Very high98.8Very high0 Ų032.8 Ų32.80%016%0.157CC..Hα-helixtrans-63-42.8174.700000111.5L6 N8 Y9 W15 A16 L202 T204 V238L6-A12 HydrophobicContact CB-CB 4.27Å; L6-A12 HydrophobicContact CD2-CB 4.24Å; L6-A12 HydrophobicContact CG-CB 4.42Å; N8-A12 PolarHBondContact O-N 2.99Å; Y9-A12 PolarHBondContact O-N 2.82Å; A12-W15 PolarHBondContact O-N 3.44Å; A12-A16 WeakPolarHBondContact O-CB 3.48Å; A12-A16 PolarHBondContact O-N 3.15Å; A12-L202 HydrophobicContact CB-CD1 4.16Å; A12-T204 HydrophobicContact CB-CG2 4.04Å; A12-V238 HydrophobicContact CB-CG1 4.33Å
13S98.9Very high98.8Very high2 Ų228.9 Ų28.91%0.01415%0.145CC..Hα-helixtrans-62.3-45175.4-67.60000112.3Y9 D10 L11 A17Y9-S13 WeakPolarHBondContact O-CB 3.16Å; Y9-S13 PolarHBondContact O-N 2.88Å; Y9-S13 PolarHBondContact O-OG 2.72Å; D10-S13 PolarHBondContact O-N 2.96Å; L11-S13 VanDerWaalsContact C-N 3.35Å; S13-A17 WeakPolarHBondContact O-CB 3.3Å; S13-A17 PolarHBondContact O-N 3.38Å
14E98.9Very high98.8Very high56 Ų5629 Ų2926%0.26215%0.146SC..Hα-helixtrans-66.9-42.2177.6-174.1179.2177.600111.6D10 L11 A16 A17 K18 K51D10-E14 WeakPolarHBondContact O-CB 3.27Å; D10-E14 PolarHBondContact O-N 3.47Å; L11-E14 PolarHBondContact O-N 2.95Å; E14-A16 PolarHBondContact O-N 3.35Å; E14-A17 PolarHBondContact O-N 3.16Å; E14-K18 HydrophobicContact CG-CD 4.27Å; E14-K18 HydrophobicContact CG-CG 4.38Å; E14-K18 WeakPolarHBondContact O-CG 3.4Å; E14-K18 PolarHBondContact O-N 2.65Å; E14-K18 WeakPolarHBondContact OE1-CE 3.43Å; E14-K18 IonicContact OE1-NZ 2.94Å; E14-K18 PolarHBondContact OE1-NZ 3.18Å; E14-K51 HydrophobicContact CB-CG 4.43Å
15W98.9Very high98.8Very high11 Ų1130.2 Ų30.24%0.04215%0.154CC..Hα-helixtrans-59.2-47.7177.1-166.2102.5000111V4 L6 L11 A12 A17 K18 Y19 M200 I236 V238 N263 L265 V266V4-W15 HydrophobicContact CG1-CD2 3.8Å; V4-W15 HydrophobicContact CG1-CE3 4.4Å; V4-W15 HydrophobicContact CG1-CG 4.08Å; V4-W15 HydrophobicContact CG1-CZ2 4.11Å; V4-W15 HydrophobicContact CG2-CH2 3.89Å; V4-W15 HydrophobicContact CG2-CZ2 3.77Å; V4-W15 HydrophobicContact CG2-CZ3 4.24Å; L6-W15 HydrophobicContact CD1-CB 4.49Å; L6-W15 HydrophobicContact CD1-CG 4.46Å; L6-W15 HydrophobicContact CD2-CB 4.24Å; L6-W15 HydrophobicContact CD2-CG 4.35Å; L6-W15 HydrophobicContact CG-CB 4.29Å; L11-W15 VanDerWaalsContact O-CB 3.29Å; L11-W15 WeakPolarHBondContact O-CB 3.17Å; L11-W15 PolarHBondContact O-N 3.23Å; A12-W15 PolarHBondContact O-N 3.44Å; W15-A17 PolarHBondContact O-N 2.79Å; W15-K18 PolarHBondContact O-N 2.69Å; W15-Y19 AromaticContact CH2-CD2 3.93Å; W15-Y19 HydrophobicContact CH2-CD2 3.93Å; W15-Y19 HydrophobicContact CH2-CG 4.02Å; W15-Y19 HydrophobicContact CZ3-CD1 4.41Å; W15-Y19 HydrophobicContact CZ3-CD2 4.27Å; W15-Y19 AromaticContact CZ3-CG 3.87Å; W15-Y19 HydrophobicContact CZ3-CG 3.87Å; W15-Y19 PolarHBondContact O-N 3Å; W15-M200 HydrophobicContact CZ3-SD 4.48Å; W15-I236 HydrophobicContact CH2-CD1 3.26Å; W15-I236 HydrophobicContact CH2-CG1 4.43Å; W15-I236 HydrophobicContact CZ2-CD1 4.24Å; W15-I236 HydrophobicContact CZ3-CD1 3.68Å; W15-I236 HydrophobicContact CZ3-CG1 4.47Å; W15-V238 HydrophobicContact CB-CG1 4.42Å; W15-V238 HydrophobicContact CD2-CG1 4.42Å; W15-V238 HydrophobicContact CE3-CB 4.36Å; W15-V238 HydrophobicContact CE3-CG1 3.89Å; W15-V238 HydrophobicContact CE3-CG2 3.47Å; W15-V238 VanDerWaalsContact CE3-CG2 3.47Å; W15-V238 HydrophobicContact CZ3-CG2 3.5Å; W15-N263 PolarHBondContact NE1-OD1 3.37Å; W15-L265 HydrophobicContact CH2-CB 4.45Å; W15-L265 HydrophobicContact CH2-CD1 4.01Å; W15-L265 HydrophobicContact CZ2-CB 4.27Å; W15-L265 HydrophobicContact CZ2-CD1 4.2Å; W15-V266 HydrophobicContact CD2-CG1 4.04Å; W15-V266 HydrophobicContact CE3-CG1 4.48Å; W15-V266 HydrophobicContact CG-CG1 4.45Å; W15-V266 HydrophobicContact CG-CG2 4.48Å; W15-V266 HydrophobicContact CH2-CG1 4.28Å; W15-V266 HydrophobicContact CZ2-CG1 3.9Å; W15-V266 HydrophobicContact CZ2-CG2 4.45Å
16A98.9Very high98.7Very high0 Ų034.7 Ų34.70%017%0.173CC..Hα-helixtrans-59.7-44.3176.200000112A12 E14 Y19 I20 M200 L202A12-A16 WeakPolarHBondContact O-CB 3.48Å; A12-A16 PolarHBondContact O-N 3.15Å; E14-A16 PolarHBondContact O-N 3.35Å; A16-Y19 PolarHBondContact O-N 2.92Å; A16-I20 WeakPolarHBondContact O-CG1 3.42Å; A16-I20 PolarHBondContact O-N 3.25Å; A16-M200 HydrophobicContact CB-CE 3.83Å; A16-M200 HydrophobicContact CB-SD 4.06Å; A16-L202 HydrophobicContact CB-CD1 4.28Å; A16-L202 HydrophobicContact CB-CD2 4.49Å
17A98.9Very high98.7Very high0 Ų035.6 Ų35.60%018%0.176CC..Hα-helixtrans-65.6-41.4178.600000112.6S13 E14 W15 Y19 I20 C21 K51 L52 Y55S13-A17 WeakPolarHBondContact O-CB 3.3Å; S13-A17 PolarHBondContact O-N 3.38Å; E14-A17 PolarHBondContact O-N 3.16Å; W15-A17 PolarHBondContact O-N 2.79Å; A17-Y19 VanDerWaalsContact C-N 3.29Å; A17-Y19 PolarHBondContact O-N 3.41Å; A17-I20 PolarHBondContact O-N 3.26Å; A17-C21 WeakPolarHBondContact O-CB 3.4Å; A17-C21 PolarHBondContact O-N 3.06Å; A17-K51 HydrophobicContact CB-CB 3.43Å; A17-K51 VanDerWaalsContact CB-CB 3.43Å; A17-K51 HydrophobicContact CB-CG 4.43Å; A17-L52 HydrophobicContact CB-CD2 4.14Å; A17-L52 HydrophobicContact CB-CG 4.12Å; A17-Y55 HydrophobicContact CB-CE2 3.76Å
18K98.9Very high98.6Very high44 Ų4437.9 Ų37.919%0.19118%0.18CC..Hα-helixtrans-60.7-40.6173-73.1178.6178.3159.90111.2E14 W15 C21 N22 Y55 V266 L269E14-K18 HydrophobicContact CG-CD 4.27Å; E14-K18 HydrophobicContact CG-CG 4.38Å; E14-K18 WeakPolarHBondContact O-CG 3.4Å; E14-K18 PolarHBondContact O-N 2.65Å; E14-K18 WeakPolarHBondContact OE1-CE 3.43Å; E14-K18 IonicContact OE1-NZ 2.94Å; E14-K18 PolarHBondContact OE1-NZ 3.18Å; W15-K18 PolarHBondContact O-N 2.69Å; K18-C21 PolarHBondContact O-N 3.34Å; K18-N22 WeakPolarHBondContact O-CB 3.41Å; K18-N22 PolarHBondContact O-N 2.81Å; K18-Y55 VanDerWaalsContact CG-OH 3.3Å; K18-Y55 WeakPolarHBondContact CG-OH 3.47Å; K18-V266 HydrophobicContact CB-CB 3.73Å; K18-V266 HydrophobicContact CB-CG1 3.73Å; K18-V266 HydrophobicContact CD-CB 4.23Å; K18-L269 HydrophobicContact CB-CD1 3.97Å; K18-L269 HydrophobicContact CG-CD1 3.91Å; K18-L269 HydrophobicContact CG-CD2 4.26Å
19Y98.9Very high98.6Very high8 Ų835.8 Ų35.83%0.03117%0.171CC..Hα-helixtrans-64.2-47.8179.3-169.8-114.4000111.8W15 A16 A17 C21 N22 C23 E198 M200 I236 L265 V266W15-Y19 AromaticContact CH2-CD2 3.93Å; W15-Y19 HydrophobicContact CH2-CD2 3.93Å; W15-Y19 HydrophobicContact CH2-CG 4.02Å; W15-Y19 HydrophobicContact CZ3-CD1 4.41Å; W15-Y19 HydrophobicContact CZ3-CD2 4.27Å; W15-Y19 AromaticContact CZ3-CG 3.87Å; W15-Y19 HydrophobicContact CZ3-CG 3.87Å; W15-Y19 PolarHBondContact O-N 3Å; A16-Y19 PolarHBondContact O-N 2.92Å; A17-Y19 VanDerWaalsContact C-N 3.29Å; A17-Y19 PolarHBondContact O-N 3.41Å; Y19-C21 PolarHBondContact O-N 2.94Å; Y19-N22 PolarHBondContact O-N 3.01Å; Y19-C23 WeakPolarHBondContact O-CB 3.31Å; Y19-C23 PolarHBondContact O-N 3.45Å; Y19-C23 PolarHBondContact O-SG 3.2Å; Y19-E198 PolarHBondContact OH-OE1 3.17Å; Y19-E198 PolarHBondContact OH-OE2 3.46Å; Y19-E198 VanDerWaalsContact OH-OE2 3.07Å; Y19-M200 HydrophobicContact CD1-SD 3.89Å; Y19-I236 HydrophobicContact CE1-CG2 4.3Å; Y19-L265 HydrophobicContact CD2-CB 3.84Å; Y19-L265 HydrophobicContact CD2-CD1 4.34Å; Y19-L265 HydrophobicContact CE2-CB 3.78Å; Y19-L265 HydrophobicContact CE2-CD1 3.81Å; Y19-L265 HydrophobicContact CE2-CD2 4.24Å; Y19-L265 HydrophobicContact CE2-CG 4.17Å; Y19-V266 HydrophobicContact CD2-CG1 4.33Å
20I98.9Very high98.5Very high2 Ų233.6 Ų33.61%0.0117%0.169CC..Hα-helixtrans-59.4-46.9175.2-67.2163.2000110.5A16 A17 N22 C23 I24 L37 L52 L133 V135 M200A16-I20 WeakPolarHBondContact O-CG1 3.42Å; A16-I20 PolarHBondContact O-N 3.25Å; A17-I20 PolarHBondContact O-N 3.26Å; I20-N22 PolarHBondContact O-N 3.34Å; I20-C23 PolarHBondContact O-N 3.46Å; I20-I24 HydrophobicContact CG2-CD1 3.72Å; I20-I24 HydrophobicContact CG2-CG1 4.46Å; I20-I24 WeakPolarHBondContact O-CG1 3.31Å; I20-I24 PolarHBondContact O-N 3.34Å; I20-L37 HydrophobicContact CG2-CD2 4.33Å; I20-L52 HydrophobicContact CB-CD2 4.04Å; I20-L52 HydrophobicContact CD1-CD1 4.08Å; I20-L52 HydrophobicContact CG2-CD1 4.22Å; I20-L52 HydrophobicContact CG2-CD2 3.83Å; I20-L133 HydrophobicContact CG1-CD2 3.88Å; I20-V135 HydrophobicContact CD1-CG2 3.95Å; I20-V135 HydrophobicContact CG1-CG2 4.23Å; I20-M200 HydrophobicContact CD1-CE 3.64Å; I20-M200 HydrophobicContact CG1-CE 3.66Å
21C98.8Very high98.4Very high1 Ų135.5 Ų35.51%0.00717%0.172CC..Hα-helixtrans-54.7-53.1176.7-176.30000111.2A17 K18 Y19 C23 I24 V25 Y55 L61 L269A17-C21 WeakPolarHBondContact O-CB 3.4Å; A17-C21 PolarHBondContact O-N 3.06Å; K18-C21 PolarHBondContact O-N 3.34Å; Y19-C21 PolarHBondContact O-N 2.94Å; C21-C23 VanDerWaalsContact C-N 3.32Å; C21-C23 PolarHBondContact O-N 3.3Å; C21-I24 PolarHBondContact O-N 3.46Å; C21-V25 WeakPolarHBondContact O-CB 3.38Å; C21-V25 WeakPolarHBondContact O-CG2 3.37Å; C21-V25 PolarHBondContact O-N 3.18Å; C21-Y55 HydrophobicContact CB-CD2 4.12Å; C21-Y55 HydrophobicContact CB-CE2 4.47Å; C21-L61 HydrophobicContact CB-CD2 4.21Å; C21-L269 HydrophobicContact CB-CD1 4.15Å
22N98.7Very high98.3Very high2 Ų240.1 Ų40.11%0.01120%0.197CC..Hα-helixtrans-61.6-38.4179.1-81.31.4000112.6K18 Y19 I20 K26 L265 V266 P268 L269 Y270K18-N22 WeakPolarHBondContact O-CB 3.41Å; K18-N22 PolarHBondContact O-N 2.81Å; Y19-N22 PolarHBondContact O-N 3.01Å; I20-N22 PolarHBondContact O-N 3.34Å; N22-K26 WeakPolarHBondContact O-CB 3.25Å; N22-K26 WeakPolarHBondContact O-CG 3.45Å; N22-K26 PolarHBondContact O-N 2.87Å; N22-L265 PolarHBondContact ND2-O 3.05Å; N22-V266 WeakPolarHBondContact ND2-CA 3.13Å; N22-P268 PolarHBondContact ND2-O 2.67Å; N22-P268 VanDerWaalsContact ND2-O 3.07Å; N22-L269 WeakPolarHBondContact OD1-CD1 3.41Å; N22-Y270 HydrophobicContact CB-CD2 4.43Å; N22-Y270 WeakPolarHBondContact OD1-CD2 3.43Å; N22-Y270 PolarHBondContact OD1-N 2.93Å
23C98.7Very high98.2Very high21 Ų2146.9 Ų46.914%0.14222%0.222CC..Hα-helixtrans-61.8-49.4176-70.90000111.1Y19 I20 C21 F27 F35Y19-C23 WeakPolarHBondContact O-CB 3.31Å; Y19-C23 PolarHBondContact O-N 3.45Å; Y19-C23 PolarHBondContact O-SG 3.2Å; I20-C23 PolarHBondContact O-N 3.46Å; C21-C23 VanDerWaalsContact C-N 3.32Å; C21-C23 PolarHBondContact O-N 3.3Å; C23-F27 WeakPolarHBondContact O-CB 3.48Å; C23-F27 PolarHBondContact O-N 2.86Å; C23-F35 HydrophobicContact CB-CE2 4.25Å; C23-F35 HydrophobicContact CB-CZ 4Å
24I98.7Very high98.2Very high4 Ų449.9 Ų49.92%0.02123%0.234CC..Hα-helixtrans-63.6-50.7179.4-66.2168.1000110.6I20 C21 K26 F27 K28 P29 F35 L61 F63 V66I20-I24 HydrophobicContact CG2-CD1 3.72Å; I20-I24 HydrophobicContact CG2-CG1 4.46Å; I20-I24 WeakPolarHBondContact O-CG1 3.31Å; I20-I24 PolarHBondContact O-N 3.34Å; C21-I24 PolarHBondContact O-N 3.46Å; I24-K26 PolarHBondContact O-N 3.23Å; I24-F27 PolarHBondContact O-N 2.96Å; I24-K28 PolarHBondContact O-N 3.31Å; I24-K28 VanDerWaalsContact O-N 3.15Å; I24-P29 HydrophobicContact CG2-CG 4.12Å; I24-P29 WeakPolarHBondContact O-CD 3.16Å; I24-F35 HydrophobicContact CD1-CD1 4.42Å; I24-F35 HydrophobicContact CD1-CE1 4.43Å; I24-F35 HydrophobicContact CG1-CD1 3.66Å; I24-F35 HydrophobicContact CG1-CE1 3.68Å; I24-F35 HydrophobicContact CG1-CG 4.14Å; I24-F35 HydrophobicContact CG1-CZ 4.19Å; I24-L61 HydrophobicContact CB-CD1 3.87Å; I24-L61 HydrophobicContact CD1-CD1 4.14Å; I24-L61 HydrophobicContact CG2-CD1 3.7Å; I24-F63 HydrophobicContact CD1-CD1 4.43Å; I24-F63 HydrophobicContact CD1-CE1 3.86Å; I24-F63 HydrophobicContact CD1-CZ 4.46Å; I24-V66 HydrophobicContact CD1-CG2 4.22Å; I24-V66 HydrophobicContact CG2-CG2 4.19Å
25V98.2Very high98.2Very high25 Ų2547.5 Ų47.515%0.15222%0.223CC..Hα-helixtrans-63.4-41.4-177.2174.50000111.6C21 K28 L61C21-V25 WeakPolarHBondContact O-CB 3.38Å; C21-V25 WeakPolarHBondContact O-CG2 3.37Å; C21-V25 PolarHBondContact O-N 3.18Å; V25-K28 VanDerWaalsContact O-CG 3.27Å; V25-K28 WeakPolarHBondContact O-CG 3.43Å; V25-K28 PolarHBondContact O-N 3.2Å; V25-L61 HydrophobicContact CG2-CD1 4.13Å
26K97.8Very high98.2Very high102 Ų10247 Ų4744%0.44322%0.221SC..Hα-helixtrans-71.1-32.6177.1-71.4174.9179.5176.10112.9N22 I24 K28 Y270N22-K26 WeakPolarHBondContact O-CB 3.25Å; N22-K26 WeakPolarHBondContact O-CG 3.45Å; N22-K26 PolarHBondContact O-N 2.87Å; I24-K26 PolarHBondContact O-N 3.23Å; K26-K28 PolarHBondContact O-N 3.31Å; K26-Y270 HydrophobicContact CD-CE2 4.4Å; K26-Y270 VanDerWaalsContact NZ-CE2 3.28Å
27F98.3Very high98.2Very high38 Ų3847 Ų4717%0.16722%0.221CC..Hα-helixtrans-66.6-29.1176.4-174.9-90.8000111.9C23 I24 P29 R33 Y34 F35C23-F27 WeakPolarHBondContact O-CB 3.48Å; C23-F27 PolarHBondContact O-N 2.86Å; I24-F27 PolarHBondContact O-N 2.96Å; F27-P29 HydrophobicContact CD1-CB 3.95Å; F27-P29 HydrophobicContact CE1-CB 4.23Å; F27-R33 HydrophobicContact CE1-CG 3.77Å; F27-R33 VanDerWaalsContact CE2-NH2 3.32Å; F27-R33 HydrophobicContact CZ-CG 3.92Å; F27-R33 PolarHBondContact O-NH1 3Å; F27-Y34 VanDerWaalsContact CE1-O 3.31Å; F27-Y34 WeakPolarHBondContact CE1-O 3.32Å; F27-Y34 WeakPolarHBondContact CZ-O 3.46Å; F27-F35 HydrophobicContact CB-CD2 3.76Å; F27-F35 HydrophobicContact CB-CE2 4.24Å; F27-F35 HydrophobicContact CD1-CB 3.94Å; F27-F35 AromaticContact CD1-CD2 3.87Å; F27-F35 HydrophobicContact CD1-CD2 3.87Å; F27-F35 HydrophobicContact CD1-CG 4.42Å; F27-F35 AromaticContact CD2-CD2 3.86Å; F27-F35 HydrophobicContact CD2-CD2 3.86Å; F27-F35 HydrophobicContact CD2-CE2 4.37Å; F27-F35 HydrophobicContact CE1-CB 4.06Å; F27-F35 HydrophobicContact CE1-CD2 4.34Å; F27-F35 HydrophobicContact CE2-CD2 4.34Å; F27-F35 AromaticContact CG-CD2 3.59Å; F27-F35 HydrophobicContact CG-CD2 3.59Å; F27-F35 HydrophobicContact CG-CE2 4.34Å
28K97.4Very high98.2Very high165 Ų16547 Ų4772%0.71722%0.221SC*.  trans54.861.5-179.2-59.4-178.2179.4-171.40111.6I24 V25 K26I24-K28 PolarHBondContact O-N 3.31Å; I24-K28 VanDerWaalsContact O-N 3.15Å; V25-K28 VanDerWaalsContact O-CG 3.27Å; V25-K28 WeakPolarHBondContact O-CG 3.43Å; V25-K28 PolarHBondContact O-N 3.2Å; K26-K28 PolarHBondContact O-N 3.31Å
29P97.9Very high98.2Very high27 Ų2745 Ų4518%0.17521%0.212CC..  trans-65.6148.5-177.330.5-36.6000111.3I24 F27 R33 F35 Y65I24-P29 HydrophobicContact CG2-CG 4.12Å; I24-P29 WeakPolarHBondContact O-CD 3.16Å; F27-P29 HydrophobicContact CD1-CB 3.95Å; F27-P29 HydrophobicContact CE1-CB 4.23Å; P29-R33 CarbonylContact C-O 3.52Å; P29-R33 WeakPolarHBondContact CA-O 3.49Å; P29-R33 WeakPolarHBondContact CB-O 3.18Å; P29-F35 HydrophobicContact CB-CB 4.05Å; P29-F35 HydrophobicContact CG-CB 4.33Å; P29-Y65 WeakPolarHBondContact CB-O 3.23Å
30G97.6Very high98.2Very high23 Ų2344.8 Ų44.824%0.23721%0.212CC..BIsolated β-bridgetrans-147.6-179.5-177.800000111.4D32 R33 Y65G30-D32 PolarHBondContact O-N 3.19Å; G30-D32 VanDerWaalsContact O-N 3.09Å; G30-R33 PolarHBondContact N-O 3.11Å; G30-R33 CarbonylContact O-C 3.56Å; G30-R33 PolarHBondContact O-N 3.14Å; G30-Y65 VanDerWaalsContact C-CD1 3.46Å
31K96.1Very high98.1Very high151 Ų15145.5 Ų45.566%0.65722%0.216SC*.THydrogen-bonded Turntrans-54.3-33.3-175.6-172.2-178.8176.5-173.30113.9Y34 Y65K31-Y34 WeakPolarHBondContact O-CE2 3.34Å; K31-Y65 VanDerWaalsContact CA-CE1 3.49Å; K31-Y65 HydrophobicContact CB-CE1 3.88Å
32D96.1Very high97.9Very high160 Ų16046.5 Ų46.586%0.85623%0.227SC*.THydrogen-bonded Turntrans-104.75-178.2-50.7-52000112.6G30G30-D32 PolarHBondContact O-N 3.19Å; G30-D32 VanDerWaalsContact O-N 3.09Å
33R97.2Very high97.7Very high142 Ų14249.6 Ų49.654%0.53625%0.249SC..BIsolated β-bridgetrans-152.585.8-176.3-170.6-173.9171.7-162.8-5.2110.4F27 P29 G30F27-R33 HydrophobicContact CE1-CG 3.77Å; F27-R33 VanDerWaalsContact CE2-NH2 3.32Å; F27-R33 HydrophobicContact CZ-CG 3.92Å; F27-R33 PolarHBondContact O-NH1 3Å; P29-R33 CarbonylContact C-O 3.52Å; P29-R33 WeakPolarHBondContact CA-O 3.49Å; P29-R33 WeakPolarHBondContact CB-O 3.18Å; G30-R33 PolarHBondContact N-O 3.11Å; G30-R33 CarbonylContact O-C 3.56Å; G30-R33 PolarHBondContact O-N 3.14Å
34Y98.7Very high97.6Very high65 Ų6549.2 Ų49.226%0.25525%0.246SC..PPolyproline II helixtrans-75.9152.1177-74.6-101.4000111.3F27 K31 Y65 K67 N103F27-Y34 VanDerWaalsContact CE1-O 3.31Å; F27-Y34 WeakPolarHBondContact CE1-O 3.32Å; F27-Y34 WeakPolarHBondContact CZ-O 3.46Å; K31-Y34 WeakPolarHBondContact O-CE2 3.34Å; Y34-Y65 VanDerWaalsContact CA-O 3.31Å; Y34-Y65 WeakPolarHBondContact CA-O 3.46Å; Y34-Y65 VanDerWaalsContact CD1-C 3.41Å; Y34-Y65 WeakPolarHBondContact CD1-O 3.31Å; Y34-Y65 HydrophobicContact CE1-CD1 4.11Å; Y34-K67 HydrophobicContact CD1-CD 4.33Å; Y34-K67 HydrophobicContact CD1-CG 3.79Å; Y34-K67 HydrophobicContact CG-CD 4.23Å; Y34-K67 HydrophobicContact CG-CG 4.13Å; Y34-N103 WeakPolarHBondContact CE1-ND2 3.23Å
35F98.9Very high97.6Very high7 Ų749.4 Ų49.43%0.03125%0.247CC..EExtended strand (participates in β ladder)trans-94.4117.9165.7-176.7-90.1000108.9C23 I24 F27 P29 L37 Y65 V66 K67 D132 L133C23-F35 HydrophobicContact CB-CE2 4.25Å; C23-F35 HydrophobicContact CB-CZ 4Å; I24-F35 HydrophobicContact CD1-CD1 4.42Å; I24-F35 HydrophobicContact CD1-CE1 4.43Å; I24-F35 HydrophobicContact CG1-CD1 3.66Å; I24-F35 HydrophobicContact CG1-CE1 3.68Å; I24-F35 HydrophobicContact CG1-CG 4.14Å; I24-F35 HydrophobicContact CG1-CZ 4.19Å; F27-F35 HydrophobicContact CB-CD2 3.76Å; F27-F35 HydrophobicContact CB-CE2 4.24Å; F27-F35 HydrophobicContact CD1-CB 3.94Å; F27-F35 AromaticContact CD1-CD2 3.87Å; F27-F35 HydrophobicContact CD1-CD2 3.87Å; F27-F35 HydrophobicContact CD1-CG 4.42Å; F27-F35 AromaticContact CD2-CD2 3.86Å; F27-F35 HydrophobicContact CD2-CD2 3.86Å; F27-F35 HydrophobicContact CD2-CE2 4.37Å; F27-F35 HydrophobicContact CE1-CB 4.06Å; F27-F35 HydrophobicContact CE1-CD2 4.34Å; F27-F35 HydrophobicContact CE2-CD2 4.34Å; F27-F35 AromaticContact CG-CD2 3.59Å; F27-F35 HydrophobicContact CG-CD2 3.59Å; F27-F35 HydrophobicContact CG-CE2 4.34Å; P29-F35 HydrophobicContact CB-CB 4.05Å; P29-F35 HydrophobicContact CG-CB 4.33Å; F35-L37 HydrophobicContact CD1-CB 4.2Å; F35-L37 HydrophobicContact CE1-CB 4.09Å; F35-L37 HydrophobicContact CE1-CD1 4.21Å; F35-Y65 PolarHBondContact N-O 3.19Å; F35-V66 HydrophobicContact CB-CG2 4.39Å; F35-V66 CarbonylContact O-C 3.54Å; F35-V66 VanDerWaalsContact O-CA 3.31Å; F35-V66 WeakPolarHBondContact O-CA 3.5Å; F35-V66 WeakPolarHBondContact O-CG1 3.39Å; F35-K67 PolarHBondContact O-N 3.11Å; F35-D132 WeakPolarHBondContact CA-OD2 3.45Å; F35-D132 HydrophobicContact CD2-CB 3.91Å; F35-D132 HydrophobicContact CE2-CB 3.66Å; F35-D132 HydrophobicContact CG-CB 4.47Å; F35-D132 HydrophobicContact CZ-CB 4Å; F35-L133 HydrophobicContact CE1-CB 4.24Å; F35-L133 HydrophobicContact CZ-CB 3.8Å
36S98.9Very high97.6Very high0 Ų050.3 Ų50.30%025%0.251CS..EExtended strand (participates in β ladder)trans-93.2119.4-178.5-65.60000110.9K67 A128 G130 D132 L133S36-K67 CarbonylContact C-O 3.47Å; S36-K67 WeakPolarHBondContact CA-O 3.28Å; S36-A128 PolarHBondContact OG-O 3.36Å; S36-G130 WeakPolarHBondContact CB-O 3.16Å; S36-G130 PolarHBondContact OG-O 2.81Å; S36-D132 PolarHBondContact N-OD2 2.93Å; S36-D132 WeakPolarHBondContact O-CB 3.4Å; S36-D132 PolarHBondContact O-N 3.12Å; S36-L133 PolarHBondContact O-N 2.91Å
37L98.9Very high97.6Very high0 Ų045.8 Ų45.80%023%0.234CC..EExtended strand (participates in β ladder)trans-120.8113.7-171.3179.660.2000111.4I20 F35 L39 V66 K67 T68 F69 L133 V135I20-L37 HydrophobicContact CG2-CD2 4.33Å; F35-L37 HydrophobicContact CD1-CB 4.2Å; F35-L37 HydrophobicContact CE1-CB 4.09Å; F35-L37 HydrophobicContact CE1-CD1 4.21Å; L37-L39 HydrophobicContact CD1-CD2 4.24Å; L37-L39 HydrophobicContact CD2-CD1 4.45Å; L37-L39 HydrophobicContact CD2-CD2 3.81Å; L37-L39 HydrophobicContact CD2-CG 4.26Å; L37-L39 HydrophobicContact CG-CD2 3.73Å; L37-L39 HydrophobicContact CG-CG 3.98Å; L37-V66 HydrophobicContact CB-CG1 4.11Å; L37-V66 HydrophobicContact CD2-CG1 4.42Å; L37-K67 PolarHBondContact N-O 3.05Å; L37-T68 HydrophobicContact CB-CG2 4.41Å; L37-T68 CarbonylContact O-C 3.59Å; L37-T68 VanDerWaalsContact O-CA 3.23Å; L37-T68 WeakPolarHBondContact O-CA 3.16Å; L37-F69 PolarHBondContact O-N 2.77Å; L37-L133 CarbonylContact C-O 3.35Å; L37-L133 WeakPolarHBondContact CA-O 3.37Å; L37-L133 HydrophobicContact CD1-CB 4.16Å; L37-L133 HydrophobicContact CD1-CD2 4.11Å; L37-L133 HydrophobicContact CD1-CG 4.1Å; L37-L133 WeakPolarHBondContact CD1-O 3.39Å; L37-V135 HydrophobicContact CD1-CG2 3.9Å
38G98.9Very high97.7Very high0 Ų044.2 Ų44.20%023%0.227CC..EExtended strand (participates in β ladder)trans-76.1134.6169.600000110.8F69 L133 V135G38-F69 CarbonylContact C-O 3.59Å; G38-F69 VanDerWaalsContact CA-O 3.26Å; G38-F69 WeakPolarHBondContact CA-O 3.24Å; G38-L133 PolarHBondContact N-O 3.29Å; G38-V135 WeakPolarHBondContact O-CB 3.35Å; G38-V135 PolarHBondContact O-N 3.09Å
39L98.9Very high97.7Very high2 Ų236.5 Ų36.51%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-131141.6-171.9-73.4-177.4000114.1L37 Y49 T68 F69 N70 M71 M89 F93 F94L37-L39 HydrophobicContact CD1-CD2 4.24Å; L37-L39 HydrophobicContact CD2-CD1 4.45Å; L37-L39 HydrophobicContact CD2-CD2 3.81Å; L37-L39 HydrophobicContact CD2-CG 4.26Å; L37-L39 HydrophobicContact CG-CD2 3.73Å; L37-L39 HydrophobicContact CG-CG 3.98Å; L39-Y49 HydrophobicContact CD1-CE1 4.27Å; L39-Y49 HydrophobicContact CD2-CE1 4.01Å; L39-T68 HydrophobicContact CD1-CG2 3.59Å; L39-T68 HydrophobicContact CG-CG2 4.41Å; L39-F69 PolarHBondContact N-O 2.71Å; L39-N70 WeakPolarHBondContact O-CA 3.42Å; L39-N70 PolarHBondContact O-ND2 3.07Å; L39-M71 PolarHBondContact O-N 3.27Å; L39-M71 VanDerWaalsContact O-N 3.12Å; L39-M89 HydrophobicContact CB-CE 4.2Å; L39-M89 HydrophobicContact CD1-CE 3.66Å; L39-F93 HydrophobicContact CD1-CD1 4.14Å; L39-F93 HydrophobicContact CD1-CE1 3.91Å; L39-F94 HydrophobicContact CD1-CE1 4.1Å; L39-F94 HydrophobicContact CD1-CZ 4.46Å
40P98.6Very high97.8Very high4 Ų441 Ų413%0.02621%0.211CC..  trans-101169.517437.7-28.9000113.4P45 Y49 M71 V135P40-P45 HydrophobicContact CG-CB 3.94Å; P40-P45 HydrophobicContact CG-CG 4.04Å; P40-Y49 PolarHBondContact O-OH 2.94Å; P40-M71 HydrophobicContact CB-CE 3.37Å; P40-M71 HydrophobicContact CB-SD 4.02Å; P40-V135 WeakPolarHBondContact CD-O 3.34Å; P40-V135 HydrophobicContact CG-CG1 4.14Å
41T97.8Very high97.8Very high16 Ų1642.7 Ų42.710%0.09821%0.211CC..  trans-113.3-171.2169.765.70000111.1P45 Y85 Y88 M89T41-P45 WeakPolarHBondContact O-CD 3.46Å; T41-P45 WeakPolarHBondContact O-CG 3.32Å; T41-Y85 HydrophobicContact CG2-CD1 4.12Å; T41-Y85 HydrophobicContact CG2-CD2 3.96Å; T41-Y85 HydrophobicContact CG2-CG 3.73Å; T41-Y85 WeakPolarHBondContact OG1-CE1 3.44Å; T41-Y85 VanDerWaalsContact OG1-CE2 3.3Å; T41-Y85 WeakPolarHBondContact OG1-CE2 3.33Å; T41-Y85 VanDerWaalsContact OG1-CZ 3.28Å; T41-Y88 HydrophobicContact CG2-CD1 3.67Å; T41-Y88 HydrophobicContact CG2-CE1 4.1Å; T41-Y88 HydrophobicContact CG2-CG 4.3Å; T41-M89 HydrophobicContact CG2-CG 4.17Å; T41-M89 HydrophobicContact CG2-SD 4.01Å
42G94.1Very high98Very high23 Ų2335.5 Ų35.524%0.23718%0.18CC..SBendtrans94.8-176.7176.800000114.7P45 Y88G42-P45 WeakPolarHBondContact O-CD 3.43Å; G42-Y88 PolarHBondContact O-OH 3.21Å
43S93.9Very high98.1Very high66 Ų6628.7 Ų28.746%0.46214%0.143SC..SBendtrans-72.8-32.9-174.953.50000113.5Y9 L46Y9-S43 PolarHBondContact OH-O 3.07Å; Y9-S43 VanDerWaalsContact OH-O 3.05Å; S43-L46 WeakPolarHBondContact O-CB 3.26Å; S43-L46 PolarHBondContact O-N 2.94Å
44T96.9Very high98.2Very high13 Ų1325.5 Ų25.58%0.0814%0.135CC..THydrogen-bonded Turntrans-59.3-52.6-177.7-63.10000113.1Y9 L46 L202Y9-T44 WeakPolarHBondContact CE2-O 3.41Å; Y9-T44 PolarHBondContact OH-O 3.16Å; T44-L46 VanDerWaalsContact C-N 3.27Å; T44-L46 PolarHBondContact O-N 2.86Å; T44-L202 HydrophobicContact CG2-CB 4.16Å; T44-L202 HydrophobicContact CG2-CD2 3.89Å; T44-L202 HydrophobicContact CG2-CG 3.66Å; T44-L202 WeakPolarHBondContact CG2-O 3.41Å
45P98.2Very high98.2Very high9 Ų922.6 Ų22.66%0.05812%0.123CC..THydrogen-bonded Turntrans-76.3-6.8-178.731.7-38.6000114.9P40 T41 G42 G47 C48 Y49P40-P45 HydrophobicContact CG-CB 3.94Å; P40-P45 HydrophobicContact CG-CG 4.04Å; T41-P45 WeakPolarHBondContact O-CD 3.46Å; T41-P45 WeakPolarHBondContact O-CG 3.32Å; G42-P45 WeakPolarHBondContact O-CD 3.43Å; P45-G47 VanDerWaalsContact C-N 3.35Å; P45-G47 PolarHBondContact O-N 2.96Å; P45-C48 WeakPolarHBondContact O-CA 3.46Å; P45-C48 VanDerWaalsContact O-CB 3.31Å; P45-C48 WeakPolarHBondContact O-CB 3.36Å; P45-C48 PolarHBondContact O-N 3.24Å; P45-Y49 HydrophobicContact CB-CD2 4.25Å; P45-Y49 HydrophobicContact CB-CE2 3.8Å; P45-Y49 HydrophobicContact CG-CE2 4.03Å; P45-Y49 WeakPolarHBondContact O-CD2 3.27Å; P45-Y49 PolarHBondContact O-N 3.42Å
46L98.3Very high98.2Very high43 Ų4324.2 Ų24.223%0.22513%0.131CC..Hα-helixtrans-60.5-41.1-173.6-174.261.8000113S43 T44 C48 Y49 K50 N92S43-L46 WeakPolarHBondContact O-CB 3.26Å; S43-L46 PolarHBondContact O-N 2.94Å; T44-L46 VanDerWaalsContact C-N 3.27Å; T44-L46 PolarHBondContact O-N 2.86Å; L46-C48 VanDerWaalsContact C-N 3.33Å; L46-Y49 PolarHBondContact O-N 2.55Å; L46-K50 WeakPolarHBondContact O-CG 3.49Å; L46-K50 PolarHBondContact O-N 3.25Å; L46-N92 HydrophobicContact CD1-CB 3.85Å
47G98.7Very high98.1Very high8 Ų831.4 Ų31.48%0.08216%0.162CC..Hα-helixtrans-62.8-40.1174.900000112.1Y9 P45 K50 K51Y9-G47 WeakPolarHBondContact OH-CA 3.18Å; Y9-G47 PolarHBondContact OH-N 2.91Å; P45-G47 VanDerWaalsContact C-N 3.35Å; P45-G47 PolarHBondContact O-N 2.96Å; G47-K50 PolarHBondContact O-N 3.21Å; G47-K51 WeakPolarHBondContact O-CG 3.39Å; G47-K51 PolarHBondContact O-N 3.04Å; G47-K51 VanDerWaalsContact O-N 3.1Å
48C98.9Very high98Very high5 Ų537.2 Ų37.23%0.03418%0.184CC..Hα-helixtrans-61.7-46.7174.4-179.20000111.1P45 L46 K50 K51 L52 L202P45-C48 WeakPolarHBondContact O-CA 3.46Å; P45-C48 VanDerWaalsContact O-CB 3.31Å; P45-C48 WeakPolarHBondContact O-CB 3.36Å; P45-C48 PolarHBondContact O-N 3.24Å; L46-C48 VanDerWaalsContact C-N 3.33Å; C48-K50 PolarHBondContact O-N 2.98Å; C48-K51 PolarHBondContact O-N 2.94Å; C48-L52 WeakPolarHBondContact O-CG 3.35Å; C48-L52 PolarHBondContact O-N 3.49Å; C48-L202 HydrophobicContact CB-CD2 4.42Å
49Y98.9Very high98Very high3 Ų338.6 Ų38.61%0.01220%0.198CC..Hα-helixtrans-60.1-43.1176.4-69.1-48.1000112.7L39 P40 P45 L46 K51 L52 I53 Y88 M89 F93L39-Y49 HydrophobicContact CD1-CE1 4.27Å; L39-Y49 HydrophobicContact CD2-CE1 4.01Å; P40-Y49 PolarHBondContact O-OH 2.94Å; P45-Y49 HydrophobicContact CB-CD2 4.25Å; P45-Y49 HydrophobicContact CB-CE2 3.8Å; P45-Y49 HydrophobicContact CG-CE2 4.03Å; P45-Y49 WeakPolarHBondContact O-CD2 3.27Å; P45-Y49 PolarHBondContact O-N 3.42Å; L46-Y49 PolarHBondContact O-N 2.55Å; Y49-K51 VanDerWaalsContact C-N 3.31Å; Y49-K51 PolarHBondContact O-N 2.89Å; Y49-L52 HydrophobicContact CD1-CD1 4.38Å; Y49-L52 PolarHBondContact O-N 3.17Å; Y49-I53 VanDerWaalsContact O-CG1 3.26Å; Y49-I53 WeakPolarHBondContact O-CG1 3.49Å; Y49-I53 PolarHBondContact O-N 3.25Å; Y49-Y88 HydrophobicContact CD2-CE1 4.41Å; Y49-Y88 HydrophobicContact CE2-CE1 4Å; Y49-M89 HydrophobicContact CE1-CE 4.29Å; Y49-M89 HydrophobicContact CE2-SD 4.31Å; Y49-F93 HydrophobicContact CD1-CB 3.94Å; Y49-F93 AromaticContact CD1-CD1 3.78Å; Y49-F93 HydrophobicContact CD1-CD1 3.78Å; Y49-F93 AromaticContact CD1-CD2 3.63Å; Y49-F93 HydrophobicContact CD1-CD2 3.63Å; Y49-F93 HydrophobicContact CD1-CE1 4.17Å; Y49-F93 HydrophobicContact CD1-CE2 4.04Å; Y49-F93 AromaticContact CD1-CG 3.5Å; Y49-F93 HydrophobicContact CD1-CG 3.5Å; Y49-F93 HydrophobicContact CD1-CZ 4.3Å; Y49-F93 HydrophobicContact CE1-CB 4.38Å; Y49-F93 AromaticContact CE1-CD1 3.75Å; Y49-F93 HydrophobicContact CE1-CD1 3.75Å; Y49-F93 HydrophobicContact CE1-CD2 4.43Å; Y49-F93 HydrophobicContact CE1-CE1 4.1Å; Y49-F93 AromaticContact CE1-CG 3.95Å; Y49-F93 HydrophobicContact CE1-CG 3.95Å; Y49-F93 HydrophobicContact CG-CB 4.1Å; Y49-F93 HydrophobicContact CG-CD2 4.22Å; Y49-F93 HydrophobicContact CG-CG 4.12Å
50K98.9Very high97.9Very high122 Ų12240 Ų4053%0.5321%0.206SC..Hα-helixtrans-56.9-44.6175.2-72.7173.7179.5177.20111.6L46 G47 C48 I53 E54L46-K50 WeakPolarHBondContact O-CG 3.49Å; L46-K50 PolarHBondContact O-N 3.25Å; G47-K50 PolarHBondContact O-N 3.21Å; C48-K50 PolarHBondContact O-N 2.98Å; K50-I53 PolarHBondContact O-N 2.86Å; K50-E54 WeakPolarHBondContact O-CG 3.4Å; K50-E54 PolarHBondContact O-N 3.23Å
51K98.9Very high97.9Very high57 Ų5739.9 Ų39.925%0.24821%0.205CC..Hα-helixtrans-67.2-40.4177.5-68.5-63.3174.6-159.90113.2E14 A17 G47 C48 Y49 I53 E54 Y55E14-K51 HydrophobicContact CB-CG 4.43Å; A17-K51 HydrophobicContact CB-CB 3.43Å; A17-K51 VanDerWaalsContact CB-CB 3.43Å; A17-K51 HydrophobicContact CB-CG 4.43Å; G47-K51 WeakPolarHBondContact O-CG 3.39Å; G47-K51 PolarHBondContact O-N 3.04Å; G47-K51 VanDerWaalsContact O-N 3.1Å; C48-K51 PolarHBondContact O-N 2.94Å; Y49-K51 VanDerWaalsContact C-N 3.31Å; Y49-K51 PolarHBondContact O-N 2.89Å; K51-I53 VanDerWaalsContact C-N 3.33Å; K51-I53 PolarHBondContact O-N 2.96Å; K51-E54 WeakPolarHBondContact CD-OE2 3.44Å; K51-E54 IonicContact NZ-OE1 2.7Å; K51-E54 PolarHBondContact NZ-OE1 3.25Å; K51-E54 IonicContact NZ-OE2 3.34Å; K51-E54 PolarHBondContact NZ-OE2 3.24Å; K51-E54 WeakPolarHBondContact O-CB 3.42Å; K51-E54 PolarHBondContact O-N 2.91Å; K51-E54 VanDerWaalsContact O-N 3.17Å; K51-Y55 HydrophobicContact CB-CE2 4.26Å; K51-Y55 VanDerWaalsContact O-CD2 3.24Å; K51-Y55 WeakPolarHBondContact O-CD2 3.35Å; K51-Y55 PolarHBondContact O-N 3.25Å
52L98.9Very high97.9Very high0 Ų040.3 Ų40.30%021%0.209CC..Hα-helixtrans-61.2-40.9173.6-68.8174.2000112.1A17 I20 C48 Y49 Y55 H56 L61 F63 F93A17-L52 HydrophobicContact CB-CD2 4.14Å; A17-L52 HydrophobicContact CB-CG 4.12Å; I20-L52 HydrophobicContact CB-CD2 4.04Å; I20-L52 HydrophobicContact CD1-CD1 4.08Å; I20-L52 HydrophobicContact CG2-CD1 4.22Å; I20-L52 HydrophobicContact CG2-CD2 3.83Å; C48-L52 WeakPolarHBondContact O-CG 3.35Å; C48-L52 PolarHBondContact O-N 3.49Å; Y49-L52 HydrophobicContact CD1-CD1 4.38Å; Y49-L52 PolarHBondContact O-N 3.17Å; L52-Y55 HydrophobicContact CD2-CD2 4.34Å; L52-Y55 PolarHBondContact O-N 3.23Å; L52-H56 PolarHBondContact O-N 3.07Å; L52-L61 HydrophobicContact CD2-CD2 3.82Å; L52-F63 HydrophobicContact CB-CZ 4.22Å; L52-F63 HydrophobicContact CD2-CZ 4.4Å; L52-F93 HydrophobicContact CB-CE2 3.92Å; L52-F93 HydrophobicContact CD1-CE2 4.24Å; L52-F93 HydrophobicContact CD1-CZ 4.19Å
53I98.9Very high98.1Very high17 Ų1739.2 Ų39.29%0.08720%0.197CC..Hα-helixtrans-62.7-42.2173.4-67163.3000110.8Y49 K50 K51 H56 K57 N92 F93 H96 V97Y49-I53 VanDerWaalsContact O-CG1 3.26Å; Y49-I53 WeakPolarHBondContact O-CG1 3.49Å; Y49-I53 PolarHBondContact O-N 3.25Å; K50-I53 PolarHBondContact O-N 2.86Å; K51-I53 VanDerWaalsContact C-N 3.33Å; K51-I53 PolarHBondContact O-N 2.96Å; I53-H56 PolarHBondContact O-N 3.48Å; I53-K57 HydrophobicContact CG2-CD 3.89Å; I53-K57 HydrophobicContact CG2-CG 4.25Å; I53-K57 WeakPolarHBondContact O-CB 3.42Å; I53-K57 WeakPolarHBondContact O-CG 3.46Å; I53-K57 PolarHBondContact O-N 3.07Å; I53-N92 WeakPolarHBondContact CD1-O 3.38Å; I53-F93 HydrophobicContact CD1-CD2 4.35Å; I53-F93 HydrophobicContact CG1-CD2 4.04Å; I53-F93 HydrophobicContact CG1-CE2 4.44Å; I53-H96 HydrophobicContact CD1-CB 3.72Å; I53-H96 HydrophobicContact CG1-CB 3.82Å; I53-H96 HydrophobicContact CG2-CB 3.87Å; I53-V97 HydrophobicContact CG1-CG1 4.09Å
54E98.8Very high98.3Very high75 Ų7541.5 Ų41.535%0.3520%0.199SC..Hα-helixtrans-61.6-41.6175.3-71.5171.1-15600112.1K50 K51 H56 R58K50-E54 WeakPolarHBondContact O-CG 3.4Å; K50-E54 PolarHBondContact O-N 3.23Å; K51-E54 WeakPolarHBondContact CD-OE2 3.44Å; K51-E54 IonicContact NZ-OE1 2.7Å; K51-E54 PolarHBondContact NZ-OE1 3.25Å; K51-E54 IonicContact NZ-OE2 3.34Å; K51-E54 PolarHBondContact NZ-OE2 3.24Å; K51-E54 WeakPolarHBondContact O-CB 3.42Å; K51-E54 PolarHBondContact O-N 2.91Å; K51-E54 VanDerWaalsContact O-N 3.17Å; E54-H56 VanDerWaalsContact C-N 3.35Å; E54-R58 WeakPolarHBondContact O-CB 3.41Å; E54-R58 WeakPolarHBondContact O-CG 3.25Å; E54-R58 PolarHBondContact O-N 3.29Å; E54-R58 VanDerWaalsContact O-N 3.14Å; E54-R58 PolarHBondContact O-NE 2.98Å; E54-R58 IonicContact OE2-NH2 2.84Å
55Y98.7Very high98.4Very high4 Ų444.2 Ų44.22%0.01621%0.208CC..Hα-helixtrans-64.4-41175.4-59.7-40000111.5A17 K18 C21 K51 L52 R58 G59 D60 L61 L269A17-Y55 HydrophobicContact CB-CE2 3.76Å; K18-Y55 VanDerWaalsContact CG-OH 3.3Å; K18-Y55 WeakPolarHBondContact CG-OH 3.47Å; C21-Y55 HydrophobicContact CB-CD2 4.12Å; C21-Y55 HydrophobicContact CB-CE2 4.47Å; K51-Y55 HydrophobicContact CB-CE2 4.26Å; K51-Y55 VanDerWaalsContact O-CD2 3.24Å; K51-Y55 WeakPolarHBondContact O-CD2 3.35Å; K51-Y55 PolarHBondContact O-N 3.25Å; L52-Y55 HydrophobicContact CD2-CD2 4.34Å; L52-Y55 PolarHBondContact O-N 3.23Å; Y55-R58 PolarHBondContact O-N 3.42Å; Y55-G59 PolarHBondContact O-N 3.33Å; Y55-D60 PolarHBondContact O-N 3.47Å; Y55-L61 PolarHBondContact O-N 2.94Å; Y55-L269 HydrophobicContact CD1-CD2 4.48Å; Y55-L269 HydrophobicContact CE1-CD2 3.94Å
56H98.6Very high98.4Very high41 Ų4143.8 Ų43.819%0.1921%0.205CC..Hα-helixtrans-64.3-49.3176.2177.461.2000112.7L52 I53 E54 R58 G59 L61 F63 V97 D98L52-H56 PolarHBondContact O-N 3.07Å; I53-H56 PolarHBondContact O-N 3.48Å; E54-H56 VanDerWaalsContact C-N 3.35Å; H56-R58 PolarHBondContact O-N 3.13Å; H56-G59 WeakPolarHBondContact O-CA 3.42Å; H56-G59 PolarHBondContact O-N 2.91Å; H56-L61 WeakPolarHBondContact CA-O 3.47Å; H56-L61 PolarHBondContact ND1-O 2.86Å; H56-F63 HydrophobicContact CB-CE2 4.4Å; H56-V97 HydrophobicContact CB-CG1 4.07Å; H56-D98 IonicContact CE1-OD1 2.6Å; H56-D98 PolarHBondContact CE1-OD1 3.41Å; H56-D98 IonicContact CE1-OD2 3.82Å; H56-D98 IonicContact ND1-OD1 3.04Å; H56-D98 PolarHBondContact ND1-OD1 3.48Å; H56-D98 PolarHBondContact NE2-N 2.9Å; H56-D98 IonicContact NE2-OD1 2.82Å
57K98.3Very high98.5Very high151 Ų15144 Ų4466%0.65720%0.204SC*.Hα-helixtrans-61.6-29.6179.3-74.9179.1177.6176.60113.2I53 G59I53-K57 HydrophobicContact CG2-CD 3.89Å; I53-K57 HydrophobicContact CG2-CG 4.25Å; I53-K57 WeakPolarHBondContact O-CB 3.42Å; I53-K57 WeakPolarHBondContact O-CG 3.46Å; I53-K57 PolarHBondContact O-N 3.07Å; K57-G59 VanDerWaalsContact C-N 3.26Å
58R97.2Very high98.5Very high122 Ų12243.6 Ų43.646%0.4620%0.2SC..THydrogen-bonded Turntrans-76.2-13.4172.5-75178.9-76.3-172-10.6112.9E54 Y55 H56 D60 K273E54-R58 WeakPolarHBondContact O-CB 3.41Å; E54-R58 WeakPolarHBondContact O-CG 3.25Å; E54-R58 PolarHBondContact O-N 3.29Å; E54-R58 VanDerWaalsContact O-N 3.14Å; E54-R58 PolarHBondContact O-NE 2.98Å; E54-R58 IonicContact OE2-NH2 2.84Å; Y55-R58 PolarHBondContact O-N 3.42Å; H56-R58 PolarHBondContact O-N 3.13Å; R58-D60 WeakPolarHBondContact CB-OD2 3.18Å; R58-K273 WeakPolarHBondContact O-CE 3.49Å; R58-K273 PolarHBondContact O-NZ 2.97Å
59G97.1Very high98.5Very high29 Ų2943.4 Ų43.430%0.29920%0.199SC..THydrogen-bonded Turntrans82.216.5-17700000113.8Y55 H56 K57 M272 K273Y55-G59 PolarHBondContact O-N 3.33Å; H56-G59 WeakPolarHBondContact O-CA 3.42Å; H56-G59 PolarHBondContact O-N 2.91Å; K57-G59 VanDerWaalsContact C-N 3.26Å; G59-M272 WeakPolarHBondContact O-CG 3.33Å; G59-K273 VanDerWaalsContact O-CE 3.32Å; G59-K273 WeakPolarHBondContact O-CE 3.5Å; G59-K273 WeakPolarHBondContact O-CG 3.45Å
60D96.8Very high98.5Very high32 Ų3243.2 Ų43.217%0.17120%0.199CC..SBendtrans-88.9-16.7-179.3-58.4-42000112.5Y55 R58 S271 M272 K273Y55-D60 PolarHBondContact O-N 3.47Å; R58-D60 WeakPolarHBondContact CB-OD2 3.18Å; D60-S271 WeakPolarHBondContact CA-OG 3.18Å; D60-S271 WeakPolarHBondContact CB-OG 3.35Å; D60-S271 PolarHBondContact OD1-OG 2.9Å; D60-M272 WeakPolarHBondContact O-CG 3.37Å; D60-M272 PolarHBondContact O-N 3.2Å; D60-K273 WeakPolarHBondContact OD1-CE 3.32Å; D60-K273 IonicContact OD1-NZ 2.94Å; D60-K273 PolarHBondContact OD1-NZ 3.17Å
61L98.4Very high98.5Very high2 Ų238 Ų381%0.0118%0.176CC..  trans-140.7141.5-178.4-176.862000111.2C21 I24 V25 L52 Y55 H56 F63C21-L61 HydrophobicContact CB-CD2 4.21Å; I24-L61 HydrophobicContact CB-CD1 3.87Å; I24-L61 HydrophobicContact CD1-CD1 4.14Å; I24-L61 HydrophobicContact CG2-CD1 3.7Å; V25-L61 HydrophobicContact CG2-CD1 4.13Å; L52-L61 HydrophobicContact CD2-CD2 3.82Å; Y55-L61 PolarHBondContact O-N 2.94Å; H56-L61 WeakPolarHBondContact CA-O 3.47Å; H56-L61 PolarHBondContact ND1-O 2.86Å; L61-F63 HydrophobicContact CD2-CE1 4.45Å; L61-F63 HydrophobicContact CD2-CE2 3.63Å; L61-F63 HydrophobicContact CD2-CZ 3.48Å; L61-F63 VanDerWaalsContact CD2-CZ 3.48Å; L61-F63 HydrophobicContact CG-CE2 3.86Å; L61-F63 HydrophobicContact CG-CZ 4.08Å
62S98.4Very high98.4Very high25 Ų2535.5 Ų35.518%0.17517%0.165CC..  trans-130.9142.3173.91690000110.1K64 D98 M272S62-K64 WeakPolarHBondContact OG-CB 3.27Å; S62-K64 PolarHBondContact OG-N 2.96Å; S62-D98 WeakPolarHBondContact CB-OD2 3.49Å; S62-D98 PolarHBondContact OG-OD1 3.22Å; S62-D98 PolarHBondContact OG-OD2 2.92Å; S62-M272 VanDerWaalsContact CB-SD 3.53Å; S62-M272 PolarHBondContact N-SD 3.13Å; S62-M272 VanDerWaalsContact N-SD 3.39Å
63F98.8Very high98.4Very high0 Ų035.6 Ų35.60%017%0.166CC..  trans-105.36.4177.3-66.1-89.8000112.5I24 L52 H56 L61 Y65 V66 F93 V97 D98 I99I24-F63 HydrophobicContact CD1-CD1 4.43Å; I24-F63 HydrophobicContact CD1-CE1 3.86Å; I24-F63 HydrophobicContact CD1-CZ 4.46Å; L52-F63 HydrophobicContact CB-CZ 4.22Å; L52-F63 HydrophobicContact CD2-CZ 4.4Å; H56-F63 HydrophobicContact CB-CE2 4.4Å; L61-F63 HydrophobicContact CD2-CE1 4.45Å; L61-F63 HydrophobicContact CD2-CE2 3.63Å; L61-F63 HydrophobicContact CD2-CZ 3.48Å; L61-F63 VanDerWaalsContact CD2-CZ 3.48Å; L61-F63 HydrophobicContact CG-CE2 3.86Å; L61-F63 HydrophobicContact CG-CZ 4.08Å; F63-Y65 PolarHBondContact O-N 3.05Å; F63-Y65 VanDerWaalsContact O-N 3.14Å; F63-V66 HydrophobicContact CB-CB 4.28Å; F63-V66 HydrophobicContact CB-CG2 4.36Å; F63-V66 HydrophobicContact CD1-CB 4.1Å; F63-V66 HydrophobicContact CD1-CG1 4.12Å; F63-V66 HydrophobicContact CD1-CG2 3.98Å; F63-V66 WeakPolarHBondContact O-CB 3.19Å; F63-V66 PolarHBondContact O-N 2.93Å; F63-F93 HydrophobicContact CD1-CZ 4.21Å; F63-F93 HydrophobicContact CE1-CE1 4.45Å; F63-F93 AromaticContact CE1-CZ 3.65Å; F63-F93 HydrophobicContact CE1-CZ 3.65Å; F63-F93 HydrophobicContact CE2-CE2 4.42Å; F63-F93 HydrophobicContact CE2-CZ 4.22Å; F63-F93 HydrophobicContact CZ-CE2 4.13Å; F63-F93 AromaticContact CZ-CZ 3.64Å; F63-F93 HydrophobicContact CZ-CZ 3.64Å; F63-V97 HydrophobicContact CB-CG2 4.41Å; F63-V97 HydrophobicContact CD2-CB 3.74Å; F63-V97 HydrophobicContact CD2-CG1 3.9Å; F63-V97 HydrophobicContact CD2-CG2 4.13Å; F63-V97 HydrophobicContact CE2-CB 4.3Å; F63-V97 HydrophobicContact CE2-CG1 3.93Å; F63-V97 HydrophobicContact CG-CB 4.36Å; F63-V97 HydrophobicContact CG-CG2 4.3Å; F63-D98 PolarHBondContact N-OD1 3.41Å; F63-I99 HydrophobicContact CB-CB 3.87Å; F63-I99 HydrophobicContact CB-CG1 4.43Å
64K98.5Very high98.4Very high114 Ų11434.9 Ų34.950%0.49616%0.162SC..THydrogen-bonded Turntrans-53.4-36.8-179.1-179.1174.4-179.9174.10114S62S62-K64 WeakPolarHBondContact OG-CB 3.27Å; S62-K64 PolarHBondContact OG-N 2.96Å
65Y98.8Very high98.3Very high69 Ų6932.4 Ų32.427%0.27115%0.152SC..THydrogen-bonded Turntrans-113.532.3178-58.7-63.5000112.1P29 G30 K31 Y34 F35 F63P29-Y65 WeakPolarHBondContact CB-O 3.23Å; G30-Y65 VanDerWaalsContact C-CD1 3.46Å; K31-Y65 VanDerWaalsContact CA-CE1 3.49Å; K31-Y65 HydrophobicContact CB-CE1 3.88Å; Y34-Y65 VanDerWaalsContact CA-O 3.31Å; Y34-Y65 WeakPolarHBondContact CA-O 3.46Å; Y34-Y65 VanDerWaalsContact CD1-C 3.41Å; Y34-Y65 WeakPolarHBondContact CD1-O 3.31Å; Y34-Y65 HydrophobicContact CE1-CD1 4.11Å; F35-Y65 PolarHBondContact N-O 3.19Å; F63-Y65 PolarHBondContact O-N 3.05Å; F63-Y65 VanDerWaalsContact O-N 3.14Å
66V98.9Very high98.2Very high0 Ų034.9 Ų34.90%018%0.179CC..EExtended strand (participates in β ladder)trans-106.6136.3172.8176.80000108.9I24 F35 L37 F63 T68 N103I24-V66 HydrophobicContact CD1-CG2 4.22Å; I24-V66 HydrophobicContact CG2-CG2 4.19Å; F35-V66 HydrophobicContact CB-CG2 4.39Å; F35-V66 CarbonylContact O-C 3.54Å; F35-V66 VanDerWaalsContact O-CA 3.31Å; F35-V66 WeakPolarHBondContact O-CA 3.5Å; F35-V66 WeakPolarHBondContact O-CG1 3.39Å; L37-V66 HydrophobicContact CB-CG1 4.11Å; L37-V66 HydrophobicContact CD2-CG1 4.42Å; F63-V66 HydrophobicContact CB-CB 4.28Å; F63-V66 HydrophobicContact CB-CG2 4.36Å; F63-V66 HydrophobicContact CD1-CB 4.1Å; F63-V66 HydrophobicContact CD1-CG1 4.12Å; F63-V66 HydrophobicContact CD1-CG2 3.98Å; F63-V66 WeakPolarHBondContact O-CB 3.19Å; F63-V66 PolarHBondContact O-N 2.93Å; V66-T68 HydrophobicContact CG1-CG2 4.08Å; V66-N103 WeakPolarHBondContact O-CB 3.3Å
67K98.9Very high98.1Very high47 Ų4733.6 Ų33.620%0.20417%0.173CC..EExtended strand (participates in β ladder)trans-106.1131.8166.3-72179.6176.6-173.80108.9Y34 F35 S36 L37 F69 N103 A128Y34-K67 HydrophobicContact CD1-CD 4.33Å; Y34-K67 HydrophobicContact CD1-CG 3.79Å; Y34-K67 HydrophobicContact CG-CD 4.23Å; Y34-K67 HydrophobicContact CG-CG 4.13Å; F35-K67 PolarHBondContact O-N 3.11Å; S36-K67 CarbonylContact C-O 3.47Å; S36-K67 WeakPolarHBondContact CA-O 3.28Å; L37-K67 PolarHBondContact N-O 3.05Å; K67-F69 HydrophobicContact CB-CE2 3.98Å; K67-N103 CarbonylContact C-O 3.56Å; K67-N103 VanDerWaalsContact CA-O 3.26Å; K67-N103 WeakPolarHBondContact CA-O 3.38Å; K67-N103 WeakPolarHBondContact CE-OD1 3.49Å; K67-N103 HydrophobicContact CG-CB 3.89Å; K67-A128 HydrophobicContact CD-CB 3.99Å
68T98.9Very high98.1Very high0 Ų029.4 Ų29.40%016%0.161CC..EExtended strand (participates in β ladder)trans-110.8144.8177.860.40000111.7L37 L39 V66 F94 I99 N103 A104 H105L37-T68 HydrophobicContact CB-CG2 4.41Å; L37-T68 CarbonylContact O-C 3.59Å; L37-T68 VanDerWaalsContact O-CA 3.23Å; L37-T68 WeakPolarHBondContact O-CA 3.16Å; L39-T68 HydrophobicContact CD1-CG2 3.59Å; L39-T68 HydrophobicContact CG-CG2 4.41Å; V66-T68 HydrophobicContact CG1-CG2 4.08Å; T68-F94 HydrophobicContact CG2-CE1 4.17Å; T68-F94 WeakPolarHBondContact OG1-CZ 3.39Å; T68-I99 HydrophobicContact CG2-CD1 3.61Å; T68-N103 PolarHBondContact N-O 2.84Å; T68-A104 WeakPolarHBondContact OG1-CA 3.42Å; T68-H105 WeakPolarHBondContact O-CA 3.47Å; T68-H105 VanDerWaalsContact O-CB 3.31Å; T68-H105 WeakPolarHBondContact O-CB 3.43Å; T68-H105 PolarHBondContact O-CD2 3.28Å; T68-H105 VanDerWaalsContact O-CD2 3.27Å; T68-H105 PolarHBondContact O-N 2.66Å
69F98.9Very high98.1Very high1 Ų129.4 Ų29.40%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-132.7108.8176.4-64.9-92.2000108.6L37 G38 L39 K67 H105 F121 K124 I125 A128 I131L37-F69 PolarHBondContact O-N 2.77Å; G38-F69 CarbonylContact C-O 3.59Å; G38-F69 VanDerWaalsContact CA-O 3.26Å; G38-F69 WeakPolarHBondContact CA-O 3.24Å; L39-F69 PolarHBondContact N-O 2.71Å; K67-F69 HydrophobicContact CB-CE2 3.98Å; F69-H105 WeakPolarHBondContact CA-O 3.19Å; F69-H105 HydrophobicContact CD1-CB 3.74Å; F69-H105 AromaticContact CD1-CD2 3.86Å; F69-H105 HydrophobicContact CE1-CB 3.96Å; F69-H105 AromaticContact CE1-CD2 3.35Å; F69-H105 WeakPolarHBondContact CE1-CD2 3.3Å; F69-H105 AromaticContact CE1-CG 3.79Å; F69-H105 AromaticContact CE2-CD2 3.95Å; F69-H105 HydrophobicContact CG-CB 4.41Å; F69-H105 AromaticContact CZ-CD2 3.4Å; F69-H105 VanDerWaalsContact CZ-CD2 3.4Å; F69-H105 WeakPolarHBondContact CZ-CD2 3.22Å; F69-H105 AromaticContact CZ-NE2 3.98Å; F69-F121 HydrophobicContact CB-CE1 4.36Å; F69-F121 HydrophobicContact CB-CZ 4.04Å; F69-F121 HydrophobicContact CD1-CE1 4.27Å; F69-F121 HydrophobicContact CD1-CE2 4.37Å; F69-F121 AromaticContact CD1-CZ 3.95Å; F69-F121 HydrophobicContact CD1-CZ 3.95Å; F69-K124 HydrophobicContact CE1-CB 4.02Å; F69-I125 HydrophobicContact CD1-CD1 4.35Å; F69-I125 HydrophobicContact CD1-CG1 3.47Å; F69-I125 VanDerWaalsContact CD1-CG1 3.47Å; F69-I125 HydrophobicContact CE1-CB 4.43Å; F69-I125 HydrophobicContact CE1-CG1 3.67Å; F69-I125 HydrophobicContact CG-CG1 3.98Å; F69-I125 HydrophobicContact CZ-CG1 4.34Å; F69-A128 HydrophobicContact CE2-CB 3.97Å; F69-A128 HydrophobicContact CZ-CB 3.74Å; F69-I131 HydrophobicContact CB-CD1 4.07Å; F69-I131 HydrophobicContact CD2-CD1 3.4Å; F69-I131 HydrophobicContact CE2-CD1 3.99Å; F69-I131 HydrophobicContact CG-CD1 3.85Å
70N98.8Very high98.1Very high0 Ų034.6 Ų34.60%018%0.182CC..EExtended strand (participates in β ladder)trans-75.1149.9176.8-87.877.2000111.9L39 D72 M89 H105 I106 F121L39-N70 WeakPolarHBondContact O-CA 3.42Å; L39-N70 PolarHBondContact O-ND2 3.07Å; N70-D72 VanDerWaalsContact C-N 3.34Å; N70-D72 PolarHBondContact O-N 2.83Å; N70-M89 WeakPolarHBondContact ND2-CG 3.47Å; N70-M89 PolarHBondContact ND2-SD 2.89Å; N70-H105 PolarHBondContact N-O 2.79Å; N70-I106 HydrophobicContact CB-CB 4.32Å; N70-I106 HydrophobicContact CB-CG1 3.91Å; N70-I106 HydrophobicContact CB-CG2 4.18Å; N70-F121 WeakPolarHBondContact O-CZ 3.19Å
71M98.4Very high98.1Very high12 Ų1235.8 Ų35.86%0.05919%0.187CC..SBendtrans-65.5-33-177.9-70.2-174-38.200114.2L39 P40 F134 I144 A145 T187 V188L39-M71 PolarHBondContact O-N 3.27Å; L39-M71 VanDerWaalsContact O-N 3.12Å; P40-M71 HydrophobicContact CB-CE 3.37Å; P40-M71 HydrophobicContact CB-SD 4.02Å; M71-F134 HydrophobicContact CG-CE1 3.34Å; M71-F134 HydrophobicContact CG-CZ 3.63Å; M71-F134 HydrophobicContact SD-CE1 3.88Å; M71-I144 HydrophobicContact SD-CD1 3.97Å; M71-A145 HydrophobicContact CB-CB 3.73Å; M71-A145 HydrophobicContact CE-CB 4.26Å; M71-A145 HydrophobicContact CG-CB 4.23Å; M71-A145 HydrophobicContact SD-CB 4.1Å; M71-T187 CarbonylContact O-C 3.56Å; M71-T187 WeakPolarHBondContact O-CA 3.45Å; M71-V188 HydrophobicContact CB-CG2 4.11Å; M71-V188 HydrophobicContact CG-CG2 4.28Å; M71-V188 WeakPolarHBondContact O-CG2 3.39Å; M71-V188 PolarHBondContact O-N 3.28Å
72D98.2Very high98Very high4 Ų439.9 Ų39.92%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-164.2165.8-164.532.250.7000113N70 Y85 A145 F146 L186N70-D72 VanDerWaalsContact C-N 3.34Å; N70-D72 PolarHBondContact O-N 2.83Å; D72-Y85 HydrophobicContact CB-CE2 4.49Å; D72-Y85 WeakPolarHBondContact O-CD2 3.43Å; D72-Y85 WeakPolarHBondContact OD1-CD2 3.27Å; D72-Y85 WeakPolarHBondContact OD1-CE2 3.44Å; D72-A145 VanDerWaalsContact OD2-CA 3.24Å; D72-A145 WeakPolarHBondContact OD2-CA 3.38Å; D72-A145 VanDerWaalsContact OD2-CB 3.31Å; D72-A145 WeakPolarHBondContact OD2-CB 3.43Å; D72-F146 HydrophobicContact CB-CD2 3.46Å; D72-F146 VanDerWaalsContact CB-CD2 3.46Å; D72-F146 HydrophobicContact CB-CE2 3.72Å; D72-L186 CarbonylContact C-O 3.58Å; D72-L186 WeakPolarHBondContact CA-O 3.41Å; D72-L186 VanDerWaalsContact CB-O 3.23Å; D72-L186 WeakPolarHBondContact CB-O 3.49Å
73E98.5Very high97.9Very high2 Ų241.9 Ų41.91%0.00922%0.22CC..EExtended strand (participates in β ladder)trans-154.4147.3167-179.857.3-86.400110.1Y85 H86 I106 L107 A185 L186E73-Y85 PolarHBondContact OE1-N 3.12Å; E73-Y85 WeakPolarHBondContact OE2-CA 3.39Å; E73-Y85 WeakPolarHBondContact OE2-CB 3.43Å; E73-Y85 PolarHBondContact OE2-N 3.11Å; E73-H86 IonicContact OE2-CD2 3.39Å; E73-H86 PolarHBondContact OE2-CD2 2.81Å; E73-H86 IonicContact OE2-CG 2.75Å; E73-H86 PolarHBondContact OE2-N 2.9Å; E73-I106 HydrophobicContact CB-CG2 4.18Å; E73-L107 HydrophobicContact CB-CB 4.21Å; E73-L107 WeakPolarHBondContact CB-O 3.4Å; E73-A185 CarbonylContact O-C 3.57Å; E73-A185 VanDerWaalsContact O-CA 3.27Å; E73-A185 WeakPolarHBondContact O-CA 3.25Å; E73-A185 WeakPolarHBondContact O-CB 3.31Å; E73-L186 PolarHBondContact N-O 2.95Å; E73-L186 PolarHBondContact O-N 3.45Å
74Y98.1Very high97.9Very high3 Ų341.9 Ų41.91%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-67.3140.5174.6-68.9-62.7000112.6L77 Y85 G109 F146 L162 N170 F174 P182Y74-L77 HydrophobicContact CD2-CD2 3.84Å; Y74-L77 HydrophobicContact CG-CD2 4.4Å; Y74-Y85 HydrophobicContact CD2-CE1 4.44Å; Y74-Y85 HydrophobicContact CE2-CD1 4.29Å; Y74-Y85 AromaticContact CE2-CE1 3.75Å; Y74-Y85 HydrophobicContact CE2-CE1 3.75Å; Y74-Y85 AromaticContact CE2-CZ 3.98Å; Y74-G109 WeakPolarHBondContact O-CA 3.4Å; Y74-F146 HydrophobicContact CE1-CE2 4.48Å; Y74-F146 AromaticContact CE1-CZ 3.93Å; Y74-F146 HydrophobicContact CE1-CZ 3.93Å; Y74-L162 HydrophobicContact CD1-CD1 4.27Å; Y74-L162 HydrophobicContact CE1-CD1 3.83Å; Y74-N170 PolarHBondContact OH-ND2 3.05Å; Y74-F174 HydrophobicContact CD2-CZ 4.46Å; Y74-F174 HydrophobicContact CE2-CE2 4.32Å; Y74-F174 HydrophobicContact CE2-CZ 4.03Å; Y74-P182 HydrophobicContact CD1-CB 3.71Å; Y74-P182 HydrophobicContact CD1-CG 3.86Å; Y74-P182 HydrophobicContact CD2-CG 4.37Å; Y74-P182 HydrophobicContact CG-CB 3.99Å; Y74-P182 HydrophobicContact CG-CG 3.76Å
75V98.1Very high97.9Very high22 Ų2237.9 Ų37.913%0.13320%0.202CC..THydrogen-bonded Turntrans-82.5135.2174.7171.90000110.8L77 G109 L114 L159 M184 L186V75-L77 PolarHBondContact O-N 3.23Å; V75-G109 CarbonylContact C-O 3.56Å; V75-G109 VanDerWaalsContact CA-O 3.27Å; V75-G109 WeakPolarHBondContact CA-O 3.27Å; V75-L114 HydrophobicContact CG1-CD1 3.75Å; V75-L114 HydrophobicContact CG1-CD2 4.41Å; V75-L114 HydrophobicContact CG2-CD1 4.19Å; V75-L114 HydrophobicContact CG2-CD2 4.42Å; V75-L159 HydrophobicContact CG2-CD1 3.68Å; V75-M184 HydrophobicContact CB-CB 4.06Å; V75-M184 HydrophobicContact CG1-CE 4.32Å; V75-M184 HydrophobicContact CG2-CB 4.33Å; V75-M184 PolarHBondContact N-O 3.35Å; V75-L186 HydrophobicContact CG2-CD2 3.79Å; V75-L186 HydrophobicContact CG2-CG 3.84Å
76G96.4Very high97.9Very high56 Ų5636.2 Ų36.258%0.57720%0.197SC*.THydrogen-bonded Turntrans74.64175.800000115.3G109 N110G76-G109 PolarHBondContact N-O 3.46Å; G76-N110 WeakPolarHBondContact CA-OD1 3.33Å
77L96.6Very high97.9Very high15 Ų1536.8 Ų36.88%0.07920%0.201CC..SBendtrans-89.3128174.3-164.568.3000109.4Y74 V75 R79 H81 N110 F174 P182Y74-L77 HydrophobicContact CD2-CD2 3.84Å; Y74-L77 HydrophobicContact CG-CD2 4.4Å; V75-L77 PolarHBondContact O-N 3.23Å; L77-R79 PolarHBondContact O-N 3.32Å; L77-H81 HydrophobicContact CD1-CB 4.22Å; L77-H81 HydrophobicContact CD2-CB 4.27Å; L77-H81 HydrophobicContact CG-CB 3.86Å; L77-N110 PolarHBondContact O-ND2 3.01Å; L77-N110 PolarHBondContact O-OD1 3.41Å; L77-F174 HydrophobicContact CD1-CE1 4.16Å; L77-F174 HydrophobicContact CD2-CE1 4.21Å; L77-F174 HydrophobicContact CD2-CZ 4.22Å; L77-P182 HydrophobicContact CB-CG 4.23Å; L77-P182 HydrophobicContact CD1-CG 4.24Å; L77-P182 HydrophobicContact CD2-CG 4.36Å
78P97.8Very high97.8Very high62 Ų6236.2 Ų36.240%0.40320%0.197SC..  trans-53.8136.6-179.8-26.633.9000111.7N80 H81P78-N80 PolarHBondContact O-N 3.33Å; P78-N80 VanDerWaalsContact O-N 3.07Å; P78-H81 HydrophobicContact CB-CB 4.22Å; P78-H81 WeakPolarHBondContact O-CB 3.19Å; P78-H81 PolarHBondContact O-N 3.44Å
79R97.1Very high97.8Very high123 Ų12336.2 Ų36.246%0.46420%0.197SC..THydrogen-bonded Turntrans-53.2-36.1-178178.7174.5-80.6167.55.3112.9L77 S84 H86 S87 D108L77-R79 PolarHBondContact O-N 3.32Å; R79-S84 PolarHBondContact O-OG 3.44Å; R79-H86 HydrophobicContact CG-CB 3.71Å; R79-H86 PolarHBondContact NE-CE1 3.4Å; R79-H86 VanDerWaalsContact NE-CE1 3.28Å; R79-H86 PolarHBondContact NE-ND1 3.19Å; R79-S87 PolarHBondContact O-OG 3.06Å; R79-D108 IonicContact NH2-OD1 3.55Å; R79-D108 IonicContact NH2-OD2 3.9Å; R79-D108 PolarHBondContact NH2-OD2 3.32Å
80N96.7Very high97.8Very high137 Ų13742.6 Ų42.673%0.73322%0.221SC*.THydrogen-bonded Turntrans-90.43.8179.268-20.5000114.3P78P78-N80 PolarHBondContact O-N 3.33Å; P78-N80 VanDerWaalsContact O-N 3.07Å
81H97.7Very high97.8Very high58 Ų5845.8 Ų45.827%0.26924%0.238SC..SBendtrans-60.2137.7173.5-171.5-85.1000109.2L77 P78 E83 S84 S87L77-H81 HydrophobicContact CD1-CB 4.22Å; L77-H81 HydrophobicContact CD2-CB 4.27Å; L77-H81 HydrophobicContact CG-CB 3.86Å; P78-H81 HydrophobicContact CB-CB 4.22Å; P78-H81 WeakPolarHBondContact O-CB 3.19Å; P78-H81 PolarHBondContact O-N 3.44Å; H81-E83 PolarHBondContact ND1-N 3.26Å; H81-E83 VanDerWaalsContact ND1-N 3.15Å; H81-E83 PolarHBondContact O-N 2.87Å; H81-E83 VanDerWaalsContact O-N 3.13Å; H81-S84 WeakPolarHBondContact O-CB 3.38Å; H81-S84 PolarHBondContact O-N 3.22Å; H81-S84 PolarHBondContact O-OG 2.95Å; H81-S87 WeakPolarHBondContact O-CB 3.28Å; H81-S87 PolarHBondContact O-OG 2.94Å
82P96.2Very high97.8Very high88 Ų8847.8 Ų47.857%0.57125%0.249SC*.THydrogen-bonded Turntrans-56.2-33.7-175.519.9-33000113.7
83E96.1Very high97.8Very high67 Ų6747.6 Ų47.631%0.31325%0.248SC..THydrogen-bonded Turntrans-92.34-180-52.3-53139.800114.9H81 Y173 F174H81-E83 PolarHBondContact ND1-N 3.26Å; H81-E83 VanDerWaalsContact ND1-N 3.15Å; H81-E83 PolarHBondContact O-N 2.87Å; H81-E83 VanDerWaalsContact O-N 3.13Å; E83-Y173 WeakPolarHBondContact CG-O 3.44Å; E83-Y173 WeakPolarHBondContact OE2-CB 3.3Å; E83-F174 HydrophobicContact CB-CE1 4.07Å; E83-F174 HydrophobicContact CB-CE2 4.49Å; E83-F174 HydrophobicContact CB-CZ 3.9Å
84S98.1Very high97.9Very high0 Ų048.1 Ų48.10%025%0.251CS..SBendtrans-67.3150.2169.672.90000110.1R79 H81 H86 S87 Y88R79-S84 PolarHBondContact O-OG 3.44Å; H81-S84 WeakPolarHBondContact O-CB 3.38Å; H81-S84 PolarHBondContact O-N 3.22Å; H81-S84 PolarHBondContact O-OG 2.95Å; S84-H86 VanDerWaalsContact C-N 3.27Å; S84-H86 PolarHBondContact O-N 2.99Å; S84-S87 PolarHBondContact O-N 2.84Å; S84-S87 VanDerWaalsContact OG-CB 3.29Å; S84-S87 WeakPolarHBondContact OG-CB 3.39Å; S84-S87 PolarHBondContact OG-N 2.74Å; S84-S87 PolarHBondContact OG-OG 2.78Å; S84-S87 VanDerWaalsContact OG-OG 3.08Å; S84-Y88 PolarHBondContact O-N 3.49Å
85Y98.3Very high97.9Very high30 Ų3052.7 Ų52.712%0.11827%0.27CS..Hα-helixtrans-71.4-25.9176.2-69.9-5.5000112.1T41 D72 E73 Y74 Y88 M89 F146T41-Y85 HydrophobicContact CG2-CD1 4.12Å; T41-Y85 HydrophobicContact CG2-CD2 3.96Å; T41-Y85 HydrophobicContact CG2-CG 3.73Å; T41-Y85 WeakPolarHBondContact OG1-CE1 3.44Å; T41-Y85 VanDerWaalsContact OG1-CE2 3.3Å; T41-Y85 WeakPolarHBondContact OG1-CE2 3.33Å; T41-Y85 VanDerWaalsContact OG1-CZ 3.28Å; D72-Y85 HydrophobicContact CB-CE2 4.49Å; D72-Y85 WeakPolarHBondContact O-CD2 3.43Å; D72-Y85 WeakPolarHBondContact OD1-CD2 3.27Å; D72-Y85 WeakPolarHBondContact OD1-CE2 3.44Å; E73-Y85 PolarHBondContact OE1-N 3.12Å; E73-Y85 WeakPolarHBondContact OE2-CA 3.39Å; E73-Y85 WeakPolarHBondContact OE2-CB 3.43Å; E73-Y85 PolarHBondContact OE2-N 3.11Å; Y74-Y85 HydrophobicContact CD2-CE1 4.44Å; Y74-Y85 HydrophobicContact CE2-CD1 4.29Å; Y74-Y85 AromaticContact CE2-CE1 3.75Å; Y74-Y85 HydrophobicContact CE2-CE1 3.75Å; Y74-Y85 AromaticContact CE2-CZ 3.98Å; Y85-Y88 PolarHBondContact O-N 3.08Å; Y85-M89 WeakPolarHBondContact O-CB 3.41Å; Y85-M89 VanDerWaalsContact O-CG 3.31Å; Y85-M89 WeakPolarHBondContact O-CG 3.38Å; Y85-M89 PolarHBondContact O-N 3.09Å; Y85-F146 AromaticContact CE2-CE2 3.81Å; Y85-F146 HydrophobicContact CE2-CE2 3.81Å; Y85-F146 AromaticContact CE2-CZ 3.95Å; Y85-F146 HydrophobicContact CE2-CZ 3.95Å; Y85-F146 WeakPolarHBondContact OH-CZ 3.4Å
86H98.6Very high97.9Very high34 Ų3454.8 Ų54.816%0.15728%0.279CS..Hα-helixtrans-54.1-53.2162.8-81.3-86.9000112E73 R79 S84 M89 W90 L107E73-H86 IonicContact OE2-CD2 3.39Å; E73-H86 PolarHBondContact OE2-CD2 2.81Å; E73-H86 IonicContact OE2-CG 2.75Å; E73-H86 PolarHBondContact OE2-N 2.9Å; R79-H86 HydrophobicContact CG-CB 3.71Å; R79-H86 PolarHBondContact NE-CE1 3.4Å; R79-H86 VanDerWaalsContact NE-CE1 3.28Å; R79-H86 PolarHBondContact NE-ND1 3.19Å; S84-H86 VanDerWaalsContact C-N 3.27Å; S84-H86 PolarHBondContact O-N 2.99Å; H86-M89 PolarHBondContact O-N 3.14Å; H86-W90 WeakPolarHBondContact O-CB 3.32Å; H86-W90 PolarHBondContact O-N 3.22Å; H86-L107 PolarHBondContact NE2-O 3.29Å
87S98.4Very high98Very high12 Ų1252.8 Ų52.88%0.08426%0.256CS..Hα-helixtrans-66.1-41178.2-71.40000112.1R79 H81 S84 N91R79-S87 PolarHBondContact O-OG 3.06Å; H81-S87 WeakPolarHBondContact O-CB 3.28Å; H81-S87 PolarHBondContact O-OG 2.94Å; S84-S87 PolarHBondContact O-N 2.84Å; S84-S87 VanDerWaalsContact OG-CB 3.29Å; S84-S87 WeakPolarHBondContact OG-CB 3.39Å; S84-S87 PolarHBondContact OG-N 2.74Å; S84-S87 PolarHBondContact OG-OG 2.78Å; S84-S87 VanDerWaalsContact OG-OG 3.08Å; S87-N91 WeakPolarHBondContact O-CB 3.39Å; S87-N91 VanDerWaalsContact O-CG 3.3Å; S87-N91 PolarHBondContact O-N 3.45Å; S87-N91 PolarHBondContact O-ND2 2.57Å
88Y98.6Very high98.1Very high35 Ų3555 Ų5514%0.13727%0.268CS..Hα-helixtrans-57-53.2176.3176-80.7000110.6T41 G42 Y49 S84 Y85 N91 N92T41-Y88 HydrophobicContact CG2-CD1 3.67Å; T41-Y88 HydrophobicContact CG2-CE1 4.1Å; T41-Y88 HydrophobicContact CG2-CG 4.3Å; G42-Y88 PolarHBondContact O-OH 3.21Å; Y49-Y88 HydrophobicContact CD2-CE1 4.41Å; Y49-Y88 HydrophobicContact CE2-CE1 4Å; S84-Y88 PolarHBondContact O-N 3.49Å; Y85-Y88 PolarHBondContact O-N 3.08Å; Y88-N91 PolarHBondContact O-N 3.22Å; Y88-N92 WeakPolarHBondContact CD2-ND2 3.45Å; Y88-N92 HydrophobicContact CE1-CB 4.43Å; Y88-N92 VanDerWaalsContact O-CB 3.25Å; Y88-N92 WeakPolarHBondContact O-CB 3.46Å; Y88-N92 PolarHBondContact O-N 3.13Å; Y88-N92 PolarHBondContact O-ND2 3.09Å
89M98.8Very high98.2Very high0 Ų052.7 Ų52.70%025%0.252CS..Hα-helixtrans-67.9-41.1-175.5-71.6-56.2-64.500111.8L39 T41 Y49 N70 Y85 H86 F93 F94 I106L39-M89 HydrophobicContact CB-CE 4.2Å; L39-M89 HydrophobicContact CD1-CE 3.66Å; T41-M89 HydrophobicContact CG2-CG 4.17Å; T41-M89 HydrophobicContact CG2-SD 4.01Å; Y49-M89 HydrophobicContact CE1-CE 4.29Å; Y49-M89 HydrophobicContact CE2-SD 4.31Å; N70-M89 WeakPolarHBondContact ND2-CG 3.47Å; N70-M89 PolarHBondContact ND2-SD 2.89Å; Y85-M89 WeakPolarHBondContact O-CB 3.41Å; Y85-M89 VanDerWaalsContact O-CG 3.31Å; Y85-M89 WeakPolarHBondContact O-CG 3.38Å; Y85-M89 PolarHBondContact O-N 3.09Å; H86-M89 PolarHBondContact O-N 3.14Å; M89-F93 HydrophobicContact CE-CB 4.44Å; M89-F93 HydrophobicContact CE-CD1 4.01Å; M89-F93 CarbonylContact O-C 3.52Å; M89-F93 WeakPolarHBondContact O-CA 3.33Å; M89-F93 PolarHBondContact O-N 2.81Å; M89-F94 HydrophobicContact CB-CD2 3.78Å; M89-F94 HydrophobicContact CB-CE2 3.49Å; M89-F94 VanDerWaalsContact CB-CE2 3.49Å; M89-F94 HydrophobicContact CB-CZ 4.02Å; M89-F94 HydrophobicContact CE-CD1 4.37Å; M89-F94 HydrophobicContact CE-CE1 3.57Å; M89-F94 HydrophobicContact CE-CE2 4.09Å; M89-F94 HydrophobicContact CE-CZ 3.39Å; M89-F94 HydrophobicContact CG-CE2 4.22Å; M89-F94 HydrophobicContact CG-CZ 4.38Å; M89-F94 PolarHBondContact O-N 3.36Å; M89-I106 HydrophobicContact CB-CD1 3.88Å; M89-I106 HydrophobicContact CG-CD1 3.96Å
90W98.6Very high98.2Very high134 Ų13450 Ų5051%0.50825%0.247SC..Hα-helixtrans-60.2-49.4175-177.2-111.3000111.7H86 F94 K95H86-W90 WeakPolarHBondContact O-CB 3.32Å; H86-W90 PolarHBondContact O-N 3.22Å; W90-F94 HydrophobicContact CE3-CB 3.97Å; W90-F94 HydrophobicContact CZ3-CB 4.37Å; W90-K95 HydrophobicContact CD2-CB 3.96Å; W90-K95 HydrophobicContact CE3-CB 4.28Å; W90-K95 HydrophobicContact CH2-CB 4.08Å; W90-K95 HydrophobicContact CZ2-CB 3.76Å; W90-K95 HydrophobicContact CZ3-CB 4.33Å; W90-K95 WeakPolarHBondContact O-CB 3.42Å; W90-K95 WeakPolarHBondContact O-CD 3.34Å; W90-K95 WeakPolarHBondContact O-CG 3.28Å; W90-K95 PolarHBondContact O-N 2.79Å
91N98.6Very high98.2Very high67 Ų6747.7 Ų47.736%0.35824%0.239SC..Hα-helixtrans-75.7-33.4-173-73.4-45.3000114.1S87 Y88 K95 H96S87-N91 WeakPolarHBondContact O-CB 3.39Å; S87-N91 VanDerWaalsContact O-CG 3.3Å; S87-N91 PolarHBondContact O-N 3.45Å; S87-N91 PolarHBondContact O-ND2 2.57Å; Y88-N91 PolarHBondContact O-N 3.22Å; N91-K95 WeakPolarHBondContact O-CE 3.46Å; N91-K95 PolarHBondContact OD1-NZ 2.82Å; N91-H96 PolarHBondContact O-NE2 3.34Å
92N98.7Very high98.2Very high54 Ų5451 Ų5129%0.28926%0.258SS..Hα-helixtrans-99.1-15.2-174.6-63.8-65000113.6L46 I53 Y88L46-N92 HydrophobicContact CD1-CB 3.85Å; I53-N92 WeakPolarHBondContact CD1-O 3.38Å; Y88-N92 WeakPolarHBondContact CD2-ND2 3.45Å; Y88-N92 HydrophobicContact CE1-CB 4.43Å; Y88-N92 VanDerWaalsContact O-CB 3.25Å; Y88-N92 WeakPolarHBondContact O-CB 3.46Å; Y88-N92 PolarHBondContact O-N 3.13Å; Y88-N92 PolarHBondContact O-ND2 3.09Å
93F98.9Very high98.4Very high0 Ų047.6 Ų47.60%024%0.235CC..THydrogen-bonded Turntrans-141.9-67.7-177.1-170.3-134.4000114.5L39 Y49 L52 I53 F63 M89 K95 H96 V97L39-F93 HydrophobicContact CD1-CD1 4.14Å; L39-F93 HydrophobicContact CD1-CE1 3.91Å; Y49-F93 HydrophobicContact CD1-CB 3.94Å; Y49-F93 AromaticContact CD1-CD1 3.78Å; Y49-F93 HydrophobicContact CD1-CD1 3.78Å; Y49-F93 AromaticContact CD1-CD2 3.63Å; Y49-F93 HydrophobicContact CD1-CD2 3.63Å; Y49-F93 HydrophobicContact CD1-CE1 4.17Å; Y49-F93 HydrophobicContact CD1-CE2 4.04Å; Y49-F93 AromaticContact CD1-CG 3.5Å; Y49-F93 HydrophobicContact CD1-CG 3.5Å; Y49-F93 HydrophobicContact CD1-CZ 4.3Å; Y49-F93 HydrophobicContact CE1-CB 4.38Å; Y49-F93 AromaticContact CE1-CD1 3.75Å; Y49-F93 HydrophobicContact CE1-CD1 3.75Å; Y49-F93 HydrophobicContact CE1-CD2 4.43Å; Y49-F93 HydrophobicContact CE1-CE1 4.1Å; Y49-F93 AromaticContact CE1-CG 3.95Å; Y49-F93 HydrophobicContact CE1-CG 3.95Å; Y49-F93 HydrophobicContact CG-CB 4.1Å; Y49-F93 HydrophobicContact CG-CD2 4.22Å; Y49-F93 HydrophobicContact CG-CG 4.12Å; L52-F93 HydrophobicContact CB-CE2 3.92Å; L52-F93 HydrophobicContact CD1-CE2 4.24Å; L52-F93 HydrophobicContact CD1-CZ 4.19Å; I53-F93 HydrophobicContact CD1-CD2 4.35Å; I53-F93 HydrophobicContact CG1-CD2 4.04Å; I53-F93 HydrophobicContact CG1-CE2 4.44Å; F63-F93 HydrophobicContact CD1-CZ 4.21Å; F63-F93 HydrophobicContact CE1-CE1 4.45Å; F63-F93 AromaticContact CE1-CZ 3.65Å; F63-F93 HydrophobicContact CE1-CZ 3.65Å; F63-F93 HydrophobicContact CE2-CE2 4.42Å; F63-F93 HydrophobicContact CE2-CZ 4.22Å; F63-F93 HydrophobicContact CZ-CE2 4.13Å; F63-F93 AromaticContact CZ-CZ 3.64Å; F63-F93 HydrophobicContact CZ-CZ 3.64Å; M89-F93 HydrophobicContact CE-CB 4.44Å; M89-F93 HydrophobicContact CE-CD1 4.01Å; M89-F93 CarbonylContact O-C 3.52Å; M89-F93 WeakPolarHBondContact O-CA 3.33Å; M89-F93 PolarHBondContact O-N 2.81Å; F93-K95 PolarHBondContact O-N 2.81Å; F93-H96 WeakPolarHBondContact O-CB 3.16Å; F93-H96 PolarHBondContact O-N 2.87Å; F93-V97 HydrophobicContact CD2-CG1 4.32Å; F93-V97 HydrophobicContact CE2-CG1 3.9Å; F93-V97 HydrophobicContact CE2-CG2 4.41Å; F93-V97 HydrophobicContact CZ-CG2 4.48Å
94F98.8Very high98.5Very high14 Ų1445.6 Ų45.66%0.06123%0.23CC..G310 helixtrans-61.1-38.7-163-61.3-30.7000114.3L39 T68 M89 W90 H96 V97 I99 A104 I106L39-F94 HydrophobicContact CD1-CE1 4.1Å; L39-F94 HydrophobicContact CD1-CZ 4.46Å; T68-F94 HydrophobicContact CG2-CE1 4.17Å; T68-F94 WeakPolarHBondContact OG1-CZ 3.39Å; M89-F94 HydrophobicContact CB-CD2 3.78Å; M89-F94 HydrophobicContact CB-CE2 3.49Å; M89-F94 VanDerWaalsContact CB-CE2 3.49Å; M89-F94 HydrophobicContact CB-CZ 4.02Å; M89-F94 HydrophobicContact CE-CD1 4.37Å; M89-F94 HydrophobicContact CE-CE1 3.57Å; M89-F94 HydrophobicContact CE-CE2 4.09Å; M89-F94 HydrophobicContact CE-CZ 3.39Å; M89-F94 HydrophobicContact CG-CE2 4.22Å; M89-F94 HydrophobicContact CG-CZ 4.38Å; M89-F94 PolarHBondContact O-N 3.36Å; W90-F94 HydrophobicContact CE3-CB 3.97Å; W90-F94 HydrophobicContact CZ3-CB 4.37Å; F94-H96 PolarHBondContact O-N 3.39Å; F94-H96 VanDerWaalsContact O-N 3.13Å; F94-V97 PolarHBondContact O-N 3.47Å; F94-I99 HydrophobicContact CB-CG2 4.21Å; F94-I99 HydrophobicContact CD1-CG2 4.19Å; F94-I99 HydrophobicContact CG-CG2 4.45Å; F94-A104 HydrophobicContact CD2-CB 4.11Å; F94-A104 HydrophobicContact CE2-CB 3.84Å; F94-A104 HydrophobicContact CZ-CB 4.09Å; F94-I106 HydrophobicContact CE2-CD1 4.05Å; F94-I106 HydrophobicContact CE2-CG1 4.48Å
95K98.4Very high98.5Very high98 Ų9847.3 Ų47.343%0.42624%0.238SC..G310 helixtrans-70.1-8.1179.480.7-171.6178.9-175.60114.6W90 N91 F93W90-K95 HydrophobicContact CD2-CB 3.96Å; W90-K95 HydrophobicContact CE3-CB 4.28Å; W90-K95 HydrophobicContact CH2-CB 4.08Å; W90-K95 HydrophobicContact CZ2-CB 3.76Å; W90-K95 HydrophobicContact CZ3-CB 4.33Å; W90-K95 WeakPolarHBondContact O-CB 3.42Å; W90-K95 WeakPolarHBondContact O-CD 3.34Å; W90-K95 WeakPolarHBondContact O-CG 3.28Å; W90-K95 PolarHBondContact O-N 2.79Å; N91-K95 WeakPolarHBondContact O-CE 3.46Å; N91-K95 PolarHBondContact OD1-NZ 2.82Å; F93-K95 PolarHBondContact O-N 2.81Å
96H98.8Very high98.5Very high66 Ų6646.8 Ų46.831%0.30624%0.237SC..G310 helixtrans-1071.4-175.9-55.7-78.8000113.4I53 N91 F93 F94I53-H96 HydrophobicContact CD1-CB 3.72Å; I53-H96 HydrophobicContact CG1-CB 3.82Å; I53-H96 HydrophobicContact CG2-CB 3.87Å; N91-H96 PolarHBondContact O-NE2 3.34Å; F93-H96 WeakPolarHBondContact O-CB 3.16Å; F93-H96 PolarHBondContact O-N 2.87Å; F94-H96 PolarHBondContact O-N 3.39Å; F94-H96 VanDerWaalsContact O-N 3.13Å
97V98.8Very high98.5Very high15 Ų1545.1 Ų45.19%0.09123%0.23CC..SBendtrans-131.5167.7-179.5-60.40000111.2I53 H56 F63 F93 F94 I99I53-V97 HydrophobicContact CG1-CG1 4.09Å; H56-V97 HydrophobicContact CB-CG1 4.07Å; F63-V97 HydrophobicContact CB-CG2 4.41Å; F63-V97 HydrophobicContact CD2-CB 3.74Å; F63-V97 HydrophobicContact CD2-CG1 3.9Å; F63-V97 HydrophobicContact CD2-CG2 4.13Å; F63-V97 HydrophobicContact CE2-CB 4.3Å; F63-V97 HydrophobicContact CE2-CG1 3.93Å; F63-V97 HydrophobicContact CG-CB 4.36Å; F63-V97 HydrophobicContact CG-CG2 4.3Å; F93-V97 HydrophobicContact CD2-CG1 4.32Å; F93-V97 HydrophobicContact CE2-CG1 3.9Å; F93-V97 HydrophobicContact CE2-CG2 4.41Å; F93-V97 HydrophobicContact CZ-CG2 4.48Å; F94-V97 PolarHBondContact O-N 3.47Å; V97-I99 VanDerWaalsContact C-N 3.26Å; V97-I99 HydrophobicContact CG2-CB 4.18Å; V97-I99 HydrophobicContact CG2-CG2 3.87Å; V97-I99 PolarHBondContact O-N 3.45Å
98D98.6Very high98.6Very high62 Ų6246.6 Ų46.633%0.33224%0.237SC..  trans-8827.8-177.168-29.2000114.2H56 S62 F63H56-D98 IonicContact CE1-OD1 2.6Å; H56-D98 PolarHBondContact CE1-OD1 3.41Å; H56-D98 IonicContact CE1-OD2 3.82Å; H56-D98 IonicContact ND1-OD1 3.04Å; H56-D98 PolarHBondContact ND1-OD1 3.48Å; H56-D98 PolarHBondContact NE2-N 2.9Å; H56-D98 IonicContact NE2-OD1 2.82Å; S62-D98 WeakPolarHBondContact CB-OD2 3.49Å; S62-D98 PolarHBondContact OG-OD1 3.22Å; S62-D98 PolarHBondContact OG-OD2 2.92Å; F63-D98 PolarHBondContact N-OD1 3.41Å
99I98.8Very high98.5Very high13 Ų1345 Ų457%0.06723%0.231CC..  trans-69.5136.9174.3-164.8170.2000110.1F63 T68 F94 V97 P101 A104F63-I99 HydrophobicContact CB-CB 3.87Å; F63-I99 HydrophobicContact CB-CG1 4.43Å; T68-I99 HydrophobicContact CG2-CD1 3.61Å; F94-I99 HydrophobicContact CB-CG2 4.21Å; F94-I99 HydrophobicContact CD1-CG2 4.19Å; F94-I99 HydrophobicContact CG-CG2 4.45Å; V97-I99 VanDerWaalsContact C-N 3.26Å; V97-I99 HydrophobicContact CG2-CB 4.18Å; V97-I99 HydrophobicContact CG2-CG2 3.87Å; V97-I99 PolarHBondContact O-N 3.45Å; I99-P101 WeakPolarHBondContact O-CD 3.32Å; I99-A104 HydrophobicContact CD1-CB 4.34Å
100D98.3Very high98.5Very high67 Ų6748.5 Ų48.536%0.35825%0.249SC..  trans-70.1125.4169.2-176.5-24.7000109N102 N103D100-N102 PolarHBondContact O-N 3Å; D100-N102 VanDerWaalsContact O-N 3.09Å; D100-N102 WeakPolarHBondContact OD1-CB 3.36Å; D100-N102 PolarHBondContact OD1-N 3.46Å; D100-N102 PolarHBondContact OD1-ND2 3.24Å; D100-N102 VanDerWaalsContact OD1-ND2 3.1Å; D100-N103 HydrophobicContact CB-CB 4.39Å; D100-N103 WeakPolarHBondContact O-CA 3.44Å; D100-N103 WeakPolarHBondContact O-CB 3.38Å; D100-N103 PolarHBondContact O-N 2.95Å
101P97.3Very high98.5Very high87 Ų8743.3 Ų43.357%0.56524%0.235SC*.G310 helixtrans-53.5-29.7177.6-27.535.6000114.4I99 N103 A104I99-P101 WeakPolarHBondContact O-CD 3.32Å; P101-N103 PolarHBondContact O-N 2.79Å; P101-A104 PolarHBondContact O-N 2.96Å; P101-A104 VanDerWaalsContact O-N 3.15Å
102N97.7Very high98.4Very high128 Ų12850.1 Ų50.168%0.68427%0.265SS*.G310 helixtrans-70.8-16.7177-61.7-57.2000113.2D100 H105D100-N102 PolarHBondContact O-N 3Å; D100-N102 VanDerWaalsContact O-N 3.09Å; D100-N102 WeakPolarHBondContact OD1-CB 3.36Å; D100-N102 PolarHBondContact OD1-N 3.46Å; D100-N102 PolarHBondContact OD1-ND2 3.24Å; D100-N102 VanDerWaalsContact OD1-ND2 3.1Å; N102-H105 PolarHBondContact O-CE1 2.79Å
103N98.6Very high98.4Very high16 Ų1652.1 Ų52.19%0.08628%0.275CS..G310 helixtrans-96.74.8174.9-68.9-41000112.1Y34 V66 K67 T68 D100 P101Y34-N103 WeakPolarHBondContact CE1-ND2 3.23Å; V66-N103 WeakPolarHBondContact O-CB 3.3Å; K67-N103 CarbonylContact C-O 3.56Å; K67-N103 VanDerWaalsContact CA-O 3.26Å; K67-N103 WeakPolarHBondContact CA-O 3.38Å; K67-N103 WeakPolarHBondContact CE-OD1 3.49Å; K67-N103 HydrophobicContact CG-CB 3.89Å; T68-N103 PolarHBondContact N-O 2.84Å; D100-N103 HydrophobicContact CB-CB 4.39Å; D100-N103 WeakPolarHBondContact O-CA 3.44Å; D100-N103 WeakPolarHBondContact O-CB 3.38Å; D100-N103 PolarHBondContact O-N 2.95Å; P101-N103 PolarHBondContact O-N 2.79Å
104A98.6Very high98.4Very high25 Ų2553.7 Ų53.721%0.20728%0.284CS..EExtended strand (participates in β ladder)trans-105.6103.7176.300000110.8T68 F94 I99 P101T68-A104 WeakPolarHBondContact OG1-CA 3.42Å; F94-A104 HydrophobicContact CD2-CB 4.11Å; F94-A104 HydrophobicContact CE2-CB 3.84Å; F94-A104 HydrophobicContact CZ-CB 4.09Å; I99-A104 HydrophobicContact CD1-CB 4.34Å; P101-A104 PolarHBondContact O-N 2.96Å; P101-A104 VanDerWaalsContact O-N 3.15Å
105H98.9Very high98.4Very high37 Ų3757.2 Ų57.217%0.17130%0.3CS..EExtended strand (participates in β ladder)trans-105.2122.4-173.8-49.9-68.2000111.3T68 F69 N70 N102 F121T68-H105 WeakPolarHBondContact O-CA 3.47Å; T68-H105 VanDerWaalsContact O-CB 3.31Å; T68-H105 WeakPolarHBondContact O-CB 3.43Å; T68-H105 PolarHBondContact O-CD2 3.28Å; T68-H105 VanDerWaalsContact O-CD2 3.27Å; T68-H105 PolarHBondContact O-N 2.66Å; F69-H105 WeakPolarHBondContact CA-O 3.19Å; F69-H105 HydrophobicContact CD1-CB 3.74Å; F69-H105 AromaticContact CD1-CD2 3.86Å; F69-H105 HydrophobicContact CE1-CB 3.96Å; F69-H105 AromaticContact CE1-CD2 3.35Å; F69-H105 WeakPolarHBondContact CE1-CD2 3.3Å; F69-H105 AromaticContact CE1-CG 3.79Å; F69-H105 AromaticContact CE2-CD2 3.95Å; F69-H105 HydrophobicContact CG-CB 4.41Å; F69-H105 AromaticContact CZ-CD2 3.4Å; F69-H105 VanDerWaalsContact CZ-CD2 3.4Å; F69-H105 WeakPolarHBondContact CZ-CD2 3.22Å; F69-H105 AromaticContact CZ-NE2 3.98Å; N70-H105 PolarHBondContact N-O 2.79Å; N102-H105 PolarHBondContact O-CE1 2.79Å; H105-F121 HydrophobicContact CB-CE2 3.98Å
106I98.8Very high98.4Very high18 Ų1854.8 Ų54.89%0.09230%0.298CS..  trans-132138.6172.5-51.4-179.4000106.6N70 E73 M89 F94N70-I106 HydrophobicContact CB-CB 4.32Å; N70-I106 HydrophobicContact CB-CG1 3.91Å; N70-I106 HydrophobicContact CB-CG2 4.18Å; E73-I106 HydrophobicContact CB-CG2 4.18Å; M89-I106 HydrophobicContact CB-CD1 3.88Å; M89-I106 HydrophobicContact CG-CD1 3.96Å; F94-I106 HydrophobicContact CE2-CD1 4.05Å; F94-I106 HydrophobicContact CE2-CG1 4.48Å
107L98.8Very high98.4Very high0 Ų053 Ų530%029%0.29CS..  trans-52.6142.6175.7-77.1156.9000111.5E73 H86 G109 E117 F121 T157 L186E73-L107 HydrophobicContact CB-CB 4.21Å; E73-L107 WeakPolarHBondContact CB-O 3.4Å; H86-L107 PolarHBondContact NE2-O 3.29Å; L107-G109 PolarHBondContact O-N 2.91Å; L107-E117 HydrophobicContact CD2-CG 4.22Å; L107-F121 HydrophobicContact CD2-CB 3.65Å; L107-F121 HydrophobicContact CD2-CD1 4.23Å; L107-F121 HydrophobicContact CD2-CD2 3.83Å; L107-F121 HydrophobicContact CD2-CG 3.65Å; L107-F121 HydrophobicContact CG-CD1 4.3Å; L107-F121 HydrophobicContact CG-CD2 3.88Å; L107-F121 HydrophobicContact CG-CE1 4.48Å; L107-F121 HydrophobicContact CG-CE2 4.1Å; L107-F121 HydrophobicContact CG-CG 3.99Å; L107-F121 HydrophobicContact CG-CZ 4.39Å; L107-T157 HydrophobicContact CD1-CG2 4.04Å; L107-T157 HydrophobicContact CD2-CG2 3.89Å; L107-L186 HydrophobicContact CB-CB 3.96Å; L107-L186 HydrophobicContact CB-CD1 4.26Å; L107-L186 HydrophobicContact CD1-CB 3.79Å; L107-L186 HydrophobicContact CD2-CB 4.19Å; L107-L186 HydrophobicContact CD2-CD1 4.26Å; L107-L186 HydrophobicContact CG-CB 4.19Å
108D98.6Very high98.4Very high43 Ų4352.3 Ų52.323%0.2329%0.286CS..  trans-92.592.5173.1-161.8-13.7000111.9R79 N110 A111 E117 L186R79-D108 IonicContact NH2-OD1 3.55Å; R79-D108 IonicContact NH2-OD2 3.9Å; R79-D108 PolarHBondContact NH2-OD2 3.32Å; D108-N110 PolarHBondContact O-N 3.18Å; D108-N110 PolarHBondContact OD1-N 3.3Å; D108-A111 HydrophobicContact CB-CB 4.36Å; D108-A111 WeakPolarHBondContact O-CB 3.31Å; D108-A111 PolarHBondContact O-N 3.33Å; D108-A111 VanDerWaalsContact O-N 3.13Å; D108-E117 HydrophobicContact CB-CG 4.14Å; D108-E117 PolarHBondContact N-OE1 2.89Å; D108-L186 WeakPolarHBondContact O-CD1 3.34Å
109G98.3Very high98.4Very high1 Ų153.5 Ų53.51%0.0129%0.293CS..THydrogen-bonded Turntrans-64.7-3.6175.500000115.2Y74 V75 G76 L107Y74-G109 WeakPolarHBondContact O-CA 3.4Å; V75-G109 CarbonylContact C-O 3.56Å; V75-G109 VanDerWaalsContact CA-O 3.27Å; V75-G109 WeakPolarHBondContact CA-O 3.27Å; G76-G109 PolarHBondContact N-O 3.46Å; L107-G109 PolarHBondContact O-N 2.91Å
110N98.2Very high98.4Very high73 Ų7354.8 Ų54.839%0.3931%0.305SS..THydrogen-bonded Turntrans-112.612.4175.5-57.5-77.9000113G76 L77 D108G76-N110 WeakPolarHBondContact CA-OD1 3.33Å; L77-N110 PolarHBondContact O-ND2 3.01Å; L77-N110 PolarHBondContact O-OD1 3.41Å; D108-N110 PolarHBondContact O-N 3.18Å; D108-N110 PolarHBondContact OD1-N 3.3Å
111A98.1Very high98.4Very high26 Ų2651.6 Ų51.622%0.21529%0.288CS..  trans-60.6145.2173.500000111.4D108 L114 E117D108-A111 HydrophobicContact CB-CB 4.36Å; D108-A111 WeakPolarHBondContact O-CB 3.31Å; D108-A111 PolarHBondContact O-N 3.33Å; D108-A111 VanDerWaalsContact O-N 3.13Å; A111-L114 HydrophobicContact CB-CD2 4.4Å; A111-L114 WeakPolarHBondContact O-CD2 3.48Å; A111-E117 HydrophobicContact CB-CB 3.8Å; A111-E117 HydrophobicContact CB-CG 4.22Å
112E97.4Very high98.5Very high210 Ų21048.5 Ų48.598%0.98127%0.266SS*.SBendtrans-64.4-42.3177-66.4-175.417100111.6
113D98.3Very high98.5Very high95 Ų9546.7 Ų46.751%0.50825%0.253SS..SBendtrans-111100.1172.1-171.5-25.4000109.9Q115 A116 E117D113-Q115 VanDerWaalsContact C-N 3.32Å; D113-Q115 PolarHBondContact O-N 3.37Å; D113-Q115 PolarHBondContact OD1-N 3.03Å; D113-A116 HydrophobicContact CB-CB 3.85Å; D113-A116 PolarHBondContact O-N 3.2Å; D113-A116 PolarHBondContact OD1-N 2.87Å; D113-E117 PolarHBondContact O-N 3.07Å; D113-E117 VanDerWaalsContact O-N 3.07Å
114L98.3Very high98.6Very high34 Ų3449.5 Ų49.518%0.17827%0.265CS..Hα-helixtrans-66.7-31-177.3-64.5179.2000113.1V75 A111 C118 L159 L186V75-L114 HydrophobicContact CG1-CD1 3.75Å; V75-L114 HydrophobicContact CG1-CD2 4.41Å; V75-L114 HydrophobicContact CG2-CD1 4.19Å; V75-L114 HydrophobicContact CG2-CD2 4.42Å; A111-L114 HydrophobicContact CB-CD2 4.4Å; A111-L114 WeakPolarHBondContact O-CD2 3.48Å; L114-C118 PolarHBondContact O-N 2.8Å; L114-C118 PolarHBondContact O-SG 3.04Å; L114-L159 HydrophobicContact CD1-CD1 3.99Å; L114-L159 HydrophobicContact CD1-CD2 4.34Å; L114-L186 HydrophobicContact CB-CD2 3.99Å; L114-L186 HydrophobicContact CD2-CD1 4.19Å; L114-L186 HydrophobicContact CD2-CD2 4.22Å; L114-L186 HydrophobicContact CG-CD2 4.48Å
115Q98.4Very high98.6Very high87 Ų8748.9 Ų48.941%0.40726%0.258SS..Hα-helixtrans-76.5-41.5178.3-175.159.75500110.2D113 E117 C118 D119D113-Q115 VanDerWaalsContact C-N 3.32Å; D113-Q115 PolarHBondContact O-N 3.37Å; D113-Q115 PolarHBondContact OD1-N 3.03Å; Q115-E117 VanDerWaalsContact C-N 3.28Å; Q115-E117 PolarHBondContact O-N 3.44Å; Q115-C118 WeakPolarHBondContact O-CB 3.35Å; Q115-C118 PolarHBondContact O-N 3.33Å; Q115-C118 VanDerWaalsContact O-N 3.1Å; Q115-D119 PolarHBondContact NE2-OD1 3.1Å; Q115-D119 VanDerWaalsContact O-CG 3.29Å; Q115-D119 PolarHBondContact O-N 3.19Å
116A98.6Very high98.6Very high47 Ų4753.5 Ų53.539%0.38828%0.277SS..Hα-helixtrans-60.5-37.5174.100000112.2D113 D119 A120D113-A116 HydrophobicContact CB-CB 3.85Å; D113-A116 PolarHBondContact O-N 3.2Å; D113-A116 PolarHBondContact OD1-N 2.87Å; A116-D119 PolarHBondContact O-N 3.11Å; A116-A120 VanDerWaalsContact O-CB 3.26Å; A116-A120 WeakPolarHBondContact O-CB 3.48Å; A116-A120 PolarHBondContact O-N 3.38Å
117E98.8Very high98.5Very high29 Ų2960.1 Ų60.114%0.13631%0.308CS..Hα-helixtrans-62.7-42.1172.717157.5-165.400111.9L107 D108 A111 D113 Q115 A120 F121 L186L107-E117 HydrophobicContact CD2-CG 4.22Å; D108-E117 HydrophobicContact CB-CG 4.14Å; D108-E117 PolarHBondContact N-OE1 2.89Å; A111-E117 HydrophobicContact CB-CB 3.8Å; A111-E117 HydrophobicContact CB-CG 4.22Å; D113-E117 PolarHBondContact O-N 3.07Å; D113-E117 VanDerWaalsContact O-N 3.07Å; Q115-E117 VanDerWaalsContact C-N 3.28Å; Q115-E117 PolarHBondContact O-N 3.44Å; E117-A120 PolarHBondContact O-N 2.92Å; E117-F121 WeakPolarHBondContact O-CB 3.16Å; E117-F121 PolarHBondContact O-N 3.1Å; E117-L186 HydrophobicContact CB-CD1 4.42Å; E117-L186 HydrophobicContact CG-CD1 3.85Å
118C98.8Very high98.5Very high0 Ų061 Ų610%032%0.315CS..Hα-helixtrans-62.9-44.9176.2-70.50000112.1L114 Q115 F121 E122 T157 R158L114-C118 PolarHBondContact O-N 2.8Å; L114-C118 PolarHBondContact O-SG 3.04Å; Q115-C118 WeakPolarHBondContact O-CB 3.35Å; Q115-C118 PolarHBondContact O-N 3.33Å; Q115-C118 VanDerWaalsContact O-N 3.1Å; C118-F121 WeakPolarHBondContact O-CB 3.26Å; C118-F121 PolarHBondContact O-N 3.11Å; C118-E122 PolarHBondContact O-N 3.19Å; C118-E122 VanDerWaalsContact O-N 3.17Å; C118-T157 HydrophobicContact CB-CG2 3.83Å; C118-R158 VanDerWaalsContact SG-C 3.6Å; C118-R158 VanDerWaalsContact SG-CA 3.58Å
119D98.8Very high98.5Very high88 Ų8861 Ų6147%0.47133%0.326SS..Hα-helixtrans-65.4-40.4178-63.1-16.3000111Q115 A116 F121 E122 E123Q115-D119 PolarHBondContact NE2-OD1 3.1Å; Q115-D119 VanDerWaalsContact O-CG 3.29Å; Q115-D119 PolarHBondContact O-N 3.19Å; A116-D119 PolarHBondContact O-N 3.11Å; D119-F121 VanDerWaalsContact C-N 3.29Å; D119-F121 PolarHBondContact O-N 2.98Å; D119-E122 WeakPolarHBondContact O-CB 3.46Å; D119-E122 PolarHBondContact O-N 3.43Å; D119-E123 PolarHBondContact O-N 2.91Å
120A98.8Very high98.5Very high39 Ų3961.8 Ų61.832%0.32233%0.334SS..Hα-helixtrans-64.5-33.7174.700000112.2A116 E117 E123 K124A116-A120 VanDerWaalsContact O-CB 3.26Å; A116-A120 WeakPolarHBondContact O-CB 3.48Å; A116-A120 PolarHBondContact O-N 3.38Å; E117-A120 PolarHBondContact O-N 2.92Å; A120-E123 PolarHBondContact O-N 3.4Å; A120-K124 VanDerWaalsContact O-CG 3.27Å; A120-K124 WeakPolarHBondContact O-CG 3.39Å; A120-K124 PolarHBondContact O-N 3.15Å
121F98.9Very high98.5Very high1 Ų158.5 Ų58.50%0.00432%0.316CS..Hα-helixtrans-65.9-41.5175.5-161.5-98000111.8F69 N70 H105 L107 E117 C118 D119 K124 I125 T157 V188F69-F121 HydrophobicContact CB-CE1 4.36Å; F69-F121 HydrophobicContact CB-CZ 4.04Å; F69-F121 HydrophobicContact CD1-CE1 4.27Å; F69-F121 HydrophobicContact CD1-CE2 4.37Å; F69-F121 AromaticContact CD1-CZ 3.95Å; F69-F121 HydrophobicContact CD1-CZ 3.95Å; N70-F121 WeakPolarHBondContact O-CZ 3.19Å; H105-F121 HydrophobicContact CB-CE2 3.98Å; L107-F121 HydrophobicContact CD2-CB 3.65Å; L107-F121 HydrophobicContact CD2-CD1 4.23Å; L107-F121 HydrophobicContact CD2-CD2 3.83Å; L107-F121 HydrophobicContact CD2-CG 3.65Å; L107-F121 HydrophobicContact CG-CD1 4.3Å; L107-F121 HydrophobicContact CG-CD2 3.88Å; L107-F121 HydrophobicContact CG-CE1 4.48Å; L107-F121 HydrophobicContact CG-CE2 4.1Å; L107-F121 HydrophobicContact CG-CG 3.99Å; L107-F121 HydrophobicContact CG-CZ 4.39Å; E117-F121 WeakPolarHBondContact O-CB 3.16Å; E117-F121 PolarHBondContact O-N 3.1Å; C118-F121 WeakPolarHBondContact O-CB 3.26Å; C118-F121 PolarHBondContact O-N 3.11Å; D119-F121 VanDerWaalsContact C-N 3.29Å; D119-F121 PolarHBondContact O-N 2.98Å; F121-K124 PolarHBondContact O-N 2.79Å; F121-I125 HydrophobicContact CD1-CD1 3.85Å; F121-I125 HydrophobicContact CD1-CG1 4.47Å; F121-I125 HydrophobicContact CE1-CD1 3.83Å; F121-I125 HydrophobicContact CE1-CG1 4.44Å; F121-I125 WeakPolarHBondContact O-CG1 3.21Å; F121-I125 PolarHBondContact O-N 3.32Å; F121-I125 VanDerWaalsContact O-N 3.07Å; F121-T157 HydrophobicContact CB-CG2 4.41Å; F121-T157 HydrophobicContact CD1-CG2 4.34Å; F121-V188 HydrophobicContact CD1-CG1 4.19Å; F121-V188 HydrophobicContact CE1-CG1 3.76Å
122E98.9Very high98.6Very high22 Ų2258 Ų5810%0.10331%0.31CS..Hα-helixtrans-62.1-43.7174.1-67.5-75.9-167.400112.1C118 D119 I125 K126 R156 T157 T192C118-E122 PolarHBondContact O-N 3.19Å; C118-E122 VanDerWaalsContact O-N 3.17Å; D119-E122 WeakPolarHBondContact O-CB 3.46Å; D119-E122 PolarHBondContact O-N 3.43Å; E122-I125 PolarHBondContact O-N 2.87Å; E122-K126 WeakPolarHBondContact O-CB 3.34Å; E122-K126 PolarHBondContact O-N 3.42Å; E122-R156 WeakPolarHBondContact OE1-CB 3.29Å; E122-R156 IonicContact OE1-CZ 3.59Å; E122-R156 IonicContact OE1-NE 2.77Å; E122-R156 PolarHBondContact OE1-NE 3.4Å; E122-R156 IonicContact OE1-NH2 3.54Å; E122-R156 IonicContact OE2-CZ 3.48Å; E122-R156 IonicContact OE2-NE 3.09Å; E122-R156 IonicContact OE2-NH2 2.69Å; E122-R156 PolarHBondContact OE2-NH2 3.36Å; E122-T157 WeakPolarHBondContact OE1-CB 3.37Å; E122-T157 PolarHBondContact OE1-N 3.42Å; E122-T157 PolarHBondContact OE1-OG1 2.94Å; E122-T192 PolarHBondContact OE1-OG1 2.99Å; E122-T192 VanDerWaalsContact OE1-OG1 3.05Å; E122-T192 WeakPolarHBondContact OE2-CG2 3.26Å
123E98.8Very high98.6Very high90 Ų9048.1 Ų48.142%0.42126%0.264SS..Hα-helixtrans-65.8-38.5176.4-71.1-60.4127.600111.7D119 A120 I125 K126 E127D119-E123 PolarHBondContact O-N 2.91Å; A120-E123 PolarHBondContact O-N 3.4Å; E123-I125 VanDerWaalsContact C-N 3.32Å; E123-I125 PolarHBondContact O-N 2.79Å; E123-K126 WeakPolarHBondContact O-CB 3.37Å; E123-K126 PolarHBondContact O-N 2.92Å; E123-K126 VanDerWaalsContact O-N 3.16Å; E123-K126 IonicContact OE1-NZ 2.98Å; E123-K126 PolarHBondContact OE1-NZ 2.69Å; E123-K126 IonicContact OE2-NZ 2.84Å; E123-K126 PolarHBondContact OE2-NZ 3.01Å; E123-E127 WeakPolarHBondContact O-CB 3.39Å; E123-E127 VanDerWaalsContact O-CG 3.3Å; E123-E127 WeakPolarHBondContact O-CG 3.46Å; E123-E127 PolarHBondContact O-N 2.84Å
124K98.8Very high98.7Very high75 Ų7543.6 Ų43.633%0.32624%0.24SC..Hα-helixtrans-59.6-40.4172.8-71.8166.4-171.3162.80112.3F69 A120 F121 A128F69-K124 HydrophobicContact CE1-CB 4.02Å; A120-K124 VanDerWaalsContact O-CG 3.27Å; A120-K124 WeakPolarHBondContact O-CG 3.39Å; A120-K124 PolarHBondContact O-N 3.15Å; F121-K124 PolarHBondContact O-N 2.79Å; K124-A128 WeakPolarHBondContact O-CB 3.48Å; K124-A128 PolarHBondContact O-N 3.46Å
125I98.8Very high98.7Very high12 Ų1242.2 Ų42.26%0.06223%0.233CC..Hα-helixtrans-62.7-45.5175.4-69.6169.4000110.2F69 F121 E122 E123 A128 G129 G130 I131 T192F69-I125 HydrophobicContact CD1-CD1 4.35Å; F69-I125 HydrophobicContact CD1-CG1 3.47Å; F69-I125 VanDerWaalsContact CD1-CG1 3.47Å; F69-I125 HydrophobicContact CE1-CB 4.43Å; F69-I125 HydrophobicContact CE1-CG1 3.67Å; F69-I125 HydrophobicContact CG-CG1 3.98Å; F69-I125 HydrophobicContact CZ-CG1 4.34Å; F121-I125 HydrophobicContact CD1-CD1 3.85Å; F121-I125 HydrophobicContact CD1-CG1 4.47Å; F121-I125 HydrophobicContact CE1-CD1 3.83Å; F121-I125 HydrophobicContact CE1-CG1 4.44Å; F121-I125 WeakPolarHBondContact O-CG1 3.21Å; F121-I125 PolarHBondContact O-N 3.32Å; F121-I125 VanDerWaalsContact O-N 3.07Å; E122-I125 PolarHBondContact O-N 2.87Å; E123-I125 VanDerWaalsContact C-N 3.32Å; E123-I125 PolarHBondContact O-N 2.79Å; I125-A128 PolarHBondContact O-N 2.86Å; I125-G129 PolarHBondContact O-N 2.89Å; I125-G130 WeakPolarHBondContact O-CA 3.43Å; I125-G130 PolarHBondContact O-N 3.09Å; I125-I131 HydrophobicContact CG1-CD1 4.29Å; I125-I131 HydrophobicContact CG2-CD1 3.98Å; I125-I131 HydrophobicContact CG2-CG1 3.93Å; I125-T192 HydrophobicContact CD1-CG2 3.84Å
126K98.7Very high98.7Very high134 Ų13438.1 Ų38.158%0.58321%0.214SC*.Hα-helixtrans-65.7-42.7179.8180179.5161.8-151.20112.5E122 E123 A128 G129E122-K126 WeakPolarHBondContact O-CB 3.34Å; E122-K126 PolarHBondContact O-N 3.42Å; E123-K126 WeakPolarHBondContact O-CB 3.37Å; E123-K126 PolarHBondContact O-N 2.92Å; E123-K126 VanDerWaalsContact O-N 3.16Å; E123-K126 IonicContact OE1-NZ 2.98Å; E123-K126 PolarHBondContact OE1-NZ 2.69Å; E123-K126 IonicContact OE2-NZ 2.84Å; E123-K126 PolarHBondContact OE2-NZ 3.01Å; K126-A128 PolarHBondContact O-N 3.18Å; K126-G129 WeakPolarHBondContact O-CA 3.19Å; K126-G129 PolarHBondContact O-N 2.83Å
127E98.3Very high98.7Very high156 Ų15636.7 Ų36.773%0.72920%0.204SC*.Hα-helixtrans-62-31.4173.6-74.4176.8176.400112.3E123 G129E123-E127 WeakPolarHBondContact O-CB 3.39Å; E123-E127 VanDerWaalsContact O-CG 3.3Å; E123-E127 WeakPolarHBondContact O-CG 3.46Å; E123-E127 PolarHBondContact O-N 2.84Å; E127-G129 PolarHBondContact O-N 2.88Å
128A98.2Very high98.6Very high18 Ų1835.7 Ų35.715%0.14920%0.199CC..THydrogen-bonded Turntrans-76.40.4171.900000113.8S36 K67 F69 K124 I125 K126S36-A128 PolarHBondContact OG-O 3.36Å; K67-A128 HydrophobicContact CD-CB 3.99Å; F69-A128 HydrophobicContact CE2-CB 3.97Å; F69-A128 HydrophobicContact CZ-CB 3.74Å; K124-A128 WeakPolarHBondContact O-CB 3.48Å; K124-A128 PolarHBondContact O-N 3.46Å; I125-A128 PolarHBondContact O-N 2.86Å; K126-A128 PolarHBondContact O-N 3.18Å
129G98.2Very high98.3Very high44 Ų4435.8 Ų35.845%0.45420%0.2SC..THydrogen-bonded Turntrans80.622.7-179.200000113.9I125 K126 E127 R197I125-G129 PolarHBondContact O-N 2.89Å; K126-G129 WeakPolarHBondContact O-CA 3.19Å; K126-G129 PolarHBondContact O-N 2.83Å; E127-G129 PolarHBondContact O-N 2.88Å; G129-R197 PolarHBondContact O-NH1 3.34Å; G129-R197 PolarHBondContact O-NH2 3.19Å
130G98.6Very high98Very high18 Ų1834.6 Ų34.619%0.18620%0.197CC..SBendtrans80-178.5-173.900000113.2S36 I125S36-G130 WeakPolarHBondContact CB-O 3.16Å; S36-G130 PolarHBondContact OG-O 2.81Å; I125-G130 WeakPolarHBondContact O-CA 3.43Å; I125-G130 PolarHBondContact O-N 3.09Å
131I98.9Very high97.7Very high3 Ų333.4 Ų33.42%0.01519%0.185CC..  trans-94.3127.8-178.5-55.5-57.7000110.2F69 I125 L133 F134 A196 R197F69-I131 HydrophobicContact CB-CD1 4.07Å; F69-I131 HydrophobicContact CD2-CD1 3.4Å; F69-I131 HydrophobicContact CE2-CD1 3.99Å; F69-I131 HydrophobicContact CG-CD1 3.85Å; I125-I131 HydrophobicContact CG1-CD1 4.29Å; I125-I131 HydrophobicContact CG2-CD1 3.98Å; I125-I131 HydrophobicContact CG2-CG1 3.93Å; I131-L133 VanDerWaalsContact CG2-C 3.45Å; I131-L133 VanDerWaalsContact CG2-O 3.27Å; I131-L133 WeakPolarHBondContact CG2-O 3.43Å; I131-F134 HydrophobicContact CB-CD2 4.4Å; I131-F134 HydrophobicContact CG1-CD2 4.17Å; I131-F134 HydrophobicContact CG2-CB 3.96Å; I131-F134 HydrophobicContact CG2-CD2 3.99Å; I131-F134 HydrophobicContact CG2-CG 4.3Å; I131-A196 HydrophobicContact CB-CB 3.95Å; I131-A196 HydrophobicContact CG2-CB 4.07Å; I131-A196 WeakPolarHBondContact O-CA 3.45Å; I131-R197 PolarHBondContact O-N 2.92Å
132D98.9Very high97.6Very high17 Ų1733.3 Ų33.39%0.09119%0.185CC..SBendtrans-76.3-44.8176.2-67.9-61.8000111.6F35 S36 R197 E198F35-D132 WeakPolarHBondContact CA-OD2 3.45Å; F35-D132 HydrophobicContact CD2-CB 3.91Å; F35-D132 HydrophobicContact CE2-CB 3.66Å; F35-D132 HydrophobicContact CG-CB 4.47Å; F35-D132 HydrophobicContact CZ-CB 4Å; S36-D132 PolarHBondContact N-OD2 2.93Å; S36-D132 WeakPolarHBondContact O-CB 3.4Å; S36-D132 PolarHBondContact O-N 3.12Å; D132-R197 IonicContact OD1-CZ 3.18Å; D132-R197 IonicContact OD1-NE 2.72Å; D132-R197 PolarHBondContact OD1-NE 3.25Å; D132-R197 IonicContact OD1-NH2 2.82Å; D132-R197 PolarHBondContact OD1-NH2 2.94Å; D132-R197 IonicContact OD2-NH2 3.78Å; D132-E198 PolarHBondContact O-N 3.45Å
133L98.9Very high97.5Very high1 Ų133.7 Ų33.71%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-138.9122.7176.4174.262.5000109.1I20 F35 S36 L37 G38 I131 V135 E198 M200I20-L133 HydrophobicContact CG1-CD2 3.88Å; F35-L133 HydrophobicContact CE1-CB 4.24Å; F35-L133 HydrophobicContact CZ-CB 3.8Å; S36-L133 PolarHBondContact O-N 2.91Å; L37-L133 CarbonylContact C-O 3.35Å; L37-L133 WeakPolarHBondContact CA-O 3.37Å; L37-L133 HydrophobicContact CD1-CB 4.16Å; L37-L133 HydrophobicContact CD1-CD2 4.11Å; L37-L133 HydrophobicContact CD1-CG 4.1Å; L37-L133 WeakPolarHBondContact CD1-O 3.39Å; G38-L133 PolarHBondContact N-O 3.29Å; I131-L133 VanDerWaalsContact CG2-C 3.45Å; I131-L133 VanDerWaalsContact CG2-O 3.27Å; I131-L133 WeakPolarHBondContact CG2-O 3.43Å; L133-V135 HydrophobicContact CD2-CG2 4.18Å; L133-V135 HydrophobicContact CG-CG2 4.07Å; L133-E198 CarbonylContact C-O 3.3Å; L133-E198 WeakPolarHBondContact CA-O 3.33Å; L133-E198 HydrophobicContact CD1-CB 4.05Å; L133-E198 HydrophobicContact CD1-CG 3.72Å; L133-M200 HydrophobicContact CD1-CB 4.05Å
134F98.9Very high97.5Very high1 Ų129.4 Ų29.40%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-103.5114172.5-150.5-53.6000109.5M71 I131 V188 V193 A196 E198 V199 M200M71-F134 HydrophobicContact CG-CE1 3.34Å; M71-F134 HydrophobicContact CG-CZ 3.63Å; M71-F134 HydrophobicContact SD-CE1 3.88Å; I131-F134 HydrophobicContact CB-CD2 4.4Å; I131-F134 HydrophobicContact CG1-CD2 4.17Å; I131-F134 HydrophobicContact CG2-CB 3.96Å; I131-F134 HydrophobicContact CG2-CD2 3.99Å; I131-F134 HydrophobicContact CG2-CG 4.3Å; F134-V188 HydrophobicContact CZ-CG2 4.05Å; F134-V193 HydrophobicContact CB-CG1 4.13Å; F134-V193 HydrophobicContact CD1-CG1 3.98Å; F134-V193 HydrophobicContact CD2-CB 4.35Å; F134-V193 HydrophobicContact CD2-CG1 4.07Å; F134-V193 HydrophobicContact CD2-CG2 4.27Å; F134-V193 HydrophobicContact CE1-CG2 4.32Å; F134-V193 HydrophobicContact CE2-CG2 3.99Å; F134-V193 HydrophobicContact CG-CG1 3.77Å; F134-V193 HydrophobicContact CZ-CG2 4.05Å; F134-A196 HydrophobicContact CB-CB 3.68Å; F134-A196 HydrophobicContact CD2-CB 4.45Å; F134-E198 PolarHBondContact N-O 2.95Å; F134-V199 HydrophobicContact CB-CG2 4.4Å; F134-V199 CarbonylContact O-C 3.53Å; F134-V199 WeakPolarHBondContact O-CA 3.22Å; F134-M200 PolarHBondContact O-N 2.78Å
135V98.9Very high97.4Very high5 Ų526.1 Ų26.13%0.0315%0.153CC..EExtended strand (participates in β ladder)trans-93129.4174.1-171.50000109.2I20 L37 G38 P40 L133 M200I20-V135 HydrophobicContact CD1-CG2 3.95Å; I20-V135 HydrophobicContact CG1-CG2 4.23Å; L37-V135 HydrophobicContact CD1-CG2 3.9Å; G38-V135 WeakPolarHBondContact O-CB 3.35Å; G38-V135 PolarHBondContact O-N 3.09Å; P40-V135 WeakPolarHBondContact CD-O 3.34Å; P40-V135 HydrophobicContact CG-CG1 4.14Å; L133-V135 HydrophobicContact CD2-CG2 4.18Å; L133-V135 HydrophobicContact CG-CG2 4.07Å; V135-M200 CarbonylContact C-O 3.32Å; V135-M200 WeakPolarHBondContact CA-O 3.41Å; V135-M200 HydrophobicContact CB-CE 4.42Å; V135-M200 HydrophobicContact CG1-CE 3.82Å; V135-M200 HydrophobicContact CG2-CE 3.74Å
136G98.4Very high97.3Very high1 Ų125.8 Ų25.81%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-134.8172.9179.600000112.2M200 I201 L202G136-M200 PolarHBondContact N-O 3.37Å; G136-I201 WeakPolarHBondContact O-CA 3.41Å; G136-L202 PolarHBondContact O-N 2.94Å
137G97.4Very high97.3Very high17 Ų1719.4 Ų19.418%0.17512%0.124CC..  trans-121.1-175.4164.700000110.4
138I97.2Very high97.2Very high7 Ų712.1 Ų12.14%0.0369%0.09CC..  trans-123.6133.9173.1-169.2170.2000110H143 I201 I203 K208 A211 A215 V226I138-H143 WeakPolarHBondContact CA-O 3.41Å; I138-I201 HydrophobicContact CB-CG2 4.46Å; I138-I203 HydrophobicContact CB-CD1 4.33Å; I138-I203 HydrophobicContact CB-CG1 4.36Å; I138-I203 HydrophobicContact CG2-CB 4.1Å; I138-I203 HydrophobicContact CG2-CD1 3.78Å; I138-I203 HydrophobicContact CG2-CG1 3.61Å; I138-I203 HydrophobicContact CG2-CG2 3.54Å; I138-K208 HydrophobicContact CG2-CB 4.32Å; I138-K208 HydrophobicContact CG2-CD 4.44Å; I138-K208 WeakPolarHBondContact O-CD 3.38Å; I138-K208 WeakPolarHBondContact O-CE 3.18Å; I138-K208 PolarHBondContact O-NZ 3.1Å; I138-A211 HydrophobicContact CD1-CB 3.68Å; I138-A211 HydrophobicContact CG1-CB 4.03Å; I138-A215 HydrophobicContact CD1-CB 4.04Å; I138-V226 HydrophobicContact CB-CG2 4.19Å; I138-V226 HydrophobicContact CD1-CB 4.01Å; I138-V226 HydrophobicContact CD1-CG1 4.08Å; I138-V226 HydrophobicContact CD1-CG2 4.05Å; I138-V226 HydrophobicContact CG1-CB 4.29Å; I138-V226 HydrophobicContact CG1-CG2 3.77Å
139G93.3Very high97.1Very high2 Ų213.5 Ų13.52%0.02110%0.097CC..  trans-69.116216800000112.6D141 G142 H143 A211G139-D141 WeakPolarHBondContact CA-OD1 3.47Å; G139-D141 PolarHBondContact O-N 3.08Å; G139-G142 PolarHBondContact O-N 3.08Å; G139-H143 WeakPolarHBondContact CA-NE2 3.3Å; G139-H143 PolarHBondContact N-O 3.12Å; G139-A211 VanDerWaalsContact O-CB 3.29Å; G139-A211 WeakPolarHBondContact O-CB 3.14Å
140P91.6Very high97Very high64 Ų6413.2 Ų13.242%0.4169%0.094SC..THydrogen-bonded Turntrans-61.9-20.9172.927.9-33.8000113.3
141D93Very high97Very high13 Ų1312.7 Ų12.77%0.079%0.087CC..THydrogen-bonded Turntrans-92.44.7173.564.7-12.1000113.5G139 H143 P149 W224G139-D141 WeakPolarHBondContact CA-OD1 3.47Å; G139-D141 PolarHBondContact O-N 3.08Å; D141-H143 IonicContact OD1-CE1 2.76Å; D141-H143 PolarHBondContact OD1-CE1 2.84Å; D141-H143 IonicContact OD1-CG 2.96Å; D141-H143 PolarHBondContact OD1-N 3.13Å; D141-H143 IonicContact OD1-ND1 3.82Å; D141-H143 PolarHBondContact OD1-ND1 2.85Å; D141-H143 IonicContact OD2-CE1 3.44Å; D141-H143 IonicContact OD2-CG 3.77Å; D141-H143 IonicContact OD2-ND1 2.74Å; D141-H143 PolarHBondContact OD2-ND1 3.21Å; D141-P149 HydrophobicContact CB-CG 3.96Å; D141-P149 VanDerWaalsContact OD2-CD 3.26Å; D141-P149 WeakPolarHBondContact OD2-CD 3.35Å; D141-W224 VanDerWaalsContact C-CE3 3.43Å; D141-W224 WeakPolarHBondContact O-CZ3 3.36Å
142G96.3Very high97Very high0 Ų015.6 Ų15.60%011%0.108CC..  trans8012.9-179.300000116.3G139 W224 T225 V226G139-G142 PolarHBondContact O-N 3.08Å; G142-W224 CarbonylContact O-C 3.58Å; G142-T225 PolarHBondContact O-N 3.28Å; G142-T225 VanDerWaalsContact O-N 3.13Å; G142-V226 WeakPolarHBondContact O-CG2 3.47Å; G142-V226 PolarHBondContact O-N 2.95Å
143H97.1Very high97Very high29 Ų2916.6 Ų16.613%0.13411%0.113CC..  trans-69.5148178.165.9-126000113.3I138 G139 D141 A145 N147 E148 T225I138-H143 WeakPolarHBondContact CA-O 3.41Å; G139-H143 WeakPolarHBondContact CA-NE2 3.3Å; G139-H143 PolarHBondContact N-O 3.12Å; D141-H143 IonicContact OD1-CE1 2.76Å; D141-H143 PolarHBondContact OD1-CE1 2.84Å; D141-H143 IonicContact OD1-CG 2.96Å; D141-H143 PolarHBondContact OD1-N 3.13Å; D141-H143 IonicContact OD1-ND1 3.82Å; D141-H143 PolarHBondContact OD1-ND1 2.85Å; D141-H143 IonicContact OD2-CE1 3.44Å; D141-H143 IonicContact OD2-CG 3.77Å; D141-H143 IonicContact OD2-ND1 2.74Å; D141-H143 PolarHBondContact OD2-ND1 3.21Å; H143-A145 PolarHBondContact CD2-O 3.11Å; H143-N147 WeakPolarHBondContact CB-O 3.42Å; H143-E148 IonicContact ND1-OE2 3.18Å; H143-E148 PolarHBondContact ND1-OE2 2.84Å; H143-T225 WeakPolarHBondContact CA-OG1 3.35Å
144I98.3Very high97Very high0 Ų022.2 Ų22.20%015%0.148CC..SBendtrans-103.7131.3159179.763000109.1M71 N147 V190 V193 I201 T225 V226 F229M71-I144 HydrophobicContact SD-CD1 3.97Å; I144-N147 HydrophobicContact CG2-CB 4.27Å; I144-N147 WeakPolarHBondContact O-CB 3.47Å; I144-N147 PolarHBondContact O-N 3.39Å; I144-N147 PolarHBondContact O-ND2 2.93Å; I144-V190 HydrophobicContact CG2-CG2 4.08Å; I144-V193 HydrophobicContact CG1-CG1 4.49Å; I144-V193 HydrophobicContact CG1-CG2 4.24Å; I144-I201 HydrophobicContact CD1-CD1 3.98Å; I144-T225 PolarHBondContact N-OG1 2.88Å; I144-T225 VanDerWaalsContact N-OG1 3.12Å; I144-V226 HydrophobicContact CB-CG2 3.9Å; I144-F229 HydrophobicContact CB-CE2 4.19Å; I144-F229 HydrophobicContact CB-CZ 4.42Å; I144-F229 HydrophobicContact CD1-CE2 4.41Å; I144-F229 HydrophobicContact CG1-CE2 4.1Å; I144-F229 HydrophobicContact CG1-CZ 4.01Å; I144-F229 HydrophobicContact CG2-CE2 4.37Å; I144-F229 HydrophobicContact CG2-CZ 4.34Å
145A97.4Very high97Very high6 Ų622.7 Ų22.75%0.0515%0.151CC..THydrogen-bonded Turntrans52-142.2-169.500000110.3M71 D72 H143 N147 T187 V188M71-A145 HydrophobicContact CB-CB 3.73Å; M71-A145 HydrophobicContact CE-CB 4.26Å; M71-A145 HydrophobicContact CG-CB 4.23Å; M71-A145 HydrophobicContact SD-CB 4.1Å; D72-A145 VanDerWaalsContact OD2-CA 3.24Å; D72-A145 WeakPolarHBondContact OD2-CA 3.38Å; D72-A145 VanDerWaalsContact OD2-CB 3.31Å; D72-A145 WeakPolarHBondContact OD2-CB 3.43Å; H143-A145 PolarHBondContact CD2-O 3.11Å; A145-N147 VanDerWaalsContact C-N 3.28Å; A145-N147 PolarHBondContact O-N 3.44Å; A145-T187 WeakPolarHBondContact CB-OG1 3.48Å; A145-V188 HydrophobicContact CB-CG2 4.1Å
146F97.5Very high97Very high6 Ų627.3 Ų27.33%0.02617%0.168CC..THydrogen-bonded Turntrans-91.931.4167.2-65.9-62.1000112.9D72 Y74 Y85 E148 K160 L162 T166 A185 T187D72-F146 HydrophobicContact CB-CD2 3.46Å; D72-F146 VanDerWaalsContact CB-CD2 3.46Å; D72-F146 HydrophobicContact CB-CE2 3.72Å; Y74-F146 HydrophobicContact CE1-CE2 4.48Å; Y74-F146 AromaticContact CE1-CZ 3.93Å; Y74-F146 HydrophobicContact CE1-CZ 3.93Å; Y85-F146 AromaticContact CE2-CE2 3.81Å; Y85-F146 HydrophobicContact CE2-CE2 3.81Å; Y85-F146 AromaticContact CE2-CZ 3.95Å; Y85-F146 HydrophobicContact CE2-CZ 3.95Å; Y85-F146 WeakPolarHBondContact OH-CZ 3.4Å; F146-E148 PolarHBondContact O-N 2.92Å; F146-K160 WeakPolarHBondContact O-CG 3.29Å; F146-L162 HydrophobicContact CB-CD2 4.24Å; F146-L162 HydrophobicContact CD1-CD2 3.51Å; F146-L162 HydrophobicContact CD2-CD2 4.25Å; F146-L162 HydrophobicContact CE1-CD2 3.79Å; F146-L162 HydrophobicContact CE2-CD2 4.48Å; F146-L162 HydrophobicContact CG-CD2 3.76Å; F146-L162 HydrophobicContact CZ-CD2 4.26Å; F146-T166 HydrophobicContact CD1-CG2 3.97Å; F146-T166 HydrophobicContact CE1-CG2 3.6Å; F146-A185 HydrophobicContact CD2-CB 3.3Å; F146-A185 HydrophobicContact CE2-CB 3.53Å; F146-A185 HydrophobicContact CG-CB 4.07Å; F146-A185 HydrophobicContact CZ-CB 4.44Å; F146-T187 HydrophobicContact CB-CG2 3.96Å; F146-T187 PolarHBondContact N-OG1 3.03Å
147N98.1Very high97Very high0 Ų027.3 Ų27.30%017%0.168CC..  trans-78.572.7169.8-62.1-81.2000110.2H143 I144 A145 S155 R158 V188 V190 T225H143-N147 WeakPolarHBondContact CB-O 3.42Å; I144-N147 HydrophobicContact CG2-CB 4.27Å; I144-N147 WeakPolarHBondContact O-CB 3.47Å; I144-N147 PolarHBondContact O-N 3.39Å; I144-N147 PolarHBondContact O-ND2 2.93Å; A145-N147 VanDerWaalsContact C-N 3.28Å; A145-N147 PolarHBondContact O-N 3.44Å; N147-S155 PolarHBondContact OD1-OG 2.75Å; N147-R158 PolarHBondContact OD1-NH1 2.87Å; N147-R158 PolarHBondContact OD1-NH2 3.45Å; N147-V188 PolarHBondContact ND2-O 3.21Å; N147-V190 HydrophobicContact CB-CG2 3.61Å; N147-V190 PolarHBondContact OD1-N 3.22Å; N147-T225 HydrophobicContact CB-CG2 4.27Å; N147-T225 WeakPolarHBondContact O-CG2 3.27Å; N147-T225 PolarHBondContact O-OG1 3.01Å
148E95.2Very high97.1Very high3 Ų328.8 Ų28.81%0.01417%0.168CC..  trans-54.6158.3179.7-57.4-70.5-152.300112.3H143 F146 G150 S151 K160 A163 T166H143-E148 IonicContact ND1-OE2 3.18Å; H143-E148 PolarHBondContact ND1-OE2 2.84Å; F146-E148 PolarHBondContact O-N 2.92Å; E148-G150 PolarHBondContact O-N 3.1Å; E148-S151 PolarHBondContact N-OG 2.81Å; E148-S151 WeakPolarHBondContact O-CB 3.47Å; E148-S151 PolarHBondContact O-N 2.87Å; E148-S151 PolarHBondContact O-OG 2.92Å; E148-K160 HydrophobicContact CG-CG 4.42Å; E148-A163 HydrophobicContact CB-CB 4.42Å; E148-A163 HydrophobicContact CG-CB 4.15Å; E148-A163 PolarHBondContact OE1-N 2.85Å; E148-T166 VanDerWaalsContact CD-OG1 3.3Å; E148-T166 WeakPolarHBondContact OE1-CB 3.24Å; E148-T166 PolarHBondContact OE1-OG1 2.65Å; E148-T166 PolarHBondContact OE2-OG1 2.87Å
149P96.8Very high97.1Very high47 Ų4731.6 Ų31.631%0.30518%0.183SC..THydrogen-bonded Turntrans-47.8130.2176.1-29.535.1000113.1D141 M223D141-P149 HydrophobicContact CB-CG 3.96Å; D141-P149 VanDerWaalsContact OD2-CD 3.26Å; D141-P149 WeakPolarHBondContact OD2-CD 3.35Å; P149-M223 HydrophobicContact CB-CE 3.64Å; P149-M223 WeakPolarHBondContact CB-O 3.36Å; P149-M223 HydrophobicContact CB-SD 4.16Å
150G96.9Very high97.3Very high38 Ų3834 Ų3439%0.39219%0.193SC..THydrogen-bonded Turntrans93.7-6.1-17500000114.3E148 H222E148-G150 PolarHBondContact O-N 3.1Å; G150-H222 PolarHBondContact N-O 3.07Å; G150-H222 PolarHBondContact O-ND1 2.93Å
151S98.4Very high97.4Very high6 Ų635.1 Ų35.14%0.04220%0.199CC..  trans-63.8138.1175.2-68.60000112.1E148 L153 R158 K160 H222E148-S151 PolarHBondContact N-OG 2.81Å; E148-S151 WeakPolarHBondContact O-CB 3.47Å; E148-S151 PolarHBondContact O-N 2.87Å; E148-S151 PolarHBondContact O-OG 2.92Å; S151-L153 PolarHBondContact O-N 2.95Å; S151-R158 PolarHBondContact OG-NH2 3.25Å; S151-K160 WeakPolarHBondContact OG-CE 3.19Å; S151-H222 WeakPolarHBondContact O-CB 3.46Å
152S98.8Very high97.2Very high64 Ų6435 Ų3545%0.44820%0.198SC..  trans-56.2131.1174.6174.30000111.3V154 S155S152-V154 PolarHBondContact O-N 3.23Å; S152-V154 WeakPolarHBondContact OG-CG2 3.35Å; S152-V154 PolarHBondContact OG-N 2.82Å; S152-S155 WeakPolarHBondContact O-CB 3.3Å; S152-S155 PolarHBondContact O-N 3.3Å; S152-S155 VanDerWaalsContact O-N 3.11Å; S152-S155 PolarHBondContact O-OG 3.31Å
153L98.8Very high96.7Very high39 Ų3936.5 Ų36.520%0.20421%0.21CC..THydrogen-bonded Turntrans-71-10178.8-61.2-174000113.5S151 V190 I220 H222 T225 A228S151-L153 PolarHBondContact O-N 2.95Å; L153-V190 HydrophobicContact CD2-CG1 4.47Å; L153-V190 WeakPolarHBondContact O-CB 3.29Å; L153-V190 VanDerWaalsContact O-CG1 3.25Å; L153-V190 WeakPolarHBondContact O-CG1 3Å; L153-I220 HydrophobicContact CD1-CG2 3.39Å; L153-H222 HydrophobicContact CD2-CB 4.01Å; L153-H222 HydrophobicContact CG-CB 3.98Å; L153-T225 HydrophobicContact CD2-CG2 4.1Å; L153-A228 HydrophobicContact CB-CB 4.45Å; L153-A228 HydrophobicContact CD1-CB 4.47Å; L153-A228 HydrophobicContact CD2-CB 4.1Å
154V98.6Very high96.2Very high119 Ų11940.8 Ų40.872%0.72123%0.232SC*.THydrogen-bonded Turntrans-114.219.3173.8-61.80000111.8S152S152-V154 PolarHBondContact O-N 3.23Å; S152-V154 WeakPolarHBondContact OG-CG2 3.35Å; S152-V154 PolarHBondContact OG-N 2.82Å
155S98.8Very high95.4Very high11 Ų1145.6 Ų45.68%0.07726%0.257CS..  trans-62.5152-179.7510000112.8N147 S152 R158 G189 V190 G191N147-S155 PolarHBondContact OD1-OG 2.75Å; S152-S155 WeakPolarHBondContact O-CB 3.3Å; S152-S155 PolarHBondContact O-N 3.3Å; S152-S155 VanDerWaalsContact O-N 3.11Å; S152-S155 PolarHBondContact O-OG 3.31Å; S155-R158 VanDerWaalsContact CB-NH1 3.27Å; S155-R158 PolarHBondContact OG-NH1 2.86Å; S155-G189 CarbonylContact O-C 3.36Å; S155-G189 VanDerWaalsContact O-CA 3.27Å; S155-G189 WeakPolarHBondContact O-CA 3.33Å; S155-V190 PolarHBondContact O-N 3.3Å; S155-V190 PolarHBondContact OG-N 3.23Å; S155-G191 VanDerWaalsContact O-CA 3.32Å; S155-G191 WeakPolarHBondContact O-CA 3.36Å; S155-G191 PolarHBondContact O-N 2.87Å
156R98.9Very high94.8Very high101 Ų10145.6 Ų45.638%0.38126%0.257SS..  trans-100.6176.2168.3-59.4-45.7-58.5-165.4-7.3111.3E122 R158 G189 D195E122-R156 WeakPolarHBondContact OE1-CB 3.29Å; E122-R156 IonicContact OE1-CZ 3.59Å; E122-R156 IonicContact OE1-NE 2.77Å; E122-R156 PolarHBondContact OE1-NE 3.4Å; E122-R156 IonicContact OE1-NH2 3.54Å; E122-R156 IonicContact OE2-CZ 3.48Å; E122-R156 IonicContact OE2-NE 3.09Å; E122-R156 IonicContact OE2-NH2 2.69Å; E122-R156 PolarHBondContact OE2-NH2 3.36Å; R156-R158 PolarHBondContact O-N 2.91Å; R156-R158 PolarHBondContact O-NH1 3.03Å; R156-R158 VanDerWaalsContact O-NH1 3.11Å; R156-G189 VanDerWaalsContact C-CA 3.5Å; R156-G189 VanDerWaalsContact O-CA 3.3Å; R156-G189 WeakPolarHBondContact O-CA 3.27Å; R156-G189 PolarHBondContact O-N 3.43Å; R156-D195 IonicContact CZ-OD2 3.39Å; R156-D195 IonicContact NH1-OD2 2.65Å; R156-D195 PolarHBondContact NH1-OD2 3.03Å; R156-D195 IonicContact NH2-OD2 3.18Å; R156-D195 PolarHBondContact NH2-OD2 3.09Å
157T98.9Very high94.3Very high2 Ų246.2 Ų46.21%0.01226%0.26CS..SBendtrans-53.8128.9173-52.30000110.5L107 C118 F121 E122 T187L107-T157 HydrophobicContact CD1-CG2 4.04Å; L107-T157 HydrophobicContact CD2-CG2 3.89Å; C118-T157 HydrophobicContact CB-CG2 3.83Å; F121-T157 HydrophobicContact CB-CG2 4.41Å; F121-T157 HydrophobicContact CD1-CG2 4.34Å; E122-T157 WeakPolarHBondContact OE1-CB 3.37Å; E122-T157 PolarHBondContact OE1-N 3.42Å; E122-T157 PolarHBondContact OE1-OG1 2.94Å; T157-T187 CarbonylContact C-O 3.59Å; T157-T187 WeakPolarHBondContact CA-O 3.37Å
158R98.8Very high93.8Very high47 Ų4750.8 Ų50.818%0.17728%0.284CS..EExtended strand (participates in β ladder)trans-161.6166.3-172.568.1-167.7-178-65.9-2.7112.7C118 N147 S151 S155 R156 T187C118-R158 VanDerWaalsContact SG-C 3.6Å; C118-R158 VanDerWaalsContact SG-CA 3.58Å; N147-R158 PolarHBondContact OD1-NH1 2.87Å; N147-R158 PolarHBondContact OD1-NH2 3.45Å; S151-R158 PolarHBondContact OG-NH2 3.25Å; S155-R158 VanDerWaalsContact CB-NH1 3.27Å; S155-R158 PolarHBondContact OG-NH1 2.86Å; R156-R158 PolarHBondContact O-N 2.91Å; R156-R158 PolarHBondContact O-NH1 3.03Å; R156-R158 VanDerWaalsContact O-NH1 3.11Å; R158-T187 PolarHBondContact N-O 2.89Å; R158-T187 PolarHBondContact O-N 3.39Å
159L98.2Very high93.2Very high67 Ų6752.7 Ų52.735%0.35130%0.3SS..EExtended strand (participates in β ladder)trans-66134.6162.2-177.465.3000111V75 L114 M184 L186V75-L159 HydrophobicContact CG2-CD1 3.68Å; L114-L159 HydrophobicContact CD1-CD1 3.99Å; L114-L159 HydrophobicContact CD1-CD2 4.34Å; L159-M184 HydrophobicContact CD1-CB 3.92Å; L159-M184 HydrophobicContact CD1-SD 4.19Å; L159-M184 HydrophobicContact CD2-SD 4.11Å; L159-M184 HydrophobicContact CG-SD 4.41Å; L159-L186 HydrophobicContact CB-CD2 4.2Å; L159-L186 HydrophobicContact CD1-CD2 3.83Å
160K96.7Very high92.7Very high52 Ų5251.5 Ų51.523%0.22629%0.291CS..EExtended strand (participates in β ladder)trans-136.4132173.9-165.175.5-178.169.60111.5F146 E148 S151 M184 A185 T187F146-K160 WeakPolarHBondContact O-CG 3.29Å; E148-K160 HydrophobicContact CG-CG 4.42Å; S151-K160 WeakPolarHBondContact OG-CE 3.19Å; K160-M184 CarbonylContact O-C 3.57Å; K160-M184 VanDerWaalsContact O-CA 3.27Å; K160-M184 WeakPolarHBondContact O-CA 3.45Å; K160-A185 PolarHBondContact N-O 2.89Å; K160-A185 PolarHBondContact O-N 3.04Å; K160-T187 HydrophobicContact CB-CG2 3.94Å
161T94.1Very high92.3Very high88 Ų8850 Ų5054%0.5428%0.275SS..EExtended strand (participates in β ladder)trans-74.4130.3164.6-47.40000109.8T183T161-T183 WeakPolarHBondContact CA-O 3.46Å; T161-T183 WeakPolarHBondContact CG2-O 3.36Å
162L89.8Confident91.9Very high10 Ų1056.3 Ų56.35%0.05230%0.302CS..PPolyproline II helixtrans-70.1141.8179.7-55.3-171.3000110.8Y74 F146 T166 I167 P182 T183 A185Y74-L162 HydrophobicContact CD1-CD1 4.27Å; Y74-L162 HydrophobicContact CE1-CD1 3.83Å; F146-L162 HydrophobicContact CB-CD2 4.24Å; F146-L162 HydrophobicContact CD1-CD2 3.51Å; F146-L162 HydrophobicContact CD2-CD2 4.25Å; F146-L162 HydrophobicContact CE1-CD2 3.79Å; F146-L162 HydrophobicContact CE2-CD2 4.48Å; F146-L162 HydrophobicContact CG-CD2 3.76Å; F146-L162 HydrophobicContact CZ-CD2 4.26Å; L162-T166 HydrophobicContact CB-CG2 4.29Å; L162-T166 HydrophobicContact CD1-CG2 4.17Å; L162-T166 HydrophobicContact CD2-CG2 4.31Å; L162-I167 HydrophobicContact CB-CG1 4.05Å; L162-P182 WeakPolarHBondContact CD1-O 3.11Å; L162-T183 PolarHBondContact N-O 3.47Å; L162-A185 HydrophobicContact CD2-CB 3.9Å
163A85.5Confident91.5Very high32 Ų3257.4 Ų57.426%0.26430%0.297SS..PPolyproline II helixtrans-73.2158.3172.200000110.7E148 D165 T166 I167E148-A163 HydrophobicContact CB-CB 4.42Å; E148-A163 HydrophobicContact CG-CB 4.15Å; E148-A163 PolarHBondContact OE1-N 2.85Å; A163-D165 VanDerWaalsContact C-N 3.25Å; A163-D165 PolarHBondContact O-N 3.35Å; A163-T166 WeakPolarHBondContact O-CB 3.45Å; A163-T166 PolarHBondContact O-N 2.93Å; A163-T166 VanDerWaalsContact O-N 3.11Å; A163-I167 WeakPolarHBondContact O-CG1 3.27Å; A163-I167 PolarHBondContact O-N 2.97Å
164M85.6Confident91.1Very high119 Ų11956 Ų5659%0.58629%0.289SS*.Hα-helixtrans-58.1-37.5178.3-75-57.5-55.800112.7T166 I167 L168M164-T166 VanDerWaalsContact C-N 3.32Å; M164-T166 PolarHBondContact O-N 3.46Å; M164-I167 PolarHBondContact O-N 3.02Å; M164-I167 HydrophobicContact SD-CD1 4.2Å; M164-L168 WeakPolarHBondContact O-CB 3.44Å; M164-L168 VanDerWaalsContact O-CG 3.27Å; M164-L168 WeakPolarHBondContact O-CG 3.41Å; M164-L168 PolarHBondContact O-N 3.14Å
165D82.8Confident90.7Very high100 Ų10056.9 Ų56.954%0.53529%0.29SS..Hα-helixtrans-62.7-39.2177.6-67.9-23.9000111.7A163 L168 A169A163-D165 VanDerWaalsContact C-N 3.25Å; A163-D165 PolarHBondContact O-N 3.35Å; D165-L168 PolarHBondContact O-N 2.86Å; D165-A169 VanDerWaalsContact O-CB 3.3Å; D165-A169 WeakPolarHBondContact O-CB 2.97Å; D165-A169 PolarHBondContact O-N 3.45Å
166T84.2Confident90.3Very high6 Ų658.9 Ų58.94%0.03731%0.312CS..Hα-helixtrans-66.8-43.4175-59.80000111.6F146 E148 L162 A163 M164 L168 A169 N170F146-T166 HydrophobicContact CD1-CG2 3.97Å; F146-T166 HydrophobicContact CE1-CG2 3.6Å; E148-T166 VanDerWaalsContact CD-OG1 3.3Å; E148-T166 WeakPolarHBondContact OE1-CB 3.24Å; E148-T166 PolarHBondContact OE1-OG1 2.65Å; E148-T166 PolarHBondContact OE2-OG1 2.87Å; L162-T166 HydrophobicContact CB-CG2 4.29Å; L162-T166 HydrophobicContact CD1-CG2 4.17Å; L162-T166 HydrophobicContact CD2-CG2 4.31Å; A163-T166 WeakPolarHBondContact O-CB 3.45Å; A163-T166 PolarHBondContact O-N 2.93Å; A163-T166 VanDerWaalsContact O-N 3.11Å; M164-T166 VanDerWaalsContact C-N 3.32Å; M164-T166 PolarHBondContact O-N 3.46Å; T166-L168 VanDerWaalsContact C-N 3.35Å; T166-L168 PolarHBondContact O-N 2.86Å; T166-A169 PolarHBondContact O-N 2.76Å; T166-N170 WeakPolarHBondContact O-CB 3.41Å; T166-N170 PolarHBondContact O-N 2.6Å
167I87Confident89.9Confident20 Ų2057 Ų5710%0.10331%0.309CS..Hα-helixtrans-59.8-47.2175.5-65173.4000110.1L162 A163 M164 N170 A171 L178 V181L162-I167 HydrophobicContact CB-CG1 4.05Å; A163-I167 WeakPolarHBondContact O-CG1 3.27Å; A163-I167 PolarHBondContact O-N 2.97Å; M164-I167 PolarHBondContact O-N 3.02Å; M164-I167 HydrophobicContact SD-CD1 4.2Å; I167-N170 PolarHBondContact O-N 3.15Å; I167-A171 PolarHBondContact O-N 3.46Å; I167-L178 HydrophobicContact CG2-CB 4.27Å; I167-L178 HydrophobicContact CG2-CD2 3.82Å; I167-V181 HydrophobicContact CG2-CB 4.08Å; I167-V181 HydrophobicContact CG2-CG1 4.35Å; I167-V181 HydrophobicContact CG2-CG2 4.23Å
168L87.4Confident89.4Confident96 Ų9660.4 Ų60.450%0.50333%0.328SS..Hα-helixtrans-61.6-44.4177.5-72.7165.2000112.1M164 D165 T166 N170 L178M164-L168 WeakPolarHBondContact O-CB 3.44Å; M164-L168 VanDerWaalsContact O-CG 3.27Å; M164-L168 WeakPolarHBondContact O-CG 3.41Å; M164-L168 PolarHBondContact O-N 3.14Å; D165-L168 PolarHBondContact O-N 2.86Å; T166-L168 VanDerWaalsContact C-N 3.35Å; T166-L168 PolarHBondContact O-N 2.86Å; L168-N170 VanDerWaalsContact C-N 3.29Å; L168-N170 PolarHBondContact O-N 2.86Å; L168-L178 HydrophobicContact CD2-CD1 4.03Å; L168-L178 HydrophobicContact CD2-CD2 3.76Å; L168-L178 HydrophobicContact CG-CD2 4.31Å
169A82Confident89Confident42 Ų4263 Ų6335%0.34735%0.353SS..Hα-helixtrans-65.3-33179.700000112.8D165 T166 K172D165-A169 VanDerWaalsContact O-CB 3.3Å; D165-A169 WeakPolarHBondContact O-CB 2.97Å; D165-A169 PolarHBondContact O-N 3.45Å; T166-A169 PolarHBondContact O-N 2.76Å; A169-K172 WeakPolarHBondContact O-CE 3.44Å
170N86.6Confident88.7Confident22 Ų2264.7 Ų64.712%0.11836%0.357CS..Hα-helixtrans-93.1-15.7-176.4-67.2-7.9000113.4Y74 T166 I167 L168 K172 Y173 F174 V181Y74-N170 PolarHBondContact OH-ND2 3.05Å; T166-N170 WeakPolarHBondContact O-CB 3.41Å; T166-N170 PolarHBondContact O-N 2.6Å; I167-N170 PolarHBondContact O-N 3.15Å; L168-N170 VanDerWaalsContact C-N 3.29Å; L168-N170 PolarHBondContact O-N 2.86Å; N170-K172 PolarHBondContact O-N 3.2Å; N170-Y173 HydrophobicContact CB-CD2 4.28Å; N170-Y173 WeakPolarHBondContact O-CB 3.42Å; N170-Y173 WeakPolarHBondContact O-CD2 3.34Å; N170-Y173 PolarHBondContact O-N 2.9Å; N170-F174 WeakPolarHBondContact O-CD2 3.13Å; N170-V181 HydrophobicContact CB-CG1 4.31Å
171A89.8Confident88.5Confident7 Ų762.4 Ų62.46%0.05835%0.348CS..G310 helixtrans-51.5-34.1178.700000113.9I167 Y173 F174 G176 L178 V181I167-A171 PolarHBondContact O-N 3.46Å; A171-Y173 PolarHBondContact O-N 3.44Å; A171-Y173 VanDerWaalsContact O-N 3.09Å; A171-F174 CarbonylContact O-C 3.39Å; A171-F174 WeakPolarHBondContact O-CA 3.23Å; A171-F174 PolarHBondContact O-N 3.05Å; A171-G176 WeakPolarHBondContact O-CA 3.46Å; A171-G176 PolarHBondContact O-N 3.16Å; A171-L178 HydrophobicContact CB-CD2 3.61Å; A171-V181 HydrophobicContact CB-CG2 4.26Å
172K89.3Confident88.4Confident139 Ų13959 Ų5960%0.60433%0.327SS*.G310 helixtrans-57.4-22.8176.167.8-174.1178.4-179.10114.2A169 N170A169-K172 WeakPolarHBondContact O-CE 3.44Å; N170-K172 PolarHBondContact O-N 3.2Å
173Y89.2Confident88.6Confident86 Ų8662.6 Ų62.634%0.33735%0.35SS..G310 helixtrans-86.4-17.4175.8-58.1-61.9000112.4E83 N170 A171E83-Y173 WeakPolarHBondContact CG-O 3.44Å; E83-Y173 WeakPolarHBondContact OE2-CB 3.3Å; N170-Y173 HydrophobicContact CB-CD2 4.28Å; N170-Y173 WeakPolarHBondContact O-CB 3.42Å; N170-Y173 WeakPolarHBondContact O-CD2 3.34Å; N170-Y173 PolarHBondContact O-N 2.9Å; A171-Y173 PolarHBondContact O-N 3.44Å; A171-Y173 VanDerWaalsContact O-N 3.09Å
174F91.5Very high89Confident10 Ų1064.1 Ų64.14%0.04435%0.352CS..THydrogen-bonded Turntrans-115.151.8-177.2-62.5-90.4000111.1Y74 L77 E83 N170 A171 G176 D177 K180 V181 P182Y74-F174 HydrophobicContact CD2-CZ 4.46Å; Y74-F174 HydrophobicContact CE2-CE2 4.32Å; Y74-F174 HydrophobicContact CE2-CZ 4.03Å; L77-F174 HydrophobicContact CD1-CE1 4.16Å; L77-F174 HydrophobicContact CD2-CE1 4.21Å; L77-F174 HydrophobicContact CD2-CZ 4.22Å; E83-F174 HydrophobicContact CB-CE1 4.07Å; E83-F174 HydrophobicContact CB-CE2 4.49Å; E83-F174 HydrophobicContact CB-CZ 3.9Å; N170-F174 WeakPolarHBondContact O-CD2 3.13Å; A171-F174 CarbonylContact O-C 3.39Å; A171-F174 WeakPolarHBondContact O-CA 3.23Å; A171-F174 PolarHBondContact O-N 3.05Å; F174-G176 PolarHBondContact O-N 3.03Å; F174-G176 VanDerWaalsContact O-N 3.09Å; F174-D177 PolarHBondContact O-N 3.47Å; F174-K180 HydrophobicContact CB-CB 3.86Å; F174-K180 HydrophobicContact CD1-CB 4.43Å; F174-K180 WeakPolarHBondContact CD1-O 3.31Å; F174-V181 HydrophobicContact CB-CG2 4.17Å; F174-V181 HydrophobicContact CD2-CB 4.32Å; F174-V181 HydrophobicContact CD2-CG1 4.36Å; F174-V181 HydrophobicContact CD2-CG2 3.82Å; F174-V181 HydrophobicContact CE2-CG1 4.3Å; F174-V181 HydrophobicContact CG-CG2 4.18Å; F174-P182 HydrophobicContact CE1-CG 4.37Å; F174-P182 VanDerWaalsContact CZ-CD 3.47Å; F174-P182 HydrophobicContact CZ-CG 4.21Å
175D90.9Very high89.6Confident137 Ų13758.5 Ų58.573%0.73332%0.324SS*.THydrogen-bonded Turntrans58.916.8-178.5-51.8-46.8000115.3D177 K180D175-D177 PolarHBondContact O-N 3.06Å; D175-K180 IonicContact OD2-NZ 3.05Å; D175-K180 PolarHBondContact OD2-NZ 3.33Å
176G88.6Confident90.3Very high53 Ų5353.7 Ų53.755%0.54630%0.299SS..THydrogen-bonded Turntrans767.1-172.200000114.2A171 F174A171-G176 WeakPolarHBondContact O-CA 3.46Å; A171-G176 PolarHBondContact O-N 3.16Å; F174-G176 PolarHBondContact O-N 3.03Å; F174-G176 VanDerWaalsContact O-N 3.09Å
177D90.7Very high91Very high61 Ų6153.4 Ų53.433%0.32630%0.297SS..  trans-96.9111.5-177.8-173.9-12.3000111.1F174 D175 S179 K180F174-D177 PolarHBondContact O-N 3.47Å; D175-D177 PolarHBondContact O-N 3.06Å; D177-S179 VanDerWaalsContact CG-OG 3.25Å; D177-S179 PolarHBondContact O-N 2.99Å; D177-S179 WeakPolarHBondContact OD1-CB 3.2Å; D177-S179 PolarHBondContact OD1-N 2.83Å; D177-S179 PolarHBondContact OD1-OG 2.85Å; D177-S179 PolarHBondContact OD2-OG 3.33Å; D177-K180 HydrophobicContact CB-CB 4.39Å; D177-K180 HydrophobicContact CB-CD 4.01Å; D177-K180 HydrophobicContact CB-CG 3.99Å; D177-K180 PolarHBondContact O-N 2.71Å; D177-K180 VanDerWaalsContact O-N 3.13Å; D177-K180 WeakPolarHBondContact OD2-CE 3.24Å
178L89.6Confident91.6Very high75 Ų7552.5 Ų52.539%0.39329%0.292SS..G310 helixtrans-59.6-29.3179.7-62172.3000112.9I167 L168 A171 K180 V181I167-L178 HydrophobicContact CG2-CB 4.27Å; I167-L178 HydrophobicContact CG2-CD2 3.82Å; L168-L178 HydrophobicContact CD2-CD1 4.03Å; L168-L178 HydrophobicContact CD2-CD2 3.76Å; L168-L178 HydrophobicContact CG-CD2 4.31Å; A171-L178 HydrophobicContact CB-CD2 3.61Å; L178-K180 VanDerWaalsContact C-N 3.26Å; L178-K180 PolarHBondContact O-N 2.82Å; L178-V181 PolarHBondContact O-N 3.02Å
179S90.5Very high92.1Very high101 Ų10147.9 Ų47.971%0.70627%0.268SS*.G310 helixtrans-73.9-18.2-178.772.50000113.4D177D177-S179 VanDerWaalsContact CG-OG 3.25Å; D177-S179 PolarHBondContact O-N 2.99Å; D177-S179 WeakPolarHBondContact OD1-CB 3.2Å; D177-S179 PolarHBondContact OD1-N 2.83Å; D177-S179 PolarHBondContact OD1-OG 2.85Å; D177-S179 PolarHBondContact OD2-OG 3.33Å
180K90.7Very high92.9Very high102 Ų10245.9 Ų45.944%0.44325%0.252SS..G310 helixtrans-89-13.9177.8-65.8-173.4-169.1-176.40113.2F174 D175 D177 L178 P182F174-K180 HydrophobicContact CB-CB 3.86Å; F174-K180 HydrophobicContact CD1-CB 4.43Å; F174-K180 WeakPolarHBondContact CD1-O 3.31Å; D175-K180 IonicContact OD2-NZ 3.05Å; D175-K180 PolarHBondContact OD2-NZ 3.33Å; D177-K180 HydrophobicContact CB-CB 4.39Å; D177-K180 HydrophobicContact CB-CD 4.01Å; D177-K180 HydrophobicContact CB-CG 3.99Å; D177-K180 PolarHBondContact O-N 2.71Å; D177-K180 VanDerWaalsContact O-N 3.13Å; D177-K180 WeakPolarHBondContact OD2-CE 3.24Å; L178-K180 VanDerWaalsContact C-N 3.26Å; L178-K180 PolarHBondContact O-N 2.82Å; K180-P182 WeakPolarHBondContact O-CD 3.21Å
181V92.2Very high93.5Very high4 Ų445.2 Ų45.22%0.02425%0.25CS..SBendtrans-72.3127.2176.9-173.10000108.4I167 N170 A171 F174 L178 T183I167-V181 HydrophobicContact CG2-CB 4.08Å; I167-V181 HydrophobicContact CG2-CG1 4.35Å; I167-V181 HydrophobicContact CG2-CG2 4.23Å; N170-V181 HydrophobicContact CB-CG1 4.31Å; A171-V181 HydrophobicContact CB-CG2 4.26Å; F174-V181 HydrophobicContact CB-CG2 4.17Å; F174-V181 HydrophobicContact CD2-CB 4.32Å; F174-V181 HydrophobicContact CD2-CG1 4.36Å; F174-V181 HydrophobicContact CD2-CG2 3.82Å; F174-V181 HydrophobicContact CE2-CG1 4.3Å; F174-V181 HydrophobicContact CG-CG2 4.18Å; L178-V181 PolarHBondContact O-N 3.02Å; V181-T183 PolarHBondContact O-N 2.97Å
182P93.5Very high94Very high16 Ų1645 Ų4510%0.10425%0.248CC..  trans-54.7134.1174-27.136.2000111.1Y74 L77 L162 F174 K180 M184Y74-P182 HydrophobicContact CD1-CB 3.71Å; Y74-P182 HydrophobicContact CD1-CG 3.86Å; Y74-P182 HydrophobicContact CD2-CG 4.37Å; Y74-P182 HydrophobicContact CG-CB 3.99Å; Y74-P182 HydrophobicContact CG-CG 3.76Å; L77-P182 HydrophobicContact CB-CG 4.23Å; L77-P182 HydrophobicContact CD1-CG 4.24Å; L77-P182 HydrophobicContact CD2-CG 4.36Å; L162-P182 WeakPolarHBondContact CD1-O 3.11Å; F174-P182 HydrophobicContact CE1-CG 4.37Å; F174-P182 VanDerWaalsContact CZ-CD 3.47Å; F174-P182 HydrophobicContact CZ-CG 4.21Å; K180-P182 WeakPolarHBondContact O-CD 3.21Å; P182-M184 VanDerWaalsContact C-N 3.31Å
183T92.5Very high94.4Very high87 Ų8738.4 Ų38.453%0.53422%0.219SC..SBendtrans-82.2-13.3-175.755.60000113.1T161 L162 V181T161-T183 WeakPolarHBondContact CA-O 3.46Å; T161-T183 WeakPolarHBondContact CG2-O 3.36Å; L162-T183 PolarHBondContact N-O 3.47Å; V181-T183 PolarHBondContact O-N 2.97Å
184M94.7Very high94.9Very high64 Ų6436.4 Ų36.432%0.31521%0.213SC..EExtended strand (participates in β ladder)trans-137154.2-177.2-61.6-177.7-66.900111V75 L159 K160 P182V75-M184 HydrophobicContact CB-CB 4.06Å; V75-M184 HydrophobicContact CG1-CE 4.32Å; V75-M184 HydrophobicContact CG2-CB 4.33Å; V75-M184 PolarHBondContact N-O 3.35Å; L159-M184 HydrophobicContact CD1-CB 3.92Å; L159-M184 HydrophobicContact CD1-SD 4.19Å; L159-M184 HydrophobicContact CD2-SD 4.11Å; L159-M184 HydrophobicContact CG-SD 4.41Å; K160-M184 CarbonylContact O-C 3.57Å; K160-M184 VanDerWaalsContact O-CA 3.27Å; K160-M184 WeakPolarHBondContact O-CA 3.45Å; P182-M184 VanDerWaalsContact C-N 3.31Å
185A97.6Very high95.2Very high0 Ų040.9 Ų40.90%024%0.238CC..EExtended strand (participates in β ladder)trans-139.8153.3173.300000110.2E73 F146 K160 L162E73-A185 CarbonylContact O-C 3.57Å; E73-A185 VanDerWaalsContact O-CA 3.27Å; E73-A185 WeakPolarHBondContact O-CA 3.25Å; E73-A185 WeakPolarHBondContact O-CB 3.31Å; F146-A185 HydrophobicContact CD2-CB 3.3Å; F146-A185 HydrophobicContact CE2-CB 3.53Å; F146-A185 HydrophobicContact CG-CB 4.07Å; F146-A185 HydrophobicContact CZ-CB 4.44Å; K160-A185 PolarHBondContact N-O 2.89Å; K160-A185 PolarHBondContact O-N 3.04Å; L162-A185 HydrophobicContact CD2-CB 3.9Å
186L98.8Very high95.6Very high0 Ų034.6 Ų34.60%021%0.205CC..EExtended strand (participates in β ladder)trans-85.8137.4160.1-55.1-172.5000107.4D72 E73 V75 L107 D108 L114 E117 L159D72-L186 CarbonylContact C-O 3.58Å; D72-L186 WeakPolarHBondContact CA-O 3.41Å; D72-L186 VanDerWaalsContact CB-O 3.23Å; D72-L186 WeakPolarHBondContact CB-O 3.49Å; E73-L186 PolarHBondContact N-O 2.95Å; E73-L186 PolarHBondContact O-N 3.45Å; V75-L186 HydrophobicContact CG2-CD2 3.79Å; V75-L186 HydrophobicContact CG2-CG 3.84Å; L107-L186 HydrophobicContact CB-CB 3.96Å; L107-L186 HydrophobicContact CB-CD1 4.26Å; L107-L186 HydrophobicContact CD1-CB 3.79Å; L107-L186 HydrophobicContact CD2-CB 4.19Å; L107-L186 HydrophobicContact CD2-CD1 4.26Å; L107-L186 HydrophobicContact CG-CB 4.19Å; D108-L186 WeakPolarHBondContact O-CD1 3.34Å; L114-L186 HydrophobicContact CB-CD2 3.99Å; L114-L186 HydrophobicContact CD2-CD1 4.19Å; L114-L186 HydrophobicContact CD2-CD2 4.22Å; L114-L186 HydrophobicContact CG-CD2 4.48Å; E117-L186 HydrophobicContact CB-CD1 4.42Å; E117-L186 HydrophobicContact CG-CD1 3.85Å; L159-L186 HydrophobicContact CB-CD2 4.2Å; L159-L186 HydrophobicContact CD1-CD2 3.83Å
187T98.8Very high96.1Very high0 Ų038.1 Ų38.10%020%0.201CC..EExtended strand (participates in β ladder)trans-148.4142.2-177.3-171.20000111.3M71 A145 F146 T157 R158 K160M71-T187 CarbonylContact O-C 3.56Å; M71-T187 WeakPolarHBondContact O-CA 3.45Å; A145-T187 WeakPolarHBondContact CB-OG1 3.48Å; F146-T187 HydrophobicContact CB-CG2 3.96Å; F146-T187 PolarHBondContact N-OG1 3.03Å; T157-T187 CarbonylContact C-O 3.59Å; T157-T187 WeakPolarHBondContact CA-O 3.37Å; R158-T187 PolarHBondContact N-O 2.89Å; R158-T187 PolarHBondContact O-N 3.39Å; K160-T187 HydrophobicContact CB-CG2 3.94Å
188V98.9Very high96.5Very high0 Ų035.8 Ų35.80%019%0.189CC..  trans-59.4141.5167.5-60.80000109.7M71 F121 F134 A145 N147 T192 V193M71-V188 HydrophobicContact CB-CG2 4.11Å; M71-V188 HydrophobicContact CG-CG2 4.28Å; M71-V188 WeakPolarHBondContact O-CG2 3.39Å; M71-V188 PolarHBondContact O-N 3.28Å; F121-V188 HydrophobicContact CD1-CG1 4.19Å; F121-V188 HydrophobicContact CE1-CG1 3.76Å; F134-V188 HydrophobicContact CZ-CG2 4.05Å; A145-V188 HydrophobicContact CB-CG2 4.1Å; N147-V188 PolarHBondContact ND2-O 3.21Å; V188-T192 HydrophobicContact CB-CG2 4.06Å; V188-T192 HydrophobicContact CG1-CG2 4.28Å; V188-V193 HydrophobicContact CG2-CG2 3.75Å
189G98.8Very high96.9Very high0 Ų032.2 Ų32.20%017%0.17CC..  trans-76.4163.6176.100000113.4S155 R156 G191 T192 V193S155-G189 CarbonylContact O-C 3.36Å; S155-G189 VanDerWaalsContact O-CA 3.27Å; S155-G189 WeakPolarHBondContact O-CA 3.33Å; R156-G189 VanDerWaalsContact C-CA 3.5Å; R156-G189 VanDerWaalsContact O-CA 3.3Å; R156-G189 WeakPolarHBondContact O-CA 3.27Å; R156-G189 PolarHBondContact O-N 3.43Å; G189-G191 PolarHBondContact O-N 2.91Å; G189-T192 WeakPolarHBondContact CA-OG1 3.16Å; G189-T192 PolarHBondContact N-OG1 3.33Å; G189-T192 WeakPolarHBondContact O-CB 3.31Å; G189-T192 PolarHBondContact O-N 2.61Å; G189-T192 PolarHBondContact O-OG1 3.06Å; G189-T192 VanDerWaalsContact O-OG1 3.11Å; G189-V193 PolarHBondContact O-N 3.45Å
190V98.9Very high97.3Very high0 Ų027.4 Ų27.40%014%0.137CC..Hα-helixtrans-57.2-41.5174.8-177.10000110.8I144 N147 L153 S155 T192 V193 M194 T225 A228I144-V190 HydrophobicContact CG2-CG2 4.08Å; N147-V190 HydrophobicContact CB-CG2 3.61Å; N147-V190 PolarHBondContact OD1-N 3.22Å; L153-V190 HydrophobicContact CD2-CG1 4.47Å; L153-V190 WeakPolarHBondContact O-CB 3.29Å; L153-V190 VanDerWaalsContact O-CG1 3.25Å; L153-V190 WeakPolarHBondContact O-CG1 3Å; S155-V190 PolarHBondContact O-N 3.3Å; S155-V190 PolarHBondContact OG-N 3.23Å; V190-T192 VanDerWaalsContact C-N 3.32Å; V190-T192 PolarHBondContact O-N 2.99Å; V190-V193 PolarHBondContact O-N 3.4Å; V190-M194 HydrophobicContact CG1-CG 4.25Å; V190-M194 WeakPolarHBondContact O-CB 3.48Å; V190-M194 WeakPolarHBondContact O-CG 3.26Å; V190-M194 PolarHBondContact O-N 3.13Å; V190-T225 HydrophobicContact CG2-CG2 4.28Å; V190-A228 HydrophobicContact CG1-CB 3.6Å
191G98.8Very high97.7Very high8 Ų822.6 Ų22.68%0.08212%0.115CC..Hα-helixtrans-61.9-38.6175.600000112.8S155 G189 V193 M194 D195S155-G191 VanDerWaalsContact O-CA 3.32Å; S155-G191 WeakPolarHBondContact O-CA 3.36Å; S155-G191 PolarHBondContact O-N 2.87Å; G189-G191 PolarHBondContact O-N 2.91Å; G191-V193 VanDerWaalsContact C-N 3.32Å; G191-V193 PolarHBondContact O-N 3.06Å; G191-M194 CarbonylContact O-C 3.53Å; G191-M194 WeakPolarHBondContact O-CB 3.44Å; G191-M194 PolarHBondContact O-N 3.06Å; G191-D195 VanDerWaalsContact O-CG 3.28Å; G191-D195 PolarHBondContact O-N 2.95Å
192T98.9Very high98.1Very high2 Ų222.6 Ų22.61%0.01212%0.115CC..Hα-helixtrans-58.4-43.1175.4-32.40000112.1E122 I125 V188 G189 V190E122-T192 PolarHBondContact OE1-OG1 2.99Å; E122-T192 VanDerWaalsContact OE1-OG1 3.05Å; E122-T192 WeakPolarHBondContact OE2-CG2 3.26Å; I125-T192 HydrophobicContact CD1-CG2 3.84Å; V188-T192 HydrophobicContact CB-CG2 4.06Å; V188-T192 HydrophobicContact CG1-CG2 4.28Å; G189-T192 WeakPolarHBondContact CA-OG1 3.16Å; G189-T192 PolarHBondContact N-OG1 3.33Å; G189-T192 WeakPolarHBondContact O-CB 3.31Å; G189-T192 PolarHBondContact O-N 2.61Å; G189-T192 PolarHBondContact O-OG1 3.06Å; G189-T192 VanDerWaalsContact O-OG1 3.11Å; V190-T192 VanDerWaalsContact C-N 3.32Å; V190-T192 PolarHBondContact O-N 2.99Å
193V98.9Very high98.3Very high0 Ų021.9 Ų21.90%011%0.111CC..Hα-helixtrans-73.2-37.6177.3-173.50000110.8F134 I144 V188 G189 V190 G191 D195 A196 V199 F229F134-V193 HydrophobicContact CB-CG1 4.13Å; F134-V193 HydrophobicContact CD1-CG1 3.98Å; F134-V193 HydrophobicContact CD2-CB 4.35Å; F134-V193 HydrophobicContact CD2-CG1 4.07Å; F134-V193 HydrophobicContact CD2-CG2 4.27Å; F134-V193 HydrophobicContact CE1-CG2 4.32Å; F134-V193 HydrophobicContact CE2-CG2 3.99Å; F134-V193 HydrophobicContact CG-CG1 3.77Å; F134-V193 HydrophobicContact CZ-CG2 4.05Å; I144-V193 HydrophobicContact CG1-CG1 4.49Å; I144-V193 HydrophobicContact CG1-CG2 4.24Å; V188-V193 HydrophobicContact CG2-CG2 3.75Å; G189-V193 PolarHBondContact O-N 3.45Å; V190-V193 PolarHBondContact O-N 3.4Å; G191-V193 VanDerWaalsContact C-N 3.32Å; G191-V193 PolarHBondContact O-N 3.06Å; V193-D195 PolarHBondContact O-N 3.43Å; V193-A196 VanDerWaalsContact O-CB 3.25Å; V193-A196 WeakPolarHBondContact O-CB 3.43Å; V193-A196 PolarHBondContact O-N 3.02Å; V193-V199 HydrophobicContact CG1-CG1 4.24Å; V193-V199 HydrophobicContact CG1-CG2 4.13Å; V193-V199 WeakPolarHBondContact O-CG2 3.48Å; V193-F229 HydrophobicContact CB-CE1 4.16Å; V193-F229 HydrophobicContact CB-CZ 4.05Å; V193-F229 HydrophobicContact CG1-CE1 3.69Å; V193-F229 HydrophobicContact CG1-CZ 3.51Å
194M98.8Very high98.6Very high44 Ų4418.1 Ų18.122%0.2179%0.088CC..Hα-helixtrans-64.8-23.3176-71.4-76.8-62.500113.6V190 G191 A196 A228 F229 Q231 H232V190-M194 HydrophobicContact CG1-CG 4.25Å; V190-M194 WeakPolarHBondContact O-CB 3.48Å; V190-M194 WeakPolarHBondContact O-CG 3.26Å; V190-M194 PolarHBondContact O-N 3.13Å; G191-M194 CarbonylContact O-C 3.53Å; G191-M194 WeakPolarHBondContact O-CB 3.44Å; G191-M194 PolarHBondContact O-N 3.06Å; M194-A196 PolarHBondContact O-N 3.37Å; M194-A228 HydrophobicContact SD-CB 4.25Å; M194-F229 HydrophobicContact CG-CD1 4.35Å; M194-F229 HydrophobicContact CG-CE1 4.09Å; M194-F229 HydrophobicContact SD-CD1 3.42Å; M194-F229 WeakPolarHBondContact SD-CD1 3.34Å; M194-F229 HydrophobicContact SD-CE1 3.77Å; M194-F229 HydrophobicContact SD-CG 4.41Å; M194-Q231 HydrophobicContact CE-CB 4.29Å; M194-H232 HydrophobicContact CE-CB 3.93Å; M194-H232 PolarHBondContact O-CD2 3.39Å; M194-H232 PolarHBondContact O-NE2 2.98Å; M194-H232 HydrophobicContact SD-CB 3.81Å
195D98.9Very high98.8Very high105 Ų10515.7 Ų15.756%0.5618%0.079SC*.THydrogen-bonded Turntrans-76.5-9.8175.9-73.6-13.4000113.2R156 G191 V193R156-D195 IonicContact CZ-OD2 3.39Å; R156-D195 IonicContact NH1-OD2 2.65Å; R156-D195 PolarHBondContact NH1-OD2 3.03Å; R156-D195 IonicContact NH2-OD2 3.18Å; R156-D195 PolarHBondContact NH2-OD2 3.09Å; G191-D195 VanDerWaalsContact O-CG 3.28Å; G191-D195 PolarHBondContact O-N 2.95Å; V193-D195 PolarHBondContact O-N 3.43Å
196A98.9Very high98.8Very high4 Ų418.1 Ų18.13%0.03310%0.099CC..SBendtrans-63.9147.6176.100000111.2I131 F134 V193 M194 E198 V199 H232I131-A196 HydrophobicContact CB-CB 3.95Å; I131-A196 HydrophobicContact CG2-CB 4.07Å; I131-A196 WeakPolarHBondContact O-CA 3.45Å; F134-A196 HydrophobicContact CB-CB 3.68Å; F134-A196 HydrophobicContact CD2-CB 4.45Å; V193-A196 VanDerWaalsContact O-CB 3.25Å; V193-A196 WeakPolarHBondContact O-CB 3.43Å; V193-A196 PolarHBondContact O-N 3.02Å; M194-A196 PolarHBondContact O-N 3.37Å; A196-E198 PolarHBondContact O-N 3.37Å; A196-V199 HydrophobicContact CB-CG2 4.13Å; A196-H232 PolarHBondContact O-NE2 2.9Å
197R98.9Very high98.6Very high127 Ų12724 Ų2448%0.47913%0.126SC..SBendtrans-66.3-28.8175.6-70-177.6-98.1-79.23.1112.2G129 I131 D132G129-R197 PolarHBondContact O-NH1 3.34Å; G129-R197 PolarHBondContact O-NH2 3.19Å; I131-R197 PolarHBondContact O-N 2.92Å; D132-R197 IonicContact OD1-CZ 3.18Å; D132-R197 IonicContact OD1-NE 2.72Å; D132-R197 PolarHBondContact OD1-NE 3.25Å; D132-R197 IonicContact OD1-NH2 2.82Å; D132-R197 PolarHBondContact OD1-NH2 2.94Å; D132-R197 IonicContact OD2-NH2 3.78Å
198E98.9Very high98.6Very high13 Ų1325.1 Ų25.16%0.06113%0.131CC..  trans-147.6142.5176-177.8156.7-146.300110.5Y19 D132 L133 F134 A196 R234Y19-E198 PolarHBondContact OH-OE1 3.17Å; Y19-E198 PolarHBondContact OH-OE2 3.46Å; Y19-E198 VanDerWaalsContact OH-OE2 3.07Å; D132-E198 PolarHBondContact O-N 3.45Å; L133-E198 CarbonylContact C-O 3.3Å; L133-E198 WeakPolarHBondContact CA-O 3.33Å; L133-E198 HydrophobicContact CD1-CB 4.05Å; L133-E198 HydrophobicContact CD1-CG 3.72Å; F134-E198 PolarHBondContact N-O 2.95Å; A196-E198 PolarHBondContact O-N 3.37Å; E198-R234 WeakPolarHBondContact CA-O 3.19Å; E198-R234 HydrophobicContact CB-CG 4.28Å; E198-R234 HydrophobicContact CG-CG 3.95Å; E198-R234 IonicContact OE1-CZ 3.64Å; E198-R234 IonicContact OE1-NE 3.05Å; E198-R234 PolarHBondContact OE1-NE 3.34Å; E198-R234 IonicContact OE1-NH2 2.67Å; E198-R234 PolarHBondContact OE1-NH2 2.97Å; E198-R234 IonicContact OE2-CZ 3.22Å; E198-R234 IonicContact OE2-NE 3.85Å; E198-R234 PolarHBondContact OE2-NE 3.37Å; E198-R234 IonicContact OE2-NH2 3.8Å; E198-R234 PolarHBondContact OE2-NH2 2.86Å
199V98.9Very high98.6Very high0 Ų025.3 Ų25.30%013%0.132CC..EExtended strand (participates in β ladder)trans-121130.5175.8178.50000109.4F134 V193 A196 I201 F229 R234 T235 I236F134-V199 HydrophobicContact CB-CG2 4.4Å; F134-V199 CarbonylContact O-C 3.53Å; F134-V199 WeakPolarHBondContact O-CA 3.22Å; V193-V199 HydrophobicContact CG1-CG1 4.24Å; V193-V199 HydrophobicContact CG1-CG2 4.13Å; V193-V199 WeakPolarHBondContact O-CG2 3.48Å; A196-V199 HydrophobicContact CB-CG2 4.13Å; V199-I201 HydrophobicContact CG1-CD1 3.63Å; V199-I201 HydrophobicContact CG1-CG1 4.08Å; V199-F229 HydrophobicContact CB-CD1 4.48Å; V199-F229 HydrophobicContact CG1-CD1 4.13Å; V199-F229 HydrophobicContact CG1-CE1 3.98Å; V199-F229 HydrophobicContact CG1-CE2 4.39Å; V199-F229 HydrophobicContact CG1-CG 4.45Å; V199-F229 HydrophobicContact CG1-CZ 4.12Å; V199-F229 HydrophobicContact CG2-CD1 4.3Å; V199-F229 HydrophobicContact CG2-CE1 4.12Å; V199-R234 PolarHBondContact N-O 2.97Å; V199-T235 HydrophobicContact CB-CG2 4.31Å; V199-T235 HydrophobicContact CG1-CG2 4.3Å; V199-T235 CarbonylContact O-C 3.57Å; V199-T235 VanDerWaalsContact O-CA 3.3Å; V199-T235 WeakPolarHBondContact O-CA 3.35Å; V199-I236 PolarHBondContact O-N 2.67Å
200M98.9Very high98.6Very high0 Ų030 Ų300%015%0.153CC..EExtended strand (participates in β ladder)trans-118.1121.7171.5177167.673.300110.3W15 A16 Y19 I20 L133 F134 V135 G136 I236 V238W15-M200 HydrophobicContact CZ3-SD 4.48Å; A16-M200 HydrophobicContact CB-CE 3.83Å; A16-M200 HydrophobicContact CB-SD 4.06Å; Y19-M200 HydrophobicContact CD1-SD 3.89Å; I20-M200 HydrophobicContact CD1-CE 3.64Å; I20-M200 HydrophobicContact CG1-CE 3.66Å; L133-M200 HydrophobicContact CD1-CB 4.05Å; F134-M200 PolarHBondContact O-N 2.78Å; V135-M200 CarbonylContact C-O 3.32Å; V135-M200 WeakPolarHBondContact CA-O 3.41Å; V135-M200 HydrophobicContact CB-CE 4.42Å; V135-M200 HydrophobicContact CG1-CE 3.82Å; V135-M200 HydrophobicContact CG2-CE 3.74Å; G136-M200 PolarHBondContact N-O 3.37Å; M200-I236 CarbonylContact C-O 3.55Å; M200-I236 VanDerWaalsContact CA-O 3.28Å; M200-I236 WeakPolarHBondContact CA-O 3.39Å; M200-I236 HydrophobicContact CB-CG2 3.64Å; M200-I236 HydrophobicContact CG-CG2 3.8Å; M200-I236 HydrophobicContact SD-CG2 4.41Å; M200-V238 HydrophobicContact CG-CG2 4.08Å; M200-V238 HydrophobicContact SD-CG2 3.92Å
201I98.9Very high98.6Very high0 Ų030.1 Ų30.10%015%0.154CC..EExtended strand (participates in β ladder)trans-108.7117.8175.9-50.9-59000109.2G136 I138 I144 V199 I203 F229 I236 F237 V238G136-I201 WeakPolarHBondContact O-CA 3.41Å; I138-I201 HydrophobicContact CB-CG2 4.46Å; I144-I201 HydrophobicContact CD1-CD1 3.98Å; V199-I201 HydrophobicContact CG1-CD1 3.63Å; V199-I201 HydrophobicContact CG1-CG1 4.08Å; I201-I203 HydrophobicContact CG2-CD1 3.81Å; I201-I203 HydrophobicContact CG2-CG1 3.7Å; I201-F229 HydrophobicContact CD1-CD2 4.24Å; I201-F229 HydrophobicContact CD1-CE2 3.83Å; I201-F229 HydrophobicContact CD1-CZ 4.49Å; I201-F229 HydrophobicContact CG1-CD2 4.23Å; I201-F229 HydrophobicContact CG1-CE2 4.33Å; I201-I236 PolarHBondContact N-O 2.94Å; I201-F237 HydrophobicContact CB-CD1 3.7Å; I201-F237 HydrophobicContact CB-CE1 3.86Å; I201-F237 HydrophobicContact CG1-CD1 4.17Å; I201-F237 HydrophobicContact CG1-CE1 3.85Å; I201-F237 HydrophobicContact CG1-CZ 4.5Å; I201-F237 HydrophobicContact CG2-CD1 4.16Å; I201-F237 HydrophobicContact CG2-CE1 4.22Å; I201-F237 WeakPolarHBondContact O-CA 3.38Å; I201-V238 PolarHBondContact O-N 3.49Å
202L98.9Very high98.6Very high4 Ų429.7 Ų29.72%0.02115%0.15CC..EExtended strand (participates in β ladder)trans-94.8126.2176.2-177.563.3000110.2A12 A16 T44 C48 G136 T204 V238A12-L202 HydrophobicContact CB-CD1 4.16Å; A16-L202 HydrophobicContact CB-CD1 4.28Å; A16-L202 HydrophobicContact CB-CD2 4.49Å; T44-L202 HydrophobicContact CG2-CB 4.16Å; T44-L202 HydrophobicContact CG2-CD2 3.89Å; T44-L202 HydrophobicContact CG2-CG 3.66Å; T44-L202 WeakPolarHBondContact CG2-O 3.41Å; C48-L202 HydrophobicContact CB-CD2 4.42Å; G136-L202 PolarHBondContact O-N 2.94Å; L202-T204 HydrophobicContact CD1-CG2 4.37Å; L202-V238 CarbonylContact C-O 3.57Å; L202-V238 WeakPolarHBondContact CA-O 3.15Å; L202-V238 HydrophobicContact CD1-CB 3.99Å; L202-V238 HydrophobicContact CD1-CG1 3.91Å
203I98.8Very high98.6Very high1 Ų132.2 Ų32.21%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-137.5115.3-171.1-49.4177.9000109.8I138 I201 K208 L212 F237 V238 C239 D240 A243I138-I203 HydrophobicContact CB-CD1 4.33Å; I138-I203 HydrophobicContact CB-CG1 4.36Å; I138-I203 HydrophobicContact CG2-CB 4.1Å; I138-I203 HydrophobicContact CG2-CD1 3.78Å; I138-I203 HydrophobicContact CG2-CG1 3.61Å; I138-I203 HydrophobicContact CG2-CG2 3.54Å; I201-I203 HydrophobicContact CG2-CD1 3.81Å; I201-I203 HydrophobicContact CG2-CG1 3.7Å; I203-K208 HydrophobicContact CG2-CB 3.67Å; I203-K208 HydrophobicContact CG2-CG 4.42Å; I203-L212 HydrophobicContact CD1-CB 4.45Å; I203-L212 HydrophobicContact CD1-CD1 3.59Å; I203-L212 HydrophobicContact CD1-CD2 4.39Å; I203-L212 HydrophobicContact CD1-CG 4.35Å; I203-F237 HydrophobicContact CD1-CD1 3.82Å; I203-F237 HydrophobicContact CD1-CE1 4.44Å; I203-V238 PolarHBondContact N-O 2.62Å; I203-C239 HydrophobicContact CB-CB 4.16Å; I203-C239 WeakPolarHBondContact O-CA 3.4Å; I203-C239 WeakPolarHBondContact O-CB 3.26Å; I203-D240 PolarHBondContact O-N 3.26Å; I203-A243 HydrophobicContact CB-CB 4.49Å; I203-A243 HydrophobicContact CG2-CB 3.85Å
204T98.6Very high98.5Very high9 Ų933.8 Ų33.86%0.05517%0.166CC..  trans-135.2136.6-175.658.80000112.2Y9 A12 L202 H207 D240Y9-T204 HydrophobicContact CD2-CG2 3.82Å; A12-T204 HydrophobicContact CB-CG2 4.04Å; L202-T204 HydrophobicContact CD1-CG2 4.37Å; T204-H207 PolarHBondContact O-CE1 3.31Å; T204-D240 WeakPolarHBondContact CA-OD1 3.48Å; T204-D240 WeakPolarHBondContact CA-OD2 3.25Å; T204-D240 WeakPolarHBondContact CB-OD2 3.29Å
205G98.1Very high98.5Very high13 Ų1331.7 Ų31.713%0.13416%0.156CC..SBendtrans92.7151.8174.100000114.8H207 K208 D240G205-H207 PolarHBondContact O-N 3Å; G205-H207 VanDerWaalsContact O-N 3.15Å; G205-K208 PolarHBondContact O-N 3.28Å; G205-D240 VanDerWaalsContact N-CG 3.33Å; G205-D240 PolarHBondContact N-OD1 3.29Å; G205-D240 PolarHBondContact N-OD2 3.47Å
206A98.3Very high98.5Very high51 Ų5127.6 Ų27.642%0.42113%0.134SC..G310 helixtrans-58.5-33-173.300000113.8K208 A209 D242 L245A206-K208 PolarHBondContact O-N 3.38Å; A206-A209 VanDerWaalsContact O-CB 3.31Å; A206-A209 WeakPolarHBondContact O-CB 3.06Å; A206-A209 PolarHBondContact O-N 2.94Å; A206-D242 WeakPolarHBondContact CA-O 3.36Å; A206-D242 HydrophobicContact CB-CB 4.33Å; A206-L245 HydrophobicContact CB-CD1 3.61Å
207H95.8Very high98.5Very high123 Ų12329.2 Ų29.257%0.56914%0.141SC*.G310 helixtrans-63-8177.668.8-74.6000114.2T204 G205T204-H207 PolarHBondContact O-CE1 3.31Å; G205-H207 PolarHBondContact O-N 3Å; G205-H207 VanDerWaalsContact O-N 3.15Å
208K97.9Very high98.5Very high24 Ų2426 Ų2610%0.10413%0.131CC..G310 helixtrans-109.3-3174.1-58-58.4-177.364.90113.8I138 I203 G205 A206 F210 A211 L212I138-K208 HydrophobicContact CG2-CB 4.32Å; I138-K208 HydrophobicContact CG2-CD 4.44Å; I138-K208 WeakPolarHBondContact O-CD 3.38Å; I138-K208 WeakPolarHBondContact O-CE 3.18Å; I138-K208 PolarHBondContact O-NZ 3.1Å; I203-K208 HydrophobicContact CG2-CB 3.67Å; I203-K208 HydrophobicContact CG2-CG 4.42Å; G205-K208 PolarHBondContact O-N 3.28Å; A206-K208 PolarHBondContact O-N 3.38Å; K208-F210 PolarHBondContact O-N 2.84Å; K208-A211 PolarHBondContact O-N 2.87Å; K208-L212 PolarHBondContact O-N 3.4Å
209A98.7Very high98.5Very high3 Ų327.7 Ų27.73%0.02515%0.152CC..Hα-helixtrans-61.9-42.8-172.800000112.8A206 A211 L212 Y213 A243 L245 E246A206-A209 VanDerWaalsContact O-CB 3.31Å; A206-A209 WeakPolarHBondContact O-CB 3.06Å; A206-A209 PolarHBondContact O-N 2.94Å; A209-A211 PolarHBondContact O-N 3.34Å; A209-L212 PolarHBondContact O-N 3.38Å; A209-Y213 PolarHBondContact O-N 3.42Å; A209-A243 VanDerWaalsContact CA-O 3.25Å; A209-A243 WeakPolarHBondContact CA-O 3.29Å; A209-A243 WeakPolarHBondContact CB-O 3.38Å; A209-L245 HydrophobicContact CB-CB 4.02Å; A209-E246 HydrophobicContact CB-CB 4.24Å; A209-E246 HydrophobicContact CB-CG 3.85Å
210F98.6Very high98.5Very high100 Ų10031.1 Ų31.144%0.43917%0.17SC..Hα-helixtrans-64.4-42.2178.4-170.8-108000112.5K208 L212 Y213 K214 W224 E246K208-F210 PolarHBondContact O-N 2.84Å; F210-L212 VanDerWaalsContact C-N 3.34Å; F210-L212 PolarHBondContact O-N 2.95Å; F210-Y213 HydrophobicContact CD2-CD1 4.21Å; F210-Y213 HydrophobicContact CE2-CD1 4.18Å; F210-Y213 HydrophobicContact CE2-CE1 4.39Å; F210-Y213 WeakPolarHBondContact O-CB 3.17Å; F210-Y213 PolarHBondContact O-N 3.22Å; F210-K214 HydrophobicContact CD1-CG 4.24Å; F210-K214 HydrophobicContact CE1-CD 4.46Å; F210-K214 HydrophobicContact CE1-CG 4Å; F210-K214 HydrophobicContact CZ-CD 4.37Å; F210-K214 HydrophobicContact CZ-CG 4.3Å; F210-K214 WeakPolarHBondContact O-CG 3.48Å; F210-K214 PolarHBondContact O-N 3.43Å; F210-W224 AromaticContact CD1-CH2 3.86Å; F210-W224 HydrophobicContact CD1-CH2 3.86Å; F210-W224 HydrophobicContact CD1-CZ3 4.29Å; F210-W224 AromaticContact CE1-CH2 3.63Å; F210-W224 HydrophobicContact CE1-CH2 3.63Å; F210-W224 AromaticContact CE1-CZ2 4Å; F210-W224 HydrophobicContact CE1-CZ2 4Å; F210-W224 HydrophobicContact CE1-CZ3 4.45Å; F210-E246 HydrophobicContact CB-CG 4.28Å; F210-E246 HydrophobicContact CD2-CG 4.47Å
211A98.3Very high98.5Very high1 Ų134 Ų341%0.00819%0.185CC..Hα-helixtrans-63-40.3175.800000111.8I138 G139 K208 A209 K214 A215 W224I138-A211 HydrophobicContact CD1-CB 3.68Å; I138-A211 HydrophobicContact CG1-CB 4.03Å; G139-A211 VanDerWaalsContact O-CB 3.29Å; G139-A211 WeakPolarHBondContact O-CB 3.14Å; K208-A211 PolarHBondContact O-N 2.87Å; A209-A211 PolarHBondContact O-N 3.34Å; A211-K214 PolarHBondContact O-N 2.86Å; A211-A215 VanDerWaalsContact O-CB 3.3Å; A211-A215 WeakPolarHBondContact O-CB 3.37Å; A211-A215 PolarHBondContact O-N 3.42Å; A211-W224 HydrophobicContact CB-CZ3 4.41Å
212L98.8Very high98.4Very high0 Ų038.3 Ų38.30%021%0.205CC..Hα-helixtrans-62-48.2174.518051.2000111.1I203 K208 A209 F210 K214 A215 I216 F237 C239 A243 L247I203-L212 HydrophobicContact CD1-CB 4.45Å; I203-L212 HydrophobicContact CD1-CD1 3.59Å; I203-L212 HydrophobicContact CD1-CD2 4.39Å; I203-L212 HydrophobicContact CD1-CG 4.35Å; K208-L212 PolarHBondContact O-N 3.4Å; A209-L212 PolarHBondContact O-N 3.38Å; F210-L212 VanDerWaalsContact C-N 3.34Å; F210-L212 PolarHBondContact O-N 2.95Å; L212-K214 VanDerWaalsContact C-N 3.33Å; L212-K214 PolarHBondContact O-N 2.87Å; L212-A215 PolarHBondContact O-N 2.97Å; L212-A215 VanDerWaalsContact O-N 3.09Å; L212-I216 HydrophobicContact CD1-CD1 3.76Å; L212-I216 HydrophobicContact CD1-CG1 4.1Å; L212-I216 HydrophobicContact CD1-CG2 3.86Å; L212-I216 HydrophobicContact CG-CD1 4.14Å; L212-I216 WeakPolarHBondContact O-CG1 3.49Å; L212-I216 PolarHBondContact O-N 2.97Å; L212-F237 HydrophobicContact CD1-CD1 4.36Å; L212-C239 HydrophobicContact CD2-CB 4.37Å; L212-A243 HydrophobicContact CD2-CB 4.35Å; L212-A243 WeakPolarHBondContact CD2-O 3.49Å; L212-L247 HydrophobicContact CD2-CD1 4.11Å; L212-L247 HydrophobicContact CG-CD1 4.37Å; L212-L247 HydrophobicContact CG-CD2 4.3Å
213Y98.9Very high98.4Very high54 Ų5442.1 Ų42.121%0.21222%0.224CC..Hα-helixtrans-52.3-50.4174158.5-98.2000111.9A209 F210 A215 I216 E217 E218 E246A209-Y213 PolarHBondContact O-N 3.42Å; F210-Y213 HydrophobicContact CD2-CD1 4.21Å; F210-Y213 HydrophobicContact CE2-CD1 4.18Å; F210-Y213 HydrophobicContact CE2-CE1 4.39Å; F210-Y213 WeakPolarHBondContact O-CB 3.17Å; F210-Y213 PolarHBondContact O-N 3.22Å; Y213-A215 VanDerWaalsContact C-N 3.29Å; Y213-A215 PolarHBondContact O-N 3.3Å; Y213-I216 PolarHBondContact O-N 3.34Å; Y213-E217 HydrophobicContact CD2-CB 3.82Å; Y213-E217 HydrophobicContact CD2-CG 4.23Å; Y213-E217 HydrophobicContact CE2-CB 3.92Å; Y213-E217 WeakPolarHBondContact O-CB 3.34Å; Y213-E217 PolarHBondContact O-N 2.85Å; Y213-E218 HydrophobicContact CE1-CG 3.99Å; Y213-E218 WeakPolarHBondContact CE1-OE1 3.27Å; Y213-E218 PolarHBondContact O-N 3.42Å; Y213-E218 PolarHBondContact OH-OE1 3.11Å; Y213-E246 WeakPolarHBondContact CD2-O 3.43Å; Y213-E246 HydrophobicContact CG-CB 4.35Å
214K98.8Very high98.4Very high33 Ų3344.2 Ų44.214%0.14323%0.232CC..Hα-helixtrans-60.3-38.5177.1-70.8-64.5-166.4-178.10112.9F210 A211 L212 E218 W224F210-K214 HydrophobicContact CD1-CG 4.24Å; F210-K214 HydrophobicContact CE1-CD 4.46Å; F210-K214 HydrophobicContact CE1-CG 4Å; F210-K214 HydrophobicContact CZ-CD 4.37Å; F210-K214 HydrophobicContact CZ-CG 4.3Å; F210-K214 WeakPolarHBondContact O-CG 3.48Å; F210-K214 PolarHBondContact O-N 3.43Å; A211-K214 PolarHBondContact O-N 2.86Å; L212-K214 VanDerWaalsContact C-N 3.33Å; L212-K214 PolarHBondContact O-N 2.87Å; K214-E218 HydrophobicContact CD-CG 4.19Å; K214-E218 WeakPolarHBondContact CD-OE2 3.45Å; K214-E218 IonicContact NZ-OE1 2.94Å; K214-E218 PolarHBondContact NZ-OE1 2.68Å; K214-E218 IonicContact NZ-OE2 3.7Å; K214-E218 PolarHBondContact NZ-OE2 2.91Å; K214-W224 HydrophobicContact CB-CB 4.24Å; K214-W224 HydrophobicContact CB-CD2 3.42Å; K214-W224 VanDerWaalsContact CB-CD2 3.42Å; K214-W224 HydrophobicContact CB-CE3 3.55Å; K214-W224 HydrophobicContact CB-CG 3.69Å; K214-W224 HydrophobicContact CB-CZ3 4.19Å; K214-W224 HydrophobicContact CD-CD2 4.22Å; K214-W224 HydrophobicContact CD-CZ2 4.09Å; K214-W224 HydrophobicContact CG-CD2 3.6Å; K214-W224 HydrophobicContact CG-CE3 3.74Å; K214-W224 HydrophobicContact CG-CG 4.24Å; K214-W224 HydrophobicContact CG-CH2 3.95Å; K214-W224 HydrophobicContact CG-CZ2 3.75Å; K214-W224 HydrophobicContact CG-CZ3 3.92Å
215A98.6Very high98.4Very high0 Ų043.8 Ų43.80%023%0.229CC..Hα-helixtrans-73.2-32-177.200000113.7I138 A211 L212 Y213 V226 S227 Q230I138-A215 HydrophobicContact CD1-CB 4.04Å; A211-A215 VanDerWaalsContact O-CB 3.3Å; A211-A215 WeakPolarHBondContact O-CB 3.37Å; A211-A215 PolarHBondContact O-N 3.42Å; L212-A215 PolarHBondContact O-N 2.97Å; L212-A215 VanDerWaalsContact O-N 3.09Å; Y213-A215 VanDerWaalsContact C-N 3.29Å; Y213-A215 PolarHBondContact O-N 3.3Å; A215-V226 HydrophobicContact CB-CB 4.03Å; A215-V226 HydrophobicContact CB-CG1 3.78Å; A215-S227 WeakPolarHBondContact O-CA 3.32Å; A215-Q230 PolarHBondContact O-NE2 2.81Å
216I98.7Very high98.4Very high20 Ų2043.2 Ų43.210%0.10322%0.223CC..Hα-helixtrans-122.5-18.6-170.176.8174.1000115.9M1 L3 L212 Y213 F237 L247M1-I216 HydrophobicContact CE-CB 3.98Å; M1-I216 HydrophobicContact CE-CD1 4Å; M1-I216 HydrophobicContact CE-CG1 4.37Å; M1-I216 HydrophobicContact SD-CB 3.96Å; M1-I216 HydrophobicContact SD-CG2 3.92Å; L3-I216 HydrophobicContact CD2-CD1 4.04Å; L212-I216 HydrophobicContact CD1-CD1 3.76Å; L212-I216 HydrophobicContact CD1-CG1 4.1Å; L212-I216 HydrophobicContact CD1-CG2 3.86Å; L212-I216 HydrophobicContact CG-CD1 4.14Å; L212-I216 WeakPolarHBondContact O-CG1 3.49Å; L212-I216 PolarHBondContact O-N 2.97Å; Y213-I216 PolarHBondContact O-N 3.34Å; I216-F237 HydrophobicContact CG2-CD1 4.5Å; I216-F237 HydrophobicContact CG2-CD2 4.33Å; I216-F237 HydrophobicContact CG2-CE1 4.16Å; I216-F237 HydrophobicContact CG2-CE2 3.97Å; I216-F237 HydrophobicContact CG2-CZ 3.88Å; I216-L247 HydrophobicContact CD1-CD1 4.02Å; I216-L247 HydrophobicContact CD1-CD2 3.93Å; I216-L247 HydrophobicContact CG1-CD2 3.99Å
217E98.8Very high98.4Very high37 Ų3740.8 Ų40.817%0.17320%0.203CC..THydrogen-bonded Turntrans-107.6-25.4177.5-64.7-156164.500114Y213 L247 K248 T251Y213-E217 HydrophobicContact CD2-CB 3.82Å; Y213-E217 HydrophobicContact CD2-CG 4.23Å; Y213-E217 HydrophobicContact CE2-CB 3.92Å; Y213-E217 WeakPolarHBondContact O-CB 3.34Å; Y213-E217 PolarHBondContact O-N 2.85Å; E217-L247 HydrophobicContact CG-CD2 3.93Å; E217-K248 WeakPolarHBondContact OE1-CB 3.35Å; E217-K248 PolarHBondContact OE1-N 3.29Å; E217-K248 VanDerWaalsContact OE2-CD 3.29Å; E217-K248 WeakPolarHBondContact OE2-CD 3.35Å; E217-K248 WeakPolarHBondContact OE2-CE 3.43Å; E217-K248 VanDerWaalsContact OE2-CG 3.27Å; E217-K248 WeakPolarHBondContact OE2-CG 3.43Å; E217-K248 PolarHBondContact OE2-N 2.9Å; E217-K248 IonicContact OE2-NZ 3.49Å; E217-T251 WeakPolarHBondContact OE1-CB 3.41Å; E217-T251 PolarHBondContact OE1-OG1 3.36Å
218E98.7Very high98.6Very high60 Ų6035 Ų3528%0.2818%0.176SC..SBendtrans-86.9179.2167.3-65.8-165.8-175.600111.4Y213 K214 Q230Y213-E218 HydrophobicContact CE1-CG 3.99Å; Y213-E218 WeakPolarHBondContact CE1-OE1 3.27Å; Y213-E218 PolarHBondContact O-N 3.42Å; Y213-E218 PolarHBondContact OH-OE1 3.11Å; K214-E218 HydrophobicContact CD-CG 4.19Å; K214-E218 WeakPolarHBondContact CD-OE2 3.45Å; K214-E218 IonicContact NZ-OE1 2.94Å; K214-E218 PolarHBondContact NZ-OE1 2.68Å; K214-E218 IonicContact NZ-OE2 3.7Å; K214-E218 PolarHBondContact NZ-OE2 2.91Å; E218-Q230 PolarHBondContact O-NE2 2.94Å
219G98.3Very high98.6Very high49 Ų4933.9 Ų33.951%0.50517%0.172SC..  trans-82166.9179.700000113.3N221G219-N221 PolarHBondContact O-N 3.24Å
220I98.8Very high98.6Very high71 Ų7137.6 Ų37.636%0.36419%0.188SC..  trans-55.4121.2172.4-60.9147000109.7L153 Q230 Q231L153-I220 HydrophobicContact CD1-CG2 3.39Å; I220-Q230 HydrophobicContact CD1-CB 4.44Å; I220-Q230 HydrophobicContact CG1-CB 3.97Å; I220-Q231 VanDerWaalsContact CD1-CD 3.44Å; I220-Q231 HydrophobicContact CD1-CG 3.33Å; I220-Q231 HydrophobicContact CG1-CG 4.16Å
221N98.6Very high98.7Very high60 Ų6039.3 Ų39.332%0.32120%0.198SC..  trans-150.5128-174.7-171.1-23.5000110.5G219 M223 W224 S227G219-N221 PolarHBondContact O-N 3.24Å; N221-M223 PolarHBondContact O-N 2.8Å; N221-M223 VanDerWaalsContact O-N 3.09Å; N221-M223 WeakPolarHBondContact OD1-CB 3.45Å; N221-M223 WeakPolarHBondContact OD1-CG 3.45Å; N221-M223 PolarHBondContact OD1-N 3.01Å; N221-W224 CarbonylContact O-C 3.55Å; N221-W224 VanDerWaalsContact O-C 3.3Å; N221-W224 PolarHBondContact O-N 2.6Å; N221-W224 VanDerWaalsContact O-O 3.09Å; N221-S227 PolarHBondContact N-OG 2.82Å; N221-S227 PolarHBondContact O-OG 3.13Å; N221-S227 VanDerWaalsContact O-OG 3.08Å
222H98.3Very high98.7Very high91 Ų9139.8 Ų39.842%0.42120%0.2SC..THydrogen-bonded Turntrans-65.7-9.8178.475.8157.7000115G150 S151 L153 W224 T225G150-H222 PolarHBondContact N-O 3.07Å; G150-H222 PolarHBondContact O-ND1 2.93Å; S151-H222 WeakPolarHBondContact O-CB 3.46Å; L153-H222 HydrophobicContact CD2-CB 4.01Å; L153-H222 HydrophobicContact CG-CB 3.98Å; H222-W224 VanDerWaalsContact C-N 3.29Å; H222-T225 WeakPolarHBondContact O-CG2 3.27Å
223M98.1Very high98.7Very high84 Ų8445.9 Ų45.941%0.41424%0.24SC..THydrogen-bonded Turntrans-76.7-16.8169.9-62.2-54.6-6900113P149 N221P149-M223 HydrophobicContact CB-CE 3.64Å; P149-M223 WeakPolarHBondContact CB-O 3.36Å; P149-M223 HydrophobicContact CB-SD 4.16Å; N221-M223 PolarHBondContact O-N 2.8Å; N221-M223 VanDerWaalsContact O-N 3.09Å; N221-M223 WeakPolarHBondContact OD1-CB 3.45Å; N221-M223 WeakPolarHBondContact OD1-CG 3.45Å; N221-M223 PolarHBondContact OD1-N 3.01Å
224W98.4Very high98.7Very high45 Ų4549.5 Ų49.517%0.1725%0.253CS..SBendtrans-134.976.5179.7-55.493.8000107.7D141 G142 F210 A211 K214 N221 H222 V226 S227D141-W224 VanDerWaalsContact C-CE3 3.43Å; D141-W224 WeakPolarHBondContact O-CZ3 3.36Å; G142-W224 CarbonylContact O-C 3.58Å; F210-W224 AromaticContact CD1-CH2 3.86Å; F210-W224 HydrophobicContact CD1-CH2 3.86Å; F210-W224 HydrophobicContact CD1-CZ3 4.29Å; F210-W224 AromaticContact CE1-CH2 3.63Å; F210-W224 HydrophobicContact CE1-CH2 3.63Å; F210-W224 AromaticContact CE1-CZ2 4Å; F210-W224 HydrophobicContact CE1-CZ2 4Å; F210-W224 HydrophobicContact CE1-CZ3 4.45Å; A211-W224 HydrophobicContact CB-CZ3 4.41Å; K214-W224 HydrophobicContact CB-CB 4.24Å; K214-W224 HydrophobicContact CB-CD2 3.42Å; K214-W224 VanDerWaalsContact CB-CD2 3.42Å; K214-W224 HydrophobicContact CB-CE3 3.55Å; K214-W224 HydrophobicContact CB-CG 3.69Å; K214-W224 HydrophobicContact CB-CZ3 4.19Å; K214-W224 HydrophobicContact CD-CD2 4.22Å; K214-W224 HydrophobicContact CD-CZ2 4.09Å; K214-W224 HydrophobicContact CG-CD2 3.6Å; K214-W224 HydrophobicContact CG-CE3 3.74Å; K214-W224 HydrophobicContact CG-CG 4.24Å; K214-W224 HydrophobicContact CG-CH2 3.95Å; K214-W224 HydrophobicContact CG-CZ2 3.75Å; K214-W224 HydrophobicContact CG-CZ3 3.92Å; N221-W224 CarbonylContact O-C 3.55Å; N221-W224 VanDerWaalsContact O-C 3.3Å; N221-W224 PolarHBondContact O-N 2.6Å; N221-W224 VanDerWaalsContact O-O 3.09Å; H222-W224 VanDerWaalsContact C-N 3.29Å; W224-V226 PolarHBondContact O-N 2.93Å; W224-V226 VanDerWaalsContact O-N 3.1Å; W224-S227 WeakPolarHBondContact O-CB 3.22Å; W224-S227 PolarHBondContact O-N 3.18Å; W224-S227 PolarHBondContact O-OG 3.46Å
225T98.7Very high98.7Very high1 Ų148.2 Ų48.21%0.00625%0.247CC..G310 helixtrans-63.9-23.3-160.955.50000114.7G142 H143 I144 N147 L153 V190 H222 S227 A228G142-T225 PolarHBondContact O-N 3.28Å; G142-T225 VanDerWaalsContact O-N 3.13Å; H143-T225 WeakPolarHBondContact CA-OG1 3.35Å; I144-T225 PolarHBondContact N-OG1 2.88Å; I144-T225 VanDerWaalsContact N-OG1 3.12Å; N147-T225 HydrophobicContact CB-CG2 4.27Å; N147-T225 WeakPolarHBondContact O-CG2 3.27Å; N147-T225 PolarHBondContact O-OG1 3.01Å; L153-T225 HydrophobicContact CD2-CG2 4.1Å; V190-T225 HydrophobicContact CG2-CG2 4.28Å; H222-T225 WeakPolarHBondContact O-CG2 3.27Å; T225-S227 PolarHBondContact O-N 3.44Å; T225-A228 VanDerWaalsContact O-CB 3.24Å; T225-A228 WeakPolarHBondContact O-CB 3.49Å; T225-A228 PolarHBondContact O-N 2.98Å; T225-A228 VanDerWaalsContact O-N 3.08Å
226V98.8Very high98.7Very high0 Ų048.2 Ų48.20%025%0.248CC..G310 helixtrans-60.3-24.1169.7174.60000112.6I138 G142 I144 A215 W224 A228 F229 F237I138-V226 HydrophobicContact CB-CG2 4.19Å; I138-V226 HydrophobicContact CD1-CB 4.01Å; I138-V226 HydrophobicContact CD1-CG1 4.08Å; I138-V226 HydrophobicContact CD1-CG2 4.05Å; I138-V226 HydrophobicContact CG1-CB 4.29Å; I138-V226 HydrophobicContact CG1-CG2 3.77Å; G142-V226 WeakPolarHBondContact O-CG2 3.47Å; G142-V226 PolarHBondContact O-N 2.95Å; I144-V226 HydrophobicContact CB-CG2 3.9Å; A215-V226 HydrophobicContact CB-CB 4.03Å; A215-V226 HydrophobicContact CB-CG1 3.78Å; W224-V226 PolarHBondContact O-N 2.93Å; W224-V226 VanDerWaalsContact O-N 3.1Å; V226-A228 PolarHBondContact O-N 2.9Å; V226-A228 VanDerWaalsContact O-N 3.13Å; V226-F229 HydrophobicContact CB-CD2 4.38Å; V226-F229 HydrophobicContact CG1-CD2 3.91Å; V226-F229 HydrophobicContact CG1-CE2 4.35Å; V226-F229 HydrophobicContact CG2-CE2 4.41Å; V226-F229 WeakPolarHBondContact O-CD2 3.47Å; V226-F229 PolarHBondContact O-N 3.49Å; V226-F229 VanDerWaalsContact O-N 3.09Å; V226-F237 HydrophobicContact CG1-CE1 3.67Å; V226-F237 HydrophobicContact CG1-CZ 4.14Å
227S98.9Very high98.7Very high0 Ų047.4 Ų47.40%024%0.243CC..G310 helixtrans-60.8-19.7173.869.40000113.6A215 N221 W224 T225 F229 Q230A215-S227 WeakPolarHBondContact O-CA 3.32Å; N221-S227 PolarHBondContact N-OG 2.82Å; N221-S227 PolarHBondContact O-OG 3.13Å; N221-S227 VanDerWaalsContact O-OG 3.08Å; W224-S227 WeakPolarHBondContact O-CB 3.22Å; W224-S227 PolarHBondContact O-N 3.18Å; W224-S227 PolarHBondContact O-OG 3.46Å; T225-S227 PolarHBondContact O-N 3.44Å; S227-F229 PolarHBondContact O-N 3.04Å; S227-Q230 WeakPolarHBondContact O-CB 3.5Å; S227-Q230 VanDerWaalsContact O-CG 3.27Å; S227-Q230 WeakPolarHBondContact O-CG 3.3Å; S227-Q230 PolarHBondContact O-N 2.77Å; S227-Q230 VanDerWaalsContact O-N 3.09Å
228A98.9Very high98.7Very high2 Ų245.7 Ų45.72%0.01724%0.235CC..G310 helixtrans-57-32.2173.100000112.5L153 V190 M194 T225 V226 Q230 Q231L153-A228 HydrophobicContact CB-CB 4.45Å; L153-A228 HydrophobicContact CD1-CB 4.47Å; L153-A228 HydrophobicContact CD2-CB 4.1Å; V190-A228 HydrophobicContact CG1-CB 3.6Å; M194-A228 HydrophobicContact SD-CB 4.25Å; T225-A228 VanDerWaalsContact O-CB 3.24Å; T225-A228 WeakPolarHBondContact O-CB 3.49Å; T225-A228 PolarHBondContact O-N 2.98Å; T225-A228 VanDerWaalsContact O-N 3.08Å; V226-A228 PolarHBondContact O-N 2.9Å; V226-A228 VanDerWaalsContact O-N 3.13Å; A228-Q230 PolarHBondContact O-N 3.01Å; A228-Q230 VanDerWaalsContact O-N 3.08Å; A228-Q231 PolarHBondContact O-N 2.68Å
229F98.8Very high98.7Very high1 Ų142.8 Ų42.80%0.00422%0.222CC..G310 helixtrans-69.7-5.4-179.8-58-55.4000114I144 V193 M194 V199 I201 V226 S227 Q231 H232 T235 F237I144-F229 HydrophobicContact CB-CE2 4.19Å; I144-F229 HydrophobicContact CB-CZ 4.42Å; I144-F229 HydrophobicContact CD1-CE2 4.41Å; I144-F229 HydrophobicContact CG1-CE2 4.1Å; I144-F229 HydrophobicContact CG1-CZ 4.01Å; I144-F229 HydrophobicContact CG2-CE2 4.37Å; I144-F229 HydrophobicContact CG2-CZ 4.34Å; V193-F229 HydrophobicContact CB-CE1 4.16Å; V193-F229 HydrophobicContact CB-CZ 4.05Å; V193-F229 HydrophobicContact CG1-CE1 3.69Å; V193-F229 HydrophobicContact CG1-CZ 3.51Å; M194-F229 HydrophobicContact CG-CD1 4.35Å; M194-F229 HydrophobicContact CG-CE1 4.09Å; M194-F229 HydrophobicContact SD-CD1 3.42Å; M194-F229 WeakPolarHBondContact SD-CD1 3.34Å; M194-F229 HydrophobicContact SD-CE1 3.77Å; M194-F229 HydrophobicContact SD-CG 4.41Å; V199-F229 HydrophobicContact CB-CD1 4.48Å; V199-F229 HydrophobicContact CG1-CD1 4.13Å; V199-F229 HydrophobicContact CG1-CE1 3.98Å; V199-F229 HydrophobicContact CG1-CE2 4.39Å; V199-F229 HydrophobicContact CG1-CG 4.45Å; V199-F229 HydrophobicContact CG1-CZ 4.12Å; V199-F229 HydrophobicContact CG2-CD1 4.3Å; V199-F229 HydrophobicContact CG2-CE1 4.12Å; I201-F229 HydrophobicContact CD1-CD2 4.24Å; I201-F229 HydrophobicContact CD1-CE2 3.83Å; I201-F229 HydrophobicContact CD1-CZ 4.49Å; I201-F229 HydrophobicContact CG1-CD2 4.23Å; I201-F229 HydrophobicContact CG1-CE2 4.33Å; V226-F229 HydrophobicContact CB-CD2 4.38Å; V226-F229 HydrophobicContact CG1-CD2 3.91Å; V226-F229 HydrophobicContact CG1-CE2 4.35Å; V226-F229 HydrophobicContact CG2-CE2 4.41Å; V226-F229 WeakPolarHBondContact O-CD2 3.47Å; V226-F229 PolarHBondContact O-N 3.49Å; V226-F229 VanDerWaalsContact O-N 3.09Å; S227-F229 PolarHBondContact O-N 3.04Å; F229-Q231 PolarHBondContact O-N 2.91Å; F229-H232 HydrophobicContact CB-CB 4.32Å; F229-H232 HydrophobicContact CD1-CB 4.16Å; F229-H232 PolarHBondContact O-N 3.43Å; F229-T235 HydrophobicContact CB-CG2 3.91Å; F229-T235 HydrophobicContact CG-CG2 4.38Å; F229-F237 HydrophobicContact CB-CZ 4.36Å
230Q98.8Very high98.7Very high80 Ų8040.9 Ų40.937%0.37420%0.2SC..G310 helixtrans-60.2-26.3164.6-66-177.325.500112A215 E218 I220 S227 A228A215-Q230 PolarHBondContact O-NE2 2.81Å; E218-Q230 PolarHBondContact O-NE2 2.94Å; I220-Q230 HydrophobicContact CD1-CB 4.44Å; I220-Q230 HydrophobicContact CG1-CB 3.97Å; S227-Q230 WeakPolarHBondContact O-CB 3.5Å; S227-Q230 VanDerWaalsContact O-CG 3.27Å; S227-Q230 WeakPolarHBondContact O-CG 3.3Å; S227-Q230 PolarHBondContact O-N 2.77Å; S227-Q230 VanDerWaalsContact O-N 3.09Å; A228-Q230 PolarHBondContact O-N 3.01Å; A228-Q230 VanDerWaalsContact O-N 3.08Å
231Q98.8Very high98.7Very high136 Ų13640 Ų4064%0.63619%0.194SC*.G310 helixtrans-96.6-3177.1-56-171.4-71.400113.5M194 I220 A228 F229M194-Q231 HydrophobicContact CE-CB 4.29Å; I220-Q231 VanDerWaalsContact CD1-CD 3.44Å; I220-Q231 HydrophobicContact CD1-CG 3.33Å; I220-Q231 HydrophobicContact CG1-CG 4.16Å; A228-Q231 PolarHBondContact O-N 2.68Å; F229-Q231 PolarHBondContact O-N 2.91Å
232H98.9Very high98.7Very high12 Ų1241.2 Ų41.26%0.05620%0.201CC..  trans-80.7132.8178.3-173.9-97.6000110.5M194 A196 F229 R234 T235M194-H232 HydrophobicContact CE-CB 3.93Å; M194-H232 PolarHBondContact O-CD2 3.39Å; M194-H232 PolarHBondContact O-NE2 2.98Å; M194-H232 HydrophobicContact SD-CB 3.81Å; A196-H232 PolarHBondContact O-NE2 2.9Å; F229-H232 HydrophobicContact CB-CB 4.32Å; F229-H232 HydrophobicContact CD1-CB 4.16Å; F229-H232 PolarHBondContact O-N 3.43Å; H232-R234 PolarHBondContact CE1-O 3.17Å; H232-R234 PolarHBondContact ND1-N 2.91Å; H232-R234 VanDerWaalsContact ND1-N 3.19Å; H232-R234 PolarHBondContact ND1-O 2.94Å; H232-R234 VanDerWaalsContact ND1-O 3.11Å; H232-R234 PolarHBondContact O-N 2.87Å; H232-T235 WeakPolarHBondContact CB-OG1 3.25Å; H232-T235 PolarHBondContact ND1-OG1 2.9Å
233P98.6Very high98.8Very high128 Ų12836.9 Ų36.983%0.83118%0.181SC*.THydrogen-bonded Turntrans-65.9-24.2-173.625.6-35.8000113.3
234R98.8Very high98.8Very high130 Ų13033.4 Ų33.449%0.49116%0.164SC..THydrogen-bonded Turntrans-143.776.7-173.8-165.7176.4173.1174-11.6112.6E198 V199 H232E198-R234 WeakPolarHBondContact CA-O 3.19Å; E198-R234 HydrophobicContact CB-CG 4.28Å; E198-R234 HydrophobicContact CG-CG 3.95Å; E198-R234 IonicContact OE1-CZ 3.64Å; E198-R234 IonicContact OE1-NE 3.05Å; E198-R234 PolarHBondContact OE1-NE 3.34Å; E198-R234 IonicContact OE1-NH2 2.67Å; E198-R234 PolarHBondContact OE1-NH2 2.97Å; E198-R234 IonicContact OE2-CZ 3.22Å; E198-R234 IonicContact OE2-NE 3.85Å; E198-R234 PolarHBondContact OE2-NE 3.37Å; E198-R234 IonicContact OE2-NH2 3.8Å; E198-R234 PolarHBondContact OE2-NH2 2.86Å; V199-R234 PolarHBondContact N-O 2.97Å; H232-R234 PolarHBondContact CE1-O 3.17Å; H232-R234 PolarHBondContact ND1-N 2.91Å; H232-R234 VanDerWaalsContact ND1-N 3.19Å; H232-R234 PolarHBondContact ND1-O 2.94Å; H232-R234 VanDerWaalsContact ND1-O 3.11Å; H232-R234 PolarHBondContact O-N 2.87Å
235T98.9Very high98.8Very high5 Ų536.5 Ų36.53%0.03118%0.184CC..EExtended strand (participates in β ladder)trans-112.7135.1173.3-58.10000112.1M1 R2 V199 F229 H232 F237M1-T235 CarbonylContact C-O 3.22Å; M1-T235 VanDerWaalsContact CA-O 3.23Å; M1-T235 WeakPolarHBondContact CA-O 3.46Å; R2-T235 PolarHBondContact N-O 3.44Å; V199-T235 HydrophobicContact CB-CG2 4.31Å; V199-T235 HydrophobicContact CG1-CG2 4.3Å; V199-T235 CarbonylContact O-C 3.57Å; V199-T235 VanDerWaalsContact O-CA 3.3Å; V199-T235 WeakPolarHBondContact O-CA 3.35Å; F229-T235 HydrophobicContact CB-CG2 3.91Å; F229-T235 HydrophobicContact CG-CG2 4.38Å; H232-T235 WeakPolarHBondContact CB-OG1 3.25Å; H232-T235 PolarHBondContact ND1-OG1 2.9Å; T235-F237 HydrophobicContact CG2-CD2 4.05Å; T235-F237 HydrophobicContact CG2-CE2 3.55Å; T235-F237 HydrophobicContact CG2-CZ 3.86Å
236I98.9Very high98.8Very high1 Ų141.4 Ų41.41%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-118.2128.4170.8-173.4159.7000110.7R2 V4 W15 Y19 V199 M200 I201 V238 L265R2-I236 HydrophobicContact CB-CB 4.29Å; R2-I236 HydrophobicContact CB-CD1 4.15Å; R2-I236 HydrophobicContact CB-CG1 3.92Å; R2-I236 WeakPolarHBondContact O-CA 3.35Å; V4-I236 HydrophobicContact CG2-CD1 3.74Å; V4-I236 HydrophobicContact CG2-CG1 3.98Å; W15-I236 HydrophobicContact CH2-CD1 3.26Å; W15-I236 HydrophobicContact CH2-CG1 4.43Å; W15-I236 HydrophobicContact CZ2-CD1 4.24Å; W15-I236 HydrophobicContact CZ3-CD1 3.68Å; W15-I236 HydrophobicContact CZ3-CG1 4.47Å; Y19-I236 HydrophobicContact CE1-CG2 4.3Å; V199-I236 PolarHBondContact O-N 2.67Å; M200-I236 CarbonylContact C-O 3.55Å; M200-I236 VanDerWaalsContact CA-O 3.28Å; M200-I236 WeakPolarHBondContact CA-O 3.39Å; M200-I236 HydrophobicContact CB-CG2 3.64Å; M200-I236 HydrophobicContact CG-CG2 3.8Å; M200-I236 HydrophobicContact SD-CG2 4.41Å; I201-I236 PolarHBondContact N-O 2.94Å; I236-V238 HydrophobicContact CG1-CG2 4.23Å; I236-L265 HydrophobicContact CD1-CD1 4.05Å
237F98.9Very high98.8Very high3 Ų342.1 Ų42.11%0.01321%0.21CC..EExtended strand (participates in β ladder)trans-100.8127.4170.7-66.7-88.5000108M1 R2 L3 V4 I201 I203 L212 I216 V226 F229 T235M1-F237 HydrophobicContact CB-CD2 4.09Å; M1-F237 HydrophobicContact CB-CE2 4.04Å; M1-F237 HydrophobicContact CG-CD2 4.49Å; M1-F237 HydrophobicContact SD-CD2 3.87Å; M1-F237 HydrophobicContact SD-CE2 3.88Å; R2-F237 PolarHBondContact O-N 2.74Å; L3-F237 CarbonylContact C-O 3.52Å; L3-F237 WeakPolarHBondContact CA-O 3.21Å; L3-F237 HydrophobicContact CD1-CB 3.55Å; V4-F237 PolarHBondContact N-O 2.98Å; I201-F237 HydrophobicContact CB-CD1 3.7Å; I201-F237 HydrophobicContact CB-CE1 3.86Å; I201-F237 HydrophobicContact CG1-CD1 4.17Å; I201-F237 HydrophobicContact CG1-CE1 3.85Å; I201-F237 HydrophobicContact CG1-CZ 4.5Å; I201-F237 HydrophobicContact CG2-CD1 4.16Å; I201-F237 HydrophobicContact CG2-CE1 4.22Å; I201-F237 WeakPolarHBondContact O-CA 3.38Å; I203-F237 HydrophobicContact CD1-CD1 3.82Å; I203-F237 HydrophobicContact CD1-CE1 4.44Å; L212-F237 HydrophobicContact CD1-CD1 4.36Å; I216-F237 HydrophobicContact CG2-CD1 4.5Å; I216-F237 HydrophobicContact CG2-CD2 4.33Å; I216-F237 HydrophobicContact CG2-CE1 4.16Å; I216-F237 HydrophobicContact CG2-CE2 3.97Å; I216-F237 HydrophobicContact CG2-CZ 3.88Å; V226-F237 HydrophobicContact CG1-CE1 3.67Å; V226-F237 HydrophobicContact CG1-CZ 4.14Å; F229-F237 HydrophobicContact CB-CZ 4.36Å; T235-F237 HydrophobicContact CG2-CD2 4.05Å; T235-F237 HydrophobicContact CG2-CE2 3.55Å; T235-F237 HydrophobicContact CG2-CZ 3.86Å
238V98.9Very high98.8Very high0 Ų048.1 Ų48.10%024%0.236CC..EExtended strand (participates in β ladder)trans-116.2120.5176.3-175.20000107V4 L6 A12 W15 M200 I201 L202 I203 I236V4-V238 HydrophobicContact CB-CG2 4.44Å; L6-V238 HydrophobicContact CD2-CG1 3.81Å; A12-V238 HydrophobicContact CB-CG1 4.33Å; W15-V238 HydrophobicContact CB-CG1 4.42Å; W15-V238 HydrophobicContact CD2-CG1 4.42Å; W15-V238 HydrophobicContact CE3-CB 4.36Å; W15-V238 HydrophobicContact CE3-CG1 3.89Å; W15-V238 HydrophobicContact CE3-CG2 3.47Å; W15-V238 VanDerWaalsContact CE3-CG2 3.47Å; W15-V238 HydrophobicContact CZ3-CG2 3.5Å; M200-V238 HydrophobicContact CG-CG2 4.08Å; M200-V238 HydrophobicContact SD-CG2 3.92Å; I201-V238 PolarHBondContact O-N 3.49Å; L202-V238 CarbonylContact C-O 3.57Å; L202-V238 WeakPolarHBondContact CA-O 3.15Å; L202-V238 HydrophobicContact CD1-CB 3.99Å; L202-V238 HydrophobicContact CD1-CG1 3.91Å; I203-V238 PolarHBondContact N-O 2.62Å; I236-V238 HydrophobicContact CG1-CG2 4.23Å
239C98.8Very high98.8Very high0 Ų052.8 Ų52.80%026%0.264CS..EExtended strand (participates in β ladder)trans-140.8159.9-176.370.40000113.9V4 I5 L6 I203 L212 A243V4-C239 PolarHBondContact O-N 2.81Å; I5-C239 WeakPolarHBondContact CA-O 3.39Å; L6-C239 WeakPolarHBondContact CD2-O 3.44Å; L6-C239 PolarHBondContact N-O 3.22Å; I203-C239 HydrophobicContact CB-CB 4.16Å; I203-C239 WeakPolarHBondContact O-CA 3.4Å; I203-C239 WeakPolarHBondContact O-CB 3.26Å; L212-C239 HydrophobicContact CD2-CB 4.37Å; C239-A243 HydrophobicContact CB-CB 3.93Å
240D98.8Very high98.8Very high9 Ų961.2 Ų61.25%0.04830%0.301CS..EExtended strand (participates in β ladder)trans-86170.516662.38.2000111.5L6 I203 T204 G205 D242 A243L6-D240 CarbonylContact O-C 3.52Å; L6-D240 WeakPolarHBondContact O-CA 3.48Å; I203-D240 PolarHBondContact O-N 3.26Å; T204-D240 WeakPolarHBondContact CA-OD1 3.48Å; T204-D240 WeakPolarHBondContact CA-OD2 3.25Å; T204-D240 WeakPolarHBondContact CB-OD2 3.29Å; G205-D240 VanDerWaalsContact N-CG 3.33Å; G205-D240 PolarHBondContact N-OD1 3.29Å; G205-D240 PolarHBondContact N-OD2 3.47Å; D240-D242 VanDerWaalsContact C-N 3.29Å; D240-D242 PolarHBondContact O-N 2.72Å; D240-A243 PolarHBondContact O-N 3.36Å; D240-A243 VanDerWaalsContact OD1-CB 3.29Å; D240-A243 WeakPolarHBondContact OD1-CB 3.34Å; D240-A243 PolarHBondContact OD1-N 3.01Å
241E98.8Very high98.8Very high51 Ų5158.8 Ų58.824%0.23829%0.292CS..SBendtrans-56.8-43.1177.3-71.7-69.715500112L6 A243 T244 K256L6-E241 PolarHBondContact O-N 3.05Å; E241-A243 VanDerWaalsContact C-N 3.27Å; E241-A243 PolarHBondContact O-N 3.37Å; E241-T244 WeakPolarHBondContact O-CA 3.42Å; E241-T244 WeakPolarHBondContact O-CB 3.44Å; E241-T244 PolarHBondContact O-N 2.87Å; E241-T244 PolarHBondContact O-OG1 3.18Å; E241-K256 WeakPolarHBondContact OE1-CE 3.29Å; E241-K256 IonicContact OE1-NZ 3.11Å; E241-K256 PolarHBondContact OE1-NZ 3.28Å; E241-K256 IonicContact OE2-NZ 3.95Å; E241-K256 PolarHBondContact OE2-NZ 3.11Å
242D98.8Very high98.8Very high87 Ų8753.3 Ų53.347%0.46527%0.267SS..G310 helixtrans-60.9-35-177.2-76.7-3.7000112.3A206 D240 T244 L245A206-D242 WeakPolarHBondContact CA-O 3.36Å; A206-D242 HydrophobicContact CB-CB 4.33Å; D240-D242 VanDerWaalsContact C-N 3.29Å; D240-D242 PolarHBondContact O-N 2.72Å; D242-T244 PolarHBondContact O-N 3.38Å; D242-L245 WeakPolarHBondContact O-CD1 3.45Å; D242-L245 WeakPolarHBondContact O-CG 3.21Å; D242-L245 PolarHBondContact O-N 3.01Å
243A98.8Very high98.8Very high0 Ų059.9 Ų59.90%030%0.296CS..G310 helixtrans-67.2-13.617400000113.4I203 A209 L212 C239 D240 E241I203-A243 HydrophobicContact CB-CB 4.49Å; I203-A243 HydrophobicContact CG2-CB 3.85Å; A209-A243 VanDerWaalsContact CA-O 3.25Å; A209-A243 WeakPolarHBondContact CA-O 3.29Å; A209-A243 WeakPolarHBondContact CB-O 3.38Å; L212-A243 HydrophobicContact CD2-CB 4.35Å; L212-A243 WeakPolarHBondContact CD2-O 3.49Å; C239-A243 HydrophobicContact CB-CB 3.93Å; D240-A243 PolarHBondContact O-N 3.36Å; D240-A243 VanDerWaalsContact OD1-CB 3.29Å; D240-A243 WeakPolarHBondContact OD1-CB 3.34Å; D240-A243 PolarHBondContact OD1-N 3.01Å; E241-A243 VanDerWaalsContact C-N 3.27Å; E241-A243 PolarHBondContact O-N 3.37Å
244T98.8Very high98.8Very high11 Ų1160.8 Ų60.87%0.06728%0.284CS..G310 helixtrans-95.31.2-177.972.40000114.6I5 E241 D242 E246 L247I5-T244 HydrophobicContact CD1-CG2 4.18Å; I5-T244 HydrophobicContact CG1-CG2 4.24Å; I5-T244 HydrophobicContact CG2-CG2 3.93Å; E241-T244 WeakPolarHBondContact O-CA 3.42Å; E241-T244 WeakPolarHBondContact O-CB 3.44Å; E241-T244 PolarHBondContact O-N 2.87Å; E241-T244 PolarHBondContact O-OG1 3.18Å; D242-T244 PolarHBondContact O-N 3.38Å; T244-E246 PolarHBondContact O-N 3.49Å; T244-E246 VanDerWaalsContact O-N 3.11Å; T244-L247 HydrophobicContact CG2-CD1 4.09Å; T244-L247 WeakPolarHBondContact O-CB 3.41Å; T244-L247 PolarHBondContact O-N 2.99Å
245L98.8Very high98.8Very high110 Ų11055.6 Ų55.658%0.57627%0.265SS*.THydrogen-bonded Turntrans-57.2-30.6-171.5-71.1171.3000114.9A206 A209 D242A206-L245 HydrophobicContact CB-CD1 3.61Å; A209-L245 HydrophobicContact CB-CB 4.02Å; D242-L245 WeakPolarHBondContact O-CD1 3.45Å; D242-L245 WeakPolarHBondContact O-CG 3.21Å; D242-L245 PolarHBondContact O-N 3.01Å
246E98.8Very high98.8Very high104 Ų10459.5 Ų59.549%0.48628%0.281SS..THydrogen-bonded Turntrans-94.7-1.2179.8-64.7-6515800113.2A209 F210 Y213 T244A209-E246 HydrophobicContact CB-CB 4.24Å; A209-E246 HydrophobicContact CB-CG 3.85Å; F210-E246 HydrophobicContact CB-CG 4.28Å; F210-E246 HydrophobicContact CD2-CG 4.47Å; Y213-E246 WeakPolarHBondContact CD2-O 3.43Å; Y213-E246 HydrophobicContact CG-CB 4.35Å; T244-E246 PolarHBondContact O-N 3.49Å; T244-E246 VanDerWaalsContact O-N 3.11Å
247L98.9Very high98.7Very high15 Ų1561.6 Ų61.68%0.07930%0.303CS..SBendtrans-80.9149.6178.8-60.1-176.3000111.5L3 L212 I216 E217 T244 V249 V252L3-L247 HydrophobicContact CD2-CD1 4.1Å; L212-L247 HydrophobicContact CD2-CD1 4.11Å; L212-L247 HydrophobicContact CG-CD1 4.37Å; L212-L247 HydrophobicContact CG-CD2 4.3Å; I216-L247 HydrophobicContact CD1-CD1 4.02Å; I216-L247 HydrophobicContact CD1-CD2 3.93Å; I216-L247 HydrophobicContact CG1-CD2 3.99Å; E217-L247 HydrophobicContact CG-CD2 3.93Å; T244-L247 HydrophobicContact CG2-CD1 4.09Å; T244-L247 WeakPolarHBondContact O-CB 3.41Å; T244-L247 PolarHBondContact O-N 2.99Å; L247-V249 PolarHBondContact O-N 2.98Å; L247-V252 HydrophobicContact CB-CG2 3.83Å; L247-V252 HydrophobicContact CD1-CG2 4.3Å
248K98.9Very high98.7Very high126 Ų12663.9 Ų63.955%0.54832%0.315SS..  trans-62.9137.7171.7-71.2162.7-166.3163.20109.6E217 K250 T251 V252E217-K248 WeakPolarHBondContact OE1-CB 3.35Å; E217-K248 PolarHBondContact OE1-N 3.29Å; E217-K248 VanDerWaalsContact OE2-CD 3.29Å; E217-K248 WeakPolarHBondContact OE2-CD 3.35Å; E217-K248 WeakPolarHBondContact OE2-CE 3.43Å; E217-K248 VanDerWaalsContact OE2-CG 3.27Å; E217-K248 WeakPolarHBondContact OE2-CG 3.43Å; E217-K248 PolarHBondContact OE2-N 2.9Å; E217-K248 IonicContact OE2-NZ 3.49Å; K248-K250 PolarHBondContact O-N 3.15Å; K248-T251 WeakPolarHBondContact O-CA 3.46Å; K248-T251 VanDerWaalsContact O-CB 3.29Å; K248-T251 WeakPolarHBondContact O-CB 3.35Å; K248-T251 PolarHBondContact O-N 3.07Å; K248-V252 PolarHBondContact O-N 2.98Å; K248-V252 VanDerWaalsContact O-N 3.15Å
249V98.6Very high98.7Very high100 Ų10065.1 Ų65.161%0.60632%0.321SS*.Hα-helixtrans-49.8-36.9173.9175.30000112.1L247 K253L247-V249 PolarHBondContact O-N 2.98Å; V249-K253 HydrophobicContact CG1-CD 3.87Å; V249-K253 HydrophobicContact CG1-CG 4.15Å; V249-K253 VanDerWaalsContact O-CB 3.3Å; V249-K253 WeakPolarHBondContact O-CB 3.39Å; V249-K253 VanDerWaalsContact O-CG 3.27Å; V249-K253 WeakPolarHBondContact O-CG 3.09Å; V249-K253 PolarHBondContact O-N 3.07Å
250K98.8Very high98.6Very high177 Ų17771.1 Ų71.177%0.7735%0.349SS*.Hα-helixtrans-62.3-43.6177.2-172.3-177.1-66.1-179.70112.1K248 Y254K248-K250 PolarHBondContact O-N 3.15Å; K250-Y254 WeakPolarHBondContact O-CB 3.11Å; K250-Y254 PolarHBondContact O-N 3.35Å
251T98.8Very high98.5Very high30 Ų3073.5 Ų73.518%0.18436%0.364CS..Hα-helixtrans-61.4-52.1177.5-52.50000110.2E217 K248 K253 Y254 F255E217-T251 WeakPolarHBondContact OE1-CB 3.41Å; E217-T251 PolarHBondContact OE1-OG1 3.36Å; K248-T251 WeakPolarHBondContact O-CA 3.46Å; K248-T251 VanDerWaalsContact O-CB 3.29Å; K248-T251 WeakPolarHBondContact O-CB 3.35Å; K248-T251 PolarHBondContact O-N 3.07Å; T251-K253 PolarHBondContact O-N 3.3Å; T251-Y254 PolarHBondContact O-N 3.39Å; T251-F255 HydrophobicContact CG2-CD2 4.1Å; T251-F255 HydrophobicContact CG2-CE2 4.14Å; T251-F255 WeakPolarHBondContact O-CD2 3.49Å; T251-F255 PolarHBondContact O-N 2.67Å
252V98.8Very high98.4Very high20 Ų2071.4 Ų71.412%0.12135%0.354CS..Hα-helixtrans-59.7-48.2179176.30000111.2I5 L247 K248 Y254 F255 K256I5-V252 HydrophobicContact CD1-CB 4.43Å; I5-V252 HydrophobicContact CD1-CG1 3.97Å; L247-V252 HydrophobicContact CB-CG2 3.83Å; L247-V252 HydrophobicContact CD1-CG2 4.3Å; K248-V252 PolarHBondContact O-N 2.98Å; K248-V252 VanDerWaalsContact O-N 3.15Å; V252-Y254 VanDerWaalsContact C-N 3.33Å; V252-Y254 PolarHBondContact O-N 2.98Å; V252-F255 PolarHBondContact O-N 3.08Å; V252-K256 HydrophobicContact CG1-CD 3.98Å; V252-K256 HydrophobicContact CG1-CG 4.2Å; V252-K256 WeakPolarHBondContact O-CB 3.2Å; V252-K256 WeakPolarHBondContact O-CG 3.31Å; V252-K256 PolarHBondContact O-N 3.42Å
253K98.6Very high98.4Very high150 Ų15069.1 Ų69.165%0.65234%0.342SS*.Hα-helixtrans-59.1-42.3179.2-79-176.8176.7-177.60112.6V249 T251 G257V249-K253 HydrophobicContact CG1-CD 3.87Å; V249-K253 HydrophobicContact CG1-CG 4.15Å; V249-K253 VanDerWaalsContact O-CB 3.3Å; V249-K253 WeakPolarHBondContact O-CB 3.39Å; V249-K253 VanDerWaalsContact O-CG 3.27Å; V249-K253 WeakPolarHBondContact O-CG 3.09Å; V249-K253 PolarHBondContact O-N 3.07Å; T251-K253 PolarHBondContact O-N 3.3Å; K253-G257 PolarHBondContact O-N 2.85Å
254Y98.8Very high98.4Very high147 Ų14776 Ų7658%0.57637%0.372SS*.Hα-helixtrans-60.2-51.6178.4176.7-99.7000111.2K250 T251 V252 G257 L258K250-Y254 WeakPolarHBondContact O-CB 3.11Å; K250-Y254 PolarHBondContact O-N 3.35Å; T251-Y254 PolarHBondContact O-N 3.39Å; V252-Y254 VanDerWaalsContact C-N 3.33Å; V252-Y254 PolarHBondContact O-N 2.98Å; Y254-G257 PolarHBondContact O-N 3.03Å; Y254-L258 HydrophobicContact CD1-CD1 4.16Å; Y254-L258 HydrophobicContact CE1-CD1 3.53Å; Y254-L258 PolarHBondContact O-N 2.84Å
255F98.7Very high98.3Very high21 Ų2177.1 Ų77.19%0.09238%0.377CS..Hα-helixtrans-73.6-33.6-176.8-74.7-70000113.8M1 L3 I5 T251 V252 G257 L258 M259M1-F255 HydrophobicContact CE-CE2 3.64Å; M1-F255 HydrophobicContact CE-CZ 3.64Å; M1-F255 HydrophobicContact CG-CZ 4.28Å; L3-F255 HydrophobicContact CB-CB 4.06Å; L3-F255 HydrophobicContact CB-CD1 3.72Å; L3-F255 HydrophobicContact CB-CD2 3.8Å; L3-F255 HydrophobicContact CB-CE1 4.05Å; L3-F255 HydrophobicContact CB-CE2 4.13Å; L3-F255 HydrophobicContact CB-CG 3.59Å; L3-F255 HydrophobicContact CB-CZ 4.24Å; L3-F255 HydrophobicContact CD2-CB 4.26Å; L3-F255 HydrophobicContact CD2-CD2 3.76Å; L3-F255 HydrophobicContact CD2-CE2 4.37Å; L3-F255 HydrophobicContact CD2-CG 4.13Å; L3-F255 HydrophobicContact CG-CB 4.38Å; L3-F255 HydrophobicContact CG-CD2 4.36Å; L3-F255 HydrophobicContact CG-CG 4.3Å; I5-F255 HydrophobicContact CD1-CB 4.26Å; T251-F255 HydrophobicContact CG2-CD2 4.1Å; T251-F255 HydrophobicContact CG2-CE2 4.14Å; T251-F255 WeakPolarHBondContact O-CD2 3.49Å; T251-F255 PolarHBondContact O-N 2.67Å; V252-F255 PolarHBondContact O-N 3.08Å; F255-G257 VanDerWaalsContact C-N 3.27Å; F255-G257 PolarHBondContact O-N 3.01Å; F255-L258 HydrophobicContact CD1-CD1 4.19Å; F255-L258 HydrophobicContact CE1-CD1 4.5Å; F255-L258 PolarHBondContact O-N 3.13Å; F255-M259 PolarHBondContact O-N 2.68Å
256K98.3Very high98.3Very high87 Ų8772 Ų7238%0.37835%0.351SS..Hα-helixtrans-58.5-40.6167.6-76.3-168.7177.4-177.50111.5I5 E241 V252 L258 M259I5-K256 HydrophobicContact CB-CG 4.47Å; I5-K256 HydrophobicContact CD1-CG 4.18Å; E241-K256 WeakPolarHBondContact OE1-CE 3.29Å; E241-K256 IonicContact OE1-NZ 3.11Å; E241-K256 PolarHBondContact OE1-NZ 3.28Å; E241-K256 IonicContact OE2-NZ 3.95Å; E241-K256 PolarHBondContact OE2-NZ 3.11Å; V252-K256 HydrophobicContact CG1-CD 3.98Å; V252-K256 HydrophobicContact CG1-CG 4.2Å; V252-K256 WeakPolarHBondContact O-CB 3.2Å; V252-K256 WeakPolarHBondContact O-CG 3.31Å; V252-K256 PolarHBondContact O-N 3.42Å; K256-L258 PolarHBondContact O-N 2.89Å; K256-M259 WeakPolarHBondContact O-CB 3.47Å; K256-M259 WeakPolarHBondContact O-CG 3.47Å; K256-M259 PolarHBondContact O-N 3.34Å; K256-M259 VanDerWaalsContact O-N 3.11Å
257G98.3Very high98.2Very high45 Ų4572.5 Ų72.546%0.46435%0.353SS..Hα-helixtrans-59.6-25173.900000114K253 Y254 F255 H260K253-G257 PolarHBondContact O-N 2.85Å; Y254-G257 PolarHBondContact O-N 3.03Å; F255-G257 VanDerWaalsContact C-N 3.27Å; F255-G257 PolarHBondContact O-N 3.01Å; G257-H260 PolarHBondContact O-CE1 2.81Å; G257-H260 PolarHBondContact O-ND1 3.27Å
258L98.1Very high98.1Very high51 Ų5175.9 Ų75.927%0.26738%0.376SS..THydrogen-bonded Turntrans-92.8-1.6178.4-63.1178.9000114.2Y254 F255 K256 H260 V261 N262Y254-L258 HydrophobicContact CD1-CD1 4.16Å; Y254-L258 HydrophobicContact CE1-CD1 3.53Å; Y254-L258 PolarHBondContact O-N 2.84Å; F255-L258 HydrophobicContact CD1-CD1 4.19Å; F255-L258 HydrophobicContact CE1-CD1 4.5Å; F255-L258 PolarHBondContact O-N 3.13Å; K256-L258 PolarHBondContact O-N 2.89Å; L258-H260 VanDerWaalsContact C-N 3.27Å; L258-H260 PolarHBondContact O-N 3.44Å; L258-V261 WeakPolarHBondContact O-CA 3.35Å; L258-V261 WeakPolarHBondContact O-CB 3.27Å; L258-V261 PolarHBondContact O-N 2.98Å; L258-N262 PolarHBondContact O-N 3.41Å
259M98.1Very high98Very high27 Ų2772.9 Ų72.913%0.13337%0.365CS..Hα-helixtrans-59.2-36.4-176.5-76.8-61.7-65.800113V4 I5 L6 F255 K256 V261 N262 N263V4-M259 HydrophobicContact CB-SD 4.34Å; V4-M259 HydrophobicContact CG1-CE 3.62Å; V4-M259 HydrophobicContact CG1-SD 3.72Å; I5-M259 WeakPolarHBondContact O-CE 3.44Å; L6-M259 HydrophobicContact CD1-CE 3.76Å; F255-M259 PolarHBondContact O-N 2.68Å; K256-M259 WeakPolarHBondContact O-CB 3.47Å; K256-M259 WeakPolarHBondContact O-CG 3.47Å; K256-M259 PolarHBondContact O-N 3.34Å; K256-M259 VanDerWaalsContact O-N 3.11Å; M259-V261 PolarHBondContact O-N 2.89Å; M259-N262 PolarHBondContact O-N 3.41Å; M259-N263 VanDerWaalsContact O-CB 3.32Å; M259-N263 WeakPolarHBondContact O-CB 3.1Å; M259-N263 VanDerWaalsContact O-CG 3.24Å; M259-N263 PolarHBondContact O-N 3.48Å
260H97.1Very high97.8Very high126 Ų12672.2 Ų72.258%0.58335%0.353SS*.Hα-helixtrans-62.3-27.3174.473-80.1000113.6G257 L258G257-H260 PolarHBondContact O-CE1 2.81Å; G257-H260 PolarHBondContact O-ND1 3.27Å; L258-H260 VanDerWaalsContact C-N 3.27Å; L258-H260 PolarHBondContact O-N 3.44Å
261V97.8Very high97.7Very high59 Ų5964.6 Ų64.636%0.35832%0.322SS..Hα-helixtrans-81.8-45.2173.8-177.10000110.2L258 M259 N263 K264L258-V261 WeakPolarHBondContact O-CA 3.35Å; L258-V261 WeakPolarHBondContact O-CB 3.27Å; L258-V261 PolarHBondContact O-N 2.98Å; M259-V261 PolarHBondContact O-N 2.89Å; V261-N263 VanDerWaalsContact C-N 3.34Å; V261-N263 PolarHBondContact O-N 3.46Å; V261-K264 WeakPolarHBondContact O-CB 3.36Å; V261-K264 PolarHBondContact O-N 2.93Å
262N96.8Very high97.4Very high7 Ų766.5 Ų66.54%0.03733%0.329CS..Hα-helixtrans-67.4-33.6-178.4-71.7-27.3000112.3R2 V4 L258 M259 K264 L265R2-N262 PolarHBondContact NH1-OD1 3.15Å; V4-N262 HydrophobicContact CG2-CB 4.25Å; L258-N262 PolarHBondContact O-N 3.41Å; M259-N262 PolarHBondContact O-N 3.41Å; N262-K264 PolarHBondContact O-N 3.42Å; N262-L265 WeakPolarHBondContact O-CB 3.36Å; N262-L265 VanDerWaalsContact O-CG 3.28Å; N262-L265 WeakPolarHBondContact O-CG 3.46Å; N262-L265 PolarHBondContact O-N 3.34Å
263N97.9Very high96.9Very high38 Ų3871 Ų7120%0.20335%0.347CS..G310 helixtrans-64.6-23.5176.7-74.3-5.7000112.7W15 M259 V261 L265 V266 E267W15-N263 PolarHBondContact NE1-OD1 3.37Å; M259-N263 VanDerWaalsContact O-CB 3.32Å; M259-N263 WeakPolarHBondContact O-CB 3.1Å; M259-N263 VanDerWaalsContact O-CG 3.24Å; M259-N263 PolarHBondContact O-N 3.48Å; V261-N263 VanDerWaalsContact C-N 3.34Å; V261-N263 PolarHBondContact O-N 3.46Å; N263-L265 PolarHBondContact O-N 2.87Å; N263-V266 CarbonylContact O-C 3.54Å; N263-V266 VanDerWaalsContact O-CG2 3.28Å; N263-V266 WeakPolarHBondContact O-CG2 3.49Å; N263-V266 PolarHBondContact O-N 2.85Å; N263-E267 WeakPolarHBondContact O-CB 3.44Å; N263-E267 PolarHBondContact O-N 2.89Å
264K97.9Very high95.6Very high146 Ų14671.4 Ų71.464%0.63535%0.352SS*.G310 helixtrans-62.1-14.4171.2-60.3179.9179.2-179.10113.8V261 N262 V266 E267V261-K264 WeakPolarHBondContact O-CB 3.36Å; V261-K264 PolarHBondContact O-N 2.93Å; N262-K264 PolarHBondContact O-N 3.42Å; K264-V266 VanDerWaalsContact C-N 3.33Å; K264-E267 WeakPolarHBondContact CA-O 3.3Å
265L97.9Very high93.7Very high34 Ų3467.5 Ų67.518%0.17836%0.356CS..G310 helixtrans-73.5-28.5172.5-62.9178000112.3R2 W15 Y19 N22 I236 N262 N263R2-L265 VanDerWaalsContact NH1-CD1 3.34Å; W15-L265 HydrophobicContact CH2-CB 4.45Å; W15-L265 HydrophobicContact CH2-CD1 4.01Å; W15-L265 HydrophobicContact CZ2-CB 4.27Å; W15-L265 HydrophobicContact CZ2-CD1 4.2Å; Y19-L265 HydrophobicContact CD2-CB 3.84Å; Y19-L265 HydrophobicContact CD2-CD1 4.34Å; Y19-L265 HydrophobicContact CE2-CB 3.78Å; Y19-L265 HydrophobicContact CE2-CD1 3.81Å; Y19-L265 HydrophobicContact CE2-CD2 4.24Å; Y19-L265 HydrophobicContact CE2-CG 4.17Å; N22-L265 PolarHBondContact ND2-O 3.05Å; I236-L265 HydrophobicContact CD1-CD1 4.05Å; N262-L265 WeakPolarHBondContact O-CB 3.36Å; N262-L265 VanDerWaalsContact O-CG 3.28Å; N262-L265 WeakPolarHBondContact O-CG 3.46Å; N262-L265 PolarHBondContact O-N 3.34Å; N263-L265 PolarHBondContact O-N 2.87Å
266V98.2Very high91.1Very high2 Ų276.4 Ų76.41%0.01241%0.405CS..THydrogen-bonded Turntrans-116.3-8-175.3-63.40000113.2W15 K18 Y19 N22 N263 K264 P268 L269W15-V266 HydrophobicContact CD2-CG1 4.04Å; W15-V266 HydrophobicContact CE3-CG1 4.48Å; W15-V266 HydrophobicContact CG-CG1 4.45Å; W15-V266 HydrophobicContact CG-CG2 4.48Å; W15-V266 HydrophobicContact CH2-CG1 4.28Å; W15-V266 HydrophobicContact CZ2-CG1 3.9Å; W15-V266 HydrophobicContact CZ2-CG2 4.45Å; K18-V266 HydrophobicContact CB-CB 3.73Å; K18-V266 HydrophobicContact CB-CG1 3.73Å; K18-V266 HydrophobicContact CD-CB 4.23Å; Y19-V266 HydrophobicContact CD2-CG1 4.33Å; N22-V266 WeakPolarHBondContact ND2-CA 3.13Å; N263-V266 CarbonylContact O-C 3.54Å; N263-V266 VanDerWaalsContact O-CG2 3.28Å; N263-V266 WeakPolarHBondContact O-CG2 3.49Å; N263-V266 PolarHBondContact O-N 2.85Å; K264-V266 VanDerWaalsContact C-N 3.33Å; V266-P268 CarbonylContact C-O 3.49Å; V266-P268 CarbonylContact O-C 3.53Å; V266-L269 PolarHBondContact O-N 3.09Å
267E96.6Very high90.7Very high114 Ų11475.9 Ų75.953%0.53341%0.406SS..SBendtrans-128117.3178.8-68.5169.8-163.400110.3N263 K264N263-E267 WeakPolarHBondContact O-CB 3.44Å; N263-E267 PolarHBondContact O-N 2.89Å; K264-E267 WeakPolarHBondContact CA-O 3.3Å
268P96.1Very high90.3Very high86 Ų8677.5 Ų77.556%0.55840%0.403SS*.SBendcis-67.4154.2-1.430.2-35.1000112.4N22 V266 Y270N22-P268 PolarHBondContact ND2-O 2.67Å; N22-P268 VanDerWaalsContact ND2-O 3.07Å; V266-P268 CarbonylContact C-O 3.49Å; V266-P268 CarbonylContact O-C 3.53Å; P268-Y270 HydrophobicContact CG-CE2 3.97Å; P268-Y270 WeakPolarHBondContact O-CD2 3.32Å; P268-Y270 WeakPolarHBondContact O-CE2 3.5Å
269L96.9Very high89.9Confident63 Ų6379 Ų7933%0.3341%0.41SS..PPolyproline II helixtrans-80.6119.8165.917961.8000107.4K18 C21 N22 Y55 V266K18-L269 HydrophobicContact CB-CD1 3.97Å; K18-L269 HydrophobicContact CG-CD1 3.91Å; K18-L269 HydrophobicContact CG-CD2 4.26Å; C21-L269 HydrophobicContact CB-CD1 4.15Å; N22-L269 WeakPolarHBondContact OD1-CD1 3.41Å; Y55-L269 HydrophobicContact CD1-CD2 4.48Å; Y55-L269 HydrophobicContact CE1-CD2 3.94Å; V266-L269 PolarHBondContact O-N 3.09Å
270Y95.9Very high89.4Confident86 Ų8682.1 Ų82.134%0.33743%0.427SS..PPolyproline II helixtrans-83.1148.2-179.1-65.8-98000110.1N22 K26 P268N22-Y270 HydrophobicContact CB-CD2 4.43Å; N22-Y270 WeakPolarHBondContact OD1-CD2 3.43Å; N22-Y270 PolarHBondContact OD1-N 2.93Å; K26-Y270 HydrophobicContact CD-CE2 4.4Å; K26-Y270 VanDerWaalsContact NZ-CE2 3.28Å; P268-Y270 HydrophobicContact CG-CE2 3.97Å; P268-Y270 WeakPolarHBondContact O-CD2 3.32Å; P268-Y270 WeakPolarHBondContact O-CE2 3.5Å
271S95.4Very high88.9Confident17 Ų1779.3 Ų79.312%0.11942%0.417CS..  trans-121.3141.3174.1175.90000109.9D60 K273 E274D60-S271 WeakPolarHBondContact CA-OG 3.18Å; D60-S271 WeakPolarHBondContact CB-OG 3.35Å; D60-S271 PolarHBondContact OD1-OG 2.9Å; S271-K273 PolarHBondContact O-N 2.7Å; S271-K273 VanDerWaalsContact O-N 3.17Å; S271-K273 PolarHBondContact OG-N 3.44Å; S271-E274 PolarHBondContact O-N 3.26Å
272M92.4Very high88.3Confident71 Ų7180.7 Ų80.735%0.3542%0.421SS..G310 helixtrans-63.6-16.2173.170.1-174.8-6900113.1G59 D60 S62 E274G59-M272 WeakPolarHBondContact O-CG 3.33Å; D60-M272 WeakPolarHBondContact O-CG 3.37Å; D60-M272 PolarHBondContact O-N 3.2Å; S62-M272 VanDerWaalsContact CB-SD 3.53Å; S62-M272 PolarHBondContact N-SD 3.13Å; S62-M272 VanDerWaalsContact N-SD 3.39Å; M272-E274 VanDerWaalsContact C-N 3.34Å
273K88.3Confident87.7Confident113 Ų11385.9 Ų85.949%0.49145%0.448SS..G310 helixtrans-70.8-28.2176.6-62.3177.5-171.9146.60113.4R58 G59 D60 S271 G275R58-K273 WeakPolarHBondContact O-CE 3.49Å; R58-K273 PolarHBondContact O-NZ 2.97Å; G59-K273 VanDerWaalsContact O-CE 3.32Å; G59-K273 WeakPolarHBondContact O-CE 3.5Å; G59-K273 WeakPolarHBondContact O-CG 3.45Å; D60-K273 WeakPolarHBondContact OD1-CE 3.32Å; D60-K273 IonicContact OD1-NZ 2.94Å; D60-K273 PolarHBondContact OD1-NZ 3.17Å; S271-K273 PolarHBondContact O-N 2.7Å; S271-K273 VanDerWaalsContact O-N 3.17Å; S271-K273 PolarHBondContact OG-N 3.44Å; K273-G275 PolarHBondContact O-N 3.09Å
274E72.2Confident86.9Confident160 Ų16089.6 Ų89.675%0.74847%0.467SS*.G310 helixtrans-81-2.2-175.5-63-178.8160.600112.7S271 M272S271-E274 PolarHBondContact O-N 3.26Å; M272-E274 VanDerWaalsContact C-N 3.34Å
275G58.4Low86Confident65 Ų6584.9 Ų84.967%0.6745%0.453SS*.G310 helixtrans-118.47.4-177.200000115.8K273K273-G275 PolarHBondContact O-N 3.09Å
276N43.4Very low84.9Confident208 Ų20889.5 Ų89.5100%1.11248%0.478SS*.  trans-108.40173.5-84.8-11.4000111.4

Retrieved 276 of 276 residues in 170.2 ms (Link to these results)

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