A0A087XJG6_POEFO Loading...

6-phosphogluconolactonase

Hydrolysis of 6-phosphogluconolactone to 6-phosphogluconate.

AlphaFold DB , UniProt , Accession A0A087XJG6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 253 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.6Very low85.7Confident238 Ų23859.2 Ų59.2100%1.17233%0.325SS*.  0121.40-79.7-171.5-86.400106.9G3M1-G3 PolarHBondContact O-N 2.98Å
2A53.2Low86.4Confident32 Ų3258.7 Ų58.726%0.26433%0.329SS..  trans-46.3130.3169.600000110.8R4 P223 G226A2-R4 PolarHBondContact O-N 3.19Å; A2-P223 WeakPolarHBondContact CB-O 3.2Å; A2-G226 WeakPolarHBondContact CA-O 3.17Å; A2-G226 WeakPolarHBondContact CB-O 3.39Å
3G75.6Confident87Confident52 Ų5258.5 Ų58.554%0.53634%0.339SS..  trans-70.4112.317400000109.6M1M1-G3 PolarHBondContact O-N 2.98Å
4R93Very high87.6Confident124 Ų12460.8 Ų60.847%0.46835%0.345SS..EExtended strand (participates in β ladder)trans-75.6122.2168178.7178.768.7174.16.8108.9A2 L208 L228A2-R4 PolarHBondContact O-N 3.19Å; R4-L208 PolarHBondContact NH1-O 3.49Å; R4-L208 PolarHBondContact NH2-O 3.5Å; R4-L228 CarbonylContact C-O 3.52Å; R4-L228 WeakPolarHBondContact CA-O 3.31Å; R4-L228 HydrophobicContact CB-CB 4.49Å; R4-L228 HydrophobicContact CB-CD2 4.34Å; R4-L228 HydrophobicContact CG-CD2 3.98Å; R4-L228 HydrophobicContact CG-CG 4.22Å
5R95.9Very high88.2Confident71 Ų7156.7 Ų56.727%0.26832%0.322SS..EExtended strand (participates in β ladder)trans-111.9128.3176.2-65.2177.164-163-4.6109.9V7 L228 F229 W230 E245R5-V7 HydrophobicContact CB-CG2 4.47Å; R5-L228 PolarHBondContact N-O 3.27Å; R5-F229 HydrophobicContact CB-CD1 4.09Å; R5-F229 HydrophobicContact CB-CE1 4.26Å; R5-F229 VanDerWaalsContact NH1-CE1 3.28Å; R5-F229 CarbonylContact O-C 3.36Å; R5-F229 WeakPolarHBondContact O-CA 3.35Å; R5-W230 PolarHBondContact O-N 3.18Å; R5-E245 WeakPolarHBondContact CB-OE1 3.24Å; R5-E245 WeakPolarHBondContact CG-OE1 3.44Å; R5-E245 IonicContact CZ-OE1 3.96Å; R5-E245 IonicContact CZ-OE2 2.84Å; R5-E245 IonicContact NE-OE1 3.66Å; R5-E245 PolarHBondContact NE-OE1 3.4Å; R5-E245 IonicContact NE-OE2 2.68Å; R5-E245 PolarHBondContact NE-OE2 2.96Å; R5-E245 VanDerWaalsContact NE-OE2 3.15Å; R5-E245 IonicContact NH2-OE1 2.74Å; R5-E245 IonicContact NH2-OE2 3.77Å; R5-E245 PolarHBondContact NH2-OE2 2.87Å
6V97.6Very high88.7Confident12 Ų1253.2 Ų53.27%0.07330%0.302CS..EExtended strand (participates in β ladder)trans-109.8110.5176.7-176.20000107.8L208 W230 I232 L240 I242 V244 E245V6-L208 HydrophobicContact CG1-CD1 4Å; V6-L208 HydrophobicContact CG2-CD1 4.13Å; V6-L208 HydrophobicContact CG2-CD2 4.18Å; V6-W230 HydrophobicContact CB-CB 4.49Å; V6-W230 HydrophobicContact CG1-CB 4.31Å; V6-W230 HydrophobicContact CG2-CB 4.29Å; V6-I232 HydrophobicContact CG1-CD1 3.83Å; V6-L240 HydrophobicContact CG1-CD1 4.23Å; V6-I242 HydrophobicContact CG2-CD1 4.08Å; V6-V244 HydrophobicContact CB-CG1 4.26Å; V6-V244 HydrophobicContact CG1-CB 4.45Å; V6-V244 HydrophobicContact CG1-CG1 3.77Å; V6-E245 PolarHBondContact O-N 2.69Å
7V97.8Very high89Confident0 Ų052.9 Ų52.90%030%0.303CS..EExtended strand (participates in β ladder)trans-114.4116.6-171.7-168.70000108.8R5 F9 F229 W230 L231 I232 E245 P247 L253R5-V7 HydrophobicContact CB-CG2 4.47Å; V7-F9 HydrophobicContact CB-CE2 4.12Å; V7-F9 HydrophobicContact CB-CZ 4.47Å; V7-F9 HydrophobicContact CG1-CD2 4.49Å; V7-F9 HydrophobicContact CG1-CE1 4.41Å; V7-F9 HydrophobicContact CG1-CE2 3.63Å; V7-F9 HydrophobicContact CG1-CZ 3.58Å; V7-F229 HydrophobicContact CG2-CD1 4.43Å; V7-W230 PolarHBondContact N-O 3.24Å; V7-L231 HydrophobicContact CB-CD2 3.94Å; V7-L231 HydrophobicContact CG2-CD2 4.1Å; V7-I232 PolarHBondContact O-N 2.85Å; V7-E245 CarbonylContact C-O 3.55Å; V7-E245 WeakPolarHBondContact CA-O 3.34Å; V7-E245 HydrophobicContact CG2-CB 4.33Å; V7-P247 VanDerWaalsContact CG1-CD 3.49Å; V7-P247 HydrophobicContact CG1-CG 3.61Å; V7-L253 HydrophobicContact CG1-CD2 4.22Å; V7-L253 HydrophobicContact CG2-CD2 4.14Å
8V97.9Very high89.4Confident2 Ų250.7 Ų50.71%0.01229%0.291CS..EExtended strand (participates in β ladder)trans-107.4127.6-175.1-176.50000110.6I232 D234 A237 V244 E245 R246V8-I232 CarbonylContact C-O 3.47Å; V8-I232 WeakPolarHBondContact CA-O 3.28Å; V8-I232 HydrophobicContact CB-CG1 4.44Å; V8-I232 HydrophobicContact CG2-CD1 3.83Å; V8-I232 HydrophobicContact CG2-CG1 3.76Å; V8-D234 VanDerWaalsContact CG1-OD1 3.26Å; V8-D234 WeakPolarHBondContact CG1-OD1 3.46Å; V8-A237 HydrophobicContact CB-CB 4.47Å; V8-A237 HydrophobicContact CG1-CB 3.71Å; V8-A237 HydrophobicContact CG2-CB 3.81Å; V8-V244 HydrophobicContact CB-CG2 4.32Å; V8-V244 HydrophobicContact CG2-CB 3.65Å; V8-V244 HydrophobicContact CG2-CG1 3.85Å; V8-V244 HydrophobicContact CG2-CG2 3.75Å; V8-E245 PolarHBondContact N-O 2.99Å; V8-R246 HydrophobicContact CB-CG 4.36Å
9F97.1Very high89.8Confident7 Ų748.1 Ų48.13%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-109.8153.5177.9-60.4-89.8000111V7 S11 E14 L15 V18 L231 I232 D233 D234 P247V7-F9 HydrophobicContact CB-CE2 4.12Å; V7-F9 HydrophobicContact CB-CZ 4.47Å; V7-F9 HydrophobicContact CG1-CD2 4.49Å; V7-F9 HydrophobicContact CG1-CE1 4.41Å; V7-F9 HydrophobicContact CG1-CE2 3.63Å; V7-F9 HydrophobicContact CG1-CZ 3.58Å; F9-S11 VanDerWaalsContact C-N 3.31Å; F9-S11 PolarHBondContact O-N 3.32Å; F9-E14 HydrophobicContact CB-CB 4.39Å; F9-E14 HydrophobicContact CD1-CB 4.5Å; F9-L15 HydrophobicContact CB-CB 4Å; F9-L15 HydrophobicContact CD2-CB 3.8Å; F9-L15 HydrophobicContact CD2-CD1 3.79Å; F9-L15 HydrophobicContact CD2-CG 3.65Å; F9-L15 HydrophobicContact CE2-CB 4.43Å; F9-L15 HydrophobicContact CE2-CD1 4.32Å; F9-L15 HydrophobicContact CE2-CG 3.96Å; F9-L15 HydrophobicContact CG-CB 3.84Å; F9-L15 HydrophobicContact CG-CG 4.23Å; F9-V18 HydrophobicContact CD1-CG2 4.43Å; F9-V18 HydrophobicContact CE1-CB 3.86Å; F9-V18 HydrophobicContact CE1-CG1 4.02Å; F9-V18 HydrophobicContact CE1-CG2 3.57Å; F9-V18 HydrophobicContact CZ-CB 3.94Å; F9-V18 HydrophobicContact CZ-CG1 3.75Å; F9-V18 HydrophobicContact CZ-CG2 4.17Å; F9-L231 HydrophobicContact CE2-CB 4.24Å; F9-L231 HydrophobicContact CE2-CD2 4.26Å; F9-I232 WeakPolarHBondContact CD2-O 3.39Å; F9-I232 PolarHBondContact N-O 3.45Å; F9-D233 CarbonylContact O-C 3.54Å; F9-D233 VanDerWaalsContact O-CA 3.23Å; F9-D233 WeakPolarHBondContact O-CA 3.23Å; F9-D234 PolarHBondContact O-N 2.83Å; F9-P247 HydrophobicContact CD1-CG 3.97Å; F9-P247 HydrophobicContact CE1-CG 3.4Å; F9-P247 HydrophobicContact CZ-CG 3.84Å
10P96.5Very high90.1Very high73 Ų7345.7 Ų45.747%0.47426%0.262SS..SBendtrans-57.2-41.5177.1-26.535.5000113.6E14 D234P10-E14 HydrophobicContact CG-CG 4.36Å; P10-D234 WeakPolarHBondContact CA-OD2 3.32Å
11S95.7Very high90.4Very high40 Ų4047 Ų4728%0.2827%0.266SS..SBendtrans-151.2176.6175.586.60000111.9F9 A13 E14 L15F9-S11 VanDerWaalsContact C-N 3.31Å; F9-S11 PolarHBondContact O-N 3.32Å; S11-A13 PolarHBondContact O-N 2.98Å; S11-A13 WeakPolarHBondContact OG-CB 3.34Å; S11-A13 PolarHBondContact OG-N 3.26Å; S11-E14 WeakPolarHBondContact CA-OE2 3.24Å; S11-E14 VanDerWaalsContact CB-OE2 3.22Å; S11-E14 WeakPolarHBondContact CB-OE2 3.2Å; S11-E14 PolarHBondContact N-OE2 3.44Å; S11-E14 PolarHBondContact O-N 2.87Å; S11-E14 PolarHBondContact OG-OE2 2.81Å; S11-L15 PolarHBondContact O-N 2.67Å; S11-L15 VanDerWaalsContact O-N 3.15Å
12S94.4Very high92.9Very high53 Ų5335.8 Ų35.837%0.37121%0.21SC..Hα-helixtrans-59.5-25.117160.10000113.3G16S12-G16 PolarHBondContact O-N 3.03Å
13A94.3Very high95.1Very high56 Ų5634.2 Ų34.246%0.46320%0.198SC..Hα-helixtrans-71-35.6178.800000112.6S11 P17S11-A13 PolarHBondContact O-N 2.98Å; S11-A13 WeakPolarHBondContact OG-CB 3.34Å; S11-A13 PolarHBondContact OG-N 3.26Å; A13-P17 WeakPolarHBondContact O-CD 3.29Å
14E95.1Very high96.1Very high91 Ų9132.7 Ų32.743%0.42518%0.178SC..Hα-helixtrans-81.7-30.8174.4-66.178.8-172.200112F9 P10 S11F9-E14 HydrophobicContact CB-CB 4.39Å; F9-E14 HydrophobicContact CD1-CB 4.5Å; P10-E14 HydrophobicContact CG-CG 4.36Å; S11-E14 WeakPolarHBondContact CA-OE2 3.24Å; S11-E14 VanDerWaalsContact CB-OE2 3.22Å; S11-E14 WeakPolarHBondContact CB-OE2 3.2Å; S11-E14 PolarHBondContact N-OE2 3.44Å; S11-E14 PolarHBondContact O-N 2.87Å; S11-E14 PolarHBondContact OG-OE2 2.81Å
15L95.9Very high96.2Very high0 Ų028.2 Ų28.20%017%0.166CC..Hα-helixtrans-66.4-45.7176.9-172.1159.5000111.8F9 S11 V18 L19 M49 V194 T196 L231F9-L15 HydrophobicContact CB-CB 4Å; F9-L15 HydrophobicContact CD2-CB 3.8Å; F9-L15 HydrophobicContact CD2-CD1 3.79Å; F9-L15 HydrophobicContact CD2-CG 3.65Å; F9-L15 HydrophobicContact CE2-CB 4.43Å; F9-L15 HydrophobicContact CE2-CD1 4.32Å; F9-L15 HydrophobicContact CE2-CG 3.96Å; F9-L15 HydrophobicContact CG-CB 3.84Å; F9-L15 HydrophobicContact CG-CG 4.23Å; S11-L15 PolarHBondContact O-N 2.67Å; S11-L15 VanDerWaalsContact O-N 3.15Å; L15-V18 PolarHBondContact O-N 3.3Å; L15-L19 HydrophobicContact CD2-CB 4.24Å; L15-L19 PolarHBondContact O-N 3.13Å; L15-M49 HydrophobicContact CD2-CE 4.44Å; L15-M49 HydrophobicContact CD2-SD 3.72Å; L15-V194 HydrophobicContact CD2-CG1 3.85Å; L15-T196 HydrophobicContact CD1-CG2 3.81Å; L15-L231 VanDerWaalsContact CD1-C 3.5Å; L15-L231 HydrophobicContact CD1-CB 4.03Å; L15-L231 HydrophobicContact CD2-CB 4.34Å; L15-L231 HydrophobicContact CG-CB 4.22Å
16G96Very high96.3Very high0 Ų026.4 Ų26.40%016%0.159CC..Hα-helixtrans-51.5-53.2-172.700000114.6S12 V18 L19 A20 E53S12-G16 PolarHBondContact O-N 3.03Å; G16-V18 VanDerWaalsContact C-N 3.28Å; G16-V18 PolarHBondContact O-N 2.93Å; G16-L19 WeakPolarHBondContact O-CB 3.23Å; G16-L19 PolarHBondContact O-N 3.03Å; G16-L19 VanDerWaalsContact O-N 3.16Å; G16-A20 PolarHBondContact O-N 3.22Å; G16-A20 VanDerWaalsContact O-N 3.11Å; G16-E53 VanDerWaalsContact C-CG 3.48Å
17P95Very high96.3Very high48 Ų4826 Ų2631%0.31216%0.157SC..Hα-helixtrans-58.6-38.6177.1-27.134.5000112.9A13 L19 A20 H21 E53A13-P17 WeakPolarHBondContact O-CD 3.29Å; P17-L19 VanDerWaalsContact C-N 3.35Å; P17-A20 PolarHBondContact O-N 3.44Å; P17-H21 PolarHBondContact O-N 3.03Å; P17-H21 PolarHBondContact O-ND1 3.41Å; P17-E53 WeakPolarHBondContact CG-OE2 3.15Å
18V96Very high96.2Very high14 Ų1432.8 Ų32.89%0.08519%0.188CC..Hα-helixtrans-68-36.8179178.70000111.1F9 L15 G16 H21 L22 L253F9-V18 HydrophobicContact CD1-CG2 4.43Å; F9-V18 HydrophobicContact CE1-CB 3.86Å; F9-V18 HydrophobicContact CE1-CG1 4.02Å; F9-V18 HydrophobicContact CE1-CG2 3.57Å; F9-V18 HydrophobicContact CZ-CB 3.94Å; F9-V18 HydrophobicContact CZ-CG1 3.75Å; F9-V18 HydrophobicContact CZ-CG2 4.17Å; L15-V18 PolarHBondContact O-N 3.3Å; G16-V18 VanDerWaalsContact C-N 3.28Å; G16-V18 PolarHBondContact O-N 2.93Å; V18-H21 PolarHBondContact O-N 3.35Å; V18-L22 WeakPolarHBondContact O-CB 3.45Å; V18-L22 PolarHBondContact O-N 3.43Å; V18-L253 HydrophobicContact CG1-CD1 3.53Å; V18-L253 HydrophobicContact CG1-CG 3.7Å
19L96.9Very high96.2Very high0 Ų038.3 Ų38.30%021%0.212CC..Hα-helixtrans-59.9-48.4172.5174.264.6000111.3L15 G16 P17 H21 L22 V23 L46 M49 L50 L138 V194 L231L15-L19 HydrophobicContact CD2-CB 4.24Å; L15-L19 PolarHBondContact O-N 3.13Å; G16-L19 WeakPolarHBondContact O-CB 3.23Å; G16-L19 PolarHBondContact O-N 3.03Å; G16-L19 VanDerWaalsContact O-N 3.16Å; P17-L19 VanDerWaalsContact C-N 3.35Å; L19-H21 VanDerWaalsContact C-N 3.33Å; L19-H21 PolarHBondContact O-N 2.76Å; L19-L22 WeakPolarHBondContact O-CB 3.49Å; L19-L22 PolarHBondContact O-N 3.29Å; L19-L22 VanDerWaalsContact O-N 3.17Å; L19-V23 WeakPolarHBondContact O-CG2 3.07Å; L19-V23 PolarHBondContact O-N 3.48Å; L19-L46 HydrophobicContact CD2-CD1 3.73Å; L19-M49 HydrophobicContact CD2-CG 4.34Å; L19-M49 HydrophobicContact CD2-SD 4.08Å; L19-L50 HydrophobicContact CD2-CD1 4.17Å; L19-L50 HydrophobicContact CG-CD1 4.14Å; L19-L138 HydrophobicContact CD1-CD1 4.2Å; L19-L138 HydrophobicContact CD1-CD2 3.77Å; L19-V194 HydrophobicContact CD1-CG2 3.79Å; L19-V194 HydrophobicContact CD2-CG1 4.41Å; L19-V194 HydrophobicContact CD2-CG2 3.96Å; L19-V194 HydrophobicContact CG-CG2 4.48Å; L19-L231 HydrophobicContact CD1-CD1 4.18Å
20A96.3Very high96.2Very high0 Ų038.2 Ų38.20%021%0.213CC..Hα-helixtrans-63.1-38.1178.800000112.5G16 P17 V23 T24 E53 L54 L57G16-A20 PolarHBondContact O-N 3.22Å; G16-A20 VanDerWaalsContact O-N 3.11Å; P17-A20 PolarHBondContact O-N 3.44Å; A20-V23 PolarHBondContact O-N 2.9Å; A20-T24 PolarHBondContact O-N 2.89Å; A20-T24 PolarHBondContact O-OG1 2.97Å; A20-E53 HydrophobicContact CB-CB 3.75Å; A20-L54 HydrophobicContact CB-CD2 4.13Å; A20-L57 HydrophobicContact CB-CD1 3.83Å; A20-L57 HydrophobicContact CB-CG 4.33Å
21H95.1Very high96.2Very high75 Ų7536.5 Ų36.535%0.34720%0.199SC..Hα-helixtrans-66.5-37.6173-76.189.6000112.7P17 V18 L19 T24 S25P17-H21 PolarHBondContact O-N 3.03Å; P17-H21 PolarHBondContact O-ND1 3.41Å; V18-H21 PolarHBondContact O-N 3.35Å; L19-H21 VanDerWaalsContact C-N 3.33Å; L19-H21 PolarHBondContact O-N 2.76Å; H21-T24 WeakPolarHBondContact CA-OG1 3.46Å; H21-T24 PolarHBondContact O-OG1 3.16Å; H21-S25 WeakPolarHBondContact O-CB 3.43Å; H21-S25 PolarHBondContact O-N 2.9Å
22L96.6Very high96.3Very high1 Ų138.9 Ų38.91%0.00522%0.221CC..Hα-helixtrans-61.3-48.2173.7175.764000110.2V18 L19 T24 S25 R26 A192 L231 L253V18-L22 WeakPolarHBondContact O-CB 3.45Å; V18-L22 PolarHBondContact O-N 3.43Å; L19-L22 WeakPolarHBondContact O-CB 3.49Å; L19-L22 PolarHBondContact O-N 3.29Å; L19-L22 VanDerWaalsContact O-N 3.17Å; L22-T24 PolarHBondContact O-N 2.94Å; L22-S25 PolarHBondContact O-N 3.37Å; L22-R26 HydrophobicContact CD1-CG 3.91Å; L22-R26 HydrophobicContact CG-CG 4.41Å; L22-R26 WeakPolarHBondContact O-CB 3.4Å; L22-R26 WeakPolarHBondContact O-CG 3.38Å; L22-R26 PolarHBondContact O-N 3.04Å; L22-A192 HydrophobicContact CD2-CB 4.03Å; L22-L231 HydrophobicContact CD2-CD1 4.09Å; L22-L253 HydrophobicContact CD1-CB 4.28Å
23V97.9Very high96.5Very high0 Ų041 Ų410%024%0.236CC..Hα-helixtrans-59.1-51.1179.1178.10000111.2L19 A20 R26 A27 F37 L39 L50 L54 W65 L136 L138L19-V23 WeakPolarHBondContact O-CG2 3.07Å; L19-V23 PolarHBondContact O-N 3.48Å; A20-V23 PolarHBondContact O-N 2.9Å; V23-R26 PolarHBondContact O-N 3.08Å; V23-A27 WeakPolarHBondContact O-CB 3.15Å; V23-A27 PolarHBondContact O-N 3.33Å; V23-F37 HydrophobicContact CG1-CE1 3.91Å; V23-F37 HydrophobicContact CG1-CZ 4.2Å; V23-L39 HydrophobicContact CG1-CD2 3.99Å; V23-L50 HydrophobicContact CG2-CD1 3.93Å; V23-L54 HydrophobicContact CB-CD2 4.41Å; V23-L54 HydrophobicContact CG1-CD2 4.39Å; V23-W65 HydrophobicContact CG1-CH2 3.46Å; V23-W65 VanDerWaalsContact CG1-CH2 3.46Å; V23-W65 HydrophobicContact CG1-CZ2 4.23Å; V23-W65 HydrophobicContact CG1-CZ3 3.91Å; V23-L136 HydrophobicContact CB-CD2 4.41Å; V23-L136 HydrophobicContact CG2-CD2 3.89Å; V23-L138 HydrophobicContact CG2-CD1 3.84Å
24T96.6Very high96.5Very high20 Ų2041.8 Ų41.812%0.12323%0.23CC..Hα-helixtrans-65.8-41.2-178.348.10000112.6A20 H21 L22 R26 A27 E28 L54 L57 P60A20-T24 PolarHBondContact O-N 2.89Å; A20-T24 PolarHBondContact O-OG1 2.97Å; H21-T24 WeakPolarHBondContact CA-OG1 3.46Å; H21-T24 PolarHBondContact O-OG1 3.16Å; L22-T24 PolarHBondContact O-N 2.94Å; T24-R26 VanDerWaalsContact C-N 3.35Å; T24-R26 PolarHBondContact O-N 2.76Å; T24-A27 WeakPolarHBondContact O-CB 3.42Å; T24-A27 PolarHBondContact O-N 3.19Å; T24-E28 WeakPolarHBondContact O-CG 3.45Å; T24-E28 PolarHBondContact O-N 2.87Å; T24-L54 HydrophobicContact CG2-CD2 4.22Å; T24-L57 HydrophobicContact CG2-CD1 3.69Å; T24-P60 HydrophobicContact CG2-CB 3.95Å; T24-P60 HydrophobicContact CG2-CG 4.48Å
25S95.8Very high96.6Very high30 Ų3039.5 Ų39.521%0.2123%0.23CC..Hα-helixtrans-60.2-41.6173.5173.90000112.4H21 L22 K29H21-S25 WeakPolarHBondContact O-CB 3.43Å; H21-S25 PolarHBondContact O-N 2.9Å; L22-S25 PolarHBondContact O-N 3.37Å; S25-K29 VanDerWaalsContact O-CG 3.29Å; S25-K29 WeakPolarHBondContact O-CG 3.38Å; S25-K29 PolarHBondContact O-N 3.1Å; S25-K29 VanDerWaalsContact O-N 3.16Å
26R97.1Very high96.6Very high33 Ų3343.3 Ų43.313%0.12525%0.245CC..Hα-helixtrans-69.1-37175.9-65.2-67.1172.7172.82.5111.4L22 V23 T24 A30 F37 L136 E227L22-R26 HydrophobicContact CD1-CG 3.91Å; L22-R26 HydrophobicContact CG-CG 4.41Å; L22-R26 WeakPolarHBondContact O-CB 3.4Å; L22-R26 WeakPolarHBondContact O-CG 3.38Å; L22-R26 PolarHBondContact O-N 3.04Å; V23-R26 PolarHBondContact O-N 3.08Å; T24-R26 VanDerWaalsContact C-N 3.35Å; T24-R26 PolarHBondContact O-N 2.76Å; R26-A30 VanDerWaalsContact O-CB 3.23Å; R26-A30 WeakPolarHBondContact O-CB 3.48Å; R26-A30 PolarHBondContact O-N 3.17Å; R26-F37 HydrophobicContact CB-CE2 3.9Å; R26-F37 HydrophobicContact CB-CZ 4.25Å; R26-L136 HydrophobicContact CB-CD2 4.43Å; R26-L136 HydrophobicContact CG-CD2 4.4Å; R26-E227 IonicContact CZ-OE2 2.69Å; R26-E227 IonicContact NH1-OE2 3.41Å; R26-E227 PolarHBondContact NH1-OE2 2.84Å; R26-E227 VanDerWaalsContact NH2-CD 3.29Å; R26-E227 IonicContact NH2-OE1 3.7Å; R26-E227 PolarHBondContact NH2-OE1 2.74Å; R26-E227 VanDerWaalsContact NH2-OE1 3.13Å; R26-E227 IonicContact NH2-OE2 3.88Å; R26-E227 PolarHBondContact NH2-OE2 2.82Å
27A97.9Very high96.7Very high4 Ų443.3 Ų43.33%0.03325%0.245CC..Hα-helixtrans-62.2-50.3174.900000112.3V23 T24 K29 A30 I31 F37 W65V23-A27 WeakPolarHBondContact O-CB 3.15Å; V23-A27 PolarHBondContact O-N 3.33Å; T24-A27 WeakPolarHBondContact O-CB 3.42Å; T24-A27 PolarHBondContact O-N 3.19Å; A27-K29 VanDerWaalsContact C-N 3.35Å; A27-K29 PolarHBondContact O-N 3.03Å; A27-A30 PolarHBondContact O-N 2.84Å; A27-I31 WeakPolarHBondContact O-CB 3.33Å; A27-I31 WeakPolarHBondContact O-CD1 3.45Å; A27-I31 VanDerWaalsContact O-CG1 3.24Å; A27-I31 WeakPolarHBondContact O-CG1 3.41Å; A27-I31 PolarHBondContact O-N 3.3Å; A27-F37 VanDerWaalsContact CA-CG 3.44Å; A27-F37 HydrophobicContact CB-CB 4.03Å; A27-F37 HydrophobicContact CB-CD1 3.38Å; A27-F37 HydrophobicContact CB-CD2 4.2Å; A27-F37 HydrophobicContact CB-CE1 3.74Å; A27-F37 HydrophobicContact CB-CG 3.62Å; A27-F37 HydrophobicContact CB-CZ 4.3Å; A27-W65 HydrophobicContact CB-CZ2 3.84Å
28E96.5Very high96.9Very high141 Ų14141.2 Ų41.266%0.65923%0.231SC*.Hα-helixtrans-56.6-48177.7-73.3173.4178.600111.4T24 A32T24-E28 WeakPolarHBondContact O-CG 3.45Å; T24-E28 PolarHBondContact O-N 2.87Å; E28-A32 VanDerWaalsContact O-CB 3.28Å; E28-A32 WeakPolarHBondContact O-CB 3.29Å; E28-A32 PolarHBondContact O-N 2.8Å
29K96.6Very high97.1Very high118 Ų11840.6 Ų40.651%0.51323%0.228SC..Hα-helixtrans-62.7-46178.6-71.8173-175.2174.50112.2S25 A27 A32 S33S25-K29 VanDerWaalsContact O-CG 3.29Å; S25-K29 WeakPolarHBondContact O-CG 3.38Å; S25-K29 PolarHBondContact O-N 3.1Å; S25-K29 VanDerWaalsContact O-N 3.16Å; A27-K29 VanDerWaalsContact C-N 3.35Å; A27-K29 PolarHBondContact O-N 3.03Å; K29-A32 PolarHBondContact O-N 3.41Å; K29-S33 WeakPolarHBondContact O-CB 3.48Å; K29-S33 PolarHBondContact O-N 2.83Å
30A97.7Very high97.1Very high5 Ų540.6 Ų40.64%0.04123%0.228CC..Hα-helixtrans-66-44.9-179.200000111.8R26 A27 A32 S33 H34 G35 R36 F37 D135R26-A30 VanDerWaalsContact O-CB 3.23Å; R26-A30 WeakPolarHBondContact O-CB 3.48Å; R26-A30 PolarHBondContact O-N 3.17Å; A27-A30 PolarHBondContact O-N 2.84Å; A30-A32 VanDerWaalsContact C-N 3.34Å; A30-A32 PolarHBondContact O-N 2.68Å; A30-S33 PolarHBondContact O-N 2.91Å; A30-H34 VanDerWaalsContact CA-CE1 3.49Å; A30-H34 WeakPolarHBondContact CA-CE1 3.42Å; A30-H34 PolarHBondContact O-CE1 3.14Å; A30-H34 PolarHBondContact O-N 3.11Å; A30-H34 PolarHBondContact O-ND1 3.13Å; A30-G35 PolarHBondContact O-N 3.43Å; A30-R36 CarbonylContact C-O 3.6Å; A30-R36 WeakPolarHBondContact CB-O 3.35Å; A30-F37 HydrophobicContact CB-CB 4.17Å; A30-F37 HydrophobicContact CB-CD2 3.83Å; A30-F37 HydrophobicContact CB-CG 4.46Å; A30-D135 HydrophobicContact CB-CB 4.16Å
31I97.8Very high97.3Very high38 Ų3840.7 Ų40.720%0.19523%0.228CC..Hα-helixtrans-63.2-41.6177.8-69.7164.6000111.1A27 S33 G35 F37 K64A27-I31 WeakPolarHBondContact O-CB 3.33Å; A27-I31 WeakPolarHBondContact O-CD1 3.45Å; A27-I31 VanDerWaalsContact O-CG1 3.24Å; A27-I31 WeakPolarHBondContact O-CG1 3.41Å; A27-I31 PolarHBondContact O-N 3.3Å; I31-S33 VanDerWaalsContact C-N 3.34Å; I31-G35 WeakPolarHBondContact O-CA 3.27Å; I31-G35 PolarHBondContact O-N 3.16Å; I31-F37 HydrophobicContact CD1-CB 4.29Å; I31-F37 HydrophobicContact CG1-CB 4.07Å; I31-K64 HydrophobicContact CD1-CB 3.93Å; I31-K64 HydrophobicContact CG1-CB 4.01Å; I31-K64 HydrophobicContact CG1-CD 4.38Å; I31-K64 HydrophobicContact CG2-CD 3.6Å
32A97.6Very high97.4Very high90 Ų9037.3 Ų37.374%0.74421%0.213SC*.Hα-helixtrans-66.6-35.8176.200000112.6E28 K29 A30E28-A32 VanDerWaalsContact O-CB 3.28Å; E28-A32 WeakPolarHBondContact O-CB 3.29Å; E28-A32 PolarHBondContact O-N 2.8Å; K29-A32 PolarHBondContact O-N 3.41Å; A30-A32 VanDerWaalsContact C-N 3.34Å; A30-A32 PolarHBondContact O-N 2.68Å
33S96.9Very high97.4Very high97 Ų9737.9 Ų37.968%0.67822%0.219SC*.Hα-helixtrans-77.9-48.1-177.2171.80000113.2K29 A30 I31K29-S33 WeakPolarHBondContact O-CB 3.48Å; K29-S33 PolarHBondContact O-N 2.83Å; A30-S33 PolarHBondContact O-N 2.91Å; I31-S33 VanDerWaalsContact C-N 3.34Å
34H95.1Very high97.1Very high73 Ų7340 Ų4034%0.33824%0.241SC..Hα-helixtrans-141.319-170.152.5-89.5000113.7A30 R36 D135A30-H34 VanDerWaalsContact CA-CE1 3.49Å; A30-H34 WeakPolarHBondContact CA-CE1 3.42Å; A30-H34 PolarHBondContact O-CE1 3.14Å; A30-H34 PolarHBondContact O-N 3.11Å; A30-H34 PolarHBondContact O-ND1 3.13Å; H34-R36 VanDerWaalsContact C-N 3.3Å; H34-R36 PolarHBondContact CD2-O 3.05Å; H34-R36 PolarHBondContact NE2-O 3.4Å; H34-R36 PolarHBondContact O-N 3.31Å; H34-D135 IonicContact CE1-OD1 3.03Å; H34-D135 PolarHBondContact CE1-OD1 2.81Å; H34-D135 IonicContact CE1-OD2 3.88Å; H34-D135 IonicContact NE2-OD1 3.03Å; H34-D135 PolarHBondContact NE2-OD1 3.05Å; H34-D135 IonicContact NE2-OD2 3.13Å; H34-D135 PolarHBondContact NE2-OD2 3.26Å; H34-D135 VanDerWaalsContact NE2-OD2 3.13Å
35G96.6Very high96.9Very high42 Ų4242.7 Ų42.743%0.43326%0.26SS..SBendtrans80.8-3.4164.300000116.3A30 I31A30-G35 PolarHBondContact O-N 3.43Å; I31-G35 WeakPolarHBondContact O-CA 3.27Å; I31-G35 PolarHBondContact O-N 3.16Å
36R97.4Very high96.9Very high81 Ų8141.5 Ų41.531%0.30625%0.252SS..  trans-150.7163.1176.766.1178.8-175.7179.12.4111.2A30 H34 K64 V125A30-R36 CarbonylContact C-O 3.6Å; A30-R36 WeakPolarHBondContact CB-O 3.35Å; H34-R36 VanDerWaalsContact C-N 3.3Å; H34-R36 PolarHBondContact CD2-O 3.05Å; H34-R36 PolarHBondContact NE2-O 3.4Å; H34-R36 PolarHBondContact O-N 3.31Å; R36-K64 WeakPolarHBondContact CA-O 3.38Å; R36-V125 VanDerWaalsContact CZ-O 3.23Å; R36-V125 PolarHBondContact NH1-O 3.45Å; R36-V125 PolarHBondContact NH2-O 2.87Å
37F98.4Very high96.9Very high0 Ų039.9 Ų39.90%025%0.246CC..EExtended strand (participates in β ladder)trans-120.4124.3172.3172.6-128000110.6V23 R26 A27 A30 I31 L39 K64 W65 V66 D135 L136V23-F37 HydrophobicContact CG1-CE1 3.91Å; V23-F37 HydrophobicContact CG1-CZ 4.2Å; R26-F37 HydrophobicContact CB-CE2 3.9Å; R26-F37 HydrophobicContact CB-CZ 4.25Å; A27-F37 VanDerWaalsContact CA-CG 3.44Å; A27-F37 HydrophobicContact CB-CB 4.03Å; A27-F37 HydrophobicContact CB-CD1 3.38Å; A27-F37 HydrophobicContact CB-CD2 4.2Å; A27-F37 HydrophobicContact CB-CE1 3.74Å; A27-F37 HydrophobicContact CB-CG 3.62Å; A27-F37 HydrophobicContact CB-CZ 4.3Å; A30-F37 HydrophobicContact CB-CB 4.17Å; A30-F37 HydrophobicContact CB-CD2 3.83Å; A30-F37 HydrophobicContact CB-CG 4.46Å; I31-F37 HydrophobicContact CD1-CB 4.29Å; I31-F37 HydrophobicContact CG1-CB 4.07Å; F37-L39 HydrophobicContact CD1-CB 4.38Å; F37-L39 HydrophobicContact CE1-CB 3.78Å; F37-L39 HydrophobicContact CE1-CD2 4.08Å; F37-L39 HydrophobicContact CE1-CG 4.37Å; F37-L39 HydrophobicContact CZ-CB 3.96Å; F37-L39 HydrophobicContact CZ-CD1 4.22Å; F37-L39 HydrophobicContact CZ-CG 4.48Å; F37-K64 PolarHBondContact N-O 3.17Å; F37-W65 AromaticContact CD1-CD1 3.95Å; F37-W65 AromaticContact CD1-CD2 3.72Å; F37-W65 HydrophobicContact CD1-CD2 3.72Å; F37-W65 AromaticContact CD1-CE2 3.73Å; F37-W65 HydrophobicContact CD1-CE3 4.24Å; F37-W65 AromaticContact CD1-CG 3.89Å; F37-W65 HydrophobicContact CD1-CG 3.89Å; F37-W65 HydrophobicContact CD1-CZ2 4.28Å; F37-W65 AromaticContact CD1-NE1 3.89Å; F37-W65 HydrophobicContact CE1-CD2 4.18Å; F37-W65 HydrophobicContact CE1-CE3 4.29Å; F37-W65 HydrophobicContact CE1-CH2 4.4Å; F37-W65 HydrophobicContact CE1-CZ2 4.28Å; F37-W65 HydrophobicContact CE1-CZ3 4.4Å; F37-W65 CarbonylContact O-C 3.33Å; F37-W65 WeakPolarHBondContact O-CA 3.47Å; F37-V66 PolarHBondContact O-N 3.19Å; F37-D135 HydrophobicContact CD2-CB 3.64Å; F37-D135 HydrophobicContact CE2-CB 3.72Å; F37-L136 HydrophobicContact CE2-CB 3.96Å; F37-L136 HydrophobicContact CZ-CB 3.98Å; F37-L136 HydrophobicContact CZ-CD2 4.22Å
38T98.7Very high96.9Very high3 Ų342.7 Ų42.72%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-104.8118.817951.90000111.3V66 F126 F134 D135 L136T38-V66 CarbonylContact C-O 3.33Å; T38-V66 VanDerWaalsContact CA-O 3.31Å; T38-V66 WeakPolarHBondContact CA-O 3.34Å; T38-V66 HydrophobicContact CG2-CB 4.13Å; T38-F126 HydrophobicContact CG2-CE1 3.77Å; T38-F126 HydrophobicContact CG2-CZ 3.6Å; T38-F134 WeakPolarHBondContact OG1-CA 3.44Å; T38-D135 PolarHBondContact N-OD2 3.37Å; T38-D135 WeakPolarHBondContact O-CB 3.41Å; T38-D135 PolarHBondContact O-N 2.61Å; T38-D135 VanDerWaalsContact O-N 3.11Å; T38-D135 PolarHBondContact OG1-N 2.91Å; T38-D135 PolarHBondContact OG1-OD2 2.99Å; T38-L136 PolarHBondContact O-N 3.42Å; T38-L136 VanDerWaalsContact O-N 3.14Å
39L98.8Very high97Very high2 Ų237.3 Ų37.31%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-123.8122.8-175.4174.663.1000111V23 F37 L41 W65 V66 I67 G68 L136 L138V23-L39 HydrophobicContact CG1-CD2 3.99Å; F37-L39 HydrophobicContact CD1-CB 4.38Å; F37-L39 HydrophobicContact CE1-CB 3.78Å; F37-L39 HydrophobicContact CE1-CD2 4.08Å; F37-L39 HydrophobicContact CE1-CG 4.37Å; F37-L39 HydrophobicContact CZ-CB 3.96Å; F37-L39 HydrophobicContact CZ-CD1 4.22Å; F37-L39 HydrophobicContact CZ-CG 4.48Å; L39-L41 HydrophobicContact CD1-CD2 4.22Å; L39-L41 HydrophobicContact CD2-CD2 3.79Å; L39-L41 HydrophobicContact CD2-CG 4.43Å; L39-L41 HydrophobicContact CG-CD2 3.8Å; L39-L41 HydrophobicContact CG-CG 4.21Å; L39-W65 HydrophobicContact CD2-CE3 4.27Å; L39-W65 HydrophobicContact CD2-CZ3 3.99Å; L39-V66 PolarHBondContact N-O 2.83Å; L39-I67 HydrophobicContact CB-CD1 3.66Å; L39-I67 HydrophobicContact CD2-CD1 3.77Å; L39-I67 HydrophobicContact CG-CD1 3.99Å; L39-I67 CarbonylContact O-C 3.39Å; L39-I67 VanDerWaalsContact O-CA 3.31Å; L39-I67 WeakPolarHBondContact O-CA 3.15Å; L39-G68 PolarHBondContact O-N 2.99Å; L39-L136 CarbonylContact C-O 3.44Å; L39-L136 VanDerWaalsContact CA-O 3.31Å; L39-L136 WeakPolarHBondContact CA-O 3.36Å; L39-L136 HydrophobicContact CD1-CB 3.94Å; L39-L136 HydrophobicContact CD1-CD2 3.92Å; L39-L136 HydrophobicContact CD1-CG 3.81Å; L39-L138 HydrophobicContact CD1-CD1 4.12Å; L39-L138 HydrophobicContact CD1-CG 3.93Å
40G98.8Very high97Very high0 Ų031.7 Ų31.70%022%0.216CC..EExtended strand (participates in β ladder)trans-94.3131.9169.400000111.5G68 C70 L136 L138G40-G68 CarbonylContact C-O 3.57Å; G40-G68 VanDerWaalsContact CA-O 3.27Å; G40-G68 WeakPolarHBondContact CA-O 3.41Å; G40-C70 VanDerWaalsContact C-SG 3.52Å; G40-L136 PolarHBondContact N-O 2.79Å; G40-L138 PolarHBondContact O-N 3.41Å
41L98.8Very high97Very high1 Ų131.7 Ų31.71%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-115.4137.2-176.8-63.1176.5000111.8L39 L50 I67 G68 F69 C70 Y87 F92 L138L39-L41 HydrophobicContact CD1-CD2 4.22Å; L39-L41 HydrophobicContact CD2-CD2 3.79Å; L39-L41 HydrophobicContact CD2-CG 4.43Å; L39-L41 HydrophobicContact CG-CD2 3.8Å; L39-L41 HydrophobicContact CG-CG 4.21Å; L41-L50 HydrophobicContact CD2-CD2 3.58Å; L41-I67 HydrophobicContact CD1-CD1 4.5Å; L41-I67 HydrophobicContact CD1-CG2 3.54Å; L41-I67 HydrophobicContact CG-CG2 4.06Å; L41-G68 PolarHBondContact N-O 3.49Å; L41-F69 HydrophobicContact CB-CD1 4.22Å; L41-F69 HydrophobicContact CB-CE1 4.35Å; L41-F69 HydrophobicContact CD1-CE1 4.47Å; L41-F69 CarbonylContact O-C 3.56Å; L41-F69 WeakPolarHBondContact O-CA 3.42Å; L41-C70 PolarHBondContact O-N 3.23Å; L41-Y87 HydrophobicContact CB-CE2 3.8Å; L41-Y87 HydrophobicContact CD1-CD1 4.07Å; L41-Y87 HydrophobicContact CD1-CD2 4.11Å; L41-Y87 HydrophobicContact CD1-CE1 3.87Å; L41-Y87 HydrophobicContact CD1-CE2 3.89Å; L41-Y87 HydrophobicContact CD1-CG 4.2Å; L41-Y87 HydrophobicContact CD2-CE1 4.48Å; L41-Y87 HydrophobicContact CG-CE2 4.35Å; L41-F92 HydrophobicContact CD1-CE1 4.49Å; L41-F92 HydrophobicContact CD1-CZ 4.27Å; L41-L138 HydrophobicContact CD2-CD1 4.08Å
42S98.3Very high97Very high4 Ų436.2 Ų36.23%0.02823%0.233CC..  trans-100.8161.7164-77.20000111.5Y87 L138S42-Y87 PolarHBondContact O-OH 3.3Å; S42-L138 WeakPolarHBondContact CB-O 3.34Å; S42-L138 PolarHBondContact N-O 3.11Å; S42-L138 VanDerWaalsContact N-O 3.12Å; S42-L138 PolarHBondContact OG-O 3.31Å
43G95.9Very high97Very high13 Ų1332.8 Ų32.813%0.13420%0.202CC..  trans-83.9-154.8177.100000115.2T83G43-T83 VanDerWaalsContact CA-CG2 3.49Å
44G92.2Very high97Very high45 Ų4528.2 Ų28.246%0.46417%0.17SC..THydrogen-bonded Turntrans71.7-149.7179.900000113.5L46 V47G44-L46 PolarHBondContact O-N 3.5Å; G44-L46 VanDerWaalsContact O-N 3.1Å; G44-V47 WeakPolarHBondContact O-CG2 3.39Å; G44-V47 PolarHBondContact O-N 2.89Å
45S92.3Very high97Very high76 Ų7628 Ų2853%0.53117%0.171SC..Hα-helixtrans-63.6-17.4-177.660.30000113.8V47 M49S45-V47 VanDerWaalsContact C-N 3.28Å; S45-V47 PolarHBondContact O-N 2.77Å; S45-M49 PolarHBondContact O-N 3.03Å
46L95.7Very high97Very high5 Ų529.6 Ų29.63%0.02618%0.18CC..Hα-helixtrans-62.3-36.1176178.359.8000111.7L19 G44 S48 M49 L50 L138 V194L19-L46 HydrophobicContact CD2-CD1 3.73Å; G44-L46 PolarHBondContact O-N 3.5Å; G44-L46 VanDerWaalsContact O-N 3.1Å; L46-S48 PolarHBondContact O-N 2.75Å; L46-M49 PolarHBondContact O-N 3.39Å; L46-L50 HydrophobicContact CD1-CB 4.45Å; L46-L50 VanDerWaalsContact O-CB 3.3Å; L46-L50 WeakPolarHBondContact O-CB 3.39Å; L46-L50 PolarHBondContact O-N 3.35Å; L46-L138 HydrophobicContact CD2-CB 3.8Å; L46-V194 HydrophobicContact CD1-CB 3.95Å; L46-V194 HydrophobicContact CD1-CG1 4.14Å; L46-V194 HydrophobicContact CD1-CG2 3.91Å
47V97.8Very high96.7Very high0 Ų027.3 Ų27.30%017%0.173CC..Hα-helixtrans-59.5-52.5-177.4-173.60000110.8G44 S45 S51 L86 Y87G44-V47 WeakPolarHBondContact O-CG2 3.39Å; G44-V47 PolarHBondContact O-N 2.89Å; S45-V47 VanDerWaalsContact C-N 3.28Å; S45-V47 PolarHBondContact O-N 2.77Å; V47-S51 WeakPolarHBondContact O-CB 3.31Å; V47-S51 PolarHBondContact O-N 3.03Å; V47-S51 PolarHBondContact O-OG 3.42Å; V47-L86 HydrophobicContact CB-CB 4.38Å; V47-L86 HydrophobicContact CG1-CB 3.72Å; V47-L86 HydrophobicContact CG2-CB 4.34Å; V47-L86 HydrophobicContact CG2-CD1 4.32Å; V47-Y87 HydrophobicContact CB-CE1 4.37Å; V47-Y87 HydrophobicContact CB-CE2 4.18Å; V47-Y87 HydrophobicContact CG1-CD1 3.82Å; V47-Y87 HydrophobicContact CG1-CD2 3.92Å; V47-Y87 HydrophobicContact CG1-CE1 3.86Å; V47-Y87 HydrophobicContact CG1-CE2 3.98Å; V47-Y87 HydrophobicContact CG1-CG 3.84Å; V47-Y87 HydrophobicContact CG2-CD2 4.09Å; V47-Y87 HydrophobicContact CG2-CE2 3.58Å
48S97.1Very high96.2Very high63 Ų6333.2 Ų33.244%0.44121%0.212SC..Hα-helixtrans-69.1-36.7-177.8-58.70000112.7L46 K52 Q90L46-S48 PolarHBondContact O-N 2.75Å; S48-K52 WeakPolarHBondContact O-CB 3.38Å; S48-K52 PolarHBondContact O-N 3.29Å; S48-K52 VanDerWaalsContact O-N 3.08Å; S48-Q90 VanDerWaalsContact CA-OE1 3.25Å; S48-Q90 PolarHBondContact OG-OE1 3.22Å
49M97.6Very high95.3Very high27 Ų2741.9 Ų41.913%0.13325%0.252CS..Hα-helixtrans-63-57.1173.9179179.4-74.700110.9L15 L19 S45 L46 S51 K52 E53 V194 T196L15-M49 HydrophobicContact CD2-CE 4.44Å; L15-M49 HydrophobicContact CD2-SD 3.72Å; L19-M49 HydrophobicContact CD2-CG 4.34Å; L19-M49 HydrophobicContact CD2-SD 4.08Å; S45-M49 PolarHBondContact O-N 3.03Å; L46-M49 PolarHBondContact O-N 3.39Å; M49-S51 VanDerWaalsContact C-N 3.33Å; M49-S51 PolarHBondContact O-N 2.72Å; M49-K52 PolarHBondContact O-N 3.42Å; M49-E53 HydrophobicContact CG-CG 4.41Å; M49-E53 WeakPolarHBondContact O-CB 3.24Å; M49-E53 WeakPolarHBondContact O-CG 3.33Å; M49-E53 PolarHBondContact O-N 3.5Å; M49-V194 HydrophobicContact SD-CG1 3.94Å; M49-T196 HydrophobicContact CE-CG2 4.11Å
50L97.8Very high94.5Very high1 Ų142.9 Ų42.91%0.00526%0.259CS..Hα-helixtrans-62.2-42.6-176.4-17666000111.6L19 V23 L41 L46 E53 L54 Y87 L138L19-L50 HydrophobicContact CD2-CD1 4.17Å; L19-L50 HydrophobicContact CG-CD1 4.14Å; V23-L50 HydrophobicContact CG2-CD1 3.93Å; L41-L50 HydrophobicContact CD2-CD2 3.58Å; L46-L50 HydrophobicContact CD1-CB 4.45Å; L46-L50 VanDerWaalsContact O-CB 3.3Å; L46-L50 WeakPolarHBondContact O-CB 3.39Å; L46-L50 PolarHBondContact O-N 3.35Å; L50-E53 PolarHBondContact O-N 3.29Å; L50-L54 HydrophobicContact CD1-CD1 3.8Å; L50-L54 HydrophobicContact CD1-CD2 4.49Å; L50-L54 HydrophobicContact CD1-CG 3.84Å; L50-L54 HydrophobicContact CD2-CD1 4.32Å; L50-L54 HydrophobicContact CG-CD1 3.75Å; L50-L54 HydrophobicContact CG-CG 4.18Å; L50-L54 WeakPolarHBondContact O-CB 3.41Å; L50-L54 WeakPolarHBondContact O-CG 3.36Å; L50-L54 PolarHBondContact O-N 2.84Å; L50-Y87 HydrophobicContact CD2-CE1 4.09Å; L50-L138 HydrophobicContact CD1-CD1 4.12Å; L50-L138 HydrophobicContact CD2-CD1 3.63Å; L50-L138 HydrophobicContact CG-CD1 4.49Å
51S97.8Very high94.2Very high4 Ų447.3 Ų47.33%0.02828%0.283CS..Hα-helixtrans-60.8-47.5178.7-57.40000111.4V47 M49 L55V47-S51 WeakPolarHBondContact O-CB 3.31Å; V47-S51 PolarHBondContact O-N 3.03Å; V47-S51 PolarHBondContact O-OG 3.42Å; M49-S51 VanDerWaalsContact C-N 3.33Å; M49-S51 PolarHBondContact O-N 2.72Å; S51-L55 WeakPolarHBondContact O-CB 3.11Å; S51-L55 VanDerWaalsContact O-CD1 3.31Å; S51-L55 WeakPolarHBondContact O-CD1 3.44Å; S51-L55 WeakPolarHBondContact O-CG 3.42Å; S51-L55 PolarHBondContact O-N 3.21Å
52K97.4Very high94.1Very high133 Ų13347.3 Ų47.358%0.57828%0.283SS*.Hα-helixtrans-60-48.3177.6177-170.6167.7-124.60111.4S48 M49 L55 A56S48-K52 WeakPolarHBondContact O-CB 3.38Å; S48-K52 PolarHBondContact O-N 3.29Å; S48-K52 VanDerWaalsContact O-N 3.08Å; M49-K52 PolarHBondContact O-N 3.42Å; K52-L55 PolarHBondContact O-N 3.47Å; K52-A56 PolarHBondContact O-N 3.28Å
53E97Very high94.1Very high18 Ų1849.7 Ų49.78%0.08430%0.299CS..Hα-helixtrans-77.1-35.4-169.9-60.5-63.2152.500112.3G16 P17 A20 M49 L50 L55 A56G16-E53 VanDerWaalsContact C-CG 3.48Å; P17-E53 WeakPolarHBondContact CG-OE2 3.15Å; A20-E53 HydrophobicContact CB-CB 3.75Å; M49-E53 HydrophobicContact CG-CG 4.41Å; M49-E53 WeakPolarHBondContact O-CB 3.24Å; M49-E53 WeakPolarHBondContact O-CG 3.33Å; M49-E53 PolarHBondContact O-N 3.5Å; L50-E53 PolarHBondContact O-N 3.29Å; E53-L55 VanDerWaalsContact C-N 3.34Å; E53-L55 PolarHBondContact O-N 3.4Å; E53-A56 PolarHBondContact O-N 2.96Å
54L96.6Very high94.2Very high2 Ų253.8 Ų53.81%0.0131%0.313CS..Hα-helixtrans-64.6-38.4172.3-75.1177.3000112.1A20 V23 T24 L50 A56 L57 W65 L91A20-L54 HydrophobicContact CB-CD2 4.13Å; V23-L54 HydrophobicContact CB-CD2 4.41Å; V23-L54 HydrophobicContact CG1-CD2 4.39Å; T24-L54 HydrophobicContact CG2-CD2 4.22Å; L50-L54 HydrophobicContact CD1-CD1 3.8Å; L50-L54 HydrophobicContact CD1-CD2 4.49Å; L50-L54 HydrophobicContact CD1-CG 3.84Å; L50-L54 HydrophobicContact CD2-CD1 4.32Å; L50-L54 HydrophobicContact CG-CD1 3.75Å; L50-L54 HydrophobicContact CG-CG 4.18Å; L50-L54 WeakPolarHBondContact O-CB 3.41Å; L50-L54 WeakPolarHBondContact O-CG 3.36Å; L50-L54 PolarHBondContact O-N 2.84Å; L54-A56 PolarHBondContact O-N 3.18Å; L54-L57 HydrophobicContact CD2-CD1 4.48Å; L54-L57 PolarHBondContact O-N 3.25Å; L54-W65 HydrophobicContact CD1-CH2 4.35Å; L54-W65 HydrophobicContact CD1-CZ3 4.3Å; L54-W65 HydrophobicContact CD2-CH2 4.3Å; L54-L91 HydrophobicContact CB-CD1 4.26Å; L54-L91 HydrophobicContact CD1-CD1 4.36Å; L54-L91 HydrophobicContact CD1-CD2 3.96Å
55L96.6Very high94.5Very high69 Ų6952 Ų5236%0.36129%0.293SS..Hα-helixtrans-73.3-16.6178.4-65.5172.9000113.4S51 K52 E53 L91 K94 I95S51-L55 WeakPolarHBondContact O-CB 3.11Å; S51-L55 VanDerWaalsContact O-CD1 3.31Å; S51-L55 WeakPolarHBondContact O-CD1 3.44Å; S51-L55 WeakPolarHBondContact O-CG 3.42Å; S51-L55 PolarHBondContact O-N 3.21Å; K52-L55 PolarHBondContact O-N 3.47Å; E53-L55 VanDerWaalsContact C-N 3.34Å; E53-L55 PolarHBondContact O-N 3.4Å; L55-L91 HydrophobicContact CD2-CD1 4.17Å; L55-L91 HydrophobicContact CG-CD1 4.15Å; L55-K94 HydrophobicContact CD1-CB 4.41Å; L55-K94 HydrophobicContact CD1-CD 3.55Å; L55-K94 HydrophobicContact CD2-CB 3.54Å; L55-K94 HydrophobicContact CD2-CD 4.2Å; L55-I95 HydrophobicContact CD2-CG2 4.08Å
56A95.7Very high94.8Very high74 Ų7449.4 Ų49.461%0.61227%0.273SS*.Hα-helixtrans-82.1-16.5174.300000112.9K52 E53 L54K52-A56 PolarHBondContact O-N 3.28Å; E53-A56 PolarHBondContact O-N 2.96Å; L54-A56 PolarHBondContact O-N 3.18Å
57L92.1Very high94.9Very high33 Ų3349.3 Ų49.317%0.17327%0.273CS..SBendtrans-77.3153.2175.7-63.9-179.1000111.2A20 T24 L54 Q59A20-L57 HydrophobicContact CB-CD1 3.83Å; A20-L57 HydrophobicContact CB-CG 4.33Å; T24-L57 HydrophobicContact CG2-CD1 3.69Å; L54-L57 HydrophobicContact CD2-CD1 4.48Å; L54-L57 PolarHBondContact O-N 3.25Å; L57-Q59 PolarHBondContact O-N 3.38Å; L57-Q59 VanDerWaalsContact O-N 3.17Å
58P87.7Confident94.9Very high124 Ų12449.3 Ų49.381%0.80527%0.273SS*.SBendtrans-52.6123.8163.4-21.632.8000108.8P60P58-P60 WeakPolarHBondContact O-CD 2.85Å
59Q80.1Confident95Very high186 Ų18646.3 Ų46.387%0.86925%0.252SS*.  trans-36.9105.8-165.1-73.8-177.3-900113.1L57L57-Q59 PolarHBondContact O-N 3.38Å; L57-Q59 VanDerWaalsContact O-N 3.17Å
60P81.9Confident95.1Very high23 Ų2345 Ų4515%0.14925%0.246CC..  trans-67.7140.7176.926.9-32.6000109.7T24 P58 C62 N96T24-P60 HydrophobicContact CG2-CB 3.95Å; T24-P60 HydrophobicContact CG2-CG 4.48Å; P58-P60 WeakPolarHBondContact O-CD 2.85Å; P60-C62 PolarHBondContact O-N 3.38Å; P60-C62 VanDerWaalsContact O-N 3.1Å; P60-N96 PolarHBondContact O-OD1 2.81Å
61D91.7Very high95.1Very high93 Ų9345.4 Ų45.450%0.49725%0.248SC..  trans-75.799.9173.1-177.913.7000110.2S63 W65 N96D61-S63 VanDerWaalsContact CG-OG 3.31Å; D61-S63 WeakPolarHBondContact OD1-CB 3.45Å; D61-S63 PolarHBondContact OD1-N 2.91Å; D61-S63 PolarHBondContact OD1-OG 3Å; D61-S63 PolarHBondContact OD2-OG 3.09Å; D61-W65 PolarHBondContact O-NE1 2.87Å; D61-N96 PolarHBondContact OD1-ND2 3.32Å
62C97Very high95.2Very high1 Ų145.3 Ų45.31%0.00725%0.247CC..  trans-91.56.3178.6-61.40000113.3P60 K64 W65 I95 N96 I97P60-C62 PolarHBondContact O-N 3.38Å; P60-C62 VanDerWaalsContact O-N 3.1Å; C62-K64 PolarHBondContact O-N 3.15Å; C62-K64 VanDerWaalsContact O-N 3.08Å; C62-W65 HydrophobicContact CB-CB 4.48Å; C62-W65 HydrophobicContact CB-CD2 3.99Å; C62-W65 HydrophobicContact CB-CE3 4.43Å; C62-W65 HydrophobicContact CB-CG 4Å; C62-W65 WeakPolarHBondContact O-CB 3.19Å; C62-W65 PolarHBondContact O-N 2.87Å; C62-I95 HydrophobicContact CB-CB 4.41Å; C62-I95 HydrophobicContact CB-CD1 4.15Å; C62-N96 WeakPolarHBondContact CA-OD1 3.31Å; C62-N96 WeakPolarHBondContact CB-OD1 3.2Å; C62-N96 PolarHBondContact N-OD1 3.26Å; C62-I97 HydrophobicContact CB-CB 4.11Å
63S97.6Very high95.2Very high53 Ų5340.8 Ų40.837%0.37123%0.226SC..THydrogen-bonded Turntrans-62.3-20.8-175.563.60000114.3D61 N96D61-S63 VanDerWaalsContact CG-OG 3.31Å; D61-S63 WeakPolarHBondContact OD1-CB 3.45Å; D61-S63 PolarHBondContact OD1-N 2.91Å; D61-S63 PolarHBondContact OD1-OG 3Å; D61-S63 PolarHBondContact OD2-OG 3.09Å; S63-N96 WeakPolarHBondContact CA-O 3.3Å; S63-N96 PolarHBondContact N-O 3.14Å
64K98.1Very high95.3Very high100 Ų10041 Ų4144%0.43523%0.227SC..THydrogen-bonded Turntrans-109.712.9179.3-64.4178.7175.8-178.80113.4I31 R36 F37 C62I31-K64 HydrophobicContact CD1-CB 3.93Å; I31-K64 HydrophobicContact CG1-CB 4.01Å; I31-K64 HydrophobicContact CG1-CD 4.38Å; I31-K64 HydrophobicContact CG2-CD 3.6Å; R36-K64 WeakPolarHBondContact CA-O 3.38Å; F37-K64 PolarHBondContact N-O 3.17Å; C62-K64 PolarHBondContact O-N 3.15Å; C62-K64 VanDerWaalsContact O-N 3.08Å
65W98.4Very high95.3Very high7 Ų742.1 Ų42.13%0.02724%0.235CC..EExtended strand (participates in β ladder)trans-82.9140.9178.1-69.527.2000110V23 A27 F37 L39 L54 D61 C62 I67 I97V23-W65 HydrophobicContact CG1-CH2 3.46Å; V23-W65 VanDerWaalsContact CG1-CH2 3.46Å; V23-W65 HydrophobicContact CG1-CZ2 4.23Å; V23-W65 HydrophobicContact CG1-CZ3 3.91Å; A27-W65 HydrophobicContact CB-CZ2 3.84Å; F37-W65 AromaticContact CD1-CD1 3.95Å; F37-W65 AromaticContact CD1-CD2 3.72Å; F37-W65 HydrophobicContact CD1-CD2 3.72Å; F37-W65 AromaticContact CD1-CE2 3.73Å; F37-W65 HydrophobicContact CD1-CE3 4.24Å; F37-W65 AromaticContact CD1-CG 3.89Å; F37-W65 HydrophobicContact CD1-CG 3.89Å; F37-W65 HydrophobicContact CD1-CZ2 4.28Å; F37-W65 AromaticContact CD1-NE1 3.89Å; F37-W65 HydrophobicContact CE1-CD2 4.18Å; F37-W65 HydrophobicContact CE1-CE3 4.29Å; F37-W65 HydrophobicContact CE1-CH2 4.4Å; F37-W65 HydrophobicContact CE1-CZ2 4.28Å; F37-W65 HydrophobicContact CE1-CZ3 4.4Å; F37-W65 CarbonylContact O-C 3.33Å; F37-W65 WeakPolarHBondContact O-CA 3.47Å; L39-W65 HydrophobicContact CD2-CE3 4.27Å; L39-W65 HydrophobicContact CD2-CZ3 3.99Å; L54-W65 HydrophobicContact CD1-CH2 4.35Å; L54-W65 HydrophobicContact CD1-CZ3 4.3Å; L54-W65 HydrophobicContact CD2-CH2 4.3Å; D61-W65 PolarHBondContact O-NE1 2.87Å; C62-W65 HydrophobicContact CB-CB 4.48Å; C62-W65 HydrophobicContact CB-CD2 3.99Å; C62-W65 HydrophobicContact CB-CE3 4.43Å; C62-W65 HydrophobicContact CB-CG 4Å; C62-W65 WeakPolarHBondContact O-CB 3.19Å; C62-W65 PolarHBondContact O-N 2.87Å; W65-I67 HydrophobicContact CE3-CD1 4.07Å; W65-I97 HydrophobicContact CB-CD1 4.15Å; W65-I97 HydrophobicContact CB-CG1 4.39Å
66V98.6Very high95.4Very high21 Ų2142.1 Ų42.113%0.12724%0.24CC..EExtended strand (participates in β ladder)trans-124.2114.1170.2-175.30000107.8F37 T38 L39 G101 L103 V125F37-V66 PolarHBondContact O-N 3.19Å; T38-V66 CarbonylContact C-O 3.33Å; T38-V66 VanDerWaalsContact CA-O 3.31Å; T38-V66 WeakPolarHBondContact CA-O 3.34Å; T38-V66 HydrophobicContact CG2-CB 4.13Å; L39-V66 PolarHBondContact N-O 2.83Å; V66-G101 CarbonylContact C-O 3.58Å; V66-G101 VanDerWaalsContact CA-O 3.24Å; V66-G101 WeakPolarHBondContact CA-O 2.89Å; V66-L103 HydrophobicContact CG1-CD1 3.98Å; V66-L103 HydrophobicContact CG1-CG 4.23Å; V66-V125 HydrophobicContact CG1-CG1 3.83Å
67I98.6Very high95.5Very high3 Ų341 Ų412%0.01522%0.222CC..EExtended strand (participates in β ladder)trans-99.9134.6-176.5-57.3-56.6000109.7L39 L41 W65 F69 F92 I97 G101 L103L39-I67 HydrophobicContact CB-CD1 3.66Å; L39-I67 HydrophobicContact CD2-CD1 3.77Å; L39-I67 HydrophobicContact CG-CD1 3.99Å; L39-I67 CarbonylContact O-C 3.39Å; L39-I67 VanDerWaalsContact O-CA 3.31Å; L39-I67 WeakPolarHBondContact O-CA 3.15Å; L41-I67 HydrophobicContact CD1-CD1 4.5Å; L41-I67 HydrophobicContact CD1-CG2 3.54Å; L41-I67 HydrophobicContact CG-CG2 4.06Å; W65-I67 HydrophobicContact CE3-CD1 4.07Å; I67-F69 HydrophobicContact CG2-CZ 4.28Å; I67-F92 HydrophobicContact CG1-CE1 4.34Å; I67-F92 HydrophobicContact CG2-CZ 4.09Å; I67-I97 HydrophobicContact CB-CD1 4.42Å; I67-I97 HydrophobicContact CD1-CD1 4.31Å; I67-I97 HydrophobicContact CG1-CD1 3.38Å; I67-G101 PolarHBondContact N-O 2.8Å; I67-L103 WeakPolarHBondContact O-CB 3.46Å; I67-L103 WeakPolarHBondContact O-CG 3.45Å; I67-L103 PolarHBondContact O-N 2.85Å
68G98.6Very high95.7Very high0 Ų046.6 Ų46.60%025%0.252CS..EExtended strand (participates in β ladder)trans-124.9166.9160.100000110.6L39 G40 L41L39-G68 PolarHBondContact O-N 2.99Å; G40-G68 CarbonylContact C-O 3.57Å; G40-G68 VanDerWaalsContact CA-O 3.27Å; G40-G68 WeakPolarHBondContact CA-O 3.41Å; L41-G68 PolarHBondContact N-O 3.49Å
69F98.8Very high96.1Very high1 Ų143.6 Ų43.60%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-104.3129.9173.9-60.5-81.1000110.7L41 I67 D71 T83 F84 Y87 F92 I102 L103 Y118 M180L41-F69 HydrophobicContact CB-CD1 4.22Å; L41-F69 HydrophobicContact CB-CE1 4.35Å; L41-F69 HydrophobicContact CD1-CE1 4.47Å; L41-F69 CarbonylContact O-C 3.56Å; L41-F69 WeakPolarHBondContact O-CA 3.42Å; I67-F69 HydrophobicContact CG2-CZ 4.28Å; F69-D71 VanDerWaalsContact C-N 3.25Å; F69-D71 PolarHBondContact O-N 3.43Å; F69-T83 HydrophobicContact CD1-CG2 3.67Å; F69-T83 HydrophobicContact CE1-CG2 4.05Å; F69-F84 HydrophobicContact CD2-CB 4.5Å; F69-F84 HydrophobicContact CE1-CB 4.21Å; F69-F84 HydrophobicContact CE2-CB 3.95Å; F69-F84 AromaticContact CE2-CD2 3.73Å; F69-F84 HydrophobicContact CE2-CD2 3.73Å; F69-F84 HydrophobicContact CE2-CG 4.28Å; F69-F84 HydrophobicContact CZ-CB 3.8Å; F69-F84 AromaticContact CZ-CD2 3.66Å; F69-F84 HydrophobicContact CZ-CD2 3.66Å; F69-F84 HydrophobicContact CZ-CG 4.22Å; F69-Y87 AromaticContact CE1-CD2 3.83Å; F69-Y87 HydrophobicContact CE1-CD2 3.83Å; F69-Y87 HydrophobicContact CE1-CE2 4.42Å; F69-F92 HydrophobicContact CZ-CE2 4.05Å; F69-F92 HydrophobicContact CZ-CZ 4.08Å; F69-I102 HydrophobicContact CE2-CG2 4.23Å; F69-L103 WeakPolarHBondContact CD2-O 3Å; F69-Y118 PolarHBondContact N-OH 3.34Å; F69-Y118 PolarHBondContact O-OH 2.93Å; F69-M180 WeakPolarHBondContact O-CE 3.19Å
70C98.8Very high96.9Very high0 Ų039.3 Ų39.30%022%0.217CC..SBendtrans-68.2-31.4179.1-60.80000111.3G40 L41 L139 M180G40-C70 VanDerWaalsContact C-SG 3.52Å; L41-C70 PolarHBondContact O-N 3.23Å; C70-L139 HydrophobicContact CB-CD2 3.81Å; C70-L139 VanDerWaalsContact SG-CD2 3.54Å; C70-M180 WeakPolarHBondContact O-CB 3.43Å; C70-M180 PolarHBondContact O-N 3.19Å
71D98.7Very high97.6Very high9 Ų942.2 Ų42.25%0.04823%0.229CC..EExtended strand (participates in β ladder)trans-155.3159.5166.468.2-53.9000110.2F69 C148 S149 V178F69-D71 VanDerWaalsContact C-N 3.25Å; F69-D71 PolarHBondContact O-N 3.43Å; D71-C148 HydrophobicContact CB-CB 3.98Å; D71-C148 WeakPolarHBondContact OD1-CA 3.46Å; D71-C148 VanDerWaalsContact OD2-C 3.25Å; D71-S149 PolarHBondContact OD2-OG 2.81Å; D71-V178 CarbonylContact C-O 3.59Å; D71-V178 WeakPolarHBondContact CA-O 3.26Å
72E98.6Very high97.9Very high2 Ų237.8 Ų37.81%0.00921%0.205CC..EExtended strand (participates in β ladder)trans-145149.1173.1-176.656.8-61.800110.9S82 T83 F84 I105 R177 V178E72-S82 PolarHBondContact OE2-OG 2.94Å; E72-T83 VanDerWaalsContact CD-N 3.28Å; E72-T83 WeakPolarHBondContact OE1-CB 3.4Å; E72-T83 PolarHBondContact OE1-N 3.11Å; E72-T83 PolarHBondContact OE1-OG1 2.84Å; E72-T83 PolarHBondContact OE2-N 3.16Å; E72-F84 WeakPolarHBondContact OE2-CB 3.39Å; E72-F84 PolarHBondContact OE2-N 2.83Å; E72-I105 HydrophobicContact CB-CD1 3.98Å; E72-I105 HydrophobicContact CB-CG1 4.43Å; E72-I105 HydrophobicContact CB-CG2 4.31Å; E72-I105 HydrophobicContact CG-CD1 3.46Å; E72-I105 VanDerWaalsContact CG-CD1 3.46Å; E72-I105 HydrophobicContact CG-CG1 3.93Å; E72-R177 CarbonylContact O-C 3.57Å; E72-R177 VanDerWaalsContact O-CA 3.23Å; E72-R177 WeakPolarHBondContact O-CA 3.03Å; E72-R177 WeakPolarHBondContact O-CB 3.47Å; E72-V178 PolarHBondContact N-O 2.95Å; E72-V178 PolarHBondContact O-N 2.71Å
73R98.5Very high98Very high37 Ų3737.8 Ų37.814%0.1421%0.205CC..EExtended strand (participates in β ladder)trans-85.3128.8174.6-67.969.4172.8-69.4-7.2106.4V75 E81 P174 R177R73-V75 HydrophobicContact CB-CG2 4.04Å; R73-V75 PolarHBondContact O-N 2.87Å; R73-E81 WeakPolarHBondContact CD-O 3.22Å; R73-E81 IonicContact CZ-OE2 3.21Å; R73-E81 PolarHBondContact NH1-O 2.84Å; R73-E81 IonicContact NH1-OE2 2.63Å; R73-E81 PolarHBondContact NH1-OE2 2.85Å; R73-E81 IonicContact NH2-OE2 3.23Å; R73-P174 HydrophobicContact CB-CG 3.67Å; R73-P174 HydrophobicContact CG-CG 3.74Å; R73-R177 VanDerWaalsContact NE-NH1 3.19Å
74L98.3Very high98Very high22 Ų2236.5 Ų36.512%0.11519%0.193CC..SBendtrans-78.779179.7-168.471.7000109.6I105 V111 C114 Q176L74-I105 HydrophobicContact CD1-CD1 3.88Å; L74-V111 HydrophobicContact CD2-CB 3.63Å; L74-V111 HydrophobicContact CD2-CG2 4.07Å; L74-C114 HydrophobicContact CD1-CB 4.07Å; L74-C114 WeakPolarHBondContact CD1-SG 3.32Å; L74-Q176 HydrophobicContact CB-CB 3.94Å; L74-Q176 HydrophobicContact CD2-CB 4.26Å; L74-Q176 PolarHBondContact N-O 2.93Å
75V97.9Very high98Very high27 Ų2731.9 Ų31.916%0.16417%0.174CC..SBendtrans-136.1171179.2-65.60000109R73 D79 E81 S107 P174R73-V75 HydrophobicContact CB-CG2 4.04Å; R73-V75 PolarHBondContact O-N 2.87Å; V75-D79 HydrophobicContact CB-CB 3.97Å; V75-D79 HydrophobicContact CG2-CB 3.74Å; V75-E81 HydrophobicContact CG2-CB 4.45Å; V75-S107 VanDerWaalsContact O-CB 3.29Å; V75-S107 WeakPolarHBondContact O-CB 3.4Å; V75-P174 HydrophobicContact CG1-CB 4.13Å; V75-P174 HydrophobicContact CG1-CG 3.9Å
76S97.4Very high98.1Very high69 Ų6933.7 Ų33.748%0.48318%0.184SC..  trans-57.9146.4171.2-177.70000110.7D78 D79S76-D78 PolarHBondContact O-N 2.96Å; S76-D78 PolarHBondContact OG-N 3.22Å; S76-D79 WeakPolarHBondContact O-CB 3.12Å; S76-D79 PolarHBondContact O-N 3.04Å
77F97.6Very high98.1Very high51 Ų5132.7 Ų32.722%0.22418%0.177CC..THydrogen-bonded Turntrans-69.4-13.7176.2-64.4-29.4000114.2D79 S82 F84 G85 T104 I105F77-D79 VanDerWaalsContact C-N 3.29Å; F77-S82 WeakPolarHBondContact CD1-OG 3.31Å; F77-F84 HydrophobicContact CB-CD1 4.01Å; F77-F84 HydrophobicContact CB-CE1 4.22Å; F77-F84 HydrophobicContact CD1-CB 4.49Å; F77-F84 AromaticContact CD1-CD1 3.66Å; F77-F84 HydrophobicContact CD1-CD1 3.66Å; F77-F84 HydrophobicContact CD1-CE1 4.44Å; F77-F84 AromaticContact CD2-CD1 3.59Å; F77-F84 HydrophobicContact CD2-CD1 3.59Å; F77-F84 AromaticContact CD2-CE1 3.54Å; F77-F84 HydrophobicContact CD2-CE1 3.54Å; F77-F84 HydrophobicContact CE1-CB 4.38Å; F77-F84 AromaticContact CE1-CD1 3.9Å; F77-F84 HydrophobicContact CE1-CD1 3.9Å; F77-F84 HydrophobicContact CE1-CG 4.46Å; F77-F84 AromaticContact CE2-CD1 3.84Å; F77-F84 HydrophobicContact CE2-CD1 3.84Å; F77-F84 AromaticContact CE2-CE1 3.88Å; F77-F84 HydrophobicContact CE2-CE1 3.88Å; F77-F84 AromaticContact CG-CD1 3.49Å; F77-F84 HydrophobicContact CG-CD1 3.49Å; F77-F84 VanDerWaalsContact CG-CD1 3.49Å; F77-F84 AromaticContact CG-CE1 3.85Å; F77-F84 HydrophobicContact CG-CE1 3.85Å; F77-F84 AromaticContact CZ-CD1 3.97Å; F77-F84 HydrophobicContact CZ-CD1 3.97Å; F77-F84 HydrophobicContact CZ-CE1 4.45Å; F77-G85 VanDerWaalsContact O-CA 3.25Å; F77-G85 WeakPolarHBondContact O-CA 3.37Å; F77-T104 HydrophobicContact CE2-CG2 4.08Å; F77-T104 HydrophobicContact CZ-CG2 3.99Å; F77-T104 WeakPolarHBondContact CZ-OG1 3.32Å; F77-I105 HydrophobicContact CE1-CG1 3.99Å; F77-I105 HydrophobicContact CZ-CG1 4.05Å; F77-I105 WeakPolarHBondContact CZ-O 3.37Å
78D96.6Very high98Very high149 Ų14936.1 Ų36.180%0.79719%0.193SC*.THydrogen-bonded Turntrans-82.6-8.8169-62.2-40.7000112.7S76S76-D78 PolarHBondContact O-N 2.96Å; S76-D78 PolarHBondContact OG-N 3.22Å
79D97.4Very high98Very high61 Ų6141.4 Ų41.433%0.32622%0.222SC..SBendtrans-72.9134.5177.4-166.2-65.4000110.3V75 S76 F77 E81 S82V75-D79 HydrophobicContact CB-CB 3.97Å; V75-D79 HydrophobicContact CG2-CB 3.74Å; S76-D79 WeakPolarHBondContact O-CB 3.12Å; S76-D79 PolarHBondContact O-N 3.04Å; F77-D79 VanDerWaalsContact C-N 3.29Å; D79-E81 PolarHBondContact O-N 3.37Å; D79-E81 VanDerWaalsContact O-N 3.08Å; D79-E81 VanDerWaalsContact OD1-CB 3.29Å; D79-E81 WeakPolarHBondContact OD1-CB 3.45Å; D79-E81 PolarHBondContact OD1-N 3.3Å; D79-S82 WeakPolarHBondContact O-CB 3.31Å; D79-S82 PolarHBondContact O-N 2.92Å
80P96.4Very high98Very high96 Ų9643.8 Ų43.862%0.62323%0.233SC*.THydrogen-bonded Turntrans-61.3-17178.326.1-36.3000114.2
81E96.2Very high97.9Very high84 Ų8444 Ų4439%0.39323%0.234SC..THydrogen-bonded Turntrans-83.7-8.3174.9-68-65.5138.400113.9R73 V75 D79 T83R73-E81 WeakPolarHBondContact CD-O 3.22Å; R73-E81 IonicContact CZ-OE2 3.21Å; R73-E81 PolarHBondContact NH1-O 2.84Å; R73-E81 IonicContact NH1-OE2 2.63Å; R73-E81 PolarHBondContact NH1-OE2 2.85Å; R73-E81 IonicContact NH2-OE2 3.23Å; V75-E81 HydrophobicContact CG2-CB 4.45Å; D79-E81 PolarHBondContact O-N 3.37Å; D79-E81 VanDerWaalsContact O-N 3.08Å; D79-E81 VanDerWaalsContact OD1-CB 3.29Å; D79-E81 WeakPolarHBondContact OD1-CB 3.45Å; D79-E81 PolarHBondContact OD1-N 3.3Å; E81-T83 PolarHBondContact O-N 2.98Å
82S98.3Very high97.8Very high0 Ų044 Ų440%023%0.234CC..  trans-74.9119.6174.2174.60000111.3E72 F77 D79 G85 L86E72-S82 PolarHBondContact OE2-OG 2.94Å; F77-S82 WeakPolarHBondContact CD1-OG 3.31Å; D79-S82 WeakPolarHBondContact O-CB 3.31Å; D79-S82 PolarHBondContact O-N 2.92Å; S82-G85 PolarHBondContact O-N 3.02Å; S82-G85 PolarHBondContact OG-N 3.37Å; S82-L86 VanDerWaalsContact O-CG 3.26Å; S82-L86 WeakPolarHBondContact O-CG 3.27Å; S82-L86 PolarHBondContact O-N 3.43Å
83T98.4Very high97.8Very high1 Ų148.1 Ų48.11%0.00626%0.261CS..Hα-helixtrans-62-49174-58.40000111.3G43 F69 E72 E81 L86 Y87G43-T83 VanDerWaalsContact CA-CG2 3.49Å; F69-T83 HydrophobicContact CD1-CG2 3.67Å; F69-T83 HydrophobicContact CE1-CG2 4.05Å; E72-T83 VanDerWaalsContact CD-N 3.28Å; E72-T83 WeakPolarHBondContact OE1-CB 3.4Å; E72-T83 PolarHBondContact OE1-N 3.11Å; E72-T83 PolarHBondContact OE1-OG1 2.84Å; E72-T83 PolarHBondContact OE2-N 3.16Å; E81-T83 PolarHBondContact O-N 2.98Å; T83-L86 PolarHBondContact O-N 3.32Å; T83-Y87 HydrophobicContact CG2-CD2 3.96Å; T83-Y87 HydrophobicContact CG2-CE2 3.85Å; T83-Y87 VanDerWaalsContact O-CD2 3.31Å; T83-Y87 WeakPolarHBondContact O-CD2 3.34Å; T83-Y87 PolarHBondContact O-N 3.05Å; T83-Y87 VanDerWaalsContact O-N 3.11Å
84F98.6Very high97.7Very high27 Ų2752.1 Ų52.112%0.11828%0.279CS..Hα-helixtrans-58-48.5175.3167.1-100.8000110.8F69 E72 F77 L86 Y87 Q88 F92 I102 T104F69-F84 HydrophobicContact CD2-CB 4.5Å; F69-F84 HydrophobicContact CE1-CB 4.21Å; F69-F84 HydrophobicContact CE2-CB 3.95Å; F69-F84 AromaticContact CE2-CD2 3.73Å; F69-F84 HydrophobicContact CE2-CD2 3.73Å; F69-F84 HydrophobicContact CE2-CG 4.28Å; F69-F84 HydrophobicContact CZ-CB 3.8Å; F69-F84 AromaticContact CZ-CD2 3.66Å; F69-F84 HydrophobicContact CZ-CD2 3.66Å; F69-F84 HydrophobicContact CZ-CG 4.22Å; E72-F84 WeakPolarHBondContact OE2-CB 3.39Å; E72-F84 PolarHBondContact OE2-N 2.83Å; F77-F84 HydrophobicContact CB-CD1 4.01Å; F77-F84 HydrophobicContact CB-CE1 4.22Å; F77-F84 HydrophobicContact CD1-CB 4.49Å; F77-F84 AromaticContact CD1-CD1 3.66Å; F77-F84 HydrophobicContact CD1-CD1 3.66Å; F77-F84 HydrophobicContact CD1-CE1 4.44Å; F77-F84 AromaticContact CD2-CD1 3.59Å; F77-F84 HydrophobicContact CD2-CD1 3.59Å; F77-F84 AromaticContact CD2-CE1 3.54Å; F77-F84 HydrophobicContact CD2-CE1 3.54Å; F77-F84 HydrophobicContact CE1-CB 4.38Å; F77-F84 AromaticContact CE1-CD1 3.9Å; F77-F84 HydrophobicContact CE1-CD1 3.9Å; F77-F84 HydrophobicContact CE1-CG 4.46Å; F77-F84 AromaticContact CE2-CD1 3.84Å; F77-F84 HydrophobicContact CE2-CD1 3.84Å; F77-F84 AromaticContact CE2-CE1 3.88Å; F77-F84 HydrophobicContact CE2-CE1 3.88Å; F77-F84 AromaticContact CG-CD1 3.49Å; F77-F84 HydrophobicContact CG-CD1 3.49Å; F77-F84 VanDerWaalsContact CG-CD1 3.49Å; F77-F84 AromaticContact CG-CE1 3.85Å; F77-F84 HydrophobicContact CG-CE1 3.85Å; F77-F84 AromaticContact CZ-CD1 3.97Å; F77-F84 HydrophobicContact CZ-CD1 3.97Å; F77-F84 HydrophobicContact CZ-CE1 4.45Å; F84-L86 VanDerWaalsContact C-N 3.29Å; F84-L86 PolarHBondContact O-N 3.37Å; F84-Y87 PolarHBondContact O-N 3Å; F84-Y87 VanDerWaalsContact O-N 3.11Å; F84-Q88 HydrophobicContact CE1-CB 4.36Å; F84-Q88 HydrophobicContact CE2-CB 4.47Å; F84-Q88 HydrophobicContact CZ-CB 4.21Å; F84-Q88 HydrophobicContact CZ-CG 4.29Å; F84-Q88 WeakPolarHBondContact O-CB 3.49Å; F84-Q88 PolarHBondContact O-N 3.08Å; F84-F92 HydrophobicContact CD2-CE2 4.15Å; F84-F92 HydrophobicContact CE2-CD2 4.44Å; F84-F92 HydrophobicContact CE2-CE2 4.23Å; F84-I102 HydrophobicContact CD2-CG2 4.11Å; F84-I102 HydrophobicContact CE2-CG2 3.81Å; F84-T104 HydrophobicContact CD2-CG2 4.39Å; F84-T104 HydrophobicContact CE2-CG2 4.35Å; F84-T104 HydrophobicContact CZ-CG2 4.47Å
85G98.4Very high97.5Very high3 Ų352.3 Ų52.33%0.03128%0.28CS..Hα-helixtrans-55-43.3177.700000112.7F77 S82 Q88 N89F77-G85 VanDerWaalsContact O-CA 3.25Å; F77-G85 WeakPolarHBondContact O-CA 3.37Å; S82-G85 PolarHBondContact O-N 3.02Å; S82-G85 PolarHBondContact OG-N 3.37Å; G85-Q88 PolarHBondContact O-N 2.86Å; G85-N89 WeakPolarHBondContact O-CB 3.43Å; G85-N89 VanDerWaalsContact O-CG 3.27Å; G85-N89 PolarHBondContact O-N 2.92Å; G85-N89 PolarHBondContact O-ND2 2.91Å
86L98.6Very high97.5Very high44 Ų4455 Ų5523%0.2329%0.294CS..Hα-helixtrans-64.1-43.7176.3-67.6171.1000112.5V47 S82 T83 F84 N89 Q90V47-L86 HydrophobicContact CB-CB 4.38Å; V47-L86 HydrophobicContact CG1-CB 3.72Å; V47-L86 HydrophobicContact CG2-CB 4.34Å; V47-L86 HydrophobicContact CG2-CD1 4.32Å; S82-L86 VanDerWaalsContact O-CG 3.26Å; S82-L86 WeakPolarHBondContact O-CG 3.27Å; S82-L86 PolarHBondContact O-N 3.43Å; T83-L86 PolarHBondContact O-N 3.32Å; F84-L86 VanDerWaalsContact C-N 3.29Å; F84-L86 PolarHBondContact O-N 3.37Å; L86-N89 PolarHBondContact O-N 3.01Å; L86-Q90 VanDerWaalsContact O-CB 3.29Å; L86-Q90 WeakPolarHBondContact O-CB 3.07Å; L86-Q90 VanDerWaalsContact O-CG 3.27Å; L86-Q90 WeakPolarHBondContact O-CG 3.03Å; L86-Q90 PolarHBondContact O-N 3.37Å
87Y98.6Very high97.5Very high0 Ų052.7 Ų52.70%028%0.275CS..Hα-helixtrans-69.2-37.2176.3-80.8-74000112.7L41 S42 V47 L50 F69 T83 F84 N89 Q90 L91 F92L41-Y87 HydrophobicContact CB-CE2 3.8Å; L41-Y87 HydrophobicContact CD1-CD1 4.07Å; L41-Y87 HydrophobicContact CD1-CD2 4.11Å; L41-Y87 HydrophobicContact CD1-CE1 3.87Å; L41-Y87 HydrophobicContact CD1-CE2 3.89Å; L41-Y87 HydrophobicContact CD1-CG 4.2Å; L41-Y87 HydrophobicContact CD2-CE1 4.48Å; L41-Y87 HydrophobicContact CG-CE2 4.35Å; S42-Y87 PolarHBondContact O-OH 3.3Å; V47-Y87 HydrophobicContact CB-CE1 4.37Å; V47-Y87 HydrophobicContact CB-CE2 4.18Å; V47-Y87 HydrophobicContact CG1-CD1 3.82Å; V47-Y87 HydrophobicContact CG1-CD2 3.92Å; V47-Y87 HydrophobicContact CG1-CE1 3.86Å; V47-Y87 HydrophobicContact CG1-CE2 3.98Å; V47-Y87 HydrophobicContact CG1-CG 3.84Å; V47-Y87 HydrophobicContact CG2-CD2 4.09Å; V47-Y87 HydrophobicContact CG2-CE2 3.58Å; L50-Y87 HydrophobicContact CD2-CE1 4.09Å; F69-Y87 AromaticContact CE1-CD2 3.83Å; F69-Y87 HydrophobicContact CE1-CD2 3.83Å; F69-Y87 HydrophobicContact CE1-CE2 4.42Å; T83-Y87 HydrophobicContact CG2-CD2 3.96Å; T83-Y87 HydrophobicContact CG2-CE2 3.85Å; T83-Y87 VanDerWaalsContact O-CD2 3.31Å; T83-Y87 WeakPolarHBondContact O-CD2 3.34Å; T83-Y87 PolarHBondContact O-N 3.05Å; T83-Y87 VanDerWaalsContact O-N 3.11Å; F84-Y87 PolarHBondContact O-N 3Å; F84-Y87 VanDerWaalsContact O-N 3.11Å; Y87-N89 PolarHBondContact O-N 3.38Å; Y87-Q90 PolarHBondContact O-N 2.91Å; Y87-L91 HydrophobicContact CD1-CB 4.27Å; Y87-L91 HydrophobicContact CD1-CD2 3.95Å; Y87-L91 HydrophobicContact CE1-CD2 4.3Å; Y87-L91 WeakPolarHBondContact O-CA 3.46Å; Y87-L91 PolarHBondContact O-N 3.29Å; Y87-F92 VanDerWaalsContact CB-CE2 3.5Å; Y87-F92 HydrophobicContact CG-CZ 4.16Å; Y87-F92 PolarHBondContact O-N 2.84Å
88Q98.2Very high97.4Very high75 Ų7552.6 Ų52.635%0.3528%0.28SS..Hα-helixtrans-60.7-34.7174.1-176.164.317.800111.3F84 G85 F92 P93F84-Q88 HydrophobicContact CE1-CB 4.36Å; F84-Q88 HydrophobicContact CE2-CB 4.47Å; F84-Q88 HydrophobicContact CZ-CB 4.21Å; F84-Q88 HydrophobicContact CZ-CG 4.29Å; F84-Q88 WeakPolarHBondContact O-CB 3.49Å; F84-Q88 PolarHBondContact O-N 3.08Å; G85-Q88 PolarHBondContact O-N 2.86Å; Q88-F92 HydrophobicContact CB-CD2 4.4Å; Q88-P93 WeakPolarHBondContact O-CD 3.47Å; Q88-P93 WeakPolarHBondContact O-CG 3.33Å
89N97.8Very high97.4Very high111 Ų11153.8 Ų53.859%0.59428%0.28SS*.Hα-helixtrans-82.9-37.2177.6-71.6-33.6000113G85 L86 Y87G85-N89 WeakPolarHBondContact O-CB 3.43Å; G85-N89 VanDerWaalsContact O-CG 3.27Å; G85-N89 PolarHBondContact O-N 2.92Å; G85-N89 PolarHBondContact O-ND2 2.91Å; L86-N89 PolarHBondContact O-N 3.01Å; Y87-N89 PolarHBondContact O-N 3.38Å
90Q98.1Very high97.3Very high52 Ų5256 Ų5624%0.24330%0.301CS..Hα-helixtrans-94.4-33.8-168.9-65.3179.244.200113.7S48 L86 Y87 K94S48-Q90 VanDerWaalsContact CA-OE1 3.25Å; S48-Q90 PolarHBondContact OG-OE1 3.22Å; L86-Q90 VanDerWaalsContact O-CB 3.29Å; L86-Q90 WeakPolarHBondContact O-CB 3.07Å; L86-Q90 VanDerWaalsContact O-CG 3.27Å; L86-Q90 WeakPolarHBondContact O-CG 3.03Å; L86-Q90 PolarHBondContact O-N 3.37Å; Y87-Q90 PolarHBondContact O-N 2.91Å; Q90-K94 PolarHBondContact O-NZ 3.37Å
91L97.5Very high97.3Very high4 Ų451.7 Ų51.72%0.02127%0.273CS..THydrogen-bonded Turntrans-125.5-59.1-166.8-178.959.4000114.2L54 L55 Y87 K94 I95L54-L91 HydrophobicContact CB-CD1 4.26Å; L54-L91 HydrophobicContact CD1-CD1 4.36Å; L54-L91 HydrophobicContact CD1-CD2 3.96Å; L55-L91 HydrophobicContact CD2-CD1 4.17Å; L55-L91 HydrophobicContact CG-CD1 4.15Å; Y87-L91 HydrophobicContact CD1-CB 4.27Å; Y87-L91 HydrophobicContact CD1-CD2 3.95Å; Y87-L91 HydrophobicContact CE1-CD2 4.3Å; Y87-L91 WeakPolarHBondContact O-CA 3.46Å; Y87-L91 PolarHBondContact O-N 3.29Å; L91-K94 WeakPolarHBondContact O-CB 3.2Å; L91-K94 PolarHBondContact O-N 2.9Å; L91-I95 HydrophobicContact CD1-CD1 4.21Å; L91-I95 HydrophobicContact CD1-CG1 4.5Å; L91-I95 HydrophobicContact CD1-CG2 3.85Å; L91-I95 HydrophobicContact CD2-CD1 4.4Å; L91-I95 HydrophobicContact CG-CD1 3.98Å; L91-I95 HydrophobicContact CG-CG1 4.45Å
92F97.4Very high97.4Very high9 Ų949 Ų494%0.03926%0.262CS..G310 helixtrans-57.3-39.7-163.9-59.9-34.4000115.1L41 I67 F69 F84 Y87 Q88 K94 I95 I97 I102L41-F92 HydrophobicContact CD1-CE1 4.49Å; L41-F92 HydrophobicContact CD1-CZ 4.27Å; I67-F92 HydrophobicContact CG1-CE1 4.34Å; I67-F92 HydrophobicContact CG2-CZ 4.09Å; F69-F92 HydrophobicContact CZ-CE2 4.05Å; F69-F92 HydrophobicContact CZ-CZ 4.08Å; F84-F92 HydrophobicContact CD2-CE2 4.15Å; F84-F92 HydrophobicContact CE2-CD2 4.44Å; F84-F92 HydrophobicContact CE2-CE2 4.23Å; Y87-F92 VanDerWaalsContact CB-CE2 3.5Å; Y87-F92 HydrophobicContact CG-CZ 4.16Å; Y87-F92 PolarHBondContact O-N 2.84Å; Q88-F92 HydrophobicContact CB-CD2 4.4Å; F92-K94 PolarHBondContact O-N 2.79Å; F92-K94 VanDerWaalsContact O-N 3.09Å; F92-I95 HydrophobicContact CD1-CD1 4.32Å; F92-I95 PolarHBondContact O-N 3.12Å; F92-I97 HydrophobicContact CB-CG2 4.34Å; F92-I97 HydrophobicContact CD1-CG2 4.26Å; F92-I102 HydrophobicContact CB-CD1 4.13Å; F92-I102 HydrophobicContact CD1-CD1 4.22Å; F92-I102 HydrophobicContact CD2-CD1 3.7Å; F92-I102 HydrophobicContact CE2-CD1 4.09Å; F92-I102 HydrophobicContact CE2-CG1 4.49Å; F92-I102 HydrophobicContact CE2-CG2 4Å; F92-I102 HydrophobicContact CG-CD1 3.78Å; F92-I102 HydrophobicContact CZ-CG2 4.39Å
93P96.7Very high97.4Very high89 Ų8949.9 Ų49.958%0.57827%0.266SS*.G310 helixtrans-67.1-10.5177.1-22.734.5000114.6Q88Q88-P93 WeakPolarHBondContact O-CD 3.47Å; Q88-P93 WeakPolarHBondContact O-CG 3.33Å
94K96.4Very high97.4Very high121 Ų12151 Ų5153%0.52627%0.273SS..G310 helixtrans-109.91.4-173.6-58.1171.8-170.1160.50112.8L55 Q90 L91 F92L55-K94 HydrophobicContact CD1-CB 4.41Å; L55-K94 HydrophobicContact CD1-CD 3.55Å; L55-K94 HydrophobicContact CD2-CB 3.54Å; L55-K94 HydrophobicContact CD2-CD 4.2Å; Q90-K94 PolarHBondContact O-NZ 3.37Å; L91-K94 WeakPolarHBondContact O-CB 3.2Å; L91-K94 PolarHBondContact O-N 2.9Å; F92-K94 PolarHBondContact O-N 2.79Å; F92-K94 VanDerWaalsContact O-N 3.09Å
95I96Very high97.4Very high25 Ų2550 Ų5013%0.12827%0.269CS..SBendtrans-127.4156.4175.860.3168.8000109.7L55 C62 L91 F92 I97L55-I95 HydrophobicContact CD2-CG2 4.08Å; C62-I95 HydrophobicContact CB-CB 4.41Å; C62-I95 HydrophobicContact CB-CD1 4.15Å; L91-I95 HydrophobicContact CD1-CD1 4.21Å; L91-I95 HydrophobicContact CD1-CG1 4.5Å; L91-I95 HydrophobicContact CD1-CG2 3.85Å; L91-I95 HydrophobicContact CD2-CD1 4.4Å; L91-I95 HydrophobicContact CG-CD1 3.98Å; L91-I95 HydrophobicContact CG-CG1 4.45Å; F92-I95 HydrophobicContact CD1-CD1 4.32Å; F92-I95 PolarHBondContact O-N 3.12Å; I95-I97 HydrophobicContact CD1-CB 4.13Å; I95-I97 HydrophobicContact CD1-CG2 3.93Å; I95-I97 HydrophobicContact CG1-CB 4.26Å; I95-I97 HydrophobicContact CG1-CG2 3.82Å; I95-I97 PolarHBondContact O-N 3.09Å
96N96.3Very high97.4Very high85 Ų8552.7 Ų52.746%0.45528%0.283SS..  trans-83.939.9-176.169.5-32.5000113.4P60 D61 C62 S63P60-N96 PolarHBondContact O-OD1 2.81Å; D61-N96 PolarHBondContact OD1-ND2 3.32Å; C62-N96 WeakPolarHBondContact CA-OD1 3.31Å; C62-N96 WeakPolarHBondContact CB-OD1 3.2Å; C62-N96 PolarHBondContact N-OD1 3.26Å; S63-N96 WeakPolarHBondContact CA-O 3.3Å; S63-N96 PolarHBondContact N-O 3.14Å
97I97.1Very high97.3Very high20 Ų2052.5 Ų52.510%0.10329%0.285CS..  trans-79132.8176.1-170.5173.3000110.5C62 W65 I67 F92 I95 I102C62-I97 HydrophobicContact CB-CB 4.11Å; W65-I97 HydrophobicContact CB-CD1 4.15Å; W65-I97 HydrophobicContact CB-CG1 4.39Å; I67-I97 HydrophobicContact CB-CD1 4.42Å; I67-I97 HydrophobicContact CD1-CD1 4.31Å; I67-I97 HydrophobicContact CG1-CD1 3.38Å; F92-I97 HydrophobicContact CB-CG2 4.34Å; F92-I97 HydrophobicContact CD1-CG2 4.26Å; I95-I97 HydrophobicContact CD1-CB 4.13Å; I95-I97 HydrophobicContact CD1-CG2 3.93Å; I95-I97 HydrophobicContact CG1-CB 4.26Å; I95-I97 HydrophobicContact CG1-CG2 3.82Å; I95-I97 PolarHBondContact O-N 3.09Å; I97-I102 HydrophobicContact CD1-CD1 4.33Å; I97-I102 HydrophobicContact CD1-CG1 3.71Å; I97-I102 HydrophobicContact CG1-CG1 4.28Å; I97-I102 HydrophobicContact CG2-CD1 4.02Å
98P96.5Very high97.2Very high48 Ų4857.2 Ų57.231%0.31232%0.318SS..  trans-70.4143.7173.528.5-34.7000111S100 G101P98-S100 PolarHBondContact O-N 3.3Å; P98-G101 WeakPolarHBondContact O-CA 3.5Å; P98-G101 PolarHBondContact O-N 3.18Å
99E96.1Very high97.2Very high174 Ų17455.8 Ų55.881%0.81331%0.312SS*.G310 helixtrans-56.9-37.7175.5-67.7-179.2175.700112.2G101 I102E99-G101 PolarHBondContact O-N 2.83Å; E99-I102 PolarHBondContact O-N 2.81Å
100S96Very high97.2Very high109 Ų10953.9 Ų53.976%0.76231%0.306SS*.G310 helixtrans-65.1-16.3174.558.30000113.8P98 I102P98-S100 PolarHBondContact O-N 3.3Å; S100-I102 VanDerWaalsContact C-N 3.34Å
101G96.9Very high97.2Very high4 Ų452.1 Ų52.14%0.04130%0.299CS..G310 helixtrans-82.9-6.2171.800000113.2V66 I67 P98 E99V66-G101 CarbonylContact C-O 3.58Å; V66-G101 VanDerWaalsContact CA-O 3.24Å; V66-G101 WeakPolarHBondContact CA-O 2.89Å; I67-G101 PolarHBondContact N-O 2.8Å; P98-G101 WeakPolarHBondContact O-CA 3.5Å; P98-G101 PolarHBondContact O-N 3.18Å; E99-G101 PolarHBondContact O-N 2.83Å
102I98.4Very high97.3Very high28 Ų2854.3 Ų54.314%0.14432%0.317CS..BIsolated β-bridgetrans-107107.8179.8-57164.7000109.5F69 F84 F92 I97 E99 S100F69-I102 HydrophobicContact CE2-CG2 4.23Å; F84-I102 HydrophobicContact CD2-CG2 4.11Å; F84-I102 HydrophobicContact CE2-CG2 3.81Å; F92-I102 HydrophobicContact CB-CD1 4.13Å; F92-I102 HydrophobicContact CD1-CD1 4.22Å; F92-I102 HydrophobicContact CD2-CD1 3.7Å; F92-I102 HydrophobicContact CE2-CD1 4.09Å; F92-I102 HydrophobicContact CE2-CG1 4.49Å; F92-I102 HydrophobicContact CE2-CG2 4Å; F92-I102 HydrophobicContact CG-CD1 3.78Å; F92-I102 HydrophobicContact CZ-CG2 4.39Å; I97-I102 HydrophobicContact CD1-CD1 4.33Å; I97-I102 HydrophobicContact CD1-CG1 3.71Å; I97-I102 HydrophobicContact CG1-CG1 4.28Å; I97-I102 HydrophobicContact CG2-CD1 4.02Å; E99-I102 PolarHBondContact O-N 2.81Å; S100-I102 VanDerWaalsContact C-N 3.34Å
103L98.3Very high97.3Very high19 Ų1958.8 Ų58.810%0.09934%0.339CS..  trans-92.6108.1177.3-49.5175.6000108.8V66 I67 F69 Y118 L122 V125V66-L103 HydrophobicContact CG1-CD1 3.98Å; V66-L103 HydrophobicContact CG1-CG 4.23Å; I67-L103 WeakPolarHBondContact O-CB 3.46Å; I67-L103 WeakPolarHBondContact O-CG 3.45Å; I67-L103 PolarHBondContact O-N 2.85Å; F69-L103 WeakPolarHBondContact CD2-O 3Å; L103-Y118 HydrophobicContact CB-CE2 4.32Å; L103-L122 HydrophobicContact CD1-CD2 3.83Å; L103-V125 HydrophobicContact CD1-CB 4.1Å; L103-V125 HydrophobicContact CD1-CG1 4.28Å; L103-V125 HydrophobicContact CD1-CG2 3.68Å; L103-V125 HydrophobicContact CD2-CG2 3.99Å; L103-V125 HydrophobicContact CG-CG2 4.44Å
104T97.6Very high97.4Very high25 Ų2554.6 Ų54.615%0.15331%0.311CS..  trans-118.2162.1175.2-1670000111.6F77 F84 K121F77-T104 HydrophobicContact CE2-CG2 4.08Å; F77-T104 HydrophobicContact CZ-CG2 3.99Å; F77-T104 WeakPolarHBondContact CZ-OG1 3.32Å; F84-T104 HydrophobicContact CD2-CG2 4.39Å; F84-T104 HydrophobicContact CE2-CG2 4.35Å; F84-T104 HydrophobicContact CZ-CG2 4.47Å; T104-K121 PolarHBondContact O-NZ 2.82Å
105I98.4Very high97.5Very high5 Ų549 Ų493%0.02629%0.287CS..  trans-65.5164.7173.766.6165.9000110.9E72 L74 F77 Y118 V178E72-I105 HydrophobicContact CB-CD1 3.98Å; E72-I105 HydrophobicContact CB-CG1 4.43Å; E72-I105 HydrophobicContact CB-CG2 4.31Å; E72-I105 HydrophobicContact CG-CD1 3.46Å; E72-I105 VanDerWaalsContact CG-CD1 3.46Å; E72-I105 HydrophobicContact CG-CG1 3.93Å; L74-I105 HydrophobicContact CD1-CD1 3.88Å; F77-I105 HydrophobicContact CE1-CG1 3.99Å; F77-I105 HydrophobicContact CZ-CG1 4.05Å; F77-I105 WeakPolarHBondContact CZ-O 3.37Å; I105-Y118 HydrophobicContact CG2-CD1 4.08Å; I105-Y118 HydrophobicContact CG2-CD2 4.13Å; I105-Y118 HydrophobicContact CG2-CG 3.84Å; I105-V178 HydrophobicContact CG2-CB 4.18Å; I105-V178 HydrophobicContact CG2-CG1 4.09Å
106D97.9Very high97.6Very high59 Ų5954 Ų5432%0.31631%0.31SS..  trans-97.5103.4162.9-174.2-20.5000109S108 L109 C114D106-S108 PolarHBondContact O-N 3.25Å; D106-S108 VanDerWaalsContact OD1-CB 3.31Å; D106-S108 WeakPolarHBondContact OD1-CB 3.27Å; D106-S108 PolarHBondContact OD1-N 2.83Å; D106-S108 PolarHBondContact OD1-OG 2.85Å; D106-L109 HydrophobicContact CB-CD1 3.81Å; D106-L109 HydrophobicContact CB-CG 3.96Å; D106-L109 PolarHBondContact O-N 3.37Å; D106-C114 PolarHBondContact O-SG 2.87Å
107S96.5Very high97.7Very high41 Ų4152.2 Ų52.229%0.28730%0.301SS..THydrogen-bonded Turntrans-70.6-6.8-177.163.90000114.2V75V75-S107 VanDerWaalsContact O-CB 3.29Å; V75-S107 WeakPolarHBondContact O-CB 3.4Å
108S97.2Very high97.8Very high98 Ų9851.4 Ų51.469%0.68530%0.296SS*.THydrogen-bonded Turntrans-84.5-16.7175.675.70000113.1D106D106-S108 PolarHBondContact O-N 3.25Å; D106-S108 VanDerWaalsContact OD1-CB 3.31Å; D106-S108 WeakPolarHBondContact OD1-CB 3.27Å; D106-S108 PolarHBondContact OD1-N 2.83Å; D106-S108 PolarHBondContact OD1-OG 2.85Å
109L98.2Very high97.9Very high45 Ų4549.7 Ų49.724%0.23629%0.287CS..SBendtrans-83.8150.3-178.6-63.9178.8000112.2D106 E113 C114 D117D106-L109 HydrophobicContact CB-CD1 3.81Å; D106-L109 HydrophobicContact CB-CG 3.96Å; D106-L109 PolarHBondContact O-N 3.37Å; L109-E113 HydrophobicContact CB-CB 4.26Å; L109-C114 HydrophobicContact CB-CB 3.98Å; L109-D117 HydrophobicContact CD1-CB 3.88Å
110P98.2Very high97.9Very high72 Ų7244.8 Ų44.847%0.46827%0.271SS..  trans-55.9147.1165.5-23.634.7000111.5A112 E113 C114P110-A112 VanDerWaalsContact C-N 3.25Å; P110-A112 PolarHBondContact O-N 2.86Å; P110-E113 PolarHBondContact O-N 3.02Å; P110-C114 WeakPolarHBondContact O-CB 3.34Å; P110-C114 PolarHBondContact O-N 2.81Å
111V98.3Very high98Very high15 Ų1542.3 Ų42.39%0.09125%0.246CC..Hα-helixtrans-52.8-37.4-169.570.60000114.9L74 A115 P166 Q176 R177 V178L74-V111 HydrophobicContact CD2-CB 3.63Å; L74-V111 HydrophobicContact CD2-CG2 4.07Å; V111-A115 WeakPolarHBondContact O-CB 3.28Å; V111-A115 PolarHBondContact O-N 2.92Å; V111-P166 HydrophobicContact CB-CB 4.44Å; V111-P166 HydrophobicContact CG1-CB 4.2Å; V111-P166 HydrophobicContact CG2-CB 3.82Å; V111-P166 WeakPolarHBondContact O-CB 3.26Å; V111-Q176 HydrophobicContact CG2-CB 4.35Å; V111-R177 WeakPolarHBondContact CG2-O 3.32Å; V111-V178 HydrophobicContact CG2-CG2 4.29Å
112A98.3Very high98Very high49 Ų4942.1 Ų42.141%0.40524%0.244SC..Hα-helixtrans-66.9-49.7177.600000112.1P110 C114 A115 E116P110-A112 VanDerWaalsContact C-N 3.25Å; P110-A112 PolarHBondContact O-N 2.86Å; A112-C114 VanDerWaalsContact C-N 3.32Å; A112-C114 PolarHBondContact O-N 3.02Å; A112-A115 PolarHBondContact O-N 3.42Å; A112-E116 WeakPolarHBondContact O-CG 3.4Å; A112-E116 PolarHBondContact O-N 2.84Å; A112-E116 VanDerWaalsContact O-N 3.11Å
113E98.6Very high97.9Very high104 Ų10446.7 Ų46.749%0.48626%0.263SS..Hα-helixtrans-65-38.2177.5-66.9171.3-130.800111.3L109 P110 A115 E116 D117L109-E113 HydrophobicContact CB-CB 4.26Å; P110-E113 PolarHBondContact O-N 3.02Å; E113-A115 PolarHBondContact O-N 3.12Å; E113-E116 PolarHBondContact O-N 2.85Å; E113-D117 WeakPolarHBondContact O-CB 3.34Å; E113-D117 PolarHBondContact O-N 2.76Å
114C98.6Very high97.8Very high0 Ų053.1 Ų53.10%029%0.293CS..Hα-helixtrans-59.4-44.2174.7-172.20000112.1L74 D106 L109 P110 A112 Y118 V178L74-C114 HydrophobicContact CD1-CB 4.07Å; L74-C114 WeakPolarHBondContact CD1-SG 3.32Å; D106-C114 PolarHBondContact O-SG 2.87Å; L109-C114 HydrophobicContact CB-CB 3.98Å; P110-C114 WeakPolarHBondContact O-CB 3.34Å; P110-C114 PolarHBondContact O-N 2.81Å; A112-C114 VanDerWaalsContact C-N 3.32Å; A112-C114 PolarHBondContact O-N 3.02Å; C114-Y118 WeakPolarHBondContact O-CB 3.41Å; C114-Y118 PolarHBondContact O-N 3.5Å; C114-V178 HydrophobicContact CB-CG2 4.14Å
115A98.6Very high97.7Very high3 Ų353.2 Ų53.23%0.02529%0.293CS..Hα-helixtrans-65.8-37.4175.900000112.4V111 A112 E113 A119 V164 P166 V178V111-A115 WeakPolarHBondContact O-CB 3.28Å; V111-A115 PolarHBondContact O-N 2.92Å; A112-A115 PolarHBondContact O-N 3.42Å; E113-A115 PolarHBondContact O-N 3.12Å; A115-A119 VanDerWaalsContact O-CB 3.26Å; A115-A119 WeakPolarHBondContact O-CB 3.37Å; A115-A119 PolarHBondContact O-N 3.46Å; A115-V164 HydrophobicContact CB-CG1 3.98Å; A115-P166 HydrophobicContact CB-CB 3.94Å; A115-P166 HydrophobicContact CB-CG 4.27Å; A115-V178 HydrophobicContact CB-CG1 4.09Å; A115-V178 HydrophobicContact CB-CG2 4.33Å
116E98.5Very high97.4Very high131 Ų13153.6 Ų53.661%0.61230%0.295SS*.Hα-helixtrans-69.7-42.9176.6-71.7179-175.400112.6A112 E113 A119 C120A112-E116 WeakPolarHBondContact O-CG 3.4Å; A112-E116 PolarHBondContact O-N 2.84Å; A112-E116 VanDerWaalsContact O-N 3.11Å; E113-E116 PolarHBondContact O-N 2.85Å; E116-A119 WeakPolarHBondContact O-CB 3.48Å; E116-A119 PolarHBondContact O-N 3.07Å; E116-C120 PolarHBondContact O-N 2.83Å; E116-C120 PolarHBondContact O-SG 3.3Å; E116-C120 VanDerWaalsContact O-SG 3.37Å
117D98.6Very high96.7Very high47 Ų4755.4 Ų55.425%0.25131%0.31SS..Hα-helixtrans-59.1-49.4173.2169.668.7000110.8L109 E113 A119 C120 K121L109-D117 HydrophobicContact CD1-CB 3.88Å; E113-D117 WeakPolarHBondContact O-CB 3.34Å; E113-D117 PolarHBondContact O-N 2.76Å; D117-A119 VanDerWaalsContact C-N 3.31Å; D117-A119 PolarHBondContact O-N 2.93Å; D117-C120 WeakPolarHBondContact O-CB 3.18Å; D117-C120 PolarHBondContact O-N 3.15Å; D117-K121 PolarHBondContact O-N 3.25Å; D117-K121 IonicContact OD1-NZ 3.62Å; D117-K121 WeakPolarHBondContact OD2-CE 3.4Å; D117-K121 IonicContact OD2-NZ 3.13Å; D117-K121 PolarHBondContact OD2-NZ 3.2Å
118Y98.7Very high95.9Very high3 Ų357.7 Ų57.71%0.01234%0.34CS..Hα-helixtrans-64-38.1178.9-171.9-127.5000112.1F69 L103 I105 C114 C120 K121 L122 V164 V178F69-Y118 PolarHBondContact N-OH 3.34Å; F69-Y118 PolarHBondContact O-OH 2.93Å; L103-Y118 HydrophobicContact CB-CE2 4.32Å; I105-Y118 HydrophobicContact CG2-CD1 4.08Å; I105-Y118 HydrophobicContact CG2-CD2 4.13Å; I105-Y118 HydrophobicContact CG2-CG 3.84Å; C114-Y118 WeakPolarHBondContact O-CB 3.41Å; C114-Y118 PolarHBondContact O-N 3.5Å; Y118-C120 VanDerWaalsContact C-N 3.34Å; Y118-C120 PolarHBondContact O-N 3.38Å; Y118-K121 PolarHBondContact O-N 3.04Å; Y118-L122 HydrophobicContact CD1-CD1 4.33Å; Y118-L122 HydrophobicContact CE1-CD1 3.93Å; Y118-L122 HydrophobicContact CE1-CG 4.44Å; Y118-L122 HydrophobicContact CE2-CD2 4.29Å; Y118-L122 HydrophobicContact CE2-CG 4.27Å; Y118-L122 WeakPolarHBondContact O-CG 3.41Å; Y118-L122 PolarHBondContact O-N 3.03Å; Y118-V164 HydrophobicContact CD1-CB 4.46Å; Y118-V164 HydrophobicContact CD1-CG1 3.88Å; Y118-V164 HydrophobicContact CD1-CG2 3.73Å; Y118-V164 HydrophobicContact CE1-CG2 4.16Å; Y118-V178 HydrophobicContact CD1-CG1 3.98Å
119A98.1Very high95.1Very high13 Ų1358.8 Ų58.811%0.10733%0.334CS..Hα-helixtrans-58.1-45.4170.900000112A115 E116 D117 L122 K123 I163 V164A115-A119 VanDerWaalsContact O-CB 3.26Å; A115-A119 WeakPolarHBondContact O-CB 3.37Å; A115-A119 PolarHBondContact O-N 3.46Å; E116-A119 WeakPolarHBondContact O-CB 3.48Å; E116-A119 PolarHBondContact O-N 3.07Å; D117-A119 VanDerWaalsContact C-N 3.31Å; D117-A119 PolarHBondContact O-N 2.93Å; A119-L122 PolarHBondContact O-N 2.97Å; A119-K123 WeakPolarHBondContact O-CG 3.41Å; A119-K123 PolarHBondContact O-N 3.05Å; A119-I163 VanDerWaalsContact CA-CD1 3.4Å; A119-I163 HydrophobicContact CB-CD1 3.52Å; A119-I163 HydrophobicContact CB-CG1 3.6Å; A119-I163 WeakPolarHBondContact O-CD1 3.48Å; A119-V164 HydrophobicContact CB-CB 4.15Å; A119-V164 HydrophobicContact CB-CG2 4.37Å
120C97.1Very high94.6Very high71 Ų7164.5 Ų64.548%0.4836%0.359SS..Hα-helixtrans-61.8-45.9177.6-750000112.1E116 D117 Y118 L122 K123 Q124E116-C120 PolarHBondContact O-N 2.83Å; E116-C120 PolarHBondContact O-SG 3.3Å; E116-C120 VanDerWaalsContact O-SG 3.37Å; D117-C120 WeakPolarHBondContact O-CB 3.18Å; D117-C120 PolarHBondContact O-N 3.15Å; Y118-C120 VanDerWaalsContact C-N 3.34Å; Y118-C120 PolarHBondContact O-N 3.38Å; C120-L122 VanDerWaalsContact C-N 3.34Å; C120-L122 PolarHBondContact O-N 2.67Å; C120-K123 PolarHBondContact O-N 2.84Å; C120-Q124 WeakPolarHBondContact O-CG 3.26Å; C120-Q124 PolarHBondContact O-N 3.28Å
121K97.6Very high94.4Very high56 Ų5662.8 Ų62.824%0.24334%0.344CS..Hα-helixtrans-56.8-45.8175.5-71.2168.9176.1164.70111.8T104 D117 Y118 Q124 V125T104-K121 PolarHBondContact O-NZ 2.82Å; D117-K121 PolarHBondContact O-N 3.25Å; D117-K121 IonicContact OD1-NZ 3.62Å; D117-K121 WeakPolarHBondContact OD2-CE 3.4Å; D117-K121 IonicContact OD2-NZ 3.13Å; D117-K121 PolarHBondContact OD2-NZ 3.2Å; Y118-K121 PolarHBondContact O-N 3.04Å; K121-Q124 PolarHBondContact O-N 3.47Å; K121-V125 PolarHBondContact O-N 3.17Å
122L97.4Very high94.3Very high0 Ų062.2 Ų62.20%034%0.341CS..Hα-helixtrans-62.5-47.5176.1-68.7-179.2000111.4L103 Y118 A119 C120 Q124 V125 F126 P132 F134 I163 V164 M180L103-L122 HydrophobicContact CD1-CD2 3.83Å; Y118-L122 HydrophobicContact CD1-CD1 4.33Å; Y118-L122 HydrophobicContact CE1-CD1 3.93Å; Y118-L122 HydrophobicContact CE1-CG 4.44Å; Y118-L122 HydrophobicContact CE2-CD2 4.29Å; Y118-L122 HydrophobicContact CE2-CG 4.27Å; Y118-L122 WeakPolarHBondContact O-CG 3.41Å; Y118-L122 PolarHBondContact O-N 3.03Å; A119-L122 PolarHBondContact O-N 2.97Å; C120-L122 VanDerWaalsContact C-N 3.34Å; C120-L122 PolarHBondContact O-N 2.67Å; L122-Q124 VanDerWaalsContact C-N 3.28Å; L122-Q124 PolarHBondContact O-N 2.66Å; L122-V125 PolarHBondContact O-N 2.51Å; L122-F126 VanDerWaalsContact O-CD2 3.27Å; L122-F126 WeakPolarHBondContact O-CD2 3.47Å; L122-F126 PolarHBondContact O-N 3.11Å; L122-P132 HydrophobicContact CB-CG 4.16Å; L122-F134 HydrophobicContact CD2-CZ 3.91Å; L122-I163 HydrophobicContact CB-CD1 4.2Å; L122-V164 HydrophobicContact CD1-CG2 3.68Å; L122-M180 HydrophobicContact CD1-CE 3.89Å; L122-M180 HydrophobicContact CD2-CE 4.39Å
123K96Very high94.2Very high125 Ų12561.5 Ų61.554%0.54333%0.332SS..Hα-helixtrans-59-36.5179.5-76176.8178.8-179.50113.5A119 C120 V125 F126 I163A119-K123 WeakPolarHBondContact O-CG 3.41Å; A119-K123 PolarHBondContact O-N 3.05Å; C120-K123 PolarHBondContact O-N 2.84Å; K123-V125 VanDerWaalsContact C-N 3.26Å; K123-V125 PolarHBondContact O-N 3.39Å; K123-F126 CarbonylContact O-C 3.59Å; K123-F126 PolarHBondContact O-N 3.3Å; K123-I163 HydrophobicContact CD-CD1 4.22Å; K123-I163 HydrophobicContact CG-CD1 3.73Å
124Q95.1Very high94.2Very high154 Ų15456.6 Ų56.672%0.7231%0.309SS*.Hα-helixtrans-62.8-35.4176.8-72.3172.8-2.900112.1C120 K121 L122C120-Q124 WeakPolarHBondContact O-CG 3.26Å; C120-Q124 PolarHBondContact O-N 3.28Å; K121-Q124 PolarHBondContact O-N 3.47Å; L122-Q124 VanDerWaalsContact C-N 3.28Å; L122-Q124 PolarHBondContact O-N 2.66Å
125V94.8Very high94.2Very high27 Ų2757.1 Ų57.116%0.16431%0.312CS..Hα-helixtrans-79.4-27.8178.7172.10000112.3R36 V66 L103 K121 L122 K123 P127R36-V125 VanDerWaalsContact CZ-O 3.23Å; R36-V125 PolarHBondContact NH1-O 3.45Å; R36-V125 PolarHBondContact NH2-O 2.87Å; V66-V125 HydrophobicContact CG1-CG1 3.83Å; L103-V125 HydrophobicContact CD1-CB 4.1Å; L103-V125 HydrophobicContact CD1-CG1 4.28Å; L103-V125 HydrophobicContact CD1-CG2 3.68Å; L103-V125 HydrophobicContact CD2-CG2 3.99Å; L103-V125 HydrophobicContact CG-CG2 4.44Å; K121-V125 PolarHBondContact O-N 3.17Å; L122-V125 PolarHBondContact O-N 2.51Å; K123-V125 VanDerWaalsContact C-N 3.26Å; K123-V125 PolarHBondContact O-N 3.39Å; V125-P127 WeakPolarHBondContact O-CD 3.33Å
126F93.9Very high94.2Very high13 Ų1357 Ų576%0.05731%0.31CS..SBendtrans-114.767.4180-62.2-89000111.8T38 L122 K123 P132 V133 F134T38-F126 HydrophobicContact CG2-CE1 3.77Å; T38-F126 HydrophobicContact CG2-CZ 3.6Å; L122-F126 VanDerWaalsContact O-CD2 3.27Å; L122-F126 WeakPolarHBondContact O-CD2 3.47Å; L122-F126 PolarHBondContact O-N 3.11Å; K123-F126 CarbonylContact O-C 3.59Å; K123-F126 PolarHBondContact O-N 3.3Å; F126-P132 HydrophobicContact CB-CB 4.16Å; F126-P132 HydrophobicContact CB-CG 4.39Å; F126-P132 HydrophobicContact CD1-CB 4.28Å; F126-P132 HydrophobicContact CD2-CB 3.59Å; F126-P132 HydrophobicContact CD2-CG 4.14Å; F126-P132 HydrophobicContact CE2-CB 3.97Å; F126-P132 HydrophobicContact CG-CB 3.76Å; F126-P132 HydrophobicContact CG-CG 4.41Å; F126-P132 HydrophobicContact CZ-CB 4.45Å; F126-V133 VanDerWaalsContact CE1-O 3.29Å; F126-V133 WeakPolarHBondContact CE1-O 3.34Å; F126-F134 HydrophobicContact CE2-CD2 4.46Å; F126-F134 HydrophobicContact CE2-CE1 4.17Å; F126-F134 AromaticContact CE2-CE2 3.92Å; F126-F134 HydrophobicContact CE2-CE2 3.92Å; F126-F134 AromaticContact CE2-CZ 3.75Å; F126-F134 HydrophobicContact CE2-CZ 3.75Å; F126-F134 HydrophobicContact CZ-CD1 4.01Å; F126-F134 HydrophobicContact CZ-CD2 4.04Å; F126-F134 AromaticContact CZ-CE1 3.91Å; F126-F134 HydrophobicContact CZ-CE1 3.91Å; F126-F134 AromaticContact CZ-CE2 3.94Å; F126-F134 HydrophobicContact CZ-CE2 3.94Å; F126-F134 HydrophobicContact CZ-CG 4.07Å; F126-F134 AromaticContact CZ-CZ 3.87Å; F126-F134 HydrophobicContact CZ-CZ 3.87Å
127P83Confident94.2Very high97 Ų9750.7 Ų50.763%0.6328%0.281SS*.THydrogen-bonded Turntrans-70.3139.5-176.930.1-35.6000111.8V125 E129V125-P127 WeakPolarHBondContact O-CD 3.33Å; P127-E129 VanDerWaalsContact C-N 3.32Å; P127-E129 PolarHBondContact O-N 2.76Å
128G80.1Confident94.2Very high89 Ų8948.5 Ų48.592%0.91827%0.269SS*.THydrogen-bonded Turntrans85-4.9170.900000115.9
129E79.3Confident94.2Very high120 Ų12048.3 Ų48.356%0.56127%0.269SS*.  trans-96146.1174.6-61.3-67168.400110.8P127 F131P127-E129 VanDerWaalsContact C-N 3.32Å; P127-E129 PolarHBondContact O-N 2.76Å; E129-F131 VanDerWaalsContact C-N 3.31Å; E129-F131 WeakPolarHBondContact CB-O 3.45Å
130E86.9Confident94.1Very high166 Ų16648.8 Ų48.878%0.77628%0.275SS*.SBendtrans-63.6-40.9173.4-171.3-179.2175.500111
131F94.3Very high94.1Very high35 Ų3545.8 Ų45.815%0.15425%0.254CS..SBendtrans-130143175.6-61.2-78.1000110.3E129 V133 K161 I163 P183 V184 A187E129-F131 VanDerWaalsContact C-N 3.31Å; E129-F131 WeakPolarHBondContact CB-O 3.45Å; F131-V133 PolarHBondContact O-N 2.93Å; F131-K161 WeakPolarHBondContact CE1-O 3.36Å; F131-I163 HydrophobicContact CD1-CG2 3.74Å; F131-I163 HydrophobicContact CE1-CG2 4.36Å; F131-P183 HydrophobicContact CD1-CB 3.46Å; F131-P183 VanDerWaalsContact CD1-CB 3.46Å; F131-P183 HydrophobicContact CD2-CB 4.3Å; F131-P183 HydrophobicContact CE1-CB 3.24Å; F131-P183 HydrophobicContact CE1-CG 4.07Å; F131-P183 HydrophobicContact CE2-CB 4.1Å; F131-P183 HydrophobicContact CG-CB 4.02Å; F131-P183 HydrophobicContact CZ-CB 3.6Å; F131-P183 HydrophobicContact CZ-CG 4.27Å; F131-V184 HydrophobicContact CD1-CG2 4.38Å; F131-A187 HydrophobicContact CB-CB 4.14Å
132P95.9Very high93.8Very high4 Ų443.5 Ų43.53%0.02625%0.246CC..  trans-50.6123.2170-31.137.4000113.1L122 F126 F134 I163 V184L122-P132 HydrophobicContact CB-CG 4.16Å; F126-P132 HydrophobicContact CB-CB 4.16Å; F126-P132 HydrophobicContact CB-CG 4.39Å; F126-P132 HydrophobicContact CD1-CB 4.28Å; F126-P132 HydrophobicContact CD2-CB 3.59Å; F126-P132 HydrophobicContact CD2-CG 4.14Å; F126-P132 HydrophobicContact CE2-CB 3.97Å; F126-P132 HydrophobicContact CG-CB 3.76Å; F126-P132 HydrophobicContact CG-CG 4.41Å; F126-P132 HydrophobicContact CZ-CB 4.45Å; P132-F134 HydrophobicContact CB-CD2 4.26Å; P132-F134 HydrophobicContact CB-CE2 3.89Å; P132-I163 HydrophobicContact CG-CD1 4.43Å; P132-I163 HydrophobicContact CG-CG2 4.38Å; P132-V184 HydrophobicContact CB-CG1 4.23Å
133V97.1Very high93.6Very high34 Ų3447.1 Ų47.121%0.20627%0.269CS..  trans-10393.3177.21780000109.5F126 F131 A187 R189F126-V133 VanDerWaalsContact CE1-O 3.29Å; F126-V133 WeakPolarHBondContact CE1-O 3.34Å; F131-V133 PolarHBondContact O-N 2.93Å; V133-A187 WeakPolarHBondContact CG1-O 3.46Å; V133-A187 HydrophobicContact CG2-CB 4.32Å; V133-R189 HydrophobicContact CG1-CG 3.78Å
134F98.4Very high93.5Very high1 Ų143.1 Ų43.10%0.00425%0.254CS..  trans-71.8146.5175.7-76.2-98.3000112T38 L122 F126 P132 L137 M180 V184 A188 R189T38-F134 WeakPolarHBondContact OG1-CA 3.44Å; L122-F134 HydrophobicContact CD2-CZ 3.91Å; F126-F134 HydrophobicContact CE2-CD2 4.46Å; F126-F134 HydrophobicContact CE2-CE1 4.17Å; F126-F134 AromaticContact CE2-CE2 3.92Å; F126-F134 HydrophobicContact CE2-CE2 3.92Å; F126-F134 AromaticContact CE2-CZ 3.75Å; F126-F134 HydrophobicContact CE2-CZ 3.75Å; F126-F134 HydrophobicContact CZ-CD1 4.01Å; F126-F134 HydrophobicContact CZ-CD2 4.04Å; F126-F134 AromaticContact CZ-CE1 3.91Å; F126-F134 HydrophobicContact CZ-CE1 3.91Å; F126-F134 AromaticContact CZ-CE2 3.94Å; F126-F134 HydrophobicContact CZ-CE2 3.94Å; F126-F134 HydrophobicContact CZ-CG 4.07Å; F126-F134 AromaticContact CZ-CZ 3.87Å; F126-F134 HydrophobicContact CZ-CZ 3.87Å; P132-F134 HydrophobicContact CB-CD2 4.26Å; P132-F134 HydrophobicContact CB-CE2 3.89Å; F134-L137 HydrophobicContact CB-CD2 3.59Å; F134-L137 HydrophobicContact CB-CG 4.03Å; F134-L137 HydrophobicContact CD1-CD2 3.96Å; F134-L137 HydrophobicContact CD2-CD2 3.87Å; F134-L137 HydrophobicContact CG-CD2 3.54Å; F134-L137 HydrophobicContact CG-CG 4.46Å; F134-M180 HydrophobicContact CD2-CE 4.49Å; F134-M180 HydrophobicContact CE1-CE 4.33Å; F134-M180 HydrophobicContact CE2-CE 3.51Å; F134-M180 HydrophobicContact CE2-SD 4.18Å; F134-M180 HydrophobicContact CZ-CE 3.41Å; F134-M180 VanDerWaalsContact CZ-CE 3.41Å; F134-V184 HydrophobicContact CD2-CG1 4.25Å; F134-V184 HydrophobicContact CE2-CG1 4.16Å; F134-A188 HydrophobicContact CB-CB 4.32Å; F134-A188 WeakPolarHBondContact O-CA 3.4Å; F134-R189 PolarHBondContact O-N 3.33Å
135D98.3Very high93.5Very high10 Ų1035.8 Ų35.85%0.05322%0.22CC..SBendtrans-69.7-39.5173.2-64.9-59.4000111.2A30 H34 F37 T38 R189 C190A30-D135 HydrophobicContact CB-CB 4.16Å; H34-D135 IonicContact CE1-OD1 3.03Å; H34-D135 PolarHBondContact CE1-OD1 2.81Å; H34-D135 IonicContact CE1-OD2 3.88Å; H34-D135 IonicContact NE2-OD1 3.03Å; H34-D135 PolarHBondContact NE2-OD1 3.05Å; H34-D135 IonicContact NE2-OD2 3.13Å; H34-D135 PolarHBondContact NE2-OD2 3.26Å; H34-D135 VanDerWaalsContact NE2-OD2 3.13Å; F37-D135 HydrophobicContact CD2-CB 3.64Å; F37-D135 HydrophobicContact CE2-CB 3.72Å; T38-D135 PolarHBondContact N-OD2 3.37Å; T38-D135 WeakPolarHBondContact O-CB 3.41Å; T38-D135 PolarHBondContact O-N 2.61Å; T38-D135 VanDerWaalsContact O-N 3.11Å; T38-D135 PolarHBondContact OG1-N 2.91Å; T38-D135 PolarHBondContact OG1-OD2 2.99Å; D135-R189 WeakPolarHBondContact OD1-CD 3.26Å; D135-R189 IonicContact OD1-NE 3.16Å; D135-C190 WeakPolarHBondContact O-CB 3.38Å; D135-C190 PolarHBondContact O-N 2.93Å
136L98.8Very high93.6Very high0 Ų035.7 Ų35.70%022%0.218CC..EExtended strand (participates in β ladder)trans-145.6131.1176.2-179.958.6000111.1V23 R26 F37 T38 L39 G40 L138 C190 A192V23-L136 HydrophobicContact CB-CD2 4.41Å; V23-L136 HydrophobicContact CG2-CD2 3.89Å; R26-L136 HydrophobicContact CB-CD2 4.43Å; R26-L136 HydrophobicContact CG-CD2 4.4Å; F37-L136 HydrophobicContact CE2-CB 3.96Å; F37-L136 HydrophobicContact CZ-CB 3.98Å; F37-L136 HydrophobicContact CZ-CD2 4.22Å; T38-L136 PolarHBondContact O-N 3.42Å; T38-L136 VanDerWaalsContact O-N 3.14Å; L39-L136 CarbonylContact C-O 3.44Å; L39-L136 VanDerWaalsContact CA-O 3.31Å; L39-L136 WeakPolarHBondContact CA-O 3.36Å; L39-L136 HydrophobicContact CD1-CB 3.94Å; L39-L136 HydrophobicContact CD1-CD2 3.92Å; L39-L136 HydrophobicContact CD1-CG 3.81Å; G40-L136 PolarHBondContact N-O 2.79Å; L136-L138 HydrophobicContact CD1-CD2 4.02Å; L136-L138 HydrophobicContact CD2-CD2 3.86Å; L136-L138 HydrophobicContact CD2-CG 4.31Å; L136-L138 HydrophobicContact CG-CD2 3.91Å; L136-L138 HydrophobicContact CG-CG 4.26Å; L136-C190 CarbonylContact C-O 3.53Å; L136-C190 VanDerWaalsContact CA-O 3.32Å; L136-C190 WeakPolarHBondContact CA-O 3.46Å; L136-C190 HydrophobicContact CD1-CB 3.92Å; L136-C190 VanDerWaalsContact CD1-SG 3.59Å; L136-A192 HydrophobicContact CD1-CB 4.22Å
137L98.9Very high93.8Very high0 Ų035.1 Ų35.10%022%0.215CC..EExtended strand (participates in β ladder)trans-109.6127.6162.8-59.6-179.9000109.3F134 L139 M180 V185 A188 C190 V191 A192F134-L137 HydrophobicContact CB-CD2 3.59Å; F134-L137 HydrophobicContact CB-CG 4.03Å; F134-L137 HydrophobicContact CD1-CD2 3.96Å; F134-L137 HydrophobicContact CD2-CD2 3.87Å; F134-L137 HydrophobicContact CG-CD2 3.54Å; F134-L137 HydrophobicContact CG-CG 4.46Å; L137-L139 HydrophobicContact CB-CD2 4.38Å; L137-L139 HydrophobicContact CB-CG 4.46Å; L137-M180 HydrophobicContact CD2-SD 4.45Å; L137-V185 HydrophobicContact CD1-CB 4.29Å; L137-V185 HydrophobicContact CD1-CG1 4.28Å; L137-V185 HydrophobicContact CD1-CG2 4.31Å; L137-A188 HydrophobicContact CD1-CB 3.65Å; L137-A188 HydrophobicContact CG-CB 3.75Å; L137-C190 PolarHBondContact N-O 2.7Å; L137-V191 HydrophobicContact CB-CG1 4.47Å; L137-V191 HydrophobicContact CB-CG2 4.25Å; L137-V191 HydrophobicContact CD1-CG2 4.25Å; L137-V191 WeakPolarHBondContact O-CA 3.29Å; L137-A192 PolarHBondContact O-N 2.69Å
138L98.8Very high94.5Very high0 Ų030.8 Ų30.80%019%0.187CC..EExtended strand (participates in β ladder)trans-101.7112.9171.8-61.1-177.8000109.4L19 V23 L39 G40 L41 S42 L46 L50 L136 A192L19-L138 HydrophobicContact CD1-CD1 4.2Å; L19-L138 HydrophobicContact CD1-CD2 3.77Å; V23-L138 HydrophobicContact CG2-CD1 3.84Å; L39-L138 HydrophobicContact CD1-CD1 4.12Å; L39-L138 HydrophobicContact CD1-CG 3.93Å; G40-L138 PolarHBondContact O-N 3.41Å; L41-L138 HydrophobicContact CD2-CD1 4.08Å; S42-L138 WeakPolarHBondContact CB-O 3.34Å; S42-L138 PolarHBondContact N-O 3.11Å; S42-L138 VanDerWaalsContact N-O 3.12Å; S42-L138 PolarHBondContact OG-O 3.31Å; L46-L138 HydrophobicContact CD2-CB 3.8Å; L50-L138 HydrophobicContact CD1-CD1 4.12Å; L50-L138 HydrophobicContact CD2-CD1 3.63Å; L50-L138 HydrophobicContact CG-CD1 4.49Å; L136-L138 HydrophobicContact CD1-CD2 4.02Å; L136-L138 HydrophobicContact CD2-CD2 3.86Å; L136-L138 HydrophobicContact CD2-CG 4.31Å; L136-L138 HydrophobicContact CG-CD2 3.91Å; L136-L138 HydrophobicContact CG-CG 4.26Å; L138-A192 WeakPolarHBondContact CA-O 3.46Å; L138-A192 HydrophobicContact CD2-CB 3.89Å
139L98.7Very high95.4Very high0 Ų026.5 Ų26.50%014%0.143CC..EExtended strand (participates in β ladder)trans-112143.8-174-58.9-175.8000111.4C70 L137 V185 V191 A192 F193 V194 V221C70-L139 HydrophobicContact CB-CD2 3.81Å; C70-L139 VanDerWaalsContact SG-CD2 3.54Å; L137-L139 HydrophobicContact CB-CD2 4.38Å; L137-L139 HydrophobicContact CB-CG 4.46Å; L139-V185 HydrophobicContact CD1-CG1 3.82Å; L139-V191 HydrophobicContact CD1-CG1 3.42Å; L139-V191 VanDerWaalsContact CD1-CG1 3.42Å; L139-V191 HydrophobicContact CG-CG1 3.9Å; L139-A192 PolarHBondContact N-O 2.81Å; L139-F193 HydrophobicContact CB-CD1 3.68Å; L139-F193 HydrophobicContact CB-CE1 3.65Å; L139-F193 HydrophobicContact CB-CG 4.27Å; L139-F193 HydrophobicContact CB-CZ 4.21Å; L139-F193 HydrophobicContact CD1-CE1 4.04Å; L139-F193 HydrophobicContact CD1-CE2 4.17Å; L139-F193 HydrophobicContact CD1-CZ 3.76Å; L139-F193 CarbonylContact O-C 3.53Å; L139-F193 WeakPolarHBondContact O-CA 3.07Å; L139-V194 PolarHBondContact O-N 3.32Å; L139-V221 HydrophobicContact CD1-CG1 4.39Å; L139-V221 HydrophobicContact CD1-CG2 4.46Å
140G96.4Very high96.3Very high23 Ų2320.9 Ų20.924%0.23712%0.117CC..  trans-93.9163.116400000111.4T147G140-T147 PolarHBondContact O-OG1 2.86Å
141M95.7Very high96.9Very high7 Ų713 Ų133%0.0348%0.08CC..  trans-124125.7166.5-170.3-170.874.600109.8H146 F193 K200 V203 L204 V207 A218 W230M141-H146 WeakPolarHBondContact CA-O 3.22Å; M141-F193 HydrophobicContact CB-CD1 4.44Å; M141-K200 HydrophobicContact CE-CB 3.96Å; M141-K200 HydrophobicContact CE-CD 4.46Å; M141-K200 HydrophobicContact CE-CG 4.49Å; M141-K200 WeakPolarHBondContact O-CD 3.42Å; M141-K200 WeakPolarHBondContact O-CE 3.37Å; M141-V203 HydrophobicContact CE-CG1 4.22Å; M141-V203 HydrophobicContact SD-CG1 4.49Å; M141-L204 HydrophobicContact CE-CB 4.02Å; M141-L204 HydrophobicContact CE-CD1 3.84Å; M141-L204 HydrophobicContact SD-CD1 4.07Å; M141-V207 HydrophobicContact SD-CB 4.45Å; M141-V207 HydrophobicContact SD-CG2 3.91Å; M141-A218 HydrophobicContact CG-CB 3.95Å; M141-A218 HydrophobicContact SD-CB 4.1Å; M141-W230 HydrophobicContact CB-CZ3 4.48Å; M141-W230 HydrophobicContact SD-CH2 3.96Å; M141-W230 HydrophobicContact SD-CZ3 3.98Å
142G92.6Very high97Very high8 Ų813.7 Ų13.78%0.0829%0.088CC..  trans-70163.5172.400000112.8D144 G145 H146G142-D144 PolarHBondContact O-N 3.07Å; G142-D144 VanDerWaalsContact O-N 3.1Å; G142-G145 PolarHBondContact O-N 2.73Å; G142-H146 PolarHBondContact N-O 3.46Å
143P91.8Very high97Very high76 Ų7617.3 Ų17.349%0.49413%0.126SC..THydrogen-bonded Turntrans-65.8-9.3176.529.4-37000114.1V203P143-V203 VanDerWaalsContact O-CG2 3.25Å; P143-V203 WeakPolarHBondContact O-CG2 3.41Å
144D93.9Very high97Very high41 Ų4117.1 Ų17.122%0.21912%0.123CC..THydrogen-bonded Turntrans-104.28.8174.256-29.9000112G142 H146 P152 K172 Y216G142-D144 PolarHBondContact O-N 3.07Å; G142-D144 VanDerWaalsContact O-N 3.1Å; D144-H146 VanDerWaalsContact C-N 3.25Å; D144-H146 VanDerWaalsContact CG-ND1 3.28Å; D144-H146 PolarHBondContact O-N 2.95Å; D144-H146 IonicContact OD1-CE1 2.67Å; D144-H146 PolarHBondContact OD1-CE1 3.36Å; D144-H146 IonicContact OD1-CG 3.89Å; D144-H146 IonicContact OD1-ND1 2.89Å; D144-H146 PolarHBondContact OD1-ND1 3.28Å; D144-H146 IonicContact OD2-ND1 3.82Å; D144-H146 PolarHBondContact OD2-ND1 3.16Å; D144-P152 WeakPolarHBondContact O-CG 3.48Å; D144-K172 IonicContact OD1-NZ 2.69Å; D144-K172 PolarHBondContact OD1-NZ 2.88Å; D144-K172 WeakPolarHBondContact OD2-CE 3.48Å; D144-K172 IonicContact OD2-NZ 3.1Å; D144-K172 PolarHBondContact OD2-NZ 3.5Å; D144-K172 VanDerWaalsContact OD2-NZ 3.1Å; D144-Y216 WeakPolarHBondContact O-CD1 3.19Å; D144-Y216 WeakPolarHBondContact O-CE1 3.33Å
145G95.9Very high96.9Very high0 Ų022 Ų220%015%0.154CC..SBendtrans75.77.1175.300000115.1G142 P217 A218G142-G145 PolarHBondContact O-N 2.73Å; G145-P217 WeakPolarHBondContact O-CD 3.18Å; G145-A218 WeakPolarHBondContact O-CB 3.16Å; G145-A218 PolarHBondContact O-N 3.41Å
146H97.3Very high96.8Very high26 Ų2622.4 Ų22.412%0.1216%0.157CC..  trans-67.1152.4170.382.7-97.6000110.8M141 G142 D144 C148 L150 F151 K172M141-H146 WeakPolarHBondContact CA-O 3.22Å; G142-H146 PolarHBondContact N-O 3.46Å; D144-H146 VanDerWaalsContact C-N 3.25Å; D144-H146 VanDerWaalsContact CG-ND1 3.28Å; D144-H146 PolarHBondContact O-N 2.95Å; D144-H146 IonicContact OD1-CE1 2.67Å; D144-H146 PolarHBondContact OD1-CE1 3.36Å; D144-H146 IonicContact OD1-CG 3.89Å; D144-H146 IonicContact OD1-ND1 2.89Å; D144-H146 PolarHBondContact OD1-ND1 3.28Å; D144-H146 IonicContact OD2-ND1 3.82Å; D144-H146 PolarHBondContact OD2-ND1 3.16Å; H146-C148 PolarHBondContact CD2-O 3.38Å; H146-C148 VanDerWaalsContact CD2-O 3.31Å; H146-L150 WeakPolarHBondContact CA-O 3.31Å; H146-L150 WeakPolarHBondContact CB-O 3.43Å; H146-F151 HydrophobicContact CB-CD1 3.62Å; H146-F151 HydrophobicContact CB-CE1 3.99Å; H146-F151 HydrophobicContact CB-CG 4.32Å; H146-F151 AromaticContact CD2-CE1 3.81Å; H146-F151 AromaticContact CE1-CE1 3.96Å; H146-F151 AromaticContact CG-CD1 3.75Å; H146-F151 AromaticContact CG-CE1 3.58Å; H146-F151 AromaticContact ND1-CD1 3.99Å; H146-F151 AromaticContact ND1-CE1 3.66Å; H146-K172 PolarHBondContact CE1-NZ 2.56Å
147T98.1Very high96.7Very high1 Ų122.9 Ų22.91%0.00616%0.159CC..BIsolated β-bridgetrans-136.3152.2169.6-177.80000108.5G140 S149 L150 F193 P217 A218 V221G140-T147 PolarHBondContact O-OG1 2.86Å; T147-S149 PolarHBondContact O-N 3.29Å; T147-L150 PolarHBondContact N-O 2.9Å; T147-L150 WeakPolarHBondContact O-CB 3.29Å; T147-L150 PolarHBondContact O-N 2.79Å; T147-F193 HydrophobicContact CG2-CE1 4.45Å; T147-F193 HydrophobicContact CG2-CZ 4.31Å; T147-F193 WeakPolarHBondContact OG1-CE1 3.44Å; T147-P217 HydrophobicContact CG2-CB 4.48Å; T147-A218 HydrophobicContact CG2-CB 4.39Å; T147-V221 HydrophobicContact CG2-CG2 3.93Å
148C98.3Very high96.6Very high5 Ų529.1 Ų29.13%0.03419%0.188CC..THydrogen-bonded Turntrans50.4-130.9-165.9-49.50000108.2D71 H146 L150 T179D71-C148 HydrophobicContact CB-CB 3.98Å; D71-C148 WeakPolarHBondContact OD1-CA 3.46Å; D71-C148 VanDerWaalsContact OD2-C 3.25Å; H146-C148 PolarHBondContact CD2-O 3.38Å; H146-C148 VanDerWaalsContact CD2-O 3.31Å; C148-L150 HydrophobicContact CB-CG 4.49Å; C148-T179 WeakPolarHBondContact CB-OG1 3.39Å
149S98.3Very high96.6Very high0 Ų031.1 Ų31.10%020%0.198CC..THydrogen-bonded Turntrans-110.631.8163.2-64.50000112.8D71 T147 F151 I167 R177 T179D71-S149 PolarHBondContact OD2-OG 2.81Å; T147-S149 PolarHBondContact O-N 3.29Å; S149-F151 WeakPolarHBondContact O-CD2 3.4Å; S149-F151 VanDerWaalsContact O-CE2 3.31Å; S149-F151 WeakPolarHBondContact O-CE2 3.31Å; S149-F151 PolarHBondContact O-N 2.86Å; S149-I167 VanDerWaalsContact CB-CD1 3.41Å; S149-I167 WeakPolarHBondContact O-CD1 3.23Å; S149-R177 WeakPolarHBondContact OG-CD 3.27Å; S149-R177 PolarHBondContact OG-NH1 2.71Å; S149-T179 PolarHBondContact N-OG1 3.27Å; S149-T179 VanDerWaalsContact N-OG1 3.14Å
150L98.4Very high96.4Very high1 Ų135.8 Ų35.81%0.00523%0.226CC..BIsolated β-bridgetrans-88.6104.6174.5-59174.7000109H146 T147 C148 L156 L157 T179 F182 P217H146-L150 WeakPolarHBondContact CA-O 3.31Å; H146-L150 WeakPolarHBondContact CB-O 3.43Å; T147-L150 PolarHBondContact N-O 2.9Å; T147-L150 WeakPolarHBondContact O-CB 3.29Å; T147-L150 PolarHBondContact O-N 2.79Å; C148-L150 HydrophobicContact CB-CG 4.49Å; L150-L156 HydrophobicContact CD2-CD2 3.83Å; L150-L156 HydrophobicContact CD2-CG 3.83Å; L150-L157 HydrophobicContact CB-CD2 3.77Å; L150-T179 HydrophobicContact CD2-CG2 4.15Å; L150-F182 HydrophobicContact CB-CZ 4.31Å; L150-F182 HydrophobicContact CD1-CD1 3.72Å; L150-F182 HydrophobicContact CD1-CD2 4.14Å; L150-F182 HydrophobicContact CD1-CE1 3.52Å; L150-F182 HydrophobicContact CD1-CE2 3.97Å; L150-F182 HydrophobicContact CD1-CG 4.02Å; L150-F182 HydrophobicContact CD1-CZ 3.65Å; L150-P217 HydrophobicContact CB-CB 4.12Å; L150-P217 WeakPolarHBondContact O-CB 3.14Å; L150-P217 WeakPolarHBondContact O-CG 3.27Å
151F98.2Very high96.4Very high1 Ų142.9 Ų42.90%0.00425%0.251CS..  trans-99.1148.3-172.8-66.2-79.5000113.6H146 S149 G153 H154 L157 S170 P171 K172 P217H146-F151 HydrophobicContact CB-CD1 3.62Å; H146-F151 HydrophobicContact CB-CE1 3.99Å; H146-F151 HydrophobicContact CB-CG 4.32Å; H146-F151 AromaticContact CD2-CE1 3.81Å; H146-F151 AromaticContact CE1-CE1 3.96Å; H146-F151 AromaticContact CG-CD1 3.75Å; H146-F151 AromaticContact CG-CE1 3.58Å; H146-F151 AromaticContact ND1-CD1 3.99Å; H146-F151 AromaticContact ND1-CE1 3.66Å; S149-F151 WeakPolarHBondContact O-CD2 3.4Å; S149-F151 VanDerWaalsContact O-CE2 3.31Å; S149-F151 WeakPolarHBondContact O-CE2 3.31Å; S149-F151 PolarHBondContact O-N 2.86Å; F151-G153 PolarHBondContact O-N 3.07Å; F151-H154 HydrophobicContact CB-CB 4.16Å; F151-H154 VanDerWaalsContact O-CB 3.3Å; F151-H154 WeakPolarHBondContact O-CB 3.25Å; F151-H154 PolarHBondContact O-N 2.8Å; F151-L157 VanDerWaalsContact O-CD1 3.3Å; F151-L157 WeakPolarHBondContact O-CD1 3.41Å; F151-L157 WeakPolarHBondContact O-CG 3.45Å; F151-S170 WeakPolarHBondContact CE2-OG 3.41Å; F151-S170 WeakPolarHBondContact CZ-OG 3.38Å; F151-P171 HydrophobicContact CB-CG 3.87Å; F151-P171 HydrophobicContact CD1-CG 3.66Å; F151-P171 HydrophobicContact CD2-CG 4.09Å; F151-P171 HydrophobicContact CE1-CG 4.22Å; F151-P171 HydrophobicContact CG-CG 3.59Å; F151-K172 HydrophobicContact CE1-CB 4.39Å; F151-K172 HydrophobicContact CE1-CD 3.99Å; F151-K172 HydrophobicContact CE1-CG 4.1Å; F151-K172 HydrophobicContact CZ-CB 4.46Å; F151-P217 VanDerWaalsContact C-CG 3.47Å
152P97.3Very high96.4Very high50 Ų5047.6 Ų47.633%0.32527%0.271SS..THydrogen-bonded Turntrans-53.4133.8175.8-22.229.5000112.4D144 H154 Y216 P217D144-P152 WeakPolarHBondContact O-CG 3.48Å; P152-H154 PolarHBondContact O-N 3.14Å; P152-H154 VanDerWaalsContact O-N 3.14Å; P152-Y216 HydrophobicContact CG-CD1 4.26Å; P152-P217 HydrophobicContact CG-CG 4.24Å
153G95.7Very high96.6Very high80 Ų8047.6 Ų47.683%0.82527%0.269SS*.THydrogen-bonded Turntrans71.5-2.417800000115.7F151F151-G153 PolarHBondContact O-N 3.07Å
154H97.1Very high97Very high29 Ų2944.3 Ų44.313%0.13425%0.247CC..  trans-75.5138.5-179.8-168.3-89000111.3F151 P152 L156 L157 D169F151-H154 HydrophobicContact CB-CB 4.16Å; F151-H154 VanDerWaalsContact O-CB 3.3Å; F151-H154 WeakPolarHBondContact O-CB 3.25Å; F151-H154 PolarHBondContact O-N 2.8Å; P152-H154 PolarHBondContact O-N 3.14Å; P152-H154 VanDerWaalsContact O-N 3.14Å; H154-L156 WeakPolarHBondContact ND1-CB 3.41Å; H154-L156 PolarHBondContact ND1-N 3.21Å; H154-L156 VanDerWaalsContact ND1-N 3.15Å; H154-L156 PolarHBondContact O-N 2.81Å; H154-L157 WeakPolarHBondContact O-CB 3.38Å; H154-L157 WeakPolarHBondContact O-CG 3.47Å; H154-L157 PolarHBondContact O-N 3.11Å; H154-D169 IonicContact NE2-OD1 2.71Å; H154-D169 PolarHBondContact NE2-OD1 2.99Å; H154-D169 IonicContact NE2-OD2 3.57Å
155P96.1Very high97.2Very high103 Ų10342.4 Ų42.467%0.66924%0.238SC*.G310 helixtrans-57-27.3-178.5-2735000114.5L157 E158P155-L157 PolarHBondContact O-N 3.46Å; P155-L157 VanDerWaalsContact O-N 3.12Å; P155-E158 PolarHBondContact O-N 3.29Å; P155-E158 VanDerWaalsContact O-N 3.1Å
156L96.6Very high97.3Very high20 Ų2044.5 Ų44.511%0.10525%0.251CS..G310 helixtrans-59.8-20.9177.8-17557000113.9L150 H154 E158 E159 A165 I167 T179L150-L156 HydrophobicContact CD2-CD2 3.83Å; L150-L156 HydrophobicContact CD2-CG 3.83Å; H154-L156 WeakPolarHBondContact ND1-CB 3.41Å; H154-L156 PolarHBondContact ND1-N 3.21Å; H154-L156 VanDerWaalsContact ND1-N 3.15Å; H154-L156 PolarHBondContact O-N 2.81Å; L156-E158 PolarHBondContact O-N 3.04Å; L156-E158 VanDerWaalsContact O-N 3.15Å; L156-E159 HydrophobicContact CD1-CB 3.77Å; L156-E159 HydrophobicContact CD1-CG 4.23Å; L156-E159 WeakPolarHBondContact O-CB 3.45Å; L156-E159 PolarHBondContact O-N 3Å; L156-E159 VanDerWaalsContact O-N 3.15Å; L156-A165 HydrophobicContact CD1-CB 3.29Å; L156-A165 HydrophobicContact CD2-CB 3.91Å; L156-A165 HydrophobicContact CG-CB 4.23Å; L156-I167 HydrophobicContact CD2-CD1 3.73Å; L156-I167 HydrophobicContact CD2-CG1 3.53Å; L156-T179 HydrophobicContact CD2-CG2 3.55Å
157L97Very high97.3Very high10 Ų1043.3 Ų43.35%0.05225%0.246CC..G310 helixtrans-63.8-16.7176.1-60.1-178000113.5L150 F151 H154 P155 F182 P217 R220L150-L157 HydrophobicContact CB-CD2 3.77Å; F151-L157 VanDerWaalsContact O-CD1 3.3Å; F151-L157 WeakPolarHBondContact O-CD1 3.41Å; F151-L157 WeakPolarHBondContact O-CG 3.45Å; H154-L157 WeakPolarHBondContact O-CB 3.38Å; H154-L157 WeakPolarHBondContact O-CG 3.47Å; H154-L157 PolarHBondContact O-N 3.11Å; P155-L157 PolarHBondContact O-N 3.46Å; P155-L157 VanDerWaalsContact O-N 3.12Å; L157-F182 HydrophobicContact CB-CE2 4.28Å; L157-F182 HydrophobicContact CD2-CE2 3.67Å; L157-F182 HydrophobicContact CD2-CZ 3.94Å; L157-P217 HydrophobicContact CD1-CG 4.07Å; L157-P217 HydrophobicContact CD2-CB 3.85Å; L157-P217 HydrophobicContact CD2-CG 3.68Å; L157-R220 PolarHBondContact O-NH1 2.87Å
158E97.1Very high97.2Very high130 Ų13047 Ų4761%0.60727%0.271SS*.G310 helixtrans-96.21.4179.8-52.8-53.9129.300112.8P155 L156 T160 R220P155-E158 PolarHBondContact O-N 3.29Å; P155-E158 VanDerWaalsContact O-N 3.1Å; L156-E158 PolarHBondContact O-N 3.04Å; L156-E158 VanDerWaalsContact O-N 3.15Å; E158-T160 PolarHBondContact O-N 3.49Å; E158-R220 IonicContact OE1-CZ 3.15Å; E158-R220 IonicContact OE1-NH1 2.71Å; E158-R220 PolarHBondContact OE1-NH1 3.03Å; E158-R220 IonicContact OE1-NH2 2.81Å
159E97.4Very high97.2Very high43 Ų4351.3 Ų51.320%0.20129%0.294CS..  trans-71.3127.5175.6177.458.1-103.900111.3L156 K161 K162 T181L156-E159 HydrophobicContact CD1-CB 3.77Å; L156-E159 HydrophobicContact CD1-CG 4.23Å; L156-E159 WeakPolarHBondContact O-CB 3.45Å; L156-E159 PolarHBondContact O-N 3Å; L156-E159 VanDerWaalsContact O-N 3.15Å; E159-K161 WeakPolarHBondContact OE1-CA 3.49Å; E159-K161 PolarHBondContact OE1-N 3.35Å; E159-K162 HydrophobicContact CG-CB 3.89Å; E159-K162 HydrophobicContact CG-CG 4.35Å; E159-K162 PolarHBondContact OE1-N 2.97Å; E159-K162 WeakPolarHBondContact OE2-CD 3.48Å; E159-K162 WeakPolarHBondContact OE2-CG 3.49Å; E159-T181 HydrophobicContact CG-CG2 3.87Å
160T96Very high97.1Very high97 Ų9751.9 Ų51.960%0.59530%0.298SS*.  trans-127.6-4.5-172.349.30000113.7E158 P183E158-T160 PolarHBondContact O-N 3.49Å; T160-P183 VanDerWaalsContact C-CG 3.49Å; T160-P183 WeakPolarHBondContact O-CG 3.42Å
161K95.7Very high96.9Very high173 Ų17356.2 Ų56.275%0.75233%0.326SS*.SBendtrans-122.1-38.3-171.3-61.1-177.9-179.7179.70113.5F131 E159F131-K161 WeakPolarHBondContact CE1-O 3.36Å; E159-K161 WeakPolarHBondContact OE1-CA 3.49Å; E159-K161 PolarHBondContact OE1-N 3.35Å
162K96.7Very high96.8Very high105 Ų10558.9 Ų58.946%0.45734%0.338SS..  trans-73146.5-179.7-67-175.6-177.8-174.80110.6E159 T181E159-K162 HydrophobicContact CG-CB 3.89Å; E159-K162 HydrophobicContact CG-CG 4.35Å; E159-K162 PolarHBondContact OE1-N 2.97Å; E159-K162 WeakPolarHBondContact OE2-CD 3.48Å; E159-K162 WeakPolarHBondContact OE2-CG 3.49Å; K162-T181 HydrophobicContact CB-CG2 4.35Å; K162-T181 WeakPolarHBondContact O-CB 3.46Å; K162-T181 WeakPolarHBondContact O-CG2 3.24Å; K162-T181 PolarHBondContact O-OG1 3.08Å
163I96.8Very high96.6Very high8 Ų861.7 Ų61.74%0.04136%0.356CS..SBendtrans-82-36.517254.8161.9000112A119 L122 K123 F131 P132 T181 V184A119-I163 VanDerWaalsContact CA-CD1 3.4Å; A119-I163 HydrophobicContact CB-CD1 3.52Å; A119-I163 HydrophobicContact CB-CG1 3.6Å; A119-I163 WeakPolarHBondContact O-CD1 3.48Å; L122-I163 HydrophobicContact CB-CD1 4.2Å; K123-I163 HydrophobicContact CD-CD1 4.22Å; K123-I163 HydrophobicContact CG-CD1 3.73Å; F131-I163 HydrophobicContact CD1-CG2 3.74Å; F131-I163 HydrophobicContact CE1-CG2 4.36Å; P132-I163 HydrophobicContact CG-CD1 4.43Å; P132-I163 HydrophobicContact CG-CG2 4.38Å; I163-T181 PolarHBondContact O-N 3.02Å; I163-T181 PolarHBondContact O-OG1 2.95Å; I163-V184 VanDerWaalsContact CA-CG2 3.49Å; I163-V184 HydrophobicContact CB-CG2 3.66Å; I163-V184 HydrophobicContact CG2-CG2 3.94Å; I163-V184 WeakPolarHBondContact O-CG2 3.38Å
164V98.5Very high96.6Very high7 Ų759 Ų594%0.04232%0.324CS..EExtended strand (participates in β ladder)trans-135.6142.3-179.6175.40000106.9A115 Y118 A119 L122 V178 T179A115-V164 HydrophobicContact CB-CG1 3.98Å; Y118-V164 HydrophobicContact CD1-CB 4.46Å; Y118-V164 HydrophobicContact CD1-CG1 3.88Å; Y118-V164 HydrophobicContact CD1-CG2 3.73Å; Y118-V164 HydrophobicContact CE1-CG2 4.16Å; A119-V164 HydrophobicContact CB-CB 4.15Å; A119-V164 HydrophobicContact CB-CG2 4.37Å; L122-V164 HydrophobicContact CD1-CG2 3.68Å; V164-V178 HydrophobicContact CG1-CG1 3.27Å; V164-T179 CarbonylContact C-O 3.59Å; V164-T179 VanDerWaalsContact CA-O 3.24Å; V164-T179 WeakPolarHBondContact CA-O 3.21Å
165A98.5Very high96.6Very high2 Ų261 Ų612%0.01734%0.34CS..EExtended strand (participates in β ladder)trans-129.9146.8176.300000111.9L156 T179 T181L156-A165 HydrophobicContact CD1-CB 3.29Å; L156-A165 HydrophobicContact CD2-CB 3.91Å; L156-A165 HydrophobicContact CG-CB 4.23Å; A165-T179 PolarHBondContact N-O 2.85Å; A165-T179 PolarHBondContact O-N 2.99Å; A165-T181 HydrophobicContact CB-CG2 3.85Å
166P98.4Very high96.7Very high43 Ų4360 Ų6028%0.27933%0.326SS..EExtended strand (participates in β ladder)trans-77.8151.9167.434.2-34.8000110.7V111 A115V111-P166 HydrophobicContact CB-CB 4.44Å; V111-P166 HydrophobicContact CG1-CB 4.2Å; V111-P166 HydrophobicContact CG2-CB 3.82Å; V111-P166 WeakPolarHBondContact O-CB 3.26Å; A115-P166 HydrophobicContact CB-CB 3.94Å; A115-P166 HydrophobicContact CB-CG 4.27Å
167I97.4Very high96.8Very high2 Ų259.2 Ų59.21%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-130.6125.4167.3-59.2169.3000106.4S149 L156 Q176 R177 T179S149-I167 VanDerWaalsContact CB-CD1 3.41Å; S149-I167 WeakPolarHBondContact O-CD1 3.23Å; L156-I167 HydrophobicContact CD2-CD1 3.73Å; L156-I167 HydrophobicContact CD2-CG1 3.53Å; I167-Q176 CarbonylContact O-C 3.57Å; I167-Q176 VanDerWaalsContact O-CA 3.24Å; I167-Q176 WeakPolarHBondContact O-CA 3.42Å; I167-R177 HydrophobicContact CB-CB 4.24Å; I167-R177 HydrophobicContact CD1-CB 4.45Å; I167-R177 PolarHBondContact N-O 2.82Å; I167-R177 PolarHBondContact O-N 2.87Å; I167-T179 HydrophobicContact CD1-CG2 3.75Å; I167-T179 HydrophobicContact CG1-CG2 4.26Å
168S96.8Very high96.8Very high77 Ų7758.8 Ų58.854%0.53832%0.32SS..SBendtrans-104.9-11.8178.546.30000113.4P175S168-P175 CarbonylContact C-O 3.34Å
169D96.7Very high96.9Very high97 Ų9752.6 Ų52.652%0.51929%0.291SS..  trans-136.337-164.559-33.9000111.2H154 P175H154-D169 IonicContact NE2-OD1 2.71Å; H154-D169 PolarHBondContact NE2-OD1 2.99Å; H154-D169 IonicContact NE2-OD2 3.57Å; D169-P175 PolarHBondContact N-O 2.86Å
170S96.9Very high97Very high11 Ų1150.6 Ų50.68%0.07728%0.281CS..  trans-52.8130.5175.1163.40000109.8F151 K172 P175 R177F151-S170 WeakPolarHBondContact CE2-OG 3.41Å; F151-S170 WeakPolarHBondContact CZ-OG 3.38Å; S170-K172 WeakPolarHBondContact CB-O 3.47Å; S170-K172 PolarHBondContact O-N 2.83Å; S170-K172 PolarHBondContact OG-N 3.1Å; S170-K172 PolarHBondContact OG-O 3.28Å; S170-P175 VanDerWaalsContact CB-O 3.24Å; S170-P175 WeakPolarHBondContact CB-O 3.42Å; S170-P175 PolarHBondContact N-O 3.13Å; S170-R177 PolarHBondContact OG-NE 2.99Å
171P95.2Very high97.1Very high93 Ų9346 Ų4660%0.60425%0.253SS*.SBendtrans-68.2-5.317830.7-36.3000112.4F151F151-P171 HydrophobicContact CB-CG 3.87Å; F151-P171 HydrophobicContact CD1-CG 3.66Å; F151-P171 HydrophobicContact CD2-CG 4.09Å; F151-P171 HydrophobicContact CE1-CG 4.22Å; F151-P171 HydrophobicContact CG-CG 3.59Å
172K94.4Very high97.3Very high56 Ų5638.6 Ų38.624%0.24322%0.221CC..SBendtrans-118.6138.2173.6-64.8-170.2172.3176.40110.6D144 H146 F151 S170 P174D144-K172 IonicContact OD1-NZ 2.69Å; D144-K172 PolarHBondContact OD1-NZ 2.88Å; D144-K172 WeakPolarHBondContact OD2-CE 3.48Å; D144-K172 IonicContact OD2-NZ 3.1Å; D144-K172 PolarHBondContact OD2-NZ 3.5Å; D144-K172 VanDerWaalsContact OD2-NZ 3.1Å; H146-K172 PolarHBondContact CE1-NZ 2.56Å; F151-K172 HydrophobicContact CE1-CB 4.39Å; F151-K172 HydrophobicContact CE1-CD 3.99Å; F151-K172 HydrophobicContact CE1-CG 4.1Å; F151-K172 HydrophobicContact CZ-CB 4.46Å; S170-K172 WeakPolarHBondContact CB-O 3.47Å; S170-K172 PolarHBondContact O-N 2.83Å; S170-K172 PolarHBondContact OG-N 3.1Å; S170-K172 PolarHBondContact OG-O 3.28Å; K172-P174 CarbonylContact O-C 3.43Å
173P93.3Very high97.3Very high109 Ų10934.7 Ų34.771%0.70821%0.206SC*.SBendtrans-64.1152.9173.429-34.9000111.1R177P173-R177 PolarHBondContact O-NH2 2.94Å
174P96Very high97.4Very high25 Ų2534.3 Ų34.316%0.16220%0.204CC..SBendcis-66152.6-19.729.5-34.2000111.6R73 V75 K172 Q176 R177R73-P174 HydrophobicContact CB-CG 3.67Å; R73-P174 HydrophobicContact CG-CG 3.74Å; V75-P174 HydrophobicContact CG1-CB 4.13Å; V75-P174 HydrophobicContact CG1-CG 3.9Å; K172-P174 CarbonylContact O-C 3.43Å; P174-Q176 PolarHBondContact O-N 3.45Å; P174-R177 PolarHBondContact O-NE 3.41Å; P174-R177 VanDerWaalsContact O-NE 3.09Å
175P96.6Very high97.4Very high71 Ų7134 Ų3446%0.46120%0.202SC..  trans-72.4-28.9-171.928.9-35.4000113.3S168 D169 S170S168-P175 CarbonylContact C-O 3.34Å; D169-P175 PolarHBondContact N-O 2.86Å; S170-P175 VanDerWaalsContact CB-O 3.24Å; S170-P175 WeakPolarHBondContact CB-O 3.42Å; S170-P175 PolarHBondContact N-O 3.13Å
176Q98.4Very high97.3Very high81 Ų8135.1 Ų35.138%0.37921%0.208SC..  trans-93.3124.5-177.5-67.7-173-5200111.8L74 V111 I167 P174L74-Q176 HydrophobicContact CB-CB 3.94Å; L74-Q176 HydrophobicContact CD2-CB 4.26Å; L74-Q176 PolarHBondContact N-O 2.93Å; V111-Q176 HydrophobicContact CG2-CB 4.35Å; I167-Q176 CarbonylContact O-C 3.57Å; I167-Q176 VanDerWaalsContact O-CA 3.24Å; I167-Q176 WeakPolarHBondContact O-CA 3.42Å; P174-Q176 PolarHBondContact O-N 3.45Å
177R98.5Very high97.3Very high4 Ų434.5 Ų34.52%0.01521%0.207CC..EExtended strand (participates in β ladder)trans-145.9153.5-175.4-53.6-178.1170.9-125.6-2.4110.8E72 R73 V111 S149 I167 S170 P173 P174E72-R177 CarbonylContact O-C 3.57Å; E72-R177 VanDerWaalsContact O-CA 3.23Å; E72-R177 WeakPolarHBondContact O-CA 3.03Å; E72-R177 WeakPolarHBondContact O-CB 3.47Å; R73-R177 VanDerWaalsContact NE-NH1 3.19Å; V111-R177 WeakPolarHBondContact CG2-O 3.32Å; S149-R177 WeakPolarHBondContact OG-CD 3.27Å; S149-R177 PolarHBondContact OG-NH1 2.71Å; I167-R177 HydrophobicContact CB-CB 4.24Å; I167-R177 HydrophobicContact CD1-CB 4.45Å; I167-R177 PolarHBondContact N-O 2.82Å; I167-R177 PolarHBondContact O-N 2.87Å; S170-R177 PolarHBondContact OG-NE 2.99Å; P173-R177 PolarHBondContact O-NH2 2.94Å; P174-R177 PolarHBondContact O-NE 3.41Å; P174-R177 VanDerWaalsContact O-NE 3.09Å
178V98.7Very high97.3Very high1 Ų134.5 Ų34.51%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-116.5132170.5176.20000107.2D71 E72 I105 V111 C114 A115 Y118 V164D71-V178 CarbonylContact C-O 3.59Å; D71-V178 WeakPolarHBondContact CA-O 3.26Å; E72-V178 PolarHBondContact N-O 2.95Å; E72-V178 PolarHBondContact O-N 2.71Å; I105-V178 HydrophobicContact CG2-CB 4.18Å; I105-V178 HydrophobicContact CG2-CG1 4.09Å; V111-V178 HydrophobicContact CG2-CG2 4.29Å; C114-V178 HydrophobicContact CB-CG2 4.14Å; A115-V178 HydrophobicContact CB-CG1 4.09Å; A115-V178 HydrophobicContact CB-CG2 4.33Å; Y118-V178 HydrophobicContact CD1-CG1 3.98Å; V164-V178 HydrophobicContact CG1-CG1 3.27Å
179T98.8Very high97.3Very high0 Ų037.4 Ų37.40%021%0.206CC..EExtended strand (participates in β ladder)trans-138.6143.5-174.4-170.60000112.2C148 S149 L150 L156 V164 A165 I167C148-T179 WeakPolarHBondContact CB-OG1 3.39Å; S149-T179 PolarHBondContact N-OG1 3.27Å; S149-T179 VanDerWaalsContact N-OG1 3.14Å; L150-T179 HydrophobicContact CD2-CG2 4.15Å; L156-T179 HydrophobicContact CD2-CG2 3.55Å; V164-T179 CarbonylContact C-O 3.59Å; V164-T179 VanDerWaalsContact CA-O 3.24Å; V164-T179 WeakPolarHBondContact CA-O 3.21Å; A165-T179 PolarHBondContact N-O 2.85Å; A165-T179 PolarHBondContact O-N 2.99Å; I167-T179 HydrophobicContact CD1-CG2 3.75Å; I167-T179 HydrophobicContact CG1-CG2 4.26Å
180M98.8Very high97.3Very high0 Ų032.9 Ų32.90%018%0.182CC..EExtended strand (participates in β ladder)trans-63.2142.8159-67.5-177.2179.700109.3F69 C70 L122 F134 L137 V184 V185F69-M180 WeakPolarHBondContact O-CE 3.19Å; C70-M180 WeakPolarHBondContact O-CB 3.43Å; C70-M180 PolarHBondContact O-N 3.19Å; L122-M180 HydrophobicContact CD1-CE 3.89Å; L122-M180 HydrophobicContact CD2-CE 4.39Å; F134-M180 HydrophobicContact CD2-CE 4.49Å; F134-M180 HydrophobicContact CE1-CE 4.33Å; F134-M180 HydrophobicContact CE2-CE 3.51Å; F134-M180 HydrophobicContact CE2-SD 4.18Å; F134-M180 HydrophobicContact CZ-CE 3.41Å; F134-M180 VanDerWaalsContact CZ-CE 3.41Å; L137-M180 HydrophobicContact CD2-SD 4.45Å; M180-V184 HydrophobicContact CB-CB 4.39Å; M180-V184 HydrophobicContact CB-CG1 4.45Å; M180-V184 HydrophobicContact CG-CG1 4.3Å; M180-V184 HydrophobicContact SD-CG1 3.82Å; M180-V185 HydrophobicContact CB-CG2 4.3Å
181T98.6Very high97.4Very high1 Ų132.3 Ų32.31%0.00618%0.178CC..  trans-92.7169.7178.961.40000110.7E159 K162 I163 A165 P183 V184 V185E159-T181 HydrophobicContact CG-CG2 3.87Å; K162-T181 HydrophobicContact CB-CG2 4.35Å; K162-T181 WeakPolarHBondContact O-CB 3.46Å; K162-T181 WeakPolarHBondContact O-CG2 3.24Å; K162-T181 PolarHBondContact O-OG1 3.08Å; I163-T181 PolarHBondContact O-N 3.02Å; I163-T181 PolarHBondContact O-OG1 2.95Å; A165-T181 HydrophobicContact CB-CG2 3.85Å; T181-P183 WeakPolarHBondContact OG1-CD 3.35Å; T181-V184 PolarHBondContact O-N 3.44Å; T181-V185 WeakPolarHBondContact O-CG2 3.42Å; T181-V185 PolarHBondContact O-N 3.23Å; T181-V185 VanDerWaalsContact O-N 3.09Å
182F98.4Very high97.6Very high17 Ų1727.9 Ų27.98%0.07515%0.149CC..Hα-helixtrans-56.7-38.7176.6-71.8-54.9000114.7L150 L157 V184 V185 N186 P217 R220 V221L150-F182 HydrophobicContact CB-CZ 4.31Å; L150-F182 HydrophobicContact CD1-CD1 3.72Å; L150-F182 HydrophobicContact CD1-CD2 4.14Å; L150-F182 HydrophobicContact CD1-CE1 3.52Å; L150-F182 HydrophobicContact CD1-CE2 3.97Å; L150-F182 HydrophobicContact CD1-CG 4.02Å; L150-F182 HydrophobicContact CD1-CZ 3.65Å; L157-F182 HydrophobicContact CB-CE2 4.28Å; L157-F182 HydrophobicContact CD2-CE2 3.67Å; L157-F182 HydrophobicContact CD2-CZ 3.94Å; F182-V184 VanDerWaalsContact C-N 3.28Å; F182-V184 PolarHBondContact O-N 3.25Å; F182-V185 PolarHBondContact O-N 3.02Å; F182-N186 VanDerWaalsContact O-CB 3.28Å; F182-N186 WeakPolarHBondContact O-CB 3.23Å; F182-N186 PolarHBondContact O-N 3.2Å; F182-P217 WeakPolarHBondContact CE1-O 3.29Å; F182-P217 HydrophobicContact CZ-CB 4.03Å; F182-P217 WeakPolarHBondContact CZ-O 3.32Å; F182-R220 HydrophobicContact CD1-CB 4.38Å; F182-R220 HydrophobicContact CE1-CB 3.81Å; F182-R220 HydrophobicContact CE2-CB 4.11Å; F182-R220 HydrophobicContact CZ-CB 3.66Å; F182-R220 HydrophobicContact CZ-CG 4.29Å; F182-V221 HydrophobicContact CD1-CG2 4.31Å; F182-V221 HydrophobicContact CE1-CG2 4.01Å
183P97.8Very high97.8Very high23 Ų2325.2 Ų25.215%0.14914%0.138CC..Hα-helixtrans-50.6-44.5173.5-31.533.8000114.3F131 T160 T181 A187F131-P183 HydrophobicContact CD1-CB 3.46Å; F131-P183 VanDerWaalsContact CD1-CB 3.46Å; F131-P183 HydrophobicContact CD2-CB 4.3Å; F131-P183 HydrophobicContact CE1-CB 3.24Å; F131-P183 HydrophobicContact CE1-CG 4.07Å; F131-P183 HydrophobicContact CE2-CB 4.1Å; F131-P183 HydrophobicContact CG-CB 4.02Å; F131-P183 HydrophobicContact CZ-CB 3.6Å; F131-P183 HydrophobicContact CZ-CG 4.27Å; T160-P183 VanDerWaalsContact C-CG 3.49Å; T160-P183 WeakPolarHBondContact O-CG 3.42Å; T181-P183 WeakPolarHBondContact OG1-CD 3.35Å; P183-A187 WeakPolarHBondContact O-CB 3.35Å; P183-A187 PolarHBondContact O-N 3.39Å; P183-A187 VanDerWaalsContact O-N 3.14Å
184V98.1Very high98Very high0 Ų020.5 Ų20.50%011%0.107CC..Hα-helixtrans-72.6-46.7177.7179.90000111.2F131 P132 F134 I163 M180 T181 F182 N186 A187 A188F131-V184 HydrophobicContact CD1-CG2 4.38Å; P132-V184 HydrophobicContact CB-CG1 4.23Å; F134-V184 HydrophobicContact CD2-CG1 4.25Å; F134-V184 HydrophobicContact CE2-CG1 4.16Å; I163-V184 VanDerWaalsContact CA-CG2 3.49Å; I163-V184 HydrophobicContact CB-CG2 3.66Å; I163-V184 HydrophobicContact CG2-CG2 3.94Å; I163-V184 WeakPolarHBondContact O-CG2 3.38Å; M180-V184 HydrophobicContact CB-CB 4.39Å; M180-V184 HydrophobicContact CB-CG1 4.45Å; M180-V184 HydrophobicContact CG-CG1 4.3Å; M180-V184 HydrophobicContact SD-CG1 3.82Å; T181-V184 PolarHBondContact O-N 3.44Å; F182-V184 VanDerWaalsContact C-N 3.28Å; F182-V184 PolarHBondContact O-N 3.25Å; V184-N186 VanDerWaalsContact C-N 3.27Å; V184-N186 PolarHBondContact O-N 3.16Å; V184-A187 PolarHBondContact O-N 2.94Å; V184-A187 VanDerWaalsContact O-N 3.12Å; V184-A188 PolarHBondContact O-N 2.9Å
185V98.4Very high98Very high0 Ų019.3 Ų19.30%010%0.099CC..Hα-helixtrans-59.4-41.6-178.5175.10000111.3L137 L139 M180 T181 F182 V191 V221L137-V185 HydrophobicContact CD1-CB 4.29Å; L137-V185 HydrophobicContact CD1-CG1 4.28Å; L137-V185 HydrophobicContact CD1-CG2 4.31Å; L139-V185 HydrophobicContact CD1-CG1 3.82Å; M180-V185 HydrophobicContact CB-CG2 4.3Å; T181-V185 WeakPolarHBondContact O-CG2 3.42Å; T181-V185 PolarHBondContact O-N 3.23Å; T181-V185 VanDerWaalsContact O-N 3.09Å; F182-V185 PolarHBondContact O-N 3.02Å; V185-V191 WeakPolarHBondContact O-CG2 3.48Å; V185-V221 HydrophobicContact CG1-CB 4.41Å; V185-V221 HydrophobicContact CG1-CG1 3.77Å; V185-V221 HydrophobicContact CG1-CG2 3.81Å
186N97.8Very high97.9Very high27 Ų2717 Ų1714%0.1448%0.084CC..THydrogen-bonded Turntrans-85.5-5.4-179.1-68.1-25.5000113.8F182 V184 R220 V221 A222 P223 T224F182-N186 VanDerWaalsContact O-CB 3.28Å; F182-N186 WeakPolarHBondContact O-CB 3.23Å; F182-N186 PolarHBondContact O-N 3.2Å; V184-N186 VanDerWaalsContact C-N 3.27Å; V184-N186 PolarHBondContact O-N 3.16Å; N186-R220 PolarHBondContact ND2-O 2.8Å; N186-R220 VanDerWaalsContact ND2-O 3.16Å; N186-V221 WeakPolarHBondContact OD1-CA 3.48Å; N186-A222 PolarHBondContact OD1-N 2.89Å; N186-P223 CarbonylContact O-C 3.56Å; N186-P223 WeakPolarHBondContact O-CA 3.11Å; N186-T224 PolarHBondContact O-N 3.41Å
187A96.9Very high97.7Very high30 Ų3014.3 Ų14.325%0.2488%0.078CC..THydrogen-bonded Turntrans-84.8-19.3170.300000112.7F131 V133 P183 V184F131-A187 HydrophobicContact CB-CB 4.14Å; V133-A187 WeakPolarHBondContact CG1-O 3.46Å; V133-A187 HydrophobicContact CG2-CB 4.32Å; P183-A187 WeakPolarHBondContact O-CB 3.35Å; P183-A187 PolarHBondContact O-N 3.39Å; P183-A187 VanDerWaalsContact O-N 3.14Å; V184-A187 PolarHBondContact O-N 2.94Å; V184-A187 VanDerWaalsContact O-N 3.12Å
188A97.5Very high97.5Very high1 Ų116.2 Ų16.21%0.00810%0.098CC..SBendtrans-60.6146.5-176.300000113.8F134 L137 V184 C190 V191F134-A188 HydrophobicContact CB-CB 4.32Å; F134-A188 WeakPolarHBondContact O-CA 3.4Å; L137-A188 HydrophobicContact CD1-CB 3.65Å; L137-A188 HydrophobicContact CG-CB 3.75Å; V184-A188 PolarHBondContact O-N 2.9Å; A188-C190 VanDerWaalsContact C-N 3.31Å; A188-C190 PolarHBondContact O-N 2.79Å; A188-V191 HydrophobicContact CB-CG2 3.87Å
189R97Very high97.2Very high139 Ų13921 Ų2153%0.52513%0.132SC..SBendtrans-68.1-31.5176.4-61.1-176.3-179-82.9-3.1112.1V133 F134 D135 G226 E227V133-R189 HydrophobicContact CG1-CG 3.78Å; F134-R189 PolarHBondContact O-N 3.33Å; D135-R189 WeakPolarHBondContact OD1-CD 3.26Å; D135-R189 IonicContact OD1-NE 3.16Å; R189-G226 CarbonylContact O-C 3.57Å; R189-G226 WeakPolarHBondContact O-CA 3.47Å; R189-E227 PolarHBondContact O-N 3.2Å
190C98.1Very high96.8Very high1 Ų122.3 Ų22.31%0.00714%0.138CC..EExtended strand (participates in β ladder)trans-147133.2175.5-175.60000109.4D135 L136 L137 A188 E227D135-C190 WeakPolarHBondContact O-CB 3.38Å; D135-C190 PolarHBondContact O-N 2.93Å; L136-C190 CarbonylContact C-O 3.53Å; L136-C190 VanDerWaalsContact CA-O 3.32Å; L136-C190 WeakPolarHBondContact CA-O 3.46Å; L136-C190 HydrophobicContact CD1-CB 3.92Å; L136-C190 VanDerWaalsContact CD1-SG 3.59Å; L137-C190 PolarHBondContact N-O 2.7Å; A188-C190 VanDerWaalsContact C-N 3.31Å; A188-C190 PolarHBondContact O-N 2.79Å; C190-E227 WeakPolarHBondContact CA-O 3.16Å
191V98.7Very high96.7Very high0 Ų022.7 Ų22.70%014%0.141CC..EExtended strand (participates in β ladder)trans-120.2128.4168.5-178.80000108.1L137 L139 V185 A188 F193 V221 P223 E227 L228 F229L137-V191 HydrophobicContact CB-CG1 4.47Å; L137-V191 HydrophobicContact CB-CG2 4.25Å; L137-V191 HydrophobicContact CD1-CG2 4.25Å; L137-V191 WeakPolarHBondContact O-CA 3.29Å; L139-V191 HydrophobicContact CD1-CG1 3.42Å; L139-V191 VanDerWaalsContact CD1-CG1 3.42Å; L139-V191 HydrophobicContact CG-CG1 3.9Å; V185-V191 WeakPolarHBondContact O-CG2 3.48Å; A188-V191 HydrophobicContact CB-CG2 3.87Å; V191-F193 HydrophobicContact CG1-CE2 4.4Å; V191-V221 HydrophobicContact CB-CG1 4.45Å; V191-V221 HydrophobicContact CG1-CG1 3.9Å; V191-P223 HydrophobicContact CB-CG 3.91Å; V191-P223 HydrophobicContact CG2-CG 3.51Å; V191-E227 PolarHBondContact N-O 2.93Å; V191-L228 HydrophobicContact CB-CD1 3.98Å; V191-L228 HydrophobicContact CG1-CD1 4.04Å; V191-L228 CarbonylContact O-C 3.52Å; V191-L228 WeakPolarHBondContact O-CA 2.87Å; V191-F229 PolarHBondContact O-N 3.01Å
192A98.5Very high96.6Very high0 Ų027.3 Ų27.30%017%0.17CC..EExtended strand (participates in β ladder)trans-122112.717500000109.8L22 L136 L137 L138 L139 F229L22-A192 HydrophobicContact CD2-CB 4.03Å; L136-A192 HydrophobicContact CD1-CB 4.22Å; L137-A192 PolarHBondContact O-N 2.69Å; L138-A192 WeakPolarHBondContact CA-O 3.46Å; L138-A192 HydrophobicContact CD2-CB 3.89Å; L139-A192 PolarHBondContact N-O 2.81Å; A192-F229 CarbonylContact C-O 3.5Å; A192-F229 WeakPolarHBondContact CA-O 3.24Å; A192-F229 HydrophobicContact CB-CB 4.02Å
193F98.6Very high96.5Very high0 Ų027.3 Ų27.30%017%0.171CC..EExtended strand (participates in β ladder)trans-75.2133.1165.2-80.1-81.4000110.1L139 M141 T147 V191 A218 V221 L228 F229 W230 L231L139-F193 HydrophobicContact CB-CD1 3.68Å; L139-F193 HydrophobicContact CB-CE1 3.65Å; L139-F193 HydrophobicContact CB-CG 4.27Å; L139-F193 HydrophobicContact CB-CZ 4.21Å; L139-F193 HydrophobicContact CD1-CE1 4.04Å; L139-F193 HydrophobicContact CD1-CE2 4.17Å; L139-F193 HydrophobicContact CD1-CZ 3.76Å; L139-F193 CarbonylContact O-C 3.53Å; L139-F193 WeakPolarHBondContact O-CA 3.07Å; M141-F193 HydrophobicContact CB-CD1 4.44Å; T147-F193 HydrophobicContact CG2-CE1 4.45Å; T147-F193 HydrophobicContact CG2-CZ 4.31Å; T147-F193 WeakPolarHBondContact OG1-CE1 3.44Å; V191-F193 HydrophobicContact CG1-CE2 4.4Å; F193-A218 HydrophobicContact CE1-CB 4.03Å; F193-A218 HydrophobicContact CZ-CB 3.98Å; F193-V221 HydrophobicContact CE2-CB 3.74Å; F193-V221 HydrophobicContact CE2-CG1 3.68Å; F193-V221 HydrophobicContact CE2-CG2 4.16Å; F193-V221 HydrophobicContact CZ-CB 3.89Å; F193-V221 HydrophobicContact CZ-CG1 4.14Å; F193-V221 HydrophobicContact CZ-CG2 3.79Å; F193-L228 HydrophobicContact CD2-CD1 3.92Å; F193-L228 HydrophobicContact CE2-CD1 4.07Å; F193-F229 PolarHBondContact N-O 2.95Å; F193-W230 HydrophobicContact CB-CD2 3.72Å; F193-W230 HydrophobicContact CB-CE3 3.4Å; F193-W230 HydrophobicContact CB-CG 4.37Å; F193-W230 HydrophobicContact CB-CH2 4.13Å; F193-W230 HydrophobicContact CB-CZ2 4.4Å; F193-W230 HydrophobicContact CB-CZ3 3.63Å; F193-W230 AromaticContact CD1-CH2 3.77Å; F193-W230 HydrophobicContact CD1-CH2 3.77Å; F193-W230 HydrophobicContact CD1-CZ2 4.31Å; F193-W230 AromaticContact CD1-CZ3 3.88Å; F193-W230 HydrophobicContact CD1-CZ3 3.88Å; F193-W230 AromaticContact CD2-CD2 3.95Å; F193-W230 HydrophobicContact CD2-CD2 3.95Å; F193-W230 AromaticContact CD2-CE2 3.5Å; F193-W230 VanDerWaalsContact CD2-CE2 3.5Å; F193-W230 HydrophobicContact CD2-CE3 4.22Å; F193-W230 AromaticContact CD2-CH2 3.73Å; F193-W230 HydrophobicContact CD2-CH2 3.73Å; F193-W230 AromaticContact CD2-CZ2 3.4Å; F193-W230 HydrophobicContact CD2-CZ2 3.4Å; F193-W230 VanDerWaalsContact CD2-CZ2 3.4Å; F193-W230 HydrophobicContact CD2-CZ3 4.12Å; F193-W230 AromaticContact CD2-NE1 3.97Å; F193-W230 HydrophobicContact CE1-CH2 4.04Å; F193-W230 HydrophobicContact CE1-CZ2 4.45Å; F193-W230 AromaticContact CE2-CH2 3.99Å; F193-W230 HydrophobicContact CE2-CH2 3.99Å; F193-W230 AromaticContact CE2-CZ2 3.58Å; F193-W230 HydrophobicContact CE2-CZ2 3.58Å; F193-W230 HydrophobicContact CG-CD2 4.01Å; F193-W230 AromaticContact CG-CE2 3.96Å; F193-W230 AromaticContact CG-CE3 3.82Å; F193-W230 HydrophobicContact CG-CE3 3.82Å; F193-W230 AromaticContact CG-CH2 3.6Å; F193-W230 HydrophobicContact CG-CH2 3.6Å; F193-W230 AromaticContact CG-CZ2 3.78Å; F193-W230 HydrophobicContact CG-CZ2 3.78Å; F193-W230 AromaticContact CG-CZ3 3.61Å; F193-W230 HydrophobicContact CG-CZ3 3.61Å; F193-W230 HydrophobicContact CZ-CH2 4.13Å; F193-W230 HydrophobicContact CZ-CZ2 4.11Å; F193-L231 PolarHBondContact O-N 3.25Å
194V98Very high96.5Very high9 Ų926.2 Ų26.26%0.05516%0.164CC..EExtended strand (participates in β ladder)trans-116.5109.7171.7-177.70000108.1L15 L19 L46 M49 L139 L231L15-V194 HydrophobicContact CD2-CG1 3.85Å; L19-V194 HydrophobicContact CD1-CG2 3.79Å; L19-V194 HydrophobicContact CD2-CG1 4.41Å; L19-V194 HydrophobicContact CD2-CG2 3.96Å; L19-V194 HydrophobicContact CG-CG2 4.48Å; L46-V194 HydrophobicContact CD1-CB 3.95Å; L46-V194 HydrophobicContact CD1-CG1 4.14Å; L46-V194 HydrophobicContact CD1-CG2 3.91Å; M49-V194 HydrophobicContact SD-CG1 3.94Å; L139-V194 PolarHBondContact O-N 3.32Å; V194-L231 WeakPolarHBondContact CA-O 3.46Å
195S95.4Very high96.4Very high0 Ų029.1 Ų29.10%018%0.176CC..EExtended strand (participates in β ladder)trans-138.1101.1-174.9-173.80000111.3K200 L231 I232 A236S195-K200 WeakPolarHBondContact OG-CD 3.48Å; S195-L231 PolarHBondContact N-O 3.4Å; S195-I232 VanDerWaalsContact O-CA 3.32Å; S195-I232 WeakPolarHBondContact O-CA 3.37Å; S195-I232 WeakPolarHBondContact O-CB 3.29Å; S195-I232 WeakPolarHBondContact O-CG2 3.24Å; S195-A236 VanDerWaalsContact O-CB 3.26Å; S195-A236 WeakPolarHBondContact O-CB 3.44Å
196T95.3Very high96.3Very high23 Ų2333.1 Ų33.114%0.14120%0.195CC..  trans-109154.3177.858.30000111.9L15 M49 K200 D233L15-T196 HydrophobicContact CD1-CG2 3.81Å; M49-T196 HydrophobicContact CE-CG2 4.11Å; T196-K200 PolarHBondContact O-NZ 2.9Å; T196-D233 WeakPolarHBondContact CA-OD1 3.48Å; T196-D233 VanDerWaalsContact CB-OD2 3.29Å; T196-D233 WeakPolarHBondContact CB-OD2 3.3Å; T196-D233 HydrophobicContact CG2-CB 4.2Å
197G94.4Very high96.3Very high25 Ų2532 Ų3226%0.25819%0.189SC..SBendtrans92.9143.3175.900000114.3S199 D233 A236G197-S199 VanDerWaalsContact C-N 3.27Å; G197-S199 PolarHBondContact O-N 3.39Å; G197-D233 VanDerWaalsContact N-CG 3.32Å; G197-D233 PolarHBondContact N-OD1 3.49Å; G197-D233 PolarHBondContact N-OD2 3.36Å; G197-A236 WeakPolarHBondContact O-CA 3.35Å
198G94.3Very high96.2Very high43 Ų4330.8 Ų30.844%0.44318%0.179SC..G310 helixtrans-70.7-14-172.600000116K200 A201 P235G198-K200 PolarHBondContact O-N 2.89Å; G198-A201 WeakPolarHBondContact O-CB 3.5Å; G198-A201 PolarHBondContact O-N 3.32Å; G198-A201 VanDerWaalsContact O-N 3.14Å; G198-P235 WeakPolarHBondContact CA-O 3.35Å
199S92.5Very high96.1Very high103 Ų10333.3 Ų33.372%0.7219%0.19SC*.G310 helixtrans-62.3-15.9177.958.40000113.7G197G197-S199 VanDerWaalsContact C-N 3.27Å; G197-S199 PolarHBondContact O-N 3.39Å
200K90.8Very high95.8Very high26 Ų2628.4 Ų28.411%0.11318%0.182CC..G310 helixtrans-103.7-3-179.1-59.6171.4-170.8158.70113.5M141 S195 T196 G198 T202 V203 L204M141-K200 HydrophobicContact CE-CB 3.96Å; M141-K200 HydrophobicContact CE-CD 4.46Å; M141-K200 HydrophobicContact CE-CG 4.49Å; M141-K200 WeakPolarHBondContact O-CD 3.42Å; M141-K200 WeakPolarHBondContact O-CE 3.37Å; S195-K200 WeakPolarHBondContact OG-CD 3.48Å; T196-K200 PolarHBondContact O-NZ 2.9Å; G198-K200 PolarHBondContact O-N 2.89Å; K200-T202 PolarHBondContact O-N 2.96Å; K200-V203 PolarHBondContact O-N 3.2Å; K200-L204 VanDerWaalsContact O-CB 3.28Å; K200-L204 WeakPolarHBondContact O-CB 3.21Å; K200-L204 PolarHBondContact O-N 2.99Å
201A96.2Very high95.1Very high9 Ų930.6 Ų30.67%0.07421%0.206CC..Hα-helixtrans-59.3-48.1-166.700000113.5G198 L204 K205 A236 A238 A239G198-A201 WeakPolarHBondContact O-CB 3.5Å; G198-A201 PolarHBondContact O-N 3.32Å; G198-A201 VanDerWaalsContact O-N 3.14Å; A201-L204 PolarHBondContact O-N 3.23Å; A201-K205 PolarHBondContact O-N 3.15Å; A201-A236 VanDerWaalsContact CA-O 3.27Å; A201-A236 WeakPolarHBondContact CA-O 3.25Å; A201-A238 HydrophobicContact CB-CB 4.4Å; A201-A239 HydrophobicContact CB-CB 4.12Å
202T96.3Very high94.3Very high98 Ų9841.4 Ų41.460%0.60125%0.253SS*.Hα-helixtrans-62.5-46.2179.5-50.60000111.9K200 L204 K205 E206K200-T202 PolarHBondContact O-N 2.96Å; T202-L204 VanDerWaalsContact C-N 3.34Å; T202-L204 PolarHBondContact O-N 3.15Å; T202-K205 WeakPolarHBondContact O-CB 3.31Å; T202-K205 PolarHBondContact O-N 3.1Å; T202-E206 PolarHBondContact O-N 2.9Å
203V96.5Very high93.5Very high17 Ų1745.7 Ų45.710%0.10329%0.288CS..Hα-helixtrans-67.7-37.4179.3172.30000111.4M141 P143 K200 K205 E206 V207 Y216M141-V203 HydrophobicContact CE-CG1 4.22Å; M141-V203 HydrophobicContact SD-CG1 4.49Å; P143-V203 VanDerWaalsContact O-CG2 3.25Å; P143-V203 WeakPolarHBondContact O-CG2 3.41Å; K200-V203 PolarHBondContact O-N 3.2Å; V203-K205 VanDerWaalsContact C-N 3.29Å; V203-K205 PolarHBondContact O-N 3.12Å; V203-E206 PolarHBondContact O-N 2.97Å; V203-V207 HydrophobicContact CG1-CG2 4.3Å; V203-V207 WeakPolarHBondContact O-CG2 3.38Å; V203-V207 PolarHBondContact O-N 3.28Å; V203-Y216 HydrophobicContact CG1-CD1 4.19Å; V203-Y216 HydrophobicContact CG1-CD2 4.12Å; V203-Y216 HydrophobicContact CG1-CE1 4.05Å; V203-Y216 HydrophobicContact CG1-CE2 3.95Å; V203-Y216 HydrophobicContact CG1-CG 4.22Å
204L96.6Very high93.1Very high0 Ų046.2 Ų46.20%029%0.292CS..Hα-helixtrans-62.1-38.7176.1-170.169.6000111.7M141 K200 A201 T202 V207 L208 W230 I232 A236 L240M141-L204 HydrophobicContact CE-CB 4.02Å; M141-L204 HydrophobicContact CE-CD1 3.84Å; M141-L204 HydrophobicContact SD-CD1 4.07Å; K200-L204 VanDerWaalsContact O-CB 3.28Å; K200-L204 WeakPolarHBondContact O-CB 3.21Å; K200-L204 PolarHBondContact O-N 2.99Å; A201-L204 PolarHBondContact O-N 3.23Å; T202-L204 VanDerWaalsContact C-N 3.34Å; T202-L204 PolarHBondContact O-N 3.15Å; L204-V207 PolarHBondContact O-N 3.05Å; L204-L208 HydrophobicContact CD1-CD1 4.09Å; L204-L208 HydrophobicContact CD1-CG 4.29Å; L204-L208 HydrophobicContact CD2-CD1 4.34Å; L204-L208 HydrophobicContact CG-CD1 3.87Å; L204-L208 HydrophobicContact CG-CG 4.34Å; L204-L208 WeakPolarHBondContact O-CB 3.46Å; L204-L208 WeakPolarHBondContact O-CG 3.35Å; L204-L208 PolarHBondContact O-N 3.47Å; L204-W230 HydrophobicContact CD1-CE3 3.54Å; L204-W230 HydrophobicContact CD1-CH2 4.15Å; L204-W230 HydrophobicContact CD1-CZ3 3.33Å; L204-I232 HydrophobicContact CD2-CB 4.34Å; L204-I232 HydrophobicContact CD2-CD1 3.6Å; L204-I232 HydrophobicContact CD2-CG2 3.93Å; L204-A236 HydrophobicContact CD2-CB 4.33Å; L204-A236 WeakPolarHBondContact CD2-O 3.4Å; L204-L240 HydrophobicContact CD2-CD1 4.36Å; L204-L240 HydrophobicContact CG-CD2 4.44Å
205K96.9Very high92.8Very high60 Ų6049.4 Ų49.426%0.26131%0.313SS..Hα-helixtrans-57.5-50.3172.2-172.9-168.7-176.154.70111.2A201 T202 V203 V207 L208 E209 A239 L240 T241A201-K205 PolarHBondContact O-N 3.15Å; T202-K205 WeakPolarHBondContact O-CB 3.31Å; T202-K205 PolarHBondContact O-N 3.1Å; V203-K205 VanDerWaalsContact C-N 3.29Å; V203-K205 PolarHBondContact O-N 3.12Å; K205-V207 VanDerWaalsContact C-N 3.3Å; K205-V207 PolarHBondContact O-N 3.03Å; K205-L208 PolarHBondContact O-N 3.27Å; K205-E209 WeakPolarHBondContact CE-OE2 3.14Å; K205-E209 HydrophobicContact CG-CG 4.3Å; K205-E209 WeakPolarHBondContact CG-OE2 3.11Å; K205-E209 IonicContact NZ-OE1 3.25Å; K205-E209 IonicContact NZ-OE2 3.7Å; K205-E209 PolarHBondContact NZ-OE2 3.29Å; K205-E209 WeakPolarHBondContact O-CA 3.34Å; K205-E209 WeakPolarHBondContact O-CB 3.28Å; K205-E209 WeakPolarHBondContact O-CG 3.34Å; K205-E209 PolarHBondContact O-N 2.84Å; K205-A239 HydrophobicContact CB-CB 4.15Å; K205-A239 HydrophobicContact CD-CB 4.34Å; K205-A239 VanDerWaalsContact CD-O 3.23Å; K205-A239 WeakPolarHBondContact CD-O 3.38Å; K205-A239 PolarHBondContact NZ-O 3.05Å; K205-L240 HydrophobicContact CB-CD2 4.14Å; K205-T241 VanDerWaalsContact NZ-CG2 3.31Å; K205-T241 PolarHBondContact NZ-OG1 3.1Å
206E96.4Very high92.9Very high85 Ų8551.3 Ų51.340%0.39732%0.32SS..Hα-helixtrans-66.1-31.7179.8-69.8-171-156.900113T202 V203 G210 S214 Y216T202-E206 PolarHBondContact O-N 2.9Å; V203-E206 PolarHBondContact O-N 2.97Å; E206-G210 VanDerWaalsContact O-CA 3.24Å; E206-G210 WeakPolarHBondContact O-CA 3.35Å; E206-G210 PolarHBondContact O-N 3.02Å; E206-S214 WeakPolarHBondContact O-CB 3.47Å; E206-S214 PolarHBondContact O-OG 3.4Å; E206-Y216 HydrophobicContact CB-CD2 3.92Å; E206-Y216 HydrophobicContact CB-CE2 3.54Å; E206-Y216 HydrophobicContact CG-CE2 4.32Å; E206-Y216 WeakPolarHBondContact OE2-CE2 3.47Å
207V96.7Very high93Very high4 Ų450.2 Ų50.22%0.02431%0.313CS..Hα-helixtrans-68.3-46.3173.71670000111.6M141 V203 L204 K205 Y216 A218 A219 W230M141-V207 HydrophobicContact SD-CB 4.45Å; M141-V207 HydrophobicContact SD-CG2 3.91Å; V203-V207 HydrophobicContact CG1-CG2 4.3Å; V203-V207 WeakPolarHBondContact O-CG2 3.38Å; V203-V207 PolarHBondContact O-N 3.28Å; L204-V207 PolarHBondContact O-N 3.05Å; K205-V207 VanDerWaalsContact C-N 3.3Å; K205-V207 PolarHBondContact O-N 3.03Å; V207-Y216 HydrophobicContact CG2-CD2 3.83Å; V207-Y216 HydrophobicContact CG2-CG 3.93Å; V207-A218 HydrophobicContact CG1-CB 4.13Å; V207-A218 HydrophobicContact CG2-CB 4.33Å; V207-A219 HydrophobicContact CB-CB 4.48Å; V207-A219 HydrophobicContact CG1-CB 4.12Å; V207-W230 HydrophobicContact CG1-CH2 3.56Å; V207-W230 HydrophobicContact CG1-CZ2 3.56Å
208L96Very high93.2Very high4 Ų449 Ų492%0.02130%0.301CS..Hα-helixtrans-83-31.5-173.3-69179.7000113.2R4 V6 L204 K205 W230 L240 I242R4-L208 PolarHBondContact NH1-O 3.49Å; R4-L208 PolarHBondContact NH2-O 3.5Å; V6-L208 HydrophobicContact CG1-CD1 4Å; V6-L208 HydrophobicContact CG2-CD1 4.13Å; V6-L208 HydrophobicContact CG2-CD2 4.18Å; L204-L208 HydrophobicContact CD1-CD1 4.09Å; L204-L208 HydrophobicContact CD1-CG 4.29Å; L204-L208 HydrophobicContact CD2-CD1 4.34Å; L204-L208 HydrophobicContact CG-CD1 3.87Å; L204-L208 HydrophobicContact CG-CG 4.34Å; L204-L208 WeakPolarHBondContact O-CB 3.46Å; L204-L208 WeakPolarHBondContact O-CG 3.35Å; L204-L208 PolarHBondContact O-N 3.47Å; K205-L208 PolarHBondContact O-N 3.27Å; L208-W230 HydrophobicContact CD2-CD2 3.73Å; L208-W230 HydrophobicContact CD2-CG 3.75Å; L208-W230 HydrophobicContact CD2-CZ2 4.21Å; L208-L240 HydrophobicContact CB-CD2 4.43Å; L208-L240 HydrophobicContact CD1-CD1 3.86Å; L208-L240 HydrophobicContact CD1-CD2 3.96Å; L208-I242 HydrophobicContact CB-CD1 4.06Å; L208-I242 HydrophobicContact CD1-CD1 4.4Å
209E95.3Very high93.3Very high54 Ų5448.6 Ų48.625%0.25229%0.293SS..Hα-helixtrans-115.7-16.2-169.8-48-173.1172.500113.4K205 G211 L240 T241 I242K205-E209 WeakPolarHBondContact CE-OE2 3.14Å; K205-E209 HydrophobicContact CG-CG 4.3Å; K205-E209 WeakPolarHBondContact CG-OE2 3.11Å; K205-E209 IonicContact NZ-OE1 3.25Å; K205-E209 IonicContact NZ-OE2 3.7Å; K205-E209 PolarHBondContact NZ-OE2 3.29Å; K205-E209 WeakPolarHBondContact O-CA 3.34Å; K205-E209 WeakPolarHBondContact O-CB 3.28Å; K205-E209 WeakPolarHBondContact O-CG 3.34Å; K205-E209 PolarHBondContact O-N 2.84Å; E209-G211 PolarHBondContact O-N 3.18Å; E209-L240 WeakPolarHBondContact OE1-CA 3.36Å; E209-T241 PolarHBondContact OE1-N 3.05Å; E209-T241 PolarHBondContact OE1-OG1 3.21Å; E209-T241 PolarHBondContact OE2-OG1 2.63Å; E209-I242 HydrophobicContact CG-CD1 4.38Å; E209-I242 HydrophobicContact CG-CG1 4.33Å; E209-I242 HydrophobicContact CG-CG2 3.66Å; E209-I242 WeakPolarHBondContact OE1-CG1 3.4Å; E209-I242 PolarHBondContact OE1-N 3.1Å
210G90Very high93.5Very high35 Ų3548.2 Ų48.236%0.36128%0.276SS..SBendtrans-72.5-7.1179.700000114.8E206E206-G210 VanDerWaalsContact O-CA 3.24Å; E206-G210 WeakPolarHBondContact O-CA 3.35Å; E206-G210 PolarHBondContact O-N 3.02Å
211G84.8Confident93.8Very high48 Ų4847.2 Ų47.250%0.49527%0.272SS..G310 helixtrans59.7-150.4178.700000113.1E209 A213 S214E209-G211 PolarHBondContact O-N 3.18Å; G211-A213 PolarHBondContact O-N 3.44Å; G211-A213 VanDerWaalsContact O-N 3.16Å; G211-S214 WeakPolarHBondContact O-CB 3.43Å; G211-S214 PolarHBondContact O-N 3.37Å
212K80.4Confident93.8Very high226 Ų22649.7 Ų49.798%0.98329%0.292SS*.G310 helixtrans-65.1-16.4-178.2-66.8-172.7179.6-176.80114.2S214K212-S214 VanDerWaalsContact C-N 3.33Å
213A81.6Confident93.8Very high90 Ų9045.2 Ų45.274%0.74427%0.265SS*.G310 helixtrans-85.9-6.7-179.800000113.1G211G211-A213 PolarHBondContact O-N 3.44Å; G211-A213 VanDerWaalsContact O-N 3.16Å
214S90Very high93.6Very high12 Ų1249.6 Ų49.68%0.08429%0.292CS..  trans-59.3126.9-179.9-1690000110.6E206 G211 K212 Y216E206-S214 WeakPolarHBondContact O-CB 3.47Å; E206-S214 PolarHBondContact O-OG 3.4Å; G211-S214 WeakPolarHBondContact O-CB 3.43Å; G211-S214 PolarHBondContact O-N 3.37Å; K212-S214 VanDerWaalsContact C-N 3.33Å; S214-Y216 PolarHBondContact O-N 3.47Å
215P92.3Very high93.2Very high75 Ų7555.4 Ų55.449%0.48733%0.332SS..  trans-75-7.3179.132.3-35.9000112.3
216Y97.5Very high93.1Very high40 Ų4053 Ų5316%0.15732%0.324CS..  trans-86.6130.5-169-64.1-57.7000112.8D144 P152 V203 E206 V207 S214 A218 A219D144-Y216 WeakPolarHBondContact O-CD1 3.19Å; D144-Y216 WeakPolarHBondContact O-CE1 3.33Å; P152-Y216 HydrophobicContact CG-CD1 4.26Å; V203-Y216 HydrophobicContact CG1-CD1 4.19Å; V203-Y216 HydrophobicContact CG1-CD2 4.12Å; V203-Y216 HydrophobicContact CG1-CE1 4.05Å; V203-Y216 HydrophobicContact CG1-CE2 3.95Å; V203-Y216 HydrophobicContact CG1-CG 4.22Å; E206-Y216 HydrophobicContact CB-CD2 3.92Å; E206-Y216 HydrophobicContact CB-CE2 3.54Å; E206-Y216 HydrophobicContact CG-CE2 4.32Å; E206-Y216 WeakPolarHBondContact OE2-CE2 3.47Å; V207-Y216 HydrophobicContact CG2-CD2 3.83Å; V207-Y216 HydrophobicContact CG2-CG 3.93Å; S214-Y216 PolarHBondContact O-N 3.47Å; Y216-A218 VanDerWaalsContact C-N 3.27Å; Y216-A218 PolarHBondContact O-N 2.91Å; Y216-A219 VanDerWaalsContact O-CB 3.31Å; Y216-A219 WeakPolarHBondContact O-CB 3.5Å; Y216-A219 PolarHBondContact O-N 2.95Å
217P97.5Very high93.1Very high0 Ų052 Ų520%032%0.32CS..G310 helixtrans-53.6-38.8177.2-3138000114.1G145 T147 L150 F151 P152 L157 F182 A219 R220G145-P217 WeakPolarHBondContact O-CD 3.18Å; T147-P217 HydrophobicContact CG2-CB 4.48Å; L150-P217 HydrophobicContact CB-CB 4.12Å; L150-P217 WeakPolarHBondContact O-CB 3.14Å; L150-P217 WeakPolarHBondContact O-CG 3.27Å; F151-P217 VanDerWaalsContact C-CG 3.47Å; P152-P217 HydrophobicContact CG-CG 4.24Å; L157-P217 HydrophobicContact CD1-CG 4.07Å; L157-P217 HydrophobicContact CD2-CB 3.85Å; L157-P217 HydrophobicContact CD2-CG 3.68Å; F182-P217 WeakPolarHBondContact CE1-O 3.29Å; F182-P217 HydrophobicContact CZ-CB 4.03Å; F182-P217 WeakPolarHBondContact CZ-O 3.32Å; P217-A219 PolarHBondContact O-N 3.45Å; P217-R220 WeakPolarHBondContact O-CB 3.32Å; P217-R220 PolarHBondContact O-N 2.75Å
218A97.8Very high93.1Very high1 Ų152.2 Ų52.21%0.00832%0.321CS..G310 helixtrans-62.7-24.9178.500000113.4M141 G145 T147 F193 V207 Y216 R220 V221 W230M141-A218 HydrophobicContact CG-CB 3.95Å; M141-A218 HydrophobicContact SD-CB 4.1Å; G145-A218 WeakPolarHBondContact O-CB 3.16Å; G145-A218 PolarHBondContact O-N 3.41Å; T147-A218 HydrophobicContact CG2-CB 4.39Å; F193-A218 HydrophobicContact CE1-CB 4.03Å; F193-A218 HydrophobicContact CZ-CB 3.98Å; V207-A218 HydrophobicContact CG1-CB 4.13Å; V207-A218 HydrophobicContact CG2-CB 4.33Å; Y216-A218 VanDerWaalsContact C-N 3.27Å; Y216-A218 PolarHBondContact O-N 2.91Å; A218-R220 VanDerWaalsContact C-N 3.27Å; A218-R220 PolarHBondContact O-N 3.45Å; A218-V221 PolarHBondContact O-N 3.31Å; A218-W230 HydrophobicContact CB-CH2 3.95Å; A218-W230 HydrophobicContact CB-CZ2 4.45Å
219A96.9Very high93.2Very high33 Ų3352.1 Ų52.127%0.27332%0.32SS..G310 helixtrans-73.8-18.3174.300000113.2V207 Y216 P217 V221V207-A219 HydrophobicContact CB-CB 4.48Å; V207-A219 HydrophobicContact CG1-CB 4.12Å; Y216-A219 VanDerWaalsContact O-CB 3.31Å; Y216-A219 WeakPolarHBondContact O-CB 3.5Å; Y216-A219 PolarHBondContact O-N 2.95Å; P217-A219 PolarHBondContact O-N 3.45Å; A219-V221 VanDerWaalsContact C-N 3.31Å
220R96.5Very high93.4Very high96 Ų9649.7 Ų49.736%0.36231%0.309SS..G310 helixtrans-84.6-6176.1-56.8-174.1-177.1-161.21.7112.8L157 E158 F182 N186 P217 A218 A222L157-R220 PolarHBondContact O-NH1 2.87Å; E158-R220 IonicContact OE1-CZ 3.15Å; E158-R220 IonicContact OE1-NH1 2.71Å; E158-R220 PolarHBondContact OE1-NH1 3.03Å; E158-R220 IonicContact OE1-NH2 2.81Å; F182-R220 HydrophobicContact CD1-CB 4.38Å; F182-R220 HydrophobicContact CE1-CB 3.81Å; F182-R220 HydrophobicContact CE2-CB 4.11Å; F182-R220 HydrophobicContact CZ-CB 3.66Å; F182-R220 HydrophobicContact CZ-CG 4.29Å; N186-R220 PolarHBondContact ND2-O 2.8Å; N186-R220 VanDerWaalsContact ND2-O 3.16Å; P217-R220 WeakPolarHBondContact O-CB 3.32Å; P217-R220 PolarHBondContact O-N 2.75Å; A218-R220 VanDerWaalsContact C-N 3.27Å; A218-R220 PolarHBondContact O-N 3.45Å; R220-A222 PolarHBondContact O-N 3.23Å
221V97.3Very high93.7Very high5 Ų548 Ų483%0.0329%0.292CS..  trans-79107.7173.2176.80000109.2L139 T147 F182 V185 N186 V191 F193 A218 A219 L228L139-V221 HydrophobicContact CD1-CG1 4.39Å; L139-V221 HydrophobicContact CD1-CG2 4.46Å; T147-V221 HydrophobicContact CG2-CG2 3.93Å; F182-V221 HydrophobicContact CD1-CG2 4.31Å; F182-V221 HydrophobicContact CE1-CG2 4.01Å; V185-V221 HydrophobicContact CG1-CB 4.41Å; V185-V221 HydrophobicContact CG1-CG1 3.77Å; V185-V221 HydrophobicContact CG1-CG2 3.81Å; N186-V221 WeakPolarHBondContact OD1-CA 3.48Å; V191-V221 HydrophobicContact CB-CG1 4.45Å; V191-V221 HydrophobicContact CG1-CG1 3.9Å; F193-V221 HydrophobicContact CE2-CB 3.74Å; F193-V221 HydrophobicContact CE2-CG1 3.68Å; F193-V221 HydrophobicContact CE2-CG2 4.16Å; F193-V221 HydrophobicContact CZ-CB 3.89Å; F193-V221 HydrophobicContact CZ-CG1 4.14Å; F193-V221 HydrophobicContact CZ-CG2 3.79Å; A218-V221 PolarHBondContact O-N 3.31Å; A219-V221 VanDerWaalsContact C-N 3.31Å; V221-L228 HydrophobicContact CG1-CD1 4.13Å; V221-L228 VanDerWaalsContact O-CD2 3.27Å; V221-L228 WeakPolarHBondContact O-CD2 3.09Å
222A95.8Very high94.4Very high60 Ų6045.7 Ų45.750%0.49627%0.268SS..  trans-146.785.7-17900000108.3N186 R220 T224N186-A222 PolarHBondContact OD1-N 2.89Å; R220-A222 PolarHBondContact O-N 3.23Å; A222-T224 PolarHBondContact O-N 3.09Å
223P96.4Very high95.1Very high4 Ų435.3 Ų35.33%0.02622%0.223CC..  trans-50.3128.8177.9-28.737000111.8A2 N186 V191 L228A2-P223 WeakPolarHBondContact CB-O 3.2Å; N186-P223 CarbonylContact O-C 3.56Å; N186-P223 WeakPolarHBondContact O-CA 3.11Å; V191-P223 HydrophobicContact CB-CG 3.91Å; V191-P223 HydrophobicContact CG2-CG 3.51Å; P223-L228 HydrophobicContact CG-CB 4.39Å
224T92.1Very high95.9Very high110 Ų11033.7 Ų33.768%0.67520%0.202SC*.SBendtrans-68.9-44.8-170.5-57.20000111.5N186 A222N186-T224 PolarHBondContact O-N 3.41Å; A222-T224 PolarHBondContact O-N 3.09Å
225S89.6Confident96.3Very high121 Ų12135.8 Ų35.885%0.84622%0.216SC*.SBendtrans-122.85.8-177.8-57.20000112.9
226G94.2Very high96.5Very high9 Ų932.2 Ų32.29%0.09319%0.192CC..SBendtrans-101.7-163.6-174.200000114.3A2 R189A2-G226 WeakPolarHBondContact CA-O 3.17Å; A2-G226 WeakPolarHBondContact CB-O 3.39Å; R189-G226 CarbonylContact O-C 3.57Å; R189-G226 WeakPolarHBondContact O-CA 3.47Å
227E96.3Very high96.5Very high65 Ų6530.8 Ų30.830%0.30419%0.189SC..EExtended strand (participates in β ladder)trans-110.6149.7170.8-66.2172.48200110.3R26 R189 C190 V191 F229R26-E227 IonicContact CZ-OE2 2.69Å; R26-E227 IonicContact NH1-OE2 3.41Å; R26-E227 PolarHBondContact NH1-OE2 2.84Å; R26-E227 VanDerWaalsContact NH2-CD 3.29Å; R26-E227 IonicContact NH2-OE1 3.7Å; R26-E227 PolarHBondContact NH2-OE1 2.74Å; R26-E227 VanDerWaalsContact NH2-OE1 3.13Å; R26-E227 IonicContact NH2-OE2 3.88Å; R26-E227 PolarHBondContact NH2-OE2 2.82Å; R189-E227 PolarHBondContact O-N 3.2Å; C190-E227 WeakPolarHBondContact CA-O 3.16Å; V191-E227 PolarHBondContact N-O 2.93Å; E227-F229 HydrophobicContact CB-CD2 4.29Å; E227-F229 HydrophobicContact CB-CE2 3.76Å
228L97.6Very high96.5Very high9 Ų934.7 Ų34.75%0.04722%0.221CC..EExtended strand (participates in β ladder)trans-125116.3174179.460.2000110.4R4 R5 V191 F193 V221 P223R4-L228 CarbonylContact C-O 3.52Å; R4-L228 WeakPolarHBondContact CA-O 3.31Å; R4-L228 HydrophobicContact CB-CB 4.49Å; R4-L228 HydrophobicContact CB-CD2 4.34Å; R4-L228 HydrophobicContact CG-CD2 3.98Å; R4-L228 HydrophobicContact CG-CG 4.22Å; R5-L228 PolarHBondContact N-O 3.27Å; V191-L228 HydrophobicContact CB-CD1 3.98Å; V191-L228 HydrophobicContact CG1-CD1 4.04Å; V191-L228 CarbonylContact O-C 3.52Å; V191-L228 WeakPolarHBondContact O-CA 2.87Å; F193-L228 HydrophobicContact CD2-CD1 3.92Å; F193-L228 HydrophobicContact CE2-CD1 4.07Å; V221-L228 HydrophobicContact CG1-CD1 4.13Å; V221-L228 VanDerWaalsContact O-CD2 3.27Å; V221-L228 WeakPolarHBondContact O-CD2 3.09Å; P223-L228 HydrophobicContact CG-CB 4.39Å
229F97.9Very high96.5Very high1 Ų136.1 Ų36.10%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-106.7137.4174.6-68.7-91000110.8R5 V7 V191 A192 F193 E227 L231 L253R5-F229 HydrophobicContact CB-CD1 4.09Å; R5-F229 HydrophobicContact CB-CE1 4.26Å; R5-F229 VanDerWaalsContact NH1-CE1 3.28Å; R5-F229 CarbonylContact O-C 3.36Å; R5-F229 WeakPolarHBondContact O-CA 3.35Å; V7-F229 HydrophobicContact CG2-CD1 4.43Å; V191-F229 PolarHBondContact O-N 3.01Å; A192-F229 CarbonylContact C-O 3.5Å; A192-F229 WeakPolarHBondContact CA-O 3.24Å; A192-F229 HydrophobicContact CB-CB 4.02Å; F193-F229 PolarHBondContact N-O 2.95Å; E227-F229 HydrophobicContact CB-CD2 4.29Å; E227-F229 HydrophobicContact CB-CE2 3.76Å; F229-L231 HydrophobicContact CB-CD2 4.1Å; F229-L231 HydrophobicContact CB-CG 4.41Å; F229-L231 HydrophobicContact CD1-CD2 4.4Å; F229-L253 HydrophobicContact CE1-CB 4.41Å
230W98.1Very high96.5Very high3 Ų335.8 Ų35.81%0.01123%0.226CC..EExtended strand (participates in β ladder)trans-112.7102.3162.7-75.785.8000108.1R5 V6 V7 M141 F193 L204 V207 L208 A218 I232R5-W230 PolarHBondContact O-N 3.18Å; V6-W230 HydrophobicContact CB-CB 4.49Å; V6-W230 HydrophobicContact CG1-CB 4.31Å; V6-W230 HydrophobicContact CG2-CB 4.29Å; V7-W230 PolarHBondContact N-O 3.24Å; M141-W230 HydrophobicContact CB-CZ3 4.48Å; M141-W230 HydrophobicContact SD-CH2 3.96Å; M141-W230 HydrophobicContact SD-CZ3 3.98Å; F193-W230 HydrophobicContact CB-CD2 3.72Å; F193-W230 HydrophobicContact CB-CE3 3.4Å; F193-W230 HydrophobicContact CB-CG 4.37Å; F193-W230 HydrophobicContact CB-CH2 4.13Å; F193-W230 HydrophobicContact CB-CZ2 4.4Å; F193-W230 HydrophobicContact CB-CZ3 3.63Å; F193-W230 AromaticContact CD1-CH2 3.77Å; F193-W230 HydrophobicContact CD1-CH2 3.77Å; F193-W230 HydrophobicContact CD1-CZ2 4.31Å; F193-W230 AromaticContact CD1-CZ3 3.88Å; F193-W230 HydrophobicContact CD1-CZ3 3.88Å; F193-W230 AromaticContact CD2-CD2 3.95Å; F193-W230 HydrophobicContact CD2-CD2 3.95Å; F193-W230 AromaticContact CD2-CE2 3.5Å; F193-W230 VanDerWaalsContact CD2-CE2 3.5Å; F193-W230 HydrophobicContact CD2-CE3 4.22Å; F193-W230 AromaticContact CD2-CH2 3.73Å; F193-W230 HydrophobicContact CD2-CH2 3.73Å; F193-W230 AromaticContact CD2-CZ2 3.4Å; F193-W230 HydrophobicContact CD2-CZ2 3.4Å; F193-W230 VanDerWaalsContact CD2-CZ2 3.4Å; F193-W230 HydrophobicContact CD2-CZ3 4.12Å; F193-W230 AromaticContact CD2-NE1 3.97Å; F193-W230 HydrophobicContact CE1-CH2 4.04Å; F193-W230 HydrophobicContact CE1-CZ2 4.45Å; F193-W230 AromaticContact CE2-CH2 3.99Å; F193-W230 HydrophobicContact CE2-CH2 3.99Å; F193-W230 AromaticContact CE2-CZ2 3.58Å; F193-W230 HydrophobicContact CE2-CZ2 3.58Å; F193-W230 HydrophobicContact CG-CD2 4.01Å; F193-W230 AromaticContact CG-CE2 3.96Å; F193-W230 AromaticContact CG-CE3 3.82Å; F193-W230 HydrophobicContact CG-CE3 3.82Å; F193-W230 AromaticContact CG-CH2 3.6Å; F193-W230 HydrophobicContact CG-CH2 3.6Å; F193-W230 AromaticContact CG-CZ2 3.78Å; F193-W230 HydrophobicContact CG-CZ2 3.78Å; F193-W230 AromaticContact CG-CZ3 3.61Å; F193-W230 HydrophobicContact CG-CZ3 3.61Å; F193-W230 HydrophobicContact CZ-CH2 4.13Å; F193-W230 HydrophobicContact CZ-CZ2 4.11Å; L204-W230 HydrophobicContact CD1-CE3 3.54Å; L204-W230 HydrophobicContact CD1-CH2 4.15Å; L204-W230 HydrophobicContact CD1-CZ3 3.33Å; V207-W230 HydrophobicContact CG1-CH2 3.56Å; V207-W230 HydrophobicContact CG1-CZ2 3.56Å; L208-W230 HydrophobicContact CD2-CD2 3.73Å; L208-W230 HydrophobicContact CD2-CG 3.75Å; L208-W230 HydrophobicContact CD2-CZ2 4.21Å; A218-W230 HydrophobicContact CB-CH2 3.95Å; A218-W230 HydrophobicContact CB-CZ2 4.45Å; W230-I232 HydrophobicContact CB-CG2 4.5Å; W230-I232 HydrophobicContact CE3-CG2 4.44Å
231L98Very high96.6Very high0 Ų036.5 Ų36.50%024%0.241CC..EExtended strand (participates in β ladder)trans-94.4109.5175.1-49.1-174.5000107.7V7 F9 L15 L19 L22 F193 V194 S195 F229 L253V7-L231 HydrophobicContact CB-CD2 3.94Å; V7-L231 HydrophobicContact CG2-CD2 4.1Å; F9-L231 HydrophobicContact CE2-CB 4.24Å; F9-L231 HydrophobicContact CE2-CD2 4.26Å; L15-L231 VanDerWaalsContact CD1-C 3.5Å; L15-L231 HydrophobicContact CD1-CB 4.03Å; L15-L231 HydrophobicContact CD2-CB 4.34Å; L15-L231 HydrophobicContact CG-CB 4.22Å; L19-L231 HydrophobicContact CD1-CD1 4.18Å; L22-L231 HydrophobicContact CD2-CD1 4.09Å; F193-L231 PolarHBondContact O-N 3.25Å; V194-L231 WeakPolarHBondContact CA-O 3.46Å; S195-L231 PolarHBondContact N-O 3.4Å; F229-L231 HydrophobicContact CB-CD2 4.1Å; F229-L231 HydrophobicContact CB-CG 4.41Å; F229-L231 HydrophobicContact CD1-CD2 4.4Å; L231-L253 HydrophobicContact CD1-CD1 4.29Å; L231-L253 HydrophobicContact CD2-CD1 3.43Å; L231-L253 VanDerWaalsContact CD2-CD1 3.43Å
232I97.7Very high96.5Very high0 Ų039 Ų390%025%0.254CS..EExtended strand (participates in β ladder)trans-135.9155.7-172.264.4-179.5000111V6 V7 V8 F9 S195 L204 W230 A236 A237 L240V6-I232 HydrophobicContact CG1-CD1 3.83Å; V7-I232 PolarHBondContact O-N 2.85Å; V8-I232 CarbonylContact C-O 3.47Å; V8-I232 WeakPolarHBondContact CA-O 3.28Å; V8-I232 HydrophobicContact CB-CG1 4.44Å; V8-I232 HydrophobicContact CG2-CD1 3.83Å; V8-I232 HydrophobicContact CG2-CG1 3.76Å; F9-I232 WeakPolarHBondContact CD2-O 3.39Å; F9-I232 PolarHBondContact N-O 3.45Å; S195-I232 VanDerWaalsContact O-CA 3.32Å; S195-I232 WeakPolarHBondContact O-CA 3.37Å; S195-I232 WeakPolarHBondContact O-CB 3.29Å; S195-I232 WeakPolarHBondContact O-CG2 3.24Å; L204-I232 HydrophobicContact CD2-CB 4.34Å; L204-I232 HydrophobicContact CD2-CD1 3.6Å; L204-I232 HydrophobicContact CD2-CG2 3.93Å; W230-I232 HydrophobicContact CB-CG2 4.5Å; W230-I232 HydrophobicContact CE3-CG2 4.44Å; I232-A236 HydrophobicContact CB-CB 4.28Å; I232-A237 HydrophobicContact CD1-CB 3.78Å; I232-A237 HydrophobicContact CG1-CB 4.25Å; I232-L240 HydrophobicContact CD1-CD1 3.55Å
233D97.1Very high96.4Very high8 Ų845.4 Ų45.44%0.04327%0.274CS..EExtended strand (participates in β ladder)trans-94.8165.8173.766.3-0000112.1F9 T196 G197 P235 A236 A237F9-D233 CarbonylContact O-C 3.54Å; F9-D233 VanDerWaalsContact O-CA 3.23Å; F9-D233 WeakPolarHBondContact O-CA 3.23Å; T196-D233 WeakPolarHBondContact CA-OD1 3.48Å; T196-D233 VanDerWaalsContact CB-OD2 3.29Å; T196-D233 WeakPolarHBondContact CB-OD2 3.3Å; T196-D233 HydrophobicContact CG2-CB 4.2Å; G197-D233 VanDerWaalsContact N-CG 3.32Å; G197-D233 PolarHBondContact N-OD1 3.49Å; G197-D233 PolarHBondContact N-OD2 3.36Å; D233-P235 VanDerWaalsContact C-N 3.33Å; D233-A236 PolarHBondContact O-N 3.05Å; D233-A236 WeakPolarHBondContact OD1-CB 3.13Å; D233-A236 PolarHBondContact OD1-N 3.18Å; D233-A237 WeakPolarHBondContact O-CB 3.05Å; D233-A237 PolarHBondContact O-N 3.15Å
234D97.8Very high96.4Very high55 Ų5547.4 Ų47.429%0.29429%0.286SS..Hα-helixtrans-53.6-43.7178.3-87.8-30.4000112.7V8 F9 P10 A236 A237 A238 R246V8-D234 VanDerWaalsContact CG1-OD1 3.26Å; V8-D234 WeakPolarHBondContact CG1-OD1 3.46Å; F9-D234 PolarHBondContact O-N 2.83Å; P10-D234 WeakPolarHBondContact CA-OD2 3.32Å; D234-A236 PolarHBondContact O-N 3.28Å; D234-A237 CarbonylContact O-C 3.59Å; D234-A237 PolarHBondContact O-N 3.37Å; D234-A238 PolarHBondContact O-N 2.93Å; D234-R246 IonicContact OD1-CZ 3.94Å; D234-R246 VanDerWaalsContact OD1-CZ 3.23Å; D234-R246 IonicContact OD1-NH1 3.36Å; D234-R246 PolarHBondContact OD1-NH1 3.03Å; D234-R246 IonicContact OD1-NH2 3Å; D234-R246 PolarHBondContact OD1-NH2 3.2Å; D234-R246 IonicContact OD2-NH1 3.98Å
235P97.5Very high96.6Very high57 Ų5745.8 Ų45.837%0.3727%0.271SS..Hα-helixtrans-54.5-48.5171.9-29.135.7000113.6G198 D233 A237 A238G198-P235 WeakPolarHBondContact CA-O 3.35Å; D233-P235 VanDerWaalsContact C-N 3.33Å; P235-A237 VanDerWaalsContact C-N 3.3Å; P235-A237 PolarHBondContact O-N 3.14Å; P235-A238 WeakPolarHBondContact O-CB 3.3Å; P235-A238 PolarHBondContact O-N 3.25Å
236A97.1Very high96.8Very high0 Ų046.8 Ų46.80%026%0.256CS..Hα-helixtrans-67.9-30.4177.800000112.5S195 G197 A201 L204 I232 D233 D234 A238S195-A236 VanDerWaalsContact O-CB 3.26Å; S195-A236 WeakPolarHBondContact O-CB 3.44Å; G197-A236 WeakPolarHBondContact O-CA 3.35Å; A201-A236 VanDerWaalsContact CA-O 3.27Å; A201-A236 WeakPolarHBondContact CA-O 3.25Å; L204-A236 HydrophobicContact CD2-CB 4.33Å; L204-A236 WeakPolarHBondContact CD2-O 3.4Å; I232-A236 HydrophobicContact CB-CB 4.28Å; D233-A236 PolarHBondContact O-N 3.05Å; D233-A236 WeakPolarHBondContact OD1-CB 3.13Å; D233-A236 PolarHBondContact OD1-N 3.18Å; D234-A236 PolarHBondContact O-N 3.28Å; A236-A238 VanDerWaalsContact C-N 3.33Å
237A97.6Very high96.5Very high10 Ų1048.3 Ų48.38%0.08326%0.264CS..Hα-helixtrans-82.3-5.617900000114V8 I232 D233 D234 P235 A239 L240V8-A237 HydrophobicContact CB-CB 4.47Å; V8-A237 HydrophobicContact CG1-CB 3.71Å; V8-A237 HydrophobicContact CG2-CB 3.81Å; I232-A237 HydrophobicContact CD1-CB 3.78Å; I232-A237 HydrophobicContact CG1-CB 4.25Å; D233-A237 WeakPolarHBondContact O-CB 3.05Å; D233-A237 PolarHBondContact O-N 3.15Å; D234-A237 CarbonylContact O-C 3.59Å; D234-A237 PolarHBondContact O-N 3.37Å; P235-A237 VanDerWaalsContact C-N 3.3Å; P235-A237 PolarHBondContact O-N 3.14Å; A237-A239 PolarHBondContact O-N 3.47Å; A237-L240 HydrophobicContact CB-CD1 4.05Å; A237-L240 HydrophobicContact CB-CG 4.46Å; A237-L240 WeakPolarHBondContact O-CB 3.45Å; A237-L240 WeakPolarHBondContact O-CG 3.13Å; A237-L240 PolarHBondContact O-N 3.14Å
238A97.7Very high95.6Very high82 Ų8247.9 Ų47.968%0.67828%0.277SS*.THydrogen-bonded Turntrans-57.7-23.6-167.200000115.5A201 D234 P235 A236A201-A238 HydrophobicContact CB-CB 4.4Å; D234-A238 PolarHBondContact O-N 2.93Å; P235-A238 WeakPolarHBondContact O-CB 3.3Å; P235-A238 PolarHBondContact O-N 3.25Å; A236-A238 VanDerWaalsContact C-N 3.33Å
239A97.6Very high94.2Very high30 Ų3053 Ų5325%0.24832%0.321CS..THydrogen-bonded Turntrans-98.1-6.1178.700000114A201 K205 A237A201-A239 HydrophobicContact CB-CB 4.12Å; K205-A239 HydrophobicContact CB-CB 4.15Å; K205-A239 HydrophobicContact CD-CB 4.34Å; K205-A239 VanDerWaalsContact CD-O 3.23Å; K205-A239 WeakPolarHBondContact CD-O 3.38Å; K205-A239 PolarHBondContact NZ-O 3.05Å; A237-A239 PolarHBondContact O-N 3.47Å
240L97.6Very high92.6Very high26 Ų2656.6 Ų56.614%0.13636%0.358CS..  trans-70.3143.3-178-59.4-175.1000111.2V6 L204 K205 L208 E209 I232 A237 I242 V244V6-L240 HydrophobicContact CG1-CD1 4.23Å; L204-L240 HydrophobicContact CD2-CD1 4.36Å; L204-L240 HydrophobicContact CG-CD2 4.44Å; K205-L240 HydrophobicContact CB-CD2 4.14Å; L208-L240 HydrophobicContact CB-CD2 4.43Å; L208-L240 HydrophobicContact CD1-CD1 3.86Å; L208-L240 HydrophobicContact CD1-CD2 3.96Å; E209-L240 WeakPolarHBondContact OE1-CA 3.36Å; I232-L240 HydrophobicContact CD1-CD1 3.55Å; A237-L240 HydrophobicContact CB-CD1 4.05Å; A237-L240 HydrophobicContact CB-CG 4.46Å; A237-L240 WeakPolarHBondContact O-CB 3.45Å; A237-L240 WeakPolarHBondContact O-CG 3.13Å; A237-L240 PolarHBondContact O-N 3.14Å; L240-I242 HydrophobicContact CB-CG1 4.5Å; L240-V244 HydrophobicContact CD1-CG1 4.26Å
241T97.2Very high91.2Very high111 Ų11158 Ų5868%0.68137%0.37SS*.  trans-122.2-10.6175.652.80000113K205 E209K205-T241 VanDerWaalsContact NZ-CG2 3.31Å; K205-T241 PolarHBondContact NZ-OG1 3.1Å; E209-T241 PolarHBondContact OE1-N 3.05Å; E209-T241 PolarHBondContact OE1-OG1 3.21Å; E209-T241 PolarHBondContact OE2-OG1 2.63Å
242I95.6Very high90.1Very high58 Ų5866.2 Ų66.230%0.29741%0.406SS..SBendtrans-69.4160.4171.157.4173.3000112.3V6 L208 E209 L240 V244V6-I242 HydrophobicContact CG2-CD1 4.08Å; L208-I242 HydrophobicContact CB-CD1 4.06Å; L208-I242 HydrophobicContact CD1-CD1 4.4Å; E209-I242 HydrophobicContact CG-CD1 4.38Å; E209-I242 HydrophobicContact CG-CG1 4.33Å; E209-I242 HydrophobicContact CG-CG2 3.66Å; E209-I242 WeakPolarHBondContact OE1-CG1 3.4Å; E209-I242 PolarHBondContact OE1-N 3.1Å; L240-I242 HydrophobicContact CB-CG1 4.5Å; I242-V244 HydrophobicContact CG1-CG1 4.36Å
243Q93.8Very high89.3Confident195 Ų19568 Ų6891%0.91142%0.415SS*.  trans-65.3138.8167.5-70.4-173.5-24.400110.4
244V95.9Very high88.9Confident46 Ų4671 Ų7128%0.27943%0.433SS..  trans-131.2149.1-179.1-62.60000110.2V6 V8 L240 I242 R246V6-V244 HydrophobicContact CB-CG1 4.26Å; V6-V244 HydrophobicContact CG1-CB 4.45Å; V6-V244 HydrophobicContact CG1-CG1 3.77Å; V8-V244 HydrophobicContact CB-CG2 4.32Å; V8-V244 HydrophobicContact CG2-CB 3.65Å; V8-V244 HydrophobicContact CG2-CG1 3.85Å; V8-V244 HydrophobicContact CG2-CG2 3.75Å; L240-V244 HydrophobicContact CD1-CG1 4.26Å; I242-V244 HydrophobicContact CG1-CG1 4.36Å; V244-R246 HydrophobicContact CG2-CG 4.35Å
245E96.1Very high88.5Confident76 Ų7671.8 Ų71.836%0.35544%0.441SS..BIsolated β-bridgetrans-81.2131172.1-62.8177.3-148.700109.3R5 V6 V7 V8R5-E245 WeakPolarHBondContact CB-OE1 3.24Å; R5-E245 WeakPolarHBondContact CG-OE1 3.44Å; R5-E245 IonicContact CZ-OE1 3.96Å; R5-E245 IonicContact CZ-OE2 2.84Å; R5-E245 IonicContact NE-OE1 3.66Å; R5-E245 PolarHBondContact NE-OE1 3.4Å; R5-E245 IonicContact NE-OE2 2.68Å; R5-E245 PolarHBondContact NE-OE2 2.96Å; R5-E245 VanDerWaalsContact NE-OE2 3.15Å; R5-E245 IonicContact NH2-OE1 2.74Å; R5-E245 IonicContact NH2-OE2 3.77Å; R5-E245 PolarHBondContact NH2-OE2 2.87Å; V6-E245 PolarHBondContact O-N 2.69Å; V7-E245 CarbonylContact C-O 3.55Å; V7-E245 WeakPolarHBondContact CA-O 3.34Å; V7-E245 HydrophobicContact CG2-CB 4.33Å; V8-E245 PolarHBondContact N-O 2.99Å
246R94.8Very high88Confident142 Ų14272.6 Ų72.654%0.53645%0.445SS..  trans-120.694.4175.5-72180174.1-85.1-0.7108.8V8 D234 V244V8-R246 HydrophobicContact CB-CG 4.36Å; D234-R246 IonicContact OD1-CZ 3.94Å; D234-R246 VanDerWaalsContact OD1-CZ 3.23Å; D234-R246 IonicContact OD1-NH1 3.36Å; D234-R246 PolarHBondContact OD1-NH1 3.03Å; D234-R246 IonicContact OD1-NH2 3Å; D234-R246 PolarHBondContact OD1-NH2 3.2Å; D234-R246 IonicContact OD2-NH1 3.98Å; V244-R246 HydrophobicContact CG2-CG 4.35Å
247P88.1Confident87.4Confident40 Ų4076.9 Ų76.926%0.2647%0.471SS..PPolyproline II helixtrans-66.5144.8-178.622-28000111.2V7 F9 A251V7-P247 VanDerWaalsContact CG1-CD 3.49Å; V7-P247 HydrophobicContact CG1-CG 3.61Å; F9-P247 HydrophobicContact CD1-CG 3.97Å; F9-P247 HydrophobicContact CE1-CG 3.4Å; F9-P247 HydrophobicContact CZ-CG 3.84Å; P247-A251 HydrophobicContact CB-CB 3.38Å
248G76.8Confident86.8Confident57 Ų5781.1 Ų81.159%0.58850%0.495SS*.PPolyproline II helixtrans-68.5168.1167.500000112G250 A251G248-G250 PolarHBondContact O-N 3.5Å; G248-A251 WeakPolarHBondContact O-CB 3.2Å; G248-A251 PolarHBondContact O-N 2.67Å; G248-A251 VanDerWaalsContact O-N 3.16Å
249A68.2Low86.1Confident117 Ų11781 Ų8197%0.96748%0.483SS*.THydrogen-bonded Turntrans-56129.2175.700000111.1
250G64.1Low85.3Confident75 Ų7584.6 Ų84.677%0.77350%0.5SS*.THydrogen-bonded Turntrans78.611.6179.500000115.6G248G248-G250 PolarHBondContact O-N 3.5Å
251A69.3Low84.3Confident33 Ų3389.2 Ų89.227%0.27353%0.528SS..  trans-61.3144.5174.700000112.2P247 G248P247-A251 HydrophobicContact CB-CB 3.38Å; G248-A251 WeakPolarHBondContact O-CB 3.2Å; G248-A251 PolarHBondContact O-N 2.67Å; G248-A251 VanDerWaalsContact O-N 3.16Å
252K75.1Confident83.2Confident173 Ų17387.3 Ų87.375%0.75252%0.515SS*.  trans-106.4141.3172.1-60.6-176.3179.8-173.80109
253L81.3Confident82.1Confident36 Ų3690 Ų9019%0.18854%0.535CS..  trans-96.90179.7-68.4177.6000113.3V7 V18 L22 F229 L231V7-L253 HydrophobicContact CG1-CD2 4.22Å; V7-L253 HydrophobicContact CG2-CD2 4.14Å; V18-L253 HydrophobicContact CG1-CD1 3.53Å; V18-L253 HydrophobicContact CG1-CG 3.7Å; L22-L253 HydrophobicContact CD1-CB 4.28Å; F229-L253 HydrophobicContact CE1-CB 4.41Å; L231-L253 HydrophobicContact CD1-CD1 4.29Å; L231-L253 HydrophobicContact CD2-CD1 3.43Å; L231-L253 VanDerWaalsContact CD2-CD1 3.43Å

Retrieved 253 of 253 residues in 489 ms (Link to these results)

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