A0A087YNE2_POEFO Loading...

Acetyl-CoA acetyltransferase 2

AlphaFold DB , UniProt , Accession A0A087YNE2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 405 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
1F35.4Very low73.7Confident260 Ų26093.3 Ų93.3100%1.1445%0.45SS*.  090.20-70.4-91000109.8M3F1-M3 PolarHBondContact O-N 3.4Å
2R39.2Very low75.8Confident248 Ų24885.8 Ų85.894%0.93641%0.414SS*.  trans-87.593.4158.2-81.6-175.3177.8-178.7-0.8104.7N4R2-N4 PolarHBondContact O-N 3.15Å
3M42.3Very low77.6Confident169 Ų16979.2 Ų79.283%0.83338%0.383SS*.  trans-55.7129.6160-74.4-167.7-70.200105.4F1 A5F1-M3 PolarHBondContact O-N 3.4Å; M3-A5 PolarHBondContact O-N 3.4Å
4N52.8Low79.1Confident171 Ų17173.6 Ų73.691%0.91436%0.355SS*.  trans-59.188.8167.2-92.8-13.1000106.3R2 E6R2-N4 PolarHBondContact O-N 3.15Å; N4-E6 PolarHBondContact O-N 3.41Å
5A72.1Confident80.4Confident58 Ų5868.7 Ų68.748%0.47933%0.332SS..PPolyproline II helixtrans-60.6127.2178.800000107M3 P7M3-A5 PolarHBondContact O-N 3.4Å; A5-P7 WeakPolarHBondContact O-CD 3.39Å
6E85.1Confident81.6Confident72 Ų7264.4 Ų64.434%0.33631%0.311SS..PPolyproline II helixtrans-54.6125.2-179.3-170.6173.5-172.300109.5N4 V8 S265 S267N4-E6 PolarHBondContact O-N 3.41Å; E6-V8 PolarHBondContact O-N 2.58Å; E6-S265 WeakPolarHBondContact OE1-CB 3.41Å; E6-S265 PolarHBondContact OE1-OG 2.86Å; E6-S267 VanDerWaalsContact OE1-CB 3.26Å; E6-S267 WeakPolarHBondContact OE1-CB 3.24Å; E6-S267 PolarHBondContact OE1-OG 3.03Å
7P91.8Very high82.6Confident37 Ų3760.6 Ų60.624%0.2429%0.293CS..PPolyproline II helixtrans-59.3136.8178.2-2736.5000111.4A5 Q266 K279A5-P7 WeakPolarHBondContact O-CD 3.39Å; P7-Q266 HydrophobicContact CB-CB 3.92Å; P7-Q266 VanDerWaalsContact CB-OE1 3.23Å; P7-Q266 WeakPolarHBondContact O-CB 3.11Å; P7-Q266 PolarHBondContact O-N 3.46Å; P7-K279 HydrophobicContact CB-CD 4.12Å
8V97.4Very high83.5Confident0 Ų057.3 Ų57.30%028%0.277CS..EExtended strand (participates in β ladder)trans-100.4136.3172.5-177.20000108.9E6 A103 I106 Q107 L263 I280E6-V8 PolarHBondContact O-N 2.58Å; V8-A103 HydrophobicContact CB-CB 4.23Å; V8-A103 HydrophobicContact CG1-CB 4.05Å; V8-A103 HydrophobicContact CG2-CB 4.22Å; V8-I106 HydrophobicContact CG1-CD1 3.9Å; V8-I106 HydrophobicContact CG2-CB 3.99Å; V8-I106 HydrophobicContact CG2-CG2 3.81Å; V8-Q107 HydrophobicContact CG2-CG 3.75Å; V8-L263 HydrophobicContact CG1-CB 4.22Å; V8-I280 HydrophobicContact CG1-CD1 4.15Å; V8-I280 PolarHBondContact O-N 2.88Å
9V98.4Very high84.3Confident0 Ų054.4 Ų54.40%026%0.263CS..EExtended strand (participates in β ladder)trans-122.7149.3-179.4-60.40000111.3V11 L263 M264 Q266 A269 P276 A278 K279V9-V11 HydrophobicContact CG2-CG1 4.09Å; V9-L263 WeakPolarHBondContact O-CA 3.27Å; V9-M264 HydrophobicContact CG2-CG 3.81Å; V9-M264 WeakPolarHBondContact CG2-O 3.25Å; V9-M264 PolarHBondContact N-O 2.9Å; V9-M264 PolarHBondContact O-N 3.33Å; V9-M264 VanDerWaalsContact O-N 3.08Å; V9-Q266 HydrophobicContact CG1-CB 3.97Å; V9-Q266 HydrophobicContact CG1-CG 4.26Å; V9-A269 HydrophobicContact CG2-CB 3.84Å; V9-P276 HydrophobicContact CB-CB 3.74Å; V9-P276 HydrophobicContact CB-CG 4.07Å; V9-P276 HydrophobicContact CG1-CB 4.25Å; V9-P276 HydrophobicContact CG1-CG 4.28Å; V9-P276 HydrophobicContact CG2-CB 3.94Å; V9-P276 HydrophobicContact CG2-CG 3.87Å; V9-A278 WeakPolarHBondContact CA-O 3.41Å; V9-K279 HydrophobicContact CG1-CB 4.33Å
10I98.7Very high85Confident0 Ų053.1 Ų53.10%026%0.26CS..EExtended strand (participates in β ladder)trans-96.6119.2171.3-54.9172.3000106.7A13 T261 L263 M277 A278 I280 L363 L367 V394I10-A13 HydrophobicContact CG2-CB 4.45Å; I10-T261 HydrophobicContact CG2-CG2 4.19Å; I10-L263 HydrophobicContact CB-CD2 4.32Å; I10-L263 HydrophobicContact CG1-CD2 3.6Å; I10-M277 WeakPolarHBondContact O-CB 3.39Å; I10-M277 PolarHBondContact O-N 3.3Å; I10-A278 PolarHBondContact N-O 2.89Å; I10-A278 PolarHBondContact O-N 2.94Å; I10-I280 HydrophobicContact CD1-CD1 4.29Å; I10-I280 HydrophobicContact CD1-CG1 4.02Å; I10-I280 HydrophobicContact CG1-CD1 4.05Å; I10-I280 HydrophobicContact CG1-CG1 3.95Å; I10-L363 HydrophobicContact CD1-CD1 4.26Å; I10-L363 HydrophobicContact CD1-CD2 4.04Å; I10-L363 HydrophobicContact CD1-CG 4.44Å; I10-L367 HydrophobicContact CB-CD1 4.42Å; I10-L367 HydrophobicContact CD1-CD1 3.84Å; I10-L367 HydrophobicContact CD1-CD2 4.24Å; I10-L367 HydrophobicContact CG2-CD1 3.83Å; I10-V394 HydrophobicContact CD1-CG1 4.36Å
11V97.9Very high85.6Confident11 Ų1154.3 Ų54.37%0.06727%0.267CS..EExtended strand (participates in β ladder)trans-100.4-25.4-178.1-63.80000113.8V9 A45 V262 M264 A269 V274 P276V9-V11 HydrophobicContact CG2-CG1 4.09Å; V11-A45 HydrophobicContact CG2-CB 3.63Å; V11-V262 HydrophobicContact CG2-CB 3.72Å; V11-V262 HydrophobicContact CG2-CG1 3.61Å; V11-V262 WeakPolarHBondContact CG2-O 3.04Å; V11-V262 PolarHBondContact N-O 3.18Å; V11-M264 HydrophobicContact CB-CE 4.13Å; V11-M264 HydrophobicContact CG1-CE 3.74Å; V11-M264 HydrophobicContact CG1-CG 3.71Å; V11-M264 HydrophobicContact CG1-SD 3.51Å; V11-M264 VanDerWaalsContact CG1-SD 3.51Å; V11-M264 HydrophobicContact CG2-CE 3.42Å; V11-M264 VanDerWaalsContact CG2-CE 3.42Å; V11-M264 HydrophobicContact CG2-SD 4.36Å; V11-A269 HydrophobicContact CG1-CB 4.42Å; V11-V274 HydrophobicContact CB-CG1 3.72Å; V11-V274 HydrophobicContact CG1-CG1 3.75Å; V11-V274 HydrophobicContact CG2-CG1 4.35Å; V11-P276 HydrophobicContact CG1-CB 4.26Å; V11-P276 HydrophobicContact CG1-CG 4.49Å
12S98.6Very high88.6Confident3 Ų346.3 Ų46.32%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-150.1151.1174.467.90000110V41 T261 V262S12-V41 WeakPolarHBondContact CB-O 3.45Å; S12-V41 WeakPolarHBondContact OG-CB 3.26Å; S12-V41 PolarHBondContact OG-O 3.46Å; S12-T261 CarbonylContact O-C 3.6Å; S12-T261 WeakPolarHBondContact O-CA 3.41Å; S12-V262 PolarHBondContact O-N 3.4Å; S12-V262 WeakPolarHBondContact OG-CB 3.48Å; S12-V262 WeakPolarHBondContact OG-CG2 3.37Å
13A98.8Very high91.4Very high1 Ų135.3 Ų35.31%0.00821%0.207CC..EExtended strand (participates in β ladder)trans-151.7127.7-177.600000109I10 A260 T261 M277 V364 L367 H368I10-A13 HydrophobicContact CG2-CB 4.45Å; A13-A260 WeakPolarHBondContact CA-O 3.19Å; A13-T261 HydrophobicContact CB-CG2 3.97Å; A13-M277 HydrophobicContact CB-CE 4.28Å; A13-M277 HydrophobicContact CB-SD 3.75Å; A13-V364 HydrophobicContact CB-CB 4.5Å; A13-V364 HydrophobicContact CB-CG1 4.39Å; A13-V364 HydrophobicContact CB-CG2 4.07Å; A13-L367 HydrophobicContact CB-CD1 3.76Å; A13-H368 PolarHBondContact O-NE2 3.06Å
14A98.9Very high94Very high0 Ų028.8 Ų28.80%018%0.18CC..EExtended strand (participates in β ladder)trans-149.9163.7178.800000111.1V37 V41 E201 V203 A259 A260A14-V37 HydrophobicContact CB-CG1 4.32Å; A14-V37 WeakPolarHBondContact O-CG1 3.31Å; A14-V41 HydrophobicContact CB-CG1 3.52Å; A14-E201 CarbonylContact C-O 3.58Å; A14-E201 WeakPolarHBondContact CA-O 3.33Å; A14-V203 HydrophobicContact CB-CG2 3.66Å; A14-A259 WeakPolarHBondContact O-CA 3.34Å; A14-A260 PolarHBondContact N-O 3.15Å; A14-A260 PolarHBondContact O-N 3.01Å
15R98.9Very high96.2Very high0 Ų020.7 Ų20.70%014%0.137CC..EExtended strand (participates in β ladder)trans-144.6160.4178.662.1171.9-173.690.8-8.2111.9E201 I202 V203 D219 A258 A259 M357 V364R15-E201 HydrophobicContact CG-CG 4.34Å; R15-E201 IonicContact CZ-OE1 2.9Å; R15-E201 PolarHBondContact N-O 2.87Å; R15-E201 IonicContact NE-OE1 2.77Å; R15-E201 PolarHBondContact NE-OE1 2.92Å; R15-E201 IonicContact NH2-OE1 3.2Å; R15-E201 PolarHBondContact NH2-OE1 3.44Å; R15-E201 VanDerWaalsContact NH2-OE1 3.16Å; R15-I202 HydrophobicContact CG-CG1 4.5Å; R15-I202 CarbonylContact O-C 3.58Å; R15-I202 VanDerWaalsContact O-CA 3.3Å; R15-I202 WeakPolarHBondContact O-CA 3.35Å; R15-V203 PolarHBondContact O-N 3.36Å; R15-D219 IonicContact CZ-OD1 3.16Å; R15-D219 IonicContact CZ-OD2 3.78Å; R15-D219 IonicContact NH1-OD1 3.21Å; R15-D219 PolarHBondContact NH1-OD1 2.88Å; R15-D219 IonicContact NH1-OD2 3.36Å; R15-D219 PolarHBondContact NH1-OD2 2.92Å; R15-D219 IonicContact NH2-OD1 2.71Å; R15-D219 IonicContact NH2-OD2 2.75Å; R15-D219 PolarHBondContact NH2-OD2 3.3Å; R15-A258 CarbonylContact C-O 3.55Å; R15-A258 VanDerWaalsContact CA-O 3.25Å; R15-A258 WeakPolarHBondContact CA-O 3.49Å; R15-A259 HydrophobicContact CB-CB 3.91Å; R15-M357 HydrophobicContact CB-CE 3.79Å; R15-V364 HydrophobicContact CB-CG1 4.47Å; R15-V364 HydrophobicContact CG-CG1 4.23Å
16T98.9Very high97.4Very high0 Ų019.6 Ų19.60%013%0.126CC..PPolyproline II helixtrans-67.5165.4161.665.40000110.1L33 V37 I205 G257 A258T16-L33 HydrophobicContact CG2-CD1 3.97Å; T16-L33 HydrophobicContact CG2-CG 4.45Å; T16-L33 WeakPolarHBondContact CG2-O 3.31Å; T16-V37 HydrophobicContact CG2-CG2 3.34Å; T16-I205 HydrophobicContact CG2-CD1 3.69Å; T16-I205 HydrophobicContact CG2-CG1 3.8Å; T16-G257 VanDerWaalsContact OG1-CA 3.26Å; T16-G257 WeakPolarHBondContact OG1-CA 3.3Å; T16-A258 HydrophobicContact CG2-CB 4.06Å; T16-A258 PolarHBondContact N-O 3.06Å; T16-A258 PolarHBondContact OG1-N 3.14Å; T16-A258 PolarHBondContact OG1-O 3.38Å
17P98.8Very high98Very high1 Ų119.3 Ų19.31%0.00613%0.132CC..PPolyproline II helixtrans-57.4158.7151.429.8-35.4000109.9L25 I202 V203 V216 T218 D219P17-L25 VanDerWaalsContact O-CD1 3.3Å; P17-L25 WeakPolarHBondContact O-CD1 3.33Å; P17-I202 HydrophobicContact CB-CG2 4.44Å; P17-V203 WeakPolarHBondContact CD-O 3.4Å; P17-V216 HydrophobicContact CB-CG1 4.48Å; P17-V216 HydrophobicContact CG-CB 4.43Å; P17-V216 HydrophobicContact CG-CG1 3.85Å; P17-T218 WeakPolarHBondContact CB-O 3.21Å; P17-D219 WeakPolarHBondContact CA-OD1 3.22Å
18I98.9Very high98.3Very high1 Ų117.9 Ų17.91%0.00512%0.122CC..PPolyproline II helixtrans-96.1120.5175-60.9163.9000108.6D219 E220 N255 L351 P354 M357 R361I18-D219 PolarHBondContact N-OD1 3.43Å; I18-E220 PolarHBondContact O-N 2.97Å; I18-N255 HydrophobicContact CG2-CB 3.61Å; I18-L351 WeakPolarHBondContact CB-O 3.49Å; I18-L351 HydrophobicContact CD1-CB 3.97Å; I18-L351 WeakPolarHBondContact CD1-O 3.33Å; I18-L351 WeakPolarHBondContact CG2-O 3.34Å; I18-P354 HydrophobicContact CG2-CG 3.85Å; I18-M357 HydrophobicContact CG1-CE 4.26Å; I18-R361 HydrophobicContact CD1-CG 4.15Å
19G98.7Very high98.3Very high1 Ų120.2 Ų20.21%0.0114%0.136CC..EExtended strand (participates in β ladder)trans-86.9150.9176.900000112N255 D256G19-N255 WeakPolarHBondContact O-CA 3.44Å; G19-N255 WeakPolarHBondContact O-CB 3.37Å; G19-N255 PolarHBondContact O-ND2 2.97Å; G19-D256 PolarHBondContact N-O 2.61Å; G19-D256 PolarHBondContact O-N 3.34Å; G19-D256 VanDerWaalsContact O-N 3.1Å
20C98.4Very high98.3Very high29 Ų2920.4 Ų20.420%0.19614%0.137CC..EExtended strand (participates in β ladder)trans-72.1159.5168.3-67.20000111.3S22 G23 E220C20-S22 PolarHBondContact O-N 3.33Å; C20-G23 WeakPolarHBondContact O-CA 3.35Å; C20-G23 PolarHBondContact O-N 3.39Å; C20-E220 HydrophobicContact CB-CG 4.37Å; C20-E220 PolarHBondContact N-OE2 3.42Å
21L98.4Very high98.2Very high78 Ų7824.8 Ų24.841%0.40815%0.154SC..THydrogen-bonded Turntrans-51.9124.4165.7176.960.8000110.4G23 S123 I254L21-G23 PolarHBondContact O-N 3.41Å; L21-S123 WeakPolarHBondContact CA-OG 3.47Å; L21-I254 HydrophobicContact CB-CB 4.1Å; L21-I254 HydrophobicContact CB-CG2 3.95Å; L21-I254 WeakPolarHBondContact CB-O 3.34Å; L21-I254 HydrophobicContact CD1-CG2 3.81Å; L21-I254 HydrophobicContact CD2-CB 4.26Å; L21-I254 HydrophobicContact CD2-CD1 4.32Å; L21-I254 HydrophobicContact CD2-CG2 4.06Å; L21-I254 HydrophobicContact CG-CG2 4.14Å; L21-I254 PolarHBondContact N-O 2.94Å
22S98.1Very high98.2Very high92 Ų9227.9 Ų27.964%0.64317%0.17SC*.THydrogen-bonded Turntrans57.522.7-175.4-56.80000114C20 S123C20-S22 PolarHBondContact O-N 3.33Å; S22-S123 PolarHBondContact N-OG 3.49Å
23G97.7Very high98.2Very high18 Ų1827.7 Ų27.719%0.18617%0.169CC..SBendtrans-95.5-145.4-178.500000113.5C20 L21 L25 S26C20-G23 WeakPolarHBondContact O-CA 3.35Å; C20-G23 PolarHBondContact O-N 3.39Å; L21-G23 PolarHBondContact O-N 3.41Å; G23-L25 VanDerWaalsContact C-N 3.25Å; G23-L25 PolarHBondContact O-N 2.92Å; G23-L25 VanDerWaalsContact O-N 3.12Å; G23-S26 WeakPolarHBondContact O-CB 3.4Å; G23-S26 PolarHBondContact O-N 3.14Å; G23-S26 PolarHBondContact O-OG 3.2Å
24A97.6Very high98.2Very high32 Ų3227.7 Ų27.726%0.26417%0.168SC..THydrogen-bonded Turntrans-60.4-27.3-167.200000115V207 V216 E220A24-V207 WeakPolarHBondContact O-CG2 3.36Å; A24-V216 HydrophobicContact CB-CG1 3.95Å; A24-V216 HydrophobicContact CB-CG2 4.16Å; A24-E220 WeakPolarHBondContact CB-OE2 3.33Å; A24-E220 PolarHBondContact N-OE1 3.21Å; A24-E220 PolarHBondContact N-OE2 3.43Å
25L98.4Very high98.2Very high1 Ų128.3 Ų28.31%0.00517%0.173CC..THydrogen-bonded Turntrans-103.8-2.8-176.4-57.6-178.5000113.7P17 G23 S27 L28 L33 I205 V207 V216 D256P17-L25 VanDerWaalsContact O-CD1 3.3Å; P17-L25 WeakPolarHBondContact O-CD1 3.33Å; G23-L25 VanDerWaalsContact C-N 3.25Å; G23-L25 PolarHBondContact O-N 2.92Å; G23-L25 VanDerWaalsContact O-N 3.12Å; L25-S27 PolarHBondContact O-N 3.19Å; L25-S27 VanDerWaalsContact O-N 3.13Å; L25-L28 HydrophobicContact CD2-CD1 4.23Å; L25-L28 WeakPolarHBondContact O-CB 3.31Å; L25-L28 PolarHBondContact O-N 3.15Å; L25-L28 VanDerWaalsContact O-N 3.07Å; L25-L33 HydrophobicContact CB-CD1 4.43Å; L25-L33 HydrophobicContact CD1-CD1 3.94Å; L25-I205 HydrophobicContact CD2-CB 4.37Å; L25-I205 HydrophobicContact CD2-CG2 4.27Å; L25-V207 HydrophobicContact CD2-CG2 4.19Å; L25-V216 HydrophobicContact CD2-CB 4.3Å; L25-V216 HydrophobicContact CD2-CG1 4.22Å; L25-D256 HydrophobicContact CB-CB 4.02Å
26S97.8Very high98.2Very high35 Ų3530.2 Ų30.225%0.24519%0.185CC..THydrogen-bonded Turntrans-65-23-167.160.40000114.7G23 R124G23-S26 WeakPolarHBondContact O-CB 3.4Å; G23-S26 PolarHBondContact O-N 3.14Å; G23-S26 PolarHBondContact O-OG 3.2Å; S26-R124 WeakPolarHBondContact O-CD 3.26Å; S26-R124 WeakPolarHBondContact O-CG 3.3Å
27S96.7Very high98.2Very high66 Ų6630.2 Ų30.246%0.46219%0.185SC..THydrogen-bonded Turntrans-81.1-15.3177.961.80000113.9L25 V207L25-S27 PolarHBondContact O-N 3.19Å; L25-S27 VanDerWaalsContact O-N 3.13Å; S27-V207 WeakPolarHBondContact OG-CG1 3.33Å
28L98.1Very high98.2Very high7 Ų730.2 Ų30.24%0.03719%0.185CC..SBendtrans-82.2137.8-173.3-62.9-176.9000112L25 D32 L33 R124 I205 V207L25-L28 HydrophobicContact CD2-CD1 4.23Å; L25-L28 WeakPolarHBondContact O-CB 3.31Å; L25-L28 PolarHBondContact O-N 3.15Å; L25-L28 VanDerWaalsContact O-N 3.07Å; L28-D32 HydrophobicContact CD2-CB 4.43Å; L28-L33 HydrophobicContact CB-CB 4.49Å; L28-L33 HydrophobicContact CD1-CD1 4.22Å; L28-R124 WeakPolarHBondContact O-CD 3.44Å; L28-R124 PolarHBondContact O-NE 2.82Å; L28-I205 HydrophobicContact CD1-CG2 3.33Å; L28-V207 HydrophobicContact CD1-CG2 4.05Å; L28-V207 HydrophobicContact CD2-CG2 4.45Å; L28-V207 HydrophobicContact CG-CG2 4.31Å
29T97.9Very high98.2Very high48 Ų4836.9 Ų36.929%0.29421%0.214SC..  trans-68.9159.1167.473.10000110.4R31 D32 L33T29-R31 PolarHBondContact O-N 3Å; T29-D32 PolarHBondContact O-N 3.02Å; T29-D32 PolarHBondContact OG1-N 3.21Å; T29-D32 PolarHBondContact OG1-OD2 3.36Å; T29-L33 WeakPolarHBondContact O-CB 3.42Å; T29-L33 PolarHBondContact O-N 2.66Å
30L97.8Very high98.2Very high4 Ų438.5 Ų38.52%0.02122%0.222CC..Hα-helixtrans-57.3-34.2174.2-72.7170.2000112.6L33 C34 H59 Q65 P69 M119L30-L33 PolarHBondContact O-N 3Å; L30-C34 VanDerWaalsContact O-CB 3.24Å; L30-C34 WeakPolarHBondContact O-CB 3.46Å; L30-C34 PolarHBondContact O-N 3.03Å; L30-H59 WeakPolarHBondContact CD1-CE1 3.47Å; L30-H59 WeakPolarHBondContact CD1-NE2 3.38Å; L30-Q65 HydrophobicContact CD1-CB 4.1Å; L30-Q65 HydrophobicContact CD1-CG 3.67Å; L30-P69 HydrophobicContact CD1-CB 4.26Å; L30-M119 HydrophobicContact CB-CE 4.46Å; L30-M119 HydrophobicContact CB-SD 4.05Å; L30-M119 HydrophobicContact CD2-CB 4.41Å; L30-M119 HydrophobicContact CD2-CG 4.1Å; L30-M119 HydrophobicContact CD2-SD 4.32Å
31R97.5Very high98.2Very high93 Ų9337.1 Ų37.135%0.35121%0.213SC..Hα-helixtrans-57.5-51.4172.7171.4-170.1-78.3-114.1-1110.7T29 L33 S35 Q72 A76T29-R31 PolarHBondContact O-N 3Å; R31-L33 VanDerWaalsContact C-N 3.31Å; R31-S35 WeakPolarHBondContact O-CB 3.49Å; R31-S35 PolarHBondContact O-N 3.07Å; R31-S35 PolarHBondContact O-OG 3.33Å; R31-Q72 HydrophobicContact CB-CB 4.39Å; R31-A76 HydrophobicContact CG-CB 3.46Å; R31-A76 VanDerWaalsContact CG-CB 3.46Å
32D97.8Very high98.2Very high75 Ų7533.6 Ų33.640%0.40120%0.195SC..Hα-helixtrans-75.1-23.7-175.7-53.9-40.6000112.4L28 T29 P36L28-D32 HydrophobicContact CD2-CB 4.43Å; T29-D32 PolarHBondContact O-N 3.02Å; T29-D32 PolarHBondContact OG1-N 3.21Å; T29-D32 PolarHBondContact OG1-OD2 3.36Å; D32-P36 WeakPolarHBondContact O-CD 3.27Å; D32-P36 VanDerWaalsContact O-CG 3.24Å; D32-P36 WeakPolarHBondContact O-CG 3.48Å
33L97.9Very high98.2Very high0 Ų037 Ų370%020%0.198CC..Hα-helixtrans-78.1-43.4175.5-175.965.9000112.4T16 L25 L28 T29 L30 R31 E120 A258T16-L33 HydrophobicContact CG2-CD1 3.97Å; T16-L33 HydrophobicContact CG2-CG 4.45Å; T16-L33 WeakPolarHBondContact CG2-O 3.31Å; L25-L33 HydrophobicContact CB-CD1 4.43Å; L25-L33 HydrophobicContact CD1-CD1 3.94Å; L28-L33 HydrophobicContact CB-CB 4.49Å; L28-L33 HydrophobicContact CD1-CD1 4.22Å; T29-L33 WeakPolarHBondContact O-CB 3.42Å; T29-L33 PolarHBondContact O-N 2.66Å; L30-L33 PolarHBondContact O-N 3Å; R31-L33 VanDerWaalsContact C-N 3.31Å; L33-E120 WeakPolarHBondContact CD2-O 3.36Å; L33-A258 HydrophobicContact CG-CB 4.26Å
34C98.7Very high98.2Very high0 Ų040.7 Ų40.70%021%0.206CC..Hα-helixtrans-91.3-35.7-172-173.50000113.4L30 P36 V37 I38 A73 M119 A258L30-C34 VanDerWaalsContact O-CB 3.24Å; L30-C34 WeakPolarHBondContact O-CB 3.46Å; L30-C34 PolarHBondContact O-N 3.03Å; C34-P36 VanDerWaalsContact C-CD 3.46Å; C34-V37 PolarHBondContact O-N 2.83Å; C34-V37 VanDerWaalsContact O-N 3.11Å; C34-I38 PolarHBondContact O-N 3.5Å; C34-I38 VanDerWaalsContact O-N 3.09Å; C34-A73 HydrophobicContact CB-CB 3.82Å; C34-M119 HydrophobicContact CB-CB 4.05Å; C34-M119 HydrophobicContact CB-CG 4.48Å; C34-M119 HydrophobicContact CB-SD 3.61Å; C34-A258 HydrophobicContact CB-CB 3.94Å
35S98.8Very high98.2Very high13 Ų1339.2 Ų39.29%0.09119%0.194CC..Hα-helixtrans-59.7-36.5-177.561.30000115.1R31 V37 I38 K39 A73 A77R31-S35 WeakPolarHBondContact O-CB 3.49Å; R31-S35 PolarHBondContact O-N 3.07Å; R31-S35 PolarHBondContact O-OG 3.33Å; S35-V37 VanDerWaalsContact C-N 3.3Å; S35-V37 PolarHBondContact O-N 3.31Å; S35-I38 PolarHBondContact O-N 2.76Å; S35-K39 WeakPolarHBondContact O-CB 3.24Å; S35-K39 PolarHBondContact O-N 2.77Å; S35-A73 WeakPolarHBondContact CB-O 3.29Å; S35-A77 WeakPolarHBondContact O-CB 3.32Å
36P98.8Very high98.2Very high41 Ų4146.9 Ų46.927%0.26623%0.23SC..Hα-helixtrans-63.1-37.7175.1-22.135.4000112.2D32 C34 K39 D40 I205D32-P36 WeakPolarHBondContact O-CD 3.27Å; D32-P36 VanDerWaalsContact O-CG 3.24Å; D32-P36 WeakPolarHBondContact O-CG 3.48Å; C34-P36 VanDerWaalsContact C-CD 3.46Å; P36-K39 PolarHBondContact O-N 2.99Å; P36-D40 VanDerWaalsContact O-CB 3.29Å; P36-D40 WeakPolarHBondContact O-CB 3.38Å; P36-D40 PolarHBondContact O-N 3.3Å; P36-I205 HydrophobicContact CB-CD1 3.86Å; P36-I205 HydrophobicContact CG-CD1 4.07Å
37V98.9Very high98.1Very high0 Ų045.5 Ų45.50%022%0.22CC..Hα-helixtrans-68.2-44.6178.9-171.90000110.8A14 T16 C34 S35 K39 D40 V41 A258 A260A14-V37 HydrophobicContact CB-CG1 4.32Å; A14-V37 WeakPolarHBondContact O-CG1 3.31Å; T16-V37 HydrophobicContact CG2-CG2 3.34Å; C34-V37 PolarHBondContact O-N 2.83Å; C34-V37 VanDerWaalsContact O-N 3.11Å; S35-V37 VanDerWaalsContact C-N 3.3Å; S35-V37 PolarHBondContact O-N 3.31Å; V37-K39 VanDerWaalsContact C-N 3.33Å; V37-K39 PolarHBondContact O-N 2.63Å; V37-D40 PolarHBondContact O-N 2.95Å; V37-V41 WeakPolarHBondContact O-CG1 3.39Å; V37-V41 WeakPolarHBondContact O-CG2 3.42Å; V37-V41 PolarHBondContact O-N 2.99Å; V37-A258 HydrophobicContact CG2-CB 4.26Å; V37-A260 HydrophobicContact CG1-CB 3.88Å
38I98.9Very high98.2Very high0 Ų048.3 Ų48.30%022%0.224CC..Hα-helixtrans-58.2-47.4175.5-67.1174.1000110.4C34 S35 D40 V41 L42 V55 I57 A73 A77 I79 V115C34-I38 PolarHBondContact O-N 3.5Å; C34-I38 VanDerWaalsContact O-N 3.09Å; S35-I38 PolarHBondContact O-N 2.76Å; I38-D40 VanDerWaalsContact C-N 3.3Å; I38-D40 PolarHBondContact O-N 3.25Å; I38-V41 VanDerWaalsContact O-CG2 3.25Å; I38-V41 WeakPolarHBondContact O-CG2 3.27Å; I38-V41 PolarHBondContact O-N 3.22Å; I38-L42 HydrophobicContact CG2-CD1 4.15Å; I38-L42 WeakPolarHBondContact O-CG 3.47Å; I38-L42 PolarHBondContact O-N 3.49Å; I38-L42 VanDerWaalsContact O-N 3.11Å; I38-V55 HydrophobicContact CD1-CG1 4.36Å; I38-I57 HydrophobicContact CD1-CD1 4.34Å; I38-A73 HydrophobicContact CD1-CB 4.11Å; I38-A77 HydrophobicContact CB-CB 3.7Å; I38-A77 HydrophobicContact CG2-CB 3.46Å; I38-A77 VanDerWaalsContact CG2-CB 3.46Å; I38-I79 HydrophobicContact CG2-CD1 3.73Å; I38-V115 HydrophobicContact CG1-CG1 4.14Å; I38-V115 HydrophobicContact CG2-CG1 4.16Å
39K98.9Very high98.2Very high141 Ų14149.9 Ų49.961%0.61323%0.234SC*.Hα-helixtrans-60.8-41.4178.7-174.4176.5-178177.70111.8S35 P36 V37 K43 A77S35-K39 WeakPolarHBondContact O-CB 3.24Å; S35-K39 PolarHBondContact O-N 2.77Å; P36-K39 PolarHBondContact O-N 2.99Å; V37-K39 VanDerWaalsContact C-N 3.33Å; V37-K39 PolarHBondContact O-N 2.63Å; K39-K43 WeakPolarHBondContact O-CB 3.5Å; K39-K43 PolarHBondContact O-N 3.46Å; K39-A77 HydrophobicContact CB-CB 4.44Å
40D98.9Very high98.2Very high35 Ų3553.1 Ų53.119%0.18725%0.246CC..Hα-helixtrans-69.3-43.1-178.7-167.9-107.3000112.2P36 V37 I38 L42 K43 R44 V203P36-D40 VanDerWaalsContact O-CB 3.29Å; P36-D40 WeakPolarHBondContact O-CB 3.38Å; P36-D40 PolarHBondContact O-N 3.3Å; V37-D40 PolarHBondContact O-N 2.95Å; I38-D40 VanDerWaalsContact C-N 3.3Å; I38-D40 PolarHBondContact O-N 3.25Å; D40-L42 PolarHBondContact O-N 3.45Å; D40-K43 WeakPolarHBondContact O-CB 3.42Å; D40-K43 PolarHBondContact O-N 2.88Å; D40-R44 VanDerWaalsContact O-CG 3.31Å; D40-R44 WeakPolarHBondContact O-CG 3.28Å; D40-R44 PolarHBondContact O-N 3.09Å; D40-R44 IonicContact OD1-CZ 3.04Å; D40-R44 IonicContact OD1-NE 2.63Å; D40-R44 PolarHBondContact OD1-NE 2.73Å; D40-R44 IonicContact OD1-NH2 2.77Å; D40-R44 PolarHBondContact OD1-NH2 2.84Å; D40-V203 HydrophobicContact CB-CG1 3.98Å; D40-V203 HydrophobicContact CB-CG2 3.75Å; D40-V203 VanDerWaalsContact OD1-CG2 3.26Å; D40-V203 WeakPolarHBondContact OD1-CG2 3.43Å
41V98.9Very high98.2Very high0 Ų056 Ų560%026%0.26CS..Hα-helixtrans-66.8-36177.3-61.60000112.5S12 A14 V37 I38 R44 A45 A260 V262S12-V41 WeakPolarHBondContact CB-O 3.45Å; S12-V41 WeakPolarHBondContact OG-CB 3.26Å; S12-V41 PolarHBondContact OG-O 3.46Å; A14-V41 HydrophobicContact CB-CG1 3.52Å; V37-V41 WeakPolarHBondContact O-CG1 3.39Å; V37-V41 WeakPolarHBondContact O-CG2 3.42Å; V37-V41 PolarHBondContact O-N 2.99Å; I38-V41 VanDerWaalsContact O-CG2 3.25Å; I38-V41 WeakPolarHBondContact O-CG2 3.27Å; I38-V41 PolarHBondContact O-N 3.22Å; V41-R44 PolarHBondContact O-N 3.13Å; V41-A45 VanDerWaalsContact O-CB 3.27Å; V41-A45 WeakPolarHBondContact O-CB 3.38Å; V41-A45 PolarHBondContact O-N 2.79Å; V41-A260 HydrophobicContact CG1-CB 4.25Å; V41-A260 HydrophobicContact CG2-CB 3.96Å; V41-V262 HydrophobicContact CB-CG2 3.95Å; V41-V262 HydrophobicContact CG2-CG2 3.75Å
42L98.8Very high98.3Very high5 Ų551.8 Ų51.83%0.02624%0.244CC..Hα-helixtrans-64.4-44.3172.7-72.2175.7000111.5I38 D40 R44 A45 E46 V47 V52 I79 V115 V262I38-L42 HydrophobicContact CG2-CD1 4.15Å; I38-L42 WeakPolarHBondContact O-CG 3.47Å; I38-L42 PolarHBondContact O-N 3.49Å; I38-L42 VanDerWaalsContact O-N 3.11Å; D40-L42 PolarHBondContact O-N 3.45Å; L42-R44 PolarHBondContact O-N 2.73Å; L42-A45 CarbonylContact O-C 3.58Å; L42-A45 PolarHBondContact O-N 3.45Å; L42-E46 PolarHBondContact O-N 3.41Å; L42-E46 VanDerWaalsContact O-N 3.09Å; L42-V47 HydrophobicContact CD2-CB 4.06Å; L42-V47 HydrophobicContact CD2-CG1 3.76Å; L42-V47 PolarHBondContact O-N 2.66Å; L42-V47 VanDerWaalsContact O-N 3.08Å; L42-V52 HydrophobicContact CD1-CG2 4.23Å; L42-V52 HydrophobicContact CD2-CG2 3.59Å; L42-I79 HydrophobicContact CD1-CD1 4.04Å; L42-I79 HydrophobicContact CD1-CG1 4Å; L42-V115 HydrophobicContact CD2-CG2 3.78Å; L42-V115 HydrophobicContact CG-CG2 4.23Å; L42-V262 HydrophobicContact CD2-CG2 4.04Å
43K98.5Very high98.3Very high162 Ų16249.9 Ų49.970%0.70424%0.237SC*.Hα-helixtrans-58.9-47.3175.4-178.5-174.1174.3-170.40111.6K39 D40 A45 E46K39-K43 WeakPolarHBondContact O-CB 3.5Å; K39-K43 PolarHBondContact O-N 3.46Å; D40-K43 WeakPolarHBondContact O-CB 3.42Å; D40-K43 PolarHBondContact O-N 2.88Å; K43-A45 VanDerWaalsContact C-N 3.27Å; K43-A45 PolarHBondContact O-N 3.23Å; K43-E46 PolarHBondContact O-N 2.69Å; K43-E46 VanDerWaalsContact O-N 3.15Å
44R97.8Very high98.4Very high96 Ų9650.9 Ų50.936%0.36224%0.242SC..Hα-helixtrans-63.7-32.2177.7-70178-165.7-153.23.7113.2D40 V41 L42 E46 Q200D40-R44 VanDerWaalsContact O-CG 3.31Å; D40-R44 WeakPolarHBondContact O-CG 3.28Å; D40-R44 PolarHBondContact O-N 3.09Å; D40-R44 IonicContact OD1-CZ 3.04Å; D40-R44 IonicContact OD1-NE 2.63Å; D40-R44 PolarHBondContact OD1-NE 2.73Å; D40-R44 IonicContact OD1-NH2 2.77Å; D40-R44 PolarHBondContact OD1-NH2 2.84Å; V41-R44 PolarHBondContact O-N 3.13Å; L42-R44 PolarHBondContact O-N 2.73Å; R44-E46 VanDerWaalsContact C-N 3.28Å; R44-Q200 PolarHBondContact NH1-O 3.01Å; R44-Q200 PolarHBondContact NH2-O 2.93Å
45A97.4Very high98.4Very high1 Ų150.9 Ų50.91%0.00824%0.242CC..THydrogen-bonded Turntrans-81.7-6.1177.400000113.3V11 V41 L42 K43 V47 V262V11-A45 HydrophobicContact CG2-CB 3.63Å; V41-A45 VanDerWaalsContact O-CB 3.27Å; V41-A45 WeakPolarHBondContact O-CB 3.38Å; V41-A45 PolarHBondContact O-N 2.79Å; L42-A45 CarbonylContact O-C 3.58Å; L42-A45 PolarHBondContact O-N 3.45Å; K43-A45 VanDerWaalsContact C-N 3.27Å; K43-A45 PolarHBondContact O-N 3.23Å; A45-V47 HydrophobicContact CB-CB 4.28Å; A45-V47 HydrophobicContact CB-CG2 3.85Å; A45-V47 PolarHBondContact O-N 2.94Å; A45-V262 HydrophobicContact CB-CB 4.06Å; A45-V262 HydrophobicContact CB-CG1 4.03Å; A45-V262 HydrophobicContact CB-CG2 4.08Å
46E96.9Very high98.4Very high162 Ų16250.3 Ų50.376%0.75724%0.238SC*.THydrogen-bonded Turntrans54.233.7-172-56.2-175.7158.900112.7L42 K43 R44L42-E46 PolarHBondContact O-N 3.41Å; L42-E46 VanDerWaalsContact O-N 3.09Å; K43-E46 PolarHBondContact O-N 2.69Å; K43-E46 VanDerWaalsContact O-N 3.15Å; R44-E46 VanDerWaalsContact C-N 3.28Å
47V97.4Very high98.4Very high7 Ų748.4 Ų48.44%0.04223%0.225CC..  trans-101.4129.5179.2169.80000109.2L42 A45 E51 V52 V113 V262 M264L42-V47 HydrophobicContact CD2-CB 4.06Å; L42-V47 HydrophobicContact CD2-CG1 3.76Å; L42-V47 PolarHBondContact O-N 2.66Å; L42-V47 VanDerWaalsContact O-N 3.08Å; A45-V47 HydrophobicContact CB-CB 4.28Å; A45-V47 HydrophobicContact CB-CG2 3.85Å; A45-V47 PolarHBondContact O-N 2.94Å; V47-E51 HydrophobicContact CG1-CB 4.17Å; V47-V52 HydrophobicContact CG1-CG2 4.32Å; V47-V113 HydrophobicContact CG1-CG1 3.95Å; V47-V113 HydrophobicContact CG2-CG1 4.41Å; V47-V262 HydrophobicContact CG2-CG1 4.42Å; V47-M264 HydrophobicContact CG2-CE 4.03Å
48K98Very high98.4Very high124 Ų12448.4 Ų48.454%0.53923%0.225SC..  trans-77.3146.7173.8-56.3-176.4-175.51740110.7E50 E51K48-E50 VanDerWaalsContact CB-CD 3.49Å; K48-E50 HydrophobicContact CB-CG 4.29Å; K48-E50 WeakPolarHBondContact CB-OE2 3.4Å; K48-E50 WeakPolarHBondContact CD-OE1 3.37Å; K48-E50 PolarHBondContact O-N 3.08Å; K48-E50 VanDerWaalsContact O-N 3.15Å; K48-E51 HydrophobicContact CB-CG 4.12Å; K48-E51 PolarHBondContact N-OE2 3.24Å; K48-E51 WeakPolarHBondContact O-CB 3.49Å; K48-E51 PolarHBondContact O-N 3.02Å
49P98.5Very high98.4Very high40 Ų4048.4 Ų48.426%0.2623%0.225SC..G310 helixtrans-57.2-32.6-177-24.333.7000114.5E51 V52 G78 I79 P80P49-E51 PolarHBondContact O-N 3.11Å; P49-V52 PolarHBondContact O-N 2.89Å; P49-G78 VanDerWaalsContact CB-O 3.26Å; P49-G78 WeakPolarHBondContact CB-O 3.39Å; P49-I79 HydrophobicContact CB-CB 4.48Å; P49-I79 HydrophobicContact CB-CG1 4.11Å; P49-P80 WeakPolarHBondContact O-CD 3.48Å
50E98.1Very high98.4Very high116 Ų11642 Ų4254%0.54220%0.198SC..G310 helixtrans-70.3-13.7176.763.3-90.5-15500114.9K48 P80K48-E50 VanDerWaalsContact CB-CD 3.49Å; K48-E50 HydrophobicContact CB-CG 4.29Å; K48-E50 WeakPolarHBondContact CB-OE2 3.4Å; K48-E50 WeakPolarHBondContact CD-OE1 3.37Å; K48-E50 PolarHBondContact O-N 3.08Å; K48-E50 VanDerWaalsContact O-N 3.15Å; E50-P80 HydrophobicContact CB-CG 4.06Å
51E97.3Very high98.3Very high65 Ų6540.4 Ų40.430%0.30419%0.189SC..G310 helixtrans-89.5-8.8178.6-58.3-178.9109.600112.7V47 K48 P49 S53 R272V47-E51 HydrophobicContact CG1-CB 4.17Å; K48-E51 HydrophobicContact CB-CG 4.12Å; K48-E51 PolarHBondContact N-OE2 3.24Å; K48-E51 WeakPolarHBondContact O-CB 3.49Å; K48-E51 PolarHBondContact O-N 3.02Å; P49-E51 PolarHBondContact O-N 3.11Å; E51-S53 PolarHBondContact O-N 2.9Å; E51-R272 IonicContact OE1-CZ 3.28Å; E51-R272 VanDerWaalsContact OE1-CZ 3.28Å; E51-R272 IonicContact OE1-NH1 2.79Å; E51-R272 PolarHBondContact OE1-NH1 2.83Å; E51-R272 IonicContact OE1-NH2 2.89Å; E51-R272 PolarHBondContact OE1-NH2 2.85Å; E51-R272 IonicContact OE2-CZ 3.87Å; E51-R272 IonicContact OE2-NH1 2.96Å; E51-R272 PolarHBondContact OE2-NH1 2.93Å; E51-R272 IonicContact OE2-NH2 3.97Å
52V98.6Very high98.3Very high5 Ų544 Ų443%0.0321%0.211CC..  trans-70.8125.4177-178.90000109.3L42 V47 P49 E54 V55 I79 V83 V115L42-V52 HydrophobicContact CD1-CG2 4.23Å; L42-V52 HydrophobicContact CD2-CG2 3.59Å; V47-V52 HydrophobicContact CG1-CG2 4.32Å; P49-V52 PolarHBondContact O-N 2.89Å; V52-E54 VanDerWaalsContact CG1-O 3.29Å; V52-E54 WeakPolarHBondContact CG1-O 3.44Å; V52-V55 HydrophobicContact CG1-CG2 3.98Å; V52-I79 HydrophobicContact CG1-CD1 4.49Å; V52-I79 HydrophobicContact CG2-CD1 4.39Å; V52-V83 HydrophobicContact CB-CG1 4.22Å; V52-V83 HydrophobicContact CG1-CG1 3.97Å; V52-V83 VanDerWaalsContact O-CG1 3.29Å; V52-V83 WeakPolarHBondContact O-CG1 3.38Å; V52-V83 VanDerWaalsContact O-CG2 3.23Å; V52-V83 WeakPolarHBondContact O-CG2 3.37Å; V52-V115 HydrophobicContact CG1-CG2 4.04Å; V52-V115 HydrophobicContact CG2-CG2 4.16Å
53S98.6Very high98.2Very high34 Ų3445 Ų4524%0.23822%0.22CC..  trans-77.6-43.7177.3-49.60000111.5E51 P84 S111 T112 V113E51-S53 PolarHBondContact O-N 2.9Å; S53-P84 VanDerWaalsContact O-CD 3.27Å; S53-P84 WeakPolarHBondContact O-CD 3.47Å; S53-P84 WeakPolarHBondContact O-CG 3.31Å; S53-S111 WeakPolarHBondContact CB-OG 3.49Å; S53-T112 PolarHBondContact OG-N 2.94Å; S53-V113 WeakPolarHBondContact CB-O 3.2Å; S53-V113 PolarHBondContact N-O 3.41Å; S53-V113 PolarHBondContact OG-N 3.33Å; S53-V113 PolarHBondContact OG-O 3.37Å
54E98.8Very high98.1Very high22 Ų2241 Ų4110%0.10323%0.226CC..EExtended strand (participates in β ladder)trans-157.3163.6175.465.5175.2142.400112.6V52 I56 P84 W86 S105 S111 V114 V115V52-E54 VanDerWaalsContact CG1-O 3.29Å; V52-E54 WeakPolarHBondContact CG1-O 3.44Å; E54-I56 HydrophobicContact CG-CD1 4.4Å; E54-I56 HydrophobicContact CG-CG1 4.25Å; E54-P84 WeakPolarHBondContact CA-O 3.38Å; E54-P84 HydrophobicContact CB-CG 3.96Å; E54-W86 PolarHBondContact OE2-NE1 3.19Å; E54-S105 WeakPolarHBondContact OE1-CB 3.48Å; E54-S105 PolarHBondContact OE1-OG 2.71Å; E54-S111 PolarHBondContact OE1-OG 2.96Å; E54-V114 HydrophobicContact CG-CB 4.47Å; E54-V114 HydrophobicContact CG-CG1 3.96Å; E54-V114 HydrophobicContact CG-CG2 3.89Å; E54-V115 PolarHBondContact O-N 2.66Å; E54-V115 VanDerWaalsContact O-N 3.13Å
55V98.9Very high98Very high0 Ų037.7 Ų37.70%021%0.214CC..EExtended strand (participates in β ladder)trans-122.6123.6174.6-176.40000110.6I38 V52 I57 I79 P84 A85 W86 V115I38-V55 HydrophobicContact CD1-CG1 4.36Å; V52-V55 HydrophobicContact CG1-CG2 3.98Å; V55-I57 HydrophobicContact CG1-CD1 4.03Å; V55-I57 HydrophobicContact CG1-CG1 3.87Å; V55-I79 HydrophobicContact CG2-CD1 3.54Å; V55-P84 PolarHBondContact N-O 2.79Å; V55-A85 HydrophobicContact CB-CB 3.78Å; V55-A85 HydrophobicContact CG2-CB 4.46Å; V55-A85 CarbonylContact O-C 3.53Å; V55-A85 VanDerWaalsContact O-CA 3.24Å; V55-A85 WeakPolarHBondContact O-CA 3.38Å; V55-W86 PolarHBondContact O-N 2.79Å; V55-V115 CarbonylContact C-O 3.57Å; V55-V115 WeakPolarHBondContact CA-O 3.39Å; V55-V115 HydrophobicContact CG1-CB 4.19Å; V55-V115 HydrophobicContact CG1-CG1 4.29Å; V55-V115 HydrophobicContact CG2-CB 4.17Å
56I98.9Very high98Very high1 Ų140.3 Ų40.31%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-121.2113.5-178-46.4176.9000109.4E54 W86 A98 L101 V114 V115 A116 G117E54-I56 HydrophobicContact CG-CD1 4.4Å; E54-I56 HydrophobicContact CG-CG1 4.25Å; I56-W86 WeakPolarHBondContact CA-O 3.29Å; I56-W86 HydrophobicContact CB-CZ2 4.36Å; I56-W86 HydrophobicContact CD1-CH2 4.37Å; I56-W86 HydrophobicContact CD1-CZ2 3.57Å; I56-W86 HydrophobicContact CG1-CZ2 3.73Å; I56-W86 HydrophobicContact CG2-CD2 4.25Å; I56-W86 HydrophobicContact CG2-CE3 4.24Å; I56-W86 HydrophobicContact CG2-CH2 3.79Å; I56-W86 HydrophobicContact CG2-CZ2 3.75Å; I56-W86 HydrophobicContact CG2-CZ3 4.02Å; I56-A98 HydrophobicContact CB-CB 4.39Å; I56-A98 HydrophobicContact CG2-CB 3.88Å; I56-L101 HydrophobicContact CD1-CB 4.01Å; I56-L101 HydrophobicContact CG2-CB 4.43Å; I56-L101 HydrophobicContact CG2-CD1 4.47Å; I56-V114 HydrophobicContact CD1-CG1 4.04Å; I56-V114 HydrophobicContact CG1-CG1 4.14Å; I56-V115 PolarHBondContact N-O 3.22Å; I56-A116 VanDerWaalsContact O-CA 3.3Å; I56-A116 WeakPolarHBondContact O-CA 3.46Å; I56-G117 PolarHBondContact O-N 3.19Å
57I98.9Very high98.1Very high0 Ų041.3 Ų41.30%025%0.246CC..EExtended strand (participates in β ladder)trans-122.1121.7-176.9-55.2-64.6000111.3I38 V55 A70 W86 S87 C88 M119I38-I57 HydrophobicContact CD1-CD1 4.34Å; V55-I57 HydrophobicContact CG1-CD1 4.03Å; V55-I57 HydrophobicContact CG1-CG1 3.87Å; I57-A70 HydrophobicContact CB-CB 3.79Å; I57-A70 HydrophobicContact CG1-CB 4.01Å; I57-W86 PolarHBondContact N-O 2.79Å; I57-S87 WeakPolarHBondContact O-CA 3.39Å; I57-S87 VanDerWaalsContact O-CB 3.25Å; I57-S87 WeakPolarHBondContact O-CB 3.41Å; I57-C88 PolarHBondContact O-N 3.43Å; I57-M119 HydrophobicContact CG2-CB 4.21Å; I57-M119 HydrophobicContact CG2-CE 3.96Å; I57-M119 HydrophobicContact CG2-CG 3.63Å; I57-M119 HydrophobicContact CG2-SD 3.92Å
58G98.9Very high98.1Very high0 Ų044 Ų440%026%0.26CS..EExtended strand (participates in β ladder)trans-64.8129168.800000112C88 G117 G118 M119G58-C88 WeakPolarHBondContact CA-O 3.47Å; G58-G117 PolarHBondContact N-O 3.47Å; G58-G118 CarbonylContact O-C 3.59Å; G58-G118 VanDerWaalsContact O-CA 3.24Å; G58-G118 WeakPolarHBondContact O-CA 3.45Å; G58-M119 PolarHBondContact O-N 3.06Å
59H98.8Very high98.1Very high1 Ų138.5 Ų38.51%0.00524%0.237CC..  trans-157.4131.5-179.2178.9-152000110.3L30 L61 C88 Q89 M119 E120L30-H59 WeakPolarHBondContact CD1-CE1 3.47Å; L30-H59 WeakPolarHBondContact CD1-NE2 3.38Å; H59-L61 PolarHBondContact NE2-O 3.37Å; H59-C88 PolarHBondContact N-O 3.15Å; H59-Q89 WeakPolarHBondContact O-CG 3.48Å; H59-M119 HydrophobicContact CB-CE 4.19Å; H59-M119 HydrophobicContact CB-CG 4.4Å; H59-E120 IonicContact CD2-OE1 3.86Å; H59-E120 PolarHBondContact CD2-OE1 2.96Å; H59-E120 VanDerWaalsContact CD2-OE1 3.29Å; H59-E120 IonicContact CD2-OE2 2.87Å; H59-E120 IonicContact NE2-OE1 3.93Å
60V98.8Very high98.1Very high6 Ų636.6 Ų36.64%0.03622%0.224CC..SBendtrans-106.3-52.9-174.4-1710000112.1T62 Q89 V91 E120 I355V60-T62 VanDerWaalsContact C-N 3.31Å; V60-T62 PolarHBondContact O-N 2.97Å; V60-Q89 HydrophobicContact CB-CG 4.41Å; V60-Q89 HydrophobicContact CG1-CG 4.27Å; V60-Q89 HydrophobicContact CG2-CG 4.38Å; V60-V91 WeakPolarHBondContact CG2-O 3.34Å; V60-E120 VanDerWaalsContact CB-OE2 3.29Å; V60-E120 WeakPolarHBondContact CB-OE2 3.42Å; V60-E120 PolarHBondContact N-OE2 3.2Å; V60-I355 HydrophobicContact CB-CD1 3.7Å; V60-I355 HydrophobicContact CB-CG1 3.96Å; V60-I355 HydrophobicContact CG1-CD1 3.71Å; V60-I355 HydrophobicContact CG1-CG1 4.48Å; V60-I355 HydrophobicContact CG2-CB 4.49Å; V60-I355 HydrophobicContact CG2-CD1 4.06Å; V60-I355 HydrophobicContact CG2-CG1 3.94Å
61L98.5Very high98.2Very high1 Ų133.8 Ų33.81%0.00521%0.209CC..  trans-86.370.8-171.3-57.4177.3000111.7H59 A63 E120 M122 A125 M146 D149 I355H59-L61 PolarHBondContact NE2-O 3.37Å; L61-A63 VanDerWaalsContact C-N 3.34Å; L61-A63 PolarHBondContact O-N 2.89Å; L61-E120 WeakPolarHBondContact CB-OE1 3.3Å; L61-E120 PolarHBondContact N-OE1 3.05Å; L61-M122 HydrophobicContact CD1-CB 4.3Å; L61-M122 HydrophobicContact CD1-CG 3.95Å; L61-A125 HydrophobicContact CD1-CB 3.94Å; L61-M146 HydrophobicContact CD1-CB 4.1Å; L61-M146 HydrophobicContact CD1-CG 3.96Å; L61-D149 HydrophobicContact CD2-CB 4.1Å; L61-I355 HydrophobicContact CD1-CD1 4.37Å; L61-I355 HydrophobicContact CD2-CD1 4.28Å; L61-I355 HydrophobicContact CG-CD1 4.11Å
62T97.5Very high98.3Very high75 Ų7533.1 Ų33.146%0.4621%0.206SC..  trans-78.1-12.1-170.862.50000115.3V60 G64 Q65V60-T62 VanDerWaalsContact C-N 3.31Å; V60-T62 PolarHBondContact O-N 2.97Å; T62-G64 PolarHBondContact O-N 2.97Å; T62-Q65 PolarHBondContact O-N 3.35Å
63A97.5Very high98.3Very high26 Ų2632.9 Ų32.922%0.21520%0.204CC..THydrogen-bonded Turntrans-59.2126.7-175.400000112L61 Q65 P126 T128L61-A63 VanDerWaalsContact C-N 3.34Å; L61-A63 PolarHBondContact O-N 2.89Å; A63-Q65 PolarHBondContact O-N 3.44Å; A63-P126 HydrophobicContact CB-CG 3.81Å; A63-P126 WeakPolarHBondContact O-CD 3.49Å; A63-T128 HydrophobicContact CB-CG2 4.43Å
64G95.1Very high98.3Very high80 Ų8031.2 Ų31.283%0.82519%0.193SC*.THydrogen-bonded Turntrans72.94.7175.800000115.9T62 G66T62-G64 PolarHBondContact O-N 2.97Å; G64-G66 VanDerWaalsContact C-N 3.27Å; G64-G66 PolarHBondContact O-N 3.31Å
65Q97Very high98.3Very high25 Ų2531.6 Ų31.612%0.11720%0.196CC..SBendtrans-85.66.1-176.1-56.8-61-23.900114.2L30 T62 A63 P69 Q72L30-Q65 HydrophobicContact CD1-CB 4.1Å; L30-Q65 HydrophobicContact CD1-CG 3.67Å; T62-Q65 PolarHBondContact O-N 3.35Å; A63-Q65 PolarHBondContact O-N 3.44Å; Q65-P69 HydrophobicContact CB-CG 3.62Å; Q65-Q72 PolarHBondContact O-NE2 3.41Å
66G97.1Very high98.3Very high56 Ų5633.5 Ų33.558%0.57721%0.212SC*.  trans76.2-173.4-176.400000113.7G64 N68G64-G66 VanDerWaalsContact C-N 3.27Å; G64-G66 PolarHBondContact O-N 3.31Å; G66-N68 PolarHBondContact O-N 3.06Å
67Q98.2Very high98.3Very high183 Ų18333.9 Ų33.986%0.85522%0.215SC*.SBendtrans-70.5125-178.6-69-177.1-7.300110.8Q72Q67-Q72 PolarHBondContact O-NE2 3.21Å
68N98.4Very high98.2Very high63 Ų6336.1 Ų36.134%0.33724%0.239SC..  trans42.977.8171.1-171.3-9.4000114.2G66 A70 R71 Q72 A85G66-N68 PolarHBondContact O-N 3.06Å; N68-A70 PolarHBondContact O-N 2.83Å; N68-A70 PolarHBondContact OD1-N 2.97Å; N68-R71 HydrophobicContact CB-CB 3.95Å; N68-R71 VanDerWaalsContact CG-CB 3.4Å; N68-R71 WeakPolarHBondContact ND2-CB 3.39Å; N68-R71 WeakPolarHBondContact O-CA 3.3Å; N68-R71 WeakPolarHBondContact O-CB 3.25Å; N68-R71 PolarHBondContact O-N 3Å; N68-R71 PolarHBondContact OD1-N 2.91Å; N68-R71 VanDerWaalsContact OD1-N 3.1Å; N68-Q72 PolarHBondContact O-N 3.03Å; N68-Q72 VanDerWaalsContact O-N 3.09Å; N68-A85 PolarHBondContact ND2-O 3.38Å
69P98.5Very high98.2Very high9 Ų936.3 Ų36.36%0.05824%0.24CC..Hα-helixtrans-56.5-32.4-179.6-29.939000114.4L30 Q65 R71 Q72 A73 M119L30-P69 HydrophobicContact CD1-CB 4.26Å; Q65-P69 HydrophobicContact CB-CG 3.62Å; P69-R71 VanDerWaalsContact C-N 3.31Å; P69-R71 PolarHBondContact O-N 2.86Å; P69-Q72 WeakPolarHBondContact O-CB 3.34Å; P69-Q72 PolarHBondContact O-N 3.04Å; P69-A73 PolarHBondContact O-N 3.39Å; P69-M119 HydrophobicContact CB-CE 3.48Å; P69-M119 VanDerWaalsContact CB-CE 3.48Å
70A98.8Very high98.2Very high0 Ų038.5 Ų38.50%025%0.254CS..Hα-helixtrans-60.7-42.317500000111.4I57 N68 A73 S74 W86I57-A70 HydrophobicContact CB-CB 3.79Å; I57-A70 HydrophobicContact CG1-CB 4.01Å; N68-A70 PolarHBondContact O-N 2.83Å; N68-A70 PolarHBondContact OD1-N 2.97Å; A70-A73 PolarHBondContact O-N 3.44Å; A70-S74 WeakPolarHBondContact O-CB 3.43Å; A70-S74 PolarHBondContact O-N 3.44Å; A70-W86 VanDerWaalsContact CB-O 3.29Å; A70-W86 WeakPolarHBondContact CB-O 3.45Å
71R98.8Very high98.2Very high58 Ų5846.9 Ų46.922%0.21929%0.286CS..Hα-helixtrans-65.2-40.4173.5177.757.3171.8-173.9-26.3113N68 P69 A73 S74 V75 P80 Y81 V83 A85N68-R71 HydrophobicContact CB-CB 3.95Å; N68-R71 VanDerWaalsContact CG-CB 3.4Å; N68-R71 WeakPolarHBondContact ND2-CB 3.39Å; N68-R71 WeakPolarHBondContact O-CA 3.3Å; N68-R71 WeakPolarHBondContact O-CB 3.25Å; N68-R71 PolarHBondContact O-N 3Å; N68-R71 PolarHBondContact OD1-N 2.91Å; N68-R71 VanDerWaalsContact OD1-N 3.1Å; P69-R71 VanDerWaalsContact C-N 3.31Å; P69-R71 PolarHBondContact O-N 2.86Å; R71-A73 VanDerWaalsContact C-N 3.34Å; R71-A73 PolarHBondContact O-N 3.36Å; R71-S74 PolarHBondContact O-N 3.14Å; R71-V75 WeakPolarHBondContact O-CG2 3.49Å; R71-V75 PolarHBondContact O-N 3.47Å; R71-P80 PolarHBondContact NH1-O 3.35Å; R71-Y81 VanDerWaalsContact NH2-C 3.27Å; R71-Y81 VanDerWaalsContact NH2-CA 3.28Å; R71-Y81 PolarHBondContact NH2-O 3.38Å; R71-V83 PolarHBondContact NH1-O 3.21Å; R71-A85 HydrophobicContact CB-CB 4.08Å
72Q98.8Very high98.2Very high50 Ų5054.9 Ų54.923%0.23433%0.328CS..Hα-helixtrans-60.7-44.4176.1-62.9179.549.600111.6R31 Q65 Q67 N68 P69 A76R31-Q72 HydrophobicContact CB-CB 4.39Å; Q65-Q72 PolarHBondContact O-NE2 3.41Å; Q67-Q72 PolarHBondContact O-NE2 3.21Å; N68-Q72 PolarHBondContact O-N 3.03Å; N68-Q72 VanDerWaalsContact O-N 3.09Å; P69-Q72 WeakPolarHBondContact O-CB 3.34Å; P69-Q72 PolarHBondContact O-N 3.04Å; Q72-A76 VanDerWaalsContact O-CB 3.26Å; Q72-A76 WeakPolarHBondContact O-CB 3.46Å; Q72-A76 PolarHBondContact O-N 3.45Å
73A98.8Very high98.3Very high0 Ų051.9 Ų51.90%031%0.31CS..Hα-helixtrans-66.9-43.817700000112.5C34 S35 I38 P69 A70 R71 A76 A77C34-A73 HydrophobicContact CB-CB 3.82Å; S35-A73 WeakPolarHBondContact CB-O 3.29Å; I38-A73 HydrophobicContact CD1-CB 4.11Å; P69-A73 PolarHBondContact O-N 3.39Å; A70-A73 PolarHBondContact O-N 3.44Å; R71-A73 VanDerWaalsContact C-N 3.34Å; R71-A73 PolarHBondContact O-N 3.36Å; A73-A76 PolarHBondContact O-N 2.94Å; A73-A77 WeakPolarHBondContact O-CB 3.46Å; A73-A77 PolarHBondContact O-N 3.38Å
74S98.9Very high98.4Very high0 Ų054 Ų540%032%0.321CS..Hα-helixtrans-54.7-53.6175.9166.40000111.9A70 R71 A76 A77 I79A70-S74 WeakPolarHBondContact O-CB 3.43Å; A70-S74 PolarHBondContact O-N 3.44Å; R71-S74 PolarHBondContact O-N 3.14Å; S74-A76 PolarHBondContact O-N 3.42Å; S74-A77 WeakPolarHBondContact O-CB 3.44Å; S74-A77 PolarHBondContact O-N 2.75Å; S74-I79 WeakPolarHBondContact O-CB 3.21Å; S74-I79 PolarHBondContact O-N 2.88Å
75V98.8Very high98.5Very high29 Ų2950.6 Ų50.618%0.17629%0.285CS..Hα-helixtrans-64.6-41.9179.5171.70000111.3R71 A77 G78 Y81R71-V75 WeakPolarHBondContact O-CG2 3.49Å; R71-V75 PolarHBondContact O-N 3.47Å; V75-A77 PolarHBondContact O-N 2.86Å; V75-G78 PolarHBondContact O-N 2.84Å; V75-Y81 HydrophobicContact CB-CE1 4.29Å; V75-Y81 HydrophobicContact CG1-CD1 4.21Å; V75-Y81 HydrophobicContact CG1-CE1 3.48Å; V75-Y81 VanDerWaalsContact CG1-CE1 3.48Å; V75-Y81 HydrophobicContact CG2-CD1 3.75Å; V75-Y81 HydrophobicContact CG2-CE1 3.76Å
76A98.8Very high98.6Very high40 Ų4053.6 Ų53.633%0.33130%0.296SS..Hα-helixtrans-64.5-25.6177.900000113.1R31 Q72 A73 S74 G78R31-A76 HydrophobicContact CG-CB 3.46Å; R31-A76 VanDerWaalsContact CG-CB 3.46Å; Q72-A76 VanDerWaalsContact O-CB 3.26Å; Q72-A76 WeakPolarHBondContact O-CB 3.46Å; Q72-A76 PolarHBondContact O-N 3.45Å; A73-A76 PolarHBondContact O-N 2.94Å; S74-A76 PolarHBondContact O-N 3.42Å; A76-G78 PolarHBondContact O-N 2.87Å
77A98.8Very high98.7Very high9 Ų953.2 Ų53.27%0.07428%0.284CS..THydrogen-bonded Turntrans-76.2-4.7173.100000113.4S35 I38 K39 A73 S74 V75S35-A77 WeakPolarHBondContact O-CB 3.32Å; I38-A77 HydrophobicContact CB-CB 3.7Å; I38-A77 HydrophobicContact CG2-CB 3.46Å; I38-A77 VanDerWaalsContact CG2-CB 3.46Å; K39-A77 HydrophobicContact CB-CB 4.44Å; A73-A77 WeakPolarHBondContact O-CB 3.46Å; A73-A77 PolarHBondContact O-N 3.38Å; S74-A77 WeakPolarHBondContact O-CB 3.44Å; S74-A77 PolarHBondContact O-N 2.75Å; V75-A77 PolarHBondContact O-N 2.86Å
78G98.6Very high98.7Very high48 Ų4845.2 Ų45.250%0.49525%0.248SC..THydrogen-bonded Turntrans93.78-178.700000114.4P49 V75 A76P49-G78 VanDerWaalsContact CB-O 3.26Å; P49-G78 WeakPolarHBondContact CB-O 3.39Å; V75-G78 PolarHBondContact O-N 2.84Å; A76-G78 PolarHBondContact O-N 2.87Å
79I98.8Very high98.7Very high3 Ų347.5 Ų47.52%0.01526%0.257CS..  trans-73.1130.7175.2-59.9174.2000109.3I38 L42 P49 V52 V55 S74 V83 V115I38-I79 HydrophobicContact CG2-CD1 3.73Å; L42-I79 HydrophobicContact CD1-CD1 4.04Å; L42-I79 HydrophobicContact CD1-CG1 4Å; P49-I79 HydrophobicContact CB-CB 4.48Å; P49-I79 HydrophobicContact CB-CG1 4.11Å; V52-I79 HydrophobicContact CG1-CD1 4.49Å; V52-I79 HydrophobicContact CG2-CD1 4.39Å; V55-I79 HydrophobicContact CG2-CD1 3.54Å; S74-I79 WeakPolarHBondContact O-CB 3.21Å; S74-I79 PolarHBondContact O-N 2.88Å; I79-V83 HydrophobicContact CG2-CB 3.52Å; I79-V83 HydrophobicContact CG2-CG1 3.7Å; I79-V83 HydrophobicContact CG2-CG2 3.65Å; I79-V115 HydrophobicContact CD1-CG2 4.5Å
80P98.7Very high98.7Very high47 Ų4747.9 Ų47.931%0.30526%0.258SS..  trans-61.8157.1-174.8-24.434000114.3P49 E50 R71 L82 V83P49-P80 WeakPolarHBondContact O-CD 3.48Å; E50-P80 HydrophobicContact CB-CG 4.06Å; R71-P80 PolarHBondContact NH1-O 3.35Å; P80-L82 PolarHBondContact O-N 3.47Å; P80-L82 VanDerWaalsContact O-N 3.09Å; P80-V83 PolarHBondContact O-N 3.17Å; P80-V83 VanDerWaalsContact O-N 3.08Å
81Y98.8Very high98.7Very high183 Ų18348.9 Ų48.972%0.71826%0.264SS*.THydrogen-bonded Turntrans-61.9-17.7175.6-65.1-55.8000114.4R71 V75 V83R71-Y81 VanDerWaalsContact NH2-C 3.27Å; R71-Y81 VanDerWaalsContact NH2-CA 3.28Å; R71-Y81 PolarHBondContact NH2-O 3.38Å; V75-Y81 HydrophobicContact CB-CE1 4.29Å; V75-Y81 HydrophobicContact CG1-CD1 4.21Å; V75-Y81 HydrophobicContact CG1-CE1 3.48Å; V75-Y81 VanDerWaalsContact CG1-CE1 3.48Å; V75-Y81 HydrophobicContact CG2-CD1 3.75Å; V75-Y81 HydrophobicContact CG2-CE1 3.76Å; Y81-V83 VanDerWaalsContact C-N 3.3Å
82L98.3Very high98.7Very high169 Ų16946.8 Ų46.889%0.88526%0.258SS*.THydrogen-bonded Turntrans-74-22.5176.4-69.5170.2000113P80P80-L82 PolarHBondContact O-N 3.47Å; P80-L82 VanDerWaalsContact O-N 3.09Å
83V98.8Very high98.7Very high11 Ų1144.4 Ų44.47%0.06725%0.247CC..SBendtrans-81123.7-178.2-179.80000109.7V52 R71 I79 P80 Y81V52-V83 HydrophobicContact CB-CG1 4.22Å; V52-V83 HydrophobicContact CG1-CG1 3.97Å; V52-V83 VanDerWaalsContact O-CG1 3.29Å; V52-V83 WeakPolarHBondContact O-CG1 3.38Å; V52-V83 VanDerWaalsContact O-CG2 3.23Å; V52-V83 WeakPolarHBondContact O-CG2 3.37Å; R71-V83 PolarHBondContact NH1-O 3.21Å; I79-V83 HydrophobicContact CG2-CB 3.52Å; I79-V83 HydrophobicContact CG2-CG1 3.7Å; I79-V83 HydrophobicContact CG2-CG2 3.65Å; P80-V83 PolarHBondContact O-N 3.17Å; P80-V83 VanDerWaalsContact O-N 3.08Å; Y81-V83 VanDerWaalsContact C-N 3.3Å
84P98.8Very high98.7Very high70 Ų7044.4 Ų44.446%0.45525%0.247SC..  trans-66.5147.7174.426.9-35.2000112.1S53 E54 V55S53-P84 VanDerWaalsContact O-CD 3.27Å; S53-P84 WeakPolarHBondContact O-CD 3.47Å; S53-P84 WeakPolarHBondContact O-CG 3.31Å; E54-P84 WeakPolarHBondContact CA-O 3.38Å; E54-P84 HydrophobicContact CB-CG 3.96Å; V55-P84 PolarHBondContact N-O 2.79Å
85A98.9Very high98.7Very high9 Ų944.4 Ų44.47%0.07425%0.247CC..EExtended strand (participates in β ladder)trans-145.8138.517400000110.3V55 N68 R71V55-A85 HydrophobicContact CB-CB 3.78Å; V55-A85 HydrophobicContact CG2-CB 4.46Å; V55-A85 CarbonylContact O-C 3.53Å; V55-A85 VanDerWaalsContact O-CA 3.24Å; V55-A85 WeakPolarHBondContact O-CA 3.38Å; N68-A85 PolarHBondContact ND2-O 3.38Å; R71-A85 HydrophobicContact CB-CB 4.08Å
86W98.9Very high98.7Very high89 Ų8943 Ų4334%0.33724%0.239SC..EExtended strand (participates in β ladder)trans-154.6166.3-174.559.3-83.7000111.6E54 V55 I56 I57 A70 C88 L101E54-W86 PolarHBondContact OE2-NE1 3.19Å; V55-W86 PolarHBondContact O-N 2.79Å; I56-W86 WeakPolarHBondContact CA-O 3.29Å; I56-W86 HydrophobicContact CB-CZ2 4.36Å; I56-W86 HydrophobicContact CD1-CH2 4.37Å; I56-W86 HydrophobicContact CD1-CZ2 3.57Å; I56-W86 HydrophobicContact CG1-CZ2 3.73Å; I56-W86 HydrophobicContact CG2-CD2 4.25Å; I56-W86 HydrophobicContact CG2-CE3 4.24Å; I56-W86 HydrophobicContact CG2-CH2 3.79Å; I56-W86 HydrophobicContact CG2-CZ2 3.75Å; I56-W86 HydrophobicContact CG2-CZ3 4.02Å; I57-W86 PolarHBondContact N-O 2.79Å; A70-W86 VanDerWaalsContact CB-O 3.29Å; A70-W86 WeakPolarHBondContact CB-O 3.45Å; W86-C88 HydrophobicContact CZ3-CB 3.94Å; W86-L101 HydrophobicContact CH2-CB 4.27Å; W86-L101 HydrophobicContact CH2-CD1 3.76Å; W86-L101 HydrophobicContact CH2-CD2 4.34Å; W86-L101 HydrophobicContact CH2-CG 4.34Å; W86-L101 HydrophobicContact CZ3-CD1 4.19Å
87S98.7Very high98.7Very high47 Ų4742.4 Ų42.433%0.32923%0.229SC..EExtended strand (participates in β ladder)trans-114.7144.3-179.158.10000112.3I57I57-S87 WeakPolarHBondContact O-CA 3.39Å; I57-S87 VanDerWaalsContact O-CB 3.25Å; I57-S87 WeakPolarHBondContact O-CB 3.41Å
88C98.8Very high98.7Very high15 Ų1542 Ų4210%0.10123%0.225CC..EExtended strand (participates in β ladder)trans-111.1149.8166.6650000110.5I57 G58 H59 W86 S94 L101I57-C88 PolarHBondContact O-N 3.43Å; G58-C88 WeakPolarHBondContact CA-O 3.47Å; H59-C88 PolarHBondContact N-O 3.15Å; W86-C88 HydrophobicContact CZ3-CB 3.94Å; C88-S94 PolarHBondContact SG-O 3.16Å; C88-L101 HydrophobicContact CB-CD1 3.77Å
89Q98.6Very high98.7Very high111 Ų11139.7 Ų39.752%0.51920%0.201SC..  trans-126.2118176.5-160.1-85.274.400108.9H59 V60H59-Q89 WeakPolarHBondContact O-CG 3.48Å; V60-Q89 HydrophobicContact CB-CG 4.41Å; V60-Q89 HydrophobicContact CG1-CG 4.27Å; V60-Q89 HydrophobicContact CG2-CG 4.38Å
90M98.6Very high98.7Very high17 Ų1739.6 Ų39.68%0.08420%0.201CC..  trans-142.846.4172.4-160.8-173.2-179.100109C92 G93 S94 K97 Q285 I384 M388M90-C92 PolarHBondContact O-N 3.32Å; M90-G93 CarbonylContact O-C 3.43Å; M90-G93 VanDerWaalsContact O-CA 3.3Å; M90-G93 WeakPolarHBondContact O-CA 3.26Å; M90-G93 PolarHBondContact O-N 2.88Å; M90-S94 PolarHBondContact N-OG 2.71Å; M90-S94 PolarHBondContact O-N 2.75Å; M90-K97 HydrophobicContact CB-CB 4.34Å; M90-K97 HydrophobicContact CB-CG 4.42Å; M90-K97 HydrophobicContact SD-CB 4.1Å; M90-K97 HydrophobicContact SD-CD 4.24Å; M90-K97 HydrophobicContact SD-CG 4.01Å; M90-Q285 HydrophobicContact CE-CB 4.1Å; M90-I384 HydrophobicContact CE-CD1 3.6Å; M90-I384 HydrophobicContact CG-CD1 4Å; M90-I384 HydrophobicContact CG-CG2 4.48Å; M90-I384 WeakPolarHBondContact O-CG2 3.16Å; M90-I384 HydrophobicContact SD-CD1 3.86Å; M90-M388 HydrophobicContact CE-CB 4.21Å; M90-M388 HydrophobicContact CE-CE 4.38Å; M90-M388 HydrophobicContact CE-CG 4.47Å; M90-M388 HydrophobicContact CE-SD 3.57Å; M90-M388 VanDerWaalsContact CE-SD 3.57Å; M90-M388 HydrophobicContact CG-CE 4.35Å
91V98.4Very high98.7Very high22 Ų2239.1 Ų39.113%0.13320%0.196CC..G310 helixtrans41.8-124.3-173.6-161.30000110.7V60 G93 S94 I384V60-V91 WeakPolarHBondContact CG2-O 3.34Å; V91-G93 PolarHBondContact O-N 3.32Å; V91-G93 VanDerWaalsContact O-N 3.11Å; V91-S94 PolarHBondContact N-OG 2.79Å; V91-S94 WeakPolarHBondContact O-CB 3.25Å; V91-S94 PolarHBondContact O-N 2.75Å; V91-S94 PolarHBondContact O-OG 2.84Å; V91-I384 HydrophobicContact CB-CG2 3.82Å; V91-I384 HydrophobicContact CG2-CG2 4.21Å
92C98.1Very high98.7Very high13 Ų1330.4 Ų30.49%0.08816%0.162CC..G310 helixtrans-59-24.8179.1-540000113.5M90 S94 H353 I355 C383M90-C92 PolarHBondContact O-N 3.32Å; C92-S94 VanDerWaalsContact C-N 3.35Å; C92-H353 PolarHBondContact SG-NE2 3.44Å; C92-I355 WeakPolarHBondContact CA-O 3.18Å; C92-C383 WeakPolarHBondContact CB-O 3.38Å
93G98.5Very high98.7Very high0 Ų022.4 Ų22.40%012%0.119CC..G310 helixtrans-82.5-7.5179.600000114.3M90 V91 G95 L96 K97M90-G93 CarbonylContact O-C 3.43Å; M90-G93 VanDerWaalsContact O-CA 3.3Å; M90-G93 WeakPolarHBondContact O-CA 3.26Å; M90-G93 PolarHBondContact O-N 2.88Å; V91-G93 PolarHBondContact O-N 3.32Å; V91-G93 VanDerWaalsContact O-N 3.11Å; G93-G95 PolarHBondContact O-N 2.95Å; G93-L96 PolarHBondContact O-N 3.02Å; G93-L96 VanDerWaalsContact O-N 3.16Å; G93-K97 WeakPolarHBondContact O-CB 3.41Å; G93-K97 PolarHBondContact O-N 3.4Å
94S98.9Very high98.7Very high0 Ų025.5 Ų25.50%013%0.133CC..Hα-helixtrans-52.8-50.1-171.6-56.60000112.9C88 M90 V91 C92 L96 K97 A98C88-S94 PolarHBondContact SG-O 3.16Å; M90-S94 PolarHBondContact N-OG 2.71Å; M90-S94 PolarHBondContact O-N 2.75Å; V91-S94 PolarHBondContact N-OG 2.79Å; V91-S94 WeakPolarHBondContact O-CB 3.25Å; V91-S94 PolarHBondContact O-N 2.75Å; V91-S94 PolarHBondContact O-OG 2.84Å; C92-S94 VanDerWaalsContact C-N 3.35Å; S94-L96 PolarHBondContact O-N 3.46Å; S94-K97 PolarHBondContact O-N 3.02Å; S94-A98 PolarHBondContact O-N 3.24Å
95G98.9Very high98.7Very high0 Ų022.9 Ų22.90%012%0.117CC..Hα-helixtrans-63.9-37-178.100000114G93 G117 G356G93-G95 PolarHBondContact O-N 2.95Å; G95-G117 WeakPolarHBondContact CA-O 3.44Å; G95-G356 WeakPolarHBondContact CA-O 3.38Å; G95-G356 PolarHBondContact N-O 2.97Å; G95-G356 VanDerWaalsContact N-O 3.1Å
96L98.9Very high98.6Very high0 Ų022.7 Ų22.70%011%0.114CC..Hα-helixtrans-76.7-36.1176.4-168.658.9000110.9G93 S94 A98 V99 C100 L363 A380 L382 V390 M392G93-L96 PolarHBondContact O-N 3.02Å; G93-L96 VanDerWaalsContact O-N 3.16Å; S94-L96 PolarHBondContact O-N 3.46Å; L96-A98 VanDerWaalsContact C-N 3.29Å; L96-A98 PolarHBondContact O-N 3.17Å; L96-V99 WeakPolarHBondContact O-CB 3.14Å; L96-V99 PolarHBondContact O-N 2.8Å; L96-V99 VanDerWaalsContact O-N 3.14Å; L96-C100 PolarHBondContact O-N 3.37Å; L96-C100 VanDerWaalsContact O-N 3.08Å; L96-C100 PolarHBondContact O-SG 2.9Å; L96-C100 VanDerWaalsContact O-SG 3.38Å; L96-L363 HydrophobicContact CD1-CB 4.07Å; L96-L363 HydrophobicContact CD1-CD2 3.84Å; L96-L363 HydrophobicContact CD1-CG 4.49Å; L96-A380 HydrophobicContact CD2-CB 4.49Å; L96-L382 HydrophobicContact CB-CD1 4.17Å; L96-L382 HydrophobicContact CD2-CD1 3.77Å; L96-V390 HydrophobicContact CB-CG1 4.36Å; L96-V390 HydrophobicContact CD2-CG1 4.05Å; L96-V390 HydrophobicContact CD2-CG2 4.11Å; L96-V390 HydrophobicContact CG-CG2 4.36Å; L96-M392 HydrophobicContact CD1-CB 4.06Å; L96-M392 HydrophobicContact CD1-CE 4.04Å; L96-M392 HydrophobicContact CD1-SD 4.16Å; L96-M392 HydrophobicContact CD2-CB 4.23Å; L96-M392 HydrophobicContact CG-CB 4.42Å
97K98.9Very high98.5Very high28 Ų2822 Ų2212%0.12212%0.115CC..Hα-helixtrans-63.2-36176.4179.956.8-175.51720111.7M90 G93 S94 V99 C100 L101M90-K97 HydrophobicContact CB-CB 4.34Å; M90-K97 HydrophobicContact CB-CG 4.42Å; M90-K97 HydrophobicContact SD-CB 4.1Å; M90-K97 HydrophobicContact SD-CD 4.24Å; M90-K97 HydrophobicContact SD-CG 4.01Å; G93-K97 WeakPolarHBondContact O-CB 3.41Å; G93-K97 PolarHBondContact O-N 3.4Å; S94-K97 PolarHBondContact O-N 3.02Å; K97-V99 VanDerWaalsContact C-N 3.3Å; K97-V99 PolarHBondContact O-N 2.91Å; K97-C100 HydrophobicContact CD-CB 4.32Å; K97-C100 WeakPolarHBondContact O-CB 3.39Å; K97-C100 PolarHBondContact O-N 2.86Å; K97-L101 HydrophobicContact CD-CD1 4.3Å; K97-L101 HydrophobicContact CD-CG 4.28Å; K97-L101 HydrophobicContact CG-CD1 3.92Å; K97-L101 HydrophobicContact CG-CG 4.41Å; K97-L101 WeakPolarHBondContact O-CD1 3.49Å; K97-L101 VanDerWaalsContact O-CG 3.3Å; K97-L101 WeakPolarHBondContact O-CG 3.36Å; K97-L101 PolarHBondContact O-N 3.42Å
98A98.9Very high98.4Very high0 Ų023 Ų230%013%0.126CC..Hα-helixtrans-57.5-42.7172.100000112I56 S94 L96 L101 G102 G117I56-A98 HydrophobicContact CB-CB 4.39Å; I56-A98 HydrophobicContact CG2-CB 3.88Å; S94-A98 PolarHBondContact O-N 3.24Å; L96-A98 VanDerWaalsContact C-N 3.29Å; L96-A98 PolarHBondContact O-N 3.17Å; A98-L101 PolarHBondContact O-N 2.98Å; A98-G102 PolarHBondContact O-N 3.36Å; A98-G117 WeakPolarHBondContact CB-O 3.49Å
99V98.9Very high98.2Very high0 Ų025.5 Ų25.50%015%0.154CC..Hα-helixtrans-65.1-41.6175.9-174.30000111.2L96 K97 L101 G102 A103 A116 L263 I280 L363 M392L96-V99 WeakPolarHBondContact O-CB 3.14Å; L96-V99 PolarHBondContact O-N 2.8Å; L96-V99 VanDerWaalsContact O-N 3.14Å; K97-V99 VanDerWaalsContact C-N 3.3Å; K97-V99 PolarHBondContact O-N 2.91Å; V99-L101 VanDerWaalsContact C-N 3.32Å; V99-L101 PolarHBondContact O-N 3.01Å; V99-G102 PolarHBondContact O-N 2.98Å; V99-A103 WeakPolarHBondContact O-CB 3.17Å; V99-A103 PolarHBondContact O-N 2.9Å; V99-A116 HydrophobicContact CB-CB 4.45Å; V99-A116 HydrophobicContact CG2-CB 4.12Å; V99-L263 HydrophobicContact CG1-CD1 4Å; V99-L263 HydrophobicContact CG1-CD2 4.02Å; V99-L263 WeakPolarHBondContact O-CD1 3.21Å; V99-I280 HydrophobicContact CG1-CD1 3.97Å; V99-L363 HydrophobicContact CB-CD2 4.33Å; V99-L363 HydrophobicContact CG1-CD2 3.93Å; V99-L363 HydrophobicContact CG2-CD2 4.04Å; V99-M392 HydrophobicContact CB-CE 3.95Å; V99-M392 HydrophobicContact CG1-CE 3.7Å; V99-M392 HydrophobicContact CG1-SD 4.06Å
100C98.8Very high98.1Very high0 Ų027.7 Ų27.70%016%0.164CC..Hα-helixtrans-59.7-42.3173-60.10000111.9L96 K97 A103 Q104 W283 M392L96-C100 PolarHBondContact O-N 3.37Å; L96-C100 VanDerWaalsContact O-N 3.08Å; L96-C100 PolarHBondContact O-SG 2.9Å; L96-C100 VanDerWaalsContact O-SG 3.38Å; K97-C100 HydrophobicContact CD-CB 4.32Å; K97-C100 WeakPolarHBondContact O-CB 3.39Å; K97-C100 PolarHBondContact O-N 2.86Å; C100-A103 PolarHBondContact O-N 3.42Å; C100-Q104 WeakPolarHBondContact O-CB 3.45Å; C100-Q104 VanDerWaalsContact O-CG 3.22Å; C100-Q104 WeakPolarHBondContact O-CG 3.23Å; C100-Q104 PolarHBondContact O-N 2.99Å; C100-W283 HydrophobicContact CB-CG 4.23Å; C100-M392 WeakPolarHBondContact SG-CE 3.31Å
101L98.9Very high98Very high38 Ų3827.5 Ų27.520%0.19917%0.165CC..Hα-helixtrans-67.4-41.3-179.8-72.5159.1000111.6I56 W86 C88 K97 A98 V99 A103 Q104 S105I56-L101 HydrophobicContact CD1-CB 4.01Å; I56-L101 HydrophobicContact CG2-CB 4.43Å; I56-L101 HydrophobicContact CG2-CD1 4.47Å; W86-L101 HydrophobicContact CH2-CB 4.27Å; W86-L101 HydrophobicContact CH2-CD1 3.76Å; W86-L101 HydrophobicContact CH2-CD2 4.34Å; W86-L101 HydrophobicContact CH2-CG 4.34Å; W86-L101 HydrophobicContact CZ3-CD1 4.19Å; C88-L101 HydrophobicContact CB-CD1 3.77Å; K97-L101 HydrophobicContact CD-CD1 4.3Å; K97-L101 HydrophobicContact CD-CG 4.28Å; K97-L101 HydrophobicContact CG-CD1 3.92Å; K97-L101 HydrophobicContact CG-CG 4.41Å; K97-L101 WeakPolarHBondContact O-CD1 3.49Å; K97-L101 VanDerWaalsContact O-CG 3.3Å; K97-L101 WeakPolarHBondContact O-CG 3.36Å; K97-L101 PolarHBondContact O-N 3.42Å; A98-L101 PolarHBondContact O-N 2.98Å; V99-L101 VanDerWaalsContact C-N 3.32Å; V99-L101 PolarHBondContact O-N 3.01Å; L101-A103 VanDerWaalsContact C-N 3.34Å; L101-Q104 WeakPolarHBondContact O-CB 3.34Å; L101-Q104 PolarHBondContact O-N 3.4Å; L101-Q104 VanDerWaalsContact O-N 3.15Å; L101-S105 PolarHBondContact O-N 3.09Å
102G98.8Very high97.8Very high0 Ų029.6 Ų29.60%018%0.178CC..Hα-helixtrans-65.8-37174.600000112.6A98 V99 Q104 S105 I106A98-G102 PolarHBondContact O-N 3.36Å; V99-G102 PolarHBondContact O-N 2.98Å; G102-Q104 VanDerWaalsContact C-N 3.32Å; G102-S105 PolarHBondContact O-N 3.12Å; G102-S105 PolarHBondContact O-OG 2.96Å; G102-S105 VanDerWaalsContact O-OG 3.11Å; G102-I106 WeakPolarHBondContact O-CG1 3.43Å; G102-I106 PolarHBondContact O-N 3.11Å; G102-I106 VanDerWaalsContact O-N 3.15Å
103A98.6Very high97.8Very high0 Ų029 Ų290%017%0.174CC..Hα-helixtrans-65.1-37.6171.300000112.1V8 V99 C100 L101 Q107 I280 W283V8-A103 HydrophobicContact CB-CB 4.23Å; V8-A103 HydrophobicContact CG1-CB 4.05Å; V8-A103 HydrophobicContact CG2-CB 4.22Å; V99-A103 WeakPolarHBondContact O-CB 3.17Å; V99-A103 PolarHBondContact O-N 2.9Å; C100-A103 PolarHBondContact O-N 3.42Å; L101-A103 VanDerWaalsContact C-N 3.34Å; A103-Q107 WeakPolarHBondContact O-CB 3.44Å; A103-Q107 VanDerWaalsContact O-CG 3.27Å; A103-Q107 WeakPolarHBondContact O-CG 3.44Å; A103-Q107 PolarHBondContact O-N 3.45Å; A103-I280 HydrophobicContact CB-CD1 3.98Å; A103-W283 HydrophobicContact CB-CH2 4.36Å; A103-W283 HydrophobicContact CB-CZ3 4.31Å
104Q98.4Very high97.8Very high76 Ų7629 Ų2936%0.35517%0.174SC..Hα-helixtrans-65.4-41.8176.3-75.3173.7-43.900112.3C100 L101 G102 Q107 A108 W283C100-Q104 WeakPolarHBondContact O-CB 3.45Å; C100-Q104 VanDerWaalsContact O-CG 3.22Å; C100-Q104 WeakPolarHBondContact O-CG 3.23Å; C100-Q104 PolarHBondContact O-N 2.99Å; L101-Q104 WeakPolarHBondContact O-CB 3.34Å; L101-Q104 PolarHBondContact O-N 3.4Å; L101-Q104 VanDerWaalsContact O-N 3.15Å; G102-Q104 VanDerWaalsContact C-N 3.32Å; Q104-Q107 PolarHBondContact O-N 2.9Å; Q104-A108 WeakPolarHBondContact O-CB 3.29Å; Q104-A108 PolarHBondContact O-N 3.45Å; Q104-W283 HydrophobicContact CG-CH2 4.31Å; Q104-W283 HydrophobicContact CG-CZ2 3.58Å
105S98.3Very high97.8Very high16 Ų1629 Ų2911%0.11217%0.174CC..Hα-helixtrans-67.9-38.1178.664.50000112.3E54 L101 G102 A108 G109 E110 S111E54-S105 WeakPolarHBondContact OE1-CB 3.48Å; E54-S105 PolarHBondContact OE1-OG 2.71Å; L101-S105 PolarHBondContact O-N 3.09Å; G102-S105 PolarHBondContact O-N 3.12Å; G102-S105 PolarHBondContact O-OG 2.96Å; G102-S105 VanDerWaalsContact O-OG 3.11Å; S105-A108 PolarHBondContact O-N 2.7Å; S105-G109 PolarHBondContact O-N 3Å; S105-E110 PolarHBondContact O-N 3.44Å; S105-S111 PolarHBondContact O-N 2.93Å
106I97.7Very high97.8Very high4 Ų429 Ų292%0.02117%0.174CC..Hα-helixtrans-63.3-47.8172.3-65164.3000111.2V8 G102 A108 G109 S111 V114 L263V8-I106 HydrophobicContact CG1-CD1 3.9Å; V8-I106 HydrophobicContact CG2-CB 3.99Å; V8-I106 HydrophobicContact CG2-CG2 3.81Å; G102-I106 WeakPolarHBondContact O-CG1 3.43Å; G102-I106 PolarHBondContact O-N 3.11Å; G102-I106 VanDerWaalsContact O-N 3.15Å; I106-A108 PolarHBondContact O-N 3.17Å; I106-G109 PolarHBondContact O-N 3.07Å; I106-S111 WeakPolarHBondContact CA-O 3.26Å; I106-V114 HydrophobicContact CD1-CB 4.32Å; I106-V114 HydrophobicContact CD1-CG2 3.97Å; I106-V114 HydrophobicContact CG1-CG2 3.87Å; I106-L263 HydrophobicContact CD1-CB 3.66Å
107Q96.1Very high97.8Very high75 Ų7529 Ų2935%0.3517%0.174SC..Hα-helixtrans-63.6-27.5178.6-75.8179.5-10.100113.7V8 A103 Q104 G109V8-Q107 HydrophobicContact CG2-CG 3.75Å; A103-Q107 WeakPolarHBondContact O-CB 3.44Å; A103-Q107 VanDerWaalsContact O-CG 3.27Å; A103-Q107 WeakPolarHBondContact O-CG 3.44Å; A103-Q107 PolarHBondContact O-N 3.45Å; Q104-Q107 PolarHBondContact O-N 2.9Å; Q107-G109 VanDerWaalsContact C-N 3.27Å
108A96Very high97.8Very high69 Ų6927.7 Ų27.757%0.5717%0.168SC*.THydrogen-bonded Turntrans-78.6-10.617500000113.1Q104 S105 I106 E110Q104-A108 WeakPolarHBondContact O-CB 3.29Å; Q104-A108 PolarHBondContact O-N 3.45Å; S105-A108 PolarHBondContact O-N 2.7Å; I106-A108 PolarHBondContact O-N 3.17Å; A108-E110 VanDerWaalsContact C-N 3.31Å; A108-E110 HydrophobicContact CB-CG 4.07Å
109G95Very high97.8Very high67 Ų6727.7 Ų27.769%0.69117%0.168SC*.THydrogen-bonded Turntrans79.79.9-175.700000114.3S105 I106 Q107S105-G109 PolarHBondContact O-N 3Å; I106-G109 PolarHBondContact O-N 3.07Å; Q107-G109 VanDerWaalsContact C-N 3.27Å
110E96.2Very high97.8Very high156 Ų15627.7 Ų27.773%0.72917%0.168SC*.SBendtrans-84-17.8-179.1-63.5-64.2155.300112.6S105 A108S105-E110 PolarHBondContact O-N 3.44Å; A108-E110 VanDerWaalsContact C-N 3.31Å; A108-E110 HydrophobicContact CB-CG 4.07Å
111S97.1Very high97.8Very high13 Ų1327.8 Ų27.89%0.09117%0.169CC..  trans-146.4149.4-177.9-770000111.9S53 E54 S105 I106S53-S111 WeakPolarHBondContact CB-OG 3.49Å; E54-S111 PolarHBondContact OE1-OG 2.96Å; S105-S111 PolarHBondContact O-N 2.93Å; I106-S111 WeakPolarHBondContact CA-O 3.26Å
112T94.7Very high97.8Very high66 Ų6626.2 Ų26.241%0.40516%0.16SC..SBendtrans-108.7-40.2179.3-52.40000111.4S53 M264 E268S53-T112 PolarHBondContact OG-N 2.94Å; T112-M264 WeakPolarHBondContact O-CA 3.29Å; T112-E268 HydrophobicContact CG2-CB 4.03Å; T112-E268 HydrophobicContact CG2-CG 3.58Å
113V97.9Very high97.8Very high1 Ų127.5 Ų27.51%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-132.2121.9177.9-178.50000109.1V47 S53 V262 L263 M264V47-V113 HydrophobicContact CG1-CG1 3.95Å; V47-V113 HydrophobicContact CG2-CG1 4.41Å; S53-V113 WeakPolarHBondContact CB-O 3.2Å; S53-V113 PolarHBondContact N-O 3.41Å; S53-V113 PolarHBondContact OG-N 3.33Å; S53-V113 PolarHBondContact OG-O 3.37Å; V113-V262 HydrophobicContact CG1-CG1 3.86Å; V113-L263 WeakPolarHBondContact CA-O 3.21Å; V113-M264 HydrophobicContact CG2-CB 4.45Å
114V98.9Very high97.8Very high0 Ų032 Ų320%019%0.187CC..EExtended strand (participates in β ladder)trans-122.6130.4-178.2-179.80000109.7E54 I56 I106 A116 L263E54-V114 HydrophobicContact CG-CB 4.47Å; E54-V114 HydrophobicContact CG-CG1 3.96Å; E54-V114 HydrophobicContact CG-CG2 3.89Å; I56-V114 HydrophobicContact CD1-CG1 4.04Å; I56-V114 HydrophobicContact CG1-CG1 4.14Å; I106-V114 HydrophobicContact CD1-CB 4.32Å; I106-V114 HydrophobicContact CD1-CG2 3.97Å; I106-V114 HydrophobicContact CG1-CG2 3.87Å; V114-A116 HydrophobicContact CG1-CB 4.34Å; V114-L263 HydrophobicContact CB-CB 4.34Å; V114-L263 PolarHBondContact N-O 3.24Å; V114-L263 PolarHBondContact O-N 2.99Å
115V98.9Very high97.8Very high0 Ų029.2 Ų29.20%018%0.176CC..EExtended strand (participates in β ladder)trans-88.9117.4164.3179.10000107.7I38 L42 V52 E54 V55 I56 I79 A260 T261 V262I38-V115 HydrophobicContact CG1-CG1 4.14Å; I38-V115 HydrophobicContact CG2-CG1 4.16Å; L42-V115 HydrophobicContact CD2-CG2 3.78Å; L42-V115 HydrophobicContact CG-CG2 4.23Å; V52-V115 HydrophobicContact CG1-CG2 4.04Å; V52-V115 HydrophobicContact CG2-CG2 4.16Å; E54-V115 PolarHBondContact O-N 2.66Å; E54-V115 VanDerWaalsContact O-N 3.13Å; V55-V115 CarbonylContact C-O 3.57Å; V55-V115 WeakPolarHBondContact CA-O 3.39Å; V55-V115 HydrophobicContact CG1-CB 4.19Å; V55-V115 HydrophobicContact CG1-CG1 4.29Å; V55-V115 HydrophobicContact CG2-CB 4.17Å; I56-V115 PolarHBondContact N-O 3.22Å; I79-V115 HydrophobicContact CD1-CG2 4.5Å; V115-A260 HydrophobicContact CG1-CB 4.4Å; V115-T261 WeakPolarHBondContact CA-O 3.15Å; V115-V262 HydrophobicContact CG2-CG2 4.44Å
116A98.9Very high97.7Very high0 Ų030.5 Ų30.50%019%0.185CC..EExtended strand (participates in β ladder)trans-127.1139.5-179.100000111.4I56 V99 V114 A260 T261 L263I56-A116 VanDerWaalsContact O-CA 3.3Å; I56-A116 WeakPolarHBondContact O-CA 3.46Å; V99-A116 HydrophobicContact CB-CB 4.45Å; V99-A116 HydrophobicContact CG2-CB 4.12Å; V114-A116 HydrophobicContact CG1-CB 4.34Å; A116-A260 CarbonylContact O-C 3.55Å; A116-T261 PolarHBondContact N-O 3.34Å; A116-T261 PolarHBondContact O-N 3.35Å; A116-T261 PolarHBondContact O-OG1 3.29Å; A116-L263 HydrophobicContact CB-CD1 3.93Å; A116-L263 HydrophobicContact CB-CG 4.35Å
117G98.8Very high97.8Very high0 Ų035.5 Ų35.50%021%0.208CC..EExtended strand (participates in β ladder)trans-179.4-152.6-178.900000114.4I56 G58 G95 A98 A259I56-G117 PolarHBondContact O-N 3.19Å; G58-G117 PolarHBondContact N-O 3.47Å; G95-G117 WeakPolarHBondContact CA-O 3.44Å; A98-G117 WeakPolarHBondContact CB-O 3.49Å; G117-A259 CarbonylContact C-O 3.47Å; G117-A259 VanDerWaalsContact CA-O 3.25Å; G117-A259 WeakPolarHBondContact CA-O 3.24Å
118G98.9Very high97.8Very high0 Ų033.8 Ų33.80%020%0.202CC..EExtended strand (participates in β ladder)trans-154.2155.1176.500000112.4G58 A258 A259 G356G58-G118 CarbonylContact O-C 3.59Å; G58-G118 VanDerWaalsContact O-CA 3.24Å; G58-G118 WeakPolarHBondContact O-CA 3.45Å; G118-A258 CarbonylContact O-C 3.53Å; G118-A258 WeakPolarHBondContact O-CA 3.4Å; G118-A259 PolarHBondContact N-O 3.16Å; G118-A259 PolarHBondContact O-N 3.33Å; G118-A259 VanDerWaalsContact O-O 3.13Å; G118-G356 WeakPolarHBondContact CA-O 3.38Å
119M98.8Very high97.8Very high0 Ų034 Ų340%019%0.193CC..EExtended strand (participates in β ladder)trans-142.4151.6175.666.8-173.9174.400110.2L30 C34 I57 G58 H59 P69 G257 A258L30-M119 HydrophobicContact CB-CE 4.46Å; L30-M119 HydrophobicContact CB-SD 4.05Å; L30-M119 HydrophobicContact CD2-CB 4.41Å; L30-M119 HydrophobicContact CD2-CG 4.1Å; L30-M119 HydrophobicContact CD2-SD 4.32Å; C34-M119 HydrophobicContact CB-CB 4.05Å; C34-M119 HydrophobicContact CB-CG 4.48Å; C34-M119 HydrophobicContact CB-SD 3.61Å; I57-M119 HydrophobicContact CG2-CB 4.21Å; I57-M119 HydrophobicContact CG2-CE 3.96Å; I57-M119 HydrophobicContact CG2-CG 3.63Å; I57-M119 HydrophobicContact CG2-SD 3.92Å; G58-M119 PolarHBondContact O-N 3.06Å; H59-M119 HydrophobicContact CB-CE 4.19Å; H59-M119 HydrophobicContact CB-CG 4.4Å; P69-M119 HydrophobicContact CB-CE 3.48Å; P69-M119 VanDerWaalsContact CB-CE 3.48Å; M119-G257 WeakPolarHBondContact CA-O 3.5Å; M119-A258 HydrophobicContact CB-CB 3.85Å
120E98.8Very high97.8Very high1 Ų139 Ų391%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-155.1142.6172.4-15963-9600110.6L33 H59 V60 L61 M122 D256 G257 P354 I355 G356L33-E120 WeakPolarHBondContact CD2-O 3.36Å; H59-E120 IonicContact CD2-OE1 3.86Å; H59-E120 PolarHBondContact CD2-OE1 2.96Å; H59-E120 VanDerWaalsContact CD2-OE1 3.29Å; H59-E120 IonicContact CD2-OE2 2.87Å; H59-E120 IonicContact NE2-OE1 3.93Å; V60-E120 VanDerWaalsContact CB-OE2 3.29Å; V60-E120 WeakPolarHBondContact CB-OE2 3.42Å; V60-E120 PolarHBondContact N-OE2 3.2Å; L61-E120 WeakPolarHBondContact CB-OE1 3.3Å; L61-E120 PolarHBondContact N-OE1 3.05Å; E120-M122 HydrophobicContact CG-CG 3.75Å; E120-D256 WeakPolarHBondContact O-CA 3.17Å; E120-G257 PolarHBondContact N-O 2.89Å; E120-G257 PolarHBondContact O-N 2.94Å; E120-P354 HydrophobicContact CB-CB 3.83Å; E120-I355 HydrophobicContact CG-CG1 3.81Å; E120-I355 WeakPolarHBondContact OE2-CG1 3.48Å; E120-G356 WeakPolarHBondContact OE2-CA 3.22Å; E120-G356 PolarHBondContact OE2-N 2.76Å
121S98.4Very high97.7Very high1 Ų136.2 Ų36.21%0.00719%0.187CC..EExtended strand (participates in β ladder)trans-13188.9166.1-176.10000108.7S123 R124 D256S121-S123 VanDerWaalsContact C-N 3.26Å; S121-S123 PolarHBondContact O-N 3.09Å; S121-R124 PolarHBondContact O-N 3.46Å; S121-R124 WeakPolarHBondContact OG-CB 3.29Å; S121-R124 WeakPolarHBondContact OG-CD 3.3Å; S121-R124 VanDerWaalsContact OG-CG 3.28Å; S121-R124 WeakPolarHBondContact OG-CG 3.46Å; S121-D256 WeakPolarHBondContact CA-OD1 3.25Å; S121-D256 PolarHBondContact OG-OD1 3Å
122M98.7Very high97.7Very high5 Ų547.4 Ų47.43%0.02523%0.227CC..G310 helixtrans-67.5-31.3179-60.2-175.480.400111.1L61 E120 R124 A125 M146 L151 I254 N255 D256 I355L61-M122 HydrophobicContact CD1-CB 4.3Å; L61-M122 HydrophobicContact CD1-CG 3.95Å; E120-M122 HydrophobicContact CG-CG 3.75Å; M122-R124 PolarHBondContact O-N 2.79Å; M122-A125 WeakPolarHBondContact O-CB 3.44Å; M122-A125 PolarHBondContact O-N 3.08Å; M122-M146 HydrophobicContact CB-CG 4.49Å; M122-M146 HydrophobicContact CB-SD 3.88Å; M122-M146 HydrophobicContact CE-CG 3.69Å; M122-M146 HydrophobicContact CE-SD 3.89Å; M122-L151 HydrophobicContact CE-CD1 4.31Å; M122-L151 HydrophobicContact CE-CD2 4.35Å; M122-I254 HydrophobicContact CB-CG2 3.51Å; M122-I254 HydrophobicContact CE-CB 4.44Å; M122-I254 HydrophobicContact CE-CG1 4.3Å; M122-I254 HydrophobicContact CE-CG2 3.84Å; M122-I254 HydrophobicContact CG-CG2 4.24Å; M122-I254 HydrophobicContact SD-CB 4.41Å; M122-I254 HydrophobicContact SD-CG2 3.79Å; M122-N255 VanDerWaalsContact CG-O 3.25Å; M122-N255 WeakPolarHBondContact CG-O 3.48Å; M122-D256 PolarHBondContact N-OD1 3.47Å; M122-I355 HydrophobicContact CE-CD1 4.4Å; M122-I355 HydrophobicContact CE-CG1 4.48Å; M122-I355 HydrophobicContact CE-CG2 4.13Å; M122-I355 HydrophobicContact SD-CG1 4.49Å; M122-I355 HydrophobicContact SD-CG2 4.24Å
123S98.6Very high97.7Very high28 Ų2849.5 Ų49.520%0.19625%0.251CS..G310 helixtrans-61.9-22.2174-57.40000114.1L21 S22 S121 D256L21-S123 WeakPolarHBondContact CA-OG 3.47Å; S22-S123 PolarHBondContact N-OG 3.49Å; S121-S123 VanDerWaalsContact C-N 3.26Å; S121-S123 PolarHBondContact O-N 3.09Å; S123-D256 WeakPolarHBondContact CB-OD2 3.35Å; S123-D256 PolarHBondContact N-OD1 3.19Å; S123-D256 VanDerWaalsContact OG-CG 3.26Å; S123-D256 PolarHBondContact OG-OD1 2.8Å; S123-D256 PolarHBondContact OG-OD2 3.36Å
124R97.8Very high97.5Very high94 Ų9451.5 Ų51.536%0.35527%0.272SS..G310 helixtrans-106.29.1-177.7-64.5-179.261.781.64.2113.3S26 L28 S121 M122 P126S26-R124 WeakPolarHBondContact O-CD 3.26Å; S26-R124 WeakPolarHBondContact O-CG 3.3Å; L28-R124 WeakPolarHBondContact O-CD 3.44Å; L28-R124 PolarHBondContact O-NE 2.82Å; S121-R124 PolarHBondContact O-N 3.46Å; S121-R124 WeakPolarHBondContact OG-CB 3.29Å; S121-R124 WeakPolarHBondContact OG-CD 3.3Å; S121-R124 VanDerWaalsContact OG-CG 3.28Å; S121-R124 WeakPolarHBondContact OG-CG 3.46Å; M122-R124 PolarHBondContact O-N 2.79Å; R124-P126 WeakPolarHBondContact O-CD 3.28Å
125A98.3Very high97.2Very high17 Ų1754.5 Ų54.514%0.1429%0.29CS..PPolyproline II helixtrans-64.5122.6172.100000109.4L61 M122 M146L61-A125 HydrophobicContact CD1-CB 3.94Å; M122-A125 WeakPolarHBondContact O-CB 3.44Å; M122-A125 PolarHBondContact O-N 3.08Å; A125-M146 HydrophobicContact CB-CB 3.73Å
126P97.9Very high97Very high44 Ų4464.8 Ų64.829%0.28634%0.335SS..PPolyproline II helixtrans-75.1160.9179.732.3-35.8000110.9A63 R124 S145A63-P126 HydrophobicContact CB-CG 3.81Å; A63-P126 WeakPolarHBondContact O-CD 3.49Å; R124-P126 WeakPolarHBondContact O-CD 3.28Å; P126-S145 VanDerWaalsContact O-CB 3.25Å; P126-S145 WeakPolarHBondContact O-CB 3.39Å; P126-S145 PolarHBondContact O-N 2.76Å; P126-S145 PolarHBondContact O-OG 2.9Å
127H98.4Very high96.8Very high109 Ų10973.4 Ų73.451%0.50538%0.377SS..EExtended strand (participates in β ladder)trans-76.1147.8154-72.160000109.3L142 Q143H127-L142 HydrophobicContact CB-CB 4.05Å; H127-L142 HydrophobicContact CB-CD2 4.36Å; H127-Q143 CarbonylContact C-O 3.53Å; H127-Q143 WeakPolarHBondContact CA-O 3.24Å
128T97.2Very high96.6Very high39 Ų3976.2 Ų76.224%0.23941%0.406CS..EExtended strand (participates in β ladder)trans-118.2152.4-178.858.30000111.2A63 Q143A63-T128 HydrophobicContact CB-CG2 4.43Å; T128-Q143 PolarHBondContact N-O 3.44Å; T128-Q143 PolarHBondContact O-N 3.33Å; T128-Q143 PolarHBondContact OG1-O 3.42Å
129L96.1Very high96.4Very high73 Ų7384.5 Ų84.538%0.38245%0.45SS..  trans-148.9131.9175.5-179.265.6000110.1M131 A140 S141 L142L129-M131 HydrophobicContact CB-CG 4.32Å; L129-M131 HydrophobicContact CD2-CG 3.5Å; L129-M131 HydrophobicContact CD2-SD 3.47Å; L129-M131 WeakPolarHBondContact CD2-SD 3.26Å; L129-M131 HydrophobicContact CG-CG 3.65Å; L129-M131 HydrophobicContact CG-SD 3.88Å; L129-M131 PolarHBondContact O-N 2.77Å; L129-M131 VanDerWaalsContact O-N 3.12Å; L129-A140 HydrophobicContact CD1-CB 3.86Å; L129-A140 HydrophobicContact CD2-CB 4.38Å; L129-S141 WeakPolarHBondContact CD1-O 3.48Å; L129-L142 HydrophobicContact CB-CD2 4.18Å
130Q93.9Very high96.2Very high172 Ų17287.1 Ų87.180%0.80447%0.472SS*.  trans-80.392.2178.5-65.8-63.5-19.500110.8
131M95.2Very high95.9Very high98 Ų9891.7 Ų91.748%0.48350%0.504SS..  trans-109.7-4.4-175.1-72.5-59.5-71.400115.6L129 A133 G134 V135L129-M131 HydrophobicContact CB-CG 4.32Å; L129-M131 HydrophobicContact CD2-CG 3.5Å; L129-M131 HydrophobicContact CD2-SD 3.47Å; L129-M131 WeakPolarHBondContact CD2-SD 3.26Å; L129-M131 HydrophobicContact CG-CG 3.65Å; L129-M131 HydrophobicContact CG-SD 3.88Å; L129-M131 PolarHBondContact O-N 2.77Å; L129-M131 VanDerWaalsContact O-N 3.12Å; M131-A133 VanDerWaalsContact C-N 3.27Å; M131-A133 PolarHBondContact O-N 2.76Å; M131-G134 WeakPolarHBondContact O-CA 3.36Å; M131-G134 PolarHBondContact O-N 3.19Å; M131-V135 HydrophobicContact CE-CG2 4.19Å; M131-V135 HydrophobicContact SD-CG2 3.57Å; M131-V135 VanDerWaalsContact SD-CG2 3.57Å
132R95.7Very high95.9Very high248 Ų24897.4 Ų97.494%0.93653%0.534SS*.THydrogen-bonded Turntrans-61-34.3-170.7-170.5-178.1-79.4-90.44.7113.3
133A94.8Very high95.8Very high109 Ų109102.2 Ų102.290%0.90156%0.557SS**THydrogen-bonded Turntrans-87.3-3.7174.500000113.7M131M131-A133 VanDerWaalsContact C-N 3.27Å; M131-A133 PolarHBondContact O-N 2.76Å
134G93.5Very high95.8Very high43 Ų43103.2 Ų103.244%0.44356%0.56SS.*  trans71.6162.6-168.300000113.2M131M131-G134 WeakPolarHBondContact O-CA 3.36Å; M131-G134 PolarHBondContact O-N 3.19Å
135V94.6Very high95.8Very high64 Ų6498.7 Ų98.739%0.38854%0.543SS..  trans-97.1103.5170.4178.40000106.9M131 G138 A140M131-V135 HydrophobicContact CE-CG2 4.19Å; M131-V135 HydrophobicContact SD-CG2 3.57Å; M131-V135 VanDerWaalsContact SD-CG2 3.57Å; V135-G138 WeakPolarHBondContact CG1-O 3.32Å; V135-A140 HydrophobicContact CG1-CB 4.46Å; V135-A140 HydrophobicContact CG2-CB 3.75Å
136K94.8Very high95.8Very high216 Ų21698.6 Ų98.694%0.93954%0.54SS*.  trans-64-43.2-174.1-177.6178.7177-178.20112.6
137M94.3Very high95.8Very high180 Ų18098.9 Ų98.989%0.88754%0.54SS*.SBendtrans-166.3141.6179-172.2176.272.800108.6
138G93.9Very high95.7Very high59 Ų5994.9 Ų94.961%0.60853%0.526SS*.SBendtrans101.3179.3179.800000114.1V135V135-G138 WeakPolarHBondContact CG1-O 3.32Å
139D94.6Very high95.7Very high174 Ų17497 Ų9793%0.9354%0.536SS*.  trans-76.3156.8-176.4-63.7-28.5000112.8
140A94.6Very high95.8Very high56 Ų5693.9 Ų93.946%0.46352%0.521SS..  trans-135.1130.6175.500000109.8L129 V135L129-A140 HydrophobicContact CD1-CB 3.86Å; L129-A140 HydrophobicContact CD2-CB 4.38Å; V135-A140 HydrophobicContact CG1-CB 4.46Å; V135-A140 HydrophobicContact CG2-CB 3.75Å
141S93.4Very high96Very high96 Ų9686.8 Ų86.867%0.67149%0.489SS*.  trans-102.9134.4-176540000112.2L129 Q143L129-S141 WeakPolarHBondContact CD1-O 3.48Å; S141-Q143 PolarHBondContact O-N 3.44Å
142L96.9Very high96.2Very high122 Ų12284.5 Ų84.564%0.63948%0.48SS*.  trans-73114.1167.3-71.4171.5000108.6H127 L129H127-L142 HydrophobicContact CB-CB 4.05Å; H127-L142 HydrophobicContact CB-CD2 4.36Å; L129-L142 HydrophobicContact CB-CD2 4.18Å
143Q97.2Very high96.3Very high106 Ų10672.8 Ų72.850%0.49544%0.436SS..EExtended strand (participates in β ladder)trans-87.2128176.9-177.1175.442.800109.8H127 T128 S141 S145 A148H127-Q143 CarbonylContact C-O 3.53Å; H127-Q143 WeakPolarHBondContact CA-O 3.24Å; T128-Q143 PolarHBondContact N-O 3.44Å; T128-Q143 PolarHBondContact O-N 3.33Å; T128-Q143 PolarHBondContact OG1-O 3.42Å; S141-Q143 PolarHBondContact O-N 3.44Å; Q143-S145 PolarHBondContact O-N 3.48Å; Q143-A148 HydrophobicContact CG-CB 3.81Å
144D98.2Very high96.4Very high48 Ų4871.7 Ų71.726%0.25743%0.427SS..EExtended strand (participates in β ladder)trans-69.3111.8171.6-173.7-26.3000109.7M146 V147 A148D144-M146 VanDerWaalsContact C-N 3.3Å; D144-M146 PolarHBondContact O-N 3.43Å; D144-M146 VanDerWaalsContact OD1-CB 3.23Å; D144-M146 WeakPolarHBondContact OD1-CB 3.36Å; D144-M146 PolarHBondContact OD1-N 3.47Å; D144-V147 HydrophobicContact CB-CB 4.25Å; D144-V147 HydrophobicContact CB-CG2 4.19Å; D144-V147 PolarHBondContact O-N 2.91Å; D144-V147 PolarHBondContact OD1-N 3.38Å; D144-A148 WeakPolarHBondContact O-CB 3.39Å; D144-A148 PolarHBondContact O-N 3.45Å
145S98Very high96.7Very high0 Ų076.5 Ų76.50%044%0.436CS..Hα-helixtrans-68.5-28-178.666.40000113.1P126 Q143 V147 D149P126-S145 VanDerWaalsContact O-CB 3.25Å; P126-S145 WeakPolarHBondContact O-CB 3.39Å; P126-S145 PolarHBondContact O-N 2.76Å; P126-S145 PolarHBondContact O-OG 2.9Å; Q143-S145 PolarHBondContact O-N 3.48Å; S145-V147 VanDerWaalsContact C-N 3.32Å; S145-V147 PolarHBondContact O-N 3.4Å; S145-D149 VanDerWaalsContact O-CB 3.23Å; S145-D149 WeakPolarHBondContact O-CB 3.47Å; S145-D149 PolarHBondContact O-N 3.23Å
146M98.1Very high96.8Very high15 Ų1577.6 Ų77.67%0.07444%0.437CS..Iπ-helixtrans-62.3-45.8175.5177.8-177.560.800110.3L61 M122 A125 D144 G150 L151 I254L61-M146 HydrophobicContact CD1-CB 4.1Å; L61-M146 HydrophobicContact CD1-CG 3.96Å; M122-M146 HydrophobicContact CB-CG 4.49Å; M122-M146 HydrophobicContact CB-SD 3.88Å; M122-M146 HydrophobicContact CE-CG 3.69Å; M122-M146 HydrophobicContact CE-SD 3.89Å; A125-M146 HydrophobicContact CB-CB 3.73Å; D144-M146 VanDerWaalsContact C-N 3.3Å; D144-M146 PolarHBondContact O-N 3.43Å; D144-M146 VanDerWaalsContact OD1-CB 3.23Å; D144-M146 WeakPolarHBondContact OD1-CB 3.36Å; D144-M146 PolarHBondContact OD1-N 3.47Å; M146-G150 WeakPolarHBondContact O-CA 3.27Å; M146-G150 PolarHBondContact O-N 3.02Å; M146-G150 VanDerWaalsContact O-N 3.09Å; M146-L151 HydrophobicContact CG-CD1 4.24Å; M146-L151 PolarHBondContact O-N 2.87Å; M146-I254 HydrophobicContact CE-CD1 3.75Å; M146-I254 HydrophobicContact CE-CG2 4.36Å; M146-I254 HydrophobicContact SD-CD1 3.95Å; M146-I254 HydrophobicContact SD-CG1 4.43Å; M146-I254 HydrophobicContact SD-CG2 3.38Å; M146-I254 WeakPolarHBondContact SD-CG2 3.34Å
147V97.9Very high96.9Very high49 Ų4972.1 Ų72.130%0.29743%0.426SS..Iπ-helixtrans-71.1-45.9179.2178.30000110.8D144 S145 L151 T152D144-V147 HydrophobicContact CB-CB 4.25Å; D144-V147 HydrophobicContact CB-CG2 4.19Å; D144-V147 PolarHBondContact O-N 2.91Å; D144-V147 PolarHBondContact OD1-N 3.38Å; S145-V147 VanDerWaalsContact C-N 3.32Å; S145-V147 PolarHBondContact O-N 3.4Å; V147-L151 CarbonylContact O-C 3.54Å; V147-L151 PolarHBondContact O-N 3.48Å; V147-L151 VanDerWaalsContact O-N 3.12Å; V147-T152 WeakPolarHBondContact CG1-OG1 3.35Å; V147-T152 WeakPolarHBondContact O-CB 3.31Å; V147-T152 PolarHBondContact O-N 3.28Å; V147-T152 PolarHBondContact O-OG1 3.33Å
148A97.4Very high97Very high25 Ų2565.9 Ų65.921%0.20739%0.393CS..Iπ-helixtrans-68.3-47.5-176.300000113.1Q143 D144Q143-A148 HydrophobicContact CG-CB 3.81Å; D144-A148 WeakPolarHBondContact O-CB 3.39Å; D144-A148 PolarHBondContact O-N 3.45Å
149D97.6Very high97.2Very high85 Ų8565.7 Ų65.746%0.45538%0.376SS..Iπ-helixtrans-92-20.9-171.9-57-22.4000112.5L61 S145L61-D149 HydrophobicContact CD2-CB 4.1Å; S145-D149 VanDerWaalsContact O-CB 3.23Å; S145-D149 WeakPolarHBondContact O-CB 3.47Å; S145-D149 PolarHBondContact O-N 3.23Å
150G97.5Very high97.4Very high7 Ų758 Ų587%0.07233%0.334CS..Iπ-helixtrans-111.6-35.4-17500000115.6M146M146-G150 WeakPolarHBondContact O-CA 3.27Å; M146-G150 PolarHBondContact O-N 3.02Å; M146-G150 VanDerWaalsContact O-N 3.09Å
151L98.3Very high97.6Very high23 Ų2355.3 Ų55.312%0.1231%0.312CS..Iπ-helixtrans-126-1.5-161.7-53.8176.3000115.1M122 M146 V147 H159 M160 I254M122-L151 HydrophobicContact CE-CD1 4.31Å; M122-L151 HydrophobicContact CE-CD2 4.35Å; M146-L151 HydrophobicContact CG-CD1 4.24Å; M146-L151 PolarHBondContact O-N 2.87Å; V147-L151 CarbonylContact O-C 3.54Å; V147-L151 PolarHBondContact O-N 3.48Å; V147-L151 VanDerWaalsContact O-N 3.12Å; L151-H159 CarbonylContact O-C 3.43Å; L151-H159 WeakPolarHBondContact O-CA 3.35Å; L151-M160 WeakPolarHBondContact O-CG 3.44Å; L151-M160 PolarHBondContact O-N 3.36Å; L151-I254 HydrophobicContact CD1-CD1 4.32Å
152T98.4Very high97.8Very high50 Ų5052.4 Ų52.431%0.30729%0.289SS..BIsolated β-bridgetrans-108130.9177.9-56.70000110.1V147 A154 Y158V147-T152 WeakPolarHBondContact CG1-OG1 3.35Å; V147-T152 WeakPolarHBondContact O-CB 3.31Å; V147-T152 PolarHBondContact O-N 3.28Å; V147-T152 PolarHBondContact O-OG1 3.33Å; T152-A154 PolarHBondContact O-N 3.08Å; T152-Y158 WeakPolarHBondContact CA-O 3.4Å
153D98.3Very high97.9Very high2 Ų246.6 Ų46.61%0.01126%0.259CS..  trans-70.1122.7175.9-172.561.7000109.5F155 H156 S157 Y158 M160 P290D153-F155 PolarHBondContact O-N 2.8Å; D153-F155 WeakPolarHBondContact OD2-CB 3.5Å; D153-F155 PolarHBondContact OD2-N 2.82Å; D153-F155 VanDerWaalsContact OD2-N 3.17Å; D153-H156 IonicContact OD2-CE1 3.95Å; D153-H156 IonicContact OD2-CG 3.52Å; D153-H156 PolarHBondContact OD2-N 2.66Å; D153-H156 IonicContact OD2-ND1 2.81Å; D153-H156 PolarHBondContact OD2-ND1 2.64Å; D153-S157 VanDerWaalsContact O-CA 3.28Å; D153-S157 WeakPolarHBondContact O-CA 3.16Å; D153-S157 PolarHBondContact O-N 2.92Å; D153-Y158 HydrophobicContact CB-CD2 4.16Å; D153-Y158 HydrophobicContact CB-CE2 4.05Å; D153-Y158 PolarHBondContact N-O 3.22Å; D153-M160 VanDerWaalsContact CA-CE 3.42Å; D153-M160 HydrophobicContact CB-CE 3.49Å; D153-M160 VanDerWaalsContact CB-CE 3.49Å; D153-P290 WeakPolarHBondContact OD1-CB 3.36Å
154A97.8Very high98Very high86 Ų8641.6 Ų41.671%0.71124%0.235SC*.THydrogen-bonded Turntrans-68.2-20.1-177.600000113.2T152T152-A154 PolarHBondContact O-N 3.08Å
155F98.1Very high98Very high143 Ų14340 Ų4063%0.62723%0.227SC*.THydrogen-bonded Turntrans-94.3-36.3-174.4-50.6-74.1000112.4D153 P290D153-F155 PolarHBondContact O-N 2.8Å; D153-F155 WeakPolarHBondContact OD2-CB 3.5Å; D153-F155 PolarHBondContact OD2-N 2.82Å; D153-F155 VanDerWaalsContact OD2-N 3.17Å; F155-P290 HydrophobicContact CD2-CB 3.69Å; F155-P290 HydrophobicContact CD2-CG 3.43Å; F155-P290 VanDerWaalsContact CD2-CG 3.43Å; F155-P290 HydrophobicContact CE2-CB 4.3Å; F155-P290 HydrophobicContact CE2-CG 3.81Å; F155-P290 HydrophobicContact CG-CG 4.15Å
156H97.1Very high98Very high87 Ų8742.5 Ų42.540%0.40324%0.24SC..THydrogen-bonded Turntrans-110.5-5.1-178.3-56.288.3000114.3D153 Y158D153-H156 IonicContact OD2-CE1 3.95Å; D153-H156 IonicContact OD2-CG 3.52Å; D153-H156 PolarHBondContact OD2-N 2.66Å; D153-H156 IonicContact OD2-ND1 2.81Å; D153-H156 PolarHBondContact OD2-ND1 2.64Å; H156-Y158 VanDerWaalsContact C-N 3.29Å; H156-Y158 HydrophobicContact CB-CD1 3.56Å; H156-Y158 HydrophobicContact CB-CD2 4.4Å; H156-Y158 HydrophobicContact CB-CE1 3.14Å; H156-Y158 HydrophobicContact CB-CE2 4.02Å; H156-Y158 HydrophobicContact CB-CG 4.18Å; H156-Y158 AromaticContact CG-CE1 3.72Å; H156-Y158 AromaticContact CG-CZ 3.67Å; H156-Y158 PolarHBondContact O-N 3.46Å
157S97Very high98.1Very high101 Ų10141.8 Ų41.871%0.70624%0.236SC*.  trans57.635.3176.9-56.70000114.5D153D153-S157 VanDerWaalsContact O-CA 3.28Å; D153-S157 WeakPolarHBondContact O-CA 3.16Å; D153-S157 PolarHBondContact O-N 2.92Å
158Y97.6Very high98.1Very high50 Ų5039.7 Ų39.720%0.19622%0.224CC..SBendtrans-126.4163.5173.255.9-127.8000112T152 D153 H156 I162 T163 S291T152-Y158 WeakPolarHBondContact CA-O 3.4Å; D153-Y158 HydrophobicContact CB-CD2 4.16Å; D153-Y158 HydrophobicContact CB-CE2 4.05Å; D153-Y158 PolarHBondContact N-O 3.22Å; H156-Y158 VanDerWaalsContact C-N 3.29Å; H156-Y158 HydrophobicContact CB-CD1 3.56Å; H156-Y158 HydrophobicContact CB-CD2 4.4Å; H156-Y158 HydrophobicContact CB-CE1 3.14Å; H156-Y158 HydrophobicContact CB-CE2 4.02Å; H156-Y158 HydrophobicContact CB-CG 4.18Å; H156-Y158 AromaticContact CG-CE1 3.72Å; H156-Y158 AromaticContact CG-CZ 3.67Å; H156-Y158 PolarHBondContact O-N 3.46Å; Y158-I162 HydrophobicContact CD1-CB 4.44Å; Y158-I162 HydrophobicContact CD1-CG2 3.87Å; Y158-I162 HydrophobicContact CD2-CB 3.7Å; Y158-I162 HydrophobicContact CD2-CG1 4.45Å; Y158-I162 HydrophobicContact CD2-CG2 3.9Å; Y158-I162 HydrophobicContact CE1-CG2 4.03Å; Y158-I162 HydrophobicContact CE2-CB 4.21Å; Y158-I162 HydrophobicContact CE2-CG2 4.12Å; Y158-I162 HydrophobicContact CG-CB 3.87Å; Y158-I162 HydrophobicContact CG-CG1 4.27Å; Y158-I162 HydrophobicContact CG-CG2 3.8Å; Y158-T163 HydrophobicContact CD2-CG2 4.43Å; Y158-T163 HydrophobicContact CE2-CG2 3.58Å; Y158-S291 VanDerWaalsContact OH-CA 3.26Å; Y158-S291 WeakPolarHBondContact OH-CA 3.47Å; Y158-S291 VanDerWaalsContact OH-CB 3.31Å; Y158-S291 WeakPolarHBondContact OH-CB 3.43Å
159H98.3Very high98.1Very high54 Ų5447.4 Ų47.425%0.2525%0.253CS..BIsolated β-bridgetrans-66.6149.7178.1-163-65.6000111.8L151 G161 I162 F238L151-H159 CarbonylContact O-C 3.43Å; L151-H159 WeakPolarHBondContact O-CA 3.35Å; H159-G161 PolarHBondContact ND1-N 2.96Å; H159-G161 VanDerWaalsContact ND1-N 3.16Å; H159-G161 PolarHBondContact O-N 2.95Å; H159-I162 WeakPolarHBondContact O-CB 3.47Å; H159-I162 PolarHBondContact O-N 3.48Å; H159-F238 HydrophobicContact CB-CD1 4.06Å; H159-F238 HydrophobicContact CB-CE1 4.15Å; H159-F238 AromaticContact CD2-CE1 3.87Å; H159-F238 AromaticContact CE1-CE1 3.57Å; H159-F238 AromaticContact CE1-CZ 3.92Å; H159-F238 AromaticContact CG-CD1 3.99Å; H159-F238 AromaticContact CG-CE1 3.55Å; H159-F238 AromaticContact ND1-CE1 3.36Å; H159-F238 WeakPolarHBondContact ND1-CE1 3.3Å; H159-F238 AromaticContact ND1-CZ 3.94Å; H159-F238 AromaticContact NE2-CE1 3.88Å
160M98.3Very high98.2Very high13 Ų1349.7 Ų49.76%0.06426%0.26CS..Hα-helixtrans-50.2-26.8172.3-67.9-56.696.900114.2L151 D153 I162 T163 A164 M293 F324L151-M160 WeakPolarHBondContact O-CG 3.44Å; L151-M160 PolarHBondContact O-N 3.36Å; D153-M160 VanDerWaalsContact CA-CE 3.42Å; D153-M160 HydrophobicContact CB-CE 3.49Å; D153-M160 VanDerWaalsContact CB-CE 3.49Å; M160-I162 PolarHBondContact O-N 3.19Å; M160-T163 WeakPolarHBondContact O-CB 3.38Å; M160-T163 PolarHBondContact O-N 3Å; M160-T163 VanDerWaalsContact O-N 3.08Å; M160-T163 PolarHBondContact O-OG1 3.48Å; M160-A164 PolarHBondContact O-N 2.84Å; M160-M293 HydrophobicContact CB-CE 4.09Å; M160-M293 HydrophobicContact CG-CE 4.23Å; M160-M293 HydrophobicContact SD-CE 3.74Å; M160-M293 HydrophobicContact SD-CG 4.2Å; M160-M293 HydrophobicContact SD-SD 4.33Å; M160-F324 HydrophobicContact CB-CE2 4.13Å; M160-F324 HydrophobicContact CB-CZ 4.33Å
161G97.9Very high98.2Very high0 Ų051.6 Ų51.60%027%0.266CS..Hα-helixtrans-65.5-27.6176.900000113H159 A164 E165H159-G161 PolarHBondContact ND1-N 2.96Å; H159-G161 VanDerWaalsContact ND1-N 3.16Å; H159-G161 PolarHBondContact O-N 2.95Å; G161-A164 WeakPolarHBondContact O-CB 3.21Å; G161-A164 PolarHBondContact O-N 3.28Å; G161-E165 WeakPolarHBondContact O-CG 3.12Å; G161-E165 PolarHBondContact O-N 3Å
162I98.6Very high98.2Very high35 Ų3553 Ų5318%0.17929%0.286CS..Hα-helixtrans-68.4-36.2172.2-60.3-62.2000110.9Y158 H159 M160 A164 E165 N166 F238 V239Y158-I162 HydrophobicContact CD1-CB 4.44Å; Y158-I162 HydrophobicContact CD1-CG2 3.87Å; Y158-I162 HydrophobicContact CD2-CB 3.7Å; Y158-I162 HydrophobicContact CD2-CG1 4.45Å; Y158-I162 HydrophobicContact CD2-CG2 3.9Å; Y158-I162 HydrophobicContact CE1-CG2 4.03Å; Y158-I162 HydrophobicContact CE2-CB 4.21Å; Y158-I162 HydrophobicContact CE2-CG2 4.12Å; Y158-I162 HydrophobicContact CG-CB 3.87Å; Y158-I162 HydrophobicContact CG-CG1 4.27Å; Y158-I162 HydrophobicContact CG-CG2 3.8Å; H159-I162 WeakPolarHBondContact O-CB 3.47Å; H159-I162 PolarHBondContact O-N 3.48Å; M160-I162 PolarHBondContact O-N 3.19Å; I162-A164 PolarHBondContact O-N 3.49Å; I162-E165 PolarHBondContact O-N 3.21Å; I162-N166 VanDerWaalsContact O-CG 3.22Å; I162-N166 PolarHBondContact O-N 3.37Å; I162-N166 PolarHBondContact O-ND2 3.19Å; I162-N166 PolarHBondContact O-OD1 3.41Å; I162-F238 HydrophobicContact CD1-CB 3.71Å; I162-F238 HydrophobicContact CG1-CB 4.35Å; I162-V239 HydrophobicContact CD1-CG2 3.7Å
163T98.6Very high98.2Very high0 Ų051.1 Ų51.10%027%0.274CS..Hα-helixtrans-62.7-34.9172.573.20000111.9Y158 M160 N166 V167 P290 S291 M293Y158-T163 HydrophobicContact CD2-CG2 4.43Å; Y158-T163 HydrophobicContact CE2-CG2 3.58Å; M160-T163 WeakPolarHBondContact O-CB 3.38Å; M160-T163 PolarHBondContact O-N 3Å; M160-T163 VanDerWaalsContact O-N 3.08Å; M160-T163 PolarHBondContact O-OG1 3.48Å; T163-N166 WeakPolarHBondContact O-CB 3.06Å; T163-N166 PolarHBondContact O-N 3.12Å; T163-V167 WeakPolarHBondContact O-CG2 3.42Å; T163-V167 PolarHBondContact O-N 2.89Å; T163-P290 WeakPolarHBondContact CG2-O 3.2Å; T163-S291 WeakPolarHBondContact CA-O 3.48Å; T163-S291 WeakPolarHBondContact CB-O 3.26Å; T163-M293 HydrophobicContact CG2-CG 4.11Å; T163-M293 VanDerWaalsContact OG1-CE 3.29Å; T163-M293 WeakPolarHBondContact OG1-CE 3.4Å
164A98.7Very high98.2Very high1 Ų153 Ų531%0.00829%0.287CS..Hα-helixtrans-68.4-38.8175.800000111.8M160 G161 I162 V167 A168 V246 F324 A326M160-A164 PolarHBondContact O-N 2.84Å; G161-A164 WeakPolarHBondContact O-CB 3.21Å; G161-A164 PolarHBondContact O-N 3.28Å; I162-A164 PolarHBondContact O-N 3.49Å; A164-V167 PolarHBondContact O-N 3.24Å; A164-A168 WeakPolarHBondContact O-CB 3.35Å; A164-A168 PolarHBondContact O-N 3.08Å; A164-V246 HydrophobicContact CB-CG2 3.91Å; A164-F324 HydrophobicContact CB-CB 3.66Å; A164-F324 HydrophobicContact CB-CD1 3.92Å; A164-F324 HydrophobicContact CB-CD2 3.7Å; A164-F324 HydrophobicContact CB-CE2 4.33Å; A164-F324 HydrophobicContact CB-CG 3.46Å; A164-F324 VanDerWaalsContact CB-CG 3.46Å; A164-A326 HydrophobicContact CB-CB 4.43Å; A164-A326 WeakPolarHBondContact O-CB 3.46Å
165E98.7Very high98.2Very high15 Ų1550.6 Ų50.67%0.0726%0.26CS..Hα-helixtrans-63.4-40.4172.1-63.8-75.9-166.400111.7G161 I162 V167 A168 K169 V239 G244 T245 V246G161-E165 WeakPolarHBondContact O-CG 3.12Å; G161-E165 PolarHBondContact O-N 3Å; I162-E165 PolarHBondContact O-N 3.21Å; E165-V167 VanDerWaalsContact C-N 3.35Å; E165-V167 PolarHBondContact O-N 2.86Å; E165-A168 PolarHBondContact O-N 2.8Å; E165-K169 WeakPolarHBondContact O-CB 3.37Å; E165-K169 PolarHBondContact O-N 3.37Å; E165-V239 HydrophobicContact CB-CG2 4.33Å; E165-V239 HydrophobicContact CG-CG2 3.93Å; E165-G244 WeakPolarHBondContact OE1-CA 3.41Å; E165-T245 VanDerWaalsContact CD-N 3.31Å; E165-T245 PolarHBondContact OE1-N 3.25Å; E165-T245 PolarHBondContact OE2-N 2.89Å; E165-T245 PolarHBondContact OE2-OG1 2.8Å; E165-V246 HydrophobicContact CG-CB 4.36Å; E165-V246 HydrophobicContact CG-CG2 3.93Å; E165-V246 PolarHBondContact OE1-N 3.04Å
166N98.6Very high98.3Very high52 Ų5250.1 Ų50.128%0.27826%0.259SS..Hα-helixtrans-59.7-45.9174.5-65-21.9000111.4I162 T163 K169 Q170 S291 V292I162-N166 VanDerWaalsContact O-CG 3.22Å; I162-N166 PolarHBondContact O-N 3.37Å; I162-N166 PolarHBondContact O-ND2 3.19Å; I162-N166 PolarHBondContact O-OD1 3.41Å; T163-N166 WeakPolarHBondContact O-CB 3.06Å; T163-N166 PolarHBondContact O-N 3.12Å; N166-K169 PolarHBondContact O-N 2.5Å; N166-Q170 WeakPolarHBondContact O-CB 3.44Å; N166-Q170 PolarHBondContact O-N 2.73Å; N166-S291 WeakPolarHBondContact CB-O 3.33Å; N166-S291 PolarHBondContact ND2-O 3.13Å; N166-V292 HydrophobicContact CB-CG1 4.32Å
167V98.7Very high98.3Very high0 Ų050.5 Ų50.50%026%0.261CS..Hα-helixtrans-63.8-44.8176.2172.50000111T163 A164 E165 K169 Q170 W171 V292 T295 Q327 A330T163-V167 WeakPolarHBondContact O-CG2 3.42Å; T163-V167 PolarHBondContact O-N 2.89Å; A164-V167 PolarHBondContact O-N 3.24Å; E165-V167 VanDerWaalsContact C-N 3.35Å; E165-V167 PolarHBondContact O-N 2.86Å; V167-K169 VanDerWaalsContact C-N 3.3Å; V167-K169 PolarHBondContact O-N 3.27Å; V167-Q170 PolarHBondContact O-N 3.1Å; V167-W171 HydrophobicContact CB-CE3 4.43Å; V167-W171 HydrophobicContact CG1-CD2 4.44Å; V167-W171 HydrophobicContact CG1-CE3 3.94Å; V167-W171 WeakPolarHBondContact O-CB 3.19Å; V167-W171 PolarHBondContact O-N 2.9Å; V167-V292 HydrophobicContact CG2-CB 3.9Å; V167-V292 HydrophobicContact CG2-CG1 4.07Å; V167-T295 HydrophobicContact CG1-CG2 4.03Å; V167-T295 HydrophobicContact CG2-CG2 3.85Å; V167-Q327 HydrophobicContact CG1-CB 4.44Å; V167-A330 HydrophobicContact CG1-CB 3.54Å
168A98.6Very high98.4Very high4 Ų445.7 Ų45.73%0.03323%0.228CC..Hα-helixtrans-56.5-47.1177.600000111.3A164 E165 G172 I173 A326A164-A168 WeakPolarHBondContact O-CB 3.35Å; A164-A168 PolarHBondContact O-N 3.08Å; E165-A168 PolarHBondContact O-N 2.8Å; A168-G172 PolarHBondContact O-N 2.97Å; A168-G172 VanDerWaalsContact O-N 3.07Å; A168-I173 PolarHBondContact O-N 3.36Å; A168-A326 HydrophobicContact CB-CB 3.88Å
169K98.2Very high98.5Very high188 Ų18843.4 Ų43.482%0.81722%0.219SC*.Hα-helixtrans-62.7-48.6177.2-175.7177.3179.1179.20112.3E165 N166 V167E165-K169 WeakPolarHBondContact O-CB 3.37Å; E165-K169 PolarHBondContact O-N 3.37Å; N166-K169 PolarHBondContact O-N 2.5Å; V167-K169 VanDerWaalsContact C-N 3.3Å; V167-K169 PolarHBondContact O-N 3.27Å
170Q98.3Very high98.5Very high132 Ų13245 Ų4562%0.61723%0.229SC*.Hα-helixtrans-72.5-33.8-174.3-178.7173.9-6.400113.2N166 V167N166-Q170 WeakPolarHBondContact O-CB 3.44Å; N166-Q170 PolarHBondContact O-N 2.73Å; V167-Q170 PolarHBondContact O-N 3.1Å
171W98.4Very high98.5Very high47 Ų4745.3 Ų45.318%0.17823%0.23CC..Hα-helixtrans-92.1-1.6178.1-85.6-101.7000114.1V167 I173 V292 T295 A330 K333V167-W171 HydrophobicContact CB-CE3 4.43Å; V167-W171 HydrophobicContact CG1-CD2 4.44Å; V167-W171 HydrophobicContact CG1-CE3 3.94Å; V167-W171 WeakPolarHBondContact O-CB 3.19Å; V167-W171 PolarHBondContact O-N 2.9Å; W171-I173 HydrophobicContact CB-CD1 3.78Å; W171-I173 HydrophobicContact CB-CG1 3.86Å; W171-V292 HydrophobicContact CZ3-CG1 4.35Å; W171-T295 HydrophobicContact CE3-CG2 4.31Å; W171-T295 HydrophobicContact CH2-CG2 3.65Å; W171-T295 HydrophobicContact CZ2-CG2 3.89Å; W171-T295 HydrophobicContact CZ3-CG2 3.86Å; W171-A330 HydrophobicContact CB-CB 4.18Å; W171-A330 HydrophobicContact CD2-CB 4.14Å; W171-A330 HydrophobicContact CG-CB 3.8Å; W171-K333 PolarHBondContact O-NZ 3.48Å
172G98.1Very high98.6Very high54 Ų5445.3 Ų45.356%0.55723%0.23SC*.THydrogen-bonded Turntrans64.447.4-179.100000112.3A168A168-G172 PolarHBondContact O-N 2.97Å; A168-G172 VanDerWaalsContact O-N 3.07Å
173I98.6Very high98.6Very high9 Ų944 Ų445%0.04622%0.224CC..  trans-101.2109.3-177.9-54.9174.2000108.6A168 W171 Q177 Q178 A326 L329 A330A168-I173 PolarHBondContact O-N 3.36Å; W171-I173 HydrophobicContact CB-CD1 3.78Å; W171-I173 HydrophobicContact CB-CG1 3.86Å; I173-Q177 HydrophobicContact CG2-CB 4.27Å; I173-Q178 HydrophobicContact CG2-CG 3.88Å; I173-Q178 PolarHBondContact O-NE2 3.22Å; I173-A326 WeakPolarHBondContact CD1-O 3.44Å; I173-L329 HydrophobicContact CD1-CB 3.88Å; I173-L329 HydrophobicContact CG2-CB 4.09Å; I173-L329 HydrophobicContact CG2-CD1 3.62Å; I173-A330 HydrophobicContact CD1-CB 3.71Å
174S98.4Very high98.6Very high41 Ų4147.1 Ų47.129%0.28724%0.24SC..  trans-69.8161.7-178.463.10000113E176 Q177 Q178S174-E176 VanDerWaalsContact C-N 3.27Å; S174-E176 WeakPolarHBondContact CB-OE2 3.25Å; S174-E176 PolarHBondContact O-N 2.8Å; S174-Q177 PolarHBondContact O-N 2.83Å; S174-Q177 WeakPolarHBondContact OG-CB 3.34Å; S174-Q177 WeakPolarHBondContact OG-CG 3.3Å; S174-Q177 PolarHBondContact OG-N 3.19Å; S174-Q177 PolarHBondContact OG-OE1 3.42Å; S174-Q178 WeakPolarHBondContact O-CG 3.49Å; S174-Q178 PolarHBondContact O-N 2.85Å; S174-Q178 VanDerWaalsContact O-N 3.17Å
175R98.4Very high98.6Very high36 Ų3647.2 Ų47.214%0.13624%0.241CC..Hα-helixtrans-58.8-41.1172.4169.859.9-172.2-79.2-9111.4Q177 Q178 D179 M231 L234 T245R175-Q177 PolarHBondContact O-N 2.88Å; R175-Q178 WeakPolarHBondContact O-CB 3.43Å; R175-Q178 PolarHBondContact O-N 2.75Å; R175-D179 IonicContact CZ-OD1 2.93Å; R175-D179 IonicContact CZ-OD2 2.81Å; R175-D179 VanDerWaalsContact CZ-OD2 3.32Å; R175-D179 IonicContact NE-OD1 3.77Å; R175-D179 PolarHBondContact NE-OD1 2.92Å; R175-D179 IonicContact NE-OD2 3.87Å; R175-D179 PolarHBondContact NE-OD2 2.87Å; R175-D179 IonicContact NH2-OD1 3.98Å; R175-D179 IonicContact NH2-OD2 3.83Å; R175-D179 PolarHBondContact NH2-OD2 3.13Å; R175-D179 PolarHBondContact O-N 2.57Å; R175-M231 PolarHBondContact NH2-O 2.92Å; R175-L234 PolarHBondContact NH1-O 2.98Å; R175-L234 VanDerWaalsContact NH1-O 3.08Å; R175-L234 PolarHBondContact NH2-O 3.3Å; R175-T245 HydrophobicContact CB-CG2 4.28Å; R175-T245 WeakPolarHBondContact CD-O 3.44Å
176E98.4Very high98.6Very high133 Ų13346.5 Ų46.562%0.62124%0.238SC*.Hα-helixtrans-64.2-41.6-178.2-64.269.7-153.200111.1S174 D179 L180S174-E176 VanDerWaalsContact C-N 3.27Å; S174-E176 WeakPolarHBondContact CB-OE2 3.25Å; S174-E176 PolarHBondContact O-N 2.8Å; E176-D179 PolarHBondContact O-N 2.96Å; E176-L180 VanDerWaalsContact O-CB 3.31Å; E176-L180 WeakPolarHBondContact O-CB 3.29Å; E176-L180 PolarHBondContact O-N 2.93Å
177Q98.6Very high98.6Very high95 Ų9547.1 Ų47.144%0.44424%0.241SC..Hα-helixtrans-63.3-42.9174.3-73.9168-6000111.5I173 S174 R175 L180 F181 L329I173-Q177 HydrophobicContact CG2-CB 4.27Å; S174-Q177 PolarHBondContact O-N 2.83Å; S174-Q177 WeakPolarHBondContact OG-CB 3.34Å; S174-Q177 WeakPolarHBondContact OG-CG 3.3Å; S174-Q177 PolarHBondContact OG-N 3.19Å; S174-Q177 PolarHBondContact OG-OE1 3.42Å; R175-Q177 PolarHBondContact O-N 2.88Å; Q177-L180 PolarHBondContact O-N 2.79Å; Q177-F181 WeakPolarHBondContact O-CB 3.35Å; Q177-F181 PolarHBondContact O-N 3.42Å; Q177-L329 HydrophobicContact CB-CD1 4.06Å
178Q98.8Very high98.6Very high0 Ų050.4 Ų50.40%026%0.255CS..Hα-helixtrans-62.5-45.3178.1-70179.761.400112.1I173 S174 R175 F181 A182 T245 N250 A325 A326 L329I173-Q178 HydrophobicContact CG2-CG 3.88Å; I173-Q178 PolarHBondContact O-NE2 3.22Å; S174-Q178 WeakPolarHBondContact O-CG 3.49Å; S174-Q178 PolarHBondContact O-N 2.85Å; S174-Q178 VanDerWaalsContact O-N 3.17Å; R175-Q178 WeakPolarHBondContact O-CB 3.43Å; R175-Q178 PolarHBondContact O-N 2.75Å; Q178-F181 PolarHBondContact O-N 3.23Å; Q178-A182 WeakPolarHBondContact O-CB 3.36Å; Q178-A182 PolarHBondContact O-N 2.98Å; Q178-T245 VanDerWaalsContact NE2-CB 3.3Å; Q178-T245 PolarHBondContact NE2-OG1 2.84Å; Q178-N250 HydrophobicContact CB-CB 4.19Å; Q178-A325 HydrophobicContact CB-CB 3.8Å; Q178-A325 HydrophobicContact CG-CB 4.05Å; Q178-A325 WeakPolarHBondContact O-CB 3.37Å; Q178-A326 HydrophobicContact CG-CB 4.36Å; Q178-L329 HydrophobicContact CG-CD1 4.3Å
179D98.7Very high98.6Very high2 Ų250.2 Ų50.21%0.01125%0.254CS..Hα-helixtrans-67.8-40.1179.2-74.73.5000111.7R175 E176 A182 V183 M231 S232 N250R175-D179 IonicContact CZ-OD1 2.93Å; R175-D179 IonicContact CZ-OD2 2.81Å; R175-D179 VanDerWaalsContact CZ-OD2 3.32Å; R175-D179 IonicContact NE-OD1 3.77Å; R175-D179 PolarHBondContact NE-OD1 2.92Å; R175-D179 IonicContact NE-OD2 3.87Å; R175-D179 PolarHBondContact NE-OD2 2.87Å; R175-D179 IonicContact NH2-OD1 3.98Å; R175-D179 IonicContact NH2-OD2 3.83Å; R175-D179 PolarHBondContact NH2-OD2 3.13Å; R175-D179 PolarHBondContact O-N 2.57Å; E176-D179 PolarHBondContact O-N 2.96Å; D179-A182 PolarHBondContact O-N 2.88Å; D179-V183 WeakPolarHBondContact O-CG2 3.34Å; D179-V183 PolarHBondContact O-N 3.03Å; D179-M231 HydrophobicContact CB-CB 3.95Å; D179-S232 WeakPolarHBondContact OD2-CA 3.49Å; D179-S232 PolarHBondContact OD2-N 2.97Å; D179-N250 PolarHBondContact OD1-ND2 2.86Å
180L98.7Very high98.6Very high87 Ų8742.7 Ų42.746%0.45522%0.221SC..Hα-helixtrans-62.5-45.3175.218061.4000111.6E176 Q177 A182 V183 N184 V228E176-L180 VanDerWaalsContact O-CB 3.31Å; E176-L180 WeakPolarHBondContact O-CB 3.29Å; E176-L180 PolarHBondContact O-N 2.93Å; Q177-L180 PolarHBondContact O-N 2.79Å; L180-A182 VanDerWaalsContact C-N 3.31Å; L180-A182 PolarHBondContact O-N 3.13Å; L180-V183 PolarHBondContact O-N 3.22Å; L180-N184 PolarHBondContact O-N 2.92Å; L180-V228 HydrophobicContact CD1-CG2 4.08Å
181F98.8Very high98.7Very high21 Ų2139.1 Ų39.19%0.09221%0.214CC..Hα-helixtrans-58.7-44175.4-179-92000111.5Q177 Q178 N184 S185 E322 A325 L329 I332 I349Q177-F181 WeakPolarHBondContact O-CB 3.35Å; Q177-F181 PolarHBondContact O-N 3.42Å; Q178-F181 PolarHBondContact O-N 3.23Å; F181-N184 PolarHBondContact O-N 3.43Å; F181-S185 PolarHBondContact O-N 3.38Å; F181-E322 HydrophobicContact CE1-CB 4.47Å; F181-E322 HydrophobicContact CE1-CG 4Å; F181-E322 HydrophobicContact CZ-CG 4.13Å; F181-A325 HydrophobicContact CB-CB 4.44Å; F181-A325 HydrophobicContact CD1-CB 3.8Å; F181-A325 HydrophobicContact CG-CB 4.49Å; F181-L329 HydrophobicContact CB-CD1 3.96Å; F181-L329 HydrophobicContact CB-CD2 4.15Å; F181-L329 HydrophobicContact CB-CG 4.14Å; F181-L329 HydrophobicContact CD2-CD2 3.74Å; F181-L329 HydrophobicContact CD2-CG 4.05Å; F181-L329 HydrophobicContact CG-CD1 4.37Å; F181-L329 HydrophobicContact CG-CD2 4.14Å; F181-L329 HydrophobicContact CG-CG 4.06Å; F181-I332 HydrophobicContact CE2-CD1 3.73Å; F181-I332 HydrophobicContact CZ-CD1 4.39Å; F181-I349 HydrophobicContact CD1-CD1 3.77Å; F181-I349 HydrophobicContact CE1-CD1 3.78Å
182A98.8Very high98.7Very high0 Ų037 Ų370%021%0.206CC..Hα-helixtrans-62.8-43.2177.800000113.1Q178 D179 L180 N184 S185 Q186 G249 N250 I349Q178-A182 WeakPolarHBondContact O-CB 3.36Å; Q178-A182 PolarHBondContact O-N 2.98Å; D179-A182 PolarHBondContact O-N 2.88Å; L180-A182 VanDerWaalsContact C-N 3.31Å; L180-A182 PolarHBondContact O-N 3.13Å; A182-N184 VanDerWaalsContact C-N 3.33Å; A182-N184 PolarHBondContact O-N 3.01Å; A182-S185 PolarHBondContact O-N 3.44Å; A182-Q186 WeakPolarHBondContact O-CG 3.5Å; A182-Q186 PolarHBondContact O-N 3.09Å; A182-G249 WeakPolarHBondContact CB-O 3.38Å; A182-N250 HydrophobicContact CB-CB 3.89Å; A182-I349 HydrophobicContact CB-CD1 4.41Å; A182-I349 HydrophobicContact CB-CG2 3.82Å
183V98.8Very high98.7Very high8 Ų836 Ų365%0.04819%0.187CC..Hα-helixtrans-60.9-43.6174.5169.80000110.8D179 L180 S185 Q186 N187 V228 M231D179-V183 WeakPolarHBondContact O-CG2 3.34Å; D179-V183 PolarHBondContact O-N 3.03Å; L180-V183 PolarHBondContact O-N 3.22Å; V183-S185 VanDerWaalsContact C-N 3.34Å; V183-S185 PolarHBondContact O-N 2.97Å; V183-Q186 PolarHBondContact O-N 2.62Å; V183-N187 WeakPolarHBondContact CG1-ND2 3.28Å; V183-N187 WeakPolarHBondContact O-CB 3.4Å; V183-N187 VanDerWaalsContact O-CG 3.23Å; V183-N187 PolarHBondContact O-N 2.96Å; V183-N187 PolarHBondContact O-ND2 3.22Å; V183-V228 HydrophobicContact CB-CG2 4.44Å; V183-V228 HydrophobicContact CG2-CG2 4.04Å; V183-M231 HydrophobicContact CG2-CB 4.48Å; V183-M231 HydrophobicContact CG2-CE 4.43Å; V183-M231 HydrophobicContact CG2-CG 3.64Å
184N98.6Very high98.7Very high65 Ų6542.5 Ų42.535%0.34822%0.215SC..Hα-helixtrans-62.4-41.8177.5-71.3-15.6000111.8L180 F181 A182 N187 K188L180-N184 PolarHBondContact O-N 2.92Å; F181-N184 PolarHBondContact O-N 3.43Å; A182-N184 VanDerWaalsContact C-N 3.33Å; A182-N184 PolarHBondContact O-N 3.01Å; N184-N187 PolarHBondContact O-N 2.86Å; N184-K188 WeakPolarHBondContact O-CB 3.39Å; N184-K188 VanDerWaalsContact O-CG 3.3Å; N184-K188 WeakPolarHBondContact O-CG 3.24Å; N184-K188 PolarHBondContact O-N 3.31Å
185S98.8Very high98.7Very high3 Ų343.5 Ų43.52%0.02123%0.226CC..Hα-helixtrans-60.6-46.3174.9-174.60000111.7F181 A182 V183 N187 K188 T189 E322 G347 S350F181-S185 PolarHBondContact O-N 3.38Å; A182-S185 PolarHBondContact O-N 3.44Å; V183-S185 VanDerWaalsContact C-N 3.34Å; V183-S185 PolarHBondContact O-N 2.97Å; S185-N187 PolarHBondContact O-N 3.17Å; S185-K188 PolarHBondContact O-N 2.95Å; S185-T189 PolarHBondContact O-N 3.2Å; S185-T189 PolarHBondContact O-OG1 3.43Å; S185-E322 WeakPolarHBondContact CB-OE2 3.47Å; S185-E322 PolarHBondContact OG-OE1 2.95Å; S185-E322 PolarHBondContact OG-OE2 3.48Å; S185-G347 PolarHBondContact OG-N 2.94Å; S185-S350 PolarHBondContact O-OG 3.49Å; S185-S350 PolarHBondContact OG-OG 3.37Å
186Q98.9Very high98.7Very high0 Ų042.8 Ų42.80%023%0.23CC..Hα-helixtrans-59.2-46.8175.4-68.6-72.9-0.700112.3A182 V183 T189 E190 M231 I349A182-Q186 WeakPolarHBondContact O-CG 3.5Å; A182-Q186 PolarHBondContact O-N 3.09Å; V183-Q186 PolarHBondContact O-N 2.62Å; Q186-T189 PolarHBondContact O-N 3.33Å; Q186-E190 WeakPolarHBondContact O-CB 3.36Å; Q186-E190 PolarHBondContact O-N 3.15Å; Q186-M231 HydrophobicContact CG-CE 4.28Å; Q186-I349 PolarHBondContact NE2-O 2.63Å
187N98.8Very high98.7Very high65 Ų6539.5 Ų39.535%0.34821%0.214SC..Hα-helixtrans-68.4-38.8-178.4-67.8-12.8000112.3V183 N184 S185 T189 E190 A191 S226V183-N187 WeakPolarHBondContact CG1-ND2 3.28Å; V183-N187 WeakPolarHBondContact O-CB 3.4Å; V183-N187 VanDerWaalsContact O-CG 3.23Å; V183-N187 PolarHBondContact O-N 2.96Å; V183-N187 PolarHBondContact O-ND2 3.22Å; N184-N187 PolarHBondContact O-N 2.86Å; S185-N187 PolarHBondContact O-N 3.17Å; N187-T189 VanDerWaalsContact C-N 3.33Å; N187-E190 PolarHBondContact O-N 3.42Å; N187-A191 WeakPolarHBondContact O-CB 3.27Å; N187-A191 PolarHBondContact O-N 2.84Å; N187-S226 PolarHBondContact OD1-O 2.75Å
188K98.8Very high98.7Very high69 Ų6935.1 Ų35.130%0.319%0.194SC..Hα-helixtrans-61.4-42.4172.9-74.3178.4179.4179.70110.9N184 S185 A192 E339 V342 N343N184-K188 WeakPolarHBondContact O-CB 3.39Å; N184-K188 VanDerWaalsContact O-CG 3.3Å; N184-K188 WeakPolarHBondContact O-CG 3.24Å; N184-K188 PolarHBondContact O-N 3.31Å; S185-K188 PolarHBondContact O-N 2.95Å; K188-A192 VanDerWaalsContact O-CB 3.28Å; K188-A192 WeakPolarHBondContact O-CB 2.84Å; K188-A192 PolarHBondContact O-N 3.26Å; K188-E339 PolarHBondContact NZ-O 3.18Å; K188-V342 PolarHBondContact NZ-O 2.81Å; K188-V342 VanDerWaalsContact NZ-O 3.17Å; K188-N343 WeakPolarHBondContact CD-O 3.34Å
189T98.9Very high98.7Very high0 Ų040.9 Ų40.90%023%0.225CC..Hα-helixtrans-68-43176.6-64.80000113S185 Q186 N187 A191 A192 Q193 F198 P222 S345 G346 S350 L351S185-T189 PolarHBondContact O-N 3.2Å; S185-T189 PolarHBondContact O-OG1 3.43Å; Q186-T189 PolarHBondContact O-N 3.33Å; N187-T189 VanDerWaalsContact C-N 3.33Å; T189-A191 VanDerWaalsContact C-N 3.32Å; T189-A191 PolarHBondContact O-N 2.97Å; T189-A192 PolarHBondContact O-N 3.39Å; T189-Q193 HydrophobicContact CG2-CG 4.34Å; T189-Q193 WeakPolarHBondContact O-CB 3.48Å; T189-Q193 WeakPolarHBondContact O-CG 3.49Å; T189-Q193 PolarHBondContact O-N 3.29Å; T189-F198 HydrophobicContact CG2-CE2 4.34Å; T189-P222 HydrophobicContact CG2-CB 3.88Å; T189-P222 HydrophobicContact CG2-CG 3.53Å; T189-S345 VanDerWaalsContact CA-O 3.26Å; T189-S345 WeakPolarHBondContact CA-O 3.49Å; T189-S345 PolarHBondContact N-O 2.83Å; T189-S345 PolarHBondContact OG1-O 2.8Å; T189-G346 WeakPolarHBondContact OG1-CA 3.28Å; T189-S350 WeakPolarHBondContact CB-OG 3.16Å; T189-S350 WeakPolarHBondContact OG1-CB 3.35Å; T189-S350 PolarHBondContact OG1-OG 3.12Å; T189-L351 HydrophobicContact CG2-CD2 3.65Å; T189-L351 HydrophobicContact CG2-CG 4.08Å
190E98.8Very high98.7Very high30 Ų3047 Ų4714%0.1425%0.253CS..Hα-helixtrans-58.6-45.7174.8178.1176172.300111.2Q186 N187 Q193 K194 H224 G225Q186-E190 WeakPolarHBondContact O-CB 3.36Å; Q186-E190 PolarHBondContact O-N 3.15Å; N187-E190 PolarHBondContact O-N 3.42Å; E190-Q193 PolarHBondContact O-N 3.4Å; E190-K194 HydrophobicContact CG-CD 4.24Å; E190-K194 WeakPolarHBondContact O-CB 3.41Å; E190-K194 WeakPolarHBondContact O-CG 3.36Å; E190-K194 PolarHBondContact O-N 3.1Å; E190-K194 VanDerWaalsContact OE1-CE 3.31Å; E190-K194 WeakPolarHBondContact OE1-CE 3.43Å; E190-K194 IonicContact OE1-NZ 2.61Å; E190-K194 PolarHBondContact OE1-NZ 3Å; E190-H224 HydrophobicContact CG-CB 4.2Å; E190-H224 VanDerWaalsContact OE2-CA 3.27Å; E190-H224 WeakPolarHBondContact OE2-CA 3.45Å; E190-H224 IonicContact OE2-CG 3.32Å; E190-G225 PolarHBondContact OE2-N 3.28Å
191A98.8Very high98.7Very high56 Ų5642.8 Ų42.846%0.46323%0.231SC..Hα-helixtrans-61.9-43.8175.500000111.8N187 T189 K194 A195N187-A191 WeakPolarHBondContact O-CB 3.27Å; N187-A191 PolarHBondContact O-N 2.84Å; T189-A191 VanDerWaalsContact C-N 3.32Å; T189-A191 PolarHBondContact O-N 2.97Å; A191-K194 PolarHBondContact O-N 3.12Å; A191-A195 VanDerWaalsContact O-CB 3.3Å; A191-A195 WeakPolarHBondContact O-CB 3.3Å; A191-A195 PolarHBondContact O-N 3.46Å
192A98.8Very high98.7Very high2 Ų242.5 Ų42.52%0.01723%0.23CC..Hα-helixtrans-64.3-40.8178.500000112.8K188 T189 A195 G196 H197 F198K188-A192 VanDerWaalsContact O-CB 3.28Å; K188-A192 WeakPolarHBondContact O-CB 2.84Å; K188-A192 PolarHBondContact O-N 3.26Å; T189-A192 PolarHBondContact O-N 3.39Å; A192-A195 PolarHBondContact O-N 3.3Å; A192-G196 PolarHBondContact O-N 3.27Å; A192-H197 HydrophobicContact CB-CB 3.98Å; A192-H197 WeakPolarHBondContact O-CB 3.45Å; A192-H197 PolarHBondContact O-N 3.28Å; A192-F198 HydrophobicContact CB-CD2 4.45Å; A192-F198 HydrophobicContact CB-CE2 3.66Å; A192-F198 HydrophobicContact CB-CZ 3.8Å
193Q98.6Very high98.7Very high33 Ų3343 Ų4315%0.15423%0.233CC..Hα-helixtrans-64.4-46.1174.8-74.7-177.1-48.100111.3T189 E190 A195 G196 F198 D219 H224T189-Q193 HydrophobicContact CG2-CG 4.34Å; T189-Q193 WeakPolarHBondContact O-CB 3.48Å; T189-Q193 WeakPolarHBondContact O-CG 3.49Å; T189-Q193 PolarHBondContact O-N 3.29Å; E190-Q193 PolarHBondContact O-N 3.4Å; Q193-A195 VanDerWaalsContact C-N 3.25Å; Q193-A195 PolarHBondContact O-N 2.95Å; Q193-G196 PolarHBondContact O-N 2.98Å; Q193-G196 VanDerWaalsContact O-N 3.14Å; Q193-F198 HydrophobicContact CG-CD2 3.89Å; Q193-F198 HydrophobicContact CG-CE2 3.91Å; Q193-D219 PolarHBondContact NE2-O 3.44Å; Q193-H224 PolarHBondContact OE1-NE2 3.23Å
194K98.6Very high98.7Very high147 Ų14745.4 Ų45.464%0.63925%0.249SC*.Hα-helixtrans-64.1-30.7178.2-72.4177.7-174.8175.10113E190 A191 G196E190-K194 HydrophobicContact CG-CD 4.24Å; E190-K194 WeakPolarHBondContact O-CB 3.41Å; E190-K194 WeakPolarHBondContact O-CG 3.36Å; E190-K194 PolarHBondContact O-N 3.1Å; E190-K194 VanDerWaalsContact OE1-CE 3.31Å; E190-K194 WeakPolarHBondContact OE1-CE 3.43Å; E190-K194 IonicContact OE1-NZ 2.61Å; E190-K194 PolarHBondContact OE1-NZ 3Å; A191-K194 PolarHBondContact O-N 3.12Å; K194-G196 VanDerWaalsContact C-N 3.34Å
195A98.6Very high98.7Very high62 Ų6242.4 Ų42.451%0.51223%0.233SC..THydrogen-bonded Turntrans-87.42.4177.600000113.9A191 A192 Q193 H197A191-A195 VanDerWaalsContact O-CB 3.3Å; A191-A195 WeakPolarHBondContact O-CB 3.3Å; A191-A195 PolarHBondContact O-N 3.46Å; A192-A195 PolarHBondContact O-N 3.3Å; Q193-A195 VanDerWaalsContact C-N 3.25Å; Q193-A195 PolarHBondContact O-N 2.95Å; A195-H197 VanDerWaalsContact C-N 3.26Å; A195-H197 VanDerWaalsContact CB-NE2 3.33Å; A195-H197 WeakPolarHBondContact CB-NE2 3.46Å; A195-H197 PolarHBondContact O-N 3.49Å
196G98.4Very high98.6Very high21 Ų2146.5 Ų46.522%0.21626%0.258CS..THydrogen-bonded Turntrans67.322.7179.700000114A192 Q193 K194 F198 D199A192-G196 PolarHBondContact O-N 3.27Å; Q193-G196 PolarHBondContact O-N 2.98Å; Q193-G196 VanDerWaalsContact O-N 3.14Å; K194-G196 VanDerWaalsContact C-N 3.34Å; G196-F198 PolarHBondContact O-N 3.31Å; G196-F198 VanDerWaalsContact O-N 3.15Å; G196-D199 WeakPolarHBondContact CA-OD2 3.48Å; G196-D199 WeakPolarHBondContact O-CB 3.45Å; G196-D199 VanDerWaalsContact O-CG 3.31Å; G196-D199 PolarHBondContact O-N 2.87Å
197H98.7Very high98.5Very high63 Ų6347.1 Ų47.129%0.29226%0.262SS..THydrogen-bonded Turntrans-64.7-20.4-175.1-71.9177.2000113.9A192 A195 R372A192-H197 HydrophobicContact CB-CB 3.98Å; A192-H197 WeakPolarHBondContact O-CB 3.45Å; A192-H197 PolarHBondContact O-N 3.28Å; A195-H197 VanDerWaalsContact C-N 3.26Å; A195-H197 VanDerWaalsContact CB-NE2 3.33Å; A195-H197 WeakPolarHBondContact CB-NE2 3.46Å; A195-H197 PolarHBondContact O-N 3.49Å; H197-R372 PolarHBondContact O-NH1 2.62Å
198F98.8Very high98.3Very high4 Ų448.5 Ų48.52%0.01827%0.274CS..THydrogen-bonded Turntrans-99.3-6.6-179.7-56.6-57.4000113.6T189 A192 Q193 G196 Q200 E201 I202 L351 T365T189-F198 HydrophobicContact CG2-CE2 4.34Å; A192-F198 HydrophobicContact CB-CD2 4.45Å; A192-F198 HydrophobicContact CB-CE2 3.66Å; A192-F198 HydrophobicContact CB-CZ 3.8Å; Q193-F198 HydrophobicContact CG-CD2 3.89Å; Q193-F198 HydrophobicContact CG-CE2 3.91Å; G196-F198 PolarHBondContact O-N 3.31Å; G196-F198 VanDerWaalsContact O-N 3.15Å; F198-Q200 PolarHBondContact O-N 2.95Å; F198-E201 HydrophobicContact CB-CG 4.22Å; F198-E201 HydrophobicContact CD1-CG 4.32Å; F198-E201 WeakPolarHBondContact CD1-OE1 3.3Å; F198-E201 WeakPolarHBondContact O-CG 3.24Å; F198-E201 PolarHBondContact O-N 2.87Å; F198-I202 HydrophobicContact CB-CD1 3.74Å; F198-I202 HydrophobicContact CB-CG1 4.22Å; F198-I202 WeakPolarHBondContact O-CG1 3.37Å; F198-I202 PolarHBondContact O-N 3.29Å; F198-L351 HydrophobicContact CE2-CD2 4.18Å; F198-L351 HydrophobicContact CZ-CD1 4.26Å; F198-L351 HydrophobicContact CZ-CD2 4.07Å; F198-T365 HydrophobicContact CE1-CG2 4.21Å
199D98.4Very high98.1Very high121 Ų12147.7 Ų47.765%0.64728%0.278SS*.THydrogen-bonded Turntrans-61.3-35.3-172.5-64.7-1.7000111.9G196G196-D199 WeakPolarHBondContact CA-OD2 3.48Å; G196-D199 WeakPolarHBondContact O-CB 3.45Å; G196-D199 VanDerWaalsContact O-CG 3.31Å; G196-D199 PolarHBondContact O-N 2.87Å
200Q98.2Very high97.9Very high129 Ų12960.2 Ų60.260%0.60333%0.325SS*.THydrogen-bonded Turntrans-75.3-27.9177.9-66.3-169.93.700112.8R44 F198R44-Q200 PolarHBondContact NH1-O 3.01Å; R44-Q200 PolarHBondContact NH2-O 2.93Å; F198-Q200 PolarHBondContact O-N 2.95Å
201E98.6Very high97.6Very high0 Ų068.8 Ų68.80%036%0.362CS..THydrogen-bonded Turntrans-93.8-22.2-175.371.5-175.8-133.200113.4A14 R15 F198 V364 T365 H368A14-E201 CarbonylContact C-O 3.58Å; A14-E201 WeakPolarHBondContact CA-O 3.33Å; R15-E201 HydrophobicContact CG-CG 4.34Å; R15-E201 IonicContact CZ-OE1 2.9Å; R15-E201 PolarHBondContact N-O 2.87Å; R15-E201 IonicContact NE-OE1 2.77Å; R15-E201 PolarHBondContact NE-OE1 2.92Å; R15-E201 IonicContact NH2-OE1 3.2Å; R15-E201 PolarHBondContact NH2-OE1 3.44Å; R15-E201 VanDerWaalsContact NH2-OE1 3.16Å; F198-E201 HydrophobicContact CB-CG 4.22Å; F198-E201 HydrophobicContact CD1-CG 4.32Å; F198-E201 WeakPolarHBondContact CD1-OE1 3.3Å; F198-E201 WeakPolarHBondContact O-CG 3.24Å; F198-E201 PolarHBondContact O-N 2.87Å; E201-V364 HydrophobicContact CB-CG1 3.84Å; E201-T365 PolarHBondContact OE1-OG1 3.25Å; E201-T365 WeakPolarHBondContact OE2-CA 3.38Å; E201-H368 WeakPolarHBondContact CB-CD2 3.42Å; E201-H368 IonicContact OE2-CD2 3.7Å; E201-H368 IonicContact OE2-CG 4Å
202I98.9Very high97.4Very high14 Ų1467.5 Ų67.57%0.07235%0.353CS..BIsolated β-bridgetrans-84.5130.3-179-68.3174.9000111.7R15 P17 F198R15-I202 HydrophobicContact CG-CG1 4.5Å; R15-I202 CarbonylContact O-C 3.58Å; R15-I202 VanDerWaalsContact O-CA 3.3Å; R15-I202 WeakPolarHBondContact O-CA 3.35Å; P17-I202 HydrophobicContact CB-CG2 4.44Å; F198-I202 HydrophobicContact CB-CD1 3.74Å; F198-I202 HydrophobicContact CB-CG1 4.22Å; F198-I202 WeakPolarHBondContact O-CG1 3.37Å; F198-I202 PolarHBondContact O-N 3.29Å
203V98.8Very high97.2Very high10 Ų1072.2 Ų72.26%0.06138%0.384CS..PPolyproline II helixtrans-94.6119.7165.3-172.20000107.9A14 R15 P17 D40 I205A14-V203 HydrophobicContact CB-CG2 3.66Å; R15-V203 PolarHBondContact O-N 3.36Å; P17-V203 WeakPolarHBondContact CD-O 3.4Å; D40-V203 HydrophobicContact CB-CG1 3.98Å; D40-V203 HydrophobicContact CB-CG2 3.75Å; D40-V203 VanDerWaalsContact OD1-CG2 3.26Å; D40-V203 WeakPolarHBondContact OD1-CG2 3.43Å; V203-I205 PolarHBondContact O-N 3.28Å
204P98.4Very high97.2Very high59 Ų5974.3 Ų74.338%0.38340%0.399SS..PPolyproline II helixtrans-60.2136.5173.7-23.433.9000111.7E215 V216 K217P204-E215 HydrophobicContact CB-CG 3.57Å; P204-V216 WeakPolarHBondContact CA-O 3.26Å; P204-K217 HydrophobicContact CB-CB 4.04Å; P204-K217 HydrophobicContact CG-CB 4.13Å
205I98.4Very high97.1Very high3 Ų372.3 Ų72.32%0.01539%0.392CS..EExtended strand (participates in β ladder)trans-114.5127.2-177.7-57.1-62.6000109.7T16 L25 L28 P36 V203 V207 V216T16-I205 HydrophobicContact CG2-CD1 3.69Å; T16-I205 HydrophobicContact CG2-CG1 3.8Å; L25-I205 HydrophobicContact CD2-CB 4.37Å; L25-I205 HydrophobicContact CD2-CG2 4.27Å; L28-I205 HydrophobicContact CD1-CG2 3.33Å; P36-I205 HydrophobicContact CB-CD1 3.86Å; P36-I205 HydrophobicContact CG-CD1 4.07Å; V203-I205 PolarHBondContact O-N 3.28Å; I205-V207 HydrophobicContact CG2-CG2 4.43Å; I205-V216 PolarHBondContact N-O 2.86Å; I205-V216 PolarHBondContact O-N 2.85Å
206T97.8Very high97.1Very high89 Ų8970.5 Ų70.555%0.54637%0.374SS..EExtended strand (participates in β ladder)trans-87.1118.7177.4-60.80000110.1P213 V214T206-P213 HydrophobicContact CG2-CB 3.46Å; T206-P213 VanDerWaalsContact CG2-CB 3.46Å; T206-V214 CarbonylContact C-O 3.48Å; T206-V214 WeakPolarHBondContact CA-O 3.42Å
207V97.3Very high97.1Very high13 Ų1375.2 Ų75.28%0.07939%0.389CS..EExtended strand (participates in β ladder)trans-108.9125.6-178.1-177.70000109.9A24 L25 S27 L28 I205 S209 P213 V214 V216A24-V207 WeakPolarHBondContact O-CG2 3.36Å; L25-V207 HydrophobicContact CD2-CG2 4.19Å; S27-V207 WeakPolarHBondContact OG-CG1 3.33Å; L28-V207 HydrophobicContact CD1-CG2 4.05Å; L28-V207 HydrophobicContact CD2-CG2 4.45Å; L28-V207 HydrophobicContact CG-CG2 4.31Å; I205-V207 HydrophobicContact CG2-CG2 4.43Å; V207-S209 PolarHBondContact O-N 3.3Å; V207-P213 WeakPolarHBondContact O-CA 3.29Å; V207-V214 PolarHBondContact N-O 3.29Å; V207-V214 PolarHBondContact O-N 2.8Å; V207-V216 HydrophobicContact CB-CG2 4.34Å; V207-V216 HydrophobicContact CG2-CB 4.46Å; V207-V216 HydrophobicContact CG2-CG2 3.63Å
208P94.4Very high97.1Very high93 Ų9376.3 Ų76.360%0.60440%0.4SS*.  trans-61.1132.4173.6-22.433.3000111.8
209S94.8Very high97.1Very high53 Ų5376.5 Ų76.537%0.37140%0.401SS..  trans-135.2162.9172.797.20000111.2V207 K211 G212V207-S209 PolarHBondContact O-N 3.3Å; S209-K211 PolarHBondContact O-N 3.47Å; S209-K211 VanDerWaalsContact O-N 3.15Å; S209-K211 PolarHBondContact OG-N 2.82Å; S209-G212 VanDerWaalsContact CB-O 3.27Å; S209-G212 WeakPolarHBondContact CB-O 3.42Å; S209-G212 PolarHBondContact N-O 2.6Å; S209-G212 PolarHBondContact O-N 3.06Å; S209-G212 PolarHBondContact OG-O 3.46Å
210R92.8Very high97.1Very high262 Ų26274.6 Ų74.699%0.98939%0.388SS*.THydrogen-bonded Turntrans-57.9-26.9176-70.6-176.5177.9169.7-0.2113.4
211K92.7Very high97.1Very high211 Ų21169.9 Ų69.992%0.91737%0.366SS*.THydrogen-bonded Turntrans-94.47.3179.7-62.8-174.9179.9179.60113S209S209-K211 PolarHBondContact O-N 3.47Å; S209-K211 VanDerWaalsContact O-N 3.15Å; S209-K211 PolarHBondContact OG-N 2.82Å
212G94.7Very high97.1Very high28 Ų2870.7 Ų70.729%0.28937%0.372SS..SBendtrans108.8170.9-172.200000112.6S209S209-G212 VanDerWaalsContact CB-O 3.27Å; S209-G212 WeakPolarHBondContact CB-O 3.42Å; S209-G212 PolarHBondContact N-O 2.6Å; S209-G212 PolarHBondContact O-N 3.06Å; S209-G212 PolarHBondContact OG-O 3.46Å
213P96.2Very high97.1Very high102 Ų10274.2 Ų74.266%0.66238%0.384SS*.  trans-62.5138.1-179.9-18.631.2000112.1T206 V207T206-P213 HydrophobicContact CG2-CB 3.46Å; T206-P213 VanDerWaalsContact CG2-CB 3.46Å; V207-P213 WeakPolarHBondContact O-CA 3.29Å
214V97.1Very high97Very high76 Ų7678.7 Ų78.746%0.46140%0.404SS..EExtended strand (participates in β ladder)trans-116.2134.5177.7178.90000109.1T206 V207T206-V214 CarbonylContact C-O 3.48Å; T206-V214 WeakPolarHBondContact CA-O 3.42Å; V207-V214 PolarHBondContact N-O 3.29Å; V207-V214 PolarHBondContact O-N 2.8Å
215E97.8Very high97Very high105 Ų10578.2 Ų78.249%0.49141%0.41SS..EExtended strand (participates in β ladder)trans-84.3123.4173.2-173.8-178-93.700110.4P204 K217P204-E215 HydrophobicContact CB-CG 3.57Å; E215-K217 IonicContact OE2-NZ 3.4Å; E215-K217 PolarHBondContact OE2-NZ 2.98Å
216V98.4Very high97Very high24 Ų2479 Ų7915%0.14542%0.416CS..EExtended strand (participates in β ladder)trans-106.2120.1173.2-173.60000108.2P17 A24 L25 P204 I205 V207P17-V216 HydrophobicContact CB-CG1 4.48Å; P17-V216 HydrophobicContact CG-CB 4.43Å; P17-V216 HydrophobicContact CG-CG1 3.85Å; A24-V216 HydrophobicContact CB-CG1 3.95Å; A24-V216 HydrophobicContact CB-CG2 4.16Å; L25-V216 HydrophobicContact CD2-CB 4.3Å; L25-V216 HydrophobicContact CD2-CG1 4.22Å; P204-V216 WeakPolarHBondContact CA-O 3.26Å; I205-V216 PolarHBondContact N-O 2.86Å; I205-V216 PolarHBondContact O-N 2.85Å; V207-V216 HydrophobicContact CB-CG2 4.34Å; V207-V216 HydrophobicContact CG2-CB 4.46Å; V207-V216 HydrophobicContact CG2-CG2 3.63Å
217K98.2Very high97Very high120 Ų12078 Ų7852%0.52241%0.407SS..  trans-139.28.9-175.864.8178.8169.4-161.40114.6P204 E215P204-K217 HydrophobicContact CB-CB 4.04Å; P204-K217 HydrophobicContact CG-CB 4.13Å; E215-K217 IonicContact OE2-NZ 3.4Å; E215-K217 PolarHBondContact OE2-NZ 2.98Å
218T98.4Very high97Very high87 Ų8780.5 Ų80.553%0.53442%0.422SS..SBendtrans-126.7136-178.4-50.80000108.3P17 E220P17-T218 WeakPolarHBondContact CB-O 3.21Å; T218-E220 PolarHBondContact O-N 3Å
219D98.8Very high97.1Very high7 Ų778.9 Ų78.94%0.03742%0.417CS..  trans-59127171-62-54.2000109.8R15 P17 I18 Q193 P222 L351R15-D219 IonicContact CZ-OD1 3.16Å; R15-D219 IonicContact CZ-OD2 3.78Å; R15-D219 IonicContact NH1-OD1 3.21Å; R15-D219 PolarHBondContact NH1-OD1 2.88Å; R15-D219 IonicContact NH1-OD2 3.36Å; R15-D219 PolarHBondContact NH1-OD2 2.92Å; R15-D219 IonicContact NH2-OD1 2.71Å; R15-D219 IonicContact NH2-OD2 2.75Å; R15-D219 PolarHBondContact NH2-OD2 3.3Å; P17-D219 WeakPolarHBondContact CA-OD1 3.22Å; I18-D219 PolarHBondContact N-OD1 3.43Å; Q193-D219 PolarHBondContact NE2-O 3.44Å; D219-P222 HydrophobicContact CB-CG 4.3Å; D219-P222 WeakPolarHBondContact O-CD 3.35Å; D219-L351 HydrophobicContact CB-CD2 4.13Å
220E98.2Very high97.1Very high81 Ų8180.1 Ų80.138%0.37942%0.422SS..SBendtrans-87.5-27.4-170.1-171.8-174.6-169.800112.9I18 C20 A24 T218 P222I18-E220 PolarHBondContact O-N 2.97Å; C20-E220 HydrophobicContact CB-CG 4.37Å; C20-E220 PolarHBondContact N-OE2 3.42Å; A24-E220 WeakPolarHBondContact CB-OE2 3.33Å; A24-E220 PolarHBondContact N-OE1 3.21Å; A24-E220 PolarHBondContact N-OE2 3.43Å; T218-E220 PolarHBondContact O-N 3Å; E220-P222 VanDerWaalsContact C-CD 3.47Å
221F98.5Very high97.3Very high30 Ų3068.1 Ų68.113%0.13238%0.378CS..  trans-72.8-28.7-172-161.4-114000116.8R223 I349 S350F221-R223 PolarHBondContact O-N 3.27Å; F221-I349 WeakPolarHBondContact CE1-O 3.28Å; F221-S350 CarbonylContact C-O 3.57Å; F221-S350 VanDerWaalsContact CD1-O 3.31Å; F221-S350 WeakPolarHBondContact CD1-O 3.42Å
222P98.6Very high97.5Very high18 Ų1861.3 Ų61.312%0.11736%0.357CS..  trans-57.7138.5-178-28.737.2000113.7T189 D219 E220 S350 L351T189-P222 HydrophobicContact CG2-CB 3.88Å; T189-P222 HydrophobicContact CG2-CG 3.53Å; D219-P222 HydrophobicContact CB-CG 4.3Å; D219-P222 WeakPolarHBondContact O-CD 3.35Å; E220-P222 VanDerWaalsContact C-CD 3.47Å; P222-S350 VanDerWaalsContact CA-O 3.27Å; P222-S350 WeakPolarHBondContact CA-O 3.35Å; P222-S350 WeakPolarHBondContact CD-O 3.36Å; P222-S350 WeakPolarHBondContact CG-O 3.3Å; P222-S350 VanDerWaalsContact N-O 3.08Å; P222-L351 HydrophobicContact CG-CD2 4.48Å
223R98.2Very high97.6Very high88 Ų8867.9 Ų67.933%0.33238%0.377SS..  trans-110.889.4179-66.8-176-72.5-92.87.3109.5F221 S226 A248F221-R223 PolarHBondContact O-N 3.27Å; R223-S226 WeakPolarHBondContact O-CB 3.26Å; R223-S226 PolarHBondContact O-N 2.7Å; R223-S226 PolarHBondContact O-OG 2.9Å; R223-A248 PolarHBondContact NH2-O 2.86Å
224H98.4Very high97.6Very high103 Ų10366.2 Ų66.248%0.47736%0.362SS..THydrogen-bonded Turntrans-59.1145.9-179.7-65.6-177.8000111.9E190 Q193 S226E190-H224 HydrophobicContact CG-CB 4.2Å; E190-H224 VanDerWaalsContact OE2-CA 3.27Å; E190-H224 WeakPolarHBondContact OE2-CA 3.45Å; E190-H224 IonicContact OE2-CG 3.32Å; Q193-H224 PolarHBondContact OE1-NE2 3.23Å; H224-S226 VanDerWaalsContact C-N 3.27Å; H224-S226 PolarHBondContact O-N 3.4Å
225G98Very high97.6Very high50 Ų5071.1 Ų71.152%0.51538%0.377SS..THydrogen-bonded Turntrans72.217.2-17800000114.7E190 N227E190-G225 PolarHBondContact OE2-N 3.28Å; G225-N227 PolarHBondContact O-ND2 3.35Å
226S98Very high97.6Very high19 Ų1968.1 Ų68.113%0.13337%0.367CS..  trans-56.9137.3175.4-77.20000111.5N187 R223 H224N187-S226 PolarHBondContact OD1-O 2.75Å; R223-S226 WeakPolarHBondContact O-CB 3.26Å; R223-S226 PolarHBondContact O-N 2.7Å; R223-S226 PolarHBondContact O-OG 2.9Å; H224-S226 VanDerWaalsContact C-N 3.27Å; H224-S226 PolarHBondContact O-N 3.4Å
227N97.9Very high97.5Very high67 Ų6770.1 Ų70.136%0.35838%0.381SS..  trans-147155.6-178.160.976.4000111.7G225 A229 T230 M231G225-N227 PolarHBondContact O-ND2 3.35Å; N227-A229 VanDerWaalsContact C-N 3.27Å; N227-A229 PolarHBondContact O-N 3.02Å; N227-A229 PolarHBondContact OD1-N 2.9Å; N227-T230 PolarHBondContact ND2-OG1 3.08Å; N227-T230 PolarHBondContact O-N 3.43Å; N227-T230 VanDerWaalsContact O-N 3.12Å; N227-T230 PolarHBondContact OD1-N 2.97Å; N227-T230 PolarHBondContact OD1-OG1 3.43Å; N227-M231 PolarHBondContact O-N 3.14Å; N227-M231 VanDerWaalsContact O-N 3.1Å
228V97.3Very high97.4Very high66 Ų6667.1 Ų67.140%0.437%0.368SS..Hα-helixtrans-60.5-36.8-175.2179.40000111.7L180 V183 T230 M231 S232L180-V228 HydrophobicContact CD1-CG2 4.08Å; V183-V228 HydrophobicContact CB-CG2 4.44Å; V183-V228 HydrophobicContact CG2-CG2 4.04Å; V228-T230 PolarHBondContact O-N 3.41Å; V228-M231 PolarHBondContact O-N 3.23Å; V228-S232 WeakPolarHBondContact O-CB 3.27Å; V228-S232 PolarHBondContact O-N 3.41Å; V228-S232 PolarHBondContact O-OG 3.11Å
229A96.3Very high97.3Very high60 Ų6064.4 Ų64.450%0.49635%0.352SS..Hα-helixtrans-64.2-27.4-179.800000113.5N227 S232 K233N227-A229 VanDerWaalsContact C-N 3.27Å; N227-A229 PolarHBondContact O-N 3.02Å; N227-A229 PolarHBondContact OD1-N 2.9Å; A229-S232 PolarHBondContact O-OG 3.06Å; A229-K233 VanDerWaalsContact O-CE 3.3Å; A229-K233 WeakPolarHBondContact O-CE 3.36Å; A229-K233 WeakPolarHBondContact O-CG 3.46Å
230T95.7Very high96.7Very high79 Ų7973.9 Ų73.949%0.48539%0.393SS..Hα-helixtrans-86.1-41.7175.3-52.40000110.8N227 V228 S232 K233N227-T230 PolarHBondContact ND2-OG1 3.08Å; N227-T230 PolarHBondContact O-N 3.43Å; N227-T230 VanDerWaalsContact O-N 3.12Å; N227-T230 PolarHBondContact OD1-N 2.97Å; N227-T230 PolarHBondContact OD1-OG1 3.43Å; V228-T230 PolarHBondContact O-N 3.41Å; T230-S232 PolarHBondContact O-N 3.46Å; T230-K233 PolarHBondContact O-N 3.15Å
231M95.8Very high96.3Very high10 Ų1074.8 Ų74.85%0.04940%0.4CS..Hα-helixtrans-61.8-41.4178.3-67.9-63.6-169.900112.3R175 D179 V183 Q186 N227 V228 K233 L234R175-M231 PolarHBondContact NH2-O 2.92Å; D179-M231 HydrophobicContact CB-CB 3.95Å; V183-M231 HydrophobicContact CG2-CB 4.48Å; V183-M231 HydrophobicContact CG2-CE 4.43Å; V183-M231 HydrophobicContact CG2-CG 3.64Å; Q186-M231 HydrophobicContact CG-CE 4.28Å; N227-M231 PolarHBondContact O-N 3.14Å; N227-M231 VanDerWaalsContact O-N 3.1Å; V228-M231 PolarHBondContact O-N 3.23Å; M231-K233 PolarHBondContact O-N 3.4Å; M231-K233 VanDerWaalsContact O-N 3.13Å; M231-L234 WeakPolarHBondContact O-CB 2.99Å; M231-L234 WeakPolarHBondContact O-CG 3.29Å; M231-L234 PolarHBondContact O-N 3.26Å; M231-L234 HydrophobicContact SD-CD1 4.06Å
232S96.3Very high95.8Very high68 Ų6879.6 Ų79.648%0.47644%0.437SS..THydrogen-bonded Turntrans-63.9-20.9-177.666.30000114D179 V228 A229 T230 L234D179-S232 WeakPolarHBondContact OD2-CA 3.49Å; D179-S232 PolarHBondContact OD2-N 2.97Å; V228-S232 WeakPolarHBondContact O-CB 3.27Å; V228-S232 PolarHBondContact O-N 3.41Å; V228-S232 PolarHBondContact O-OG 3.11Å; A229-S232 PolarHBondContact O-OG 3.06Å; T230-S232 PolarHBondContact O-N 3.46Å; S232-L234 VanDerWaalsContact C-N 3.32Å
233K97.3Very high95.5Very high166 Ų16682.4 Ų82.472%0.72246%0.457SS*.THydrogen-bonded Turntrans-79.9-13.1177.8-64.3174.8-175.6174.70113.4A229 T230 M231A229-K233 VanDerWaalsContact O-CE 3.3Å; A229-K233 WeakPolarHBondContact O-CE 3.36Å; A229-K233 WeakPolarHBondContact O-CG 3.46Å; T230-K233 PolarHBondContact O-N 3.15Å; M231-K233 PolarHBondContact O-N 3.4Å; M231-K233 VanDerWaalsContact O-N 3.13Å
234L97.1Very high95.4Very high66 Ų6678.6 Ų78.635%0.34645%0.446SS..PPolyproline II helixtrans-72138-178.2-61.2176.3000111R175 M231 S232 T247R175-L234 PolarHBondContact NH1-O 2.98Å; R175-L234 VanDerWaalsContact NH1-O 3.08Å; R175-L234 PolarHBondContact NH2-O 3.3Å; M231-L234 WeakPolarHBondContact O-CB 2.99Å; M231-L234 WeakPolarHBondContact O-CG 3.29Å; M231-L234 PolarHBondContact O-N 3.26Å; M231-L234 HydrophobicContact SD-CD1 4.06Å; S232-L234 VanDerWaalsContact C-N 3.32Å; L234-T247 HydrophobicContact CB-CG2 4.09Å
235K97.1Very high95.4Very high180 Ų18074.8 Ų74.878%0.78343%0.429SS*.PPolyproline II helixtrans-79.1144.4176.4-64.8-177.2-179.5-179.80110.4
236P97.6Very high95.5Very high42 Ų4272.4 Ų72.427%0.27341%0.405SS..PPolyproline II helixtrans-54.9141.3170-27.737.2000112.8V239 G244 V246P236-V239 VanDerWaalsContact CB-O 3.25Å; P236-V239 WeakPolarHBondContact CB-O 3.45Å; P236-G244 WeakPolarHBondContact CG-O 3.2Å; P236-V246 CarbonylContact C-O 3.59Å; P236-V246 VanDerWaalsContact CA-O 3.28Å; P236-V246 WeakPolarHBondContact CA-O 3.35Å
237C96.1Very high95.5Very high65 Ų6571.5 Ų71.544%0.43940%0.399SS..SBendtrans-92.5-33.8-175.3-69.20000113.4V246 A248C237-V246 PolarHBondContact N-O 3.04Å; C237-A248 PolarHBondContact SG-N 3.04Å
238F95.9Very high95.5Very high57 Ų5771.3 Ų71.325%0.2541%0.406CS..SBendtrans-110.6-44.5-166.1-56.6-75000113.3H159 I162 V246 F324H159-F238 HydrophobicContact CB-CD1 4.06Å; H159-F238 HydrophobicContact CB-CE1 4.15Å; H159-F238 AromaticContact CD2-CE1 3.87Å; H159-F238 AromaticContact CE1-CE1 3.57Å; H159-F238 AromaticContact CE1-CZ 3.92Å; H159-F238 AromaticContact CG-CD1 3.99Å; H159-F238 AromaticContact CG-CE1 3.55Å; H159-F238 AromaticContact ND1-CE1 3.36Å; H159-F238 WeakPolarHBondContact ND1-CE1 3.3Å; H159-F238 AromaticContact ND1-CZ 3.94Å; H159-F238 AromaticContact NE2-CE1 3.88Å; I162-F238 HydrophobicContact CD1-CB 3.71Å; I162-F238 HydrophobicContact CG1-CB 4.35Å; F238-V246 HydrophobicContact CD2-CB 4.03Å; F238-V246 HydrophobicContact CD2-CG1 3.7Å; F238-V246 HydrophobicContact CE2-CB 4.45Å; F238-V246 HydrophobicContact CE2-CG1 3.62Å; F238-F324 AromaticContact CE2-CE1 3.87Å; F238-F324 HydrophobicContact CE2-CE1 3.87Å; F238-F324 HydrophobicContact CZ-CE1 4.2Å
239V95.4Very high95.5Very high31 Ų3168.2 Ų68.219%0.18839%0.388CS..  trans-104.2121.4172.3175.30000108.3I162 E165 P236 D241I162-V239 HydrophobicContact CD1-CG2 3.7Å; E165-V239 HydrophobicContact CB-CG2 4.33Å; E165-V239 HydrophobicContact CG-CG2 3.93Å; P236-V239 VanDerWaalsContact CB-O 3.25Å; P236-V239 WeakPolarHBondContact CB-O 3.45Å; V239-D241 VanDerWaalsContact CG1-OD1 3.28Å; V239-D241 WeakPolarHBondContact CG1-OD1 3.44Å
240K86.9Confident95.6Very high206 Ų20665.3 Ų65.390%0.89636%0.364SS*.  trans-90.2-11.9-170.3-66.6-174.9179.3177.90114.7
241D90.6Very high95.8Very high99 Ų9961.9 Ų61.953%0.52934%0.344SS..SBendtrans-83.6-177.117566.734.6000111.4V239 S243 G244V239-D241 VanDerWaalsContact CG1-OD1 3.28Å; V239-D241 WeakPolarHBondContact CG1-OD1 3.44Å; D241-S243 PolarHBondContact O-N 2.99Å; D241-S243 VanDerWaalsContact O-N 3.13Å; D241-S243 WeakPolarHBondContact OD1-CA 3.27Å; D241-S243 VanDerWaalsContact OD1-CB 3.26Å; D241-S243 WeakPolarHBondContact OD1-CB 3.43Å; D241-S243 PolarHBondContact OD1-N 2.94Å; D241-S243 PolarHBondContact OD1-OG 2.8Å; D241-G244 PolarHBondContact O-N 3.35Å
242S86.9Confident95.9Very high132 Ų13262.6 Ų62.692%0.92335%0.349SS*.THydrogen-bonded Turntrans-68.8-5.1-177.858.10000114.6
243S92.6Very high96Very high76 Ų7660 Ų6053%0.53133%0.334SS..THydrogen-bonded Turntrans-90-10.8177.274.50000113.6D241D241-S243 PolarHBondContact O-N 2.99Å; D241-S243 VanDerWaalsContact O-N 3.13Å; D241-S243 WeakPolarHBondContact OD1-CA 3.27Å; D241-S243 VanDerWaalsContact OD1-CB 3.26Å; D241-S243 WeakPolarHBondContact OD1-CB 3.43Å; D241-S243 PolarHBondContact OD1-N 2.94Å; D241-S243 PolarHBondContact OD1-OG 2.8Å
244G96.9Very high96Very high9 Ų954.5 Ų54.59%0.09331%0.312CS..  trans-68.6133.5176.600000112.6E165 P236 D241E165-G244 WeakPolarHBondContact OE1-CA 3.41Å; P236-G244 WeakPolarHBondContact CG-O 3.2Å; D241-G244 PolarHBondContact O-N 3.35Å
245T98.5Very high96.1Very high22 Ų2251.4 Ų51.414%0.13530%0.295CS..  trans-123.6-23.3-177.465.80000113.2E165 R175 Q178 N250E165-T245 VanDerWaalsContact CD-N 3.31Å; E165-T245 PolarHBondContact OE1-N 3.25Å; E165-T245 PolarHBondContact OE2-N 2.89Å; E165-T245 PolarHBondContact OE2-OG1 2.8Å; R175-T245 HydrophobicContact CB-CG2 4.28Å; R175-T245 WeakPolarHBondContact CD-O 3.44Å; Q178-T245 VanDerWaalsContact NE2-CB 3.3Å; Q178-T245 PolarHBondContact NE2-OG1 2.84Å; T245-N250 PolarHBondContact O-ND2 3.27Å; T245-N250 VanDerWaalsContact O-ND2 3.07Å
246V98.6Very high96.2Very high0 Ų042.8 Ų42.80%026%0.258CS..  trans-85.3126-176.4-1800000110.3A164 E165 P236 C237 F238 N250 A251 F324A164-V246 HydrophobicContact CB-CG2 3.91Å; E165-V246 HydrophobicContact CG-CB 4.36Å; E165-V246 HydrophobicContact CG-CG2 3.93Å; E165-V246 PolarHBondContact OE1-N 3.04Å; P236-V246 CarbonylContact C-O 3.59Å; P236-V246 VanDerWaalsContact CA-O 3.28Å; P236-V246 WeakPolarHBondContact CA-O 3.35Å; C237-V246 PolarHBondContact N-O 3.04Å; F238-V246 HydrophobicContact CD2-CB 4.03Å; F238-V246 HydrophobicContact CD2-CG1 3.7Å; F238-V246 HydrophobicContact CE2-CB 4.45Å; F238-V246 HydrophobicContact CE2-CG1 3.62Å; V246-N250 WeakPolarHBondContact CA-OD1 3.48Å; V246-A251 HydrophobicContact CG1-CB 4.22Å; V246-F324 HydrophobicContact CG1-CD1 3.57Å; V246-F324 HydrophobicContact CG1-CE1 3.94Å
247T98.6Very high96.3Very high0 Ų040.8 Ų40.80%025%0.245CC..  trans-126.5168.7-179.673.40000111.3L234 G249 N250 A251L234-T247 HydrophobicContact CB-CG2 4.09Å; T247-G249 PolarHBondContact O-N 3.17Å; T247-G249 VanDerWaalsContact O-N 3.13Å; T247-G249 PolarHBondContact OG1-N 3.3Å; T247-G249 VanDerWaalsContact OG1-N 3.1Å; T247-N250 PolarHBondContact N-OD1 3.29Å; T247-N250 PolarHBondContact O-N 3.21Å; T247-N250 PolarHBondContact O-OD1 3.29Å; T247-N250 PolarHBondContact OG1-N 3.47Å; T247-N250 PolarHBondContact OG1-ND2 3.45Å; T247-A251 WeakPolarHBondContact O-CB 3.48Å; T247-A251 PolarHBondContact O-N 2.65Å; T247-A251 VanDerWaalsContact O-N 3.09Å
248A97.7Very high96.4Very high63 Ų6337.7 Ų37.752%0.52122%0.224SC..THydrogen-bonded Turntrans-62.1-16.5170.800000113.7R223 C237R223-A248 PolarHBondContact NH2-O 2.86Å; C237-A248 PolarHBondContact SG-N 3.04Å
249G97.9Very high96.5Very high1 Ų135 Ų351%0.0121%0.212CC..THydrogen-bonded Turntrans-80.5-30.8177.100000113.4A182 T247A182-G249 WeakPolarHBondContact CB-O 3.38Å; T247-G249 PolarHBondContact O-N 3.17Å; T247-G249 VanDerWaalsContact O-N 3.13Å; T247-G249 PolarHBondContact OG1-N 3.3Å; T247-G249 VanDerWaalsContact OG1-N 3.1Å
250N98.6Very high96.7Very high0 Ų033.5 Ų33.50%020%0.203CC..THydrogen-bonded Turntrans-116.512.7-174.268.230.7000113.8Q178 D179 A182 T245 V246 T247 A325Q178-N250 HydrophobicContact CB-CB 4.19Å; D179-N250 PolarHBondContact OD1-ND2 2.86Å; A182-N250 HydrophobicContact CB-CB 3.89Å; T245-N250 PolarHBondContact O-ND2 3.27Å; T245-N250 VanDerWaalsContact O-ND2 3.07Å; V246-N250 WeakPolarHBondContact CA-OD1 3.48Å; T247-N250 PolarHBondContact N-OD1 3.29Å; T247-N250 PolarHBondContact O-N 3.21Å; T247-N250 PolarHBondContact O-OD1 3.29Å; T247-N250 PolarHBondContact OG1-N 3.47Å; T247-N250 PolarHBondContact OG1-ND2 3.45Å; N250-A325 HydrophobicContact CB-CB 3.99Å; N250-A325 WeakPolarHBondContact O-CB 3.48Å; N250-A325 PolarHBondContact O-N 3.22Å
251A98.6Very high97.3Very high7 Ų723.7 Ų23.76%0.05816%0.161CC..BIsolated β-bridgetrans-113.9154.9169.300000110.4V246 T247 F324V246-A251 HydrophobicContact CG1-CB 4.22Å; T247-A251 WeakPolarHBondContact O-CB 3.48Å; T247-A251 PolarHBondContact O-N 2.65Å; T247-A251 VanDerWaalsContact O-N 3.09Å; A251-F324 HydrophobicContact CB-CD1 3.46Å; A251-F324 VanDerWaalsContact CB-CD1 3.46Å; A251-F324 HydrophobicContact CB-CE1 3.63Å
252S98.3Very high97.7Very high24 Ų2419 Ų1917%0.16814%0.135CC..  trans-67.6159.9169.365.90000112E322 A323 A348 H353S252-E322 WeakPolarHBondContact CB-O 3.44Å; S252-A323 PolarHBondContact N-O 2.8Å; S252-A323 PolarHBondContact OG-O 3.49Å; S252-A348 VanDerWaalsContact CB-O 3.29Å; S252-A348 WeakPolarHBondContact CB-O 3.37Å; S252-H353 VanDerWaalsContact OG-CB 3.32Å; S252-H353 WeakPolarHBondContact OG-CB 3.45Å
253G97.9Very high98.2Very high14 Ų1412.7 Ų12.714%0.1449%0.092CC..  trans-76.9178.3174.600000114.6N255G253-N255 VanDerWaalsContact CA-OD1 3.27Å; G253-N255 WeakPolarHBondContact CA-OD1 3.4Å; G253-N255 PolarHBondContact O-OD1 3.1Å
254I98.6Very high98.4Very high51 Ų519.1 Ų9.126%0.2627%0.066SC..  trans-99.2126.4161.1-65.8174.4000106L21 M122 M146 L151L21-I254 HydrophobicContact CB-CB 4.1Å; L21-I254 HydrophobicContact CB-CG2 3.95Å; L21-I254 WeakPolarHBondContact CB-O 3.34Å; L21-I254 HydrophobicContact CD1-CG2 3.81Å; L21-I254 HydrophobicContact CD2-CB 4.26Å; L21-I254 HydrophobicContact CD2-CD1 4.32Å; L21-I254 HydrophobicContact CD2-CG2 4.06Å; L21-I254 HydrophobicContact CG-CG2 4.14Å; L21-I254 PolarHBondContact N-O 2.94Å; M122-I254 HydrophobicContact CB-CG2 3.51Å; M122-I254 HydrophobicContact CE-CB 4.44Å; M122-I254 HydrophobicContact CE-CG1 4.3Å; M122-I254 HydrophobicContact CE-CG2 3.84Å; M122-I254 HydrophobicContact CG-CG2 4.24Å; M122-I254 HydrophobicContact SD-CB 4.41Å; M122-I254 HydrophobicContact SD-CG2 3.79Å; M146-I254 HydrophobicContact CE-CD1 3.75Å; M146-I254 HydrophobicContact CE-CG2 4.36Å; M146-I254 HydrophobicContact SD-CD1 3.95Å; M146-I254 HydrophobicContact SD-CG1 4.43Å; M146-I254 HydrophobicContact SD-CG2 3.38Å; M146-I254 WeakPolarHBondContact SD-CG2 3.34Å; L151-I254 HydrophobicContact CD1-CD1 4.32Å
255N98.9Very high98.3Very high0 Ų09 Ų90%06%0.064CC..EExtended strand (participates in β ladder)trans-148.3163.1-163.4-64.1100.4000112.9I18 G19 M122 G253 G352 H353 P354I18-N255 HydrophobicContact CG2-CB 3.61Å; G19-N255 WeakPolarHBondContact O-CA 3.44Å; G19-N255 WeakPolarHBondContact O-CB 3.37Å; G19-N255 PolarHBondContact O-ND2 2.97Å; M122-N255 VanDerWaalsContact CG-O 3.25Å; M122-N255 WeakPolarHBondContact CG-O 3.48Å; G253-N255 VanDerWaalsContact CA-OD1 3.27Å; G253-N255 WeakPolarHBondContact CA-OD1 3.4Å; G253-N255 PolarHBondContact O-OD1 3.1Å; N255-G352 VanDerWaalsContact CG-CA 3.48Å; N255-G352 WeakPolarHBondContact OD1-CA 3.23Å; N255-H353 PolarHBondContact OD1-N 2.93Å; N255-P354 HydrophobicContact CB-CB 4.41Å; N255-P354 HydrophobicContact CB-CG 3.68Å; N255-P354 WeakPolarHBondContact O-CA 3.17Å; N255-P354 WeakPolarHBondContact O-CB 3.5Å
256D98.9Very high98.1Very high0 Ų010.9 Ų10.90%07%0.071CC..EExtended strand (participates in β ladder)trans-116.1145.8177-57.2-41.8000110.6G19 L25 E120 S121 M122 S123G19-D256 PolarHBondContact N-O 2.61Å; G19-D256 PolarHBondContact O-N 3.34Å; G19-D256 VanDerWaalsContact O-N 3.1Å; L25-D256 HydrophobicContact CB-CB 4.02Å; E120-D256 WeakPolarHBondContact O-CA 3.17Å; S121-D256 WeakPolarHBondContact CA-OD1 3.25Å; S121-D256 PolarHBondContact OG-OD1 3Å; M122-D256 PolarHBondContact N-OD1 3.47Å; S123-D256 WeakPolarHBondContact CB-OD2 3.35Å; S123-D256 PolarHBondContact N-OD1 3.19Å; S123-D256 VanDerWaalsContact OG-CG 3.26Å; S123-D256 PolarHBondContact OG-OD1 2.8Å; S123-D256 PolarHBondContact OG-OD2 3.36Å
257G98.8Very high97.8Very high0 Ų014.2 Ų14.20%010%0.095CC..EExtended strand (participates in β ladder)trans169.5174.1170.800000114.8T16 M119 E120 M357T16-G257 VanDerWaalsContact OG1-CA 3.26Å; T16-G257 WeakPolarHBondContact OG1-CA 3.3Å; M119-G257 WeakPolarHBondContact CA-O 3.5Å; E120-G257 PolarHBondContact N-O 2.89Å; E120-G257 PolarHBondContact O-N 2.94Å; G257-M357 VanDerWaalsContact CA-SD 3.5Å
258A98.9Very high97.6Very high0 Ų015.1 Ų15.10%010%0.099CC..EExtended strand (participates in β ladder)trans-139.2149.3171.300000112.2R15 T16 L33 C34 V37 G118 M119 M357R15-A258 CarbonylContact C-O 3.55Å; R15-A258 VanDerWaalsContact CA-O 3.25Å; R15-A258 WeakPolarHBondContact CA-O 3.49Å; T16-A258 HydrophobicContact CG2-CB 4.06Å; T16-A258 PolarHBondContact N-O 3.06Å; T16-A258 PolarHBondContact OG1-N 3.14Å; T16-A258 PolarHBondContact OG1-O 3.38Å; L33-A258 HydrophobicContact CG-CB 4.26Å; C34-A258 HydrophobicContact CB-CB 3.94Å; V37-A258 HydrophobicContact CG2-CB 4.26Å; G118-A258 CarbonylContact O-C 3.53Å; G118-A258 WeakPolarHBondContact O-CA 3.4Å; M119-A258 HydrophobicContact CB-CB 3.85Å; A258-M357 VanDerWaalsContact C-CE 3.44Å; A258-M357 PolarHBondContact N-SD 3.2Å; A258-M357 VanDerWaalsContact N-SD 3.36Å; A258-M357 WeakPolarHBondContact O-CE 3.36Å
259A98.9Very high97.4Very high0 Ų012.1 Ų12.10%07%0.074CC..EExtended strand (participates in β ladder)trans-138.9143.2175.100000109.3A14 R15 G117 G118 M357 C360 R361 V364A14-A259 WeakPolarHBondContact O-CA 3.34Å; R15-A259 HydrophobicContact CB-CB 3.91Å; G117-A259 CarbonylContact C-O 3.47Å; G117-A259 VanDerWaalsContact CA-O 3.25Å; G117-A259 WeakPolarHBondContact CA-O 3.24Å; G118-A259 PolarHBondContact N-O 3.16Å; G118-A259 PolarHBondContact O-N 3.33Å; G118-A259 VanDerWaalsContact O-O 3.13Å; A259-M357 HydrophobicContact CB-CE 4.02Å; A259-M357 HydrophobicContact CB-CG 3.91Å; A259-C360 HydrophobicContact CB-CB 3.88Å; A259-R361 HydrophobicContact CB-CB 4.41Å; A259-V364 HydrophobicContact CB-CG2 4.17Å
260A98.9Very high97.2Very high0 Ų014.5 Ų14.50%09%0.091CC..EExtended strand (participates in β ladder)trans-142.2159.2177.600000111.7A13 A14 V37 V41 V115 A116A13-A260 WeakPolarHBondContact CA-O 3.19Å; A14-A260 PolarHBondContact N-O 3.15Å; A14-A260 PolarHBondContact O-N 3.01Å; V37-A260 HydrophobicContact CG1-CB 3.88Å; V41-A260 HydrophobicContact CG1-CB 4.25Å; V41-A260 HydrophobicContact CG2-CB 3.96Å; V115-A260 HydrophobicContact CG1-CB 4.4Å; A116-A260 CarbonylContact O-C 3.55Å
261T98.9Very high97Very high0 Ų022.5 Ų22.50%012%0.121CC..EExtended strand (participates in β ladder)trans-134.9151.817459.60000109.4I10 S12 A13 V115 A116I10-T261 HydrophobicContact CG2-CG2 4.19Å; S12-T261 CarbonylContact O-C 3.6Å; S12-T261 WeakPolarHBondContact O-CA 3.41Å; A13-T261 HydrophobicContact CB-CG2 3.97Å; V115-T261 WeakPolarHBondContact CA-O 3.15Å; A116-T261 PolarHBondContact N-O 3.34Å; A116-T261 PolarHBondContact O-N 3.35Å; A116-T261 PolarHBondContact O-OG1 3.29Å
262V98.9Very high96.7Very high0 Ų025.3 Ų25.30%013%0.13CC..EExtended strand (participates in β ladder)trans-104.7123.2164.9178.70000108.3V11 S12 V41 L42 A45 V47 V113 V115 M264V11-V262 HydrophobicContact CG2-CB 3.72Å; V11-V262 HydrophobicContact CG2-CG1 3.61Å; V11-V262 WeakPolarHBondContact CG2-O 3.04Å; V11-V262 PolarHBondContact N-O 3.18Å; S12-V262 PolarHBondContact O-N 3.4Å; S12-V262 WeakPolarHBondContact OG-CB 3.48Å; S12-V262 WeakPolarHBondContact OG-CG2 3.37Å; V41-V262 HydrophobicContact CB-CG2 3.95Å; V41-V262 HydrophobicContact CG2-CG2 3.75Å; L42-V262 HydrophobicContact CD2-CG2 4.04Å; A45-V262 HydrophobicContact CB-CB 4.06Å; A45-V262 HydrophobicContact CB-CG1 4.03Å; A45-V262 HydrophobicContact CB-CG2 4.08Å; V47-V262 HydrophobicContact CG2-CG1 4.42Å; V113-V262 HydrophobicContact CG1-CG1 3.86Å; V115-V262 HydrophobicContact CG2-CG2 4.44Å; V262-M264 HydrophobicContact CG1-CE 4.24Å
263L98.8Very high96.4Very high0 Ų026.8 Ų26.80%015%0.149CC..EExtended strand (participates in β ladder)trans-105.2143.4176.2-50.2-177.2000109.5V8 V9 I10 V99 I106 V113 V114 A116 I280V8-L263 HydrophobicContact CG1-CB 4.22Å; V9-L263 WeakPolarHBondContact O-CA 3.27Å; I10-L263 HydrophobicContact CB-CD2 4.32Å; I10-L263 HydrophobicContact CG1-CD2 3.6Å; V99-L263 HydrophobicContact CG1-CD1 4Å; V99-L263 HydrophobicContact CG1-CD2 4.02Å; V99-L263 WeakPolarHBondContact O-CD1 3.21Å; I106-L263 HydrophobicContact CD1-CB 3.66Å; V113-L263 WeakPolarHBondContact CA-O 3.21Å; V114-L263 HydrophobicContact CB-CB 4.34Å; V114-L263 PolarHBondContact N-O 3.24Å; V114-L263 PolarHBondContact O-N 2.99Å; A116-L263 HydrophobicContact CB-CD1 3.93Å; A116-L263 HydrophobicContact CB-CG 4.35Å; L263-I280 HydrophobicContact CD2-CD1 4.12Å
264M97.1Very high96.1Very high0 Ų026.8 Ų26.80%015%0.146CC..EExtended strand (participates in β ladder)trans-148.8165.4167.558.8-173.764.100110V9 V11 V47 T112 V113 V262 E268 A269V9-M264 HydrophobicContact CG2-CG 3.81Å; V9-M264 WeakPolarHBondContact CG2-O 3.25Å; V9-M264 PolarHBondContact N-O 2.9Å; V9-M264 PolarHBondContact O-N 3.33Å; V9-M264 VanDerWaalsContact O-N 3.08Å; V11-M264 HydrophobicContact CB-CE 4.13Å; V11-M264 HydrophobicContact CG1-CE 3.74Å; V11-M264 HydrophobicContact CG1-CG 3.71Å; V11-M264 HydrophobicContact CG1-SD 3.51Å; V11-M264 VanDerWaalsContact CG1-SD 3.51Å; V11-M264 HydrophobicContact CG2-CE 3.42Å; V11-M264 VanDerWaalsContact CG2-CE 3.42Å; V11-M264 HydrophobicContact CG2-SD 4.36Å; V47-M264 HydrophobicContact CG2-CE 4.03Å; T112-M264 WeakPolarHBondContact O-CA 3.29Å; V113-M264 HydrophobicContact CG2-CB 4.45Å; V262-M264 HydrophobicContact CG1-CE 4.24Å; M264-E268 HydrophobicContact CB-CB 4.45Å; M264-E268 HydrophobicContact CB-CG 4.43Å; M264-A269 HydrophobicContact CG-CB 3.89Å; M264-A269 WeakPolarHBondContact SD-CA 3.45Å; M264-A269 HydrophobicContact SD-CB 3.48Å; M264-A269 WeakPolarHBondContact SD-CB 3.4Å
265S94.9Very high95.7Very high7 Ų731.3 Ų31.35%0.04916%0.164CC..EExtended strand (participates in β ladder)trans-66.2151167.586.20000110.4E6 S267 E268 A269E6-S265 WeakPolarHBondContact OE1-CB 3.41Å; E6-S265 PolarHBondContact OE1-OG 2.86Å; S265-S267 VanDerWaalsContact C-N 3.25Å; S265-S267 PolarHBondContact O-N 3.42Å; S265-S267 PolarHBondContact OG-OG 2.81Å; S265-E268 PolarHBondContact O-N 3.47Å; S265-E268 WeakPolarHBondContact OG-CB 3.33Å; S265-E268 PolarHBondContact OG-N 3.31Å; S265-A269 PolarHBondContact O-N 3.42Å
266Q93Very high95.5Very high61 Ų6131.6 Ų31.629%0.28517%0.166SC..Hα-helixtrans-62.5-35.6179.5-177.8171.8-6.500111.5P7 V9 E268 A269 S270 F402P7-Q266 HydrophobicContact CB-CB 3.92Å; P7-Q266 VanDerWaalsContact CB-OE1 3.23Å; P7-Q266 WeakPolarHBondContact O-CB 3.11Å; P7-Q266 PolarHBondContact O-N 3.46Å; V9-Q266 HydrophobicContact CG1-CB 3.97Å; V9-Q266 HydrophobicContact CG1-CG 4.26Å; Q266-E268 VanDerWaalsContact C-N 3.35Å; Q266-A269 PolarHBondContact O-N 2.99Å; Q266-S270 PolarHBondContact O-N 3.45Å; Q266-S270 PolarHBondContact O-OG 3.45Å; Q266-F402 HydrophobicContact CG-CE2 4.45Å
267S92.6Very high95.4Very high70 Ų7033.6 Ų33.649%0.4918%0.176SC..Hα-helixtrans-66.9-37.6177.675.50000111.8E6 S265 S270 R271E6-S267 VanDerWaalsContact OE1-CB 3.26Å; E6-S267 WeakPolarHBondContact OE1-CB 3.24Å; E6-S267 PolarHBondContact OE1-OG 3.03Å; S265-S267 VanDerWaalsContact C-N 3.25Å; S265-S267 PolarHBondContact O-N 3.42Å; S265-S267 PolarHBondContact OG-OG 2.81Å; S267-S270 PolarHBondContact O-N 2.96Å; S267-R271 WeakPolarHBondContact O-CB 3.48Å; S267-R271 PolarHBondContact O-N 2.91Å
268E94.6Very high95.4Very high19 Ų1933.6 Ų33.69%0.08918%0.176CC..Hα-helixtrans-67.5-41.4176.1-178.967.917500111.5T112 M264 S265 Q266 S270 R271 R272T112-E268 HydrophobicContact CG2-CB 4.03Å; T112-E268 HydrophobicContact CG2-CG 3.58Å; M264-E268 HydrophobicContact CB-CB 4.45Å; M264-E268 HydrophobicContact CB-CG 4.43Å; S265-E268 PolarHBondContact O-N 3.47Å; S265-E268 WeakPolarHBondContact OG-CB 3.33Å; S265-E268 PolarHBondContact OG-N 3.31Å; Q266-E268 VanDerWaalsContact C-N 3.35Å; E268-S270 VanDerWaalsContact C-N 3.34Å; E268-S270 PolarHBondContact O-N 3.48Å; E268-R271 VanDerWaalsContact CD-NH2 3.3Å; E268-R271 PolarHBondContact O-N 3.21Å; E268-R271 IonicContact OE1-CZ 3.7Å; E268-R271 IonicContact OE1-NE 3.85Å; E268-R271 IonicContact OE1-NH2 2.73Å; E268-R271 PolarHBondContact OE1-NH2 3.35Å; E268-R271 IonicContact OE2-CZ 3.35Å; E268-R271 IonicContact OE2-NE 2.73Å; E268-R271 PolarHBondContact OE2-NE 3.13Å; E268-R271 IonicContact OE2-NH2 3.13Å; E268-R271 PolarHBondContact OE2-NH2 3.05Å; E268-R271 VanDerWaalsContact OE2-NH2 3.13Å; E268-R272 WeakPolarHBondContact O-CB 3Å; E268-R272 VanDerWaalsContact O-CG 3.31Å; E268-R272 WeakPolarHBondContact O-CG 3.31Å; E268-R272 PolarHBondContact O-N 2.83Å; E268-R272 IonicContact OE1-CZ 2.76Å; E268-R272 IonicContact OE1-NE 2.69Å; E268-R272 PolarHBondContact OE1-NE 3.1Å; E268-R272 IonicContact OE1-NH2 3.54Å; E268-R272 PolarHBondContact OE1-NH2 2.94Å
269A94.3Very high95.4Very high0 Ų037 Ų370%019%0.191CC..Hα-helixtrans-57.5-47.8173.200000111.4V9 V11 M264 S265 Q266 R272 G273 V274 P276 F402V9-A269 HydrophobicContact CG2-CB 3.84Å; V11-A269 HydrophobicContact CG1-CB 4.42Å; M264-A269 HydrophobicContact CG-CB 3.89Å; M264-A269 WeakPolarHBondContact SD-CA 3.45Å; M264-A269 HydrophobicContact SD-CB 3.48Å; M264-A269 WeakPolarHBondContact SD-CB 3.4Å; S265-A269 PolarHBondContact O-N 3.42Å; Q266-A269 PolarHBondContact O-N 2.99Å; A269-R272 PolarHBondContact O-N 3.44Å; A269-G273 PolarHBondContact O-N 3.47Å; A269-V274 PolarHBondContact O-N 3.16Å; A269-P276 HydrophobicContact CB-CG 4.08Å; A269-F402 HydrophobicContact CB-CZ 4.08Å
270S93Very high95.3Very high52 Ų5237.3 Ų37.336%0.36419%0.192SC..Hα-helixtrans-62.8-44.5176.8-64.20000112.1Q266 S267 E268 R272 G273 F402Q266-S270 PolarHBondContact O-N 3.45Å; Q266-S270 PolarHBondContact O-OG 3.45Å; S267-S270 PolarHBondContact O-N 2.96Å; E268-S270 VanDerWaalsContact C-N 3.34Å; E268-S270 PolarHBondContact O-N 3.48Å; S270-R272 PolarHBondContact O-N 3.19Å; S270-G273 PolarHBondContact O-N 3.37Å; S270-F402 WeakPolarHBondContact OG-CZ 3.36Å
271R93.6Very high95.3Very high168 Ų16839.2 Ų39.263%0.63420%0.204SC*.Hα-helixtrans-59.3-36.2178.1-170.4-172.870.178.7-0.6112.1S267 E268S267-R271 WeakPolarHBondContact O-CB 3.48Å; S267-R271 PolarHBondContact O-N 2.91Å; E268-R271 VanDerWaalsContact CD-NH2 3.3Å; E268-R271 PolarHBondContact O-N 3.21Å; E268-R271 IonicContact OE1-CZ 3.7Å; E268-R271 IonicContact OE1-NE 3.85Å; E268-R271 IonicContact OE1-NH2 2.73Å; E268-R271 PolarHBondContact OE1-NH2 3.35Å; E268-R271 IonicContact OE2-CZ 3.35Å; E268-R271 IonicContact OE2-NE 2.73Å; E268-R271 PolarHBondContact OE2-NE 3.13Å; E268-R271 IonicContact OE2-NH2 3.13Å; E268-R271 PolarHBondContact OE2-NH2 3.05Å; E268-R271 VanDerWaalsContact OE2-NH2 3.13Å
272R93Very high95.3Very high66 Ų6639.6 Ų39.625%0.24921%0.206CC..Hα-helixtrans-84.1-13178.2-67176175.3-90.4-11.2113.7E51 E268 A269 S270 V274E51-R272 IonicContact OE1-CZ 3.28Å; E51-R272 VanDerWaalsContact OE1-CZ 3.28Å; E51-R272 IonicContact OE1-NH1 2.79Å; E51-R272 PolarHBondContact OE1-NH1 2.83Å; E51-R272 IonicContact OE1-NH2 2.89Å; E51-R272 PolarHBondContact OE1-NH2 2.85Å; E51-R272 IonicContact OE2-CZ 3.87Å; E51-R272 IonicContact OE2-NH1 2.96Å; E51-R272 PolarHBondContact OE2-NH1 2.93Å; E51-R272 IonicContact OE2-NH2 3.97Å; E268-R272 WeakPolarHBondContact O-CB 3Å; E268-R272 VanDerWaalsContact O-CG 3.31Å; E268-R272 WeakPolarHBondContact O-CG 3.31Å; E268-R272 PolarHBondContact O-N 2.83Å; E268-R272 IonicContact OE1-CZ 2.76Å; E268-R272 IonicContact OE1-NE 2.69Å; E268-R272 PolarHBondContact OE1-NE 3.1Å; E268-R272 IonicContact OE1-NH2 3.54Å; E268-R272 PolarHBondContact OE1-NH2 2.94Å; A269-R272 PolarHBondContact O-N 3.44Å; S270-R272 PolarHBondContact O-N 3.19Å; R272-V274 HydrophobicContact CB-CB 4.43Å; R272-V274 HydrophobicContact CB-CG2 3.75Å; R272-V274 PolarHBondContact O-N 3.36Å
273G92.1Very high95.3Very high55 Ų5541.2 Ų41.257%0.56721%0.213SC*.THydrogen-bonded Turntrans6916.8-170.800000113.7A269 S270A269-G273 PolarHBondContact O-N 3.47Å; S270-G273 PolarHBondContact O-N 3.37Å
274V91.4Very high95.3Very high14 Ų1441.3 Ų41.39%0.08521%0.213CC..PPolyproline II helixtrans-80128.1178.9176.10000108.7V11 A269 R272 P276 F402V11-V274 HydrophobicContact CB-CG1 3.72Å; V11-V274 HydrophobicContact CG1-CG1 3.75Å; V11-V274 HydrophobicContact CG2-CG1 4.35Å; A269-V274 PolarHBondContact O-N 3.16Å; R272-V274 HydrophobicContact CB-CB 4.43Å; R272-V274 HydrophobicContact CB-CG2 3.75Å; R272-V274 PolarHBondContact O-N 3.36Å; V274-P276 VanDerWaalsContact O-CD 3.31Å; V274-P276 WeakPolarHBondContact O-CD 3.47Å; V274-F402 WeakPolarHBondContact O-CE1 3.28Å
275K90.4Very high95.4Very high145 Ų14545.7 Ų45.763%0.6323%0.234SC*.PPolyproline II helixtrans-83.2117.4-179.6-63.9-178.9-176.1178.70110
276P95.3Very high95.6Very high7 Ų746.6 Ų46.65%0.04524%0.239CC..PPolyproline II helixtrans-74.1149.1179.1-13.929.4000112.7V9 V11 A269 V274 V397 F402V9-P276 HydrophobicContact CB-CB 3.74Å; V9-P276 HydrophobicContact CB-CG 4.07Å; V9-P276 HydrophobicContact CG1-CB 4.25Å; V9-P276 HydrophobicContact CG1-CG 4.28Å; V9-P276 HydrophobicContact CG2-CB 3.94Å; V9-P276 HydrophobicContact CG2-CG 3.87Å; V11-P276 HydrophobicContact CG1-CB 4.26Å; V11-P276 HydrophobicContact CG1-CG 4.49Å; A269-P276 HydrophobicContact CB-CG 4.08Å; V274-P276 VanDerWaalsContact O-CD 3.31Å; V274-P276 WeakPolarHBondContact O-CD 3.47Å; P276-V397 HydrophobicContact CB-CG2 4.29Å; P276-F402 VanDerWaalsContact CD-CE2 3.46Å; P276-F402 HydrophobicContact CG-CD2 4.19Å; P276-F402 HydrophobicContact CG-CE1 4.39Å; P276-F402 HydrophobicContact CG-CE2 3.49Å; P276-F402 VanDerWaalsContact CG-CE2 3.49Å; P276-F402 HydrophobicContact CG-CZ 3.62Å
277M96.8Very high95.8Very high41 Ų4146.6 Ų46.620%0.20226%0.255CS..SBendtrans-72.3-47.9169.7-59.5-179.176.600110.3I10 A13 L367 R396 V397I10-M277 WeakPolarHBondContact O-CB 3.39Å; I10-M277 PolarHBondContact O-N 3.3Å; A13-M277 HydrophobicContact CB-CE 4.28Å; A13-M277 HydrophobicContact CB-SD 3.75Å; M277-L367 HydrophobicContact CE-CB 3.84Å; M277-R396 WeakPolarHBondContact O-CG 3.47Å; M277-V397 PolarHBondContact O-N 2.81Å
278A98Very high96.1Very high1 Ų145.3 Ų45.31%0.00824%0.243CC..EExtended strand (participates in β ladder)trans-157.5157-178.800000112.3V9 I10 L367 V394 E395V9-A278 WeakPolarHBondContact CA-O 3.41Å; I10-A278 PolarHBondContact N-O 2.89Å; I10-A278 PolarHBondContact O-N 2.94Å; A278-L367 HydrophobicContact CB-CD2 3.41Å; A278-L367 VanDerWaalsContact CB-CD2 3.41Å; A278-V394 HydrophobicContact CB-CB 4.11Å; A278-E395 CarbonylContact C-O 3.42Å; A278-E395 VanDerWaalsContact CA-O 3.28Å; A278-E395 WeakPolarHBondContact CA-O 3.48Å; A278-E395 WeakPolarHBondContact CB-O 3.42Å
279K98.2Very high96.3Very high71 Ų7148.6 Ų48.631%0.30926%0.261SS..EExtended strand (participates in β ladder)trans-88.2138.2166.2174173.8169.8168.70110.1P7 V9 V281 V394 E395P7-K279 HydrophobicContact CB-CD 4.12Å; V9-K279 HydrophobicContact CG1-CB 4.33Å; K279-V281 HydrophobicContact CG-CG2 4.46Å; K279-V281 PolarHBondContact O-N 2.85Å; K279-V394 CarbonylContact O-C 3.54Å; K279-V394 VanDerWaalsContact O-CA 3.26Å; K279-V394 WeakPolarHBondContact O-CA 3.26Å; K279-E395 PolarHBondContact N-O 3.22Å; K279-E395 PolarHBondContact O-N 3.19Å
280I98.6Very high96.5Very high6 Ų649.8 Ų49.83%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-78.9114.3167-58.9175.5000107.5V8 I10 V99 A103 L263 W283 M392V8-I280 HydrophobicContact CG1-CD1 4.15Å; V8-I280 PolarHBondContact O-N 2.88Å; I10-I280 HydrophobicContact CD1-CD1 4.29Å; I10-I280 HydrophobicContact CD1-CG1 4.02Å; I10-I280 HydrophobicContact CG1-CD1 4.05Å; I10-I280 HydrophobicContact CG1-CG1 3.95Å; V99-I280 HydrophobicContact CG1-CD1 3.97Å; A103-I280 HydrophobicContact CB-CD1 3.98Å; L263-I280 HydrophobicContact CD2-CD1 4.12Å; I280-W283 HydrophobicContact CG2-CE3 3.81Å; I280-W283 HydrophobicContact CG2-CZ3 4Å; I280-M392 HydrophobicContact CD1-CE 4.49Å; I280-M392 HydrophobicContact CD1-SD 4.24Å; I280-M392 HydrophobicContact CG1-SD 4.19Å; I280-M392 HydrophobicContact CG2-CE 4.39Å; I280-M392 HydrophobicContact CG2-CG 4.19Å; I280-M392 HydrophobicContact CG2-SD 4.1Å
281V98.4Very high96.7Very high40 Ų4048.5 Ų48.524%0.24226%0.26CS..EExtended strand (participates in β ladder)trans-91.7-44.4-174.4-178.60000111.1K279 A308 W310 C393 E395K279-V281 HydrophobicContact CG-CG2 4.46Å; K279-V281 PolarHBondContact O-N 2.85Å; V281-A308 HydrophobicContact CG1-CB 3.64Å; V281-W310 HydrophobicContact CB-CH2 4.26Å; V281-W310 HydrophobicContact CB-CZ2 4.08Å; V281-W310 HydrophobicContact CG1-CZ2 3.91Å; V281-W310 HydrophobicContact CG2-CH2 4Å; V281-W310 HydrophobicContact CG2-CZ2 3.77Å; V281-C393 HydrophobicContact CB-CB 4.33Å; V281-C393 PolarHBondContact N-O 3.44Å; V281-E395 HydrophobicContact CG2-CB 3.62Å
282S98.7Very high97Very high8 Ų841.2 Ų41.26%0.05623%0.234CC..EExtended strand (participates in β ladder)trans-161.9166.7178720000110.9A304 C393S282-A304 PolarHBondContact OG-O 3.48Å; S282-C393 PolarHBondContact N-O 3.44Å; S282-C393 PolarHBondContact O-N 3Å; S282-C393 WeakPolarHBondContact OG-CB 3.27Å; S282-C393 PolarHBondContact OG-SG 3Å
283W98.8Very high97.2Very high35 Ų3538.2 Ų38.213%0.13322%0.223CC..EExtended strand (participates in β ladder)trans-149.4162.2167.362.295000111C100 A103 Q104 I280 K307 A391 M392C100-W283 HydrophobicContact CB-CG 4.23Å; A103-W283 HydrophobicContact CB-CH2 4.36Å; A103-W283 HydrophobicContact CB-CZ3 4.31Å; Q104-W283 HydrophobicContact CG-CH2 4.31Å; Q104-W283 HydrophobicContact CG-CZ2 3.58Å; I280-W283 HydrophobicContact CG2-CE3 3.81Å; I280-W283 HydrophobicContact CG2-CZ3 4Å; W283-K307 WeakPolarHBondContact O-CD 3.36Å; W283-K307 PolarHBondContact O-NZ 2.92Å; W283-A391 CarbonylContact C-O 3.57Å; W283-A391 WeakPolarHBondContact CA-O 3.28Å; W283-A391 VanDerWaalsContact CB-O 3.29Å; W283-A391 WeakPolarHBondContact CB-O 3.45Å; W283-M392 HydrophobicContact CB-CB 4.46Å
284A98.8Very high97.5Very high1 Ų135.7 Ų35.71%0.00820%0.196CC..EExtended strand (participates in β ladder)trans-143.5147.4174.400000111.2A300 K303 A304 V390 A391A284-A300 WeakPolarHBondContact CB-O 3.32Å; A284-K303 HydrophobicContact CB-CB 3.79Å; A284-K303 HydrophobicContact CB-CD 4.05Å; A284-K303 HydrophobicContact CB-CG 3.8Å; A284-A304 HydrophobicContact CB-CB 3.99Å; A284-V390 WeakPolarHBondContact O-CA 3.44Å; A284-A391 PolarHBondContact N-O 3.36Å; A284-A391 PolarHBondContact O-N 2.92Å
285Q98.6Very high97.8Very high92 Ų9235.5 Ų35.543%0.4320%0.195SC..EExtended strand (participates in β ladder)trans-126.1144.7163.760.7-177.574.500108.2M90 G389M90-Q285 HydrophobicContact CE-CB 4.1Å; Q285-G389 VanDerWaalsContact CA-O 3.3Å; Q285-G389 WeakPolarHBondContact CA-O 3.26Å
286V98.8Very high98.2Very high26 Ų2628.6 Ų28.616%0.15817%0.165CC..EExtended strand (participates in β ladder)trans-144.5156.3-175.4-62.20000110P299 A300 K303 M388 G389V286-P299 HydrophobicContact CB-CB 4.43Å; V286-P299 HydrophobicContact CG1-CB 4.36Å; V286-P299 HydrophobicContact CG2-CB 4.03Å; V286-P299 HydrophobicContact CG2-CG 3.75Å; V286-A300 HydrophobicContact CG2-CB 3.88Å; V286-K303 HydrophobicContact CG1-CD 3.99Å; V286-M388 CarbonylContact O-C 3.51Å; V286-M388 WeakPolarHBondContact O-CA 3.47Å; V286-M388 WeakPolarHBondContact O-CB 3.46Å; V286-G389 PolarHBondContact N-O 2.56Å; V286-G389 PolarHBondContact O-N 2.82Å
287G98.6Very high98.4Very high61 Ų6128.2 Ų28.263%0.62916%0.163SC*.EExtended strand (participates in β ladder)trans-111.5155.7169.900000111G387G287-G387 CarbonylContact C-O 3.56Å; G287-G387 WeakPolarHBondContact CA-O 3.47Å
288L98.6Very high98.5Very high43 Ų4326.8 Ų26.823%0.22516%0.156CC..  trans-155.8178.5177.865.5160.2000109.5P290 V292 T295 G296 G387L288-P290 WeakPolarHBondContact O-CD 3.41Å; L288-V292 HydrophobicContact CD1-CG2 4.5Å; L288-T295 WeakPolarHBondContact CD1-OG1 3.35Å; L288-G296 VanDerWaalsContact CD2-CA 3.48Å; L288-G387 WeakPolarHBondContact CD2-O 3.29Å; L288-G387 PolarHBondContact N-O 3.29Å; L288-G387 WeakPolarHBondContact O-CA 3.28Å; L288-G387 VanDerWaalsContact O-O 3.13Å
289D98.4Very high98.5Very high89 Ų8929.1 Ų29.148%0.47617%0.171SC..  trans-58.2125.1175.2-171.2-40.7000110.9S291 V292 M293D289-S291 VanDerWaalsContact CG-OG 3.23Å; D289-S291 PolarHBondContact O-N 2.72Å; D289-S291 VanDerWaalsContact OD1-CB 3.27Å; D289-S291 WeakPolarHBondContact OD1-CB 3.36Å; D289-S291 PolarHBondContact OD1-N 3.28Å; D289-S291 PolarHBondContact OD1-OG 3.29Å; D289-V292 HydrophobicContact CB-CG2 4.05Å; D289-V292 PolarHBondContact O-N 3.09Å; D289-M293 PolarHBondContact O-N 3.32Å
290P98.3Very high98.6Very high25 Ų2525.7 Ų25.716%0.16216%0.156CC..G310 helixtrans-57.1-29.2178.5-23.732.5000114.3D153 F155 T163 L288 V292 M293D153-P290 WeakPolarHBondContact OD1-CB 3.36Å; F155-P290 HydrophobicContact CD2-CB 3.69Å; F155-P290 HydrophobicContact CD2-CG 3.43Å; F155-P290 VanDerWaalsContact CD2-CG 3.43Å; F155-P290 HydrophobicContact CE2-CB 4.3Å; F155-P290 HydrophobicContact CE2-CG 3.81Å; F155-P290 HydrophobicContact CG-CG 4.15Å; T163-P290 WeakPolarHBondContact CG2-O 3.2Å; L288-P290 WeakPolarHBondContact O-CD 3.41Å; P290-V292 PolarHBondContact O-N 2.94Å; P290-M293 WeakPolarHBondContact O-CB 3.35Å; P290-M293 PolarHBondContact O-N 3.19Å
291S98.4Very high98.6Very high25 Ų2525.4 Ų25.418%0.17516%0.155CC..G310 helixtrans-66.5-19.3-178680000114.1Y158 T163 N166 D289Y158-S291 VanDerWaalsContact OH-CA 3.26Å; Y158-S291 WeakPolarHBondContact OH-CA 3.47Å; Y158-S291 VanDerWaalsContact OH-CB 3.31Å; Y158-S291 WeakPolarHBondContact OH-CB 3.43Å; T163-S291 WeakPolarHBondContact CA-O 3.48Å; T163-S291 WeakPolarHBondContact CB-O 3.26Å; N166-S291 WeakPolarHBondContact CB-O 3.33Å; N166-S291 PolarHBondContact ND2-O 3.13Å; D289-S291 VanDerWaalsContact CG-OG 3.23Å; D289-S291 PolarHBondContact O-N 2.72Å; D289-S291 VanDerWaalsContact OD1-CB 3.27Å; D289-S291 WeakPolarHBondContact OD1-CB 3.36Å; D289-S291 PolarHBondContact OD1-N 3.28Å; D289-S291 PolarHBondContact OD1-OG 3.29Å
292V98.4Very high98.6Very high14 Ų1429 Ų299%0.08516%0.164CC..G310 helixtrans-127.631.4177.8-66.60000111.5N166 V167 W171 L288 D289 P290 G294 T295N166-V292 HydrophobicContact CB-CG1 4.32Å; V167-V292 HydrophobicContact CG2-CB 3.9Å; V167-V292 HydrophobicContact CG2-CG1 4.07Å; W171-V292 HydrophobicContact CZ3-CG1 4.35Å; L288-V292 HydrophobicContact CD1-CG2 4.5Å; D289-V292 HydrophobicContact CB-CG2 4.05Å; D289-V292 PolarHBondContact O-N 3.09Å; P290-V292 PolarHBondContact O-N 2.94Å; V292-G294 PolarHBondContact O-N 3.15Å; V292-T295 PolarHBondContact O-N 3.38Å; V292-T295 PolarHBondContact O-OG1 3.38Å
293M98.3Very high98.6Very high4 Ų433 Ų332%0.0218%0.18CC..G310 helixtrans-48.8-31-176.271.484.9-170.500114.2M160 T163 D289 P290 T295 G296 C383M160-M293 HydrophobicContact CB-CE 4.09Å; M160-M293 HydrophobicContact CG-CE 4.23Å; M160-M293 HydrophobicContact SD-CE 3.74Å; M160-M293 HydrophobicContact SD-CG 4.2Å; M160-M293 HydrophobicContact SD-SD 4.33Å; T163-M293 HydrophobicContact CG2-CG 4.11Å; T163-M293 VanDerWaalsContact OG1-CE 3.29Å; T163-M293 WeakPolarHBondContact OG1-CE 3.4Å; D289-M293 PolarHBondContact O-N 3.32Å; P290-M293 WeakPolarHBondContact O-CB 3.35Å; P290-M293 PolarHBondContact O-N 3.19Å; M293-T295 PolarHBondContact O-N 3.1Å; M293-G296 PolarHBondContact O-N 3.11Å; M293-C383 WeakPolarHBondContact O-CB 3.49Å; M293-C383 HydrophobicContact SD-CB 4.1Å
294G97.8Very high98.6Very high1 Ų131.3 Ų31.31%0.0117%0.173CC..G310 helixtrans-54.5-23.917600000114.1V292 G296 P297 Q327V292-G294 PolarHBondContact O-N 3.15Å; G294-G296 VanDerWaalsContact C-N 3.34Å; G294-P297 VanDerWaalsContact O-CD 3.28Å; G294-P297 WeakPolarHBondContact O-CD 3.41Å; G294-Q327 PolarHBondContact O-OE1 3.44Å
295T98.7Very high98.6Very high10 Ų1031.6 Ų31.66%0.06118%0.175CC..G310 helixtrans-86.2-2.7179.863.20000114V167 W171 L288 V292 M293 P297 I298 P299 A330V167-T295 HydrophobicContact CG1-CG2 4.03Å; V167-T295 HydrophobicContact CG2-CG2 3.85Å; W171-T295 HydrophobicContact CE3-CG2 4.31Å; W171-T295 HydrophobicContact CH2-CG2 3.65Å; W171-T295 HydrophobicContact CZ2-CG2 3.89Å; W171-T295 HydrophobicContact CZ3-CG2 3.86Å; L288-T295 WeakPolarHBondContact CD1-OG1 3.35Å; V292-T295 PolarHBondContact O-N 3.38Å; V292-T295 PolarHBondContact O-OG1 3.38Å; M293-T295 PolarHBondContact O-N 3.1Å; T295-P297 VanDerWaalsContact C-N 3.28Å; T295-P297 VanDerWaalsContact O-N 3.14Å; T295-I298 HydrophobicContact CG2-CD1 4.26Å; T295-I298 WeakPolarHBondContact O-CB 3.23Å; T295-I298 PolarHBondContact O-N 3.29Å; T295-P299 WeakPolarHBondContact O-CD 3.29Å; T295-A330 HydrophobicContact CG2-CB 4.49Å
296G98.8Very high98.6Very high0 Ų034.2 Ų34.20%019%0.187CC..THydrogen-bonded Turntrans-50.9-33.8178.400000116.3L288 M293 G294 I298 P299 A300L288-G296 VanDerWaalsContact CD2-CA 3.48Å; M293-G296 PolarHBondContact O-N 3.11Å; G294-G296 VanDerWaalsContact C-N 3.34Å; G296-I298 PolarHBondContact O-N 3.36Å; G296-P299 VanDerWaalsContact O-CD 3.3Å; G296-P299 WeakPolarHBondContact O-CD 3.32Å; G296-P299 WeakPolarHBondContact O-CG 3.16Å; G296-A300 WeakPolarHBondContact O-CB 3.5Å; G296-A300 PolarHBondContact O-N 3.41Å
297P98.8Very high98.6Very high0 Ų038.7 Ų38.70%021%0.205CC..Hα-helixtrans-57.5-31.8172.7-29.338.2000114.3G294 T295 A300 I301 V320 V331 S381 C383G294-P297 VanDerWaalsContact O-CD 3.28Å; G294-P297 WeakPolarHBondContact O-CD 3.41Å; T295-P297 VanDerWaalsContact C-N 3.28Å; T295-P297 VanDerWaalsContact O-N 3.14Å; P297-A300 PolarHBondContact O-N 3.3Å; P297-I301 HydrophobicContact CB-CD1 4.06Å; P297-I301 VanDerWaalsContact O-CB 3.24Å; P297-I301 WeakPolarHBondContact O-CB 3.43Å; P297-I301 WeakPolarHBondContact O-CG1 3.33Å; P297-I301 PolarHBondContact O-N 3.1Å; P297-V320 HydrophobicContact CB-CG1 4.31Å; P297-V320 HydrophobicContact CG-CG1 4.45Å; P297-V331 HydrophobicContact CB-CG1 3.94Å; P297-V331 HydrophobicContact CB-CG2 3.86Å; P297-V331 HydrophobicContact CG-CG2 4.06Å; P297-S381 WeakPolarHBondContact CB-OG 3.39Å; P297-C383 HydrophobicContact CG-CB 4.14Å
298I98.9Very high98.6Very high11 Ų1136.7 Ų36.76%0.05618%0.182CC..Hα-helixtrans-57.3-61.3-178.7-70.9148.5000111.2T295 G296 A300 R302 V331 E334 L335T295-I298 HydrophobicContact CG2-CD1 4.26Å; T295-I298 WeakPolarHBondContact O-CB 3.23Å; T295-I298 PolarHBondContact O-N 3.29Å; G296-I298 PolarHBondContact O-N 3.36Å; I298-A300 VanDerWaalsContact C-N 3.32Å; I298-A300 PolarHBondContact O-N 3.06Å; I298-R302 WeakPolarHBondContact O-CG 3.39Å; I298-R302 PolarHBondContact O-N 3.26Å; I298-R302 VanDerWaalsContact O-N 3.16Å; I298-V331 HydrophobicContact CD1-CG2 4.15Å; I298-V331 HydrophobicContact CG1-CB 4.25Å; I298-V331 HydrophobicContact CG1-CG1 4.27Å; I298-V331 HydrophobicContact CG1-CG2 4.03Å; I298-E334 HydrophobicContact CB-CG 4.45Å; I298-E334 HydrophobicContact CD1-CB 3.72Å; I298-E334 HydrophobicContact CD1-CG 3.68Å; I298-E334 HydrophobicContact CG1-CB 3.98Å; I298-E334 HydrophobicContact CG1-CG 3.89Å; I298-E334 HydrophobicContact CG2-CG 3.69Å; I298-L335 HydrophobicContact CB-CD2 4.47Å; I298-L335 HydrophobicContact CG1-CG 4.21Å; I298-L335 HydrophobicContact CG2-CD2 4.04Å
299P98.8Very high98.5Very high49 Ų4937.7 Ų37.732%0.31820%0.203SC..Hα-helixtrans-67.7-31177.622-29.7000112.9V286 T295 G296 K303V286-P299 HydrophobicContact CB-CB 4.43Å; V286-P299 HydrophobicContact CG1-CB 4.36Å; V286-P299 HydrophobicContact CG2-CB 4.03Å; V286-P299 HydrophobicContact CG2-CG 3.75Å; T295-P299 WeakPolarHBondContact O-CD 3.29Å; G296-P299 VanDerWaalsContact O-CD 3.3Å; G296-P299 WeakPolarHBondContact O-CD 3.32Å; G296-P299 WeakPolarHBondContact O-CG 3.16Å; P299-K303 VanDerWaalsContact O-CB 3.26Å; P299-K303 WeakPolarHBondContact O-CB 3.25Å; P299-K303 PolarHBondContact O-N 3.08Å
300A98.9Very high98.5Very high0 Ų034.8 Ų34.80%019%0.185CC..Hα-helixtrans-66.3-48.8179.500000111.8A284 V286 G296 P297 I298 K303 A304 A391A284-A300 WeakPolarHBondContact CB-O 3.32Å; V286-A300 HydrophobicContact CG2-CB 3.88Å; G296-A300 WeakPolarHBondContact O-CB 3.5Å; G296-A300 PolarHBondContact O-N 3.41Å; P297-A300 PolarHBondContact O-N 3.3Å; I298-A300 VanDerWaalsContact C-N 3.32Å; I298-A300 PolarHBondContact O-N 3.06Å; A300-K303 PolarHBondContact O-N 3.42Å; A300-A304 WeakPolarHBondContact O-CB 3.27Å; A300-A304 PolarHBondContact O-N 2.84Å; A300-A391 HydrophobicContact CB-CB 3.87Å
301I98.9Very high98.5Very high0 Ų040.1 Ų40.10%021%0.206CC..Hα-helixtrans-62.8-49.8178.1-68.6167.6000109.9P297 K303 A304 V305 L312 F318 V320 V331 L335 V379 A391P297-I301 HydrophobicContact CB-CD1 4.06Å; P297-I301 VanDerWaalsContact O-CB 3.24Å; P297-I301 WeakPolarHBondContact O-CB 3.43Å; P297-I301 WeakPolarHBondContact O-CG1 3.33Å; P297-I301 PolarHBondContact O-N 3.1Å; I301-K303 VanDerWaalsContact C-N 3.3Å; I301-K303 PolarHBondContact O-N 3.11Å; I301-A304 PolarHBondContact O-N 3.43Å; I301-V305 HydrophobicContact CG2-CG2 4.05Å; I301-V305 VanDerWaalsContact O-CB 3.31Å; I301-V305 WeakPolarHBondContact O-CB 3.3Å; I301-V305 VanDerWaalsContact O-CG2 3.29Å; I301-V305 WeakPolarHBondContact O-CG2 3.5Å; I301-V305 PolarHBondContact O-N 2.92Å; I301-L312 HydrophobicContact CG2-CD2 3.74Å; I301-F318 HydrophobicContact CG2-CE1 4.38Å; I301-V320 HydrophobicContact CD1-CG2 4.09Å; I301-V331 HydrophobicContact CD1-CG1 4.34Å; I301-L335 HydrophobicContact CB-CD1 3.98Å; I301-L335 HydrophobicContact CD1-CD1 3.68Å; I301-L335 HydrophobicContact CG1-CD1 4.43Å; I301-L335 HydrophobicContact CG2-CD1 3.95Å; I301-V379 HydrophobicContact CG1-CG1 4.02Å; I301-V379 HydrophobicContact CG2-CG1 4.28Å; I301-A391 HydrophobicContact CG1-CB 4.03Å
302R98.8Very high98.5Very high115 Ų11541.2 Ų41.243%0.43421%0.21SC..Hα-helixtrans-52.3-49.7177.8-74.9177.5-179.4162.93.8110.9I298 E306 E334 L335I298-R302 WeakPolarHBondContact O-CG 3.39Å; I298-R302 PolarHBondContact O-N 3.26Å; I298-R302 VanDerWaalsContact O-N 3.16Å; R302-E306 VanDerWaalsContact O-CB 3.28Å; R302-E306 WeakPolarHBondContact O-CB 3.41Å; R302-E306 PolarHBondContact O-N 2.94Å; R302-E334 IonicContact CZ-OE1 3.56Å; R302-E334 IonicContact NH1-OE1 3.73Å; R302-E334 PolarHBondContact NH2-O 3.19Å; R302-E334 IonicContact NH2-OE1 2.88Å; R302-E334 PolarHBondContact NH2-OE1 2.85Å; R302-L335 HydrophobicContact CG-CD2 3.65Å
303K98.8Very high98.4Very high91 Ų9146.1 Ų46.140%0.39624%0.235SC..Hα-helixtrans-68.1-38.7-179.1-172.2171.6-175.9175.40113.5A284 V286 P299 A300 I301 K307A284-K303 HydrophobicContact CB-CB 3.79Å; A284-K303 HydrophobicContact CB-CD 4.05Å; A284-K303 HydrophobicContact CB-CG 3.8Å; V286-K303 HydrophobicContact CG1-CD 3.99Å; P299-K303 VanDerWaalsContact O-CB 3.26Å; P299-K303 WeakPolarHBondContact O-CB 3.25Å; P299-K303 PolarHBondContact O-N 3.08Å; A300-K303 PolarHBondContact O-N 3.42Å; I301-K303 VanDerWaalsContact C-N 3.3Å; I301-K303 PolarHBondContact O-N 3.11Å; K303-K307 WeakPolarHBondContact O-CB 3.46Å; K303-K307 VanDerWaalsContact O-CG 3.28Å; K303-K307 WeakPolarHBondContact O-CG 3.3Å; K303-K307 PolarHBondContact O-N 3.16Å
304A98.8Very high98.4Very high0 Ų050 Ų500%025%0.254CS..Hα-helixtrans-67.9-46.2177.400000111.1S282 A284 A300 I301 E306 K307 A308 A391 C393S282-A304 PolarHBondContact OG-O 3.48Å; A284-A304 HydrophobicContact CB-CB 3.99Å; A300-A304 WeakPolarHBondContact O-CB 3.27Å; A300-A304 PolarHBondContact O-N 2.84Å; I301-A304 PolarHBondContact O-N 3.43Å; A304-E306 PolarHBondContact O-N 3.15Å; A304-K307 WeakPolarHBondContact O-CB 3.22Å; A304-K307 PolarHBondContact O-N 2.88Å; A304-A308 PolarHBondContact O-N 3.2Å; A304-A391 HydrophobicContact CB-CB 3.92Å; A304-C393 VanDerWaalsContact C-SG 3.6Å
305V98.7Very high98.4Very high7 Ų750 Ų504%0.04225%0.253CS..Hα-helixtrans-62.7-42.3178.1168.30000111.2I301 A308 G309 W310 L312 V379I301-V305 HydrophobicContact CG2-CG2 4.05Å; I301-V305 VanDerWaalsContact O-CB 3.31Å; I301-V305 WeakPolarHBondContact O-CB 3.3Å; I301-V305 VanDerWaalsContact O-CG2 3.29Å; I301-V305 WeakPolarHBondContact O-CG2 3.5Å; I301-V305 PolarHBondContact O-N 2.92Å; V305-A308 WeakPolarHBondContact O-CB 3.34Å; V305-A308 PolarHBondContact O-N 2.93Å; V305-G309 PolarHBondContact O-N 3.35Å; V305-W310 HydrophobicContact CG1-CB 3.9Å; V305-W310 VanDerWaalsContact CG1-O 3.32Å; V305-W310 WeakPolarHBondContact CG1-O 3.38Å; V305-W310 PolarHBondContact O-N 2.62Å; V305-L312 HydrophobicContact CB-CD2 4.46Å; V305-L312 HydrophobicContact CG1-CD2 4.26Å; V305-L312 HydrophobicContact CG2-CD2 4.01Å; V305-V379 HydrophobicContact CG2-CG2 4.06Å
306E98.4Very high98.4Very high147 Ų14752.2 Ų52.269%0.68727%0.265SS*.Hα-helixtrans-59.2-48.3172.8-177.3-173-175.800111.7R302 A304 A308 G309R302-E306 VanDerWaalsContact O-CB 3.28Å; R302-E306 WeakPolarHBondContact O-CB 3.41Å; R302-E306 PolarHBondContact O-N 2.94Å; A304-E306 PolarHBondContact O-N 3.15Å; E306-A308 PolarHBondContact O-N 2.97Å; E306-G309 PolarHBondContact O-N 3Å
307K98.3Very high98.4Very high121 Ų12152.8 Ų52.853%0.52627%0.268SS..Hα-helixtrans-60.8-31.8175.8-77.2177.4176.4-170.20113.3W283 K303 A304 G309W283-K307 WeakPolarHBondContact O-CD 3.36Å; W283-K307 PolarHBondContact O-NZ 2.92Å; K303-K307 WeakPolarHBondContact O-CB 3.46Å; K303-K307 VanDerWaalsContact O-CG 3.28Å; K303-K307 WeakPolarHBondContact O-CG 3.3Å; K303-K307 PolarHBondContact O-N 3.16Å; A304-K307 WeakPolarHBondContact O-CB 3.22Å; A304-K307 PolarHBondContact O-N 2.88Å; K307-G309 PolarHBondContact O-N 3.02Å
308A98.1Very high98.4Very high18 Ų1853 Ų5315%0.14927%0.269CS..THydrogen-bonded Turntrans-74.4-10.6174.700000112.8V281 A304 V305 E306 W310 C393V281-A308 HydrophobicContact CG1-CB 3.64Å; A304-A308 PolarHBondContact O-N 3.2Å; V305-A308 WeakPolarHBondContact O-CB 3.34Å; V305-A308 PolarHBondContact O-N 2.93Å; E306-A308 PolarHBondContact O-N 2.97Å; A308-W310 VanDerWaalsContact C-N 3.26Å; A308-W310 HydrophobicContact CB-CB 4.31Å; A308-W310 HydrophobicContact CB-CD2 3.68Å; A308-W310 HydrophobicContact CB-CE3 4.12Å; A308-W310 HydrophobicContact CB-CG 3.79Å; A308-W310 PolarHBondContact O-NE1 3.3Å; A308-C393 HydrophobicContact CB-CB 4.18Å
309G98Very high98.4Very high65 Ų6552.7 Ų52.767%0.6727%0.267SS*.THydrogen-bonded Turntrans67.228.2-171.700000112.5V305 E306 K307V305-G309 PolarHBondContact O-N 3.35Å; E306-G309 PolarHBondContact O-N 3Å; K307-G309 PolarHBondContact O-N 3.02Å
310W98.4Very high98.4Very high27 Ų2750.5 Ų50.510%0.10225%0.253CS..  trans-103.7165.8-177.9-66.2-2.5000111.6V281 V305 A308 V315 K377 C393 V394 E395V281-W310 HydrophobicContact CB-CH2 4.26Å; V281-W310 HydrophobicContact CB-CZ2 4.08Å; V281-W310 HydrophobicContact CG1-CZ2 3.91Å; V281-W310 HydrophobicContact CG2-CH2 4Å; V281-W310 HydrophobicContact CG2-CZ2 3.77Å; V305-W310 HydrophobicContact CG1-CB 3.9Å; V305-W310 VanDerWaalsContact CG1-O 3.32Å; V305-W310 WeakPolarHBondContact CG1-O 3.38Å; V305-W310 PolarHBondContact O-N 2.62Å; A308-W310 VanDerWaalsContact C-N 3.26Å; A308-W310 HydrophobicContact CB-CB 4.31Å; A308-W310 HydrophobicContact CB-CD2 3.68Å; A308-W310 HydrophobicContact CB-CE3 4.12Å; A308-W310 HydrophobicContact CB-CG 3.79Å; A308-W310 PolarHBondContact O-NE1 3.3Å; W310-V315 HydrophobicContact CE3-CG2 4.29Å; W310-K377 HydrophobicContact CD2-CD 3.81Å; W310-K377 HydrophobicContact CD2-CG 4.38Å; W310-K377 HydrophobicContact CE3-CB 4.23Å; W310-K377 HydrophobicContact CE3-CD 4.1Å; W310-K377 HydrophobicContact CE3-CG 4.35Å; W310-K377 HydrophobicContact CG-CD 4.3Å; W310-K377 HydrophobicContact CH2-CB 3.88Å; W310-K377 HydrophobicContact CH2-CD 4.26Å; W310-K377 HydrophobicContact CH2-CG 3.76Å; W310-K377 HydrophobicContact CZ2-CB 4.38Å; W310-K377 HydrophobicContact CZ2-CD 3.97Å; W310-K377 HydrophobicContact CZ2-CG 3.76Å; W310-K377 HydrophobicContact CZ3-CB 3.79Å; W310-K377 HydrophobicContact CZ3-CD 4.32Å; W310-K377 HydrophobicContact CZ3-CG 4.06Å; W310-C393 HydrophobicContact CE3-CB 4.21Å; W310-C393 HydrophobicContact CH2-CB 4.09Å; W310-C393 HydrophobicContact CZ3-CB 3.67Å; W310-V394 WeakPolarHBondContact CH2-O 3.33Å; W310-E395 HydrophobicContact CH2-CB 4.26Å; W310-E395 HydrophobicContact CZ2-CB 4.15Å
311K98Very high98.4Very high137 Ų13750.6 Ų50.660%0.59625%0.253SS*.  trans-108.4155.1162.3-65180-179.5-1780109.4D313 Q314K311-D313 VanDerWaalsContact C-N 3.28Å; K311-D313 WeakPolarHBondContact CB-OD1 3.38Å; K311-D313 PolarHBondContact O-N 2.83Å; K311-Q314 HydrophobicContact CB-CG 4.18Å; K311-Q314 VanDerWaalsContact N-OE1 3.15Å; K311-Q314 WeakPolarHBondContact O-CB 3.29Å; K311-Q314 PolarHBondContact O-N 3.2Å; K311-Q314 VanDerWaalsContact O-N 3.16Å
312L97.9Very high98.4Very high48 Ų4850.8 Ų50.825%0.25125%0.254SS..G310 helixtrans-61.4-35.3-178.8-69.7173.4000112.8I301 V305 Q314 V315 F318 L335 L337I301-L312 HydrophobicContact CG2-CD2 3.74Å; V305-L312 HydrophobicContact CB-CD2 4.46Å; V305-L312 HydrophobicContact CG1-CD2 4.26Å; V305-L312 HydrophobicContact CG2-CD2 4.01Å; L312-Q314 PolarHBondContact O-N 3.27Å; L312-V315 WeakPolarHBondContact O-CB 3.36Å; L312-V315 PolarHBondContact O-N 2.95Å; L312-V315 VanDerWaalsContact O-N 3.15Å; L312-F318 HydrophobicContact CD2-CE1 4.32Å; L312-F318 HydrophobicContact CD2-CZ 4.33Å; L312-L335 HydrophobicContact CD1-CB 4.29Å; L312-L335 HydrophobicContact CD1-CD2 4.31Å; L312-L337 HydrophobicContact CD2-CD2 4.43Å
313D96.8Very high98.4Very high117 Ų11745.5 Ų45.563%0.62624%0.235SC*.G310 helixtrans-66.1-23.5177.961-8.1000113.7K311 V315K311-D313 VanDerWaalsContact C-N 3.28Å; K311-D313 WeakPolarHBondContact CB-OD1 3.38Å; K311-D313 PolarHBondContact O-N 2.83Å; D313-V315 VanDerWaalsContact C-N 3.32Å
314Q97.5Very high98.4Very high86 Ų8642 Ų4240%0.40222%0.22SC..G310 helixtrans-79.9-11.3175.4-61.7178.5-24.900113.5K311 L312 K377K311-Q314 HydrophobicContact CB-CG 4.18Å; K311-Q314 VanDerWaalsContact N-OE1 3.15Å; K311-Q314 WeakPolarHBondContact O-CB 3.29Å; K311-Q314 PolarHBondContact O-N 3.2Å; K311-Q314 VanDerWaalsContact O-N 3.16Å; L312-Q314 PolarHBondContact O-N 3.27Å; Q314-K377 HydrophobicContact CB-CD 4.29Å; Q314-K377 WeakPolarHBondContact O-CD 3.38Å
315V98.7Very high98.4Very high0 Ų042 Ų420%022%0.22CC..  trans-77.9129.3176.5-179.50000108.3W310 L312 D313 L317 F318 K341 V379W310-V315 HydrophobicContact CE3-CG2 4.29Å; L312-V315 WeakPolarHBondContact O-CB 3.36Å; L312-V315 PolarHBondContact O-N 2.95Å; L312-V315 VanDerWaalsContact O-N 3.15Å; D313-V315 VanDerWaalsContact C-N 3.32Å; V315-L317 VanDerWaalsContact CG1-O 3.24Å; V315-L317 WeakPolarHBondContact CG1-O 3.35Å; V315-F318 HydrophobicContact CB-CD2 4.39Å; V315-F318 HydrophobicContact CB-CE1 4.03Å; V315-F318 HydrophobicContact CB-CE2 3.53Å; V315-F318 HydrophobicContact CB-CZ 3.32Å; V315-F318 HydrophobicContact CG1-CD1 4.09Å; V315-F318 HydrophobicContact CG1-CD2 3.81Å; V315-F318 HydrophobicContact CG1-CE1 3.74Å; V315-F318 HydrophobicContact CG1-CE2 3.44Å; V315-F318 VanDerWaalsContact CG1-CE2 3.44Å; V315-F318 HydrophobicContact CG1-CG 4.13Å; V315-F318 HydrophobicContact CG1-CZ 3.41Å; V315-F318 VanDerWaalsContact CG1-CZ 3.41Å; V315-F318 HydrophobicContact CG2-CE1 4.17Å; V315-F318 HydrophobicContact CG2-CE2 4.47Å; V315-F318 HydrophobicContact CG2-CZ 3.77Å; V315-K341 WeakPolarHBondContact O-CD 3.48Å; V315-K341 PolarHBondContact O-NZ 3.07Å; V315-V379 HydrophobicContact CG1-CB 4.29Å; V315-V379 HydrophobicContact CG1-CG2 3.82Å; V315-V379 HydrophobicContact CG2-CG2 3.86Å
316D98.6Very high98.4Very high57 Ų5741.6 Ų41.631%0.30522%0.218SC..  trans-84-41.3-177.3-61.5-51.3000111.2K341 L370 R376 K377D316-K341 WeakPolarHBondContact O-CB 3.18Å; D316-K341 WeakPolarHBondContact O-CD 3.28Å; D316-K341 VanDerWaalsContact O-CG 3.3Å; D316-K341 WeakPolarHBondContact O-CG 3.28Å; D316-L370 HydrophobicContact CB-CD2 4.49Å; D316-R376 WeakPolarHBondContact OD2-CA 3.37Å; D316-R376 PolarHBondContact OD2-N 2.58Å; D316-K377 WeakPolarHBondContact CB-O 3.33Å; D316-K377 PolarHBondContact N-O 2.92Å; D316-K377 PolarHBondContact OD2-N 3.29Å
317L98.8Very high98.3Very high13 Ų1334.7 Ų34.77%0.06819%0.185CC..EExtended strand (participates in β ladder)trans-138.7143.7-180-65-179.7000112.2V315 K341 V344 L366 A369 L370 K377 G378 V379V315-L317 VanDerWaalsContact CG1-O 3.24Å; V315-L317 WeakPolarHBondContact CG1-O 3.35Å; L317-K341 WeakPolarHBondContact CA-O 3.24Å; L317-V344 HydrophobicContact CD2-CG1 3.68Å; L317-V344 HydrophobicContact CD2-CG2 4.11Å; L317-L366 HydrophobicContact CB-CD1 3.74Å; L317-A369 HydrophobicContact CD1-CB 3.78Å; L317-L370 HydrophobicContact CB-CD2 4.08Å; L317-L370 HydrophobicContact CD1-CD2 3.94Å; L317-L370 HydrophobicContact CD1-CG 4.16Å; L317-L370 HydrophobicContact CG-CD2 4.12Å; L317-K377 PolarHBondContact N-O 3.35Å; L317-G378 VanDerWaalsContact O-CA 3.29Å; L317-G378 WeakPolarHBondContact O-CA 3.43Å; L317-V379 PolarHBondContact O-N 2.86Å
318F98.9Very high98.3Very high5 Ų529 Ų292%0.02216%0.161CC..EExtended strand (participates in β ladder)trans-121.8131.2172.6-64.5-96.8000109.6I301 L312 V315 V320 L337 K341 V342 N343 V379I301-F318 HydrophobicContact CG2-CE1 4.38Å; L312-F318 HydrophobicContact CD2-CE1 4.32Å; L312-F318 HydrophobicContact CD2-CZ 4.33Å; V315-F318 HydrophobicContact CB-CD2 4.39Å; V315-F318 HydrophobicContact CB-CE1 4.03Å; V315-F318 HydrophobicContact CB-CE2 3.53Å; V315-F318 HydrophobicContact CB-CZ 3.32Å; V315-F318 HydrophobicContact CG1-CD1 4.09Å; V315-F318 HydrophobicContact CG1-CD2 3.81Å; V315-F318 HydrophobicContact CG1-CE1 3.74Å; V315-F318 HydrophobicContact CG1-CE2 3.44Å; V315-F318 VanDerWaalsContact CG1-CE2 3.44Å; V315-F318 HydrophobicContact CG1-CG 4.13Å; V315-F318 HydrophobicContact CG1-CZ 3.41Å; V315-F318 VanDerWaalsContact CG1-CZ 3.41Å; V315-F318 HydrophobicContact CG2-CE1 4.17Å; V315-F318 HydrophobicContact CG2-CE2 4.47Å; V315-F318 HydrophobicContact CG2-CZ 3.77Å; F318-V320 HydrophobicContact CB-CG2 4.18Å; F318-L337 HydrophobicContact CD1-CD1 4.23Å; F318-L337 HydrophobicContact CE1-CD1 4.42Å; F318-L337 HydrophobicContact CE1-CD2 3.97Å; F318-L337 HydrophobicContact CE2-CD2 4.11Å; F318-L337 HydrophobicContact CG-CD1 4.35Å; F318-L337 HydrophobicContact CZ-CD2 3.71Å; F318-K341 HydrophobicContact CD2-CB 4.28Å; F318-K341 PolarHBondContact N-O 3.17Å; F318-V342 HydrophobicContact CB-CG2 4.07Å; F318-V342 HydrophobicContact CD2-CG2 4.42Å; F318-V342 HydrophobicContact CG-CG2 4.5Å; F318-V342 WeakPolarHBondContact O-CA 3.46Å; F318-N343 PolarHBondContact O-N 3.22Å; F318-V379 CarbonylContact C-O 3.51Å; F318-V379 WeakPolarHBondContact CA-O 3.41Å; F318-V379 HydrophobicContact CD1-CB 3.69Å; F318-V379 HydrophobicContact CD1-CG1 4.15Å; F318-V379 HydrophobicContact CD1-CG2 4.31Å; F318-V379 HydrophobicContact CE1-CB 3.96Å; F318-V379 HydrophobicContact CE1-CG1 4.43Å; F318-V379 HydrophobicContact CE1-CG2 4.09Å
319E98.9Very high98.4Very high4 Ų429.3 Ų29.32%0.01916%0.16CC..EExtended strand (participates in β ladder)trans-110.897.5164.1-82.2-71.315100108N343 V362 L366 V379 A380 S381E319-N343 WeakPolarHBondContact CA-OD1 3.35Å; E319-V362 HydrophobicContact CB-CB 4.06Å; E319-L366 HydrophobicContact CB-CB 4.09Å; E319-L366 HydrophobicContact CG-CB 3.75Å; E319-L366 HydrophobicContact CG-CD1 4.23Å; E319-V379 PolarHBondContact N-O 3.21Å; E319-A380 CarbonylContact O-C 3.34Å; E319-A380 WeakPolarHBondContact O-CA 3.33Å; E319-S381 PolarHBondContact O-N 2.93Å
320V98.7Very high98.4Very high3 Ų326.2 Ų26.22%0.01813%0.128CC..EExtended strand (participates in β ladder)trans-109.3114.5179.6-175.20000108.4P297 I301 F318 E322 V331 V342 N343 S381P297-V320 HydrophobicContact CB-CG1 4.31Å; P297-V320 HydrophobicContact CG-CG1 4.45Å; I301-V320 HydrophobicContact CD1-CG2 4.09Å; F318-V320 HydrophobicContact CB-CG2 4.18Å; V320-E322 PolarHBondContact O-N 3.48Å; V320-V331 HydrophobicContact CG1-CG1 4.16Å; V320-V342 HydrophobicContact CB-CG1 4.49Å; V320-V342 HydrophobicContact CG2-CG1 4.49Å; V320-N343 PolarHBondContact N-OD1 3.39Å; V320-N343 PolarHBondContact O-ND2 2.85Å; V320-N343 PolarHBondContact O-OD1 3.19Å; V320-S381 WeakPolarHBondContact CA-O 3.23Å
321N98.7Very high98.4Very high1 Ų124.9 Ų24.91%0.00512%0.123CC..  trans-58.8133-172.9-174.269.9000112.7A323 Q327 A348 H353 V362 S381 L382N321-A323 PolarHBondContact O-N 3.39Å; N321-Q327 PolarHBondContact O-NE2 3.32Å; N321-Q327 VanDerWaalsContact O-NE2 3.16Å; N321-A348 WeakPolarHBondContact OD1-CB 3.37Å; N321-H353 PolarHBondContact ND2-CE1 3.24Å; N321-H353 PolarHBondContact ND2-ND1 3.29Å; N321-V362 HydrophobicContact CB-CG1 4.23Å; N321-S381 PolarHBondContact N-O 3.23Å; N321-L382 HydrophobicContact CB-CB 3.97Å; N321-L382 HydrophobicContact CB-CD2 3.47Å; N321-L382 VanDerWaalsContact CB-CD2 3.47Å; N321-L382 HydrophobicContact CB-CG 3.57Å
322E98.6Very high98.5Very high4 Ų419 Ų192%0.01910%0.098CC..  trans-96.763.2-176.1-52.3173.6169.200111.4F181 S185 S252 V320 F324 S328 N343 G347 A348 I349F181-E322 HydrophobicContact CE1-CB 4.47Å; F181-E322 HydrophobicContact CE1-CG 4Å; F181-E322 HydrophobicContact CZ-CG 4.13Å; S185-E322 WeakPolarHBondContact CB-OE2 3.47Å; S185-E322 PolarHBondContact OG-OE1 2.95Å; S185-E322 PolarHBondContact OG-OE2 3.48Å; S252-E322 WeakPolarHBondContact CB-O 3.44Å; V320-E322 PolarHBondContact O-N 3.48Å; E322-F324 PolarHBondContact O-N 3.39Å; E322-S328 WeakPolarHBondContact CA-OG 3.5Å; E322-N343 WeakPolarHBondContact CG-ND2 3.09Å; E322-N343 PolarHBondContact OE1-ND2 3.49Å; E322-G347 VanDerWaalsContact OE2-C 3.23Å; E322-G347 WeakPolarHBondContact OE2-CA 3.38Å; E322-G347 PolarHBondContact OE2-N 3.48Å; E322-A348 HydrophobicContact CB-CB 4.17Å; E322-A348 PolarHBondContact OE2-N 2.92Å; E322-I349 HydrophobicContact CB-CD1 4.03Å; E322-I349 HydrophobicContact CB-CG1 3.82Å; E322-I349 PolarHBondContact OE2-N 3.15Å
323A98Very high98.5Very high5 Ų523 Ų234%0.04111%0.113CC..SBendtrans-56.8-41.9176.200000110.8S252 N321S252-A323 PolarHBondContact N-O 2.8Å; S252-A323 PolarHBondContact OG-O 3.49Å; N321-A323 PolarHBondContact O-N 3.39Å
324F98.9Very high98.6Very high16 Ų1621.3 Ų21.37%0.0710%0.102CC..BIsolated β-bridgetrans-144.4148.6171.6-58.5-87.1000109.9M160 A164 F238 V246 A251 E322 A326 Q327 S328M160-F324 HydrophobicContact CB-CE2 4.13Å; M160-F324 HydrophobicContact CB-CZ 4.33Å; A164-F324 HydrophobicContact CB-CB 3.66Å; A164-F324 HydrophobicContact CB-CD1 3.92Å; A164-F324 HydrophobicContact CB-CD2 3.7Å; A164-F324 HydrophobicContact CB-CE2 4.33Å; A164-F324 HydrophobicContact CB-CG 3.46Å; A164-F324 VanDerWaalsContact CB-CG 3.46Å; F238-F324 AromaticContact CE2-CE1 3.87Å; F238-F324 HydrophobicContact CE2-CE1 3.87Å; F238-F324 HydrophobicContact CZ-CE1 4.2Å; V246-F324 HydrophobicContact CG1-CD1 3.57Å; V246-F324 HydrophobicContact CG1-CE1 3.94Å; A251-F324 HydrophobicContact CB-CD1 3.46Å; A251-F324 VanDerWaalsContact CB-CD1 3.46Å; A251-F324 HydrophobicContact CB-CE1 3.63Å; E322-F324 PolarHBondContact O-N 3.39Å; F324-A326 VanDerWaalsContact C-N 3.29Å; F324-A326 PolarHBondContact O-N 2.97Å; F324-Q327 HydrophobicContact CB-CG 4.18Å; F324-Q327 WeakPolarHBondContact O-CG 3.25Å; F324-Q327 PolarHBondContact O-N 3.47Å; F324-Q327 PolarHBondContact O-NE2 3.3Å; F324-S328 PolarHBondContact O-N 3.22Å; F324-S328 PolarHBondContact O-OG 3.17Å
325A98.8Very high98.6Very high0 Ų017.9 Ų17.90%09%0.086CC..Hα-helixtrans-59.8-40.7176.700000111.8Q178 F181 N250 Q327 S328 L329 I349Q178-A325 HydrophobicContact CB-CB 3.8Å; Q178-A325 HydrophobicContact CG-CB 4.05Å; Q178-A325 WeakPolarHBondContact O-CB 3.37Å; F181-A325 HydrophobicContact CB-CB 4.44Å; F181-A325 HydrophobicContact CD1-CB 3.8Å; F181-A325 HydrophobicContact CG-CB 4.49Å; N250-A325 HydrophobicContact CB-CB 3.99Å; N250-A325 WeakPolarHBondContact O-CB 3.48Å; N250-A325 PolarHBondContact O-N 3.22Å; A325-Q327 PolarHBondContact O-N 2.94Å; A325-S328 PolarHBondContact O-N 3.06Å; A325-L329 WeakPolarHBondContact O-CB 3.2Å; A325-L329 WeakPolarHBondContact O-CG 3.46Å; A325-L329 PolarHBondContact O-N 3.03Å; A325-I349 HydrophobicContact CB-CD1 3.81Å
326A98.7Very high98.6Very high0 Ų021 Ų210%012%0.118CC..Hα-helixtrans-51.8-52177.900000112.6A164 A168 I173 Q178 F324 A330A164-A326 HydrophobicContact CB-CB 4.43Å; A164-A326 WeakPolarHBondContact O-CB 3.46Å; A168-A326 HydrophobicContact CB-CB 3.88Å; I173-A326 WeakPolarHBondContact CD1-O 3.44Å; Q178-A326 HydrophobicContact CG-CB 4.36Å; F324-A326 VanDerWaalsContact C-N 3.29Å; F324-A326 PolarHBondContact O-N 2.97Å; A326-A330 PolarHBondContact O-N 3.48Å
327Q97.5Very high98.6Very high1 Ų119.1 Ų19.11%0.00511%0.108CC..Hα-helixtrans-71.5-35.3-179.164.874.353.100113V167 G294 N321 F324 A325 L329 A330 V331V167-Q327 HydrophobicContact CG1-CB 4.44Å; G294-Q327 PolarHBondContact O-OE1 3.44Å; N321-Q327 PolarHBondContact O-NE2 3.32Å; N321-Q327 VanDerWaalsContact O-NE2 3.16Å; F324-Q327 HydrophobicContact CB-CG 4.18Å; F324-Q327 WeakPolarHBondContact O-CG 3.25Å; F324-Q327 PolarHBondContact O-N 3.47Å; F324-Q327 PolarHBondContact O-NE2 3.3Å; A325-Q327 PolarHBondContact O-N 2.94Å; Q327-L329 PolarHBondContact O-N 3.27Å; Q327-A330 PolarHBondContact O-N 2.93Å; Q327-V331 VanDerWaalsContact O-CG2 3.27Å; Q327-V331 WeakPolarHBondContact O-CG2 3.32Å; Q327-V331 PolarHBondContact O-N 3.22Å
328S98.7Very high98.5Very high2 Ų222.5 Ų22.51%0.01413%0.126CC..Hα-helixtrans-61.4-47176.6-73.30000110.8E322 F324 A325 A330 V331 I332E322-S328 WeakPolarHBondContact CA-OG 3.5Å; F324-S328 PolarHBondContact O-N 3.22Å; F324-S328 PolarHBondContact O-OG 3.17Å; A325-S328 PolarHBondContact O-N 3.06Å; S328-A330 PolarHBondContact O-N 3.47Å; S328-V331 PolarHBondContact O-N 3.37Å; S328-I332 VanDerWaalsContact O-CG1 3.28Å; S328-I332 WeakPolarHBondContact O-CG1 3.49Å; S328-I332 PolarHBondContact O-N 2.94Å
329L98.8Very high98.4Very high24 Ų2426.9 Ų26.913%0.12615%0.147CC..Hα-helixtrans-63.9-39.2177.3-74.3167000111.9I173 Q177 Q178 F181 A325 Q327 I332 K333I173-L329 HydrophobicContact CD1-CB 3.88Å; I173-L329 HydrophobicContact CG2-CB 4.09Å; I173-L329 HydrophobicContact CG2-CD1 3.62Å; Q177-L329 HydrophobicContact CB-CD1 4.06Å; Q178-L329 HydrophobicContact CG-CD1 4.3Å; F181-L329 HydrophobicContact CB-CD1 3.96Å; F181-L329 HydrophobicContact CB-CD2 4.15Å; F181-L329 HydrophobicContact CB-CG 4.14Å; F181-L329 HydrophobicContact CD2-CD2 3.74Å; F181-L329 HydrophobicContact CD2-CG 4.05Å; F181-L329 HydrophobicContact CG-CD1 4.37Å; F181-L329 HydrophobicContact CG-CD2 4.14Å; F181-L329 HydrophobicContact CG-CG 4.06Å; A325-L329 WeakPolarHBondContact O-CB 3.2Å; A325-L329 WeakPolarHBondContact O-CG 3.46Å; A325-L329 PolarHBondContact O-N 3.03Å; Q327-L329 PolarHBondContact O-N 3.27Å; L329-I332 PolarHBondContact O-N 3.49Å; L329-K333 WeakPolarHBondContact O-CB 3.4Å; L329-K333 PolarHBondContact O-N 3.16Å
330A98.8Very high98.3Very high0 Ų032.8 Ų32.80%018%0.178CC..Hα-helixtrans-60.9-45.6174.600000111.6V167 W171 I173 T295 A326 Q327 S328 K333 E334V167-A330 HydrophobicContact CG1-CB 3.54Å; W171-A330 HydrophobicContact CB-CB 4.18Å; W171-A330 HydrophobicContact CD2-CB 4.14Å; W171-A330 HydrophobicContact CG-CB 3.8Å; I173-A330 HydrophobicContact CD1-CB 3.71Å; T295-A330 HydrophobicContact CG2-CB 4.49Å; A326-A330 PolarHBondContact O-N 3.48Å; Q327-A330 PolarHBondContact O-N 2.93Å; S328-A330 PolarHBondContact O-N 3.47Å; A330-K333 PolarHBondContact O-N 3.31Å; A330-E334 WeakPolarHBondContact O-CB 3.39Å; A330-E334 PolarHBondContact O-N 2.94Å
331V98.8Very high98.3Very high0 Ų035.4 Ų35.40%019%0.19CC..Hα-helixtrans-63.6-47.6178.4173.20000111.3P297 I298 I301 V320 Q327 S328 K333 L335P297-V331 HydrophobicContact CB-CG1 3.94Å; P297-V331 HydrophobicContact CB-CG2 3.86Å; P297-V331 HydrophobicContact CG-CG2 4.06Å; I298-V331 HydrophobicContact CD1-CG2 4.15Å; I298-V331 HydrophobicContact CG1-CB 4.25Å; I298-V331 HydrophobicContact CG1-CG1 4.27Å; I298-V331 HydrophobicContact CG1-CG2 4.03Å; I301-V331 HydrophobicContact CD1-CG1 4.34Å; V320-V331 HydrophobicContact CG1-CG1 4.16Å; Q327-V331 VanDerWaalsContact O-CG2 3.27Å; Q327-V331 WeakPolarHBondContact O-CG2 3.32Å; Q327-V331 PolarHBondContact O-N 3.22Å; S328-V331 PolarHBondContact O-N 3.37Å; V331-K333 PolarHBondContact O-N 3.21Å; V331-L335 HydrophobicContact CG1-CD1 3.84Å; V331-L335 WeakPolarHBondContact O-CB 3.4Å; V331-L335 WeakPolarHBondContact O-CG 3.34Å; V331-L335 PolarHBondContact O-N 2.62Å
332I98.7Very high98.3Very high12 Ų1235.6 Ų35.66%0.06219%0.191CC..Hα-helixtrans-59-48.7178.4-70.4165.8000110.4F181 S328 L329 G336 L337 E339 V342F181-I332 HydrophobicContact CE2-CD1 3.73Å; F181-I332 HydrophobicContact CZ-CD1 4.39Å; S328-I332 VanDerWaalsContact O-CG1 3.28Å; S328-I332 WeakPolarHBondContact O-CG1 3.49Å; S328-I332 PolarHBondContact O-N 2.94Å; L329-I332 PolarHBondContact O-N 3.49Å; I332-G336 WeakPolarHBondContact O-CA 3.02Å; I332-G336 PolarHBondContact O-N 3.29Å; I332-L337 HydrophobicContact CG2-CB 4.41Å; I332-L337 PolarHBondContact O-N 2.96Å; I332-E339 HydrophobicContact CG2-CG 3.84Å; I332-V342 HydrophobicContact CD1-CG1 4.26Å; I332-V342 HydrophobicContact CG1-CG1 4.45Å; I332-V342 HydrophobicContact CG1-CG2 4.48Å
333K98.5Very high98.3Very high133 Ų13335.5 Ų35.558%0.57819%0.19SC*.Hα-helixtrans-61.7-49.7-179.7-179.8178.9175.5-179.10112.2W171 L329 A330 V331 L335 G336W171-K333 PolarHBondContact O-NZ 3.48Å; L329-K333 WeakPolarHBondContact O-CB 3.4Å; L329-K333 PolarHBondContact O-N 3.16Å; A330-K333 PolarHBondContact O-N 3.31Å; V331-K333 PolarHBondContact O-N 3.21Å; K333-L335 VanDerWaalsContact C-N 3.35Å; K333-L335 PolarHBondContact O-N 2.88Å; K333-G336 PolarHBondContact O-N 2.93Å
334E98.4Very high98.3Very high82 Ų8237.3 Ų37.338%0.38320%0.201SC..Hα-helixtrans-71.3-27.7-174.9-179.159.4-148.600113.3I298 R302 A330I298-E334 HydrophobicContact CB-CG 4.45Å; I298-E334 HydrophobicContact CD1-CB 3.72Å; I298-E334 HydrophobicContact CD1-CG 3.68Å; I298-E334 HydrophobicContact CG1-CB 3.98Å; I298-E334 HydrophobicContact CG1-CG 3.89Å; I298-E334 HydrophobicContact CG2-CG 3.69Å; R302-E334 IonicContact CZ-OE1 3.56Å; R302-E334 IonicContact NH1-OE1 3.73Å; R302-E334 PolarHBondContact NH2-O 3.19Å; R302-E334 IonicContact NH2-OE1 2.88Å; R302-E334 PolarHBondContact NH2-OE1 2.85Å; A330-E334 WeakPolarHBondContact O-CB 3.39Å; A330-E334 PolarHBondContact O-N 2.94Å
335L98.5Very high98.3Very high14 Ų1436.5 Ų36.57%0.07320%0.197CC..Hα-helixtrans-93.4-8.8175.3-65.7180000113.3I298 I301 R302 L312 V331 K333 L337I298-L335 HydrophobicContact CB-CD2 4.47Å; I298-L335 HydrophobicContact CG1-CG 4.21Å; I298-L335 HydrophobicContact CG2-CD2 4.04Å; I301-L335 HydrophobicContact CB-CD1 3.98Å; I301-L335 HydrophobicContact CD1-CD1 3.68Å; I301-L335 HydrophobicContact CG1-CD1 4.43Å; I301-L335 HydrophobicContact CG2-CD1 3.95Å; R302-L335 HydrophobicContact CG-CD2 3.65Å; L312-L335 HydrophobicContact CD1-CB 4.29Å; L312-L335 HydrophobicContact CD1-CD2 4.31Å; V331-L335 HydrophobicContact CG1-CD1 3.84Å; V331-L335 WeakPolarHBondContact O-CB 3.4Å; V331-L335 WeakPolarHBondContact O-CG 3.34Å; V331-L335 PolarHBondContact O-N 2.62Å; K333-L335 VanDerWaalsContact C-N 3.35Å; K333-L335 PolarHBondContact O-N 2.88Å; L335-L337 VanDerWaalsContact C-N 3.31Å; L335-L337 HydrophobicContact CB-CD1 4.35Å; L335-L337 HydrophobicContact CB-CD2 3.7Å; L335-L337 HydrophobicContact CB-CG 3.72Å; L335-L337 HydrophobicContact CD1-CD1 4.24Å; L335-L337 HydrophobicContact CD1-CD2 4.4Å; L335-L337 HydrophobicContact CD1-CG 4.46Å; L335-L337 PolarHBondContact O-N 3.22Å
336G98.3Very high98.3Very high66 Ų6636.5 Ų36.568%0.6820%0.197SC*.THydrogen-bonded Turntrans6138.7-175.800000112.7I332 K333I332-G336 WeakPolarHBondContact O-CA 3.02Å; I332-G336 PolarHBondContact O-N 3.29Å; K333-G336 PolarHBondContact O-N 2.93Å
337L98.1Very high98.3Very high16 Ų1636.6 Ų36.68%0.08420%0.198CC..  trans-73.6143.4-177.6-55.2-175.8000110.9L312 F318 I332 L335 E339 V342L312-L337 HydrophobicContact CD2-CD2 4.43Å; F318-L337 HydrophobicContact CD1-CD1 4.23Å; F318-L337 HydrophobicContact CE1-CD1 4.42Å; F318-L337 HydrophobicContact CE1-CD2 3.97Å; F318-L337 HydrophobicContact CE2-CD2 4.11Å; F318-L337 HydrophobicContact CG-CD1 4.35Å; F318-L337 HydrophobicContact CZ-CD2 3.71Å; I332-L337 HydrophobicContact CG2-CB 4.41Å; I332-L337 PolarHBondContact O-N 2.96Å; L335-L337 VanDerWaalsContact C-N 3.31Å; L335-L337 HydrophobicContact CB-CD1 4.35Å; L335-L337 HydrophobicContact CB-CD2 3.7Å; L335-L337 HydrophobicContact CB-CG 3.72Å; L335-L337 HydrophobicContact CD1-CD1 4.24Å; L335-L337 HydrophobicContact CD1-CD2 4.4Å; L335-L337 HydrophobicContact CD1-CG 4.46Å; L335-L337 PolarHBondContact O-N 3.22Å; L337-E339 PolarHBondContact O-N 3.29Å; L337-V342 HydrophobicContact CB-CG2 3.95Å; L337-V342 HydrophobicContact CD1-CG2 4.01Å
338N97.5Very high98.3Very high85 Ų8536.5 Ų36.546%0.45520%0.198SC..  trans-73.1116.3166.7-177.9-11.5000109.4D340 K341N338-D340 PolarHBondContact O-N 2.98Å; N338-D340 WeakPolarHBondContact OD1-CB 3.43Å; N338-D340 PolarHBondContact OD1-N 3.06Å; N338-K341 HydrophobicContact CB-CD 4.37Å; N338-K341 HydrophobicContact CB-CG 4.33Å; N338-K341 WeakPolarHBondContact O-CB 3.31Å; N338-K341 PolarHBondContact O-N 3.08Å
339E95.9Very high98.3Very high97 Ų9736.4 Ų36.445%0.45320%0.197SC..G310 helixtrans-58.3-26.2-179.7-67.6-175-145.300114K188 I332 L337 K341 V342K188-E339 PolarHBondContact NZ-O 3.18Å; I332-E339 HydrophobicContact CG2-CG 3.84Å; L337-E339 PolarHBondContact O-N 3.29Å; E339-K341 PolarHBondContact O-N 2.81Å; E339-V342 PolarHBondContact O-N 3.38Å
340D97.1Very high98.3Very high127 Ų12735.3 Ų35.368%0.67919%0.191SC*.G310 helixtrans-70.9-15.8176.2-64.8-30.3000112.7N338 V344N338-D340 PolarHBondContact O-N 2.98Å; N338-D340 WeakPolarHBondContact OD1-CB 3.43Å; N338-D340 PolarHBondContact OD1-N 3.06Å; D340-V344 WeakPolarHBondContact O-CG1 3.27Å
341K98.5Very high98.3Very high59 Ų5935.3 Ų35.326%0.25719%0.191SC..G310 helixtrans-98.6-7.9175.3-63.5-175165.3-169.30112.9V315 D316 L317 F318 N338 E339V315-K341 WeakPolarHBondContact O-CD 3.48Å; V315-K341 PolarHBondContact O-NZ 3.07Å; D316-K341 WeakPolarHBondContact O-CB 3.18Å; D316-K341 WeakPolarHBondContact O-CD 3.28Å; D316-K341 VanDerWaalsContact O-CG 3.3Å; D316-K341 WeakPolarHBondContact O-CG 3.28Å; L317-K341 WeakPolarHBondContact CA-O 3.24Å; F318-K341 HydrophobicContact CD2-CB 4.28Å; F318-K341 PolarHBondContact N-O 3.17Å; N338-K341 HydrophobicContact CB-CD 4.37Å; N338-K341 HydrophobicContact CB-CG 4.33Å; N338-K341 WeakPolarHBondContact O-CB 3.31Å; N338-K341 PolarHBondContact O-N 3.08Å; E339-K341 PolarHBondContact O-N 2.81Å
342V98.8Very high98.3Very high4 Ų435.3 Ų35.32%0.02419%0.191CC..BIsolated β-bridgetrans-102.7125.9-175.1-174.90000110.2K188 F318 V320 I332 L337 E339 V344K188-V342 PolarHBondContact NZ-O 2.81Å; K188-V342 VanDerWaalsContact NZ-O 3.17Å; F318-V342 HydrophobicContact CB-CG2 4.07Å; F318-V342 HydrophobicContact CD2-CG2 4.42Å; F318-V342 HydrophobicContact CG-CG2 4.5Å; F318-V342 WeakPolarHBondContact O-CA 3.46Å; V320-V342 HydrophobicContact CB-CG1 4.49Å; V320-V342 HydrophobicContact CG2-CG1 4.49Å; I332-V342 HydrophobicContact CD1-CG1 4.26Å; I332-V342 HydrophobicContact CG1-CG1 4.45Å; I332-V342 HydrophobicContact CG1-CG2 4.48Å; L337-V342 HydrophobicContact CB-CG2 3.95Å; L337-V342 HydrophobicContact CD1-CG2 4.01Å; E339-V342 PolarHBondContact O-N 3.38Å; V342-V344 PolarHBondContact O-N 2.7Å
343N98.8Very high98.3Very high3 Ų335.2 Ų35.22%0.01619%0.19CC..SBendtrans47.856175.4-56.4-15000111.4K188 F318 E319 V320 E322 S345 G346K188-N343 WeakPolarHBondContact CD-O 3.34Å; F318-N343 PolarHBondContact O-N 3.22Å; E319-N343 WeakPolarHBondContact CA-OD1 3.35Å; V320-N343 PolarHBondContact N-OD1 3.39Å; V320-N343 PolarHBondContact O-ND2 2.85Å; V320-N343 PolarHBondContact O-OD1 3.19Å; E322-N343 WeakPolarHBondContact CG-ND2 3.09Å; E322-N343 PolarHBondContact OE1-ND2 3.49Å; N343-S345 PolarHBondContact O-N 3.33Å; N343-S345 VanDerWaalsContact O-N 3.08Å; N343-G346 WeakPolarHBondContact O-CA 3.42Å; N343-G346 PolarHBondContact O-N 2.9Å
344V98.7Very high98.3Very high42 Ų4228.9 Ų28.926%0.25516%0.163SC..THydrogen-bonded Turntrans-65.2-15.8-170.3-610000113.6L317 D340 V342 A369L317-V344 HydrophobicContact CD2-CG1 3.68Å; L317-V344 HydrophobicContact CD2-CG2 4.11Å; D340-V344 WeakPolarHBondContact O-CG1 3.27Å; V342-V344 PolarHBondContact O-N 2.7Å; V344-A369 HydrophobicContact CG2-CB 4.35Å
345S98.6Very high98.3Very high0 Ų025 Ų250%015%0.145CC..THydrogen-bonded Turntrans-105.614.2174-42.30000112.3T189 N343 R372T189-S345 VanDerWaalsContact CA-O 3.26Å; T189-S345 WeakPolarHBondContact CA-O 3.49Å; T189-S345 PolarHBondContact N-O 2.83Å; T189-S345 PolarHBondContact OG1-O 2.8Å; N343-S345 PolarHBondContact O-N 3.33Å; N343-S345 VanDerWaalsContact O-N 3.08Å; S345-R372 PolarHBondContact OG-NH2 3.08Å
346G98.5Very high98.3Very high0 Ų024.3 Ų24.30%014%0.141CC..  trans77.2174.9-16700000112.2T189 N343T189-G346 WeakPolarHBondContact OG1-CA 3.28Å; N343-G346 WeakPolarHBondContact O-CA 3.42Å; N343-G346 PolarHBondContact O-N 2.9Å
347G98.5Very high98.3Very high1 Ų121.2 Ų21.21%0.0111%0.109CC..  trans-134.8-153.2-171.200000113.6S185 E322 I349 S350 L351S185-G347 PolarHBondContact OG-N 2.94Å; E322-G347 VanDerWaalsContact OE2-C 3.23Å; E322-G347 WeakPolarHBondContact OE2-CA 3.38Å; E322-G347 PolarHBondContact OE2-N 3.48Å; G347-I349 VanDerWaalsContact C-N 3.31Å; G347-I349 PolarHBondContact O-N 2.95Å; G347-S350 PolarHBondContact N-OG 3.41Å; G347-S350 PolarHBondContact O-N 3.03Å; G347-S350 PolarHBondContact O-OG 3.43Å; G347-L351 VanDerWaalsContact O-CB 3.26Å; G347-L351 WeakPolarHBondContact O-CB 3.48Å; G347-L351 PolarHBondContact O-N 2.88Å
348A98.6Very high98.4Very high0 Ų020.4 Ų20.40%011%0.105CC..Hα-helixtrans-73.1-17.8-170.300000114.6S252 N321 E322 S350 G352 H353S252-A348 VanDerWaalsContact CB-O 3.29Å; S252-A348 WeakPolarHBondContact CB-O 3.37Å; N321-A348 WeakPolarHBondContact OD1-CB 3.37Å; E322-A348 HydrophobicContact CB-CB 4.17Å; E322-A348 PolarHBondContact OE2-N 2.92Å; A348-S350 PolarHBondContact O-N 3.16Å; A348-G352 WeakPolarHBondContact CB-O 3.39Å; A348-G352 VanDerWaalsContact O-CA 3.27Å; A348-G352 WeakPolarHBondContact O-CA 3.2Å; A348-G352 PolarHBondContact O-N 2.9Å; A348-H353 HydrophobicContact CB-CB 4.27Å
349I98.8Very high98.4Very high0 Ų016.4 Ų16.40%08%0.083CC..Hα-helixtrans-65.2-33.3172.4-69.5167.3000110.7F181 A182 Q186 F221 E322 A325 G347F181-I349 HydrophobicContact CD1-CD1 3.77Å; F181-I349 HydrophobicContact CE1-CD1 3.78Å; A182-I349 HydrophobicContact CB-CD1 4.41Å; A182-I349 HydrophobicContact CB-CG2 3.82Å; Q186-I349 PolarHBondContact NE2-O 2.63Å; F221-I349 WeakPolarHBondContact CE1-O 3.28Å; E322-I349 HydrophobicContact CB-CD1 4.03Å; E322-I349 HydrophobicContact CB-CG1 3.82Å; E322-I349 PolarHBondContact OE2-N 3.15Å; A325-I349 HydrophobicContact CB-CD1 3.81Å; G347-I349 VanDerWaalsContact C-N 3.31Å; G347-I349 PolarHBondContact O-N 2.95Å
350S98.3Very high98.6Very high0 Ų011.8 Ų11.80%06%0.062CC..Hα-helixtrans-97.9-43178.954.30000113.3S185 T189 F221 P222 G347 A348S185-S350 PolarHBondContact O-OG 3.49Å; S185-S350 PolarHBondContact OG-OG 3.37Å; T189-S350 WeakPolarHBondContact CB-OG 3.16Å; T189-S350 WeakPolarHBondContact OG1-CB 3.35Å; T189-S350 PolarHBondContact OG1-OG 3.12Å; F221-S350 CarbonylContact C-O 3.57Å; F221-S350 VanDerWaalsContact CD1-O 3.31Å; F221-S350 WeakPolarHBondContact CD1-O 3.42Å; P222-S350 VanDerWaalsContact CA-O 3.27Å; P222-S350 WeakPolarHBondContact CA-O 3.35Å; P222-S350 WeakPolarHBondContact CD-O 3.36Å; P222-S350 WeakPolarHBondContact CG-O 3.3Å; P222-S350 VanDerWaalsContact N-O 3.08Å; G347-S350 PolarHBondContact N-OG 3.41Å; G347-S350 PolarHBondContact O-N 3.03Å; G347-S350 PolarHBondContact O-OG 3.43Å; A348-S350 PolarHBondContact O-N 3.16Å
351L98.8Very high98.6Very high0 Ų05.8 Ų5.80%03%0.029CC..Hα-helixtrans-84-28.9-175.8-69.6167.7000113.4I18 T189 F198 D219 P222 G347I18-L351 WeakPolarHBondContact CB-O 3.49Å; I18-L351 HydrophobicContact CD1-CB 3.97Å; I18-L351 WeakPolarHBondContact CD1-O 3.33Å; I18-L351 WeakPolarHBondContact CG2-O 3.34Å; T189-L351 HydrophobicContact CG2-CD2 3.65Å; T189-L351 HydrophobicContact CG2-CG 4.08Å; F198-L351 HydrophobicContact CE2-CD2 4.18Å; F198-L351 HydrophobicContact CZ-CD1 4.26Å; F198-L351 HydrophobicContact CZ-CD2 4.07Å; D219-L351 HydrophobicContact CB-CD2 4.13Å; P222-L351 HydrophobicContact CG-CD2 4.48Å; G347-L351 VanDerWaalsContact O-CB 3.26Å; G347-L351 WeakPolarHBondContact O-CB 3.48Å; G347-L351 PolarHBondContact O-N 2.88Å
352G98.6Very high98.7Very high0 Ų03 Ų30%02%0.017CC..  trans102.5169.8-174.600000115N255 A348N255-G352 VanDerWaalsContact CG-CA 3.48Å; N255-G352 WeakPolarHBondContact OD1-CA 3.23Å; A348-G352 WeakPolarHBondContact CB-O 3.39Å; A348-G352 VanDerWaalsContact O-CA 3.27Å; A348-G352 WeakPolarHBondContact O-CA 3.2Å; A348-G352 PolarHBondContact O-N 2.9Å
353H98.8Very high98.7Very high10 Ų102.8 Ų2.85%0.0462%0.016CC..  trans-136.374-172.2-169.842.8000114.1C92 S252 N255 N321 A348 I355 S358C92-H353 PolarHBondContact SG-NE2 3.44Å; S252-H353 VanDerWaalsContact OG-CB 3.32Å; S252-H353 WeakPolarHBondContact OG-CB 3.45Å; N255-H353 PolarHBondContact OD1-N 2.93Å; N321-H353 PolarHBondContact ND2-CE1 3.24Å; N321-H353 PolarHBondContact ND2-ND1 3.29Å; A348-H353 HydrophobicContact CB-CB 4.27Å; H353-I355 PolarHBondContact O-N 3.34Å; H353-I355 VanDerWaalsContact O-N 3.11Å; H353-S358 VanDerWaalsContact CE1-CB 3.41Å; H353-S358 WeakPolarHBondContact CE1-CB 3.44Å; H353-S358 PolarHBondContact CE1-OG 3.47Å; H353-S358 WeakPolarHBondContact ND1-CB 3.16Å; H353-S358 PolarHBondContact ND1-OG 2.93Å
354P98.6Very high98.7Very high0 Ų02.6 Ų2.60%02%0.015CC..  trans-69.1108.1167.7-8.323.9000108.5I18 E120 N255 G356 M357 S358I18-P354 HydrophobicContact CG2-CG 3.85Å; E120-P354 HydrophobicContact CB-CB 3.83Å; N255-P354 HydrophobicContact CB-CB 4.41Å; N255-P354 HydrophobicContact CB-CG 3.68Å; N255-P354 WeakPolarHBondContact O-CA 3.17Å; N255-P354 WeakPolarHBondContact O-CB 3.5Å; P354-G356 PolarHBondContact O-N 3.09Å; P354-M357 HydrophobicContact CB-CB 3.97Å; P354-M357 HydrophobicContact CB-SD 4.14Å; P354-M357 HydrophobicContact CG-SD 3.76Å; P354-M357 PolarHBondContact O-N 2.83Å; P354-M357 VanDerWaalsContact O-N 3.08Å; P354-S358 WeakPolarHBondContact O-CB 3.46Å; P354-S358 PolarHBondContact O-N 3.42Å; P354-S358 PolarHBondContact O-OG 3.05Å
355I98.2Very high98.7Very high1 Ų10.7 Ų0.71%0.0050%0.003CC..Hα-helixtrans-58-48.3-160.656.8176.6000113.8V60 L61 C92 E120 M122 H353 M357V60-I355 HydrophobicContact CB-CD1 3.7Å; V60-I355 HydrophobicContact CB-CG1 3.96Å; V60-I355 HydrophobicContact CG1-CD1 3.71Å; V60-I355 HydrophobicContact CG1-CG1 4.48Å; V60-I355 HydrophobicContact CG2-CB 4.49Å; V60-I355 HydrophobicContact CG2-CD1 4.06Å; V60-I355 HydrophobicContact CG2-CG1 3.94Å; L61-I355 HydrophobicContact CD1-CD1 4.37Å; L61-I355 HydrophobicContact CD2-CD1 4.28Å; L61-I355 HydrophobicContact CG-CD1 4.11Å; C92-I355 WeakPolarHBondContact CA-O 3.18Å; E120-I355 HydrophobicContact CG-CG1 3.81Å; E120-I355 WeakPolarHBondContact OE2-CG1 3.48Å; M122-I355 HydrophobicContact CE-CD1 4.4Å; M122-I355 HydrophobicContact CE-CG1 4.48Å; M122-I355 HydrophobicContact CE-CG2 4.13Å; M122-I355 HydrophobicContact SD-CG1 4.49Å; M122-I355 HydrophobicContact SD-CG2 4.24Å; H353-I355 PolarHBondContact O-N 3.34Å; H353-I355 VanDerWaalsContact O-N 3.11Å; I355-M357 VanDerWaalsContact C-N 3.33Å; I355-M357 PolarHBondContact O-N 3.48Å
356G98.6Very high98.7Very high0 Ų00.7 Ų0.70%00%0.003CC..Hα-helixtrans-67.2-27.8177.500000114.9G95 G118 E120 P354G95-G356 WeakPolarHBondContact CA-O 3.38Å; G95-G356 PolarHBondContact N-O 2.97Å; G95-G356 VanDerWaalsContact N-O 3.1Å; G118-G356 WeakPolarHBondContact CA-O 3.38Å; E120-G356 WeakPolarHBondContact OE2-CA 3.22Å; E120-G356 PolarHBondContact OE2-N 2.76Å; P354-G356 PolarHBondContact O-N 3.09Å
357M98.6Very high98.7Very high0 Ų01 Ų10%01%0.005CC..Hα-helixtrans-82.6-37.4179.7-179.5-160.7179.200113R15 I18 G257 A258 A259 P354 I355 G359 C360 R361R15-M357 HydrophobicContact CB-CE 3.79Å; I18-M357 HydrophobicContact CG1-CE 4.26Å; G257-M357 VanDerWaalsContact CA-SD 3.5Å; A258-M357 VanDerWaalsContact C-CE 3.44Å; A258-M357 PolarHBondContact N-SD 3.2Å; A258-M357 VanDerWaalsContact N-SD 3.36Å; A258-M357 WeakPolarHBondContact O-CE 3.36Å; A259-M357 HydrophobicContact CB-CE 4.02Å; A259-M357 HydrophobicContact CB-CG 3.91Å; P354-M357 HydrophobicContact CB-CB 3.97Å; P354-M357 HydrophobicContact CB-SD 4.14Å; P354-M357 HydrophobicContact CG-SD 3.76Å; P354-M357 PolarHBondContact O-N 2.83Å; P354-M357 VanDerWaalsContact O-N 3.08Å; I355-M357 VanDerWaalsContact C-N 3.33Å; I355-M357 PolarHBondContact O-N 3.48Å; M357-G359 VanDerWaalsContact C-N 3.25Å; M357-G359 PolarHBondContact O-N 2.97Å; M357-C360 PolarHBondContact O-N 2.87Å; M357-R361 HydrophobicContact CE-CB 4.03Å; M357-R361 HydrophobicContact CE-CG 3.79Å; M357-R361 HydrophobicContact CG-CB 4.2Å; M357-R361 PolarHBondContact O-N 2.86Å; M357-R361 HydrophobicContact SD-CB 4.44Å
358S98.8Very high98.7Very high0 Ų01.6 Ų1.60%01%0.008CC..Hα-helixtrans-57.7-35.9-156.8-720000114H353 P354 C360 R361 V362H353-S358 VanDerWaalsContact CE1-CB 3.41Å; H353-S358 WeakPolarHBondContact CE1-CB 3.44Å; H353-S358 PolarHBondContact CE1-OG 3.47Å; H353-S358 WeakPolarHBondContact ND1-CB 3.16Å; H353-S358 PolarHBondContact ND1-OG 2.93Å; P354-S358 WeakPolarHBondContact O-CB 3.46Å; P354-S358 PolarHBondContact O-N 3.42Å; P354-S358 PolarHBondContact O-OG 3.05Å; S358-C360 VanDerWaalsContact C-N 3.34Å; S358-C360 PolarHBondContact O-N 2.79Å; S358-R361 PolarHBondContact O-N 2.9Å; S358-V362 WeakPolarHBondContact O-CG2 3.35Å; S358-V362 PolarHBondContact O-N 3.07Å
359G98.8Very high98.7Very high0 Ų01.7 Ų1.70%01%0.008CC..Hα-helixtrans-60.7-39.5176.100000114.3M357 V362 L382M357-G359 VanDerWaalsContact C-N 3.25Å; M357-G359 PolarHBondContact O-N 2.97Å; G359-V362 VanDerWaalsContact O-CG2 3.3Å; G359-V362 WeakPolarHBondContact O-CG2 3.08Å; G359-L382 VanDerWaalsContact CA-CD2 3.49Å
360C98.9Very high98.7Very high0 Ų01.7 Ų1.70%01%0.008CC..Hα-helixtrans-76.8-37.3174.1-174.80000110.8A259 M357 S358 V362 L363 V364A259-C360 HydrophobicContact CB-CB 3.88Å; M357-C360 PolarHBondContact O-N 2.87Å; S358-C360 VanDerWaalsContact C-N 3.34Å; S358-C360 PolarHBondContact O-N 2.79Å; C360-V362 PolarHBondContact O-N 3.48Å; C360-L363 WeakPolarHBondContact O-CB 3.44Å; C360-L363 PolarHBondContact O-N 2.86Å; C360-L363 VanDerWaalsContact O-N 3.12Å; C360-V364 WeakPolarHBondContact O-CG2 3.33Å; C360-V364 PolarHBondContact O-N 2.86Å
361R98.9Very high98.6Very high1 Ų15 Ų50%0.0043%0.026CC..Hα-helixtrans-55.8-49.9178.3-170.1-83-66.5165-2.5112.4I18 A259 M357 S358 L363 V364 T365I18-R361 HydrophobicContact CD1-CG 4.15Å; A259-R361 HydrophobicContact CB-CB 4.41Å; M357-R361 HydrophobicContact CE-CB 4.03Å; M357-R361 HydrophobicContact CE-CG 3.79Å; M357-R361 HydrophobicContact CG-CB 4.2Å; M357-R361 PolarHBondContact O-N 2.86Å; M357-R361 HydrophobicContact SD-CB 4.44Å; S358-R361 PolarHBondContact O-N 2.9Å; R361-L363 VanDerWaalsContact C-N 3.26Å; R361-L363 PolarHBondContact O-N 3.45Å; R361-V364 WeakPolarHBondContact O-CB 3.3Å; R361-V364 PolarHBondContact O-N 2.66Å; R361-T365 PolarHBondContact O-N 2.85Å; R361-T365 PolarHBondContact O-OG1 3.34Å
362V98.9Very high98.6Very high0 Ų09.2 Ų9.20%04%0.042CC..Hα-helixtrans-63.3-33.8179.3-650000112E319 N321 S358 G359 C360 L366 A380 L382E319-V362 HydrophobicContact CB-CB 4.06Å; N321-V362 HydrophobicContact CB-CG1 4.23Å; S358-V362 WeakPolarHBondContact O-CG2 3.35Å; S358-V362 PolarHBondContact O-N 3.07Å; G359-V362 VanDerWaalsContact O-CG2 3.3Å; G359-V362 WeakPolarHBondContact O-CG2 3.08Å; C360-V362 PolarHBondContact O-N 3.48Å; V362-L366 WeakPolarHBondContact O-CB 3.48Å; V362-L366 PolarHBondContact O-N 2.79Å; V362-A380 HydrophobicContact CG2-CB 4.28Å; V362-L382 HydrophobicContact CG2-CD1 3.81Å; V362-L382 HydrophobicContact CG2-CD2 4.18Å; V362-L382 HydrophobicContact CG2-CG 4.11Å
363L98.9Very high98.5Very high0 Ų013 Ų130%07%0.065CC..Hα-helixtrans-68.6-43.917417462.8000111.7I10 L96 V99 C360 R361 T365 L366 L367 A380 M392 V394I10-L363 HydrophobicContact CD1-CD1 4.26Å; I10-L363 HydrophobicContact CD1-CD2 4.04Å; I10-L363 HydrophobicContact CD1-CG 4.44Å; L96-L363 HydrophobicContact CD1-CB 4.07Å; L96-L363 HydrophobicContact CD1-CD2 3.84Å; L96-L363 HydrophobicContact CD1-CG 4.49Å; V99-L363 HydrophobicContact CB-CD2 4.33Å; V99-L363 HydrophobicContact CG1-CD2 3.93Å; V99-L363 HydrophobicContact CG2-CD2 4.04Å; C360-L363 WeakPolarHBondContact O-CB 3.44Å; C360-L363 PolarHBondContact O-N 2.86Å; C360-L363 VanDerWaalsContact O-N 3.12Å; R361-L363 VanDerWaalsContact C-N 3.26Å; R361-L363 PolarHBondContact O-N 3.45Å; L363-T365 PolarHBondContact O-N 3.42Å; L363-L366 WeakPolarHBondContact O-CB 3.26Å; L363-L366 PolarHBondContact O-N 2.9Å; L363-L367 HydrophobicContact CD1-CD1 4.16Å; L363-L367 HydrophobicContact CD1-CD2 4.48Å; L363-L367 HydrophobicContact CD1-CG 4.1Å; L363-L367 HydrophobicContact CG-CD1 4.11Å; L363-L367 HydrophobicContact CG-CG 4.49Å; L363-L367 VanDerWaalsContact O-CG 3.24Å; L363-L367 WeakPolarHBondContact O-CG 3.25Å; L363-L367 PolarHBondContact O-N 2.93Å; L363-A380 HydrophobicContact CB-CB 4.25Å; L363-A380 HydrophobicContact CD1-CB 4.39Å; L363-M392 HydrophobicContact CD1-SD 4.4Å; L363-M392 HydrophobicContact CD2-SD 3.98Å; L363-V394 HydrophobicContact CD1-CG1 3.98Å
364V98.9Very high98.3Very high0 Ų014.6 Ų14.60%08%0.084CC..Hα-helixtrans-54.9-53.8174.6171.40000109.4A13 R15 E201 A259 C360 R361 L366 L367 H368A13-V364 HydrophobicContact CB-CB 4.5Å; A13-V364 HydrophobicContact CB-CG1 4.39Å; A13-V364 HydrophobicContact CB-CG2 4.07Å; R15-V364 HydrophobicContact CB-CG1 4.47Å; R15-V364 HydrophobicContact CG-CG1 4.23Å; E201-V364 HydrophobicContact CB-CG1 3.84Å; A259-V364 HydrophobicContact CB-CG2 4.17Å; C360-V364 WeakPolarHBondContact O-CG2 3.33Å; C360-V364 PolarHBondContact O-N 2.86Å; R361-V364 WeakPolarHBondContact O-CB 3.3Å; R361-V364 PolarHBondContact O-N 2.66Å; V364-L366 VanDerWaalsContact C-N 3.32Å; V364-L366 PolarHBondContact O-N 3.04Å; V364-L367 PolarHBondContact O-N 3Å; V364-H368 PolarHBondContact O-CD2 2.83Å; V364-H368 PolarHBondContact O-N 3.29Å; V364-H368 VanDerWaalsContact O-N 3.17Å
365T98.9Very high98.2Very high1 Ų115.1 Ų15.11%0.0069%0.089CC..Hα-helixtrans-60.5-40180-55.80000112.3F198 E201 R361 L363 L367 H368 A369F198-T365 HydrophobicContact CE1-CG2 4.21Å; E201-T365 PolarHBondContact OE1-OG1 3.25Å; E201-T365 WeakPolarHBondContact OE2-CA 3.38Å; R361-T365 PolarHBondContact O-N 2.85Å; R361-T365 PolarHBondContact O-OG1 3.34Å; L363-T365 PolarHBondContact O-N 3.42Å; T365-L367 PolarHBondContact O-N 3.29Å; T365-H368 PolarHBondContact O-N 2.94Å; T365-A369 VanDerWaalsContact O-CB 3.22Å; T365-A369 WeakPolarHBondContact O-CB 3.43Å; T365-A369 PolarHBondContact O-N 3.21Å
366L98.9Very high98.2Very high0 Ų021.4 Ų21.40%011%0.113CC..Hα-helixtrans-59.4-46.3175.4178.663000112.3L317 E319 V362 L363 V364 A369 L370 V379 A380 V394L317-L366 HydrophobicContact CB-CD1 3.74Å; E319-L366 HydrophobicContact CB-CB 4.09Å; E319-L366 HydrophobicContact CG-CB 3.75Å; E319-L366 HydrophobicContact CG-CD1 4.23Å; V362-L366 WeakPolarHBondContact O-CB 3.48Å; V362-L366 PolarHBondContact O-N 2.79Å; L363-L366 WeakPolarHBondContact O-CB 3.26Å; L363-L366 PolarHBondContact O-N 2.9Å; V364-L366 VanDerWaalsContact C-N 3.32Å; V364-L366 PolarHBondContact O-N 3.04Å; L366-A369 PolarHBondContact O-N 2.89Å; L366-L370 HydrophobicContact CD1-CD1 4.24Å; L366-L370 HydrophobicContact CD1-CG 4.16Å; L366-L370 HydrophobicContact CG-CD1 4.08Å; L366-L370 HydrophobicContact CG-CG 4.43Å; L366-L370 WeakPolarHBondContact O-CB 3.29Å; L366-L370 VanDerWaalsContact O-CG 3.29Å; L366-L370 WeakPolarHBondContact O-CG 3.49Å; L366-L370 PolarHBondContact O-N 3.25Å; L366-V379 VanDerWaalsContact CD2-C 3.48Å; L366-A380 HydrophobicContact CD2-CB 3.88Å; L366-V394 HydrophobicContact CD2-CG2 3.85Å; L366-V394 HydrophobicContact CG-CG2 4.43Å
367L98.8Very high98.2Very high6 Ų623.2 Ų23.23%0.03112%0.121CC..Hα-helixtrans-63-44.9-178.1-68166.7000111.5I10 A13 M277 A278 L363 V364 T365 N371 V394I10-L367 HydrophobicContact CB-CD1 4.42Å; I10-L367 HydrophobicContact CD1-CD1 3.84Å; I10-L367 HydrophobicContact CD1-CD2 4.24Å; I10-L367 HydrophobicContact CG2-CD1 3.83Å; A13-L367 HydrophobicContact CB-CD1 3.76Å; M277-L367 HydrophobicContact CE-CB 3.84Å; A278-L367 HydrophobicContact CB-CD2 3.41Å; A278-L367 VanDerWaalsContact CB-CD2 3.41Å; L363-L367 HydrophobicContact CD1-CD1 4.16Å; L363-L367 HydrophobicContact CD1-CD2 4.48Å; L363-L367 HydrophobicContact CD1-CG 4.1Å; L363-L367 HydrophobicContact CG-CD1 4.11Å; L363-L367 HydrophobicContact CG-CG 4.49Å; L363-L367 VanDerWaalsContact O-CG 3.24Å; L363-L367 WeakPolarHBondContact O-CG 3.25Å; L363-L367 PolarHBondContact O-N 2.93Å; V364-L367 PolarHBondContact O-N 3Å; T365-L367 PolarHBondContact O-N 3.29Å; L367-N371 PolarHBondContact O-N 3.36Å; L367-N371 VanDerWaalsContact O-N 3.14Å; L367-V394 HydrophobicContact CD2-CG2 4.21Å
368H98.7Very high98.2Very high15 Ų1523.2 Ų23.27%0.06912%0.121CC..Hα-helixtrans-68.6-37.8177.1-73.7-74.8000112.1A13 E201 V364 T365 N371 R372A13-H368 PolarHBondContact O-NE2 3.06Å; E201-H368 WeakPolarHBondContact CB-CD2 3.42Å; E201-H368 IonicContact OE2-CD2 3.7Å; E201-H368 IonicContact OE2-CG 4Å; V364-H368 PolarHBondContact O-CD2 2.83Å; V364-H368 PolarHBondContact O-N 3.29Å; V364-H368 VanDerWaalsContact O-N 3.17Å; T365-H368 PolarHBondContact O-N 2.94Å; H368-N371 PolarHBondContact O-N 3.24Å; H368-R372 WeakPolarHBondContact O-CB 3.46Å; H368-R372 PolarHBondContact O-N 2.98Å
369A98.6Very high98.2Very high1 Ų123.2 Ų23.21%0.00812%0.121CC..Hα-helixtrans-64.9-45.9175.200000112.2L317 V344 T365 L366 N371 R372 T373L317-A369 HydrophobicContact CD1-CB 3.78Å; V344-A369 HydrophobicContact CG2-CB 4.35Å; T365-A369 VanDerWaalsContact O-CB 3.22Å; T365-A369 WeakPolarHBondContact O-CB 3.43Å; T365-A369 PolarHBondContact O-N 3.21Å; L366-A369 PolarHBondContact O-N 2.89Å; A369-N371 VanDerWaalsContact C-N 3.27Å; A369-N371 PolarHBondContact O-N 3.33Å; A369-R372 PolarHBondContact O-N 3.23Å; A369-T373 WeakPolarHBondContact O-CG2 3.46Å; A369-T373 PolarHBondContact O-N 3.25Å; A369-T373 PolarHBondContact O-OG1 3.01Å
370L98.4Very high98.2Very high1 Ų123.2 Ų23.21%0.00512%0.121CC..Hα-helixtrans-57.9-40.9175.1-74.5169.4000111.7D316 L317 L366 G374 G375 V394D316-L370 HydrophobicContact CB-CD2 4.49Å; L317-L370 HydrophobicContact CB-CD2 4.08Å; L317-L370 HydrophobicContact CD1-CD2 3.94Å; L317-L370 HydrophobicContact CD1-CG 4.16Å; L317-L370 HydrophobicContact CG-CD2 4.12Å; L366-L370 HydrophobicContact CD1-CD1 4.24Å; L366-L370 HydrophobicContact CD1-CG 4.16Å; L366-L370 HydrophobicContact CG-CD1 4.08Å; L366-L370 HydrophobicContact CG-CG 4.43Å; L366-L370 WeakPolarHBondContact O-CB 3.29Å; L366-L370 VanDerWaalsContact O-CG 3.29Å; L366-L370 WeakPolarHBondContact O-CG 3.49Å; L366-L370 PolarHBondContact O-N 3.25Å; L370-G374 CarbonylContact O-C 3.57Å; L370-G374 WeakPolarHBondContact O-CA 3.4Å; L370-G374 PolarHBondContact O-N 2.97Å; L370-G375 PolarHBondContact O-N 2.8Å; L370-V394 HydrophobicContact CD1-CG2 4.01Å
371N96.9Very high98.2Very high70 Ų7023.2 Ų23.237%0.37412%0.121SC..Hα-helixtrans-63.8-49.9175.9-172.554.8000111.5L367 H368 A369 T373 G374L367-N371 PolarHBondContact O-N 3.36Å; L367-N371 VanDerWaalsContact O-N 3.14Å; H368-N371 PolarHBondContact O-N 3.24Å; A369-N371 VanDerWaalsContact C-N 3.27Å; A369-N371 PolarHBondContact O-N 3.33Å; N371-T373 PolarHBondContact O-N 3.43Å; N371-G374 PolarHBondContact O-N 2.83Å
372R97.3Very high98.2Very high88 Ų8823.1 Ų23.133%0.33212%0.121SC..Hα-helixtrans-62.7-40.2-178.4-177179.665.8-117.75.1113H197 S345 H368 A369H197-R372 PolarHBondContact O-NH1 2.62Å; S345-R372 PolarHBondContact OG-NH2 3.08Å; H368-R372 WeakPolarHBondContact O-CB 3.46Å; H368-R372 PolarHBondContact O-N 2.98Å; A369-R372 PolarHBondContact O-N 3.23Å
373T96.7Very high98.2Very high80 Ų8023.2 Ų23.249%0.49112%0.121SC..Hα-helixtrans-90.8-6.7-176.664.90000113.3A369 N371 G375A369-T373 WeakPolarHBondContact O-CG2 3.46Å; A369-T373 PolarHBondContact O-N 3.25Å; A369-T373 PolarHBondContact O-OG1 3.01Å; N371-T373 PolarHBondContact O-N 3.43Å; T373-G375 PolarHBondContact O-N 2.78Å; T373-G375 PolarHBondContact OG1-N 3.1Å
374G95.9Very high98.2Very high43 Ų4323.2 Ų23.244%0.44312%0.121SC..  trans72.83.9-17200000114.3L370 N371 R396L370-G374 CarbonylContact O-C 3.57Å; L370-G374 WeakPolarHBondContact O-CA 3.4Å; L370-G374 PolarHBondContact O-N 2.97Å; N371-G374 PolarHBondContact O-N 2.83Å; G374-R396 PolarHBondContact O-NH2 3.24Å
375G96.6Very high98.1Very high10 Ų1023.6 Ų23.610%0.10313%0.125CC..  trans-57.2149.3175.700000112.4L370 T373 R396L370-G375 PolarHBondContact O-N 2.8Å; T373-G375 PolarHBondContact O-N 2.78Å; T373-G375 PolarHBondContact OG1-N 3.1Å; G375-R396 PolarHBondContact O-NE 3.35Å
376R97.3Very high98.1Very high134 Ų13424.7 Ų24.751%0.50614%0.137SC..  trans-108.6-47.3-173.7-176.6172.1173.4164.50.4112.4D316 E395 R396D316-R376 WeakPolarHBondContact OD2-CA 3.37Å; D316-R376 PolarHBondContact OD2-N 2.58Å; R376-E395 HydrophobicContact CG-CG 3.96Å; R376-E395 IonicContact CZ-OE1 3.29Å; R376-E395 IonicContact NE-OE1 3.03Å; R376-E395 PolarHBondContact NE-OE1 3.2Å; R376-E395 IonicContact NH2-OE1 3.32Å; R376-E395 PolarHBondContact NH2-OE1 2.81Å; R376-E395 CarbonylContact O-C 3.56Å; R376-E395 VanDerWaalsContact O-CA 3.3Å; R376-E395 WeakPolarHBondContact O-CA 3.49Å; R376-R396 PolarHBondContact O-N 2.85Å
377K98.6Very high98Very high37 Ų3724.8 Ų24.816%0.16114%0.138CC..EExtended strand (participates in β ladder)trans-106.4123.2-176.1-68179.4174.7-175.60110.6W310 Q314 D316 L317W310-K377 HydrophobicContact CD2-CD 3.81Å; W310-K377 HydrophobicContact CD2-CG 4.38Å; W310-K377 HydrophobicContact CE3-CB 4.23Å; W310-K377 HydrophobicContact CE3-CD 4.1Å; W310-K377 HydrophobicContact CE3-CG 4.35Å; W310-K377 HydrophobicContact CG-CD 4.3Å; W310-K377 HydrophobicContact CH2-CB 3.88Å; W310-K377 HydrophobicContact CH2-CD 4.26Å; W310-K377 HydrophobicContact CH2-CG 3.76Å; W310-K377 HydrophobicContact CZ2-CB 4.38Å; W310-K377 HydrophobicContact CZ2-CD 3.97Å; W310-K377 HydrophobicContact CZ2-CG 3.76Å; W310-K377 HydrophobicContact CZ3-CB 3.79Å; W310-K377 HydrophobicContact CZ3-CD 4.32Å; W310-K377 HydrophobicContact CZ3-CG 4.06Å; Q314-K377 HydrophobicContact CB-CD 4.29Å; Q314-K377 WeakPolarHBondContact O-CD 3.38Å; D316-K377 WeakPolarHBondContact CB-O 3.33Å; D316-K377 PolarHBondContact N-O 2.92Å; D316-K377 PolarHBondContact OD2-N 3.29Å; L317-K377 PolarHBondContact N-O 3.35Å
378G98.8Very high98Very high0 Ų027.4 Ų27.40%015%0.15CC..EExtended strand (participates in β ladder)trans-122.8152.117800000113.4L317 C393 V394L317-G378 VanDerWaalsContact O-CA 3.29Å; L317-G378 WeakPolarHBondContact O-CA 3.43Å; G378-C393 WeakPolarHBondContact O-CA 3.46Å; G378-V394 PolarHBondContact N-O 2.87Å; G378-V394 PolarHBondContact O-N 3.12Å
379V98.9Very high98Very high0 Ų026.7 Ų26.70%015%0.147CC..EExtended strand (participates in β ladder)trans-128.6124.2170.3177.20000110.5I301 V305 V315 L317 F318 E319 L366 M392I301-V379 HydrophobicContact CG1-CG1 4.02Å; I301-V379 HydrophobicContact CG2-CG1 4.28Å; V305-V379 HydrophobicContact CG2-CG2 4.06Å; V315-V379 HydrophobicContact CG1-CB 4.29Å; V315-V379 HydrophobicContact CG1-CG2 3.82Å; V315-V379 HydrophobicContact CG2-CG2 3.86Å; L317-V379 PolarHBondContact O-N 2.86Å; F318-V379 CarbonylContact C-O 3.51Å; F318-V379 WeakPolarHBondContact CA-O 3.41Å; F318-V379 HydrophobicContact CD1-CB 3.69Å; F318-V379 HydrophobicContact CD1-CG1 4.15Å; F318-V379 HydrophobicContact CD1-CG2 4.31Å; F318-V379 HydrophobicContact CE1-CB 3.96Å; F318-V379 HydrophobicContact CE1-CG1 4.43Å; F318-V379 HydrophobicContact CE1-CG2 4.09Å; E319-V379 PolarHBondContact N-O 3.21Å; L366-V379 VanDerWaalsContact CD2-C 3.48Å; V379-M392 WeakPolarHBondContact CA-O 3.21Å
380A98.9Very high98Very high0 Ų026.7 Ų26.70%015%0.147CC..EExtended strand (participates in β ladder)trans-104.3133.1169.300000109.5L96 E319 V362 L363 L366 A391 M392L96-A380 HydrophobicContact CD2-CB 4.49Å; E319-A380 CarbonylContact O-C 3.34Å; E319-A380 WeakPolarHBondContact O-CA 3.33Å; V362-A380 HydrophobicContact CG2-CB 4.28Å; L363-A380 HydrophobicContact CB-CB 4.25Å; L363-A380 HydrophobicContact CD1-CB 4.39Å; L366-A380 HydrophobicContact CD2-CB 3.88Å; A380-A391 CarbonylContact O-C 3.55Å; A380-A391 VanDerWaalsContact O-CA 3.25Å; A380-A391 WeakPolarHBondContact O-CA 3.41Å; A380-M392 PolarHBondContact N-O 3.07Å; A380-M392 PolarHBondContact O-N 3.47Å
381S98.9Very high98.1Very high0 Ų026.6 Ų26.60%015%0.147CC..EExtended strand (participates in β ladder)trans-153.9151.1-179.3-169.80000114.2P297 E319 V320 N321 V390P297-S381 WeakPolarHBondContact CB-OG 3.39Å; E319-S381 PolarHBondContact O-N 2.93Å; V320-S381 WeakPolarHBondContact CA-O 3.23Å; N321-S381 PolarHBondContact N-O 3.23Å; S381-V390 VanDerWaalsContact CA-O 3.23Å; S381-V390 WeakPolarHBondContact CA-O 3.38Å; S381-V390 WeakPolarHBondContact CB-O 3.33Å; S381-V390 PolarHBondContact OG-O 3.42Å
382L98.3Very high98.2Very high0 Ų023.3 Ų23.30%013%0.129CC..EExtended strand (participates in β ladder)trans-145.6145.7-179.2-47.690.4000111.3L96 N321 G359 V362 V390L96-L382 HydrophobicContact CB-CD1 4.17Å; L96-L382 HydrophobicContact CD2-CD1 3.77Å; N321-L382 HydrophobicContact CB-CB 3.97Å; N321-L382 HydrophobicContact CB-CD2 3.47Å; N321-L382 VanDerWaalsContact CB-CD2 3.47Å; N321-L382 HydrophobicContact CB-CG 3.57Å; G359-L382 VanDerWaalsContact CA-CD2 3.49Å; V362-L382 HydrophobicContact CG2-CD1 3.81Å; V362-L382 HydrophobicContact CG2-CD2 4.18Å; V362-L382 HydrophobicContact CG2-CG 4.11Å; L382-V390 HydrophobicContact CB-CG1 4.5Å; L382-V390 HydrophobicContact CD1-CG1 4.09Å; L382-V390 PolarHBondContact N-O 3.37Å; L382-V390 VanDerWaalsContact N-O 3.1Å; L382-V390 PolarHBondContact O-N 2.9Å; L382-V390 VanDerWaalsContact O-N 3.15Å
383C98.3Very high98.2Very high1 Ų119.1 Ų19.11%0.00711%0.113CC..EExtended strand (participates in β ladder)trans-73.3159.7162.2650000110.4C92 M293 P297C92-C383 WeakPolarHBondContact CB-O 3.38Å; M293-C383 WeakPolarHBondContact O-CB 3.49Å; M293-C383 HydrophobicContact SD-CB 4.1Å; P297-C383 HydrophobicContact CG-CB 4.14Å
384I98.8Very high98.3Very high0 Ų015.3 Ų15.30%09%0.09CC..EExtended strand (participates in β ladder)trans-141.1126.4-176-52.5175.3000108.7M90 V91 G387 M388 V390M90-I384 HydrophobicContact CE-CD1 3.6Å; M90-I384 HydrophobicContact CG-CD1 4Å; M90-I384 HydrophobicContact CG-CG2 4.48Å; M90-I384 WeakPolarHBondContact O-CG2 3.16Å; M90-I384 HydrophobicContact SD-CD1 3.86Å; V91-I384 HydrophobicContact CB-CG2 3.82Å; V91-I384 HydrophobicContact CG2-CG2 4.21Å; I384-G387 PolarHBondContact O-N 2.92Å; I384-M388 HydrophobicContact CB-CB 3.83Å; I384-M388 WeakPolarHBondContact CB-O 3.36Å; I384-M388 HydrophobicContact CD1-CB 4.02Å; I384-M388 HydrophobicContact CG1-CB 4.4Å; I384-M388 HydrophobicContact CG2-CB 4.22Å; I384-M388 HydrophobicContact CG2-CE 3.97Å; I384-M388 PolarHBondContact N-O 3.29Å; I384-M388 PolarHBondContact O-N 3.13Å; I384-M388 VanDerWaalsContact O-N 3.1Å; I384-V390 HydrophobicContact CD1-CB 4.08Å; I384-V390 HydrophobicContact CD1-CG1 3.91Å; I384-V390 HydrophobicContact CG1-CG1 4.49Å
385G97.9Very high98.5Very high9 Ų915.2 Ų15.29%0.0938%0.078CC..THydrogen-bonded Turntrans-51.8145.117500000112.2G387G385-G387 VanDerWaalsContact C-N 3.34Å
386G97.7Very high98.4Very high24 Ų2417 Ų1725%0.2478%0.081CC..THydrogen-bonded Turntrans80.99.9-171.100000114.7
387G98.3Very high97.7Very high2 Ų212.1 Ų12.12%0.0217%0.066CC..THydrogen-bonded Turntrans85.756.1170.200000113.7G287 L288 I384 G385G287-G387 CarbonylContact C-O 3.56Å; G287-G387 WeakPolarHBondContact CA-O 3.47Å; L288-G387 WeakPolarHBondContact CD2-O 3.29Å; L288-G387 PolarHBondContact N-O 3.29Å; L288-G387 WeakPolarHBondContact O-CA 3.28Å; L288-G387 VanDerWaalsContact O-O 3.13Å; I384-G387 PolarHBondContact O-N 2.92Å; G385-G387 VanDerWaalsContact C-N 3.34Å
388M98.8Very high96.2Very high60 Ų6012.1 Ų12.130%0.2967%0.073SC..EExtended strand (participates in β ladder)trans-136.2166.9172.2-67.7178.7-75.500112.4M90 V286 I384M90-M388 HydrophobicContact CE-CB 4.21Å; M90-M388 HydrophobicContact CE-CE 4.38Å; M90-M388 HydrophobicContact CE-CG 4.47Å; M90-M388 HydrophobicContact CE-SD 3.57Å; M90-M388 VanDerWaalsContact CE-SD 3.57Å; M90-M388 HydrophobicContact CG-CE 4.35Å; V286-M388 CarbonylContact O-C 3.51Å; V286-M388 WeakPolarHBondContact O-CA 3.47Å; V286-M388 WeakPolarHBondContact O-CB 3.46Å; I384-M388 HydrophobicContact CB-CB 3.83Å; I384-M388 WeakPolarHBondContact CB-O 3.36Å; I384-M388 HydrophobicContact CD1-CB 4.02Å; I384-M388 HydrophobicContact CG1-CB 4.4Å; I384-M388 HydrophobicContact CG2-CB 4.22Å; I384-M388 HydrophobicContact CG2-CE 3.97Å; I384-M388 PolarHBondContact N-O 3.29Å; I384-M388 PolarHBondContact O-N 3.13Å; I384-M388 VanDerWaalsContact O-N 3.1Å
389G98.8Very high94.3Very high0 Ų017.8 Ų17.80%010%0.099CC..EExtended strand (participates in β ladder)trans-142.5150.6169.900000111.7Q285 V286Q285-G389 VanDerWaalsContact CA-O 3.3Å; Q285-G389 WeakPolarHBondContact CA-O 3.26Å; V286-G389 PolarHBondContact N-O 2.56Å; V286-G389 PolarHBondContact O-N 2.82Å
390V98.9Very high91.9Very high1 Ų125.1 Ų25.11%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-132142174.963.50000110.3L96 A284 S381 L382 I384L96-V390 HydrophobicContact CB-CG1 4.36Å; L96-V390 HydrophobicContact CD2-CG1 4.05Å; L96-V390 HydrophobicContact CD2-CG2 4.11Å; L96-V390 HydrophobicContact CG-CG2 4.36Å; A284-V390 WeakPolarHBondContact O-CA 3.44Å; S381-V390 VanDerWaalsContact CA-O 3.23Å; S381-V390 WeakPolarHBondContact CA-O 3.38Å; S381-V390 WeakPolarHBondContact CB-O 3.33Å; S381-V390 PolarHBondContact OG-O 3.42Å; L382-V390 HydrophobicContact CB-CG1 4.5Å; L382-V390 HydrophobicContact CD1-CG1 4.09Å; L382-V390 PolarHBondContact N-O 3.37Å; L382-V390 VanDerWaalsContact N-O 3.1Å; L382-V390 PolarHBondContact O-N 2.9Å; L382-V390 VanDerWaalsContact O-N 3.15Å; I384-V390 HydrophobicContact CD1-CB 4.08Å; I384-V390 HydrophobicContact CD1-CG1 3.91Å; I384-V390 HydrophobicContact CG1-CG1 4.49Å
391A98.9Very high89.5Confident0 Ų030 Ų300%016%0.164CC..EExtended strand (participates in β ladder)trans-142.9147.6174.500000111.4W283 A284 A300 I301 A304 A380W283-A391 CarbonylContact C-O 3.57Å; W283-A391 WeakPolarHBondContact CA-O 3.28Å; W283-A391 VanDerWaalsContact CB-O 3.29Å; W283-A391 WeakPolarHBondContact CB-O 3.45Å; A284-A391 PolarHBondContact N-O 3.36Å; A284-A391 PolarHBondContact O-N 2.92Å; A300-A391 HydrophobicContact CB-CB 3.87Å; I301-A391 HydrophobicContact CG1-CB 4.03Å; A304-A391 HydrophobicContact CB-CB 3.92Å; A380-A391 CarbonylContact O-C 3.55Å; A380-A391 VanDerWaalsContact O-CA 3.25Å; A380-A391 WeakPolarHBondContact O-CA 3.41Å
392M98.9Very high87.2Confident0 Ų031.3 Ų31.30%017%0.17CC..EExtended strand (participates in β ladder)trans-132.1131.5174.7-177.3175.8-69.800110.2L96 V99 C100 I280 W283 L363 V379 A380 V394L96-M392 HydrophobicContact CD1-CB 4.06Å; L96-M392 HydrophobicContact CD1-CE 4.04Å; L96-M392 HydrophobicContact CD1-SD 4.16Å; L96-M392 HydrophobicContact CD2-CB 4.23Å; L96-M392 HydrophobicContact CG-CB 4.42Å; V99-M392 HydrophobicContact CB-CE 3.95Å; V99-M392 HydrophobicContact CG1-CE 3.7Å; V99-M392 HydrophobicContact CG1-SD 4.06Å; C100-M392 WeakPolarHBondContact SG-CE 3.31Å; I280-M392 HydrophobicContact CD1-CE 4.49Å; I280-M392 HydrophobicContact CD1-SD 4.24Å; I280-M392 HydrophobicContact CG1-SD 4.19Å; I280-M392 HydrophobicContact CG2-CE 4.39Å; I280-M392 HydrophobicContact CG2-CG 4.19Å; I280-M392 HydrophobicContact CG2-SD 4.1Å; W283-M392 HydrophobicContact CB-CB 4.46Å; L363-M392 HydrophobicContact CD1-SD 4.4Å; L363-M392 HydrophobicContact CD2-SD 3.98Å; V379-M392 WeakPolarHBondContact CA-O 3.21Å; A380-M392 PolarHBondContact N-O 3.07Å; A380-M392 PolarHBondContact O-N 3.47Å; M392-V394 HydrophobicContact CG-CG1 4.07Å; M392-V394 HydrophobicContact SD-CG1 4.15Å
393C98.9Very high84.6Confident0 Ų039.2 Ų39.20%021%0.211CC..EExtended strand (participates in β ladder)trans-97.8128.5171.9-64.60000109.4V281 S282 A304 A308 W310 G378V281-C393 HydrophobicContact CB-CB 4.33Å; V281-C393 PolarHBondContact N-O 3.44Å; S282-C393 PolarHBondContact N-O 3.44Å; S282-C393 PolarHBondContact O-N 3Å; S282-C393 WeakPolarHBondContact OG-CB 3.27Å; S282-C393 PolarHBondContact OG-SG 3Å; A304-C393 VanDerWaalsContact C-SG 3.6Å; A308-C393 HydrophobicContact CB-CB 4.18Å; W310-C393 HydrophobicContact CE3-CB 4.21Å; W310-C393 HydrophobicContact CH2-CB 4.09Å; W310-C393 HydrophobicContact CZ3-CB 3.67Å; G378-C393 WeakPolarHBondContact O-CA 3.46Å
394V98.8Very high81.9Confident0 Ų042.4 Ų42.40%024%0.238CC..EExtended strand (participates in β ladder)trans-125.7144.6177.5-63.30000110.9I10 A278 K279 W310 L363 L366 L367 L370 G378 M392I10-V394 HydrophobicContact CD1-CG1 4.36Å; A278-V394 HydrophobicContact CB-CB 4.11Å; K279-V394 CarbonylContact O-C 3.54Å; K279-V394 VanDerWaalsContact O-CA 3.26Å; K279-V394 WeakPolarHBondContact O-CA 3.26Å; W310-V394 WeakPolarHBondContact CH2-O 3.33Å; L363-V394 HydrophobicContact CD1-CG1 3.98Å; L366-V394 HydrophobicContact CD2-CG2 3.85Å; L366-V394 HydrophobicContact CG-CG2 4.43Å; L367-V394 HydrophobicContact CD2-CG2 4.21Å; L370-V394 HydrophobicContact CD1-CG2 4.01Å; G378-V394 PolarHBondContact N-O 2.87Å; G378-V394 PolarHBondContact O-N 3.12Å; M392-V394 HydrophobicContact CG-CG1 4.07Å; M392-V394 HydrophobicContact SD-CG1 4.15Å
395E98.3Very high79.1Confident42 Ų4252.2 Ų52.220%0.19629%0.29CS..EExtended strand (participates in β ladder)trans-120.8117.8176-172.4175.7-178.600109.9A278 K279 V281 W310 R376 V397A278-E395 CarbonylContact C-O 3.42Å; A278-E395 VanDerWaalsContact CA-O 3.28Å; A278-E395 WeakPolarHBondContact CA-O 3.48Å; A278-E395 WeakPolarHBondContact CB-O 3.42Å; K279-E395 PolarHBondContact N-O 3.22Å; K279-E395 PolarHBondContact O-N 3.19Å; V281-E395 HydrophobicContact CG2-CB 3.62Å; W310-E395 HydrophobicContact CH2-CB 4.26Å; W310-E395 HydrophobicContact CZ2-CB 4.15Å; R376-E395 HydrophobicContact CG-CG 3.96Å; R376-E395 IonicContact CZ-OE1 3.29Å; R376-E395 IonicContact NE-OE1 3.03Å; R376-E395 PolarHBondContact NE-OE1 3.2Å; R376-E395 IonicContact NH2-OE1 3.32Å; R376-E395 PolarHBondContact NH2-OE1 2.81Å; R376-E395 CarbonylContact O-C 3.56Å; R376-E395 VanDerWaalsContact O-CA 3.3Å; R376-E395 WeakPolarHBondContact O-CA 3.49Å; E395-V397 PolarHBondContact O-N 2.84Å
396R95.4Very high78.2Confident47 Ų4754.4 Ų54.418%0.17730%0.3CS..EExtended strand (participates in β ladder)trans-61.7132.1178.1-172.6177.763.482.8-1.4109.8M277 G374 G375 R376 A398M277-R396 WeakPolarHBondContact O-CG 3.47Å; G374-R396 PolarHBondContact O-NH2 3.24Å; G375-R396 PolarHBondContact O-NE 3.35Å; R376-R396 PolarHBondContact O-N 2.85Å; R396-A398 PolarHBondContact O-N 3.17Å
397V83.5Confident77.1Confident31 Ų3155.9 Ų55.919%0.18830%0.303CS..  trans-82.7115.8175.5-1760000107.8P276 M277 E395 F402P276-V397 HydrophobicContact CB-CG2 4.29Å; M277-V397 PolarHBondContact O-N 2.81Å; E395-V397 PolarHBondContact O-N 2.84Å; V397-F402 HydrophobicContact CG1-CB 4Å; V397-F402 HydrophobicContact CG1-CD2 3.74Å; V397-F402 HydrophobicContact CG1-CG 4.22Å
398A66.4Low76Confident37 Ų3758.9 Ų58.931%0.30632%0.319SS..  trans-69.2135176.900000110.3R396 D400 L401R396-A398 PolarHBondContact O-N 3.17Å; A398-D400 PolarHBondContact O-N 3.29Å; A398-L401 HydrophobicContact CB-CD1 4.4Å; A398-L401 PolarHBondContact O-N 2.87Å; A398-L401 VanDerWaalsContact O-N 3.14Å
399H59.4Low74.6Confident119 Ų11958.9 Ų58.955%0.55132%0.32SS*.THydrogen-bonded Turntrans-57.3-24.3-173-72.5-64000114.7
400D48.8Very low73.1Confident154 Ų15462.6 Ų62.682%0.82434%0.34SS*.THydrogen-bonded Turntrans-89.7-8.7-176.2-54.9-34000114.1A398A398-D400 PolarHBondContact O-N 3.29Å
401L47.8Very low71.4Confident103 Ų10366.7 Ų66.754%0.53936%0.362SS..THydrogen-bonded Turntrans-109.9-11.2-173.5-72.6168.4000114.2A398 L403 A404A398-L401 HydrophobicContact CB-CD1 4.4Å; A398-L401 PolarHBondContact O-N 2.87Å; A398-L401 VanDerWaalsContact O-N 3.14Å; L401-L403 PolarHBondContact O-N 3.25Å; L401-A404 PolarHBondContact O-N 2.67Å
402F49.4Very low69.4Low27 Ų2771.4 Ų71.412%0.11839%0.388CS..THydrogen-bonded Turntrans-74.5-25-173.3-169.4-109.1000113.8Q266 A269 S270 V274 P276 V397Q266-F402 HydrophobicContact CG-CE2 4.45Å; A269-F402 HydrophobicContact CB-CZ 4.08Å; S270-F402 WeakPolarHBondContact OG-CZ 3.36Å; V274-F402 WeakPolarHBondContact O-CE1 3.28Å; P276-F402 VanDerWaalsContact CD-CE2 3.46Å; P276-F402 HydrophobicContact CG-CD2 4.19Å; P276-F402 HydrophobicContact CG-CE1 4.39Å; P276-F402 HydrophobicContact CG-CE2 3.49Å; P276-F402 VanDerWaalsContact CG-CE2 3.49Å; P276-F402 HydrophobicContact CG-CZ 3.62Å; V397-F402 HydrophobicContact CG1-CB 4Å; V397-F402 HydrophobicContact CG1-CD2 3.74Å; V397-F402 HydrophobicContact CG1-CG 4.22Å
403L45.3Very low67.2Low166 Ų16676.9 Ų76.987%0.86942%0.418SS*.THydrogen-bonded Turntrans-92.6-1.3176.7-67.9172.2000113.4L401L401-L403 PolarHBondContact O-N 3.25Å
404A40.8Very low64.5Low69 Ų6983.3 Ų83.357%0.5745%0.453SS*.  trans-98.30.8-172.400000114.4L401L401-A404 PolarHBondContact O-N 2.67Å
405N40.3Very low61.4Low205 Ų20590.9 Ų90.9100%1.09649%0.494SS*.  trans-1310177.5-73.5-45.5000112.1

Retrieved 405 of 405 residues in 114.4 ms (Link to these results)

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