A0A5K4FDI9_SCHMA Loading...

PARG_cat domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FDI9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 878 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
1M72.2Confident73.9Confident47 Ų4726.4 Ų26.423%0.23215%0.146CC..  0124.90176.717568.300108.4L3 I76 L174 Y257 I262 W272M1-L3 HydrophobicContact CE-CD1 4.12Å; M1-L3 HydrophobicContact SD-CD1 4.34Å; M1-I76 HydrophobicContact CE-CD1 4.16Å; M1-I76 PolarHBondContact N-O 3.37Å; M1-I76 PolarHBondContact O-N 3.42Å; M1-L174 HydrophobicContact CE-CD1 3.81Å; M1-L174 HydrophobicContact CE-CD2 4.37Å; M1-L174 HydrophobicContact CE-CG 4.47Å; M1-Y257 PolarHBondContact N-OH 3.35Å; M1-I262 HydrophobicContact CE-CG2 3.65Å; M1-I262 HydrophobicContact SD-CG2 4.2Å; M1-W272 HydrophobicContact SD-CH2 4.36Å; M1-W272 HydrophobicContact SD-CZ3 3.94Å
2L75.7Confident74.5Confident103 Ų10324.2 Ų24.254%0.53913%0.134SC..EExtended strand (participates in β ladder)trans-91.9124.4171.9-177.366.7000108.6G73 L75L2-G73 WeakPolarHBondContact CD1-O 3.43Å; L2-L75 HydrophobicContact CB-CD1 4.36Å; L2-L75 HydrophobicContact CD1-CB 4.22Å
3L75.5Confident74.3Confident3 Ų322.5 Ų22.52%0.01613%0.126CC..EExtended strand (participates in β ladder)trans-108.2115177.6-148.378.5000109M1 L7 V8 I11 G73 L74 L174 W272M1-L3 HydrophobicContact CE-CD1 4.12Å; M1-L3 HydrophobicContact SD-CD1 4.34Å; L3-L7 HydrophobicContact CD1-CD2 3.89Å; L3-L7 HydrophobicContact CG-CD2 4.01Å; L3-V8 HydrophobicContact CB-CG2 4.07Å; L3-V8 HydrophobicContact CD2-CG2 3.77Å; L3-V8 HydrophobicContact CG-CG2 4.21Å; L3-I11 HydrophobicContact CD2-CD1 4.05Å; L3-G73 CarbonylContact O-C 3.59Å; L3-G73 WeakPolarHBondContact O-CA 3.36Å; L3-L74 HydrophobicContact CB-CB 4.44Å; L3-L74 PolarHBondContact N-O 2.8Å; L3-L74 PolarHBondContact O-N 2.82Å; L3-L174 HydrophobicContact CD1-CD1 4.36Å; L3-L174 HydrophobicContact CD2-CD1 3.78Å; L3-W272 HydrophobicContact CD1-CH2 4.09Å; L3-W272 HydrophobicContact CD1-CZ3 3.92Å
4P75.5Confident73.9Confident36 Ų3622.6 Ų22.623%0.23413%0.128CC..EExtended strand (participates in β ladder)trans-56.6141179.4-25.534.8000111.7D6 L7 V8P4-D6 VanDerWaalsContact C-N 3.27Å; P4-D6 PolarHBondContact O-N 2.97Å; P4-L7 WeakPolarHBondContact O-CA 3.48Å; P4-L7 VanDerWaalsContact O-CB 3.29Å; P4-L7 WeakPolarHBondContact O-CB 3.45Å; P4-L7 PolarHBondContact O-N 3.02Å; P4-V8 PolarHBondContact O-N 3.3Å; P4-V8 VanDerWaalsContact O-N 3.09Å
5Y77.1Confident74.2Confident6 Ų621.3 Ų21.32%0.02412%0.121CC..Hα-helixtrans-59.8-35.1-175-74.1-53.7000113.6L7 V8 S9 L68 K72 L74 H188 R190 W214Y5-L7 PolarHBondContact O-N 3.22Å; Y5-V8 WeakPolarHBondContact O-CB 3.15Å; Y5-V8 PolarHBondContact O-N 3.11Å; Y5-S9 WeakPolarHBondContact O-CB 3.27Å; Y5-S9 PolarHBondContact O-N 3.23Å; Y5-S9 PolarHBondContact O-OG 2.85Å; Y5-S9 VanDerWaalsContact O-OG 3.14Å; Y5-L68 HydrophobicContact CD2-CD2 4.09Å; Y5-L68 HydrophobicContact CG-CD2 4.35Å; Y5-K72 HydrophobicContact CD2-CB 4.12Å; Y5-K72 VanDerWaalsContact CD2-O 3.3Å; Y5-K72 WeakPolarHBondContact CD2-O 3.48Å; Y5-K72 HydrophobicContact CE2-CB 3.87Å; Y5-K72 PolarHBondContact N-O 3.44Å; Y5-L74 HydrophobicContact CE1-CB 4.43Å; Y5-H188 WeakPolarHBondContact OH-CB 3.42Å; Y5-H188 PolarHBondContact OH-O 3.32Å; Y5-R190 VanDerWaalsContact CD1-NE 3.35Å; Y5-R190 HydrophobicContact CE1-CG 3.95Å; Y5-W214 AromaticContact CE2-CZ2 3.95Å; Y5-W214 HydrophobicContact CE2-CZ2 3.95Å
6D69.4Low74.2Confident31 Ų3120.1 Ų20.117%0.16611%0.114CC..Hα-helixtrans-55.4-38.4174.2-38.7-29.8000111.3P4 S10 Y70P4-D6 VanDerWaalsContact C-N 3.27Å; P4-D6 PolarHBondContact O-N 2.97Å; D6-S10 VanDerWaalsContact O-CB 3.25Å; D6-S10 WeakPolarHBondContact O-CB 3.38Å; D6-S10 PolarHBondContact O-N 2.79Å; D6-S10 PolarHBondContact O-OG 2.94Å; D6-Y70 VanDerWaalsContact OD2-CD1 3.28Å; D6-Y70 WeakPolarHBondContact OD2-CD1 3.3Å
7L70.5Confident73.7Confident20 Ų2020.2 Ų20.211%0.10511%0.114CC..Hα-helixtrans-75.9-41.5-179.9-165.266.4000111.5L3 P4 Y5 S10 I11 W271 L275L3-L7 HydrophobicContact CD1-CD2 3.89Å; L3-L7 HydrophobicContact CG-CD2 4.01Å; P4-L7 WeakPolarHBondContact O-CA 3.48Å; P4-L7 VanDerWaalsContact O-CB 3.29Å; P4-L7 WeakPolarHBondContact O-CB 3.45Å; P4-L7 PolarHBondContact O-N 3.02Å; Y5-L7 PolarHBondContact O-N 3.22Å; L7-S10 PolarHBondContact O-N 2.96Å; L7-I11 HydrophobicContact CG-CD1 4.18Å; L7-I11 WeakPolarHBondContact O-CB 3.25Å; L7-I11 VanDerWaalsContact O-CG1 3.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.43Å; L7-I11 PolarHBondContact O-N 2.8Å; L7-W271 HydrophobicContact CD1-CH2 3.71Å; L7-W271 HydrophobicContact CD1-CZ2 3.68Å; L7-W271 HydrophobicContact CD2-CH2 4.02Å; L7-W271 HydrophobicContact CD2-CZ3 4.45Å; L7-W271 HydrophobicContact CG-CH2 4.16Å; L7-L275 HydrophobicContact CD1-CD1 4.23Å; L7-L275 HydrophobicContact CD1-CD2 4.47Å; L7-L275 HydrophobicContact CD2-CD1 3.49Å; L7-L275 VanDerWaalsContact CD2-CD1 3.49Å; L7-L275 HydrophobicContact CD2-CD2 4.12Å; L7-L275 HydrophobicContact CD2-CG 4.42Å
8V78.4Confident73.5Confident0 Ų021.7 Ų21.70%013%0.126CC..Hα-helixtrans-55.2-52.8172.3179.60000109.6L3 P4 Y5 S10 I11 I12 L74 D167 A170L3-V8 HydrophobicContact CB-CG2 4.07Å; L3-V8 HydrophobicContact CD2-CG2 3.77Å; L3-V8 HydrophobicContact CG-CG2 4.21Å; P4-V8 PolarHBondContact O-N 3.3Å; P4-V8 VanDerWaalsContact O-N 3.09Å; Y5-V8 WeakPolarHBondContact O-CB 3.15Å; Y5-V8 PolarHBondContact O-N 3.11Å; V8-S10 PolarHBondContact O-N 2.98Å; V8-I11 PolarHBondContact O-N 3.24Å; V8-I12 HydrophobicContact CG1-CD1 3.81Å; V8-I12 VanDerWaalsContact O-CD1 3.28Å; V8-I12 WeakPolarHBondContact O-CD1 3.05Å; V8-I12 VanDerWaalsContact O-CG1 3.25Å; V8-I12 WeakPolarHBondContact O-CG1 3.26Å; V8-I12 PolarHBondContact O-N 2.84Å; V8-I12 VanDerWaalsContact O-N 3.11Å; V8-L74 HydrophobicContact CG1-CD2 4.26Å; V8-L74 HydrophobicContact CG2-CB 3.8Å; V8-L74 HydrophobicContact CG2-CD2 4.06Å; V8-D167 HydrophobicContact CG1-CB 4.22Å; V8-D167 WeakPolarHBondContact CG1-OD1 3.28Å; V8-A170 HydrophobicContact CB-CB 4.38Å; V8-A170 HydrophobicContact CG1-CB 3.76Å
9S76.2Confident72.8Confident5 Ų525.7 Ų25.74%0.03515%0.146CC..Hα-helixtrans-63.6-38.4178.3-59.10000112.8Y5 I12 A13 Y59 C63 R190Y5-S9 WeakPolarHBondContact O-CB 3.27Å; Y5-S9 PolarHBondContact O-N 3.23Å; Y5-S9 PolarHBondContact O-OG 2.85Å; Y5-S9 VanDerWaalsContact O-OG 3.14Å; S9-I12 PolarHBondContact O-N 3.27Å; S9-A13 WeakPolarHBondContact O-CB 3.32Å; S9-A13 PolarHBondContact O-N 3.08Å; S9-Y59 PolarHBondContact OG-OH 3.19Å; S9-C63 PolarHBondContact OG-SG 3.29Å; S9-R190 PolarHBondContact OG-NH2 3Å
10S69.8Low72.3Confident32 Ų3225.2 Ų25.222%0.22414%0.143CC..Hα-helixtrans-68-38.9177-62.60000113.1D6 L7 V8 S14D6-S10 VanDerWaalsContact O-CB 3.25Å; D6-S10 WeakPolarHBondContact O-CB 3.38Å; D6-S10 PolarHBondContact O-N 2.79Å; D6-S10 PolarHBondContact O-OG 2.94Å; L7-S10 PolarHBondContact O-N 2.96Å; V8-S10 PolarHBondContact O-N 2.98Å; S10-S14 WeakPolarHBondContact O-CB 3.4Å; S10-S14 PolarHBondContact O-N 3.48Å; S10-S14 PolarHBondContact O-OG 2.93Å
11I73Confident71.4Confident7 Ų727.1 Ų27.14%0.03616%0.156CC..Hα-helixtrans-63-44.2173.9-71164.9000110.1L3 L7 V8 S14 S15 L20 A170 P173L3-I11 HydrophobicContact CD2-CD1 4.05Å; L7-I11 HydrophobicContact CG-CD1 4.18Å; L7-I11 WeakPolarHBondContact O-CB 3.25Å; L7-I11 VanDerWaalsContact O-CG1 3.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.43Å; L7-I11 PolarHBondContact O-N 2.8Å; V8-I11 PolarHBondContact O-N 3.24Å; I11-S14 PolarHBondContact O-N 2.98Å; I11-S15 WeakPolarHBondContact O-CB 3.44Å; I11-S15 PolarHBondContact O-N 3.37Å; I11-L20 HydrophobicContact CG2-CD1 4.31Å; I11-A170 HydrophobicContact CB-CB 4.38Å; I11-A170 HydrophobicContact CG2-CB 4.14Å; I11-P173 HydrophobicContact CG2-CG 3.79Å
12I80.7Confident70.6Confident0 Ų027.7 Ų27.70%016%0.162CC..Hα-helixtrans-67.5-43.5-179.8-65.1159000111.2V8 S9 S14 S15 L16 V56 Y59 L60 P166 I169 A170V8-I12 HydrophobicContact CG1-CD1 3.81Å; V8-I12 VanDerWaalsContact O-CD1 3.28Å; V8-I12 WeakPolarHBondContact O-CD1 3.05Å; V8-I12 VanDerWaalsContact O-CG1 3.25Å; V8-I12 WeakPolarHBondContact O-CG1 3.26Å; V8-I12 PolarHBondContact O-N 2.84Å; V8-I12 VanDerWaalsContact O-N 3.11Å; S9-I12 PolarHBondContact O-N 3.27Å; I12-S14 VanDerWaalsContact C-N 3.31Å; I12-S14 PolarHBondContact O-N 3.03Å; I12-S15 PolarHBondContact O-N 2.98Å; I12-L16 WeakPolarHBondContact O-CB 3.33Å; I12-L16 PolarHBondContact O-N 3.16Å; I12-V56 HydrophobicContact CG2-CG1 3.99Å; I12-Y59 HydrophobicContact CB-CE1 4.31Å; I12-Y59 HydrophobicContact CD1-CE1 3.56Å; I12-Y59 VanDerWaalsContact CD1-OH 3.29Å; I12-Y59 WeakPolarHBondContact CD1-OH 3.16Å; I12-Y59 HydrophobicContact CG2-CD1 4.46Å; I12-Y59 HydrophobicContact CG2-CE1 4.04Å; I12-L60 HydrophobicContact CG2-CD2 4.29Å; I12-P166 WeakPolarHBondContact CD1-O 3.19Å; I12-I169 HydrophobicContact CG1-CB 4.16Å; I12-I169 HydrophobicContact CG1-CG2 4.47Å; I12-A170 HydrophobicContact CD1-CB 4.26Å; I12-A170 HydrophobicContact CG1-CB 4.2Å
13A71.9Confident69.1Low3 Ų326.7 Ų26.73%0.02516%0.157CC..Hα-helixtrans-61.2-39.9173.600000111.9S9 L16 L17 L60 V320S9-A13 WeakPolarHBondContact O-CB 3.32Å; S9-A13 PolarHBondContact O-N 3.08Å; A13-L16 PolarHBondContact O-N 3.35Å; A13-L17 WeakPolarHBondContact O-CB 3.48Å; A13-L17 WeakPolarHBondContact O-CG 3.35Å; A13-L17 PolarHBondContact O-N 3.22Å; A13-L60 HydrophobicContact CB-CD1 4.48Å; A13-L60 HydrophobicContact CB-CD2 4.36Å; A13-V320 HydrophobicContact CB-CG2 4.31Å
14S69.4Low67.4Low23 Ų2331.9 Ų31.916%0.16119%0.192CC..Hα-helixtrans-66.5-40176-57.50000112.3S10 I11 I12 L17 C18 L19S10-S14 WeakPolarHBondContact O-CB 3.4Å; S10-S14 PolarHBondContact O-N 3.48Å; S10-S14 PolarHBondContact O-OG 2.93Å; I11-S14 PolarHBondContact O-N 2.98Å; I12-S14 VanDerWaalsContact C-N 3.31Å; I12-S14 PolarHBondContact O-N 3.03Å; S14-L17 PolarHBondContact O-N 2.72Å; S14-C18 PolarHBondContact O-N 3Å; S14-L19 PolarHBondContact O-N 3.2Å
15S77.4Confident65.5Low3 Ų337.9 Ų37.92%0.02122%0.221CC..Hα-helixtrans-63.6-42.4173.9178.40000112I11 I12 C18 V33 N34 F35I11-S15 WeakPolarHBondContact O-CB 3.44Å; I11-S15 PolarHBondContact O-N 3.37Å; I12-S15 PolarHBondContact O-N 2.98Å; S15-C18 PolarHBondContact O-N 2.86Å; S15-C18 VanDerWaalsContact O-N 3.16Å; S15-V33 WeakPolarHBondContact CB-O 3.35Å; S15-V33 PolarHBondContact OG-O 3.47Å; S15-N34 WeakPolarHBondContact O-CA 3.25Å; S15-F35 PolarHBondContact O-N 3.46Å; S15-F35 WeakPolarHBondContact OG-CD2 3.41Å
16L74.7Confident63.9Low2 Ų238.7 Ų38.71%0.0123%0.227CC..Hα-helixtrans-68.8-31.9178.9-175.365.7000112.8I12 A13 C18 F35 F39 L53 V56 L60 V320 V324I12-L16 WeakPolarHBondContact O-CB 3.33Å; I12-L16 PolarHBondContact O-N 3.16Å; A13-L16 PolarHBondContact O-N 3.35Å; L16-C18 VanDerWaalsContact C-N 3.28Å; L16-F35 HydrophobicContact CB-CD2 4.29Å; L16-F35 HydrophobicContact CD1-CB 4.36Å; L16-F35 HydrophobicContact CD1-CD1 3.99Å; L16-F35 HydrophobicContact CD1-CD2 4.18Å; L16-F35 HydrophobicContact CD1-CE1 4.32Å; L16-F35 HydrophobicContact CD1-CE2 4.49Å; L16-F35 HydrophobicContact CD1-CG 3.92Å; L16-F39 HydrophobicContact CD1-CZ 3.87Å; L16-F39 VanDerWaalsContact O-CE2 3.24Å; L16-F39 WeakPolarHBondContact O-CE2 3.42Å; L16-F39 WeakPolarHBondContact O-CZ 3.28Å; L16-L53 HydrophobicContact CD1-CD2 3.72Å; L16-V56 HydrophobicContact CD2-CG1 4.36Å; L16-L60 HydrophobicContact CD2-CD1 3.58Å; L16-V320 HydrophobicContact CD2-CG1 4Å; L16-V324 HydrophobicContact CD2-CG2 4.34Å
17L66Low62.4Low23 Ų2343.4 Ų43.412%0.1225%0.253CS..THydrogen-bonded Turntrans-86.64.3173-66.1177000113.4A13 S14 L19 M316 F319 V320 F323A13-L17 WeakPolarHBondContact O-CB 3.48Å; A13-L17 WeakPolarHBondContact O-CG 3.35Å; A13-L17 PolarHBondContact O-N 3.22Å; S14-L17 PolarHBondContact O-N 2.72Å; L17-L19 HydrophobicContact CB-CD1 3.77Å; L17-L19 HydrophobicContact CB-CG 3.72Å; L17-L19 HydrophobicContact CD1-CD1 3.93Å; L17-L19 PolarHBondContact O-N 2.7Å; L17-M316 HydrophobicContact CD1-CE 3.97Å; L17-F319 HydrophobicContact CD1-CD1 3.79Å; L17-F319 HydrophobicContact CD1-CE1 3.91Å; L17-F319 HydrophobicContact CD2-CD1 4.18Å; L17-F319 HydrophobicContact CD2-CE1 3.78Å; L17-F319 HydrophobicContact CG-CE1 4.48Å; L17-V320 HydrophobicContact CD1-CG2 3.73Å; L17-V320 HydrophobicContact CD2-CG2 4.05Å; L17-V320 HydrophobicContact CG-CG2 3.88Å; L17-F323 HydrophobicContact CD2-CD1 3.67Å; L17-F323 HydrophobicContact CD2-CE1 4Å; L17-F323 HydrophobicContact CD2-CG 4.26Å
18C69.1Low61.2Low47 Ų4749.8 Ų49.832%0.31828%0.282SS..THydrogen-bonded Turntrans55.932-175.9-57.50000115S14 S15 L16 N34 T36S14-C18 PolarHBondContact O-N 3Å; S15-C18 PolarHBondContact O-N 2.86Å; S15-C18 VanDerWaalsContact O-N 3.16Å; L16-C18 VanDerWaalsContact C-N 3.28Å; C18-N34 WeakPolarHBondContact CA-OD1 3.35Å; C18-N34 HydrophobicContact CB-CB 4.01Å; C18-T36 PolarHBondContact SG-OG1 3.2Å
19L60.4Low59.7Low98 Ų9855.6 Ų55.651%0.51330%0.304SS..  trans-92.9-10.8-176.1-61.5177.1000114.2S14 L17 M316S14-L19 PolarHBondContact O-N 3.2Å; L17-L19 HydrophobicContact CB-CD1 3.77Å; L17-L19 HydrophobicContact CB-CG 3.72Å; L17-L19 HydrophobicContact CD1-CD1 3.93Å; L17-L19 PolarHBondContact O-N 2.7Å; L19-M316 HydrophobicContact CD1-CE 4.16Å
20L62.6Low58.5Low14 Ų1456.5 Ų56.57%0.07331%0.308CS..SBendtrans-71.5134178.9-64.6174.9000109.9I11 V22 V33 N34 F267I11-L20 HydrophobicContact CG2-CD1 4.31Å; L20-V22 PolarHBondContact O-N 3Å; L20-V33 HydrophobicContact CB-CG1 4.17Å; L20-V33 HydrophobicContact CD1-CG1 3.64Å; L20-N34 WeakPolarHBondContact CB-OD1 3.47Å; L20-N34 PolarHBondContact N-OD1 2.98Å; L20-N34 PolarHBondContact O-ND2 3.2Å; L20-F267 HydrophobicContact CD2-CZ 4.08Å
21P53.9Low57.6Low67 Ų6757.4 Ų57.444%0.43531%0.31SS..  trans-72.898.6-169.428.5-35.3000111.7N23 L266P21-N23 PolarHBondContact O-N 3.32Å; P21-L266 HydrophobicContact CG-CD2 4.38Å; P21-L266 WeakPolarHBondContact O-CD2 3.19Å
22V54.7Low57.3Low59 Ų5958.3 Ų58.336%0.35832%0.316SS..  trans-64.9117.9166.4176.80000108.3L20 P24 D31 N34L20-V22 PolarHBondContact O-N 3Å; V22-P24 WeakPolarHBondContact O-CD 3.29Å; V22-D31 HydrophobicContact CG1-CB 4.25Å; V22-D31 WeakPolarHBondContact CG1-OD1 3.33Å; V22-N34 WeakPolarHBondContact CG2-ND2 3.26Å
23N45.8Very low57Low81 Ų8158.6 Ų58.643%0.43332%0.317SS..  trans-94.5106.6176.4176.9-1000109P21 L25 S26P21-N23 PolarHBondContact O-N 3.32Å; N23-L25 PolarHBondContact O-N 3.2Å; N23-L25 PolarHBondContact OD1-N 3.11Å; N23-L25 VanDerWaalsContact OD1-N 3.08Å; N23-S26 WeakPolarHBondContact O-CB 3.25Å; N23-S26 PolarHBondContact O-N 3.35Å; N23-S26 PolarHBondContact O-OG 3.02Å
24P39.8Very low57Low113 Ų11358.7 Ų58.773%0.73432%0.317SS*.THydrogen-bonded Turntrans-70.6-0.9-17531.4-37.9000114.1V22V22-P24 WeakPolarHBondContact O-CD 3.29Å
25L35.2Very low57.3Low161 Ų16157.6 Ų57.684%0.84331%0.309SS*.THydrogen-bonded Turntrans-105.6-4.5170.1-64.3174.4000112.7N23N23-L25 PolarHBondContact O-N 3.2Å; N23-L25 PolarHBondContact OD1-N 3.11Å; N23-L25 VanDerWaalsContact OD1-N 3.08Å
26S42.6Very low57Low24 Ų2459.3 Ų59.317%0.16832%0.32CS..SBendtrans-81.8142.4166.673.70000109.3N23 Q28N23-S26 WeakPolarHBondContact O-CB 3.25Å; N23-S26 PolarHBondContact O-N 3.35Å; N23-S26 PolarHBondContact O-OG 3.02Å; S26-Q28 PolarHBondContact O-N 3.05Å
27N38.4Very low56.8Low130 Ų13064.4 Ų64.470%0.69534%0.34SS*.  trans-55.2135.5-179.3-64.9-35.7000110.8W29 L30N27-W29 PolarHBondContact O-N 3.47Å; N27-L30 PolarHBondContact O-N 3.07Å
28Q44.6Very low57.1Low153 Ų15363.3 Ų63.372%0.71533%0.334SS*.G310 helixtrans-28.8-19.9-174.1-65169.9-46.300119.8S26 L30 D31S26-Q28 PolarHBondContact O-N 3.05Å; Q28-L30 VanDerWaalsContact C-N 3.29Å; Q28-L30 PolarHBondContact O-N 3.15Å; Q28-D31 WeakPolarHBondContact CA-OD2 3.21Å; Q28-D31 PolarHBondContact O-N 2.78Å
29W48.1Very low57Low122 Ų12263.5 Ų63.546%0.46233%0.33SS..G310 helixtrans-64.7-28.4-178-42.495.2000113.7N27 R145N27-W29 PolarHBondContact O-N 3.47Å; W29-R145 PolarHBondContact O-NH2 3.38Å
30L50.1Low57.2Low24 Ų2461.7 Ų61.713%0.12632%0.32CS..G310 helixtrans-90.2-4.8-179.3-75.4177.1000114.5N27 Q28 V33 P176 L266N27-L30 PolarHBondContact O-N 3.07Å; Q28-L30 VanDerWaalsContact C-N 3.29Å; Q28-L30 PolarHBondContact O-N 3.15Å; L30-V33 HydrophobicContact CD2-CG2 3.94Å; L30-V33 VanDerWaalsContact O-CG2 3.29Å; L30-V33 WeakPolarHBondContact O-CG2 3.21Å; L30-P176 HydrophobicContact CD2-CB 4.26Å; L30-P176 HydrophobicContact CD2-CG 4.06Å; L30-L266 HydrophobicContact CD2-CD1 4.04Å; L30-L266 HydrophobicContact CD2-CG 4.47Å
31D51.8Low57.3Low51 Ų5163 Ų6327%0.27333%0.327SS..G310 helixtrans-69.9-35.7-178.3-62.4-28.1000111.7V22 Q28 V33V22-D31 HydrophobicContact CG1-CB 4.25Å; V22-D31 WeakPolarHBondContact CG1-OD1 3.33Å; Q28-D31 WeakPolarHBondContact CA-OD2 3.21Å; Q28-D31 PolarHBondContact O-N 2.78Å; D31-V33 VanDerWaalsContact C-N 3.29Å; D31-V33 PolarHBondContact O-N 3.02Å
32D65.2Low57.7Low27 Ų2761 Ų6114%0.14431%0.313CS..G310 helixtrans-8938.9178.2-47.9-37.8000113.4N34 Y37 R145 L151D32-N34 VanDerWaalsContact C-N 3.34Å; D32-Y37 WeakPolarHBondContact OD1-CD2 3.41Å; D32-Y37 WeakPolarHBondContact OD1-CE2 3.23Å; D32-R145 IonicContact OD2-CZ 2.68Å; D32-R145 IonicContact OD2-NH1 2.58Å; D32-R145 PolarHBondContact OD2-NH1 2.87Å; D32-R145 IonicContact OD2-NH2 3.23Å; D32-R145 PolarHBondContact OD2-NH2 2.78Å; D32-L151 HydrophobicContact CB-CB 4.31Å; D32-L151 VanDerWaalsContact O-CB 3.26Å; D32-L151 WeakPolarHBondContact O-CB 3.49Å; D32-L151 WeakPolarHBondContact O-CD1 3.47Å
33V74.4Confident57.6Low5 Ų561.7 Ų61.73%0.0331%0.314CS..G310 helixtrans-86-11.2173.2170.90000112S15 L20 L30 D31 P173 L266S15-V33 WeakPolarHBondContact CB-O 3.35Å; S15-V33 PolarHBondContact OG-O 3.47Å; L20-V33 HydrophobicContact CB-CG1 4.17Å; L20-V33 HydrophobicContact CD1-CG1 3.64Å; L30-V33 HydrophobicContact CD2-CG2 3.94Å; L30-V33 VanDerWaalsContact O-CG2 3.29Å; L30-V33 WeakPolarHBondContact O-CG2 3.21Å; D31-V33 VanDerWaalsContact C-N 3.29Å; D31-V33 PolarHBondContact O-N 3.02Å; V33-P173 HydrophobicContact CG1-CB 3.97Å; V33-P173 HydrophobicContact CG1-CG 4.49Å; V33-L266 HydrophobicContact CG1-CD1 4.44Å
34N73.7Confident58.1Low5 Ų561.9 Ų61.93%0.02732%0.315CS..SBendtrans-111.1158.8178.9-71.3-49.8000111.6S15 C18 L20 V22 D32 T36S15-N34 WeakPolarHBondContact O-CA 3.25Å; C18-N34 WeakPolarHBondContact CA-OD1 3.35Å; C18-N34 HydrophobicContact CB-CB 4.01Å; L20-N34 WeakPolarHBondContact CB-OD1 3.47Å; L20-N34 PolarHBondContact N-OD1 2.98Å; L20-N34 PolarHBondContact O-ND2 3.2Å; V22-N34 WeakPolarHBondContact CG2-ND2 3.26Å; D32-N34 VanDerWaalsContact C-N 3.34Å; N34-T36 PolarHBondContact O-N 3.49Å
35F75.2Confident58.3Low0 Ų061.9 Ų61.90%032%0.317CS..THydrogen-bonded Turntrans-72.812179.5-85.8-104.6000115.1S15 L16 Y37 V38 F39 L53 V56 L151 I169S15-F35 PolarHBondContact O-N 3.46Å; S15-F35 WeakPolarHBondContact OG-CD2 3.41Å; L16-F35 HydrophobicContact CB-CD2 4.29Å; L16-F35 HydrophobicContact CD1-CB 4.36Å; L16-F35 HydrophobicContact CD1-CD1 3.99Å; L16-F35 HydrophobicContact CD1-CD2 4.18Å; L16-F35 HydrophobicContact CD1-CE1 4.32Å; L16-F35 HydrophobicContact CD1-CE2 4.49Å; L16-F35 HydrophobicContact CD1-CG 3.92Å; F35-Y37 PolarHBondContact O-N 2.99Å; F35-V38 HydrophobicContact CB-CB 4.46Å; F35-V38 HydrophobicContact CD1-CB 3.92Å; F35-V38 HydrophobicContact CD1-CG1 4.04Å; F35-V38 HydrophobicContact CD1-CG2 3.87Å; F35-V38 HydrophobicContact CE1-CG2 4.43Å; F35-V38 WeakPolarHBondContact O-CB 3.49Å; F35-V38 PolarHBondContact O-N 2.74Å; F35-F39 HydrophobicContact CB-CD2 3.93Å; F35-F39 HydrophobicContact CB-CE2 3.51Å; F35-F39 HydrophobicContact CB-CZ 4.23Å; F35-F39 WeakPolarHBondContact O-CD2 3.45Å; F35-F39 PolarHBondContact O-N 3.45Å; F35-L53 HydrophobicContact CD1-CD2 3.79Å; F35-L53 HydrophobicContact CE1-CD2 4.05Å; F35-V56 HydrophobicContact CE1-CG2 4.39Å; F35-V56 HydrophobicContact CZ-CG1 4.25Å; F35-V56 HydrophobicContact CZ-CG2 4.03Å; F35-L151 HydrophobicContact CD1-CD2 4.05Å; F35-L151 HydrophobicContact CD2-CD2 3.5Å; F35-L151 VanDerWaalsContact CD2-CD2 3.5Å; F35-L151 HydrophobicContact CE1-CD2 4Å; F35-L151 HydrophobicContact CE2-CD2 3.45Å; F35-L151 VanDerWaalsContact CE2-CD2 3.45Å; F35-L151 HydrophobicContact CG-CD2 3.81Å; F35-L151 HydrophobicContact CZ-CD2 3.71Å; F35-I169 HydrophobicContact CE2-CG2 4.39Å; F35-I169 HydrophobicContact CZ-CD1 4.1Å
36T71Confident59.1Low39 Ų3958.8 Ų58.824%0.23930%0.299CS..Hα-helixtrans-50.4-51.5-172.2-47.50000113.5C18 N34 F39 L40C18-T36 PolarHBondContact SG-OG1 3.2Å; N34-T36 PolarHBondContact O-N 3.49Å; T36-F39 PolarHBondContact O-N 3.04Å; T36-L40 HydrophobicContact CG2-CD1 4.45Å; T36-L40 WeakPolarHBondContact O-CG 3.48Å; T36-L40 PolarHBondContact O-N 3.15Å; T36-L40 VanDerWaalsContact O-N 3.16Å
37Y71.1Confident59.8Low110 Ų11062.3 Ų62.343%0.43132%0.323SS..Hα-helixtrans-76.8-24.4-179.2-59.7-78.9000113.3D32 F35 L40 N41 L151D32-Y37 WeakPolarHBondContact OD1-CD2 3.41Å; D32-Y37 WeakPolarHBondContact OD1-CE2 3.23Å; F35-Y37 PolarHBondContact O-N 2.99Å; Y37-L40 HydrophobicContact CD1-CD1 3.94Å; Y37-L40 HydrophobicContact CE1-CD1 4.38Å; Y37-L40 PolarHBondContact O-N 3.14Å; Y37-N41 WeakPolarHBondContact O-CB 3.2Å; Y37-N41 PolarHBondContact O-N 2.79Å; Y37-L151 WeakPolarHBondContact CB-O 3.5Å
38V71Confident61.4Low0 Ų057.1 Ų57.10%030%0.297CS..Hα-helixtrans-61-49.4169.6-179.20000109.5F35 L40 N41 I42 E49 L53 L150F35-V38 HydrophobicContact CB-CB 4.46Å; F35-V38 HydrophobicContact CD1-CB 3.92Å; F35-V38 HydrophobicContact CD1-CG1 4.04Å; F35-V38 HydrophobicContact CD1-CG2 3.87Å; F35-V38 HydrophobicContact CE1-CG2 4.43Å; F35-V38 WeakPolarHBondContact O-CB 3.49Å; F35-V38 PolarHBondContact O-N 2.74Å; V38-L40 PolarHBondContact O-N 3.48Å; V38-N41 PolarHBondContact O-N 3.43Å; V38-I42 WeakPolarHBondContact O-CG1 3.31Å; V38-I42 PolarHBondContact O-N 3.04Å; V38-E49 HydrophobicContact CG1-CB 4.21Å; V38-L53 HydrophobicContact CG1-CD1 4.09Å; V38-L53 HydrophobicContact CG1-CD2 4.21Å; V38-L53 HydrophobicContact CG1-CG 3.99Å; V38-L150 VanDerWaalsContact CG2-O 3.24Å; V38-L150 WeakPolarHBondContact CG2-O 3.41Å
39F67.7Low62.6Low51 Ų5149.8 Ų49.822%0.22426%0.263CS..Hα-helixtrans-61.7-43177.7-67.8-63.2000112.8L16 F35 T36 N41 I42 L53L16-F39 HydrophobicContact CD1-CZ 3.87Å; L16-F39 VanDerWaalsContact O-CE2 3.24Å; L16-F39 WeakPolarHBondContact O-CE2 3.42Å; L16-F39 WeakPolarHBondContact O-CZ 3.28Å; F35-F39 HydrophobicContact CB-CD2 3.93Å; F35-F39 HydrophobicContact CB-CE2 3.51Å; F35-F39 HydrophobicContact CB-CZ 4.23Å; F35-F39 WeakPolarHBondContact O-CD2 3.45Å; F35-F39 PolarHBondContact O-N 3.45Å; T36-F39 PolarHBondContact O-N 3.04Å; F39-N41 VanDerWaalsContact C-N 3.31Å; F39-N41 PolarHBondContact O-N 3.24Å; F39-I42 HydrophobicContact CD1-CD1 3.91Å; F39-I42 PolarHBondContact O-N 2.79Å; F39-L53 HydrophobicContact CD1-CD1 4.44Å; F39-L53 HydrophobicContact CE1-CD1 4.32Å; F39-L53 HydrophobicContact CE1-CD2 4.16Å; F39-L53 HydrophobicContact CZ-CD2 4.41Å
40L64.2Low63.6Low59 Ų5944.7 Ų44.731%0.30925%0.246SC..Hα-helixtrans-60.2-39.8175.2-69.7168.7000112T36 Y37 V38 I42 I460T36-L40 HydrophobicContact CG2-CD1 4.45Å; T36-L40 WeakPolarHBondContact O-CG 3.48Å; T36-L40 PolarHBondContact O-N 3.15Å; T36-L40 VanDerWaalsContact O-N 3.16Å; Y37-L40 HydrophobicContact CD1-CD1 3.94Å; Y37-L40 HydrophobicContact CE1-CD1 4.38Å; Y37-L40 PolarHBondContact O-N 3.14Å; V38-L40 PolarHBondContact O-N 3.48Å; L40-I42 PolarHBondContact O-N 2.78Å; L40-I460 HydrophobicContact CD2-CD1 3.87Å
41N64.6Low64.8Low42 Ų4246.6 Ų46.623%0.22526%0.256CS..Hα-helixtrans-80.6-9.4-177.7-77.9-4.8000115.2Y37 V38 F39 L43 N44 E49 G153Y37-N41 WeakPolarHBondContact O-CB 3.2Å; Y37-N41 PolarHBondContact O-N 2.79Å; V38-N41 PolarHBondContact O-N 3.43Å; F39-N41 VanDerWaalsContact C-N 3.31Å; F39-N41 PolarHBondContact O-N 3.24Å; N41-L43 PolarHBondContact O-N 3.22Å; N41-N44 PolarHBondContact O-N 3.25Å; N41-N44 VanDerWaalsContact O-N 3.09Å; N41-N44 PolarHBondContact OD1-ND2 3.5Å; N41-E49 HydrophobicContact CB-CG 4.14Å; N41-G153 PolarHBondContact ND2-O 3.42Å
42I62.9Low66.1Low26 Ų2644.6 Ų44.613%0.13325%0.245CC..THydrogen-bonded Turntrans-53.7-39.3171.8-62.1177.5000111.1V38 F39 L40 E49 L53 I331V38-I42 WeakPolarHBondContact O-CG1 3.31Å; V38-I42 PolarHBondContact O-N 3.04Å; F39-I42 HydrophobicContact CD1-CD1 3.91Å; F39-I42 PolarHBondContact O-N 2.79Å; L40-I42 PolarHBondContact O-N 2.78Å; I42-E49 HydrophobicContact CG1-CB 4.44Å; I42-L53 HydrophobicContact CD1-CD1 3.5Å; I42-L53 HydrophobicContact CG1-CD1 4.11Å; I42-I331 HydrophobicContact CD1-CD1 3.73Å; I42-I331 HydrophobicContact CG2-CD1 3.8Å; I42-I331 HydrophobicContact CG2-CG1 3.99Å
43L51.3Low66.6Low73 Ų7343.8 Ų43.838%0.38224%0.24SC..THydrogen-bonded Turntrans-78.8-23.5-177.8-58.7-179.6000112.7N41 S45 L452N41-L43 PolarHBondContact O-N 3.22Å; L43-S45 PolarHBondContact O-N 3.35Å; L43-L452 HydrophobicContact CD1-CD2 4.32Å; L43-L452 HydrophobicContact CD2-CD2 3.87Å
44N56.5Low66.6Low85 Ų8546.6 Ų46.646%0.45525%0.25SS..THydrogen-bonded Turntrans-81.623.6-174.4-71.8-32000114.2N41 Q46N41-N44 PolarHBondContact O-N 3.25Å; N41-N44 VanDerWaalsContact O-N 3.09Å; N41-N44 PolarHBondContact OD1-ND2 3.5Å; N44-Q46 PolarHBondContact O-N 2.95Å
45S44.9Very low67Low112 Ų11246.6 Ų46.678%0.78325%0.25SS*.THydrogen-bonded Turntrans63.91.3169.674.80000118.7L43 S47L43-S45 PolarHBondContact O-N 3.35Å; S45-S47 PolarHBondContact O-N 3.13Å
46Q52.3Low67.3Low96 Ų9646.6 Ų46.645%0.44925%0.25SS..  trans-71.1121.6169.8-67.4-160.312.500110.4N44 S48N44-Q46 PolarHBondContact O-N 2.95Å; Q46-S48 PolarHBondContact O-N 3.09Å; Q46-S48 VanDerWaalsContact O-N 3.13Å
47S57.7Low67.5Low98 Ų9845.3 Ų45.369%0.68524%0.242SC*.THydrogen-bonded Turntrans-72.4-4.7-169.8550000115.1S45 N51S45-S47 PolarHBondContact O-N 3.13Å; S47-N51 PolarHBondContact O-ND2 3.09Å
48S70.9Confident67.8Low21 Ų2140.6 Ų40.615%0.14723%0.225CC..THydrogen-bonded Turntrans-77.4-44.5-177.748.10000113.9Q46 N51 K52 I155Q46-S48 PolarHBondContact O-N 3.09Å; Q46-S48 VanDerWaalsContact O-N 3.13Å; S48-N51 WeakPolarHBondContact O-CA 3.46Å; S48-N51 WeakPolarHBondContact O-CB 3.23Å; S48-N51 PolarHBondContact O-N 3.07Å; S48-K52 PolarHBondContact O-N 3.38Å; S48-I155 WeakPolarHBondContact OG-CD1 3.28Å; S48-I155 WeakPolarHBondContact OG-CG1 2.99Å
49E70.3Confident68.3Low0 Ų040.6 Ų40.60%023%0.225CC..Hα-helixtrans-62.6-41.7-166.2-51.8-47.4100.600113.5V38 N41 I42 N51 K52 L53 G153V38-E49 HydrophobicContact CG1-CB 4.21Å; N41-E49 HydrophobicContact CB-CG 4.14Å; I42-E49 HydrophobicContact CG1-CB 4.44Å; E49-N51 PolarHBondContact O-N 3.26Å; E49-K52 PolarHBondContact O-N 2.7Å; E49-K52 WeakPolarHBondContact OE1-CE 3.24Å; E49-K52 IonicContact OE1-NZ 2.69Å; E49-K52 PolarHBondContact OE1-NZ 2.94Å; E49-K52 WeakPolarHBondContact OE2-CD 3.28Å; E49-K52 WeakPolarHBondContact OE2-CE 3.36Å; E49-K52 IonicContact OE2-NZ 3.84Å; E49-K52 PolarHBondContact OE2-NZ 3.33Å; E49-L53 PolarHBondContact O-N 2.9Å; E49-L53 VanDerWaalsContact O-N 3.09Å; E49-G153 WeakPolarHBondContact OE2-CA 3.34Å
50P69.8Low68.7Low15 Ų1538.4 Ų38.410%0.09722%0.216CC..Hα-helixtrans-61-32.9172.9-23.134.9000112.9R54P50-R54 WeakPolarHBondContact O-CB 3.4Å; P50-R54 WeakPolarHBondContact O-CD 3.1Å; P50-R54 WeakPolarHBondContact O-CG 3.49Å; P50-R54 PolarHBondContact O-N 3.29Å
51N74.7Confident69Low63 Ų6337.8 Ų37.834%0.33721%0.213SC..Hα-helixtrans-76.9-37.7178.9-72.2-26.6000112.3S47 S48 E49 L53 R54 C55 P195S47-N51 PolarHBondContact O-ND2 3.09Å; S48-N51 WeakPolarHBondContact O-CA 3.46Å; S48-N51 WeakPolarHBondContact O-CB 3.23Å; S48-N51 PolarHBondContact O-N 3.07Å; E49-N51 PolarHBondContact O-N 3.26Å; N51-L53 VanDerWaalsContact C-N 3.34Å; N51-L53 PolarHBondContact O-N 2.72Å; N51-R54 PolarHBondContact O-N 3.31Å; N51-R54 PolarHBondContact OD1-NH1 3.29Å; N51-C55 PolarHBondContact O-N 2.93Å; N51-C55 PolarHBondContact O-SG 3.22Å; N51-P195 HydrophobicContact CB-CB 4.08Å; N51-P195 HydrophobicContact CB-CG 3.88Å
52K78.3Confident69.6Low10 Ų1036.6 Ų36.64%0.04321%0.205CC..Hα-helixtrans-55.6-51.2170.5-67.5178.1-178170.80110.7S48 E49 R54 C55 V56 L150 G154S48-K52 PolarHBondContact O-N 3.38Å; E49-K52 PolarHBondContact O-N 2.7Å; E49-K52 WeakPolarHBondContact OE1-CE 3.24Å; E49-K52 IonicContact OE1-NZ 2.69Å; E49-K52 PolarHBondContact OE1-NZ 2.94Å; E49-K52 WeakPolarHBondContact OE2-CD 3.28Å; E49-K52 WeakPolarHBondContact OE2-CE 3.36Å; E49-K52 IonicContact OE2-NZ 3.84Å; E49-K52 PolarHBondContact OE2-NZ 3.33Å; K52-R54 PolarHBondContact O-N 2.83Å; K52-C55 PolarHBondContact O-N 2.98Å; K52-V56 WeakPolarHBondContact O-CG2 3.47Å; K52-V56 PolarHBondContact O-N 2.82Å; K52-L150 HydrophobicContact CD-CD1 4.22Å; K52-L150 PolarHBondContact NZ-O 3.21Å; K52-L150 VanDerWaalsContact NZ-O 3.14Å; K52-G154 WeakPolarHBondContact CE-O 3.04Å; K52-G154 PolarHBondContact NZ-O 3.38Å
53L76.1Confident70.1Confident9 Ų935.9 Ų35.95%0.04720%0.203CC..Hα-helixtrans-60.2-46.8-179.9-74.1167.5000111.2L16 F35 V38 F39 I42 E49 N51 C55 V56 I57L16-L53 HydrophobicContact CD1-CD2 3.72Å; F35-L53 HydrophobicContact CD1-CD2 3.79Å; F35-L53 HydrophobicContact CE1-CD2 4.05Å; V38-L53 HydrophobicContact CG1-CD1 4.09Å; V38-L53 HydrophobicContact CG1-CD2 4.21Å; V38-L53 HydrophobicContact CG1-CG 3.99Å; F39-L53 HydrophobicContact CD1-CD1 4.44Å; F39-L53 HydrophobicContact CE1-CD1 4.32Å; F39-L53 HydrophobicContact CE1-CD2 4.16Å; F39-L53 HydrophobicContact CZ-CD2 4.41Å; I42-L53 HydrophobicContact CD1-CD1 3.5Å; I42-L53 HydrophobicContact CG1-CD1 4.11Å; E49-L53 PolarHBondContact O-N 2.9Å; E49-L53 VanDerWaalsContact O-N 3.09Å; N51-L53 VanDerWaalsContact C-N 3.34Å; N51-L53 PolarHBondContact O-N 2.72Å; L53-C55 VanDerWaalsContact C-N 3.26Å; L53-C55 PolarHBondContact O-N 3.12Å; L53-V56 PolarHBondContact O-N 3.19Å; L53-V56 VanDerWaalsContact O-N 3.08Å; L53-I57 HydrophobicContact CB-CD1 4.22Å; L53-I57 WeakPolarHBondContact O-CB 3.38Å; L53-I57 WeakPolarHBondContact O-CD1 3.36Å; L53-I57 WeakPolarHBondContact O-CG1 3.39Å; L53-I57 PolarHBondContact O-N 3.16Å
54R75Confident70.8Confident65 Ų6537.1 Ų37.125%0.24520%0.202CC..Hα-helixtrans-53.3-40.1178-76.6163175.1163.9-4.2113.3P50 N51 K52 S58 P195 L198 M328P50-R54 WeakPolarHBondContact O-CB 3.4Å; P50-R54 WeakPolarHBondContact O-CD 3.1Å; P50-R54 WeakPolarHBondContact O-CG 3.49Å; P50-R54 PolarHBondContact O-N 3.29Å; N51-R54 PolarHBondContact O-N 3.31Å; N51-R54 PolarHBondContact OD1-NH1 3.29Å; K52-R54 PolarHBondContact O-N 2.83Å; R54-S58 WeakPolarHBondContact O-CB 3.47Å; R54-S58 PolarHBondContact O-N 3.39Å; R54-S58 PolarHBondContact O-OG 2.95Å; R54-P195 HydrophobicContact CB-CB 3.97Å; R54-L198 HydrophobicContact CB-CD1 3.85Å; R54-L198 HydrophobicContact CG-CD1 3.71Å; R54-M328 HydrophobicContact CG-SD 4.16Å
55C82.5Confident71.2Confident4 Ų435.2 Ų35.23%0.02720%0.195CC..Hα-helixtrans-67.8-45.4176.1-61.30000112.5N51 K52 L53 I57 S58 Y59 S163 F193 P195N51-C55 PolarHBondContact O-N 2.93Å; N51-C55 PolarHBondContact O-SG 3.22Å; K52-C55 PolarHBondContact O-N 2.98Å; L53-C55 VanDerWaalsContact C-N 3.26Å; L53-C55 PolarHBondContact O-N 3.12Å; C55-I57 VanDerWaalsContact C-N 3.34Å; C55-I57 PolarHBondContact O-N 3.42Å; C55-S58 PolarHBondContact O-N 3.07Å; C55-Y59 PolarHBondContact O-N 3.1Å; C55-S163 WeakPolarHBondContact CB-O 3.4Å; C55-F193 HydrophobicContact CB-CB 4.44Å; C55-F193 PolarHBondContact SG-O 3.45Å; C55-P195 WeakPolarHBondContact SG-CD 3.25Å; C55-P195 VanDerWaalsContact SG-CG 3.6Å; C55-P195 VanDerWaalsContact SG-N 3.45Å
56V81.5Confident72.2Confident0 Ų030.5 Ų30.50%016%0.162CC..Hα-helixtrans-62.9-40.3178.5177.20000111.5I12 L16 F35 K52 L53 Y59 L60 P166 I169I12-V56 HydrophobicContact CG2-CG1 3.99Å; L16-V56 HydrophobicContact CD2-CG1 4.36Å; F35-V56 HydrophobicContact CE1-CG2 4.39Å; F35-V56 HydrophobicContact CZ-CG1 4.25Å; F35-V56 HydrophobicContact CZ-CG2 4.03Å; K52-V56 WeakPolarHBondContact O-CG2 3.47Å; K52-V56 PolarHBondContact O-N 2.82Å; L53-V56 PolarHBondContact O-N 3.19Å; L53-V56 VanDerWaalsContact O-N 3.08Å; V56-Y59 WeakPolarHBondContact O-CB 3.33Å; V56-Y59 PolarHBondContact O-N 2.83Å; V56-L60 WeakPolarHBondContact O-CG 3.47Å; V56-L60 PolarHBondContact O-N 2.64Å; V56-P166 HydrophobicContact CG2-CB 4.41Å; V56-P166 HydrophobicContact CG2-CG 4.16Å; V56-I169 HydrophobicContact CG2-CD1 3.76Å
57I73.9Confident72.4Confident12 Ų1234.9 Ų34.96%0.06218%0.18CC..Hα-helixtrans-63.3-51175-64159.2000110.4L53 C55 Y59 L60 D61 L198 V324 M328L53-I57 HydrophobicContact CB-CD1 4.22Å; L53-I57 WeakPolarHBondContact O-CB 3.38Å; L53-I57 WeakPolarHBondContact O-CD1 3.36Å; L53-I57 WeakPolarHBondContact O-CG1 3.39Å; L53-I57 PolarHBondContact O-N 3.16Å; C55-I57 VanDerWaalsContact C-N 3.34Å; C55-I57 PolarHBondContact O-N 3.42Å; I57-Y59 PolarHBondContact O-N 2.93Å; I57-Y59 VanDerWaalsContact O-N 3.17Å; I57-L60 PolarHBondContact O-N 2.7Å; I57-D61 PolarHBondContact O-N 3.05Å; I57-L198 HydrophobicContact CB-CD1 4.09Å; I57-L198 HydrophobicContact CD1-CD1 4.31Å; I57-L198 HydrophobicContact CG2-CD1 3.93Å; I57-L198 HydrophobicContact CG2-CD2 3.92Å; I57-L198 HydrophobicContact CG2-CG 4.34Å; I57-V324 HydrophobicContact CB-CG1 4.29Å; I57-V324 HydrophobicContact CD1-CG1 3.36Å; I57-V324 HydrophobicContact CD1-CG2 4.47Å; I57-V324 HydrophobicContact CG1-CG1 3.59Å; I57-V324 HydrophobicContact CG1-CG2 4.17Å; I57-V324 HydrophobicContact CG2-CG1 3.68Å; I57-M328 HydrophobicContact CD1-CG 4.16Å; I57-M328 HydrophobicContact CD1-SD 4.32Å
58S77Confident72.3Confident11 Ų1131.9 Ų31.98%0.07716%0.156CC..Hα-helixtrans-57.8-32.5179.3-56.70000112.5R54 C55 Y62R54-S58 WeakPolarHBondContact O-CB 3.47Å; R54-S58 PolarHBondContact O-N 3.39Å; R54-S58 PolarHBondContact O-OG 2.95Å; C55-S58 PolarHBondContact O-N 3.07Å; S58-Y62 PolarHBondContact O-N 2.96Å; S58-Y62 VanDerWaalsContact O-N 3.11Å
59Y83.1Confident71.2Confident0 Ų036.2 Ų36.20%018%0.177CC..Hα-helixtrans-70.4-42.3172.4157.4-92000113.1S9 I12 C55 V56 I57 D61 Y62 C63 P166 D167 R190 F193S9-Y59 PolarHBondContact OG-OH 3.19Å; I12-Y59 HydrophobicContact CB-CE1 4.31Å; I12-Y59 HydrophobicContact CD1-CE1 3.56Å; I12-Y59 VanDerWaalsContact CD1-OH 3.29Å; I12-Y59 WeakPolarHBondContact CD1-OH 3.16Å; I12-Y59 HydrophobicContact CG2-CD1 4.46Å; I12-Y59 HydrophobicContact CG2-CE1 4.04Å; C55-Y59 PolarHBondContact O-N 3.1Å; V56-Y59 WeakPolarHBondContact O-CB 3.33Å; V56-Y59 PolarHBondContact O-N 2.83Å; I57-Y59 PolarHBondContact O-N 2.93Å; I57-Y59 VanDerWaalsContact O-N 3.17Å; Y59-D61 VanDerWaalsContact C-N 3.33Å; Y59-Y62 WeakPolarHBondContact O-CB 3.34Å; Y59-Y62 PolarHBondContact O-N 2.93Å; Y59-C63 VanDerWaalsContact CE2-SG 3.51Å; Y59-C63 VanDerWaalsContact CZ-SG 3.52Å; Y59-C63 PolarHBondContact O-N 2.82Å; Y59-C63 PolarHBondContact O-SG 2.88Å; Y59-P166 HydrophobicContact CD1-CB 3.55Å; Y59-P166 HydrophobicContact CD1-CG 4.14Å; Y59-P166 HydrophobicContact CD2-CB 4.05Å; Y59-P166 HydrophobicContact CD2-CG 4.33Å; Y59-P166 HydrophobicContact CE1-CB 4Å; Y59-P166 HydrophobicContact CE2-CB 4.44Å; Y59-P166 HydrophobicContact CG-CB 3.59Å; Y59-P166 HydrophobicContact CG-CG 3.78Å; Y59-D167 VanDerWaalsContact CE2-OD1 3.3Å; Y59-D167 WeakPolarHBondContact CE2-OD1 3.39Å; Y59-D167 PolarHBondContact OH-OD1 2.68Å; Y59-R190 PolarHBondContact OH-NH2 3.34Å; Y59-F193 HydrophobicContact CD2-CD2 4.2Å; Y59-F193 AromaticContact CD2-CE2 3.68Å; Y59-F193 HydrophobicContact CD2-CE2 3.68Å; Y59-F193 AromaticContact CD2-CZ 3.97Å; Y59-F193 HydrophobicContact CD2-CZ 3.97Å; Y59-F193 HydrophobicContact CG-CE2 4.38Å
60L76.1Confident70.3Confident6 Ų642.6 Ų42.63%0.03120%0.202CC..Hα-helixtrans-67.5-36176.7-69.1177.4000111.5I12 A13 L16 V56 I57 C63 R64 L317 V320I12-L60 HydrophobicContact CG2-CD2 4.29Å; A13-L60 HydrophobicContact CB-CD1 4.48Å; A13-L60 HydrophobicContact CB-CD2 4.36Å; L16-L60 HydrophobicContact CD2-CD1 3.58Å; V56-L60 WeakPolarHBondContact O-CG 3.47Å; V56-L60 PolarHBondContact O-N 2.64Å; I57-L60 PolarHBondContact O-N 2.7Å; L60-C63 PolarHBondContact O-N 2.72Å; L60-R64 WeakPolarHBondContact O-CB 3.14Å; L60-R64 PolarHBondContact O-N 3.47Å; L60-L317 HydrophobicContact CB-CD2 4.13Å; L60-L317 HydrophobicContact CD2-CD2 4.14Å; L60-V320 HydrophobicContact CD1-CG1 3.94Å
61D70.1Confident69.5Low45 Ų4546.6 Ų46.624%0.24123%0.23CC..Hα-helixtrans-58.5-46.8169.3-99.3-41.8000112.4I57 Y59 C63 R64 S65I57-D61 PolarHBondContact O-N 3.05Å; Y59-D61 VanDerWaalsContact C-N 3.33Å; D61-C63 VanDerWaalsContact C-N 3.35Å; D61-C63 PolarHBondContact O-N 2.78Å; D61-R64 WeakPolarHBondContact O-CB 3.17Å; D61-R64 PolarHBondContact O-N 3.16Å; D61-R64 IonicContact OD1-CZ 2.7Å; D61-R64 IonicContact OD1-NE 2.96Å; D61-R64 IonicContact OD1-NH2 2.65Å; D61-R64 PolarHBondContact OD1-NH2 3.49Å; D61-S65 WeakPolarHBondContact O-CB 3.48Å; D61-S65 PolarHBondContact O-N 2.85Å; D61-S65 VanDerWaalsContact O-N 3.09Å; D61-S65 PolarHBondContact O-OG 3.03Å
62Y76.6Confident69.4Low18 Ų1847.8 Ų47.87%0.07123%0.232CC..Hα-helixtrans-60.9-42.5173.7172.4-101.9000112.2S58 Y59 R64 S65 S66 F193 F208 E209 V212S58-Y62 PolarHBondContact O-N 2.96Å; S58-Y62 VanDerWaalsContact O-N 3.11Å; Y59-Y62 WeakPolarHBondContact O-CB 3.34Å; Y59-Y62 PolarHBondContact O-N 2.93Å; Y62-R64 VanDerWaalsContact C-N 3.27Å; Y62-R64 PolarHBondContact O-N 2.81Å; Y62-S65 PolarHBondContact O-N 3.19Å; Y62-S65 PolarHBondContact O-OG 2.88Å; Y62-S66 WeakPolarHBondContact O-CB 3.46Å; Y62-S66 PolarHBondContact O-N 2.76Å; Y62-S66 PolarHBondContact O-OG 2.73Å; Y62-F193 HydrophobicContact CD1-CE1 4.21Å; Y62-F193 AromaticContact CD1-CZ 3.8Å; Y62-F193 HydrophobicContact CD1-CZ 3.8Å; Y62-F193 AromaticContact CG-CE1 4Å; Y62-F193 HydrophobicContact CG-CE1 4Å; Y62-F193 HydrophobicContact CG-CZ 4.07Å; Y62-F208 AromaticContact CD2-CD1 3.67Å; Y62-F208 HydrophobicContact CD2-CD1 3.67Å; Y62-F208 AromaticContact CD2-CE1 3.7Å; Y62-F208 HydrophobicContact CD2-CE1 3.7Å; Y62-F208 HydrophobicContact CE2-CD1 4.05Å; Y62-F208 HydrophobicContact CE2-CE1 4.41Å; Y62-F208 HydrophobicContact CG-CE1 4.38Å; Y62-E209 HydrophobicContact CE2-CG 4.25Å; Y62-V212 HydrophobicContact CD1-CG1 4.42Å; Y62-V212 HydrophobicContact CD1-CG2 4.28Å; Y62-V212 HydrophobicContact CD2-CG2 3.78Å; Y62-V212 HydrophobicContact CE1-CB 4.2Å; Y62-V212 HydrophobicContact CE1-CG1 3.82Å; Y62-V212 HydrophobicContact CE1-CG2 4.1Å; Y62-V212 HydrophobicContact CE2-CB 4.06Å; Y62-V212 HydrophobicContact CE2-CG2 3.55Å; Y62-V212 HydrophobicContact CG-CG2 4.12Å
63C74Confident69.3Low11 Ų1147.5 Ų47.57%0.07423%0.232CC..Hα-helixtrans-66.2-28.5177.9-64.30000113.1S9 Y59 L60 D61 L68 R190S9-C63 PolarHBondContact OG-SG 3.29Å; Y59-C63 VanDerWaalsContact CE2-SG 3.51Å; Y59-C63 VanDerWaalsContact CZ-SG 3.52Å; Y59-C63 PolarHBondContact O-N 2.82Å; Y59-C63 PolarHBondContact O-SG 2.88Å; L60-C63 PolarHBondContact O-N 2.72Å; D61-C63 VanDerWaalsContact C-N 3.35Å; D61-C63 PolarHBondContact O-N 2.78Å; C63-L68 HydrophobicContact CB-CD1 4.49Å; C63-R190 PolarHBondContact SG-NH1 3.1Å; C63-R190 VanDerWaalsContact SG-NH1 3.37Å
64R65.5Low69.7Low99 Ų9947 Ų4737%0.37423%0.23SC..Hα-helixtrans-73.4-33.7173.4177.9174.366.5155.6-15.9113.2L60 D61 Y62 L317 D321L60-R64 WeakPolarHBondContact O-CB 3.14Å; L60-R64 PolarHBondContact O-N 3.47Å; D61-R64 WeakPolarHBondContact O-CB 3.17Å; D61-R64 PolarHBondContact O-N 3.16Å; D61-R64 IonicContact OD1-CZ 2.7Å; D61-R64 IonicContact OD1-NE 2.96Å; D61-R64 IonicContact OD1-NH2 2.65Å; D61-R64 PolarHBondContact OD1-NH2 3.49Å; Y62-R64 VanDerWaalsContact C-N 3.27Å; Y62-R64 PolarHBondContact O-N 2.81Å; R64-L317 HydrophobicContact CB-CB 4.32Å; R64-L317 HydrophobicContact CB-CD1 4Å; R64-L317 HydrophobicContact CG-CB 4.38Å; R64-D321 IonicContact CZ-OD1 2.65Å; R64-D321 IonicContact CZ-OD2 2.69Å; R64-D321 IonicContact NH1-OD2 2.66Å; R64-D321 PolarHBondContact NH1-OD2 3.44Å; R64-D321 IonicContact NH2-OD1 3.81Å; R64-D321 PolarHBondContact NH2-OD1 2.96Å; R64-D321 VanDerWaalsContact NH2-OD1 3.08Å; R64-D321 IonicContact NH2-OD2 3.74Å; R64-D321 PolarHBondContact NH2-OD2 3.37Å
65S65.2Low70Confident44 Ų4445.5 Ų45.531%0.30823%0.226SC..Hα-helixtrans-107.3-10.5-165.357.50000114.8D61 Y62 T204D61-S65 WeakPolarHBondContact O-CB 3.48Å; D61-S65 PolarHBondContact O-N 2.85Å; D61-S65 VanDerWaalsContact O-N 3.09Å; D61-S65 PolarHBondContact O-OG 3.03Å; Y62-S65 PolarHBondContact O-N 3.19Å; Y62-S65 PolarHBondContact O-OG 2.88Å; S65-T204 PolarHBondContact O-OG1 3.02Å; S65-T204 VanDerWaalsContact OG-CG2 3.28Å; S65-T204 WeakPolarHBondContact OG-CG2 3.41Å
66S65.1Low70.1Confident13 Ų1345.4 Ų45.49%0.09123%0.225CC..SBendtrans-88.4145.7170.651.40000112Y62 L68 E209Y62-S66 WeakPolarHBondContact O-CB 3.46Å; Y62-S66 PolarHBondContact O-N 2.76Å; Y62-S66 PolarHBondContact O-OG 2.73Å; S66-L68 VanDerWaalsContact C-N 3.25Å; S66-L68 PolarHBondContact O-N 2.84Å; S66-E209 WeakPolarHBondContact CA-OE1 3.45Å; S66-E209 WeakPolarHBondContact CB-OE1 3.47Å
67K57.9Low70.1Confident188 Ų18845.5 Ų45.582%0.81723%0.226SC*.  trans-8572173.6-76.5-175.7177.61770109.4L69 E209K67-L69 PolarHBondContact O-N 2.98Å; K67-E209 PolarHBondContact N-OE1 3.46Å
68L54Low70.3Confident35 Ų3546.3 Ų46.318%0.18323%0.228CC..  trans-53.1115-178.5-77.5165.1000111.4Y5 C63 S66 Y70Y5-L68 HydrophobicContact CD2-CD2 4.09Å; Y5-L68 HydrophobicContact CG-CD2 4.35Å; C63-L68 HydrophobicContact CB-CD1 4.49Å; S66-L68 VanDerWaalsContact C-N 3.25Å; S66-L68 PolarHBondContact O-N 2.84Å; L68-Y70 PolarHBondContact O-N 2.92Å
69L49Very low70.3Confident112 Ų11246.5 Ų46.559%0.58623%0.227SC*.  trans-66.1103.8172.2-81.3159.6000108.5K67 S71 K72K67-L69 PolarHBondContact O-N 2.98Å; L69-S71 PolarHBondContact O-N 3.39Å; L69-K72 HydrophobicContact CB-CD 4.03Å; L69-K72 HydrophobicContact CB-CG 4.41Å; L69-K72 HydrophobicContact CD1-CD 4.17Å; L69-K72 PolarHBondContact O-N 3.07Å
70Y50.4Low69.7Low134 Ų13448.9 Ų48.953%0.52524%0.242SC..THydrogen-bonded Turntrans-49.2-16.5-178.5-68.4-80000115.9D6 L68 T310D6-Y70 VanDerWaalsContact OD2-CD1 3.28Å; D6-Y70 WeakPolarHBondContact OD2-CD1 3.3Å; L68-Y70 PolarHBondContact O-N 2.92Å; Y70-T310 PolarHBondContact OH-OG1 2.92Å; Y70-T310 VanDerWaalsContact OH-OG1 3.11Å
71S53.9Low69.2Low99 Ų9950.2 Ų50.269%0.69225%0.247SC*.THydrogen-bonded Turntrans-85.3-1.6176.355.60000114.8L69L69-S71 PolarHBondContact O-N 3.39Å
72K71.2Confident68.7Low89 Ų8950.5 Ų50.539%0.38725%0.252SS..  trans-113.9149.4-176.4-68.6174.5149.3-153.40111.6Y5 L69 W214Y5-K72 HydrophobicContact CD2-CB 4.12Å; Y5-K72 VanDerWaalsContact CD2-O 3.3Å; Y5-K72 WeakPolarHBondContact CD2-O 3.48Å; Y5-K72 HydrophobicContact CE2-CB 3.87Å; Y5-K72 PolarHBondContact N-O 3.44Å; L69-K72 HydrophobicContact CB-CD 4.03Å; L69-K72 HydrophobicContact CB-CG 4.41Å; L69-K72 HydrophobicContact CD1-CD 4.17Å; L69-K72 PolarHBondContact O-N 3.07Å; K72-W214 HydrophobicContact CB-CH2 4.1Å; K72-W214 HydrophobicContact CB-CZ2 4.39Å; K72-W214 HydrophobicContact CD-CH2 3.46Å; K72-W214 VanDerWaalsContact CD-CH2 3.46Å; K72-W214 HydrophobicContact CD-CZ2 3.81Å; K72-W214 VanDerWaalsContact CE-CH2 3.44Å; K72-W214 HydrophobicContact CG-CH2 3.92Å; K72-W214 HydrophobicContact CG-CZ2 4.5Å; K72-W214 VanDerWaalsContact NZ-CH2 3.26Å
73G77.3Confident67.8Low3 Ų353 Ų533%0.03126%0.264CS..EExtended strand (participates in β ladder)trans-169.6174.9-176.100000114L2 L3L2-G73 WeakPolarHBondContact CD1-O 3.43Å; L3-G73 CarbonylContact O-C 3.59Å; L3-G73 WeakPolarHBondContact O-CA 3.36Å
74L83.8Confident67.2Low0 Ų056 Ų560%028%0.279CS..EExtended strand (participates in β ladder)trans-80.4120.1-178.2-167.272.6000110.1L3 Y5 V8 I76 D167 V186 V189L3-L74 HydrophobicContact CB-CB 4.44Å; L3-L74 PolarHBondContact N-O 2.8Å; L3-L74 PolarHBondContact O-N 2.82Å; Y5-L74 HydrophobicContact CE1-CB 4.43Å; V8-L74 HydrophobicContact CG1-CD2 4.26Å; V8-L74 HydrophobicContact CG2-CB 3.8Å; V8-L74 HydrophobicContact CG2-CD2 4.06Å; L74-I76 HydrophobicContact CD2-CD1 4.22Å; L74-I76 HydrophobicContact CD2-CG1 4.24Å; L74-I76 HydrophobicContact CG-CG1 4.34Å; L74-D167 HydrophobicContact CD1-CB 3.95Å; L74-D167 HydrophobicContact CD2-CB 4.3Å; L74-D167 WeakPolarHBondContact CD2-O 3.21Å; L74-V186 HydrophobicContact CD1-CG1 3.52Å; L74-V186 HydrophobicContact CD2-CG1 3.97Å; L74-V186 HydrophobicContact CG-CG1 3.61Å; L74-V189 HydrophobicContact CD1-CB 4.41Å; L74-V189 HydrophobicContact CD1-CG2 3.83Å
75L83Confident67Low32 Ų3252.2 Ų52.217%0.16827%0.266CS..EExtended strand (participates in β ladder)trans-97.2102.3-178.7179.462.5000110.6L2 V186 D187L2-L75 HydrophobicContact CB-CD1 4.36Å; L2-L75 HydrophobicContact CD1-CB 4.22Å; L75-V186 WeakPolarHBondContact O-CA 3.48Å; L75-D187 HydrophobicContact CB-CB 4.11Å; L75-D187 PolarHBondContact N-O 3.27Å; L75-D187 PolarHBondContact O-N 2.92Å
76I84.2Confident66.8Low2 Ų250.4 Ų50.41%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-94.8124.9179.1-57.8164.9000109.3M1 L74 V171 L174 L184 W185 V186 Y257M1-I76 HydrophobicContact CE-CD1 4.16Å; M1-I76 PolarHBondContact N-O 3.37Å; M1-I76 PolarHBondContact O-N 3.42Å; L74-I76 HydrophobicContact CD2-CD1 4.22Å; L74-I76 HydrophobicContact CD2-CG1 4.24Å; L74-I76 HydrophobicContact CG-CG1 4.34Å; I76-V171 HydrophobicContact CD1-CG2 3.98Å; I76-V171 HydrophobicContact CG1-CG2 4.29Å; I76-L174 HydrophobicContact CD1-CD1 3.52Å; I76-L184 HydrophobicContact CG2-CD1 4.16Å; I76-L184 HydrophobicContact CG2-CD2 4.18Å; I76-L184 HydrophobicContact CG2-CG 4.2Å; I76-W185 WeakPolarHBondContact CA-O 3.35Å; I76-V186 HydrophobicContact CG1-CG1 4.27Å; I76-Y257 PolarHBondContact O-OH 3Å
77S80.1Confident66.5Low3 Ų350.4 Ų50.42%0.02125%0.252CS..EExtended strand (participates in β ladder)trans-130.9101.8172.8-63.50000111.2W185 Y257S77-W185 PolarHBondContact N-O 3.39Å; S77-W185 PolarHBondContact O-N 2.84Å; S77-Y257 PolarHBondContact OG-OH 2.93Å
78R79.7Confident66.8Low28 Ų2846.3 Ų46.311%0.10623%0.234CC..EExtended strand (participates in β ladder)trans-71.3121.4166.2-175.4-176.4-173.6150.312.6108.5V80 E182 L184 L261 I262R78-V80 HydrophobicContact CG-CG2 4.46Å; R78-E182 IonicContact CZ-OE1 2.88Å; R78-E182 VanDerWaalsContact CZ-OE1 3.23Å; R78-E182 IonicContact CZ-OE2 3.48Å; R78-E182 IonicContact NE-OE1 3.13Å; R78-E182 PolarHBondContact NE-OE1 3.26Å; R78-E182 IonicContact NE-OE2 2.62Å; R78-E182 IonicContact NH2-OE1 2.72Å; R78-E182 PolarHBondContact NH2-OE1 2.96Å; R78-E182 IonicContact NH2-OE2 3.52Å; R78-E182 PolarHBondContact NH2-OE2 3.18Å; R78-L184 HydrophobicContact CB-CD1 4.43Å; R78-L261 PolarHBondContact NH1-O 3.24Å; R78-I262 HydrophobicContact CB-CD1 4.02Å
79R75.1Confident67.1Low16 Ų1646.4 Ų46.46%0.0624%0.237CC..EExtended strand (participates in β ladder)trans-110134.3175.2-57.5-178.2-170.3-160.8-3.5107.9E182 T183 W185 F251 N253 S698R79-E182 WeakPolarHBondContact O-CA 3.42Å; R79-T183 PolarHBondContact N-O 3.48Å; R79-T183 PolarHBondContact O-N 2.81Å; R79-W185 VanDerWaalsContact CZ-CD2 3.41Å; R79-W185 VanDerWaalsContact NH1-CZ2 3.26Å; R79-F251 PolarHBondContact NH1-O 3.23Å; R79-N253 VanDerWaalsContact CD-OD1 3.31Å; R79-N253 WeakPolarHBondContact CD-OD1 3.42Å; R79-N253 VanDerWaalsContact CZ-OD1 3.24Å; R79-N253 PolarHBondContact NE-OD1 3.17Å; R79-N253 VanDerWaalsContact NE-OD1 3.12Å; R79-S698 PolarHBondContact NH2-O 3.35Å
80V71Confident67.7Low50 Ų5042.8 Ų42.830%0.30322%0.218SC..EExtended strand (participates in β ladder)trans-121.3120.7-178.2-174.80000107.8R78 E182R78-V80 HydrophobicContact CG-CG2 4.46Å; V80-E182 HydrophobicContact CB-CG 4.47Å; V80-E182 HydrophobicContact CG1-CG 4.15Å; V80-E182 HydrophobicContact CG2-CG 4.09Å; V80-E182 VanDerWaalsContact CG2-OE1 3.3Å; V80-E182 WeakPolarHBondContact CG2-OE1 3.42Å
81W65.2Low68Low34 Ų3437.7 Ų37.713%0.12920%0.202CC..  trans-122.3115.4-174.8-161.2-63.9000110.3D85 L86 G181 S248 F251W81-D85 HydrophobicContact CG-CB 4.36Å; W81-L86 VanDerWaalsContact NE1-N 3.16Å; W81-G181 PolarHBondContact N-O 3.23Å; W81-S248 VanDerWaalsContact CB-CB 3.43Å; W81-S248 VanDerWaalsContact CE3-CA 3.41Å; W81-S248 VanDerWaalsContact CE3-CB 3.47Å; W81-S248 VanDerWaalsContact CE3-O 3.31Å; W81-F251 HydrophobicContact CH2-CB 3.76Å; W81-F251 AromaticContact CH2-CD1 3.61Å; W81-F251 HydrophobicContact CH2-CD1 3.61Å; W81-F251 AromaticContact CH2-CD2 3.76Å; W81-F251 HydrophobicContact CH2-CD2 3.76Å; W81-F251 AromaticContact CH2-CE1 3.95Å; W81-F251 HydrophobicContact CH2-CE1 3.95Å; W81-F251 HydrophobicContact CH2-CE2 4.15Å; W81-F251 AromaticContact CH2-CG 3.49Å; W81-F251 HydrophobicContact CH2-CG 3.49Å; W81-F251 VanDerWaalsContact CH2-CG 3.49Å; W81-F251 HydrophobicContact CH2-CZ 4.24Å; W81-F251 HydrophobicContact CZ2-CD1 4.46Å; W81-F251 HydrophobicContact CZ2-CE1 4.39Å; W81-F251 HydrophobicContact CZ3-CB 3.79Å; W81-F251 HydrophobicContact CZ3-CD1 4.48Å; W81-F251 HydrophobicContact CZ3-CD2 4.35Å; W81-F251 HydrophobicContact CZ3-CG 4.05Å
82S60.3Low67.9Low51 Ų5137.9 Ų37.936%0.35721%0.209SC..  trans-82.5154.4177.178.20000111.1L84 D85S82-L84 PolarHBondContact O-N 3.46Å; S82-L84 VanDerWaalsContact O-N 3.09Å; S82-D85 VanDerWaalsContact CB-OD2 3.28Å; S82-D85 WeakPolarHBondContact CB-OD2 3.48Å; S82-D85 PolarHBondContact N-OD2 3.17Å; S82-D85 WeakPolarHBondContact O-CB 3.07Å; S82-D85 PolarHBondContact O-N 3.26Å; S82-D85 VanDerWaalsContact OG-CG 3.23Å; S82-D85 PolarHBondContact OG-N 2.84Å; S82-D85 PolarHBondContact OG-OD2 2.61Å
83H58.1Low66.8Low70 Ų7038.3 Ų38.332%0.32422%0.216SC..Hα-helixtrans-51.5-34.8173.4176.8-104.6000113.1D85 L86 L87 M103H83-D85 VanDerWaalsContact C-N 3.3Å; H83-D85 PolarHBondContact O-N 3.21Å; H83-L86 PolarHBondContact O-N 2.85Å; H83-L87 PolarHBondContact O-N 3.29Å; H83-M103 WeakPolarHBondContact NE2-CE 3.43Å; H83-M103 PolarHBondContact NE2-SD 3.14Å; H83-M103 VanDerWaalsContact NE2-SD 3.35Å
84L60.5Low65.7Low74 Ų7442 Ų4239%0.38724%0.235SC..Hα-helixtrans-65.3-28175.2-80157000113.7S82 L87 K88S82-L84 PolarHBondContact O-N 3.46Å; S82-L84 VanDerWaalsContact O-N 3.09Å; L84-L87 PolarHBondContact O-N 2.71Å; L84-K88 WeakPolarHBondContact O-CG 3.35Å; L84-K88 PolarHBondContact O-N 3.34Å
85D62.3Low64.1Low20 Ų2047.5 Ų47.511%0.10727%0.269CS..Hα-helixtrans-74.4-34.6-178.8-64.2-49.2000111.8W81 S82 H83 K88 C89 L255W81-D85 HydrophobicContact CG-CB 4.36Å; S82-D85 VanDerWaalsContact CB-OD2 3.28Å; S82-D85 WeakPolarHBondContact CB-OD2 3.48Å; S82-D85 PolarHBondContact N-OD2 3.17Å; S82-D85 WeakPolarHBondContact O-CB 3.07Å; S82-D85 PolarHBondContact O-N 3.26Å; S82-D85 VanDerWaalsContact OG-CG 3.23Å; S82-D85 PolarHBondContact OG-N 2.84Å; S82-D85 PolarHBondContact OG-OD2 2.61Å; H83-D85 VanDerWaalsContact C-N 3.3Å; H83-D85 PolarHBondContact O-N 3.21Å; D85-K88 WeakPolarHBondContact O-CB 3.39Å; D85-K88 PolarHBondContact O-N 3.07Å; D85-K88 IonicContact OD1-NZ 3.69Å; D85-K88 PolarHBondContact OD1-NZ 3.33Å; D85-C89 PolarHBondContact O-N 3.26Å; D85-C89 PolarHBondContact O-SG 3.45Å; D85-C89 VanDerWaalsContact O-SG 3.35Å; D85-L255 HydrophobicContact CB-CD1 3.67Å
86L61.2Low62.4Low6 Ų649.4 Ų49.43%0.03128%0.282CS..Hα-helixtrans-67.7-39169.9-178113.6000111.6W81 H83 K88 C89 I90 I244W81-L86 VanDerWaalsContact NE1-N 3.16Å; H83-L86 PolarHBondContact O-N 2.85Å; L86-K88 PolarHBondContact O-N 3.33Å; L86-C89 PolarHBondContact O-N 3.49Å; L86-I90 HydrophobicContact CD1-CD1 4.13Å; L86-I90 HydrophobicContact CD2-CD1 3.6Å; L86-I90 HydrophobicContact CG-CD1 3.73Å; L86-I90 HydrophobicContact CG-CG1 4.29Å; L86-I90 PolarHBondContact O-N 3.28Å; L86-I244 HydrophobicContact CD1-CB 4.28Å; L86-I244 HydrophobicContact CD1-CG1 3.85Å; L86-I244 HydrophobicContact CD1-CG2 4.2Å; L86-I244 HydrophobicContact CD2-CD1 3.73Å; L86-I244 HydrophobicContact CD2-CG1 3.59Å; L86-I244 HydrophobicContact CG-CG1 4.26Å
87L59.2Low60.8Low12 Ų1256 Ų566%0.06332%0.317CS..Hα-helixtrans-58-37.5175-76.7171.6000111.9H83 L84 I90 S91H83-L87 PolarHBondContact O-N 3.29Å; L84-L87 PolarHBondContact O-N 2.71Å; L87-I90 PolarHBondContact O-N 3.18Å; L87-S91 WeakPolarHBondContact O-CA 3.34Å; L87-S91 WeakPolarHBondContact O-CB 3.36Å; L87-S91 PolarHBondContact O-N 2.66Å; L87-S91 VanDerWaalsContact O-O 3.07Å
88K63.8Low59.7Low102 Ų10261 Ų6144%0.44334%0.34SS..Hα-helixtrans-63.7-37.4172.5-62.2164.4-160.8167.30113L84 D85 L86 L94L84-K88 WeakPolarHBondContact O-CG 3.35Å; L84-K88 PolarHBondContact O-N 3.34Å; D85-K88 WeakPolarHBondContact O-CB 3.39Å; D85-K88 PolarHBondContact O-N 3.07Å; D85-K88 IonicContact OD1-NZ 3.69Å; D85-K88 PolarHBondContact OD1-NZ 3.33Å; L86-K88 PolarHBondContact O-N 3.33Å; K88-L94 HydrophobicContact CG-CD1 4.23Å; K88-L94 HydrophobicContact CG-CD2 3.83Å; K88-L94 HydrophobicContact CG-CG 4.49Å
89C59.5Low59.1Low37 Ų3765.1 Ų65.125%0.2536%0.364CS..Hα-helixtrans-73.8-27.3179.1-63.40000113.2D85 L86 F251D85-C89 PolarHBondContact O-N 3.26Å; D85-C89 PolarHBondContact O-SG 3.45Å; D85-C89 VanDerWaalsContact O-SG 3.35Å; L86-C89 PolarHBondContact O-N 3.49Å; C89-F251 HydrophobicContact CB-CE1 4.42Å
90I61.4Low58.7Low37 Ų3767.2 Ų67.219%0.1937%0.373CS..Hα-helixtrans-101.9-21.8-174.7-69.7-175.7000112.5L86 L87 R106 L107 A110L86-I90 HydrophobicContact CD1-CD1 4.13Å; L86-I90 HydrophobicContact CD2-CD1 3.6Å; L86-I90 HydrophobicContact CG-CD1 3.73Å; L86-I90 HydrophobicContact CG-CG1 4.29Å; L86-I90 PolarHBondContact O-N 3.28Å; L87-I90 PolarHBondContact O-N 3.18Å; I90-R106 HydrophobicContact CG2-CB 3.83Å; I90-R106 WeakPolarHBondContact CG2-O 3.45Å; I90-L107 HydrophobicContact CD1-CD1 3.79Å; I90-A110 HydrophobicContact CG1-CB 4.34Å; I90-A110 HydrophobicContact CG2-CB 4.05Å
91S57.4Low58.7Low27 Ų2772.4 Ų72.419%0.18939%0.394CS..  trans-146.8124.9-168.9-151.80000112.1L87 D93 R106L87-S91 WeakPolarHBondContact O-CA 3.34Å; L87-S91 WeakPolarHBondContact O-CB 3.36Å; L87-S91 PolarHBondContact O-N 2.66Å; L87-S91 VanDerWaalsContact O-O 3.07Å; S91-D93 VanDerWaalsContact C-N 3.32Å; S91-R106 PolarHBondContact OG-NH1 2.91Å
92A51.7Low58.9Low102 Ų10272.6 Ų72.684%0.84340%0.401SS*.SBendtrans-68-32174.100000112.4
93D48.8Very low59.4Low99 Ų9971.7 Ų71.753%0.52939%0.391SS..  trans-94.1100.3179.3-91.5-61.4000112.5S91 T95 R106S91-D93 VanDerWaalsContact C-N 3.32Å; D93-T95 PolarHBondContact O-N 2.75Å; D93-T95 PolarHBondContact OD1-OG1 2.8Å; D93-R106 PolarHBondContact O-NH1 3.05Å
94L53.1Low60.3Low81 Ų8169.3 Ų69.342%0.42438%0.382SS..  trans-78.7-1.5170.4-73.4100.8000113.9K88 T96K88-L94 HydrophobicContact CG-CD1 4.23Å; K88-L94 HydrophobicContact CG-CD2 3.83Å; K88-L94 HydrophobicContact CG-CG 4.49Å; L94-T96 VanDerWaalsContact C-N 3.29Å; L94-T96 PolarHBondContact O-N 3.31Å
95T49.7Very low61.2Low115 Ų11573.2 Ų73.271%0.70639%0.393SS*.  trans-78.91.8-165.249.20000115.5D93D93-T95 PolarHBondContact O-N 2.75Å; D93-T95 PolarHBondContact OD1-OG1 2.8Å
96T47.3Very low61.9Low72 Ų7274.1 Ų74.144%0.44240%0.395SS..SBendtrans-132.3147.6-167.639.80000113.2L94 R106L94-T96 VanDerWaalsContact C-N 3.29Å; L94-T96 PolarHBondContact O-N 3.31Å; T96-R106 PolarHBondContact OG1-NH2 2.9Å
97N50.6Low62.7Low139 Ų13974 Ų7474%0.74339%0.394SS*.  trans-46.7137.9-165.5-70.5-11.9000115.4D99 S102N97-D99 PolarHBondContact O-N 3.33Å; N97-S102 PolarHBondContact O-OG 3.05Å
98H58.6Low63.8Low110 Ų11074.5 Ų74.551%0.50940%0.397SS..  trans-76.835.4-179.4-55.1-33.7000114.1
99D66.4Low64.6Low113 Ų11372.9 Ų72.960%0.60439%0.393SS*.  trans-71.5151.3-179-147.3-33000111.7N97 E101 S102 M103N97-D99 PolarHBondContact O-N 3.33Å; D99-E101 PolarHBondContact O-N 3.09Å; D99-S102 WeakPolarHBondContact O-CB 3.45Å; D99-S102 PolarHBondContact O-N 2.98Å; D99-M103 PolarHBondContact O-N 3.01Å
100F66.2Low65.4Low61 Ų6172.5 Ų72.527%0.26839%0.393SS..Hα-helixtrans-64.8-39.9-174.3172.4-106.5000112.4M103 C104 A236 Q237 V240F100-M103 HydrophobicContact CD2-CE 4.09Å; F100-M103 WeakPolarHBondContact O-CB 3.39Å; F100-M103 PolarHBondContact O-N 2.97Å; F100-C104 HydrophobicContact CZ-CB 4.24Å; F100-C104 PolarHBondContact O-N 3.37Å; F100-A236 HydrophobicContact CE1-CB 4.27Å; F100-A236 HydrophobicContact CZ-CB 3.98Å; F100-Q237 HydrophobicContact CD2-CG 4.2Å; F100-Q237 HydrophobicContact CE1-CB 4.44Å; F100-Q237 HydrophobicContact CE2-CB 4.06Å; F100-Q237 HydrophobicContact CE2-CG 4.12Å; F100-Q237 HydrophobicContact CZ-CB 4.01Å; F100-V240 HydrophobicContact CE2-CB 4.07Å; F100-V240 HydrophobicContact CE2-CG1 4.27Å; F100-V240 HydrophobicContact CE2-CG2 4.1Å; F100-V240 HydrophobicContact CZ-CG2 4.29Å
101E71Confident66.5Low159 Ų15970.8 Ų70.874%0.74338%0.383SS*.Hα-helixtrans-65.7-41.3179-169.3169.2-158.800111.6D99 M103 C104 Y105D99-E101 PolarHBondContact O-N 3.09Å; E101-M103 VanDerWaalsContact C-N 3.34Å; E101-M103 PolarHBondContact O-N 3.23Å; E101-C104 PolarHBondContact O-N 2.9Å; E101-Y105 WeakPolarHBondContact O-CB 3.34Å; E101-Y105 PolarHBondContact O-N 3.45Å
102S70.4Confident67.5Low38 Ų3871.9 Ų71.927%0.26639%0.391SS..Hα-helixtrans-57.7-43.2170.6166.60000111.7N97 D99 R106N97-S102 PolarHBondContact O-OG 3.05Å; D99-S102 WeakPolarHBondContact O-CB 3.45Å; D99-S102 PolarHBondContact O-N 2.98Å; S102-R106 WeakPolarHBondContact O-CB 3.39Å; S102-R106 WeakPolarHBondContact O-CG 3.38Å; S102-R106 PolarHBondContact O-N 2.91Å; S102-R106 PolarHBondContact OG-NE 2.73Å; S102-R106 PolarHBondContact OG-NH2 3.06Å
103M71Confident68.3Low31 Ų3171.8 Ų71.815%0.15339%0.385CS..Hα-helixtrans-64.9-47.7177.3-168.8-155.9-42.400112.3H83 D99 F100 E101 R106 L107 V240 I244H83-M103 WeakPolarHBondContact NE2-CE 3.43Å; H83-M103 PolarHBondContact NE2-SD 3.14Å; H83-M103 VanDerWaalsContact NE2-SD 3.35Å; D99-M103 PolarHBondContact O-N 3.01Å; F100-M103 HydrophobicContact CD2-CE 4.09Å; F100-M103 WeakPolarHBondContact O-CB 3.39Å; F100-M103 PolarHBondContact O-N 2.97Å; E101-M103 VanDerWaalsContact C-N 3.34Å; E101-M103 PolarHBondContact O-N 3.23Å; M103-R106 PolarHBondContact O-N 2.88Å; M103-L107 WeakPolarHBondContact O-CB 3.23Å; M103-L107 PolarHBondContact O-N 2.89Å; M103-V240 HydrophobicContact CG-CG1 4.35Å; M103-V240 HydrophobicContact SD-CG1 3.46Å; M103-V240 WeakPolarHBondContact SD-CG1 3.29Å; M103-I244 HydrophobicContact SD-CD1 3.73Å
104C76.7Confident69.3Low21 Ų2167.7 Ų67.714%0.14236%0.363CS..Hα-helixtrans-62.4-44.2179.2-168.70000111.2F100 E101 L107 M108 V240F100-C104 HydrophobicContact CZ-CB 4.24Å; F100-C104 PolarHBondContact O-N 3.37Å; E101-C104 PolarHBondContact O-N 2.9Å; C104-L107 PolarHBondContact O-N 2.84Å; C104-M108 WeakPolarHBondContact O-CB 3.36Å; C104-M108 VanDerWaalsContact O-CG 3.24Å; C104-M108 WeakPolarHBondContact O-CG 3.38Å; C104-M108 PolarHBondContact O-N 3.4Å; C104-V240 HydrophobicContact CB-CG2 4.49Å
105Y79.5Confident70.4Confident155 Ų15570.6 Ų70.661%0.60837%0.374SS*.Hα-helixtrans-62.8-42175.9-178-103000112.8E101 M108 N109E101-Y105 WeakPolarHBondContact O-CB 3.34Å; E101-Y105 PolarHBondContact O-N 3.45Å; Y105-M108 PolarHBondContact O-N 2.9Å; Y105-N109 WeakPolarHBondContact CE1-ND2 3.32Å; Y105-N109 VanDerWaalsContact CZ-ND2 3.29Å; Y105-N109 PolarHBondContact O-N 2.9Å; Y105-N109 PolarHBondContact OH-ND2 3.45Å
106R75.4Confident72Confident39 Ų3965.7 Ų65.715%0.14734%0.344CS..Hα-helixtrans-62.5-45.1174.6-74.8176.1-154.5-128.37.2112.1I90 S91 D93 T96 S102 M103 M108 N109 A110I90-R106 HydrophobicContact CG2-CB 3.83Å; I90-R106 WeakPolarHBondContact CG2-O 3.45Å; S91-R106 PolarHBondContact OG-NH1 2.91Å; D93-R106 PolarHBondContact O-NH1 3.05Å; T96-R106 PolarHBondContact OG1-NH2 2.9Å; S102-R106 WeakPolarHBondContact O-CB 3.39Å; S102-R106 WeakPolarHBondContact O-CG 3.38Å; S102-R106 PolarHBondContact O-N 2.91Å; S102-R106 PolarHBondContact OG-NE 2.73Å; S102-R106 PolarHBondContact OG-NH2 3.06Å; M103-R106 PolarHBondContact O-N 2.88Å; R106-M108 PolarHBondContact O-N 2.7Å; R106-N109 PolarHBondContact O-N 2.65Å; R106-A110 PolarHBondContact O-N 3.48Å
107L79.8Confident73.5Confident4 Ų463.1 Ų63.12%0.02133%0.328CS..Hα-helixtrans-58.2-48.1175-177.569.2000111I90 M103 C104 N109 A110 L111 V240 I243 L735 F817I90-L107 HydrophobicContact CD1-CD1 3.79Å; M103-L107 WeakPolarHBondContact O-CB 3.23Å; M103-L107 PolarHBondContact O-N 2.89Å; C104-L107 PolarHBondContact O-N 2.84Å; L107-N109 VanDerWaalsContact C-N 3.28Å; L107-N109 PolarHBondContact O-N 3.16Å; L107-A110 PolarHBondContact O-N 2.86Å; L107-A110 VanDerWaalsContact O-N 3.16Å; L107-L111 HydrophobicContact CD1-CD1 4.43Å; L107-L111 HydrophobicContact CG-CD1 4.05Å; L107-L111 HydrophobicContact CG-CG 4.5Å; L107-L111 WeakPolarHBondContact O-CG 3.5Å; L107-L111 PolarHBondContact O-N 3.47Å; L107-V240 HydrophobicContact CD2-CB 4.45Å; L107-V240 HydrophobicContact CD2-CG1 4.29Å; L107-V240 HydrophobicContact CD2-CG2 3.89Å; L107-I243 HydrophobicContact CD1-CG2 4.36Å; L107-I243 HydrophobicContact CD2-CG2 4.47Å; L107-L735 HydrophobicContact CD1-CD1 3.69Å; L107-L735 HydrophobicContact CD1-CD2 4.26Å; L107-F817 HydrophobicContact CD2-CE2 4.46Å; L107-F817 HydrophobicContact CD2-CZ 4.43Å
108M81.7Confident75.1Confident23 Ų2359.1 Ų59.111%0.11331%0.311CS..Hα-helixtrans-59.5-35.4178-78.4-68.3-82.100113.6C104 Y105 R106 S112 K814 F817 N818C104-M108 WeakPolarHBondContact O-CB 3.36Å; C104-M108 VanDerWaalsContact O-CG 3.24Å; C104-M108 WeakPolarHBondContact O-CG 3.38Å; C104-M108 PolarHBondContact O-N 3.4Å; Y105-M108 PolarHBondContact O-N 2.9Å; R106-M108 PolarHBondContact O-N 2.7Å; M108-S112 WeakPolarHBondContact O-CB 3.48Å; M108-S112 PolarHBondContact O-N 3.09Å; M108-K814 HydrophobicContact CE-CD 4.3Å; M108-K814 HydrophobicContact CE-CG 3.66Å; M108-K814 HydrophobicContact SD-CG 3.91Å; M108-F817 HydrophobicContact CE-CD1 4.45Å; M108-F817 HydrophobicContact CG-CD1 4.36Å; M108-F817 HydrophobicContact CG-CE1 4.18Å; M108-F817 HydrophobicContact SD-CD1 3.31Å; M108-F817 WeakPolarHBondContact SD-CD1 3.14Å; M108-F817 HydrophobicContact SD-CE1 3.71Å; M108-F817 HydrophobicContact SD-CG 4.33Å; M108-N818 WeakPolarHBondContact CE-OD1 3.38Å
109N80.6Confident76.4Confident68 Ų6854.1 Ų54.136%0.36429%0.288SS..Hα-helixtrans-73-40174.9-74.3-10.5000112Y105 R106 L107 L111 S112Y105-N109 WeakPolarHBondContact CE1-ND2 3.32Å; Y105-N109 VanDerWaalsContact CZ-ND2 3.29Å; Y105-N109 PolarHBondContact O-N 2.9Å; Y105-N109 PolarHBondContact OH-ND2 3.45Å; R106-N109 PolarHBondContact O-N 2.65Å; L107-N109 VanDerWaalsContact C-N 3.28Å; L107-N109 PolarHBondContact O-N 3.16Å; N109-L111 VanDerWaalsContact C-N 3.34Å; N109-L111 PolarHBondContact O-N 2.7Å; N109-S112 WeakPolarHBondContact O-CB 3.35Å; N109-S112 PolarHBondContact O-N 2.96Å; N109-S112 PolarHBondContact O-OG 3.27Å
110A76.7Confident77.3Confident29 Ų2953 Ų5324%0.2428%0.281CS..Hα-helixtrans-65.1-35.417500000113.1I90 R106 L107 S112 L735I90-A110 HydrophobicContact CG1-CB 4.34Å; I90-A110 HydrophobicContact CG2-CB 4.05Å; R106-A110 PolarHBondContact O-N 3.48Å; L107-A110 PolarHBondContact O-N 2.86Å; L107-A110 VanDerWaalsContact O-N 3.16Å; A110-S112 VanDerWaalsContact C-N 3.27Å; A110-S112 PolarHBondContact O-N 2.86Å; A110-L735 HydrophobicContact CB-CD2 4.26Å
111L83.4Confident78.3Confident0 Ų051.4 Ų51.40%028%0.276CS..G310 helixtrans-75.3-12175.1-65.4175.9000113.8L107 N109 S113 T114 I731 L735 A813 K814 F817L107-L111 HydrophobicContact CD1-CD1 4.43Å; L107-L111 HydrophobicContact CG-CD1 4.05Å; L107-L111 HydrophobicContact CG-CG 4.5Å; L107-L111 WeakPolarHBondContact O-CG 3.5Å; L107-L111 PolarHBondContact O-N 3.47Å; N109-L111 VanDerWaalsContact C-N 3.34Å; N109-L111 PolarHBondContact O-N 2.7Å; L111-S113 PolarHBondContact O-N 2.79Å; L111-T114 PolarHBondContact O-OG1 2.89Å; L111-I731 HydrophobicContact CD1-CG2 3.85Å; L111-I731 HydrophobicContact CD2-CG2 3.88Å; L111-L735 HydrophobicContact CD2-CD1 4.13Å; L111-L735 HydrophobicContact CD2-CD2 3.58Å; L111-L735 HydrophobicContact CD2-CG 3.66Å; L111-L735 HydrophobicContact CG-CD2 4.19Å; L111-A813 HydrophobicContact CB-CB 4.43Å; L111-A813 HydrophobicContact CD2-CB 3.81Å; L111-K814 HydrophobicContact CB-CB 3.88Å; L111-K814 PolarHBondContact O-N 3.39Å; L111-F817 HydrophobicContact CD1-CB 4.36Å
112S79.9Confident79Confident51 Ų5145.2 Ų45.236%0.35725%0.248SC..G310 helixtrans-75.3-22.8-169.574.10000115.2M108 N109 A110M108-S112 WeakPolarHBondContact O-CB 3.48Å; M108-S112 PolarHBondContact O-N 3.09Å; N109-S112 WeakPolarHBondContact O-CB 3.35Å; N109-S112 PolarHBondContact O-N 2.96Å; N109-S112 PolarHBondContact O-OG 3.27Å; A110-S112 VanDerWaalsContact C-N 3.27Å; A110-S112 PolarHBondContact O-N 2.86Å
113S67.5Low79.6Confident100 Ų10048 Ų4870%0.69926%0.26SS*.G310 helixtrans-111.28.8-175.354.20000113L111L111-S113 PolarHBondContact O-N 2.79Å
114T70.6Confident80.1Confident13 Ų1352.5 Ų52.58%0.0829%0.29CS..  trans-121.3120.4-169.4570000112.1L111 T734 N738 A813L111-T114 PolarHBondContact O-OG1 2.89Å; T114-T734 WeakPolarHBondContact OG1-CG2 3.47Å; T114-N738 HydrophobicContact CG2-CB 3.76Å; T114-A813 PolarHBondContact O-N 2.85Å
115H76Confident80.2Confident141 Ų14153.4 Ų53.465%0.65329%0.293SS*.BIsolated β-bridgetrans-69.3144.9169.4-63.8-69.4000111.1T734H115-T734 WeakPolarHBondContact O-CG2 3.33Å
116L83.8Confident80.3Confident13 Ų1349.5 Ų49.57%0.06829%0.285CS..PPolyproline II helixtrans-63.2134.7172.9-74.5160.2000110.3W730 V806 A813 L816L116-W730 HydrophobicContact CB-CZ2 3.95Å; L116-W730 HydrophobicContact CD1-CH2 4.24Å; L116-W730 HydrophobicContact CD1-CZ2 4.09Å; L116-W730 HydrophobicContact CD2-CD2 4Å; L116-W730 HydrophobicContact CD2-CG 3.96Å; L116-W730 HydrophobicContact CG-CZ2 4.47Å; L116-V806 HydrophobicContact CD1-CG1 3.52Å; L116-A813 HydrophobicContact CD2-CB 3.73Å; L116-A813 HydrophobicContact CG-CB 4.11Å; L116-L816 HydrophobicContact CD1-CB 4.26Å; L116-L816 HydrophobicContact CD1-CD2 3.89Å; L116-L816 HydrophobicContact CD2-CD2 4.03Å
117P78.6Confident80.6Confident18 Ų1848.9 Ų48.912%0.11729%0.287CS..PPolyproline II helixtrans-66.6166.3178.230.5-37.5000111.4L119 W730 A733 T734 Y737 L786 Y807P117-L119 PolarHBondContact O-N 3.37Å; P117-W730 PolarHBondContact O-NE1 3Å; P117-A733 HydrophobicContact CG-CB 4.19Å; P117-T734 WeakPolarHBondContact CD-OG1 3.27Å; P117-Y737 HydrophobicContact CB-CD2 3.74Å; P117-Y737 HydrophobicContact CB-CE2 3.98Å; P117-Y737 HydrophobicContact CG-CD2 3.93Å; P117-Y737 HydrophobicContact CG-CE2 4.16Å; P117-L786 HydrophobicContact CG-CD1 3.81Å; P117-L786 HydrophobicContact CG-CG 4.26Å; P117-Y807 PolarHBondContact O-OH 3.2Å
118C82.5Confident80.6Confident55 Ų5549.6 Ų49.637%0.37229%0.291SS..PPolyproline II helixtrans-60.5123.8176.3-170.10000111.1L786 Y807C118-L786 PolarHBondContact O-N 3.39Å; C118-Y807 VanDerWaalsContact CA-OH 3.24Å; C118-Y807 WeakPolarHBondContact CA-OH 3.42Å
119L86.1Confident80.4Confident5 Ų549.5 Ų49.53%0.02630%0.296CS..EExtended strand (participates in β ladder)trans-119.8113175174.356.2000108.8P117 L707 I726 W730 L786 C788 V803 Y807P117-L119 PolarHBondContact O-N 3.37Å; L119-L707 HydrophobicContact CD1-CD1 3.84Å; L119-I726 HydrophobicContact CD2-CG2 4.39Å; L119-W730 HydrophobicContact CB-CD2 4.33Å; L119-W730 HydrophobicContact CB-CZ2 4.14Å; L119-W730 HydrophobicContact CD2-CB 4.44Å; L119-W730 HydrophobicContact CD2-CD2 3.59Å; L119-W730 HydrophobicContact CD2-CE3 3.77Å; L119-W730 HydrophobicContact CD2-CG 3.93Å; L119-W730 HydrophobicContact CD2-CZ2 4.42Å; L119-W730 HydrophobicContact CD2-CZ3 4.26Å; L119-L786 WeakPolarHBondContact CA-O 3.2Å; L119-L786 HydrophobicContact CB-CB 4.39Å; L119-L786 HydrophobicContact CD1-CB 3.74Å; L119-C788 HydrophobicContact CD1-CB 4.17Å; L119-V803 HydrophobicContact CD2-CG2 3.76Å; L119-V803 HydrophobicContact CG-CG2 4.19Å; L119-Y807 PolarHBondContact N-OH 2.85Å
120L86.9Confident80.5Confident89 Ų8947.1 Ų47.147%0.46628%0.282SS..EExtended strand (participates in β ladder)trans-95.1139.2175.1-56177.5000109.2P785 L786 V787 C788L120-P785 HydrophobicContact CD1-CB 4.07Å; L120-P785 HydrophobicContact CG-CB 4.47Å; L120-L786 PolarHBondContact N-O 2.86Å; L120-V787 HydrophobicContact CB-CG1 4.5Å; L120-V787 HydrophobicContact CB-CG2 4.46Å; L120-V787 HydrophobicContact CD1-CG2 4.49Å; L120-V787 CarbonylContact O-C 3.6Å; L120-V787 WeakPolarHBondContact O-CA 3.45Å; L120-C788 PolarHBondContact O-N 3.42Å
121V86.8Confident80.5Confident27 Ų2746 Ų4616%0.16427%0.274CS..EExtended strand (participates in β ladder)trans-111.8127.3175.5-170.40000109C788 T790 L799 Q800 V803V121-C788 WeakPolarHBondContact CA-O 3.41Å; V121-T790 HydrophobicContact CG1-CG2 3.68Å; V121-L799 HydrophobicContact CG1-CB 4.49Å; V121-L799 HydrophobicContact CG1-CD2 3.96Å; V121-L799 HydrophobicContact CG1-CG 4.34Å; V121-L799 HydrophobicContact CG2-CD2 3.89Å; V121-L799 HydrophobicContact CG2-CG 3.78Å; V121-Q800 HydrophobicContact CB-CB 4.45Å; V121-Q800 HydrophobicContact CG2-CB 4.43Å; V121-V803 HydrophobicContact CG2-CG2 4.45Å
122D85.1Confident80.1Confident29 Ų2951.4 Ų51.416%0.15530%0.297CS..EExtended strand (participates in β ladder)trans-118125.8173.4-161.2-39.9000109.9T124 L125 M130 C788 C789 T790D122-T124 WeakPolarHBondContact OD1-CA 3.41Å; D122-T124 WeakPolarHBondContact OD1-CB 3.34Å; D122-T124 PolarHBondContact OD1-N 2.89Å; D122-T124 PolarHBondContact OD1-OG1 3.43Å; D122-L125 PolarHBondContact OD1-N 3.07Å; D122-L125 WeakPolarHBondContact OD2-CD1 3.36Å; D122-M130 HydrophobicContact CB-CE 3.65Å; D122-M130 WeakPolarHBondContact OD2-CE 3.4Å; D122-C788 PolarHBondContact N-O 2.94Å; D122-C789 CarbonylContact O-C 3.58Å; D122-C789 WeakPolarHBondContact O-CA 3.28Å; D122-T790 PolarHBondContact O-N 3.16Å; D122-T790 PolarHBondContact O-OG1 3.32Å
123N82.6Confident79.8Confident98 Ų9855.6 Ų55.652%0.52431%0.309SS..SBendtrans-108.56.5178.8-66.4-17000112.3T790N123-T790 WeakPolarHBondContact OD1-CB 3.38Å; N123-T790 WeakPolarHBondContact OD1-CG2 3.27Å; N123-T790 PolarHBondContact OD1-OG1 2.73Å
124T81.4Confident80Confident125 Ų12553.5 Ų53.577%0.76729%0.292SS*.SBendtrans-119-33.2-171.571.30000112.9D122D122-T124 WeakPolarHBondContact OD1-CA 3.41Å; D122-T124 WeakPolarHBondContact OD1-CB 3.34Å; D122-T124 PolarHBondContact OD1-N 2.89Å; D122-T124 PolarHBondContact OD1-OG1 3.43Å
125L79.9Confident80.2Confident40 Ų4059.5 Ų59.521%0.20932%0.319CS..SBendtrans-100.9146176.4-64.4175.2000111.1D122 M130 K133D122-L125 PolarHBondContact OD1-N 3.07Å; D122-L125 WeakPolarHBondContact OD2-CD1 3.36Å; L125-M130 HydrophobicContact CB-CE 4.36Å; L125-M130 HydrophobicContact CD1-CE 3.75Å; L125-M130 HydrophobicContact CD1-SD 4.43Å; L125-K133 HydrophobicContact CD1-CD 3.77Å
126T81.6Confident80.2Confident73 Ų7353.5 Ų53.545%0.44829%0.291SS..  trans-75.3161164.859.70000110.7D128 G129 M130 N791T126-D128 PolarHBondContact O-N 3.35Å; T126-G129 PolarHBondContact O-N 2.98Å; T126-G129 PolarHBondContact OG1-N 3.28Å; T126-M130 PolarHBondContact O-N 3.38Å; T126-N791 VanDerWaalsContact CA-OD1 3.23Å; T126-N791 WeakPolarHBondContact CA-OD1 3.3Å
127S81.2Confident80.1Confident26 Ų2653 Ų5318%0.18229%0.289CS..Hα-helixtrans-49.3-41.2172.350.70000112.7M130 A131 N791S127-M130 PolarHBondContact O-N 2.72Å; S127-A131 WeakPolarHBondContact O-CB 3.18Å; S127-A131 PolarHBondContact O-N 2.8Å; S127-N791 PolarHBondContact N-OD1 3.44Å
128D79Confident80.5Confident19 Ų1952.6 Ų52.610%0.10229%0.286CS..Hα-helixtrans-71.3-38.3179.7-44.6-42.3000112T126 M130 A131 F132 K164 Y165T126-D128 PolarHBondContact O-N 3.35Å; D128-M130 VanDerWaalsContact C-N 3.32Å; D128-A131 PolarHBondContact O-N 3.38Å; D128-F132 WeakPolarHBondContact O-CB 3.31Å; D128-F132 PolarHBondContact O-N 2.9Å; D128-K164 WeakPolarHBondContact OD2-CE 3.24Å; D128-K164 IonicContact OD2-NZ 3.11Å; D128-K164 PolarHBondContact OD2-NZ 3.46Å; D128-Y165 PolarHBondContact OD1-OH 3.13Å
129G79Confident80.7Confident21 Ų2150.1 Ų50.122%0.21627%0.269CS..Hα-helixtrans-67.5-33.4175.800000112.6T126 K133T126-G129 PolarHBondContact O-N 2.98Å; T126-G129 PolarHBondContact OG1-N 3.28Å; G129-K133 WeakPolarHBondContact O-CG 3.25Å; G129-K133 PolarHBondContact O-N 2.86Å
130M81.3Confident80.8Confident17 Ų1750.1 Ų50.18%0.08427%0.269CS..Hα-helixtrans-70.5-45171.3-172.561.370.500111.5D122 L125 T126 S127 D128 F132 K133 T134 I706 V787 C789D122-M130 HydrophobicContact CB-CE 3.65Å; D122-M130 WeakPolarHBondContact OD2-CE 3.4Å; L125-M130 HydrophobicContact CB-CE 4.36Å; L125-M130 HydrophobicContact CD1-CE 3.75Å; L125-M130 HydrophobicContact CD1-SD 4.43Å; T126-M130 PolarHBondContact O-N 3.38Å; S127-M130 PolarHBondContact O-N 2.72Å; D128-M130 VanDerWaalsContact C-N 3.32Å; M130-F132 VanDerWaalsContact C-N 3.3Å; M130-F132 PolarHBondContact O-N 3.41Å; M130-K133 PolarHBondContact O-N 3.19Å; M130-K133 VanDerWaalsContact O-N 3.16Å; M130-T134 HydrophobicContact CG-CG2 4.37Å; M130-T134 WeakPolarHBondContact O-CB 3.18Å; M130-T134 PolarHBondContact O-N 3.29Å; M130-T134 PolarHBondContact O-OG1 2.95Å; M130-T134 HydrophobicContact SD-CG2 3.59Å; M130-T134 VanDerWaalsContact SD-CG2 3.59Å; M130-I706 HydrophobicContact CB-CD1 3.95Å; M130-I706 HydrophobicContact CG-CD1 3.76Å; M130-I706 HydrophobicContact CG-CG1 3.96Å; M130-V787 HydrophobicContact CE-CG1 3.73Å; M130-V787 HydrophobicContact CG-CB 4.42Å; M130-V787 HydrophobicContact CG-CG1 3.82Å; M130-V787 HydrophobicContact SD-CG1 3.98Å; M130-C789 WeakPolarHBondContact CB-SG 3.5Å
131A78.3Confident80.5Confident7 Ų746.3 Ų46.36%0.05825%0.249CC..Hα-helixtrans-61.3-38.7177.200000111.9S127 D128 H135 V138 I706S127-A131 WeakPolarHBondContact O-CB 3.18Å; S127-A131 PolarHBondContact O-N 2.8Å; D128-A131 PolarHBondContact O-N 3.38Å; A131-H135 VanDerWaalsContact O-CA 3.23Å; A131-H135 WeakPolarHBondContact O-CA 3.17Å; A131-H135 PolarHBondContact O-N 3.26Å; A131-V138 HydrophobicContact CB-CG2 3.7Å; A131-I706 VanDerWaalsContact CA-CD1 3.42Å; A131-I706 HydrophobicContact CB-CD1 3.66Å; A131-I706 VanDerWaalsContact N-CD1 3.3Å
132F74.1Confident80.3Confident112 Ų11245.1 Ų45.149%0.49124%0.242SC..Hα-helixtrans-60.2-48.9171.6175.4-82.2000112.1D128 M130 H135 N213D128-F132 WeakPolarHBondContact O-CB 3.31Å; D128-F132 PolarHBondContact O-N 2.9Å; M130-F132 VanDerWaalsContact C-N 3.3Å; M130-F132 PolarHBondContact O-N 3.41Å; F132-H135 PolarHBondContact O-CE1 2.74Å; F132-N213 HydrophobicContact CD2-CB 4.35Å; F132-N213 VanDerWaalsContact CE2-ND2 3.3Å; F132-N213 WeakPolarHBondContact CE2-ND2 3.28Å
133K74.4Confident80Confident140 Ų14044.3 Ų44.361%0.60924%0.24SC*.Hα-helixtrans-72.9-30.1-175.4-76.7-173.2-174.9-177.70114.4L125 G129 M130L125-K133 HydrophobicContact CD1-CD 3.77Å; G129-K133 WeakPolarHBondContact O-CG 3.25Å; G129-K133 PolarHBondContact O-N 2.86Å; M130-K133 PolarHBondContact O-N 3.19Å; M130-K133 VanDerWaalsContact O-N 3.16Å
134T70.9Confident79.9Confident56 Ų5641.1 Ų41.134%0.34423%0.225SC..Hα-helixtrans-115.6-12.3-16863.70000113.8M130 L136M130-T134 HydrophobicContact CG-CG2 4.37Å; M130-T134 WeakPolarHBondContact O-CB 3.18Å; M130-T134 PolarHBondContact O-N 3.29Å; M130-T134 PolarHBondContact O-OG1 2.95Å; M130-T134 HydrophobicContact SD-CG2 3.59Å; M130-T134 VanDerWaalsContact SD-CG2 3.59Å; T134-L136 PolarHBondContact O-N 3.12Å; T134-L136 VanDerWaalsContact O-N 3.07Å; T134-L136 WeakPolarHBondContact OG1-CG 3.48Å; T134-L136 PolarHBondContact OG1-N 3.47Å
135H74.3Confident80Confident139 Ų13938.3 Ų38.364%0.64420%0.201SC*.  trans54.218.2-170.9-53.1-50.3000114.5A131 F132A131-H135 VanDerWaalsContact O-CA 3.23Å; A131-H135 WeakPolarHBondContact O-CA 3.17Å; A131-H135 PolarHBondContact O-N 3.26Å; F132-H135 PolarHBondContact O-CE1 2.74Å
136L76.3Confident80.2Confident14 Ų1436.5 Ų36.57%0.07319%0.191CC..PPolyproline II helixtrans-72.1147.1178.4-66.6-177.6000111.7T134 P703 I706 P785 V787T134-L136 PolarHBondContact O-N 3.12Å; T134-L136 VanDerWaalsContact O-N 3.07Å; T134-L136 WeakPolarHBondContact OG1-CG 3.48Å; T134-L136 PolarHBondContact OG1-N 3.47Å; L136-P703 HydrophobicContact CD2-CG 4.09Å; L136-I706 HydrophobicContact CB-CD1 4.04Å; L136-I706 HydrophobicContact CB-CG1 4.03Å; L136-P785 HydrophobicContact CD1-CG 4.37Å; L136-V787 HydrophobicContact CD1-CG2 3.91Å
137P82.3Confident80.3Confident3 Ų333 Ų332%0.01917%0.17CC..PPolyproline II helixtrans-68.8138.4177.4-21.337.7000111.8R216 I218 P702 G704 L705 I706P137-R216 WeakPolarHBondContact CA-O 3.48Å; P137-R216 HydrophobicContact CB-CB 4.07Å; P137-R216 HydrophobicContact CB-CG 3.84Å; P137-R216 HydrophobicContact CG-CB 4.31Å; P137-R216 HydrophobicContact CG-CG 4.18Å; P137-I218 HydrophobicContact CB-CD1 4.13Å; P137-I218 HydrophobicContact CB-CG1 4.4Å; P137-P702 HydrophobicContact CG-CB 4Å; P137-P702 HydrophobicContact CG-CG 4.36Å; P137-G704 VanDerWaalsContact CD-O 3.31Å; P137-G704 WeakPolarHBondContact CD-O 3.18Å; P137-L705 HydrophobicContact CB-CD2 4.19Å; P137-L705 HydrophobicContact CG-CD2 4.44Å; P137-I706 PolarHBondContact O-N 3.21Å
138V87.1Confident80.4Confident10 Ų1032.8 Ų32.86%0.06117%0.172CC..EExtended strand (participates in β ladder)trans-91.7119.2175.3179.60000109.2A131 R216 F217 I218 I706A131-V138 HydrophobicContact CB-CG2 3.7Å; V138-R216 PolarHBondContact N-O 3.25Å; V138-F217 HydrophobicContact CB-CD1 3.78Å; V138-F217 HydrophobicContact CB-CE1 3.68Å; V138-F217 HydrophobicContact CG1-CD1 4.03Å; V138-F217 HydrophobicContact CG1-CE1 3.78Å; V138-F217 HydrophobicContact CG2-CE1 4.24Å; V138-F217 CarbonylContact O-C 3.47Å; V138-F217 WeakPolarHBondContact O-CA 3.4Å; V138-I218 PolarHBondContact O-N 2.9Å; V138-I706 HydrophobicContact CG2-CB 4.25Å; V138-I706 HydrophobicContact CG2-CD1 4.11Å; V138-I706 HydrophobicContact CG2-CG2 4.41Å
139V86.4Confident80.4Confident2 Ų234.8 Ų34.81%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-74.5140165.3-176.60000108.1F141 L220 L250 L705 I706V139-F141 HydrophobicContact CG1-CD2 4.33Å; V139-F141 HydrophobicContact CG1-CE2 3.95Å; V139-L220 HydrophobicContact CG1-CD1 3.55Å; V139-L220 HydrophobicContact CG1-CG 4.12Å; V139-L250 HydrophobicContact CG2-CD2 3.99Å; V139-L705 HydrophobicContact CG2-CD2 4.34Å; V139-I706 PolarHBondContact N-O 2.99Å
140H87.4Confident80.7Confident6 Ų633.9 Ų33.93%0.02817%0.171CC..EExtended strand (participates in β ladder)trans-142.7127.7172.717984.2000110.9T158 L161 I218 L219 L220H140-T158 PolarHBondContact NE2-OG1 3.33Å; H140-L161 HydrophobicContact CB-CD2 4.01Å; H140-I218 PolarHBondContact N-O 3.41Å; H140-L219 HydrophobicContact CB-CD2 3.96Å; H140-L219 WeakPolarHBondContact O-CA 3.37Å; H140-L220 PolarHBondContact O-N 3.01Å
141F81.9Confident80.7Confident8 Ų833.4 Ų33.44%0.03517%0.168CC..EExtended strand (participates in β ladder)trans-94.1128.3175.8-65.3-111.8000110.8V139 L220 V246 D708 R725 Q729V139-F141 HydrophobicContact CG1-CD2 4.33Å; V139-F141 HydrophobicContact CG1-CE2 3.95Å; F141-L220 HydrophobicContact CD1-CB 4.15Å; F141-L220 HydrophobicContact CD1-CD1 4.22Å; F141-L220 HydrophobicContact CD2-CD1 4.38Å; F141-L220 HydrophobicContact CE1-CD1 3.86Å; F141-L220 HydrophobicContact CE2-CD1 4.02Å; F141-L220 HydrophobicContact CG-CB 4.39Å; F141-L220 HydrophobicContact CG-CD1 4.48Å; F141-L220 HydrophobicContact CZ-CD1 3.76Å; F141-V246 HydrophobicContact CE1-CG2 3.48Å; F141-V246 VanDerWaalsContact CE1-CG2 3.48Å; F141-V246 HydrophobicContact CZ-CG1 4.49Å; F141-V246 HydrophobicContact CZ-CG2 3.47Å; F141-V246 VanDerWaalsContact CZ-CG2 3.47Å; F141-D708 HydrophobicContact CD2-CB 3.76Å; F141-D708 WeakPolarHBondContact CD2-OD2 3.48Å; F141-D708 HydrophobicContact CE2-CB 4.14Å; F141-D708 PolarHBondContact N-OD2 3.38Å; F141-R725 HydrophobicContact CD2-CG 4.44Å; F141-R725 HydrophobicContact CE2-CG 4.01Å; F141-R725 HydrophobicContact CZ-CG 4.16Å; F141-Q729 HydrophobicContact CE2-CG 3.98Å; F141-Q729 HydrophobicContact CZ-CG 3.89Å
142M81.3Confident80.5Confident3 Ų335 Ų352%0.01518%0.179CC..EExtended strand (participates in β ladder)trans-124.6167.7168.158.7-172.6-177.400109.7V146 T158 F162 L178 L219 L220 N221 G222M142-V146 HydrophobicContact CE-CB 4.24Å; M142-V146 HydrophobicContact CE-CG1 4.19Å; M142-V146 HydrophobicContact CE-CG2 3.74Å; M142-T158 HydrophobicContact CB-CG2 3.79Å; M142-T158 WeakPolarHBondContact CB-OG1 3.37Å; M142-T158 HydrophobicContact SD-CG2 4.03Å; M142-F162 HydrophobicContact SD-CE2 4.37Å; M142-F162 HydrophobicContact SD-CZ 4.38Å; M142-L178 HydrophobicContact CE-CD1 3.49Å; M142-L178 VanDerWaalsContact CE-CD1 3.49Å; M142-L178 HydrophobicContact CE-CG 4.29Å; M142-L219 HydrophobicContact CE-CB 3.75Å; M142-L219 HydrophobicContact CE-CD1 4.19Å; M142-L220 PolarHBondContact N-O 2.89Å; M142-N221 CarbonylContact O-C 3.56Å; M142-N221 WeakPolarHBondContact O-CA 3.14Å; M142-G222 PolarHBondContact O-N 3.48Å
143G78.8Confident80.1Confident11 Ų1129.8 Ų29.811%0.11316%0.157CC..  trans-75.4178.2165.400000110.9R145G143-R145 PolarHBondContact O-N 3.41Å
144S80.6Confident79.7Confident32 Ų3223.7 Ų23.722%0.22413%0.134CC..SBendtrans-55.4-25-173.164.10000115.7R177 L178 N221S144-R177 CarbonylContact O-C 3.49Å; S144-R177 WeakPolarHBondContact O-CA 3.34Å; S144-R177 WeakPolarHBondContact O-CG 3.5Å; S144-R177 PolarHBondContact OG-NE 3.5Å; S144-R177 VanDerWaalsContact OG-NE 3.08Å; S144-R177 PolarHBondContact OG-NH2 2.96Å; S144-L178 WeakPolarHBondContact CB-O 3.4Å; S144-L178 PolarHBondContact O-N 2.74Å; S144-N221 WeakPolarHBondContact CA-OD1 3.38Å; S144-N221 PolarHBondContact N-OD1 3.42Å
145R83Confident79.7Confident65 Ų6524.2 Ų24.225%0.24513%0.134CC..BIsolated β-bridgetrans-81.4118.9176.5-166.5-178.2-155.2-178.712.7111.6W29 D32 G143 G148W29-R145 PolarHBondContact O-NH2 3.38Å; D32-R145 IonicContact OD2-CZ 2.68Å; D32-R145 IonicContact OD2-NH1 2.58Å; D32-R145 PolarHBondContact OD2-NH1 2.87Å; D32-R145 IonicContact OD2-NH2 3.23Å; D32-R145 PolarHBondContact OD2-NH2 2.78Å; G143-R145 PolarHBondContact O-N 3.41Å; R145-G148 PolarHBondContact O-N 3.04Å
146V85.8Confident79.7Confident2 Ų218.3 Ų18.31%0.01211%0.109CC..THydrogen-bonded Turntrans-68.7133.4178-178.60000110M142 G148 F162 V171 I172 C175 P176 L178M142-V146 HydrophobicContact CE-CB 4.24Å; M142-V146 HydrophobicContact CE-CG1 4.19Å; M142-V146 HydrophobicContact CE-CG2 3.74Å; V146-G148 PolarHBondContact O-N 3.12Å; V146-F162 HydrophobicContact CG1-CE1 3.93Å; V146-F162 HydrophobicContact CG1-CZ 3.82Å; V146-V171 HydrophobicContact CG1-CG1 4.23Å; V146-I172 HydrophobicContact CG1-CG1 4.39Å; V146-C175 VanDerWaalsContact CB-O 3.26Å; V146-C175 WeakPolarHBondContact CB-O 3.45Å; V146-C175 WeakPolarHBondContact CG2-O 3.42Å; V146-P176 PolarHBondContact N-O 3.39Å; V146-L178 HydrophobicContact CG2-CG 3.99Å
147G83.2Confident79.8Confident1 Ų119.1 Ų19.11%0.0111%0.112CC..THydrogen-bonded Turntrans79.3-10.9-170.600000114.9E149 L150G147-E149 PolarHBondContact O-N 3.37Å; G147-L150 VanDerWaalsContact O-CB 3.31Å; G147-L150 WeakPolarHBondContact O-CB 3.36Å; G147-L150 PolarHBondContact O-N 3.12Å
148G82.1Confident79.7Confident21 Ų2119.5 Ų19.522%0.21611%0.114CC..THydrogen-bonded Turntrans58-124.1178.400000112.9R145 V146R145-G148 PolarHBondContact O-N 3.04Å; V146-G148 PolarHBondContact O-N 3.12Å
149E80.6Confident79.6Confident61 Ų6119 Ų1929%0.28511%0.112SC..THydrogen-bonded Turntrans-93.314.4-177.8-59.6175.8-17300113.6G147 L151 S152 G153 G154 I155G147-E149 PolarHBondContact O-N 3.37Å; E149-L151 PolarHBondContact O-N 3.11Å; E149-S152 WeakPolarHBondContact CA-OG 3.42Å; E149-S152 PolarHBondContact O-OG 2.9Å; E149-G153 PolarHBondContact O-N 3.35Å; E149-G154 PolarHBondContact O-N 3.35Å; E149-G154 WeakPolarHBondContact OE2-CA 3.16Å; E149-I155 PolarHBondContact OE2-N 2.95Å
150L85Confident79.4Confident1 Ų121.9 Ų21.91%0.00512%0.124CC..THydrogen-bonded Turntrans-51.3-56.1-175.717875.5000112V38 K52 G147 A159 F162 I169 I172V38-L150 VanDerWaalsContact CG2-O 3.24Å; V38-L150 WeakPolarHBondContact CG2-O 3.41Å; K52-L150 HydrophobicContact CD-CD1 4.22Å; K52-L150 PolarHBondContact NZ-O 3.21Å; K52-L150 VanDerWaalsContact NZ-O 3.14Å; G147-L150 VanDerWaalsContact O-CB 3.31Å; G147-L150 WeakPolarHBondContact O-CB 3.36Å; G147-L150 PolarHBondContact O-N 3.12Å; L150-A159 HydrophobicContact CB-CB 4.16Å; L150-A159 HydrophobicContact CD1-CB 4.39Å; L150-A159 WeakPolarHBondContact CD1-O 3.23Å; L150-F162 HydrophobicContact CD1-CB 4.31Å; L150-F162 HydrophobicContact CD2-CB 3.9Å; L150-I169 HydrophobicContact CD2-CD1 3.9Å; L150-I169 HydrophobicContact CD2-CG1 3.71Å; L150-I169 HydrophobicContact CD2-CG2 4.36Å; L150-I172 HydrophobicContact CD2-CD1 4.07Å
151L80.5Confident79.4Confident7 Ų722.3 Ų22.34%0.03713%0.127CC..THydrogen-bonded Turntrans-92.6-19.4-169-62.6175.3000113.3D32 F35 Y37 E149 G153 I172D32-L151 HydrophobicContact CB-CB 4.31Å; D32-L151 VanDerWaalsContact O-CB 3.26Å; D32-L151 WeakPolarHBondContact O-CB 3.49Å; D32-L151 WeakPolarHBondContact O-CD1 3.47Å; F35-L151 HydrophobicContact CD1-CD2 4.05Å; F35-L151 HydrophobicContact CD2-CD2 3.5Å; F35-L151 VanDerWaalsContact CD2-CD2 3.5Å; F35-L151 HydrophobicContact CE1-CD2 4Å; F35-L151 HydrophobicContact CE2-CD2 3.45Å; F35-L151 VanDerWaalsContact CE2-CD2 3.45Å; F35-L151 HydrophobicContact CG-CD2 3.81Å; F35-L151 HydrophobicContact CZ-CD2 3.71Å; Y37-L151 WeakPolarHBondContact CB-O 3.5Å; E149-L151 PolarHBondContact O-N 3.11Å; L151-G153 PolarHBondContact O-N 3.25Å; L151-I172 HydrophobicContact CD1-CD1 3.85Å; L151-I172 HydrophobicContact CG-CD1 4.48Å
152S73.9Confident79.9Confident40 Ų4021.9 Ų21.928%0.2813%0.125SC..THydrogen-bonded Turntrans-82.37170.363.90000113.2E149E149-S152 WeakPolarHBondContact CA-OG 3.42Å; E149-S152 PolarHBondContact O-OG 2.9Å
153G65.4Low80.2Confident3 Ų322 Ų223%0.03113%0.126CC..THydrogen-bonded Turntrans70.730.9173.700000115.6N41 E49 E149 L151N41-G153 PolarHBondContact ND2-O 3.42Å; E49-G153 WeakPolarHBondContact OE2-CA 3.34Å; E149-G153 PolarHBondContact O-N 3.35Å; L151-G153 PolarHBondContact O-N 3.25Å
154G66.8Low80.7Confident12 Ų1223 Ų2312%0.12413%0.127CC..  trans-109.4172.1177.400000114.1K52 E149K52-G154 WeakPolarHBondContact CE-O 3.04Å; K52-G154 PolarHBondContact NZ-O 3.38Å; E149-G154 PolarHBondContact O-N 3.35Å; E149-G154 WeakPolarHBondContact OE2-CA 3.16Å
155I70.1Confident81.2Confident67 Ų6721.5 Ų21.534%0.34412%0.117SC..  trans-112.3111.3-172.3-57.5-179.2000110.3S48 E149 Y714S48-I155 WeakPolarHBondContact OG-CD1 3.28Å; S48-I155 WeakPolarHBondContact OG-CG1 2.99Å; E149-I155 PolarHBondContact OE2-N 2.95Å; I155-Y714 HydrophobicContact CG2-CD1 3.69Å; I155-Y714 HydrophobicContact CG2-CE1 3.7Å
156S75.1Confident81.6Confident16 Ų1618.4 Ų18.411%0.11211%0.105CC..  trans-148.9157.117656.70000111.6T158 A159 H160S156-T158 PolarHBondContact O-N 3.47Å; S156-A159 WeakPolarHBondContact O-CB 3.47Å; S156-A159 PolarHBondContact O-N 3.16Å; S156-A159 WeakPolarHBondContact OG-CB 3.37Å; S156-A159 PolarHBondContact OG-N 2.84Å; S156-H160 PolarHBondContact O-N 2.99Å
157Q78.1Confident81.9Confident31 Ų3118.3 Ų18.315%0.14511%0.105CC..Hα-helixtrans-54.6-39.6175.6-171.6-170.6-22.100112H160 L161 D708 L711 Y714Q157-H160 PolarHBondContact O-N 3.4Å; Q157-L161 PolarHBondContact O-N 3.29Å; Q157-D708 PolarHBondContact NE2-OD1 3.13Å; Q157-L711 HydrophobicContact CG-CD1 4.29Å; Q157-L711 HydrophobicContact CG-CG 4.37Å; Q157-Y714 HydrophobicContact CB-CD2 4.39Å
158T81.6Confident82.4Confident10 Ų1018.2 Ų18.26%0.06110%0.104CC..Hα-helixtrans-65-41.9175-50.70000112.2H140 M142 S156 H160 L161 F162H140-T158 PolarHBondContact NE2-OG1 3.33Å; M142-T158 HydrophobicContact CB-CG2 3.79Å; M142-T158 WeakPolarHBondContact CB-OG1 3.37Å; M142-T158 HydrophobicContact SD-CG2 4.03Å; S156-T158 PolarHBondContact O-N 3.47Å; T158-H160 VanDerWaalsContact C-N 3.35Å; T158-L161 PolarHBondContact O-N 3.31Å; T158-F162 HydrophobicContact CG2-CD2 3.82Å; T158-F162 HydrophobicContact CG2-CE2 3.74Å; T158-F162 VanDerWaalsContact O-CD2 3.29Å; T158-F162 WeakPolarHBondContact O-CD2 3.49Å; T158-F162 PolarHBondContact O-N 3.05Å
159A83.4Confident82.8Confident1 Ų117.4 Ų17.41%0.0089%0.094CC..Hα-helixtrans-64.5-39.2175.100000111.8L150 S156 S163L150-A159 HydrophobicContact CB-CB 4.16Å; L150-A159 HydrophobicContact CD1-CB 4.39Å; L150-A159 WeakPolarHBondContact CD1-O 3.23Å; S156-A159 WeakPolarHBondContact O-CB 3.47Å; S156-A159 PolarHBondContact O-N 3.16Å; S156-A159 WeakPolarHBondContact OG-CB 3.37Å; S156-A159 PolarHBondContact OG-N 2.84Å; A159-S163 WeakPolarHBondContact O-CB 3.49Å; A159-S163 PolarHBondContact O-N 3.01Å; A159-S163 PolarHBondContact O-OG 2.91Å
160H83.3Confident83Confident61 Ų6114.5 Ų14.528%0.2828%0.081SC..Hα-helixtrans-59.5-51.8171.8-173.8106000110.6S156 Q157 T158 F162 S163 K164 Y714S156-H160 PolarHBondContact O-N 2.99Å; Q157-H160 PolarHBondContact O-N 3.4Å; T158-H160 VanDerWaalsContact C-N 3.35Å; H160-F162 PolarHBondContact O-N 3.28Å; H160-S163 PolarHBondContact O-N 3.5Å; H160-S163 PolarHBondContact O-OG 3.43Å; H160-K164 WeakPolarHBondContact O-CB 3.3Å; H160-K164 PolarHBondContact O-N 3.23Å; H160-Y714 HydrophobicContact CB-CD2 4.42Å; H160-Y714 HydrophobicContact CB-CE2 3.73Å; H160-Y714 AromaticContact CG-CE2 3.72Å; H160-Y714 AromaticContact ND1-CE2 3.53Å; H160-Y714 AromaticContact ND1-CZ 3.58Å; H160-Y714 PolarHBondContact ND1-OH 3.02Å
161L87.7Confident83.1Confident15 Ų1514.4 Ų14.48%0.0798%0.081CC..Hα-helixtrans-57-50.7-179.9-175.674.5000112.2H140 Q157 T158 S163 K164 Y165 L168 F217 L219H140-L161 HydrophobicContact CB-CD2 4.01Å; Q157-L161 PolarHBondContact O-N 3.29Å; T158-L161 PolarHBondContact O-N 3.31Å; L161-S163 VanDerWaalsContact C-N 3.29Å; L161-S163 PolarHBondContact O-N 3.38Å; L161-K164 CarbonylContact O-C 3.53Å; L161-K164 PolarHBondContact O-N 3.2Å; L161-K164 VanDerWaalsContact O-N 3.12Å; L161-Y165 HydrophobicContact CD1-CD2 3.71Å; L161-Y165 HydrophobicContact CD1-CE2 3.96Å; L161-Y165 HydrophobicContact CG-CD2 4.38Å; L161-Y165 PolarHBondContact O-N 2.8Å; L161-L168 HydrophobicContact CD2-CD1 4.09Å; L161-L168 HydrophobicContact CG-CD1 4.11Å; L161-F217 HydrophobicContact CD1-CE1 3.69Å; L161-F217 HydrophobicContact CD1-CZ 4.07Å; L161-F217 HydrophobicContact CD2-CD1 4.23Å; L161-F217 HydrophobicContact CD2-CE1 4.19Å; L161-F217 HydrophobicContact CG-CE1 4.43Å; L161-L219 HydrophobicContact CD2-CD2 4.44Å
162F91.2Very high83.4Confident0 Ų014.6 Ų14.60%08%0.082CC..Hα-helixtrans-66.4-30.9-179-83.4-122.7000112.2M142 V146 L150 T158 H160 Y165 P166 L168 I169 I172 L219M142-F162 HydrophobicContact SD-CE2 4.37Å; M142-F162 HydrophobicContact SD-CZ 4.38Å; V146-F162 HydrophobicContact CG1-CE1 3.93Å; V146-F162 HydrophobicContact CG1-CZ 3.82Å; L150-F162 HydrophobicContact CD1-CB 4.31Å; L150-F162 HydrophobicContact CD2-CB 3.9Å; T158-F162 HydrophobicContact CG2-CD2 3.82Å; T158-F162 HydrophobicContact CG2-CE2 3.74Å; T158-F162 VanDerWaalsContact O-CD2 3.29Å; T158-F162 WeakPolarHBondContact O-CD2 3.49Å; T158-F162 PolarHBondContact O-N 3.05Å; H160-F162 PolarHBondContact O-N 3.28Å; F162-Y165 CarbonylContact O-C 3.52Å; F162-P166 WeakPolarHBondContact O-CA 3.13Å; F162-L168 HydrophobicContact CD1-CB 3.61Å; F162-L168 HydrophobicContact CD2-CB 4.22Å; F162-L168 HydrophobicContact CD2-CD1 3.99Å; F162-L168 HydrophobicContact CE1-CB 3.7Å; F162-L168 VanDerWaalsContact CE1-O 3.24Å; F162-L168 WeakPolarHBondContact CE1-O 3.49Å; F162-L168 HydrophobicContact CE2-CB 4.3Å; F162-L168 HydrophobicContact CE2-CD1 4.09Å; F162-L168 HydrophobicContact CG-CB 3.89Å; F162-L168 HydrophobicContact CG-CD1 4.37Å; F162-L168 HydrophobicContact CZ-CB 4.05Å; F162-I169 HydrophobicContact CB-CG1 4.38Å; F162-I169 HydrophobicContact CD1-CG1 4.49Å; F162-I172 HydrophobicContact CD1-CD1 4.13Å; F162-I172 HydrophobicContact CD1-CG1 4.32Å; F162-I172 HydrophobicContact CE1-CD1 4.35Å; F162-I172 HydrophobicContact CE1-CG1 4.06Å; F162-L219 HydrophobicContact CE2-CD1 4.28Å; F162-L219 HydrophobicContact CZ-CD1 4Å
163S88.4Confident83.3Confident6 Ų612.9 Ų12.94%0.0427%0.07CC..Hα-helixtrans-70.3-36.2171.876.90000112.6C55 A159 H160 L161 P166C55-S163 WeakPolarHBondContact CB-O 3.4Å; A159-S163 WeakPolarHBondContact O-CB 3.49Å; A159-S163 PolarHBondContact O-N 3.01Å; A159-S163 PolarHBondContact O-OG 2.91Å; H160-S163 PolarHBondContact O-N 3.5Å; H160-S163 PolarHBondContact O-OG 3.43Å; L161-S163 VanDerWaalsContact C-N 3.29Å; L161-S163 PolarHBondContact O-N 3.38Å; S163-P166 WeakPolarHBondContact O-CG 3.28Å
164K88.2Confident83.8Confident30 Ų3013 Ų1313%0.137%0.069CC..Hα-helixtrans-76.2-24.7179.2-172.7171.2-166.8170.30113.3D128 H160 L161 P192 F193D128-K164 WeakPolarHBondContact OD2-CE 3.24Å; D128-K164 IonicContact OD2-NZ 3.11Å; D128-K164 PolarHBondContact OD2-NZ 3.46Å; H160-K164 WeakPolarHBondContact O-CB 3.3Å; H160-K164 PolarHBondContact O-N 3.23Å; L161-K164 CarbonylContact O-C 3.53Å; L161-K164 PolarHBondContact O-N 3.2Å; L161-K164 VanDerWaalsContact O-N 3.12Å; K164-P192 HydrophobicContact CD-CB 4.13Å; K164-P192 HydrophobicContact CG-CB 3.64Å; K164-F193 PolarHBondContact O-N 2.72Å
165Y91.7Very high84.4Confident1 Ų112.5 Ų12.50%0.0046%0.064CC..SBendtrans-128.173.6177-68-84.8000110.7D128 L161 F162 D167 L168 V189 P192 F217D128-Y165 PolarHBondContact OD1-OH 3.13Å; L161-Y165 HydrophobicContact CD1-CD2 3.71Å; L161-Y165 HydrophobicContact CD1-CE2 3.96Å; L161-Y165 HydrophobicContact CG-CD2 4.38Å; L161-Y165 PolarHBondContact O-N 2.8Å; F162-Y165 CarbonylContact O-C 3.52Å; Y165-D167 PolarHBondContact O-N 3.43Å; Y165-L168 WeakPolarHBondContact O-CB 3.2Å; Y165-L168 WeakPolarHBondContact O-CG 3.36Å; Y165-L168 PolarHBondContact O-N 2.95Å; Y165-V189 HydrophobicContact CD1-CG1 3.81Å; Y165-V189 HydrophobicContact CG-CG1 4.17Å; Y165-P192 HydrophobicContact CE1-CB 4.05Å; Y165-P192 HydrophobicContact CE2-CB 4.09Å; Y165-F217 AromaticContact CD1-CE2 3.94Å; Y165-F217 HydrophobicContact CD1-CE2 3.94Å; Y165-F217 HydrophobicContact CD1-CZ 4.18Å; Y165-F217 HydrophobicContact CD2-CE2 4.28Å; Y165-F217 AromaticContact CD2-CZ 3.81Å; Y165-F217 HydrophobicContact CD2-CZ 3.81Å; Y165-F217 HydrophobicContact CE1-CE2 4.01Å; Y165-F217 HydrophobicContact CE1-CZ 4.02Å; Y165-F217 HydrophobicContact CE2-CE2 4.38Å; Y165-F217 AromaticContact CE2-CZ 3.66Å; Y165-F217 HydrophobicContact CE2-CZ 3.66Å; Y165-F217 HydrophobicContact CG-CE2 4.05Å; Y165-F217 HydrophobicContact CG-CZ 4.07Å; Y165-F217 AromaticContact CZ-CZ 3.75Å
166P91.1Very high84.8Confident0 Ų011.1 Ų11.10%06%0.059CC..G310 helixtrans-61-21.6-169.1-3040.5000115.9I12 V56 Y59 F162 S163 L168 I169I12-P166 WeakPolarHBondContact CD1-O 3.19Å; V56-P166 HydrophobicContact CG2-CB 4.41Å; V56-P166 HydrophobicContact CG2-CG 4.16Å; Y59-P166 HydrophobicContact CD1-CB 3.55Å; Y59-P166 HydrophobicContact CD1-CG 4.14Å; Y59-P166 HydrophobicContact CD2-CB 4.05Å; Y59-P166 HydrophobicContact CD2-CG 4.33Å; Y59-P166 HydrophobicContact CE1-CB 4Å; Y59-P166 HydrophobicContact CE2-CB 4.44Å; Y59-P166 HydrophobicContact CG-CB 3.59Å; Y59-P166 HydrophobicContact CG-CG 3.78Å; F162-P166 WeakPolarHBondContact O-CA 3.13Å; S163-P166 WeakPolarHBondContact O-CG 3.28Å; P166-L168 PolarHBondContact O-N 2.95Å; P166-L168 VanDerWaalsContact O-N 3.09Å; P166-I169 HydrophobicContact CB-CD1 4.02Å; P166-I169 WeakPolarHBondContact O-CB 3.48Å; P166-I169 WeakPolarHBondContact O-CG1 3.47Å; P166-I169 PolarHBondContact O-N 2.66Å
167D91.9Very high85Confident0 Ų015.7 Ų15.70%07%0.074CC..G310 helixtrans-49.9-32.9169.4-86.6-14.4000112.5V8 Y59 L74 Y165 I169 A170 V189 R190V8-D167 HydrophobicContact CG1-CB 4.22Å; V8-D167 WeakPolarHBondContact CG1-OD1 3.28Å; Y59-D167 VanDerWaalsContact CE2-OD1 3.3Å; Y59-D167 WeakPolarHBondContact CE2-OD1 3.39Å; Y59-D167 PolarHBondContact OH-OD1 2.68Å; L74-D167 HydrophobicContact CD1-CB 3.95Å; L74-D167 HydrophobicContact CD2-CB 4.3Å; L74-D167 WeakPolarHBondContact CD2-O 3.21Å; Y165-D167 PolarHBondContact O-N 3.43Å; D167-I169 VanDerWaalsContact C-N 3.26Å; D167-I169 PolarHBondContact O-N 3.09Å; D167-A170 PolarHBondContact O-N 3.22Å; D167-V189 HydrophobicContact CB-CG1 4.12Å; D167-R190 IonicContact OD1-CZ 3.41Å; D167-R190 VanDerWaalsContact OD1-CZ 3.3Å; D167-R190 IonicContact OD1-NE 3.3Å; D167-R190 PolarHBondContact OD1-NE 3.22Å; D167-R190 VanDerWaalsContact OD1-NE 3.11Å; D167-R190 IonicContact OD1-NH2 2.74Å; D167-R190 PolarHBondContact OD1-NH2 2.88Å; D167-R190 WeakPolarHBondContact OD2-CB 3.24Å; D167-R190 VanDerWaalsContact OD2-CG 3.24Å; D167-R190 WeakPolarHBondContact OD2-CG 3.1Å; D167-R190 IonicContact OD2-CZ 3.49Å; D167-R190 PolarHBondContact OD2-N 3.37Å; D167-R190 IonicContact OD2-NE 3.9Å; D167-R190 PolarHBondContact OD2-NE 3.37Å; D167-R190 IonicContact OD2-NH2 3.6Å
168L93.5Very high85.1Confident0 Ų014.2 Ų14.20%07%0.067CC..G310 helixtrans-65.7-25.5176.7-61.7179.8000113.1L161 F162 Y165 P166 A170 V171 V186 V189 L219L161-L168 HydrophobicContact CD2-CD1 4.09Å; L161-L168 HydrophobicContact CG-CD1 4.11Å; F162-L168 HydrophobicContact CD1-CB 3.61Å; F162-L168 HydrophobicContact CD2-CB 4.22Å; F162-L168 HydrophobicContact CD2-CD1 3.99Å; F162-L168 HydrophobicContact CE1-CB 3.7Å; F162-L168 VanDerWaalsContact CE1-O 3.24Å; F162-L168 WeakPolarHBondContact CE1-O 3.49Å; F162-L168 HydrophobicContact CE2-CB 4.3Å; F162-L168 HydrophobicContact CE2-CD1 4.09Å; F162-L168 HydrophobicContact CG-CB 3.89Å; F162-L168 HydrophobicContact CG-CD1 4.37Å; F162-L168 HydrophobicContact CZ-CB 4.05Å; Y165-L168 WeakPolarHBondContact O-CB 3.2Å; Y165-L168 WeakPolarHBondContact O-CG 3.36Å; Y165-L168 PolarHBondContact O-N 2.95Å; P166-L168 PolarHBondContact O-N 2.95Å; P166-L168 VanDerWaalsContact O-N 3.09Å; L168-A170 VanDerWaalsContact C-N 3.29Å; L168-A170 PolarHBondContact O-N 3.48Å; L168-V171 WeakPolarHBondContact O-CB 3.21Å; L168-V171 WeakPolarHBondContact O-CG2 3.46Å; L168-V171 PolarHBondContact O-N 3.25Å; L168-V186 HydrophobicContact CD2-CB 4.09Å; L168-V186 HydrophobicContact CD2-CG1 4.18Å; L168-V186 HydrophobicContact CD2-CG2 3.94Å; L168-V189 HydrophobicContact CD2-CG1 4.21Å; L168-V189 HydrophobicContact CD2-CG2 3.82Å; L168-V189 HydrophobicContact CG-CG1 4.15Å; L168-L219 HydrophobicContact CD2-CD1 4.48Å
169I91.1Very high84.8Confident3 Ų318 Ų182%0.0159%0.09CC..G310 helixtrans-66.1-34.5-179.3-55.9176000110.5I12 F35 V56 L150 F162 P166 D167 V171 I172 P173I12-I169 HydrophobicContact CG1-CB 4.16Å; I12-I169 HydrophobicContact CG1-CG2 4.47Å; F35-I169 HydrophobicContact CE2-CG2 4.39Å; F35-I169 HydrophobicContact CZ-CD1 4.1Å; V56-I169 HydrophobicContact CG2-CD1 3.76Å; L150-I169 HydrophobicContact CD2-CD1 3.9Å; L150-I169 HydrophobicContact CD2-CG1 3.71Å; L150-I169 HydrophobicContact CD2-CG2 4.36Å; F162-I169 HydrophobicContact CB-CG1 4.38Å; F162-I169 HydrophobicContact CD1-CG1 4.49Å; P166-I169 HydrophobicContact CB-CD1 4.02Å; P166-I169 WeakPolarHBondContact O-CB 3.48Å; P166-I169 WeakPolarHBondContact O-CG1 3.47Å; P166-I169 PolarHBondContact O-N 2.66Å; D167-I169 VanDerWaalsContact C-N 3.26Å; D167-I169 PolarHBondContact O-N 3.09Å; I169-V171 PolarHBondContact O-N 3.03Å; I169-V171 VanDerWaalsContact O-N 3.16Å; I169-I172 HydrophobicContact CG2-CD1 4.21Å; I169-I172 WeakPolarHBondContact O-CB 3.29Å; I169-I172 WeakPolarHBondContact O-CG1 3.43Å; I169-I172 PolarHBondContact O-N 3.18Å; I169-I172 VanDerWaalsContact O-N 3.08Å; I169-P173 WeakPolarHBondContact O-CD 3.43Å
170A85.6Confident84.1Confident0 Ų022.2 Ų22.20%011%0.113CC..G310 helixtrans-63.5-18.3174.100000113.2V8 I11 I12 D167 L168 P173 L174V8-A170 HydrophobicContact CB-CB 4.38Å; V8-A170 HydrophobicContact CG1-CB 3.76Å; I11-A170 HydrophobicContact CB-CB 4.38Å; I11-A170 HydrophobicContact CG2-CB 4.14Å; I12-A170 HydrophobicContact CD1-CB 4.26Å; I12-A170 HydrophobicContact CG1-CB 4.2Å; D167-A170 PolarHBondContact O-N 3.22Å; L168-A170 VanDerWaalsContact C-N 3.29Å; L168-A170 PolarHBondContact O-N 3.48Å; A170-P173 WeakPolarHBondContact O-CD 3.39Å; A170-L174 WeakPolarHBondContact O-CD1 3.19Å; A170-L174 VanDerWaalsContact O-CG 3.23Å; A170-L174 WeakPolarHBondContact O-CG 3.49Å
171V87.4Confident83.3Confident0 Ų020 Ų200%011%0.106CC..G310 helixtrans-72.2-28.8174.8-171.80000111.8I76 V146 L168 I169 L174 C175 L184 V186I76-V171 HydrophobicContact CD1-CG2 3.98Å; I76-V171 HydrophobicContact CG1-CG2 4.29Å; V146-V171 HydrophobicContact CG1-CG1 4.23Å; L168-V171 WeakPolarHBondContact O-CB 3.21Å; L168-V171 WeakPolarHBondContact O-CG2 3.46Å; L168-V171 PolarHBondContact O-N 3.25Å; I169-V171 PolarHBondContact O-N 3.03Å; I169-V171 VanDerWaalsContact O-N 3.16Å; V171-L174 WeakPolarHBondContact O-CA 3.3Å; V171-L174 WeakPolarHBondContact O-CB 3.45Å; V171-L174 PolarHBondContact O-N 2.97Å; V171-C175 HydrophobicContact CG1-CB 4.44Å; V171-C175 PolarHBondContact O-N 3.34Å; V171-L184 HydrophobicContact CG1-CD1 3.89Å; V171-L184 HydrophobicContact CG1-CD2 3.7Å; V171-L184 HydrophobicContact CG1-CG 4.48Å; V171-V186 HydrophobicContact CG2-CG2 4.3Å
172I85.9Confident82.8Confident11 Ų1119.7 Ų19.76%0.05610%0.104CC..THydrogen-bonded Turntrans-56.5-52.1-176-57.4175000112.4V146 L150 L151 F162 I169 L174 C175 P176V146-I172 HydrophobicContact CG1-CG1 4.39Å; L150-I172 HydrophobicContact CD2-CD1 4.07Å; L151-I172 HydrophobicContact CD1-CD1 3.85Å; L151-I172 HydrophobicContact CG-CD1 4.48Å; F162-I172 HydrophobicContact CD1-CD1 4.13Å; F162-I172 HydrophobicContact CD1-CG1 4.32Å; F162-I172 HydrophobicContact CE1-CD1 4.35Å; F162-I172 HydrophobicContact CE1-CG1 4.06Å; I169-I172 HydrophobicContact CG2-CD1 4.21Å; I169-I172 WeakPolarHBondContact O-CB 3.29Å; I169-I172 WeakPolarHBondContact O-CG1 3.43Å; I169-I172 PolarHBondContact O-N 3.18Å; I169-I172 VanDerWaalsContact O-N 3.08Å; I172-L174 PolarHBondContact O-N 3.12Å; I172-C175 CarbonylContact O-C 3.57Å; I172-P176 WeakPolarHBondContact O-CA 3.46Å; I172-P176 WeakPolarHBondContact O-CB 3.39Å; I172-P176 WeakPolarHBondContact O-CD 3.37Å; I172-P176 VanDerWaalsContact O-N 3.1Å
173P72.2Confident82.3Confident4 Ų419.8 Ų19.83%0.02610%0.104CC..THydrogen-bonded Turntrans-68.8-17.5175.425.9-34.8000114.5I11 V33 I169 A170 P264 L266I11-P173 HydrophobicContact CG2-CG 3.79Å; V33-P173 HydrophobicContact CG1-CB 3.97Å; V33-P173 HydrophobicContact CG1-CG 4.49Å; I169-P173 WeakPolarHBondContact O-CD 3.43Å; A170-P173 WeakPolarHBondContact O-CD 3.39Å; P173-P264 WeakPolarHBondContact O-CB 3.42Å; P173-L266 HydrophobicContact CB-CD1 3.55Å
174L75.3Confident82.2Confident4 Ų419.5 Ų19.52%0.02110%0.103CC..THydrogen-bonded Turntrans-87.7-35.7-178.1-56.2173.5000112.3M1 L3 I76 A170 V171 I172 P264 W272M1-L174 HydrophobicContact CE-CD1 3.81Å; M1-L174 HydrophobicContact CE-CD2 4.37Å; M1-L174 HydrophobicContact CE-CG 4.47Å; L3-L174 HydrophobicContact CD1-CD1 4.36Å; L3-L174 HydrophobicContact CD2-CD1 3.78Å; I76-L174 HydrophobicContact CD1-CD1 3.52Å; A170-L174 WeakPolarHBondContact O-CD1 3.19Å; A170-L174 VanDerWaalsContact O-CG 3.23Å; A170-L174 WeakPolarHBondContact O-CG 3.49Å; V171-L174 WeakPolarHBondContact O-CA 3.3Å; V171-L174 WeakPolarHBondContact O-CB 3.45Å; V171-L174 PolarHBondContact O-N 2.97Å; I172-L174 PolarHBondContact O-N 3.12Å; L174-P264 HydrophobicContact CD2-CG 4Å; L174-W272 HydrophobicContact CD2-CH2 3.43Å; L174-W272 VanDerWaalsContact CD2-CH2 3.43Å; L174-W272 HydrophobicContact CD2-CZ2 3.65Å
175C80Confident82.2Confident3 Ų318.1 Ų18.12%0.0210%0.097CC..  trans-148.576.8-179.3-172.10000108.5V146 V171 I172 R177 L184V146-C175 VanDerWaalsContact CB-O 3.26Å; V146-C175 WeakPolarHBondContact CB-O 3.45Å; V146-C175 WeakPolarHBondContact CG2-O 3.42Å; V171-C175 HydrophobicContact CG1-CB 4.44Å; V171-C175 PolarHBondContact O-N 3.34Å; I172-C175 CarbonylContact O-C 3.57Å; C175-R177 PolarHBondContact O-N 3.05Å; C175-L184 HydrophobicContact CB-CD1 3.8Å
176P77.6Confident82Confident37 Ų3718.1 Ų18.124%0.2410%0.096CC..SBendtrans-68.9-19.9-173.626-35.3000113.5L30 V146 I172L30-P176 HydrophobicContact CD2-CB 4.26Å; L30-P176 HydrophobicContact CD2-CG 4.06Å; V146-P176 PolarHBondContact N-O 3.39Å; I172-P176 WeakPolarHBondContact O-CA 3.46Å; I172-P176 WeakPolarHBondContact O-CB 3.39Å; I172-P176 WeakPolarHBondContact O-CD 3.37Å; I172-P176 VanDerWaalsContact O-N 3.1Å
177R80.2Confident81.7Confident112 Ų11218.3 Ų18.342%0.42310%0.097SC..BIsolated β-bridgetrans-143.1136.8179.9-157.4178.7-176.7178.3-4.4112S144 C175S144-R177 CarbonylContact O-C 3.49Å; S144-R177 WeakPolarHBondContact O-CA 3.34Å; S144-R177 WeakPolarHBondContact O-CG 3.5Å; S144-R177 PolarHBondContact OG-NE 3.5Å; S144-R177 VanDerWaalsContact OG-NE 3.08Å; S144-R177 PolarHBondContact OG-NH2 2.96Å; C175-R177 PolarHBondContact O-N 3.05Å
178L79.3Confident81.4Confident0 Ų020.9 Ų20.90%011%0.11CC..PPolyproline II helixtrans-97.2138.3164.7-64.3179.3000109.7M142 S144 V146 E182 L184 N221M142-L178 HydrophobicContact CE-CD1 3.49Å; M142-L178 VanDerWaalsContact CE-CD1 3.49Å; M142-L178 HydrophobicContact CE-CG 4.29Å; S144-L178 WeakPolarHBondContact CB-O 3.4Å; S144-L178 PolarHBondContact O-N 2.74Å; V146-L178 HydrophobicContact CG2-CG 3.99Å; L178-E182 HydrophobicContact CB-CB 4.24Å; L178-E182 HydrophobicContact CD2-CB 4.09Å; L178-L184 HydrophobicContact CD1-CB 4.36Å; L178-L184 HydrophobicContact CD2-CB 4.08Å; L178-L184 HydrophobicContact CD2-CD1 4.34Å; L178-N221 HydrophobicContact CB-CB 3.9Å; L178-N221 HydrophobicContact CD1-CB 4.34Å
179V75.2Confident81.1Confident91 Ų9120.9 Ų20.955%0.55211%0.11SC*.PPolyproline II helixtrans-87.5169170.5-174.40000109.4G181 E182 N221V179-G181 PolarHBondContact O-N 3.11Å; V179-E182 HydrophobicContact CB-CG 4.02Å; V179-E182 WeakPolarHBondContact CB-OE2 3.25Å; V179-E182 WeakPolarHBondContact CG2-OE2 3.25Å; V179-E182 PolarHBondContact N-OE2 3.11Å; V179-E182 WeakPolarHBondContact O-CB 3.3Å; V179-E182 PolarHBondContact O-N 2.7Å; V179-N221 VanDerWaalsContact C-ND2 3.27Å; V179-N221 PolarHBondContact O-ND2 3.42Å; V179-N221 VanDerWaalsContact O-ND2 3.09Å
180D69.5Low80.9Confident89 Ų8920.9 Ų20.948%0.47611%0.109SC..THydrogen-bonded Turntrans-58.6133.9172.4-64-6.6000110.9E182 N221 R241D180-E182 PolarHBondContact O-N 2.86Å; D180-N221 PolarHBondContact N-ND2 3.25Å; D180-N221 PolarHBondContact OD1-ND2 2.99Å; D180-R241 IonicContact OD1-NH2 2.72Å; D180-R241 IonicContact OD2-CZ 3.93Å; D180-R241 IonicContact OD2-NE 2.94Å; D180-R241 IonicContact OD2-NH2 2.97Å; D180-R241 PolarHBondContact OD2-NH2 2.87Å
181G67.3Low80.7Confident13 Ų1320.9 Ų20.913%0.13411%0.11CC..THydrogen-bonded Turntrans75.71.4-174.800000114.5W81 V179W81-G181 PolarHBondContact N-O 3.23Å; V179-G181 PolarHBondContact O-N 3.11Å
182E76.5Confident80.6Confident10 Ų1023.5 Ų23.55%0.04713%0.126CC..EExtended strand (participates in β ladder)trans-92.3139.2167.1-61.9-164.5118.900111.9R78 R79 V80 L178 V179 D180R78-E182 IonicContact CZ-OE1 2.88Å; R78-E182 VanDerWaalsContact CZ-OE1 3.23Å; R78-E182 IonicContact CZ-OE2 3.48Å; R78-E182 IonicContact NE-OE1 3.13Å; R78-E182 PolarHBondContact NE-OE1 3.26Å; R78-E182 IonicContact NE-OE2 2.62Å; R78-E182 IonicContact NH2-OE1 2.72Å; R78-E182 PolarHBondContact NH2-OE1 2.96Å; R78-E182 IonicContact NH2-OE2 3.52Å; R78-E182 PolarHBondContact NH2-OE2 3.18Å; R79-E182 WeakPolarHBondContact O-CA 3.42Å; V80-E182 HydrophobicContact CB-CG 4.47Å; V80-E182 HydrophobicContact CG1-CG 4.15Å; V80-E182 HydrophobicContact CG2-CG 4.09Å; V80-E182 VanDerWaalsContact CG2-OE1 3.3Å; V80-E182 WeakPolarHBondContact CG2-OE1 3.42Å; L178-E182 HydrophobicContact CB-CB 4.24Å; L178-E182 HydrophobicContact CD2-CB 4.09Å; V179-E182 HydrophobicContact CB-CG 4.02Å; V179-E182 WeakPolarHBondContact CB-OE2 3.25Å; V179-E182 WeakPolarHBondContact CG2-OE2 3.25Å; V179-E182 PolarHBondContact N-OE2 3.11Å; V179-E182 WeakPolarHBondContact O-CB 3.3Å; V179-E182 PolarHBondContact O-N 2.7Å; D180-E182 PolarHBondContact O-N 2.86Å
183T81.1Confident80.5Confident1 Ų123.3 Ų23.31%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-139.2155178.364.80000109.5R79 L219 L220R79-T183 PolarHBondContact N-O 3.48Å; R79-T183 PolarHBondContact O-N 2.81Å; T183-L219 WeakPolarHBondContact CA-O 3.34Å; T183-L220 HydrophobicContact CG2-CD2 3.46Å; T183-L220 VanDerWaalsContact CG2-CD2 3.46Å
184L86.4Confident80.6Confident1 Ų127.1 Ų27.11%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-135.1111.1-171.6-170.1142.3000110.6I76 R78 V171 C175 L178 V186 L219I76-L184 HydrophobicContact CG2-CD1 4.16Å; I76-L184 HydrophobicContact CG2-CD2 4.18Å; I76-L184 HydrophobicContact CG2-CG 4.2Å; R78-L184 HydrophobicContact CB-CD1 4.43Å; V171-L184 HydrophobicContact CG1-CD1 3.89Å; V171-L184 HydrophobicContact CG1-CD2 3.7Å; V171-L184 HydrophobicContact CG1-CG 4.48Å; C175-L184 HydrophobicContact CB-CD1 3.8Å; L178-L184 HydrophobicContact CD1-CB 4.36Å; L178-L184 HydrophobicContact CD2-CB 4.08Å; L178-L184 HydrophobicContact CD2-CD1 4.34Å; L184-V186 HydrophobicContact CD2-CG2 3.36Å; L184-L219 HydrophobicContact CD2-CD1 4.11Å; L184-L219 PolarHBondContact N-O 2.88Å; L184-L219 WeakPolarHBondContact O-CB 3.22Å; L184-L219 PolarHBondContact O-N 3.42Å
185W86.7Confident80Confident1 Ų128.7 Ų28.70%0.00416%0.156CC..EExtended strand (participates in β ladder)trans-86.8132.1175.5-71.545.7000108.9I76 S77 R79 F217 I218 G249 P702I76-W185 WeakPolarHBondContact CA-O 3.35Å; S77-W185 PolarHBondContact N-O 3.39Å; S77-W185 PolarHBondContact O-N 2.84Å; R79-W185 VanDerWaalsContact CZ-CD2 3.41Å; R79-W185 VanDerWaalsContact NH1-CZ2 3.26Å; W185-F217 WeakPolarHBondContact CA-O 3.41Å; W185-I218 HydrophobicContact CD2-CD1 4.25Å; W185-I218 HydrophobicContact CD2-CG1 3.93Å; W185-I218 HydrophobicContact CE3-CD1 4.45Å; W185-I218 HydrophobicContact CE3-CG1 4.32Å; W185-I218 HydrophobicContact CG-CG1 4.31Å; W185-I218 HydrophobicContact CH2-CD1 3.91Å; W185-I218 HydrophobicContact CZ2-CD1 3.64Å; W185-I218 HydrophobicContact CZ2-CG1 4.21Å; W185-I218 HydrophobicContact CZ3-CD1 4.3Å; W185-G249 WeakPolarHBondContact CZ2-O 3.49Å; W185-G249 PolarHBondContact NE1-O 3.32Å; W185-P702 HydrophobicContact CH2-CG 3.62Å; W185-P702 HydrophobicContact CZ3-CG 4.18Å
186V88.6Confident78.9Confident0 Ų037.1 Ų37.10%019%0.194CC..EExtended strand (participates in β ladder)trans-125.5110172.3-160.80000108.6L74 L75 I76 L168 V171 L184 V189 R216 F217 L219L74-V186 HydrophobicContact CD1-CG1 3.52Å; L74-V186 HydrophobicContact CD2-CG1 3.97Å; L74-V186 HydrophobicContact CG-CG1 3.61Å; L75-V186 WeakPolarHBondContact O-CA 3.48Å; I76-V186 HydrophobicContact CG1-CG1 4.27Å; L168-V186 HydrophobicContact CD2-CB 4.09Å; L168-V186 HydrophobicContact CD2-CG1 4.18Å; L168-V186 HydrophobicContact CD2-CG2 3.94Å; V171-V186 HydrophobicContact CG2-CG2 4.3Å; L184-V186 HydrophobicContact CD2-CG2 3.36Å; V186-V189 HydrophobicContact CB-CG2 3.74Å; V186-V189 HydrophobicContact CG1-CG2 3.43Å; V186-V189 VanDerWaalsContact CG1-CG2 3.43Å; V186-R216 WeakPolarHBondContact O-CA 3.37Å; V186-F217 PolarHBondContact N-O 3.19Å; V186-F217 PolarHBondContact O-N 3.15Å; V186-L219 HydrophobicContact CG2-CD1 4.27Å
187D84.6Confident77.6Confident4 Ų437.3 Ų37.32%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-98.7149.8176.8-45.1-18.5000110.3L75 R216L75-D187 HydrophobicContact CB-CB 4.11Å; L75-D187 PolarHBondContact N-O 3.27Å; L75-D187 PolarHBondContact O-N 2.92Å; D187-R216 WeakPolarHBondContact OD1-CD 3.39Å; D187-R216 WeakPolarHBondContact OD1-CG 3.31Å; D187-R216 IonicContact OD1-CZ 2.74Å; D187-R216 IonicContact OD1-NE 3.62Å; D187-R216 PolarHBondContact OD1-NE 3.16Å; D187-R216 IonicContact OD1-NH2 3.6Å; D187-R216 IonicContact OD2-CZ 2.76Å; D187-R216 IonicContact OD2-NE 3.6Å; D187-R216 PolarHBondContact OD2-NE 3.49Å; D187-R216 IonicContact OD2-NH2 2.72Å; D187-R216 PolarHBondContact OD2-NH2 3.49Å
188H85.1Confident75.6Confident55 Ų5535.2 Ų35.226%0.25520%0.196SC..EExtended strand (participates in β ladder)trans6536.4179.7-39.8-60.3000113.8Y5 R190 W214 S215Y5-H188 WeakPolarHBondContact OH-CB 3.42Å; Y5-H188 PolarHBondContact OH-O 3.32Å; H188-R190 PolarHBondContact O-N 2.69Å; H188-W214 HydrophobicContact CB-CD2 4.26Å; H188-W214 HydrophobicContact CB-CE3 4.1Å; H188-W214 HydrophobicContact CB-CZ3 4.37Å; H188-W214 AromaticContact CG-CE3 3.99Å; H188-W214 AromaticContact ND1-CE3 3.47Å; H188-W214 AromaticContact ND1-CZ3 3.74Å; H188-S215 PolarHBondContact N-O 2.97Å; H188-S215 VanDerWaalsContact N-O 3.09Å
189V88.2Confident73.5Confident0 Ų038.9 Ų38.90%023%0.234CC..EExtended strand (participates in β ladder)trans-69.3123.7170.5179.20000109L74 Y165 D167 L168 V186 S215 F217L74-V189 HydrophobicContact CD1-CB 4.41Å; L74-V189 HydrophobicContact CD1-CG2 3.83Å; Y165-V189 HydrophobicContact CD1-CG1 3.81Å; Y165-V189 HydrophobicContact CG-CG1 4.17Å; D167-V189 HydrophobicContact CB-CG1 4.12Å; L168-V189 HydrophobicContact CD2-CG1 4.21Å; L168-V189 HydrophobicContact CD2-CG2 3.82Å; L168-V189 HydrophobicContact CG-CG1 4.15Å; V186-V189 HydrophobicContact CB-CG2 3.74Å; V186-V189 HydrophobicContact CG1-CG2 3.43Å; V186-V189 VanDerWaalsContact CG1-CG2 3.43Å; V189-S215 PolarHBondContact N-O 2.97Å; V189-S215 PolarHBondContact O-N 2.96Å; V189-F217 HydrophobicContact CB-CD2 3.89Å; V189-F217 HydrophobicContact CB-CE2 4.08Å; V189-F217 HydrophobicContact CG1-CD2 3.99Å; V189-F217 HydrophobicContact CG1-CE2 3.87Å; V189-F217 HydrophobicContact CG2-CD2 3.82Å; V189-F217 HydrophobicContact CG2-CE2 4.49Å
190R86.3Confident71.6Confident2 Ų241.2 Ų41.21%0.00824%0.243CC..EExtended strand (participates in β ladder)trans-80.4134.2178.9-63173.3-71.5-179.6-5.1111.1Y5 S9 Y59 C63 D167 H188 F193 V212 N213Y5-R190 VanDerWaalsContact CD1-NE 3.35Å; Y5-R190 HydrophobicContact CE1-CG 3.95Å; S9-R190 PolarHBondContact OG-NH2 3Å; Y59-R190 PolarHBondContact OH-NH2 3.34Å; C63-R190 PolarHBondContact SG-NH1 3.1Å; C63-R190 VanDerWaalsContact SG-NH1 3.37Å; D167-R190 IonicContact OD1-CZ 3.41Å; D167-R190 VanDerWaalsContact OD1-CZ 3.3Å; D167-R190 IonicContact OD1-NE 3.3Å; D167-R190 PolarHBondContact OD1-NE 3.22Å; D167-R190 VanDerWaalsContact OD1-NE 3.11Å; D167-R190 IonicContact OD1-NH2 2.74Å; D167-R190 PolarHBondContact OD1-NH2 2.88Å; D167-R190 WeakPolarHBondContact OD2-CB 3.24Å; D167-R190 VanDerWaalsContact OD2-CG 3.24Å; D167-R190 WeakPolarHBondContact OD2-CG 3.1Å; D167-R190 IonicContact OD2-CZ 3.49Å; D167-R190 PolarHBondContact OD2-N 3.37Å; D167-R190 IonicContact OD2-NE 3.9Å; D167-R190 PolarHBondContact OD2-NE 3.37Å; D167-R190 IonicContact OD2-NH2 3.6Å; H188-R190 PolarHBondContact O-N 2.69Å; R190-F193 HydrophobicContact CB-CE2 4.3Å; R190-F193 WeakPolarHBondContact O-CE2 3.42Å; R190-V212 HydrophobicContact CB-CG1 3.75Å; R190-V212 HydrophobicContact CG-CG1 4.29Å; R190-N213 WeakPolarHBondContact CA-O 3.24Å
191G82.2Confident70Confident1 Ų142.4 Ų42.41%0.0126%0.258CS..EExtended strand (participates in β ladder)trans153-157.9170.200000113.8N213G191-N213 PolarHBondContact N-O 2.88Å; G191-N213 VanDerWaalsContact N-O 3.16Å; G191-N213 PolarHBondContact O-N 2.89Å
192P84.3Confident68.5Low54 Ų5445 Ų4535%0.35127%0.271SS..  cis-72.6151.4-5.629.1-34000113.3K164 Y165K164-P192 HydrophobicContact CD-CB 4.13Å; K164-P192 HydrophobicContact CG-CB 3.64Å; Y165-P192 HydrophobicContact CE1-CB 4.05Å; Y165-P192 HydrophobicContact CE2-CB 4.09Å
193F83.3Confident66.7Low8 Ų852.7 Ų52.74%0.03530%0.304CS..  trans-104.6138168.6-64.5-88.6000109.7C55 Y59 Y62 K164 R190 V212C55-F193 HydrophobicContact CB-CB 4.44Å; C55-F193 PolarHBondContact SG-O 3.45Å; Y59-F193 HydrophobicContact CD2-CD2 4.2Å; Y59-F193 AromaticContact CD2-CE2 3.68Å; Y59-F193 HydrophobicContact CD2-CE2 3.68Å; Y59-F193 AromaticContact CD2-CZ 3.97Å; Y59-F193 HydrophobicContact CD2-CZ 3.97Å; Y59-F193 HydrophobicContact CG-CE2 4.38Å; Y62-F193 HydrophobicContact CD1-CE1 4.21Å; Y62-F193 AromaticContact CD1-CZ 3.8Å; Y62-F193 HydrophobicContact CD1-CZ 3.8Å; Y62-F193 AromaticContact CG-CE1 4Å; Y62-F193 HydrophobicContact CG-CE1 4Å; Y62-F193 HydrophobicContact CG-CZ 4.07Å; K164-F193 PolarHBondContact O-N 2.72Å; R190-F193 HydrophobicContact CB-CE2 4.3Å; R190-F193 WeakPolarHBondContact O-CE2 3.42Å; F193-V212 HydrophobicContact CE1-CG2 4.2Å; F193-V212 HydrophobicContact CE2-CG1 4.48Å; F193-V212 HydrophobicContact CZ-CG1 4.02Å; F193-V212 HydrophobicContact CZ-CG2 4.02Å
194L76Confident64.8Low84 Ų8455.2 Ų55.244%0.4432%0.32SS..  trans-123149.5-171.3-66.7175.9000112Q196 A197L194-Q196 PolarHBondContact O-N 3.13Å; L194-A197 PolarHBondContact O-N 3.32Å
195P62.4Low62.4Low37 Ų3760.2 Ų60.224%0.2435%0.347CS..G310 helixtrans-64.2-17.8-173.3-20.731.4000114.8N51 R54 C55N51-P195 HydrophobicContact CB-CB 4.08Å; N51-P195 HydrophobicContact CB-CG 3.88Å; R54-P195 HydrophobicContact CB-CB 3.97Å; C55-P195 WeakPolarHBondContact SG-CD 3.25Å; C55-P195 VanDerWaalsContact SG-CG 3.6Å; C55-P195 VanDerWaalsContact SG-N 3.45Å
196Q57.2Low60.2Low179 Ų17969 Ų6984%0.83638%0.381SS*.G310 helixtrans-87-4.3-172.6-66.5165.9-15.300113.5L194L194-Q196 PolarHBondContact O-N 3.13Å
197A50.2Low57.9Low41 Ų4172.9 Ų72.934%0.33941%0.408SS..G310 helixtrans-76.4-19.7-177.100000114.3L194 G199L194-A197 PolarHBondContact O-N 3.32Å; A197-G199 PolarHBondContact O-N 2.89Å
198L37.5Very low56.1Low68 Ų6875.8 Ų75.836%0.35642%0.421SS..THydrogen-bonded Turntrans-73.6125.2-175.3-97.5161.6000112.9R54 I57R54-L198 HydrophobicContact CB-CD1 3.85Å; R54-L198 HydrophobicContact CG-CD1 3.71Å; I57-L198 HydrophobicContact CB-CD1 4.09Å; I57-L198 HydrophobicContact CD1-CD1 4.31Å; I57-L198 HydrophobicContact CG2-CD1 3.93Å; I57-L198 HydrophobicContact CG2-CD2 3.92Å; I57-L198 HydrophobicContact CG2-CG 4.34Å
199G34.2Very low54.5Low78 Ų7876.2 Ų76.280%0.80442%0.423SS*.THydrogen-bonded Turntrans113.7-18.6174.800000114.3A197 S201A197-G199 PolarHBondContact O-N 2.89Å; G199-S201 PolarHBondContact O-N 3.45Å
200L35.1Very low52.7Low139 Ų13984 Ų8473%0.72846%0.457SS*.SBendtrans-73121.4159.4-74.4171.3000108.1V202L200-V202 HydrophobicContact CB-CG2 4.14Å; L200-V202 PolarHBondContact O-N 3.09Å
201S36.1Very low51.1Low115 Ų11586.5 Ų86.580%0.80448%0.478SS*.  trans-69.982.8164.862.70000108.2G199 K203G199-S201 PolarHBondContact O-N 3.45Å; S201-K203 PolarHBondContact O-N 2.93Å
202V37.3Very low50.2Low67 Ų6787.1 Ų87.141%0.40648%0.482SS..  trans-66.788.9173.7-177.80000107.3L200 T204 F208L200-V202 HydrophobicContact CB-CG2 4.14Å; L200-V202 PolarHBondContact O-N 3.09Å; V202-T204 HydrophobicContact CG1-CG2 4.38Å; V202-T204 PolarHBondContact O-N 2.82Å; V202-T204 VanDerWaalsContact O-N 3.13Å; V202-F208 HydrophobicContact CG1-CB 4.35Å; V202-F208 HydrophobicContact CG1-CD2 3.91Å; V202-F208 HydrophobicContact CG1-CE2 4.43Å; V202-F208 HydrophobicContact CG1-CG 4.1Å
203K37.6Very low49.4Very low171 Ų17186.1 Ų86.174%0.74347%0.473SS*.  trans-48.1119147.3-69.5-179.4177.6179.20105.1S201 D205S201-K203 PolarHBondContact O-N 2.93Å; K203-D205 PolarHBondContact O-N 2.89Å
204T41.9Very low49.1Very low55 Ų5590.4 Ų90.434%0.33749%0.489SS..  trans-74.270-179.831.50000110.3S65 V202S65-T204 PolarHBondContact O-OG1 3.02Å; S65-T204 VanDerWaalsContact OG-CG2 3.28Å; S65-T204 WeakPolarHBondContact OG-CG2 3.41Å; V202-T204 HydrophobicContact CG1-CG2 4.38Å; V202-T204 PolarHBondContact O-N 2.82Å; V202-T204 VanDerWaalsContact O-N 3.13Å
205D36.3Very low49.4Very low105 Ų10587.2 Ų87.256%0.56147%0.474SS*.  trans-54.9145.7161.2-70.2-19.4000108.4K203 S207 F208K203-D205 PolarHBondContact O-N 2.89Å; D205-S207 PolarHBondContact O-N 3.39Å; D205-F208 PolarHBondContact O-N 2.93Å
206Y39.9Very low50.5Low186 Ų18687.3 Ų87.373%0.72947%0.469SS*.Hα-helixtrans-56.5-10.8-176.5-125.9-79.4000114.4K210Y206-K210 WeakPolarHBondContact O-CG 3.31Å
207S39.6Very low52Low81 Ų8178.8 Ų78.857%0.56643%0.43SS*.Hα-helixtrans-69.5-34.9171.548.60000113.3D205 K210 A211D205-S207 PolarHBondContact O-N 3.39Å; S207-K210 CarbonylContact O-C 3.59Å; S207-K210 WeakPolarHBondContact O-CB 3.49Å; S207-K210 PolarHBondContact O-N 3.34Å; S207-A211 WeakPolarHBondContact O-CB 3.03Å; S207-A211 PolarHBondContact O-N 2.86Å
208F48.1Very low53.8Low66 Ų6676.9 Ų76.929%0.28941%0.413SS..Hα-helixtrans-78.2-38.7-175.6-157.5-82.9000112.5Y62 V202 D205 K210 A211 V212Y62-F208 AromaticContact CD2-CD1 3.67Å; Y62-F208 HydrophobicContact CD2-CD1 3.67Å; Y62-F208 AromaticContact CD2-CE1 3.7Å; Y62-F208 HydrophobicContact CD2-CE1 3.7Å; Y62-F208 HydrophobicContact CE2-CD1 4.05Å; Y62-F208 HydrophobicContact CE2-CE1 4.41Å; Y62-F208 HydrophobicContact CG-CE1 4.38Å; V202-F208 HydrophobicContact CG1-CB 4.35Å; V202-F208 HydrophobicContact CG1-CD2 3.91Å; V202-F208 HydrophobicContact CG1-CE2 4.43Å; V202-F208 HydrophobicContact CG1-CG 4.1Å; D205-F208 PolarHBondContact O-N 2.93Å; F208-K210 PolarHBondContact O-N 2.82Å; F208-A211 WeakPolarHBondContact O-CB 3.48Å; F208-A211 PolarHBondContact O-N 2.94Å; F208-V212 HydrophobicContact CD1-CG2 4.09Å; F208-V212 HydrophobicContact CE1-CG2 3.81Å; F208-V212 PolarHBondContact O-N 2.94Å; F208-V212 VanDerWaalsContact O-N 3.09Å
209E51.4Low56.2Low63 Ų6373.6 Ų73.629%0.29440%0.397SS..Hα-helixtrans-62.5-26.9168.4-75-169.8157.700112.4Y62 S66 K67Y62-E209 HydrophobicContact CE2-CG 4.25Å; S66-E209 WeakPolarHBondContact CA-OE1 3.45Å; S66-E209 WeakPolarHBondContact CB-OE1 3.47Å; K67-E209 PolarHBondContact N-OE1 3.46Å
210K50.8Low58.6Low164 Ų16469.9 Ų69.971%0.71336%0.358SS*.Hα-helixtrans-79.6-20.2169.9-78.5-175.8173.5-175.50114Y206 S207 F208Y206-K210 WeakPolarHBondContact O-CG 3.31Å; S207-K210 CarbonylContact O-C 3.59Å; S207-K210 WeakPolarHBondContact O-CB 3.49Å; S207-K210 PolarHBondContact O-N 3.34Å; F208-K210 PolarHBondContact O-N 2.82Å
211A51Low60.8Low55 Ų5563.7 Ų63.746%0.45533%0.326SS..Hα-helixtrans-84.5-33.9-179.800000112.3S207 F208 N213S207-A211 WeakPolarHBondContact O-CB 3.03Å; S207-A211 PolarHBondContact O-N 2.86Å; F208-A211 WeakPolarHBondContact O-CB 3.48Å; F208-A211 PolarHBondContact O-N 2.94Å; A211-N213 PolarHBondContact O-N 2.84Å; A211-N213 PolarHBondContact O-ND2 2.93Å
212V63.5Low62.6Low14 Ų1458.3 Ų58.39%0.08529%0.289CS..SBendtrans-70.999.3174.3177.60000109.6Y62 R190 F193 F208Y62-V212 HydrophobicContact CD1-CG1 4.42Å; Y62-V212 HydrophobicContact CD1-CG2 4.28Å; Y62-V212 HydrophobicContact CD2-CG2 3.78Å; Y62-V212 HydrophobicContact CE1-CB 4.2Å; Y62-V212 HydrophobicContact CE1-CG1 3.82Å; Y62-V212 HydrophobicContact CE1-CG2 4.1Å; Y62-V212 HydrophobicContact CE2-CB 4.06Å; Y62-V212 HydrophobicContact CE2-CG2 3.55Å; Y62-V212 HydrophobicContact CG-CG2 4.12Å; R190-V212 HydrophobicContact CB-CG1 3.75Å; R190-V212 HydrophobicContact CG-CG1 4.29Å; F193-V212 HydrophobicContact CE1-CG2 4.2Å; F193-V212 HydrophobicContact CE2-CG1 4.48Å; F193-V212 HydrophobicContact CZ-CG1 4.02Å; F193-V212 HydrophobicContact CZ-CG2 4.02Å; F208-V212 HydrophobicContact CD1-CG2 4.09Å; F208-V212 HydrophobicContact CE1-CG2 3.81Å; F208-V212 PolarHBondContact O-N 2.94Å; F208-V212 VanDerWaalsContact O-N 3.09Å
213N67.4Low64.2Low33 Ų3356.5 Ų56.518%0.17628%0.276CS..EExtended strand (participates in β ladder)trans-84.9161.8-176.5-87.4-101.2000111.9F132 R190 G191 A211F132-N213 HydrophobicContact CD2-CB 4.35Å; F132-N213 VanDerWaalsContact CE2-ND2 3.3Å; F132-N213 WeakPolarHBondContact CE2-ND2 3.28Å; R190-N213 WeakPolarHBondContact CA-O 3.24Å; G191-N213 PolarHBondContact N-O 2.88Å; G191-N213 VanDerWaalsContact N-O 3.16Å; G191-N213 PolarHBondContact O-N 2.89Å; A211-N213 PolarHBondContact O-N 2.84Å; A211-N213 PolarHBondContact O-ND2 2.93Å
214W77.9Confident65.6Low98 Ų9852.6 Ų52.637%0.37126%0.261SS..EExtended strand (participates in β ladder)trans-106.4104.8-178.7-75.311000109.5Y5 K72 H188Y5-W214 AromaticContact CE2-CZ2 3.95Å; Y5-W214 HydrophobicContact CE2-CZ2 3.95Å; K72-W214 HydrophobicContact CB-CH2 4.1Å; K72-W214 HydrophobicContact CB-CZ2 4.39Å; K72-W214 HydrophobicContact CD-CH2 3.46Å; K72-W214 VanDerWaalsContact CD-CH2 3.46Å; K72-W214 HydrophobicContact CD-CZ2 3.81Å; K72-W214 VanDerWaalsContact CE-CH2 3.44Å; K72-W214 HydrophobicContact CG-CH2 3.92Å; K72-W214 HydrophobicContact CG-CZ2 4.5Å; K72-W214 VanDerWaalsContact NZ-CH2 3.26Å; H188-W214 HydrophobicContact CB-CD2 4.26Å; H188-W214 HydrophobicContact CB-CE3 4.1Å; H188-W214 HydrophobicContact CB-CZ3 4.37Å; H188-W214 AromaticContact CG-CE3 3.99Å; H188-W214 AromaticContact ND1-CE3 3.47Å; H188-W214 AromaticContact ND1-CZ3 3.74Å
215S82.3Confident66.8Low16 Ų1651.1 Ų51.111%0.11225%0.249CC..EExtended strand (participates in β ladder)trans-93.9157178.7-60.70000111.8H188 V189H188-S215 PolarHBondContact N-O 2.97Å; H188-S215 VanDerWaalsContact N-O 3.09Å; V189-S215 PolarHBondContact N-O 2.97Å; V189-S215 PolarHBondContact O-N 2.96Å
216R86Confident67.9Low40 Ų4047.7 Ų47.715%0.15123%0.233CC..EExtended strand (participates in β ladder)trans-110.8131163.2174179.9-85163-7108.6P137 V138 V186 D187 H697P137-R216 WeakPolarHBondContact CA-O 3.48Å; P137-R216 HydrophobicContact CB-CB 4.07Å; P137-R216 HydrophobicContact CB-CG 3.84Å; P137-R216 HydrophobicContact CG-CB 4.31Å; P137-R216 HydrophobicContact CG-CG 4.18Å; V138-R216 PolarHBondContact N-O 3.25Å; V186-R216 WeakPolarHBondContact O-CA 3.37Å; D187-R216 WeakPolarHBondContact OD1-CD 3.39Å; D187-R216 WeakPolarHBondContact OD1-CG 3.31Å; D187-R216 IonicContact OD1-CZ 2.74Å; D187-R216 IonicContact OD1-NE 3.62Å; D187-R216 PolarHBondContact OD1-NE 3.16Å; D187-R216 IonicContact OD1-NH2 3.6Å; D187-R216 IonicContact OD2-CZ 2.76Å; D187-R216 IonicContact OD2-NE 3.6Å; D187-R216 PolarHBondContact OD2-NE 3.49Å; D187-R216 IonicContact OD2-NH2 2.72Å; D187-R216 PolarHBondContact OD2-NH2 3.49Å; R216-H697 PolarHBondContact NH2-O 3.38Å
217F88.5Confident69.1Low0 Ų041.6 Ų41.60%022%0.221CC..EExtended strand (participates in β ladder)trans-115.8137.6174.6-74.4-85.8000111.1V138 L161 Y165 W185 V186 V189 L219V138-F217 HydrophobicContact CB-CD1 3.78Å; V138-F217 HydrophobicContact CB-CE1 3.68Å; V138-F217 HydrophobicContact CG1-CD1 4.03Å; V138-F217 HydrophobicContact CG1-CE1 3.78Å; V138-F217 HydrophobicContact CG2-CE1 4.24Å; V138-F217 CarbonylContact O-C 3.47Å; V138-F217 WeakPolarHBondContact O-CA 3.4Å; L161-F217 HydrophobicContact CD1-CE1 3.69Å; L161-F217 HydrophobicContact CD1-CZ 4.07Å; L161-F217 HydrophobicContact CD2-CD1 4.23Å; L161-F217 HydrophobicContact CD2-CE1 4.19Å; L161-F217 HydrophobicContact CG-CE1 4.43Å; Y165-F217 AromaticContact CD1-CE2 3.94Å; Y165-F217 HydrophobicContact CD1-CE2 3.94Å; Y165-F217 HydrophobicContact CD1-CZ 4.18Å; Y165-F217 HydrophobicContact CD2-CE2 4.28Å; Y165-F217 AromaticContact CD2-CZ 3.81Å; Y165-F217 HydrophobicContact CD2-CZ 3.81Å; Y165-F217 HydrophobicContact CE1-CE2 4.01Å; Y165-F217 HydrophobicContact CE1-CZ 4.02Å; Y165-F217 HydrophobicContact CE2-CE2 4.38Å; Y165-F217 AromaticContact CE2-CZ 3.66Å; Y165-F217 HydrophobicContact CE2-CZ 3.66Å; Y165-F217 HydrophobicContact CG-CE2 4.05Å; Y165-F217 HydrophobicContact CG-CZ 4.07Å; Y165-F217 AromaticContact CZ-CZ 3.75Å; W185-F217 WeakPolarHBondContact CA-O 3.41Å; V186-F217 PolarHBondContact N-O 3.19Å; V186-F217 PolarHBondContact O-N 3.15Å; V189-F217 HydrophobicContact CB-CD2 3.89Å; V189-F217 HydrophobicContact CB-CE2 4.08Å; V189-F217 HydrophobicContact CG1-CD2 3.99Å; V189-F217 HydrophobicContact CG1-CE2 3.87Å; V189-F217 HydrophobicContact CG2-CD2 3.82Å; V189-F217 HydrophobicContact CG2-CE2 4.49Å; F217-L219 HydrophobicContact CB-CD2 3.99Å; F217-L219 HydrophobicContact CB-CG 4.45Å
218I87.6Confident70Confident0 Ų047.9 Ų47.90%023%0.232CC..EExtended strand (participates in β ladder)trans-113.299.8172.7-58.6176.5000106.9P137 V138 H140 W185 L220 G249 L250 P702 L705P137-I218 HydrophobicContact CB-CD1 4.13Å; P137-I218 HydrophobicContact CB-CG1 4.4Å; V138-I218 PolarHBondContact O-N 2.9Å; H140-I218 PolarHBondContact N-O 3.41Å; W185-I218 HydrophobicContact CD2-CD1 4.25Å; W185-I218 HydrophobicContact CD2-CG1 3.93Å; W185-I218 HydrophobicContact CE3-CD1 4.45Å; W185-I218 HydrophobicContact CE3-CG1 4.32Å; W185-I218 HydrophobicContact CG-CG1 4.31Å; W185-I218 HydrophobicContact CH2-CD1 3.91Å; W185-I218 HydrophobicContact CZ2-CD1 3.64Å; W185-I218 HydrophobicContact CZ2-CG1 4.21Å; W185-I218 HydrophobicContact CZ3-CD1 4.3Å; I218-L220 HydrophobicContact CG2-CD2 3.92Å; I218-G249 WeakPolarHBondContact CG2-O 3.47Å; I218-L250 HydrophobicContact CD1-CD2 3.83Å; I218-L250 HydrophobicContact CG2-CD2 4.39Å; I218-P702 HydrophobicContact CD1-CG 4.49Å; I218-L705 HydrophobicContact CD1-CD2 3.88Å
219L88.5Confident70.9Confident0 Ų047.8 Ų47.80%023%0.234CC..EExtended strand (participates in β ladder)trans-91.6123-175.2-51.2-177.7000110.3H140 M142 L161 F162 L168 T183 L184 V186 F217H140-L219 HydrophobicContact CB-CD2 3.96Å; H140-L219 WeakPolarHBondContact O-CA 3.37Å; M142-L219 HydrophobicContact CE-CB 3.75Å; M142-L219 HydrophobicContact CE-CD1 4.19Å; L161-L219 HydrophobicContact CD2-CD2 4.44Å; F162-L219 HydrophobicContact CE2-CD1 4.28Å; F162-L219 HydrophobicContact CZ-CD1 4Å; L168-L219 HydrophobicContact CD2-CD1 4.48Å; T183-L219 WeakPolarHBondContact CA-O 3.34Å; L184-L219 HydrophobicContact CD2-CD1 4.11Å; L184-L219 PolarHBondContact N-O 2.88Å; L184-L219 WeakPolarHBondContact O-CB 3.22Å; L184-L219 PolarHBondContact O-N 3.42Å; V186-L219 HydrophobicContact CG2-CD1 4.27Å; F217-L219 HydrophobicContact CB-CD2 3.99Å; F217-L219 HydrophobicContact CB-CG 4.45Å
220L84.6Confident71.7Confident0 Ų046.2 Ų46.20%023%0.229CC..EExtended strand (participates in β ladder)trans-113.4138.9-175.4-53.9-177.6000111.4V139 H140 F141 M142 T183 I218 G222 L245 V246V139-L220 HydrophobicContact CG1-CD1 3.55Å; V139-L220 HydrophobicContact CG1-CG 4.12Å; H140-L220 PolarHBondContact O-N 3.01Å; F141-L220 HydrophobicContact CD1-CB 4.15Å; F141-L220 HydrophobicContact CD1-CD1 4.22Å; F141-L220 HydrophobicContact CD2-CD1 4.38Å; F141-L220 HydrophobicContact CE1-CD1 3.86Å; F141-L220 HydrophobicContact CE2-CD1 4.02Å; F141-L220 HydrophobicContact CG-CB 4.39Å; F141-L220 HydrophobicContact CG-CD1 4.48Å; F141-L220 HydrophobicContact CZ-CD1 3.76Å; M142-L220 PolarHBondContact N-O 2.89Å; T183-L220 HydrophobicContact CG2-CD2 3.46Å; T183-L220 VanDerWaalsContact CG2-CD2 3.46Å; I218-L220 HydrophobicContact CG2-CD2 3.92Å; L220-G222 PolarHBondContact O-N 3.19Å; L220-L245 HydrophobicContact CB-CD2 4.23Å; L220-V246 HydrophobicContact CD1-CB 4.5Å; L220-V246 HydrophobicContact CD1-CG1 4.32Å; L220-V246 HydrophobicContact CD1-CG2 4.13Å
221N81.2Confident72.8Confident9 Ų940.9 Ų40.95%0.04821%0.207CC..EExtended strand (participates in β ladder)trans-83.382.6167.5173.335000110.1M142 S144 L178 V179 D180 L245M142-N221 CarbonylContact O-C 3.56Å; M142-N221 WeakPolarHBondContact O-CA 3.14Å; S144-N221 WeakPolarHBondContact CA-OD1 3.38Å; S144-N221 PolarHBondContact N-OD1 3.42Å; L178-N221 HydrophobicContact CB-CB 3.9Å; L178-N221 HydrophobicContact CD1-CB 4.34Å; V179-N221 VanDerWaalsContact C-ND2 3.27Å; V179-N221 PolarHBondContact O-ND2 3.42Å; V179-N221 VanDerWaalsContact O-ND2 3.09Å; D180-N221 PolarHBondContact N-ND2 3.25Å; D180-N221 PolarHBondContact OD1-ND2 2.99Å; N221-L245 WeakPolarHBondContact O-CD1 3.46Å; N221-L245 WeakPolarHBondContact O-CD2 3.48Å
222G74.1Confident74.1Confident2 Ų240.8 Ų40.82%0.02120%0.201CC..  trans-78.2147178.800000112.6M142 L220 Q224M142-G222 PolarHBondContact O-N 3.48Å; L220-G222 PolarHBondContact O-N 3.19Å; G222-Q224 PolarHBondContact O-N 2.93Å
223N69.1Low74.8Confident28 Ų2840.8 Ų40.815%0.1520%0.2CC..  trans-64.6136.1175.1-75.7-83.7000111.7Y225 R241 E242N223-Y225 HydrophobicContact CB-CD2 4.37Å; N223-Y225 HydrophobicContact CB-CE2 3.54Å; N223-R241 VanDerWaalsContact CG-NH1 3.25Å; N223-R241 PolarHBondContact ND2-NH1 3.04Å; N223-R241 PolarHBondContact OD1-NH1 3.31Å; N223-R241 PolarHBondContact OD1-NH2 2.66Å; N223-E242 VanDerWaalsContact CB-OE1 3.25Å; N223-E242 WeakPolarHBondContact CB-OE1 3.25Å; N223-E242 PolarHBondContact N-OE1 3.15Å; N223-E242 PolarHBondContact ND2-OE1 3.24Å
224Q68.6Low75.6Confident89 Ų8939.6 Ų39.642%0.41619%0.193SC..  trans-113.998.4-176.8-78-170.8-22.800109.8G222 Y718G222-Q224 PolarHBondContact O-N 2.93Å; Q224-Y718 HydrophobicContact CB-CD1 4.16Å; Q224-Y718 HydrophobicContact CB-CD2 4.18Å; Q224-Y718 HydrophobicContact CB-CG 3.71Å; Q224-Y718 HydrophobicContact CG-CG 4.39Å
225Y65.3Low75.8Confident24 Ų2436 Ų369%0.09418%0.183CC..  trans-87.3125.2178.9-60.3-84.9000110.5N223 V232 Q233 C238 Y718 Y719N223-Y225 HydrophobicContact CB-CD2 4.37Å; N223-Y225 HydrophobicContact CB-CE2 3.54Å; Y225-V232 HydrophobicContact CD1-CB 4.37Å; Y225-V232 HydrophobicContact CE1-CB 4.41Å; Y225-V232 HydrophobicContact CE1-CG1 4.16Å; Y225-Q233 HydrophobicContact CD2-CB 3.77Å; Y225-Q233 HydrophobicContact CE2-CB 3.86Å; Y225-Q233 HydrophobicContact CG-CB 4.34Å; Y225-C238 WeakPolarHBondContact OH-CB 3.47Å; Y225-C238 PolarHBondContact OH-SG 3.24Å; Y225-Y718 CarbonylContact O-C 3.57Å; Y225-Y718 WeakPolarHBondContact O-CA 3.49Å; Y225-Y718 WeakPolarHBondContact O-CB 3.24Å; Y225-Y719 PolarHBondContact O-N 3.47Å
226P61.3Low75.8Confident34 Ų3436.5 Ų36.522%0.22119%0.188CC..BIsolated β-bridgetrans-64.4153.5171.429.7-35.6000109.5W228 M229 S230 Y718P226-W228 HydrophobicContact CG-CZ2 4.27Å; P226-W228 PolarHBondContact O-N 3.14Å; P226-M229 HydrophobicContact CG-CB 4.12Å; P226-M229 HydrophobicContact CG-CG 3.97Å; P226-M229 HydrophobicContact CG-SD 4.17Å; P226-M229 CarbonylContact O-C 3.58Å; P226-M229 WeakPolarHBondContact O-CA 3.23Å; P226-M229 PolarHBondContact O-N 3.05Å; P226-S230 PolarHBondContact O-N 3.44Å; P226-Y718 HydrophobicContact CB-CD1 4.26Å; P226-Y718 HydrophobicContact CB-CE1 4.48Å
227A63.3Low75.5Confident58 Ų5840.8 Ų40.848%0.47921%0.21SC..G310 helixtrans-52.9-35.1-170.300000114.4M229 S230 Y719A227-M229 VanDerWaalsContact C-N 3.3Å; A227-M229 PolarHBondContact O-N 3.47Å; A227-S230 VanDerWaalsContact O-CB 3.23Å; A227-S230 WeakPolarHBondContact O-CB 3.26Å; A227-S230 PolarHBondContact O-N 2.66Å; A227-S230 PolarHBondContact O-OG 2.89Å; A227-Y719 HydrophobicContact CB-CD2 4.28Å
228W59.9Low75.2Confident212 Ų21241.5 Ų41.580%0.80321%0.214SC*.G310 helixtrans-72.4-16.3177.667.7-92.8000114.6P226P226-W228 HydrophobicContact CG-CZ2 4.27Å; P226-W228 PolarHBondContact O-N 3.14Å
229M65.9Low74.9Confident65 Ų6541.6 Ų41.632%0.3222%0.215SC..G310 helixtrans-103.410.4170.1-61.1-170.282.400112.7P226 A227 E231 V232P226-M229 HydrophobicContact CG-CB 4.12Å; P226-M229 HydrophobicContact CG-CG 3.97Å; P226-M229 HydrophobicContact CG-SD 4.17Å; P226-M229 CarbonylContact O-C 3.58Å; P226-M229 WeakPolarHBondContact O-CA 3.23Å; P226-M229 PolarHBondContact O-N 3.05Å; A227-M229 VanDerWaalsContact C-N 3.3Å; A227-M229 PolarHBondContact O-N 3.47Å; M229-E231 PolarHBondContact O-N 3.33Å; M229-V232 HydrophobicContact CB-CG2 4.23Å; M229-V232 HydrophobicContact CE-CG2 4.2Å; M229-V232 VanDerWaalsContact O-CB 3.3Å; M229-V232 WeakPolarHBondContact O-CB 3.34Å; M229-V232 PolarHBondContact O-N 3.48Å
230S69.3Low74.6Confident29 Ų2941.6 Ų41.620%0.20322%0.215CC..THydrogen-bonded Turntrans-61-20.5-174.458.10000114.2P226 A227 V232 Q233P226-S230 PolarHBondContact O-N 3.44Å; A227-S230 VanDerWaalsContact O-CB 3.23Å; A227-S230 WeakPolarHBondContact O-CB 3.26Å; A227-S230 PolarHBondContact O-N 2.66Å; A227-S230 PolarHBondContact O-OG 2.89Å; S230-V232 VanDerWaalsContact C-N 3.33Å; S230-Q233 VanDerWaalsContact O-CG 3.27Å; S230-Q233 WeakPolarHBondContact O-CG 3.4Å; S230-Q233 PolarHBondContact O-NE2 2.85Å
231E73Confident74.3Confident52 Ų5246.1 Ų46.124%0.24323%0.232CC..THydrogen-bonded Turntrans-70.5-25.9171.5-60.6-55.7139.900113.4M229 Q233 Y234 R827 L831M229-E231 PolarHBondContact O-N 3.33Å; E231-Q233 VanDerWaalsContact C-N 3.26Å; E231-Q233 PolarHBondContact O-N 2.83Å; E231-Y234 PolarHBondContact O-N 2.76Å; E231-R827 VanDerWaalsContact CD-NE 3.33Å; E231-R827 IonicContact OE1-CZ 2.96Å; E231-R827 IonicContact OE1-NE 2.67Å; E231-R827 PolarHBondContact OE1-NE 2.74Å; E231-R827 VanDerWaalsContact OE1-NE 3.13Å; E231-R827 IonicContact OE1-NH2 2.68Å; E231-R827 PolarHBondContact OE1-NH2 3.35Å; E231-R827 WeakPolarHBondContact OE2-CD 3.29Å; E231-R827 WeakPolarHBondContact OE2-CG 3.43Å; E231-R827 IonicContact OE2-CZ 4Å; E231-R827 IonicContact OE2-NE 2.89Å; E231-R827 PolarHBondContact OE2-NE 2.74Å; E231-R827 IonicContact OE2-NH2 3.23Å; E231-L831 HydrophobicContact CG-CD1 3.98Å
232V77.7Confident74.2Confident54 Ų5446.6 Ų46.633%0.32723%0.234SC..G310 helixtrans-69.6-24.3-175.6-178.30000111.9Y225 M229 S230 Y234 S235 C238Y225-V232 HydrophobicContact CD1-CB 4.37Å; Y225-V232 HydrophobicContact CE1-CB 4.41Å; Y225-V232 HydrophobicContact CE1-CG1 4.16Å; M229-V232 HydrophobicContact CB-CG2 4.23Å; M229-V232 HydrophobicContact CE-CG2 4.2Å; M229-V232 VanDerWaalsContact O-CB 3.3Å; M229-V232 WeakPolarHBondContact O-CB 3.34Å; M229-V232 PolarHBondContact O-N 3.48Å; S230-V232 VanDerWaalsContact C-N 3.33Å; V232-Y234 PolarHBondContact O-N 2.96Å; V232-S235 VanDerWaalsContact O-CB 3.26Å; V232-S235 WeakPolarHBondContact O-CB 3.39Å; V232-S235 PolarHBondContact O-N 2.78Å; V232-S235 PolarHBondContact O-OG 3.41Å; V232-C238 WeakPolarHBondContact O-CB 3.48Å; V232-C238 PolarHBondContact O-SG 2.66Å; V232-C238 VanDerWaalsContact O-SG 3.41Å
233Q79.5Confident74.6Confident14 Ų1446.5 Ų46.57%0.06523%0.233CC..G310 helixtrans-62.4-29.3179.779.3-170.2-66.300113.4Y225 S230 E231 S235 L239 Y719 L724Y225-Q233 HydrophobicContact CD2-CB 3.77Å; Y225-Q233 HydrophobicContact CE2-CB 3.86Å; Y225-Q233 HydrophobicContact CG-CB 4.34Å; S230-Q233 VanDerWaalsContact O-CG 3.27Å; S230-Q233 WeakPolarHBondContact O-CG 3.4Å; S230-Q233 PolarHBondContact O-NE2 2.85Å; E231-Q233 VanDerWaalsContact C-N 3.26Å; E231-Q233 PolarHBondContact O-N 2.83Å; Q233-S235 VanDerWaalsContact C-N 3.31Å; Q233-L239 WeakPolarHBondContact O-CD2 3.24Å; Q233-Y719 PolarHBondContact NE2-O 3.04Å; Q233-L724 HydrophobicContact CB-CD2 4.33Å; Q233-L724 HydrophobicContact CG-CD2 3.72Å
234Y82.8Confident75Confident8 Ų846.3 Ų46.33%0.03123%0.232CC..G310 helixtrans-83.6-4.6177.4-47.6-86000112.9E231 V232 L239 L724 Y823 F824 R827 L864E231-Y234 PolarHBondContact O-N 2.76Å; V232-Y234 PolarHBondContact O-N 2.96Å; Y234-L239 WeakPolarHBondContact O-CD1 3.17Å; Y234-L724 HydrophobicContact CD1-CD1 4.37Å; Y234-L724 HydrophobicContact CD1-CD2 3.77Å; Y234-L724 HydrophobicContact CD1-CG 4.48Å; Y234-L724 HydrophobicContact CE1-CB 4.26Å; Y234-L724 HydrophobicContact CE1-CD2 4.01Å; Y234-L724 HydrophobicContact CG-CD2 4.44Å; Y234-Y823 HydrophobicContact CD1-CD1 4.07Å; Y234-Y823 HydrophobicContact CD1-CE1 4.14Å; Y234-Y823 HydrophobicContact CE1-CD1 4.2Å; Y234-Y823 AromaticContact CE1-CE1 3.84Å; Y234-Y823 HydrophobicContact CE1-CE1 3.84Å; Y234-F824 WeakPolarHBondContact O-CB 3.37Å; Y234-F824 WeakPolarHBondContact O-CG 3.3Å; Y234-R827 PolarHBondContact OH-NH1 3.32Å; Y234-L864 HydrophobicContact CE1-CD2 4.47Å
235S82.7Confident75.4Confident22 Ų2242.3 Ų42.315%0.15421%0.213CC..SBendtrans-67.5142.2177.969.70000111.3V232 Q233 Q237 C238 L239V232-S235 VanDerWaalsContact O-CB 3.26Å; V232-S235 WeakPolarHBondContact O-CB 3.39Å; V232-S235 PolarHBondContact O-N 2.78Å; V232-S235 PolarHBondContact O-OG 3.41Å; Q233-S235 VanDerWaalsContact C-N 3.31Å; S235-Q237 PolarHBondContact O-N 3.41Å; S235-Q237 VanDerWaalsContact O-N 3.07Å; S235-C238 PolarHBondContact O-N 3.02Å; S235-C238 PolarHBondContact OG-SG 2.91Å; S235-L239 WeakPolarHBondContact O-CG 3.35Å; S235-L239 PolarHBondContact O-N 2.92Å
236A83Confident76.2Confident27 Ų2741.1 Ų41.122%0.22321%0.209CC..Hα-helixtrans-50.5-40.1-176.500000113.4F100 C238 L239 V240 L821F100-A236 HydrophobicContact CE1-CB 4.27Å; F100-A236 HydrophobicContact CZ-CB 3.98Å; A236-C238 PolarHBondContact O-N 3.46Å; A236-L239 PolarHBondContact O-N 3.32Å; A236-V240 WeakPolarHBondContact O-CB 3.29Å; A236-V240 WeakPolarHBondContact O-CG2 3.4Å; A236-V240 PolarHBondContact O-N 3.17Å; A236-L821 HydrophobicContact CB-CD2 3.62Å
237Q80.2Confident77Confident130 Ų13039.5 Ų39.561%0.60720%0.198SC*.Hα-helixtrans-66.2-36.4179.1-167.2-179.715.200112.8F100 S235 R241F100-Q237 HydrophobicContact CD2-CG 4.2Å; F100-Q237 HydrophobicContact CE1-CB 4.44Å; F100-Q237 HydrophobicContact CE2-CB 4.06Å; F100-Q237 HydrophobicContact CE2-CG 4.12Å; F100-Q237 HydrophobicContact CZ-CB 4.01Å; S235-Q237 PolarHBondContact O-N 3.41Å; S235-Q237 VanDerWaalsContact O-N 3.07Å; Q237-R241 VanDerWaalsContact O-CB 3.27Å; Q237-R241 WeakPolarHBondContact O-CB 3.3Å; Q237-R241 PolarHBondContact O-N 2.92Å; Q237-R241 VanDerWaalsContact O-N 3.12Å
238C80.4Confident77.5Confident14 Ų1436.8 Ų36.810%0.09518%0.176CC..Hα-helixtrans-75.8-42.5176.9-64.10000111.4Y225 V232 S235 A236 V240 R241 E242Y225-C238 WeakPolarHBondContact OH-CB 3.47Å; Y225-C238 PolarHBondContact OH-SG 3.24Å; V232-C238 WeakPolarHBondContact O-CB 3.48Å; V232-C238 PolarHBondContact O-SG 2.66Å; V232-C238 VanDerWaalsContact O-SG 3.41Å; S235-C238 PolarHBondContact O-N 3.02Å; S235-C238 PolarHBondContact OG-SG 2.91Å; A236-C238 PolarHBondContact O-N 3.46Å; C238-V240 PolarHBondContact O-N 3.28Å; C238-R241 PolarHBondContact O-N 3.45Å; C238-E242 WeakPolarHBondContact O-CB 3.4Å; C238-E242 PolarHBondContact O-N 2.9Å
239L83.3Confident78.1Confident2 Ų226.7 Ų26.71%0.0114%0.137CC..Hα-helixtrans-57.5-48.4174.2-64.1178.7000111.9Q233 Y234 S235 A236 E242 I243 L724 I728 F817 I820 L821Q233-L239 WeakPolarHBondContact O-CD2 3.24Å; Y234-L239 WeakPolarHBondContact O-CD1 3.17Å; S235-L239 WeakPolarHBondContact O-CG 3.35Å; S235-L239 PolarHBondContact O-N 2.92Å; A236-L239 PolarHBondContact O-N 3.32Å; L239-E242 PolarHBondContact O-N 3.31Å; L239-I243 WeakPolarHBondContact O-CB 3.47Å; L239-I243 WeakPolarHBondContact O-CD1 3.3Å; L239-I243 VanDerWaalsContact O-CG1 3.25Å; L239-I243 WeakPolarHBondContact O-CG1 3.45Å; L239-I243 PolarHBondContact O-N 3.42Å; L239-L724 HydrophobicContact CD2-CD1 3.71Å; L239-L724 HydrophobicContact CD2-CD2 4Å; L239-L724 HydrophobicContact CD2-CG 4.33Å; L239-I728 HydrophobicContact CD2-CD1 4.07Å; L239-F817 HydrophobicContact CB-CE2 3.99Å; L239-I820 HydrophobicContact CD1-CG2 3.69Å; L239-I820 HydrophobicContact CD2-CG2 3.94Å; L239-I820 HydrophobicContact CG-CG2 4.5Å; L239-L821 HydrophobicContact CD1-CD2 3.78Å; L239-L821 HydrophobicContact CD1-CG 4.35Å
240V80.8Confident78.6Confident1 Ų123.7 Ų23.71%0.00612%0.123CC..Hα-helixtrans-62-46.5177.1170.80000110.5F100 M103 C104 L107 A236 C238 E242 I243 I244 F817F100-V240 HydrophobicContact CE2-CB 4.07Å; F100-V240 HydrophobicContact CE2-CG1 4.27Å; F100-V240 HydrophobicContact CE2-CG2 4.1Å; F100-V240 HydrophobicContact CZ-CG2 4.29Å; M103-V240 HydrophobicContact CG-CG1 4.35Å; M103-V240 HydrophobicContact SD-CG1 3.46Å; M103-V240 WeakPolarHBondContact SD-CG1 3.29Å; C104-V240 HydrophobicContact CB-CG2 4.49Å; L107-V240 HydrophobicContact CD2-CB 4.45Å; L107-V240 HydrophobicContact CD2-CG1 4.29Å; L107-V240 HydrophobicContact CD2-CG2 3.89Å; A236-V240 WeakPolarHBondContact O-CB 3.29Å; A236-V240 WeakPolarHBondContact O-CG2 3.4Å; A236-V240 PolarHBondContact O-N 3.17Å; C238-V240 PolarHBondContact O-N 3.28Å; V240-E242 PolarHBondContact O-N 3.36Å; V240-I243 PolarHBondContact O-N 3.15Å; V240-I244 HydrophobicContact CG1-CD1 3.67Å; V240-I244 HydrophobicContact CG1-CG1 4.39Å; V240-I244 WeakPolarHBondContact O-CB 3.2Å; V240-I244 WeakPolarHBondContact O-CD1 3.46Å; V240-I244 WeakPolarHBondContact O-CG1 3.29Å; V240-I244 PolarHBondContact O-N 2.93Å; V240-F817 HydrophobicContact CG2-CE2 4.44Å; V240-F817 HydrophobicContact CG2-CZ 3.95Å
241R77.9Confident78.7Confident95 Ų9522.9 Ų22.936%0.35812%0.115SC..Hα-helixtrans-63.5-39.5179.6-178.8162.5165.1-105.4-0.7113D180 N223 Q237 C238 L245D180-R241 IonicContact OD1-NH2 2.72Å; D180-R241 IonicContact OD2-CZ 3.93Å; D180-R241 IonicContact OD2-NE 2.94Å; D180-R241 IonicContact OD2-NH2 2.97Å; D180-R241 PolarHBondContact OD2-NH2 2.87Å; N223-R241 VanDerWaalsContact CG-NH1 3.25Å; N223-R241 PolarHBondContact ND2-NH1 3.04Å; N223-R241 PolarHBondContact OD1-NH1 3.31Å; N223-R241 PolarHBondContact OD1-NH2 2.66Å; Q237-R241 VanDerWaalsContact O-CB 3.27Å; Q237-R241 WeakPolarHBondContact O-CB 3.3Å; Q237-R241 PolarHBondContact O-N 2.92Å; Q237-R241 VanDerWaalsContact O-N 3.12Å; C238-R241 PolarHBondContact O-N 3.45Å; R241-L245 WeakPolarHBondContact O-CB 3.42Å; R241-L245 PolarHBondContact O-N 3.44Å
242E80.9Confident77.8Confident18 Ų1821.1 Ų21.18%0.08411%0.108CC..Hα-helixtrans-69.5-43.6174.2-78.5-66.1131.700112.1N223 C238 L239 V240 I244 L245 V246 I728N223-E242 VanDerWaalsContact CB-OE1 3.25Å; N223-E242 WeakPolarHBondContact CB-OE1 3.25Å; N223-E242 PolarHBondContact N-OE1 3.15Å; N223-E242 PolarHBondContact ND2-OE1 3.24Å; C238-E242 WeakPolarHBondContact O-CB 3.4Å; C238-E242 PolarHBondContact O-N 2.9Å; L239-E242 PolarHBondContact O-N 3.31Å; V240-E242 PolarHBondContact O-N 3.36Å; E242-I244 VanDerWaalsContact C-N 3.26Å; E242-I244 PolarHBondContact O-N 3.06Å; E242-L245 PolarHBondContact O-N 2.88Å; E242-L245 VanDerWaalsContact O-N 3.1Å; E242-V246 WeakPolarHBondContact O-CG2 3.35Å; E242-V246 PolarHBondContact O-N 3.24Å; E242-I728 HydrophobicContact CB-CD1 3.97Å; E242-I728 HydrophobicContact CB-CG2 4.07Å
243I82.3Confident76.8Confident1 Ų120.6 Ų20.61%0.00510%0.104CC..Hα-helixtrans-59.9-39.9175.4-71.4164.8000110.8L107 L239 V240 S247 I728 I731 S732 L735 F817L107-I243 HydrophobicContact CD1-CG2 4.36Å; L107-I243 HydrophobicContact CD2-CG2 4.47Å; L239-I243 WeakPolarHBondContact O-CB 3.47Å; L239-I243 WeakPolarHBondContact O-CD1 3.3Å; L239-I243 VanDerWaalsContact O-CG1 3.25Å; L239-I243 WeakPolarHBondContact O-CG1 3.45Å; L239-I243 PolarHBondContact O-N 3.42Å; V240-I243 PolarHBondContact O-N 3.15Å; I243-S247 WeakPolarHBondContact O-CB 3.15Å; I243-S247 PolarHBondContact O-N 3.03Å; I243-S247 PolarHBondContact O-OG 2.57Å; I243-I728 HydrophobicContact CG1-CG1 4.49Å; I243-I728 HydrophobicContact CG1-CG2 4.03Å; I243-I731 HydrophobicContact CD1-CG2 3.91Å; I243-I731 HydrophobicContact CG1-CG2 4.36Å; I243-I731 HydrophobicContact CG2-CG2 4.33Å; I243-S732 WeakPolarHBondContact CA-OG 3.28Å; I243-S732 PolarHBondContact O-OG 3.28Å; I243-L735 HydrophobicContact CG2-CD1 3.58Å; I243-F817 HydrophobicContact CD1-CD2 3.48Å; I243-F817 VanDerWaalsContact CD1-CD2 3.48Å; I243-F817 HydrophobicContact CD1-CE2 3.53Å
244I76.2Confident75.1Confident23 Ų2324.8 Ų24.812%0.11812%0.123CC..Hα-helixtrans-62-45174.3-70.1170.6000111.1L86 M103 V240 E242 S248L86-I244 HydrophobicContact CD1-CB 4.28Å; L86-I244 HydrophobicContact CD1-CG1 3.85Å; L86-I244 HydrophobicContact CD1-CG2 4.2Å; L86-I244 HydrophobicContact CD2-CD1 3.73Å; L86-I244 HydrophobicContact CD2-CG1 3.59Å; L86-I244 HydrophobicContact CG-CG1 4.26Å; M103-I244 HydrophobicContact SD-CD1 3.73Å; V240-I244 HydrophobicContact CG1-CD1 3.67Å; V240-I244 HydrophobicContact CG1-CG1 4.39Å; V240-I244 WeakPolarHBondContact O-CB 3.2Å; V240-I244 WeakPolarHBondContact O-CD1 3.46Å; V240-I244 WeakPolarHBondContact O-CG1 3.29Å; V240-I244 PolarHBondContact O-N 2.93Å; E242-I244 VanDerWaalsContact C-N 3.26Å; E242-I244 PolarHBondContact O-N 3.06Å; I244-S248 VanDerWaalsContact O-CB 3.31Å; I244-S248 WeakPolarHBondContact O-CB 3.46Å; I244-S248 PolarHBondContact O-N 2.66Å; I244-S248 PolarHBondContact O-OG 3.49Å
245L77.4Confident73.2Confident5 Ų527.7 Ų27.73%0.02614%0.139CC..Hα-helixtrans-71.8-37.5-177.1-173.2138.6000113.4L220 N221 R241 E242 S248 G249L220-L245 HydrophobicContact CB-CD2 4.23Å; N221-L245 WeakPolarHBondContact O-CD1 3.46Å; N221-L245 WeakPolarHBondContact O-CD2 3.48Å; R241-L245 WeakPolarHBondContact O-CB 3.42Å; R241-L245 PolarHBondContact O-N 3.44Å; E242-L245 PolarHBondContact O-N 2.88Å; E242-L245 VanDerWaalsContact O-N 3.1Å; L245-S248 WeakPolarHBondContact CA-OG 3.27Å; L245-S248 PolarHBondContact O-OG 3.43Å; L245-G249 PolarHBondContact O-N 2.86Å
246V81.8Confident71.3Confident0 Ų035.6 Ų35.60%017%0.171CC..Hα-helixtrans-74.4-40.5175.5179.90000110.1F141 L220 E242 S248 G249 L250 I728 Q729F141-V246 HydrophobicContact CE1-CG2 3.48Å; F141-V246 VanDerWaalsContact CE1-CG2 3.48Å; F141-V246 HydrophobicContact CZ-CG1 4.49Å; F141-V246 HydrophobicContact CZ-CG2 3.47Å; F141-V246 VanDerWaalsContact CZ-CG2 3.47Å; L220-V246 HydrophobicContact CD1-CB 4.5Å; L220-V246 HydrophobicContact CD1-CG1 4.32Å; L220-V246 HydrophobicContact CD1-CG2 4.13Å; E242-V246 WeakPolarHBondContact O-CG2 3.35Å; E242-V246 PolarHBondContact O-N 3.24Å; V246-S248 VanDerWaalsContact C-N 3.33Å; V246-S248 PolarHBondContact O-N 3.42Å; V246-G249 PolarHBondContact O-N 3.02Å; V246-L250 HydrophobicContact CG1-CD1 3.97Å; V246-L250 VanDerWaalsContact O-CG 3.25Å; V246-L250 WeakPolarHBondContact O-CG 3.45Å; V246-L250 PolarHBondContact O-N 3.41Å; V246-I728 HydrophobicContact CG2-CG2 4.07Å; V246-Q729 HydrophobicContact CG1-CG 3.95Å
247S79.3Confident69.3Low0 Ų039.3 Ų39.30%018%0.18CC..Hα-helixtrans-59.2-45.1172.3-61.40000111.2I243 G249 L250 F251 S732I243-S247 WeakPolarHBondContact O-CB 3.15Å; I243-S247 PolarHBondContact O-N 3.03Å; I243-S247 PolarHBondContact O-OG 2.57Å; S247-G249 VanDerWaalsContact C-N 3.26Å; S247-G249 PolarHBondContact O-N 3.41Å; S247-L250 PolarHBondContact O-N 3.36Å; S247-F251 VanDerWaalsContact O-CD2 3.25Å; S247-F251 WeakPolarHBondContact O-CD2 3.1Å; S247-F251 PolarHBondContact O-N 3.33Å; S247-S732 WeakPolarHBondContact OG-CA 3.39Å; S247-S732 WeakPolarHBondContact OG-CB 3.19Å
248S72.2Confident67.7Low1 Ų136.3 Ų36.31%0.00717%0.168CC..Hα-helixtrans-64.8-30.6-179.769.50000113.5W81 I244 L245 V246 L250W81-S248 VanDerWaalsContact CB-CB 3.43Å; W81-S248 VanDerWaalsContact CE3-CA 3.41Å; W81-S248 VanDerWaalsContact CE3-CB 3.47Å; W81-S248 VanDerWaalsContact CE3-O 3.31Å; I244-S248 VanDerWaalsContact O-CB 3.31Å; I244-S248 WeakPolarHBondContact O-CB 3.46Å; I244-S248 PolarHBondContact O-N 2.66Å; I244-S248 PolarHBondContact O-OG 3.49Å; L245-S248 WeakPolarHBondContact CA-OG 3.27Å; L245-S248 PolarHBondContact O-OG 3.43Å; V246-S248 VanDerWaalsContact C-N 3.33Å; V246-S248 PolarHBondContact O-N 3.42Å; S248-L250 VanDerWaalsContact C-N 3.25Å; S248-L250 PolarHBondContact O-N 2.96Å
249G73.1Confident65.9Low0 Ų039.1 Ų39.10%019%0.188CC..Hα-helixtrans-67.5-20.8172.100000115.1W185 I218 L245 V246 S247W185-G249 WeakPolarHBondContact CZ2-O 3.49Å; W185-G249 PolarHBondContact NE1-O 3.32Å; I218-G249 WeakPolarHBondContact CG2-O 3.47Å; L245-G249 PolarHBondContact O-N 2.86Å; V246-G249 PolarHBondContact O-N 3.02Å; S247-G249 VanDerWaalsContact C-N 3.26Å; S247-G249 PolarHBondContact O-N 3.41Å
250L77.1Confident63.8Low2 Ų245.5 Ų45.51%0.0122%0.222CC..Hα-helixtrans-110.9-19.8-164-70.6-179.1000115.7V139 I218 V246 S247 S248 L705 V736V139-L250 HydrophobicContact CG2-CD2 3.99Å; I218-L250 HydrophobicContact CD1-CD2 3.83Å; I218-L250 HydrophobicContact CG2-CD2 4.39Å; V246-L250 HydrophobicContact CG1-CD1 3.97Å; V246-L250 VanDerWaalsContact O-CG 3.25Å; V246-L250 WeakPolarHBondContact O-CG 3.45Å; V246-L250 PolarHBondContact O-N 3.41Å; S247-L250 PolarHBondContact O-N 3.36Å; S248-L250 VanDerWaalsContact C-N 3.25Å; S248-L250 PolarHBondContact O-N 2.96Å; L250-L705 HydrophobicContact CD1-CD1 3.8Å; L250-L705 HydrophobicContact CD2-CD1 3.56Å; L250-L705 HydrophobicContact CD2-CD2 3.91Å; L250-L705 HydrophobicContact CD2-CG 4.4Å; L250-L705 HydrophobicContact CG-CD1 4.22Å; L250-V736 HydrophobicContact CB-CB 4.37Å; L250-V736 HydrophobicContact CB-CG1 4.12Å; L250-V736 HydrophobicContact CB-CG2 3.43Å; L250-V736 VanDerWaalsContact CB-CG2 3.43Å; L250-V736 HydrophobicContact CD1-CG2 4.31Å
251F71Confident61.9Low11 Ų1149.8 Ų49.85%0.04824%0.244CC..SBendtrans-69.6143.7175.9-71.6-143.2000111R79 W81 C89 S247 V736 S739R79-F251 PolarHBondContact NH1-O 3.23Å; W81-F251 HydrophobicContact CH2-CB 3.76Å; W81-F251 AromaticContact CH2-CD1 3.61Å; W81-F251 HydrophobicContact CH2-CD1 3.61Å; W81-F251 AromaticContact CH2-CD2 3.76Å; W81-F251 HydrophobicContact CH2-CD2 3.76Å; W81-F251 AromaticContact CH2-CE1 3.95Å; W81-F251 HydrophobicContact CH2-CE1 3.95Å; W81-F251 HydrophobicContact CH2-CE2 4.15Å; W81-F251 AromaticContact CH2-CG 3.49Å; W81-F251 HydrophobicContact CH2-CG 3.49Å; W81-F251 VanDerWaalsContact CH2-CG 3.49Å; W81-F251 HydrophobicContact CH2-CZ 4.24Å; W81-F251 HydrophobicContact CZ2-CD1 4.46Å; W81-F251 HydrophobicContact CZ2-CE1 4.39Å; W81-F251 HydrophobicContact CZ3-CB 3.79Å; W81-F251 HydrophobicContact CZ3-CD1 4.48Å; W81-F251 HydrophobicContact CZ3-CD2 4.35Å; W81-F251 HydrophobicContact CZ3-CG 4.05Å; C89-F251 HydrophobicContact CB-CE1 4.42Å; S247-F251 VanDerWaalsContact O-CD2 3.25Å; S247-F251 WeakPolarHBondContact O-CD2 3.1Å; S247-F251 PolarHBondContact O-N 3.33Å; F251-V736 HydrophobicContact CD2-CB 3.95Å; F251-V736 HydrophobicContact CD2-CG1 4.01Å; F251-V736 HydrophobicContact CD2-CG2 3.55Å; F251-V736 HydrophobicContact CE2-CB 4.08Å; F251-V736 HydrophobicContact CE2-CG2 3.7Å; F251-V736 HydrophobicContact CG-CG1 4.47Å; F251-S739 WeakPolarHBondContact CE1-OG 3.45Å
252P54.7Low60.5Low15 Ų1546 Ų4610%0.09723%0.231CC..PPolyproline II helixtrans-63.1152.8161.730.1-34.2000110.9E254 R701P252-E254 PolarHBondContact O-N 3.37Å; P252-R701 HydrophobicContact CG-CB 4.28Å; P252-R701 HydrophobicContact CG-CG 4.42Å
253N55.7Low58.9Low44 Ų4451.1 Ų51.124%0.23525%0.249CC..SBendtrans-65.2124.6-168.4-58-56.5000113.8R79 N699R79-N253 VanDerWaalsContact CD-OD1 3.31Å; R79-N253 WeakPolarHBondContact CD-OD1 3.42Å; R79-N253 VanDerWaalsContact CZ-OD1 3.24Å; R79-N253 PolarHBondContact NE-OD1 3.17Å; R79-N253 VanDerWaalsContact NE-OD1 3.12Å; N253-N699 PolarHBondContact ND2-OD1 2.91Å
254E44.3Very low57Low101 Ų10152 Ų5247%0.47226%0.255SS..  trans-123.8-11.3151.9-76.9-168.8169.400113.4P252 C741P252-E254 PolarHBondContact O-N 3.37Å; E254-C741 HydrophobicContact CG-CB 4.29Å; E254-C741 WeakPolarHBondContact OE2-CB 3.16Å; E254-C741 PolarHBondContact OE2-SG 2.92Å
255L42.3Very low55.3Low70 Ų7056.2 Ų56.237%0.36629%0.287SS..SBendtrans-122.2113.6-169.4-65.7172.9000113.3D85D85-L255 HydrophobicContact CB-CD1 3.67Å
256K43.4Very low53.5Low187 Ų18757.2 Ų57.281%0.81329%0.292SS*.  trans36.789.2167.5-67.5-169175.5-173.60117N258K256-N258 PolarHBondContact O-N 2.97Å
257Y41.9Very low51.6Low106 Ų10658.8 Ų58.842%0.41630%0.299SS..  trans-65100.8160-151.5-87.4000109.6M1 I76 S77 S259M1-Y257 PolarHBondContact N-OH 3.35Å; I76-Y257 PolarHBondContact O-OH 3Å; S77-Y257 PolarHBondContact OG-OH 2.93Å; Y257-S259 VanDerWaalsContact C-N 3.34Å; Y257-S259 PolarHBondContact O-N 3.24Å
258N44.9Very low50Low67 Ų6761.4 Ų61.436%0.35832%0.317SS..  trans-85.575.6-172.5-152.16.8000110.7K256 D260K256-N258 PolarHBondContact O-N 2.97Å; N258-D260 PolarHBondContact O-N 3.31Å
259S42.6Very low48.6Very low73 Ų7365.2 Ų65.251%0.5134%0.342SS..G310 helixtrans-52.3-35.9-174.140.50000114.3Y257 L261 I262Y257-S259 VanDerWaalsContact C-N 3.34Å; Y257-S259 PolarHBondContact O-N 3.24Å; S259-L261 PolarHBondContact O-N 3.43Å; S259-I262 PolarHBondContact O-N 2.82Å
260D39.5Very low47Very low135 Ų13569.3 Ų69.372%0.72236%0.363SS*.G310 helixtrans-77.4-12.9-162.2-52.5-6.5000112.1N258N258-D260 PolarHBondContact O-N 3.31Å
261L42.3Very low45.4Very low92 Ų9272 Ų7248%0.48237%0.373SS..G310 helixtrans-94.610.4-178.3-103.4155.4000114.4R78 S259R78-L261 PolarHBondContact NH1-O 3.24Å; S259-L261 PolarHBondContact O-N 3.43Å
262I47.9Very low44.2Very low14 Ų1472.4 Ų72.47%0.07238%0.375CS..G310 helixtrans-124.329.5177.3-27.9-179.7000112.8M1 R78 S259 P264M1-I262 HydrophobicContact CE-CG2 3.65Å; M1-I262 HydrophobicContact SD-CG2 4.2Å; R78-I262 HydrophobicContact CB-CD1 4.02Å; S259-I262 PolarHBondContact O-N 2.82Å; I262-P264 VanDerWaalsContact O-CD 3.29Å; I262-P264 WeakPolarHBondContact O-CD 3.5Å
263R46.5Very low43.6Very low126 Ų12675 Ų7548%0.47539%0.388SS..  trans-102.485.8156.9-70.5-170.1-175.3-1391108.7S265 P269 W272 D273R263-S265 PolarHBondContact O-N 3.44Å; R263-P269 PolarHBondContact NH1-O 2.82Å; R263-W272 HydrophobicContact CG-CG 4.32Å; R263-D273 IonicContact CZ-OD1 2.71Å; R263-D273 VanDerWaalsContact CZ-OD1 3.23Å; R263-D273 IonicContact CZ-OD2 3.35Å; R263-D273 IonicContact NH1-OD1 3.13Å; R263-D273 PolarHBondContact NH1-OD1 2.9Å; R263-D273 IonicContact NH1-OD2 3.66Å; R263-D273 PolarHBondContact NH1-OD2 3.11Å; R263-D273 IonicContact NH2-OD1 2.73Å; R263-D273 PolarHBondContact NH2-OD1 2.93Å
264P42.7Very low42.8Very low20 Ų2075.7 Ų75.713%0.1339%0.387CS..  trans-63.2136.7178.429.2-38.9000111P173 L174 I262 L266 F267 W272P173-P264 WeakPolarHBondContact O-CB 3.42Å; L174-P264 HydrophobicContact CD2-CG 4Å; I262-P264 VanDerWaalsContact O-CD 3.29Å; I262-P264 WeakPolarHBondContact O-CD 3.5Å; P264-L266 PolarHBondContact O-N 3.49Å; P264-F267 HydrophobicContact CG-CD2 4.2Å; P264-F267 PolarHBondContact O-N 3.32Å; P264-F267 VanDerWaalsContact O-N 3.15Å; P264-W272 HydrophobicContact CG-CZ2 3.73Å
265S41Very low42.4Very low111 Ų11172.3 Ų72.378%0.77637%0.372SS*.THydrogen-bonded Turntrans-65.4-8.1-177.350.30000115.1R263 F267R263-S265 PolarHBondContact O-N 3.44Å; S265-F267 VanDerWaalsContact C-N 3.26Å; S265-F267 PolarHBondContact O-N 3.05Å
266L39Very low42.3Very low26 Ų2673 Ų7314%0.13639%0.388CS..THydrogen-bonded Turntrans-61.2-32.2169.3-77.8171.2000113.1P21 L30 V33 P173 P264P21-L266 HydrophobicContact CG-CD2 4.38Å; P21-L266 WeakPolarHBondContact O-CD2 3.19Å; L30-L266 HydrophobicContact CD2-CD1 4.04Å; L30-L266 HydrophobicContact CD2-CG 4.47Å; V33-L266 HydrophobicContact CG1-CD1 4.44Å; P173-L266 HydrophobicContact CB-CD1 3.55Å; P264-L266 PolarHBondContact O-N 3.49Å
267F42.8Very low42Very low33 Ų3367.7 Ų67.715%0.14537%0.374CS..SBendtrans-119.7138.5-177-58-79.6000109.6L20 P264 S265 W271 W272L20-F267 HydrophobicContact CD2-CZ 4.08Å; P264-F267 HydrophobicContact CG-CD2 4.2Å; P264-F267 PolarHBondContact O-N 3.32Å; P264-F267 VanDerWaalsContact O-N 3.15Å; S265-F267 VanDerWaalsContact C-N 3.26Å; S265-F267 PolarHBondContact O-N 3.05Å; F267-W271 HydrophobicContact CB-CD2 4.07Å; F267-W271 HydrophobicContact CB-CE3 3.6Å; F267-W271 HydrophobicContact CB-CZ3 4.04Å; F267-W271 AromaticContact CD1-CD2 4Å; F267-W271 HydrophobicContact CD1-CD2 4Å; F267-W271 AromaticContact CD1-CE2 4Å; F267-W271 AromaticContact CD1-CE3 3.95Å; F267-W271 HydrophobicContact CD1-CE3 3.95Å; F267-W271 AromaticContact CD1-CH2 3.88Å; F267-W271 HydrophobicContact CD1-CH2 3.88Å; F267-W271 AromaticContact CD1-CZ2 3.94Å; F267-W271 HydrophobicContact CD1-CZ2 3.94Å; F267-W271 AromaticContact CD1-CZ3 3.91Å; F267-W271 HydrophobicContact CD1-CZ3 3.91Å; F267-W271 HydrophobicContact CD2-CZ3 4.14Å; F267-W271 AromaticContact CE1-CH2 3.98Å; F267-W271 HydrophobicContact CE1-CH2 3.98Å; F267-W271 HydrophobicContact CE1-CZ2 4.04Å; F267-W271 HydrophobicContact CE1-CZ3 4.41Å; F267-W271 HydrophobicContact CG-CD2 4.26Å; F267-W271 AromaticContact CG-CE3 3.8Å; F267-W271 HydrophobicContact CG-CE3 3.8Å; F267-W271 HydrophobicContact CG-CH2 4.17Å; F267-W271 AromaticContact CG-CZ3 3.76Å; F267-W271 HydrophobicContact CG-CZ3 3.76Å; F267-W271 HydrophobicContact CZ-CH2 4.35Å; F267-W272 HydrophobicContact CD2-CZ2 4.17Å
268S44.3Very low41.8Very low55 Ų5565.9 Ų65.939%0.38537%0.369SS..  trans-63.7151.5-176.7760000111L270 W271 W272S268-L270 PolarHBondContact O-N 2.65Å; S268-L270 VanDerWaalsContact O-N 3.17Å; S268-W271 WeakPolarHBondContact O-CB 3.42Å; S268-W271 PolarHBondContact O-N 3.25Å; S268-W271 PolarHBondContact OG-N 3.48Å; S268-W271 VanDerWaalsContact OG-N 3.14Å; S268-W272 PolarHBondContact O-N 3.28Å
269P42.9Very low41.3Very low81 Ų8167 Ų6753%0.52638%0.379SS..Hα-helixtrans-52.8-38173.2-27.635.7000112.1R263 W271 W272 D273R263-P269 PolarHBondContact NH1-O 2.82Å; P269-W271 VanDerWaalsContact C-N 3.35Å; P269-W271 PolarHBondContact O-N 3.11Å; P269-W272 CarbonylContact O-C 3.48Å; P269-W272 WeakPolarHBondContact O-CA 3.49Å; P269-W272 WeakPolarHBondContact O-CB 3.37Å; P269-W272 PolarHBondContact O-N 2.91Å; P269-W272 VanDerWaalsContact O-N 3.13Å; P269-D273 VanDerWaalsContact O-CG 3.25Å; P269-D273 PolarHBondContact O-N 2.96Å
270L41.1Very low40.8Very low86 Ų8669 Ų6945%0.4539%0.385SS..Hα-helixtrans-67.2-29.6179.9-68.6158.2000113.7S268 D273 Y274 Q662S268-L270 PolarHBondContact O-N 2.65Å; S268-L270 VanDerWaalsContact O-N 3.17Å; L270-D273 PolarHBondContact O-N 3.11Å; L270-Y274 VanDerWaalsContact O-CB 3.28Å; L270-Y274 WeakPolarHBondContact O-CB 3.47Å; L270-Y274 PolarHBondContact O-N 3.37Å; L270-Q662 HydrophobicContact CB-CG 4.43Å; L270-Q662 HydrophobicContact CD1-CB 4.2Å; L270-Q662 HydrophobicContact CD1-CG 4.37Å; L270-Q662 HydrophobicContact CD2-CG 4.4Å
271W43.5Very low40.4Very low58 Ų5867.9 Ų67.922%0.2238%0.383CS..Hα-helixtrans-66.7-40.5171.5-171.284.8000111L7 F267 S268 P269 L275L7-W271 HydrophobicContact CD1-CH2 3.71Å; L7-W271 HydrophobicContact CD1-CZ2 3.68Å; L7-W271 HydrophobicContact CD2-CH2 4.02Å; L7-W271 HydrophobicContact CD2-CZ3 4.45Å; L7-W271 HydrophobicContact CG-CH2 4.16Å; F267-W271 HydrophobicContact CB-CD2 4.07Å; F267-W271 HydrophobicContact CB-CE3 3.6Å; F267-W271 HydrophobicContact CB-CZ3 4.04Å; F267-W271 AromaticContact CD1-CD2 4Å; F267-W271 HydrophobicContact CD1-CD2 4Å; F267-W271 AromaticContact CD1-CE2 4Å; F267-W271 AromaticContact CD1-CE3 3.95Å; F267-W271 HydrophobicContact CD1-CE3 3.95Å; F267-W271 AromaticContact CD1-CH2 3.88Å; F267-W271 HydrophobicContact CD1-CH2 3.88Å; F267-W271 AromaticContact CD1-CZ2 3.94Å; F267-W271 HydrophobicContact CD1-CZ2 3.94Å; F267-W271 AromaticContact CD1-CZ3 3.91Å; F267-W271 HydrophobicContact CD1-CZ3 3.91Å; F267-W271 HydrophobicContact CD2-CZ3 4.14Å; F267-W271 AromaticContact CE1-CH2 3.98Å; F267-W271 HydrophobicContact CE1-CH2 3.98Å; F267-W271 HydrophobicContact CE1-CZ2 4.04Å; F267-W271 HydrophobicContact CE1-CZ3 4.41Å; F267-W271 HydrophobicContact CG-CD2 4.26Å; F267-W271 AromaticContact CG-CE3 3.8Å; F267-W271 HydrophobicContact CG-CE3 3.8Å; F267-W271 HydrophobicContact CG-CH2 4.17Å; F267-W271 AromaticContact CG-CZ3 3.76Å; F267-W271 HydrophobicContact CG-CZ3 3.76Å; F267-W271 HydrophobicContact CZ-CH2 4.35Å; S268-W271 WeakPolarHBondContact O-CB 3.42Å; S268-W271 PolarHBondContact O-N 3.25Å; S268-W271 PolarHBondContact OG-N 3.48Å; S268-W271 VanDerWaalsContact OG-N 3.14Å; P269-W271 VanDerWaalsContact C-N 3.35Å; P269-W271 PolarHBondContact O-N 3.11Å; W271-L275 HydrophobicContact CD2-CD1 3.85Å; W271-L275 HydrophobicContact CE3-CD1 3.62Å; W271-L275 HydrophobicContact CH2-CD1 3.88Å; W271-L275 HydrophobicContact CZ2-CD1 4.07Å; W271-L275 HydrophobicContact CZ3-CD1 3.63Å; W271-L275 WeakPolarHBondContact O-CD1 3.35Å; W271-L275 WeakPolarHBondContact O-CG 3.4Å; W271-L275 PolarHBondContact O-N 3.24Å; W271-L275 VanDerWaalsContact O-N 3.15Å
272W44Very low39.8Very low21 Ų2170.2 Ų70.28%0.0839%0.391CS..Hα-helixtrans-66.5-42.8172.1-69.4109.2000112.7M1 L3 L174 R263 P264 F267 S268 P269 L275 A276M1-W272 HydrophobicContact SD-CH2 4.36Å; M1-W272 HydrophobicContact SD-CZ3 3.94Å; L3-W272 HydrophobicContact CD1-CH2 4.09Å; L3-W272 HydrophobicContact CD1-CZ3 3.92Å; L174-W272 HydrophobicContact CD2-CH2 3.43Å; L174-W272 VanDerWaalsContact CD2-CH2 3.43Å; L174-W272 HydrophobicContact CD2-CZ2 3.65Å; R263-W272 HydrophobicContact CG-CG 4.32Å; P264-W272 HydrophobicContact CG-CZ2 3.73Å; F267-W272 HydrophobicContact CD2-CZ2 4.17Å; S268-W272 PolarHBondContact O-N 3.28Å; P269-W272 CarbonylContact O-C 3.48Å; P269-W272 WeakPolarHBondContact O-CA 3.49Å; P269-W272 WeakPolarHBondContact O-CB 3.37Å; P269-W272 PolarHBondContact O-N 2.91Å; P269-W272 VanDerWaalsContact O-N 3.13Å; W272-L275 PolarHBondContact O-N 2.89Å; W272-A276 VanDerWaalsContact O-CB 3.3Å; W272-A276 WeakPolarHBondContact O-CB 3.28Å; W272-A276 PolarHBondContact O-N 3.03Å
273D42.5Very low38.9Very low70 Ų7074 Ų7437%0.37442%0.418SS..Hα-helixtrans-67.6-37.7179.1-64.6-44.7000111.8R263 P269 L270 A276 S277R263-D273 IonicContact CZ-OD1 2.71Å; R263-D273 VanDerWaalsContact CZ-OD1 3.23Å; R263-D273 IonicContact CZ-OD2 3.35Å; R263-D273 IonicContact NH1-OD1 3.13Å; R263-D273 PolarHBondContact NH1-OD1 2.9Å; R263-D273 IonicContact NH1-OD2 3.66Å; R263-D273 PolarHBondContact NH1-OD2 3.11Å; R263-D273 IonicContact NH2-OD1 2.73Å; R263-D273 PolarHBondContact NH2-OD1 2.93Å; P269-D273 VanDerWaalsContact O-CG 3.25Å; P269-D273 PolarHBondContact O-N 2.96Å; L270-D273 PolarHBondContact O-N 3.11Å; D273-A276 PolarHBondContact O-N 3.44Å; D273-S277 WeakPolarHBondContact O-CB 3.34Å; D273-S277 PolarHBondContact O-N 3.42Å
274Y38.3Very low38Very low58 Ų5874 Ų7423%0.22742%0.424CS..Hα-helixtrans-60.6-48.7172.1176-109000111.8L270 A276 S277 I305L270-Y274 VanDerWaalsContact O-CB 3.28Å; L270-Y274 WeakPolarHBondContact O-CB 3.47Å; L270-Y274 PolarHBondContact O-N 3.37Å; Y274-A276 PolarHBondContact O-N 3.12Å; Y274-S277 WeakPolarHBondContact O-CB 3.49Å; Y274-S277 PolarHBondContact O-N 2.82Å; Y274-S277 VanDerWaalsContact O-N 3.14Å; Y274-S277 PolarHBondContact O-OG 2.62Å; Y274-I305 WeakPolarHBondContact OH-CG2 3.44Å
275L37.2Very low37.2Very low29 Ų2983.2 Ų83.215%0.15246%0.458CS..Hα-helixtrans-65.2-38.4177.9-75.1164.4000112.9L7 W271 W272 S277 K278L7-L275 HydrophobicContact CD1-CD1 4.23Å; L7-L275 HydrophobicContact CD1-CD2 4.47Å; L7-L275 HydrophobicContact CD2-CD1 3.49Å; L7-L275 VanDerWaalsContact CD2-CD1 3.49Å; L7-L275 HydrophobicContact CD2-CD2 4.12Å; L7-L275 HydrophobicContact CD2-CG 4.42Å; W271-L275 HydrophobicContact CD2-CD1 3.85Å; W271-L275 HydrophobicContact CE3-CD1 3.62Å; W271-L275 HydrophobicContact CH2-CD1 3.88Å; W271-L275 HydrophobicContact CZ2-CD1 4.07Å; W271-L275 HydrophobicContact CZ3-CD1 3.63Å; W271-L275 WeakPolarHBondContact O-CD1 3.35Å; W271-L275 WeakPolarHBondContact O-CG 3.4Å; W271-L275 PolarHBondContact O-N 3.24Å; W271-L275 VanDerWaalsContact O-N 3.15Å; W272-L275 PolarHBondContact O-N 2.89Å; L275-S277 PolarHBondContact O-N 3.07Å; L275-K278 PolarHBondContact O-N 3.41Å
276A39.2Very low36.7Very low84 Ų8481.8 Ų81.869%0.69444%0.444SS*.Hα-helixtrans-67.1-20.5174.900000113.2W272 D273 Y274 K278W272-A276 VanDerWaalsContact O-CB 3.3Å; W272-A276 WeakPolarHBondContact O-CB 3.28Å; W272-A276 PolarHBondContact O-N 3.03Å; D273-A276 PolarHBondContact O-N 3.44Å; Y274-A276 PolarHBondContact O-N 3.12Å; A276-K278 VanDerWaalsContact C-N 3.34Å; A276-K278 PolarHBondContact O-N 3.03Å
277S37.9Very low36.1Very low76 Ų7689.2 Ų89.253%0.53148%0.475SS..THydrogen-bonded Turntrans-81.91.7179.178.30000115.4D273 Y274 L275D273-S277 WeakPolarHBondContact O-CB 3.34Å; D273-S277 PolarHBondContact O-N 3.42Å; Y274-S277 WeakPolarHBondContact O-CB 3.49Å; Y274-S277 PolarHBondContact O-N 2.82Å; Y274-S277 VanDerWaalsContact O-N 3.14Å; Y274-S277 PolarHBondContact O-OG 2.62Å; L275-S277 PolarHBondContact O-N 3.07Å
278K37Very low35.2Very low68 Ų6894 Ų9430%0.29650%0.503SS..  trans-60.8129.4-178.2-93.1-172.3175.7178.20111.8L275 A276 D280L275-K278 PolarHBondContact O-N 3.41Å; A276-K278 VanDerWaalsContact C-N 3.34Å; A276-K278 PolarHBondContact O-N 3.03Å; K278-D280 PolarHBondContact O-N 3.46Å
279P34.3Very low34.3Very low90 Ų90101.4 Ų101.458%0.58452%0.522SS*.SBendtrans-91.248.1-155.638-40.9000115.4
280D32.2Very low33.4Very low117 Ų117103.3 Ų103.363%0.62654%0.537SS*.SBendtrans-109.74.2-177.2-73.5-64000114.6K278K278-D280 PolarHBondContact O-N 3.46Å
281V31.2Very low33Very low111 Ų111106 Ų10667%0.67355%0.55SS**SBendtrans-118.3-15.7176.1-175.40000113.2
282Q29.7Very low32.1Very low140 Ų140110.8 Ų110.865%0.65458%0.575SS**G310 helixtrans-81.9-11.5176.8-74.8-169.6-4.500114.1Q284 Y285 V286Q282-Q284 PolarHBondContact O-N 3.4Å; Q282-Q284 VanDerWaalsContact O-N 3.13Å; Q282-Y285 PolarHBondContact O-N 3.18Å; Q282-Y285 VanDerWaalsContact O-N 3.09Å; Q282-V286 HydrophobicContact CB-CG2 4.05Å; Q282-V286 PolarHBondContact O-N 2.85Å
283S29Very low31.2Very low93 Ų93116.4 Ų116.465%0.6561%0.614SS**G310 helixtrans-61.6-20.4-178.551.10000114.9
284Q27.8Very low30.4Very low126 Ų126117.3 Ų117.359%0.58963%0.626SS**G310 helixtrans-105.6-10.2173.6-68.6-168.1-22.200114.7Q282Q282-Q284 PolarHBondContact O-N 3.4Å; Q282-Q284 VanDerWaalsContact O-N 3.13Å
285Y26.3Very low30Very low215 Ų215119.9 Ų119.984%0.84364%0.644SS**THydrogen-bonded Turntrans-107.7-4.1176.8-89.7-81.5000114.7Q282Q282-Y285 PolarHBondContact O-N 3.18Å; Q282-Y285 VanDerWaalsContact O-N 3.09Å
286V31.3Very low29.5Very low81 Ų81124.2 Ų124.249%0.49167%0.674SS.*  trans-110.153.4170.4-167.40000110.5Q282Q282-V286 HydrophobicContact CB-CG2 4.05Å; Q282-V286 PolarHBondContact O-N 2.85Å
287K25.1Very low29.2Very low181 Ų181123.5 Ų123.579%0.78766%0.664SS**  trans-75.2133.7152.2-77.9-176.9175.3176.40107.9
288N24.6Very low28.8Very low135 Ų135125.4 Ų125.472%0.72267%0.667SS**SBendtrans66.962.4177.8-574.1000116.3
289R25.1Very low28.3Very low210 Ų210131.7 Ų131.779%0.79269%0.69SS**  trans-127.7103.1135.7-80.8-165.6176.4-171.5-0.4110.3I291R289-I291 PolarHBondContact O-N 3.31Å; R289-I291 VanDerWaalsContact O-N 3.09Å
290S25.2Very low28.1Very low121 Ų121132.6 Ų132.685%0.84669%0.69SS**  trans-69.995.6164.348.40000109E292S290-E292 PolarHBondContact O-N 2.8Å
291I31.2Very low27.9Very low141 Ų141133.1 Ų133.172%0.72368%0.683SS**  trans-79.6108.3169.7-64.2175.5000107.2R289R289-I291 PolarHBondContact O-N 3.31Å; R289-I291 VanDerWaalsContact O-N 3.09Å
292E24.7Very low27.8Very low160 Ų160132.4 Ų132.475%0.74868%0.675SS**  trans-58.6146.4166.6-70.2-172.4126.800110.3S290 S294S290-E292 PolarHBondContact O-N 2.8Å; E292-S294 VanDerWaalsContact C-N 3.31Å; E292-S294 PolarHBondContact O-N 2.93Å; E292-S294 PolarHBondContact O-OG 3.44Å
293P25.8Very low27.8Very low138 Ų138130 Ų13090%0.89667%0.67SS**SBendtrans-71.678.9-165.629.6-36.8000113
294S26.2Very low27.8Very low90 Ų90130 Ų13063%0.62966%0.66SS**  trans-114.417.8-170.152.80000114.7E292E292-S294 VanDerWaalsContact C-N 3.31Å; E292-S294 PolarHBondContact O-N 2.93Å; E292-S294 PolarHBondContact O-OG 3.44Å
295N28.5Very low27.9Very low112 Ų112126.2 Ų126.260%0.59964%0.643SS**  trans-173.6123147.2-112.9-73.7000113S297N295-S297 PolarHBondContact O-N 2.74Å; N295-S297 PolarHBondContact OD1-OG 2.92Å
296P28.1Very low28Very low120 Ų120121.4 Ų121.478%0.77963%0.626SS**THydrogen-bonded Turntrans-69.8-18.8172.1-18.932.3000114.3I298P296-I298 VanDerWaalsContact C-N 3.32Å; P296-I298 PolarHBondContact O-N 2.68Å
297S32Very low27.9Very low69 Ų69126.1 Ų126.148%0.48364%0.635SS.*Hα-helixtrans-69-19.1-167.553.20000115.6N295N295-S297 PolarHBondContact O-N 2.74Å; N295-S297 PolarHBondContact OD1-OG 2.92Å
298I29.8Very low28.1Very low115 Ų115121.1 Ų121.159%0.5962%0.617SS**Hα-helixtrans-81.4-34.5-175.2-60.6175.7000111.8P296P296-I298 VanDerWaalsContact C-N 3.32Å; P296-I298 PolarHBondContact O-N 2.68Å
299Y26.4Very low28.4Very low200 Ų200117.5 Ų117.578%0.78460%0.596SS**Hα-helixtrans-69-37.8-175.8-118.1-86.7000112.5R301 N302 T303Y299-R301 PolarHBondContact O-N 3.14Å; Y299-N302 PolarHBondContact O-N 3.02Å; Y299-T303 PolarHBondContact O-OG1 2.88Å
300L30Very low28.8Very low110 Ų110110.2 Ų110.258%0.57657%0.574SS**Hα-helixtrans-61.2-46.2-179-14279.2000112N302 T303 E304L300-N302 VanDerWaalsContact C-N 3.34Å; L300-N302 PolarHBondContact O-N 3.24Å; L300-T303 PolarHBondContact O-N 3.03Å; L300-T303 VanDerWaalsContact O-N 3.13Å; L300-T303 PolarHBondContact O-OG1 3.38Å; L300-E304 WeakPolarHBondContact O-CG 3.45Å; L300-E304 PolarHBondContact O-N 3.2Å
301R28.2Very low29.3Very low128 Ų128107 Ų10748%0.48355%0.548SS..Hα-helixtrans-58.6-39.6-178.7-77.3-171.8169.3-162.8-3113.7Y299 T303 E304 I305Y299-R301 PolarHBondContact O-N 3.14Å; R301-T303 VanDerWaalsContact C-N 3.31Å; R301-T303 PolarHBondContact O-N 3.06Å; R301-E304 PolarHBondContact O-N 2.95Å; R301-I305 WeakPolarHBondContact O-CD1 3.47Å; R301-I305 VanDerWaalsContact O-CG1 3.24Å; R301-I305 WeakPolarHBondContact O-CG1 3.29Å; R301-I305 PolarHBondContact O-N 3.2Å
302N29.5Very low29.7Very low96 Ų96102.3 Ų102.351%0.51352%0.523SS..Hα-helixtrans-69.7-29.7-179.7-79.5-12.5000112.4Y299 L300 K306Y299-N302 PolarHBondContact O-N 3.02Å; L300-N302 VanDerWaalsContact C-N 3.34Å; L300-N302 PolarHBondContact O-N 3.24Å; N302-K306 PolarHBondContact O-N 2.79Å
303T29.6Very low30.4Very low89 Ų8996.3 Ų96.355%0.54650%0.498SS..Hα-helixtrans-75.4-43.9169.230.50000112.4Y299 L300 R301 I305 K306 W307Y299-T303 PolarHBondContact O-OG1 2.88Å; L300-T303 PolarHBondContact O-N 3.03Å; L300-T303 VanDerWaalsContact O-N 3.13Å; L300-T303 PolarHBondContact O-OG1 3.38Å; R301-T303 VanDerWaalsContact C-N 3.31Å; R301-T303 PolarHBondContact O-N 3.06Å; T303-I305 PolarHBondContact O-N 2.97Å; T303-K306 PolarHBondContact O-N 2.86Å; T303-W307 WeakPolarHBondContact O-CB 3.36Å; T303-W307 PolarHBondContact O-N 3.12Å
304E28.9Very low31.2Very low94 Ų9491.8 Ų91.844%0.43947%0.469SS..Hα-helixtrans-59-47.7177.7-72.1173.7140.400111.6L300 R301 K306 W307 I308L300-E304 WeakPolarHBondContact O-CG 3.45Å; L300-E304 PolarHBondContact O-N 3.2Å; R301-E304 PolarHBondContact O-N 2.95Å; E304-K306 PolarHBondContact O-N 3.13Å; E304-W307 WeakPolarHBondContact O-CB 3.47Å; E304-W307 PolarHBondContact O-N 3.23Å; E304-W307 VanDerWaalsContact O-N 3.12Å; E304-I308 WeakPolarHBondContact O-CB 3.46Å; E304-I308 VanDerWaalsContact O-CG1 3.24Å; E304-I308 WeakPolarHBondContact O-CG1 3.46Å; E304-I308 PolarHBondContact O-N 3.39Å
305I29Very low32Very low46 Ų4690.4 Ų90.424%0.23646%0.455CS..Hα-helixtrans-69.8-32.8-178.3-55.8159.7000111.6Y274 R301 T303 W307 Q309Y274-I305 WeakPolarHBondContact OH-CG2 3.44Å; R301-I305 WeakPolarHBondContact O-CD1 3.47Å; R301-I305 VanDerWaalsContact O-CG1 3.24Å; R301-I305 WeakPolarHBondContact O-CG1 3.29Å; R301-I305 PolarHBondContact O-N 3.2Å; T303-I305 PolarHBondContact O-N 2.97Å; I305-W307 VanDerWaalsContact C-N 3.35Å; I305-Q309 HydrophobicContact CG2-CG 4.49Å; I305-Q309 WeakPolarHBondContact O-CB 3.42Å; I305-Q309 WeakPolarHBondContact O-CG 3.35Å; I305-Q309 PolarHBondContact O-N 3.4Å
306K29.1Very low32.6Very low113 Ų11385.9 Ų85.949%0.49143%0.43SS..Hα-helixtrans-63.5-40.1169.6-95-173.2174.3179.10111.8N302 T303 E304 T310N302-K306 PolarHBondContact O-N 2.79Å; T303-K306 PolarHBondContact O-N 2.86Å; E304-K306 PolarHBondContact O-N 3.13Å; K306-T310 WeakPolarHBondContact O-CB 3.43Å; K306-T310 PolarHBondContact O-N 3.15Å; K306-T310 PolarHBondContact O-OG1 2.97Å
307W29.2Very low33.2Very low180 Ų18080.8 Ų80.868%0.68240%0.397SS*.Hα-helixtrans-69.5-43.3178.4-157.475.1000111.6T303 E304 I305 T310 N311T303-W307 WeakPolarHBondContact O-CB 3.36Å; T303-W307 PolarHBondContact O-N 3.12Å; E304-W307 WeakPolarHBondContact O-CB 3.47Å; E304-W307 PolarHBondContact O-N 3.23Å; E304-W307 VanDerWaalsContact O-N 3.12Å; I305-W307 VanDerWaalsContact C-N 3.35Å; W307-T310 PolarHBondContact O-N 3.11Å; W307-N311 VanDerWaalsContact CE3-ND2 3.28Å; W307-N311 VanDerWaalsContact CH2-ND2 3.26Å; W307-N311 WeakPolarHBondContact CH2-ND2 3.38Å; W307-N311 VanDerWaalsContact CZ2-ND2 3.34Å; W307-N311 WeakPolarHBondContact CZ2-ND2 3.38Å; W307-N311 WeakPolarHBondContact CZ3-ND2 3.39Å; W307-N311 WeakPolarHBondContact O-CB 3.42Å; W307-N311 PolarHBondContact O-N 2.92Å
308I28.7Very low33.9Very low76 Ų7681.9 Ų81.939%0.3939%0.393SS..Hα-helixtrans-61.7-48.2174.1-69.2164.3000110.9E304 T310 N311 I312E304-I308 WeakPolarHBondContact O-CB 3.46Å; E304-I308 VanDerWaalsContact O-CG1 3.24Å; E304-I308 WeakPolarHBondContact O-CG1 3.46Å; E304-I308 PolarHBondContact O-N 3.39Å; I308-T310 VanDerWaalsContact C-N 3.33Å; I308-T310 PolarHBondContact O-N 2.89Å; I308-N311 PolarHBondContact O-N 2.85Å; I308-I312 HydrophobicContact CG2-CD1 3.53Å; I308-I312 HydrophobicContact CG2-CG1 4.22Å; I308-I312 VanDerWaalsContact O-CB 3.29Å; I308-I312 WeakPolarHBondContact O-CB 3.49Å; I308-I312 VanDerWaalsContact O-CG1 3.29Å; I308-I312 WeakPolarHBondContact O-CG1 3.34Å; I308-I312 PolarHBondContact O-N 2.56Å
309Q31.8Very low34.6Very low60 Ų6077.3 Ų77.328%0.2837%0.369SS..Hα-helixtrans-57.6-45.5174.6-81-164.2-34.100111.7I305 T313I305-Q309 HydrophobicContact CG2-CG 4.49Å; I305-Q309 WeakPolarHBondContact O-CB 3.42Å; I305-Q309 WeakPolarHBondContact O-CG 3.35Å; I305-Q309 PolarHBondContact O-N 3.4Å; Q309-T313 VanDerWaalsContact O-CB 3.3Å; Q309-T313 WeakPolarHBondContact O-CB 3.14Å; Q309-T313 PolarHBondContact O-N 3.36Å; Q309-T313 PolarHBondContact O-OG1 2.87Å
310T32.9Very low35.3Very low56 Ų5668.1 Ų68.134%0.34433%0.333SS..Hα-helixtrans-68.3-41-176.5-53.20000111.7Y70 K306 W307 I308 S314Y70-T310 PolarHBondContact OH-OG1 2.92Å; Y70-T310 VanDerWaalsContact OH-OG1 3.11Å; K306-T310 WeakPolarHBondContact O-CB 3.43Å; K306-T310 PolarHBondContact O-N 3.15Å; K306-T310 PolarHBondContact O-OG1 2.97Å; W307-T310 PolarHBondContact O-N 3.11Å; I308-T310 VanDerWaalsContact C-N 3.33Å; I308-T310 PolarHBondContact O-N 2.89Å; T310-S314 VanDerWaalsContact O-CB 3.29Å; T310-S314 WeakPolarHBondContact O-CB 3.37Å; T310-S314 PolarHBondContact O-N 3.11Å
311N35.1Very low35.9Very low54 Ų5465 Ų6529%0.28932%0.317SS..Hα-helixtrans-71.6-45.4176.2-73-13.5000112.3W307 I308 T313 S314 D315W307-N311 VanDerWaalsContact CE3-ND2 3.28Å; W307-N311 VanDerWaalsContact CH2-ND2 3.26Å; W307-N311 WeakPolarHBondContact CH2-ND2 3.38Å; W307-N311 VanDerWaalsContact CZ2-ND2 3.34Å; W307-N311 WeakPolarHBondContact CZ2-ND2 3.38Å; W307-N311 WeakPolarHBondContact CZ3-ND2 3.39Å; W307-N311 WeakPolarHBondContact O-CB 3.42Å; W307-N311 PolarHBondContact O-N 2.92Å; I308-N311 PolarHBondContact O-N 2.85Å; N311-T313 VanDerWaalsContact C-N 3.31Å; N311-T313 PolarHBondContact O-N 3.27Å; N311-S314 CarbonylContact O-C 3.38Å; N311-S314 WeakPolarHBondContact O-CB 3.2Å; N311-S314 PolarHBondContact O-N 3.23Å; N311-S314 VanDerWaalsContact O-N 3.11Å; N311-D315 WeakPolarHBondContact O-CB 3.38Å; N311-D315 PolarHBondContact O-N 3.45Å
312I39.7Very low36.8Very low42 Ų4265.3 Ų65.322%0.21532%0.322CS..Hα-helixtrans-58.9-43.3175.7-71.1177000110.6I308 D315 M316I308-I312 HydrophobicContact CG2-CD1 3.53Å; I308-I312 HydrophobicContact CG2-CG1 4.22Å; I308-I312 VanDerWaalsContact O-CB 3.29Å; I308-I312 WeakPolarHBondContact O-CB 3.49Å; I308-I312 VanDerWaalsContact O-CG1 3.29Å; I308-I312 WeakPolarHBondContact O-CG1 3.34Å; I308-I312 PolarHBondContact O-N 2.56Å; I312-D315 PolarHBondContact O-N 2.9Å; I312-M316 HydrophobicContact CG2-CG 4.24Å; I312-M316 HydrophobicContact CG2-SD 4.23Å; I312-M316 VanDerWaalsContact O-CB 3.25Å; I312-M316 WeakPolarHBondContact O-CB 3.49Å; I312-M316 WeakPolarHBondContact O-CG 3.46Å; I312-M316 PolarHBondContact O-N 2.93Å
313T39.4Very low37.5Very low34 Ų3462.6 Ų62.621%0.20931%0.306CS..Hα-helixtrans-65.2-41.6176.3-52.60000110.9Q309 N311 L317Q309-T313 VanDerWaalsContact O-CB 3.3Å; Q309-T313 WeakPolarHBondContact O-CB 3.14Å; Q309-T313 PolarHBondContact O-N 3.36Å; Q309-T313 PolarHBondContact O-OG1 2.87Å; N311-T313 VanDerWaalsContact C-N 3.31Å; N311-T313 PolarHBondContact O-N 3.27Å; T313-L317 HydrophobicContact CG2-CD1 3.89Å; T313-L317 VanDerWaalsContact O-CB 3.28Å; T313-L317 WeakPolarHBondContact O-CB 3.39Å; T313-L317 WeakPolarHBondContact O-CD1 3.47Å; T313-L317 WeakPolarHBondContact O-CG 3.28Å; T313-L317 PolarHBondContact O-N 3.21Å
314S42.9Very low38.2Very low43 Ų4359 Ų5930%0.30128%0.284SS..Hα-helixtrans-60.5-45.5175.1-168.10000112.6T310 N311 L317 K318T310-S314 VanDerWaalsContact O-CB 3.29Å; T310-S314 WeakPolarHBondContact O-CB 3.37Å; T310-S314 PolarHBondContact O-N 3.11Å; N311-S314 CarbonylContact O-C 3.38Å; N311-S314 WeakPolarHBondContact O-CB 3.2Å; N311-S314 PolarHBondContact O-N 3.23Å; N311-S314 VanDerWaalsContact O-N 3.11Å; S314-L317 PolarHBondContact O-N 3.32Å; S314-K318 VanDerWaalsContact O-CG 3.28Å; S314-K318 WeakPolarHBondContact O-CG 3.46Å; S314-K318 PolarHBondContact O-N 3.42Å; S314-K318 WeakPolarHBondContact OG-CE 3.14Å; S314-K318 PolarHBondContact OG-NZ 3.17Å
315D42.6Very low39.1Very low61 Ų6157.7 Ų57.733%0.32628%0.284SS..Hα-helixtrans-81.8-32.7-174.5-69-33000112.6N311 I312 K318 F319N311-D315 WeakPolarHBondContact O-CB 3.38Å; N311-D315 PolarHBondContact O-N 3.45Å; I312-D315 PolarHBondContact O-N 2.9Å; D315-K318 PolarHBondContact O-N 3.26Å; D315-K318 WeakPolarHBondContact OD1-CD 3.31Å; D315-K318 WeakPolarHBondContact OD1-CE 3.44Å; D315-K318 IonicContact OD1-NZ 3.96Å; D315-K318 PolarHBondContact OD1-NZ 3.49Å; D315-F319 VanDerWaalsContact O-CB 3.31Å; D315-F319 WeakPolarHBondContact O-CB 3.41Å; D315-F319 PolarHBondContact O-N 2.92Å
316M41Very low39.8Very low17 Ų1757 Ų578%0.08429%0.288CS..Hα-helixtrans-61.2-43.5164.1-77.7-16674.300111.1L17 L19 I312 F319 V320 I647L17-M316 HydrophobicContact CD1-CE 3.97Å; L19-M316 HydrophobicContact CD1-CE 4.16Å; I312-M316 HydrophobicContact CG2-CG 4.24Å; I312-M316 HydrophobicContact CG2-SD 4.23Å; I312-M316 VanDerWaalsContact O-CB 3.25Å; I312-M316 WeakPolarHBondContact O-CB 3.49Å; I312-M316 WeakPolarHBondContact O-CG 3.46Å; I312-M316 PolarHBondContact O-N 2.93Å; M316-F319 PolarHBondContact O-N 2.98Å; M316-V320 WeakPolarHBondContact O-CG2 3.48Å; M316-V320 PolarHBondContact O-N 3.37Å; M316-I647 HydrophobicContact CG-CG2 4.21Å
317L41.7Very low40.5Very low13 Ų1353.6 Ų53.67%0.06828%0.275CS..Hα-helixtrans-66.2-39.3177.6-72.7167.3000112L60 R64 T313 S314 F319 D321L60-L317 HydrophobicContact CB-CD2 4.13Å; L60-L317 HydrophobicContact CD2-CD2 4.14Å; R64-L317 HydrophobicContact CB-CB 4.32Å; R64-L317 HydrophobicContact CB-CD1 4Å; R64-L317 HydrophobicContact CG-CB 4.38Å; T313-L317 HydrophobicContact CG2-CD1 3.89Å; T313-L317 VanDerWaalsContact O-CB 3.28Å; T313-L317 WeakPolarHBondContact O-CB 3.39Å; T313-L317 WeakPolarHBondContact O-CD1 3.47Å; T313-L317 WeakPolarHBondContact O-CG 3.28Å; T313-L317 PolarHBondContact O-N 3.21Å; S314-L317 PolarHBondContact O-N 3.32Å; L317-F319 VanDerWaalsContact C-N 3.32Å; L317-F319 PolarHBondContact O-N 2.94Å; L317-D321 VanDerWaalsContact O-CB 3.28Å; L317-D321 WeakPolarHBondContact O-CB 3.28Å; L317-D321 PolarHBondContact O-N 3.24Å
318K47Very low41.2Very low93 Ų9346 Ų4640%0.40425%0.247SC..Hα-helixtrans-63.9-34.5170.6-69.1165.1-151155.30112.8S314 D315 K322S314-K318 VanDerWaalsContact O-CG 3.28Å; S314-K318 WeakPolarHBondContact O-CG 3.46Å; S314-K318 PolarHBondContact O-N 3.42Å; S314-K318 WeakPolarHBondContact OG-CE 3.14Å; S314-K318 PolarHBondContact OG-NZ 3.17Å; D315-K318 PolarHBondContact O-N 3.26Å; D315-K318 WeakPolarHBondContact OD1-CD 3.31Å; D315-K318 WeakPolarHBondContact OD1-CE 3.44Å; D315-K318 IonicContact OD1-NZ 3.96Å; D315-K318 PolarHBondContact OD1-NZ 3.49Å; K318-K322 PolarHBondContact O-N 3.15Å; K318-K322 VanDerWaalsContact O-N 3.1Å
319F42.9Very low42.1Very low19 Ų1945.6 Ų45.68%0.08325%0.25CS..Hα-helixtrans-70.6-47.3176.5175.3-112.4000111.6L17 D315 M316 L317 D321 K322 F323 L640 F643 S644 I647L17-F319 HydrophobicContact CD1-CD1 3.79Å; L17-F319 HydrophobicContact CD1-CE1 3.91Å; L17-F319 HydrophobicContact CD2-CD1 4.18Å; L17-F319 HydrophobicContact CD2-CE1 3.78Å; L17-F319 HydrophobicContact CG-CE1 4.48Å; D315-F319 VanDerWaalsContact O-CB 3.31Å; D315-F319 WeakPolarHBondContact O-CB 3.41Å; D315-F319 PolarHBondContact O-N 2.92Å; M316-F319 PolarHBondContact O-N 2.98Å; L317-F319 VanDerWaalsContact C-N 3.32Å; L317-F319 PolarHBondContact O-N 2.94Å; F319-D321 VanDerWaalsContact C-N 3.29Å; F319-D321 PolarHBondContact O-N 3.33Å; F319-K322 PolarHBondContact O-N 3.38Å; F319-F323 HydrophobicContact CZ-CB 4.46Å; F319-F323 WeakPolarHBondContact O-CB 3.36Å; F319-F323 PolarHBondContact O-N 3.3Å; F319-L640 HydrophobicContact CE2-CD2 4.34Å; F319-F643 HydrophobicContact CB-CE1 4.07Å; F319-F643 AromaticContact CD2-CD1 3.84Å; F319-F643 HydrophobicContact CD2-CD1 3.84Å; F319-F643 HydrophobicContact CD2-CE1 4.04Å; F319-F643 HydrophobicContact CG-CE1 4.45Å; F319-S644 WeakPolarHBondContact CE2-OG 3.25Å; F319-S644 VanDerWaalsContact CZ-OG 3.22Å; F319-S644 WeakPolarHBondContact CZ-OG 3.29Å; F319-I647 HydrophobicContact CB-CD1 3.86Å; F319-I647 HydrophobicContact CG-CD1 4.21Å
320V41.4Very low42.6Very low6 Ų646.2 Ų46.24%0.03626%0.256CS..Hα-helixtrans-54.4-48.8171.5172.30000109.5A13 L16 L17 L60 M316 K322 F323 V324A13-V320 HydrophobicContact CB-CG2 4.31Å; L16-V320 HydrophobicContact CD2-CG1 4Å; L17-V320 HydrophobicContact CD1-CG2 3.73Å; L17-V320 HydrophobicContact CD2-CG2 4.05Å; L17-V320 HydrophobicContact CG-CG2 3.88Å; L60-V320 HydrophobicContact CD1-CG1 3.94Å; M316-V320 WeakPolarHBondContact O-CG2 3.48Å; M316-V320 PolarHBondContact O-N 3.37Å; V320-K322 PolarHBondContact O-N 2.87Å; V320-F323 PolarHBondContact O-N 3.46Å; V320-V324 HydrophobicContact CG1-CG2 3.73Å; V320-V324 WeakPolarHBondContact O-CB 3.28Å; V320-V324 VanDerWaalsContact O-CG2 3.24Å; V320-V324 WeakPolarHBondContact O-CG2 3.33Å; V320-V324 PolarHBondContact O-N 2.86Å
321D43Very low43.1Very low45 Ų4544.7 Ų44.724%0.24125%0.245CC..Hα-helixtrans-53.5-49.5177.7-164.342.1000111.7R64 L317 F319 C325R64-D321 IonicContact CZ-OD1 2.65Å; R64-D321 IonicContact CZ-OD2 2.69Å; R64-D321 IonicContact NH1-OD2 2.66Å; R64-D321 PolarHBondContact NH1-OD2 3.44Å; R64-D321 IonicContact NH2-OD1 3.81Å; R64-D321 PolarHBondContact NH2-OD1 2.96Å; R64-D321 VanDerWaalsContact NH2-OD1 3.08Å; R64-D321 IonicContact NH2-OD2 3.74Å; R64-D321 PolarHBondContact NH2-OD2 3.37Å; L317-D321 VanDerWaalsContact O-CB 3.28Å; L317-D321 WeakPolarHBondContact O-CB 3.28Å; L317-D321 PolarHBondContact O-N 3.24Å; F319-D321 VanDerWaalsContact C-N 3.29Å; F319-D321 PolarHBondContact O-N 3.33Å; D321-C325 WeakPolarHBondContact O-CB 3.49Å; D321-C325 PolarHBondContact O-N 3.37Å; D321-C325 PolarHBondContact O-SG 2.94Å
322K48.4Very low43.4Very low135 Ų13546.3 Ų46.359%0.58725%0.251SS*.Hα-helixtrans-62.5-47.6174.6-91.8-173.5173.4-179.50114K318 F319 V320 C325 G326 L640K318-K322 PolarHBondContact O-N 3.15Å; K318-K322 VanDerWaalsContact O-N 3.1Å; F319-K322 PolarHBondContact O-N 3.38Å; V320-K322 PolarHBondContact O-N 2.87Å; K322-C325 PolarHBondContact O-N 3.13Å; K322-G326 PolarHBondContact O-N 2.82Å; K322-L640 HydrophobicContact CB-CD1 4.47Å
323F43.6Very low43.8Very low39 Ų3947.9 Ų47.917%0.17126%0.26CS..Hα-helixtrans-64.4-45.1-177.4177-107.6000111.2L17 F319 V320 G326 I327 L459L17-F323 HydrophobicContact CD2-CD1 3.67Å; L17-F323 HydrophobicContact CD2-CE1 4Å; L17-F323 HydrophobicContact CD2-CG 4.26Å; F319-F323 HydrophobicContact CZ-CB 4.46Å; F319-F323 WeakPolarHBondContact O-CB 3.36Å; F319-F323 PolarHBondContact O-N 3.3Å; V320-F323 PolarHBondContact O-N 3.46Å; F323-G326 PolarHBondContact O-N 2.96Å; F323-I327 HydrophobicContact CD1-CD1 4.09Å; F323-I327 HydrophobicContact CD2-CD1 4.25Å; F323-I327 HydrophobicContact CE1-CD1 3.57Å; F323-I327 HydrophobicContact CE2-CD1 3.75Å; F323-I327 HydrophobicContact CG-CD1 4.41Å; F323-I327 HydrophobicContact CZ-CD1 3.39Å; F323-I327 WeakPolarHBondContact O-CG1 3.17Å; F323-I327 PolarHBondContact O-N 2.86Å; F323-L459 HydrophobicContact CE2-CD2 4.17Å
324V44.4Very low43.8Very low14 Ų1448.7 Ų48.79%0.08527%0.265CS..Hα-helixtrans-65.9-45.8175.1166.60000111.4L16 I57 V320 G326 I327 M328L16-V324 HydrophobicContact CD2-CG2 4.34Å; I57-V324 HydrophobicContact CB-CG1 4.29Å; I57-V324 HydrophobicContact CD1-CG1 3.36Å; I57-V324 HydrophobicContact CD1-CG2 4.47Å; I57-V324 HydrophobicContact CG1-CG1 3.59Å; I57-V324 HydrophobicContact CG1-CG2 4.17Å; I57-V324 HydrophobicContact CG2-CG1 3.68Å; V320-V324 HydrophobicContact CG1-CG2 3.73Å; V320-V324 WeakPolarHBondContact O-CB 3.28Å; V320-V324 VanDerWaalsContact O-CG2 3.24Å; V320-V324 WeakPolarHBondContact O-CG2 3.33Å; V320-V324 PolarHBondContact O-N 2.86Å; V324-G326 VanDerWaalsContact C-N 3.3Å; V324-G326 PolarHBondContact O-N 3.46Å; V324-I327 PolarHBondContact O-N 2.96Å; V324-M328 HydrophobicContact CG1-CG 4.1Å; V324-M328 WeakPolarHBondContact O-CB 3.32Å; V324-M328 WeakPolarHBondContact O-CG 3.28Å; V324-M328 PolarHBondContact O-N 2.89Å
325C46.6Very low43.7Very low66 Ų6649.2 Ų49.245%0.44626%0.264SS..Hα-helixtrans-61.5-39.6176.7-78.20000111.5D321 K322 C329D321-C325 WeakPolarHBondContact O-CB 3.49Å; D321-C325 PolarHBondContact O-N 3.37Å; D321-C325 PolarHBondContact O-SG 2.94Å; K322-C325 PolarHBondContact O-N 3.13Å; C325-C329 VanDerWaalsContact O-CB 3.22Å; C325-C329 WeakPolarHBondContact O-CB 3.04Å; C325-C329 PolarHBondContact O-N 3.22Å; C325-C329 PolarHBondContact O-SG 2.83Å
326G43.8Very low43.7Very low31 Ų3151.7 Ų51.732%0.3227%0.272SS..Hα-helixtrans-57-61171.300000111.5K322 F323 V324 M328 C329 D330K322-G326 PolarHBondContact O-N 2.82Å; F323-G326 PolarHBondContact O-N 2.96Å; V324-G326 VanDerWaalsContact C-N 3.3Å; V324-G326 PolarHBondContact O-N 3.46Å; G326-M328 VanDerWaalsContact C-N 3.31Å; G326-M328 PolarHBondContact O-N 3.23Å; G326-C329 PolarHBondContact O-N 2.97Å; G326-D330 WeakPolarHBondContact O-CB 2.96Å; G326-D330 PolarHBondContact O-N 3.1Å
327I44.5Very low43.7Very low42 Ų4256.4 Ų56.422%0.21530%0.295CS..Hα-helixtrans-58.4-39-179.7-73.3176.1000112.4F323 V324 D330 I331F323-I327 HydrophobicContact CD1-CD1 4.09Å; F323-I327 HydrophobicContact CD2-CD1 4.25Å; F323-I327 HydrophobicContact CE1-CD1 3.57Å; F323-I327 HydrophobicContact CE2-CD1 3.75Å; F323-I327 HydrophobicContact CG-CD1 4.41Å; F323-I327 HydrophobicContact CZ-CD1 3.39Å; F323-I327 WeakPolarHBondContact O-CG1 3.17Å; F323-I327 PolarHBondContact O-N 2.86Å; V324-I327 PolarHBondContact O-N 2.96Å; I327-D330 PolarHBondContact O-N 3.03Å; I327-I331 HydrophobicContact CG2-CD1 3.51Å; I327-I331 HydrophobicContact CG2-CG1 4.32Å; I327-I331 VanDerWaalsContact O-CB 3.3Å; I327-I331 WeakPolarHBondContact O-CB 3.37Å; I327-I331 WeakPolarHBondContact O-CD1 3.37Å; I327-I331 WeakPolarHBondContact O-CG1 3.49Å; I327-I331 PolarHBondContact O-N 2.68Å
328M43.5Very low43.5Very low20 Ų2061.2 Ų61.210%0.09932%0.318CS..Hα-helixtrans-72.2-37.5178.5-82.1-94.46200112.6R54 I57 V324 G326 I331 Q332R54-M328 HydrophobicContact CG-SD 4.16Å; I57-M328 HydrophobicContact CD1-CG 4.16Å; I57-M328 HydrophobicContact CD1-SD 4.32Å; V324-M328 HydrophobicContact CG1-CG 4.1Å; V324-M328 WeakPolarHBondContact O-CB 3.32Å; V324-M328 WeakPolarHBondContact O-CG 3.28Å; V324-M328 PolarHBondContact O-N 2.89Å; G326-M328 VanDerWaalsContact C-N 3.31Å; G326-M328 PolarHBondContact O-N 3.23Å; M328-I331 HydrophobicContact CE-CB 4.15Å; M328-I331 HydrophobicContact CE-CD1 4.31Å; M328-I331 HydrophobicContact CE-CG2 4.01Å; M328-Q332 VanDerWaalsContact O-CB 3.28Å; M328-Q332 WeakPolarHBondContact O-CB 3.37Å; M328-Q332 VanDerWaalsContact O-CG 3.22Å; M328-Q332 WeakPolarHBondContact O-CG 3.42Å; M328-Q332 PolarHBondContact O-N 3.42Å
329C47.6Very low42.9Very low67 Ų6762.7 Ų62.745%0.45333%0.327SS..Hα-helixtrans-64.1-46.1171-78.80000110.7C325 G326 Q332 N333C325-C329 VanDerWaalsContact O-CB 3.22Å; C325-C329 WeakPolarHBondContact O-CB 3.04Å; C325-C329 PolarHBondContact O-N 3.22Å; C325-C329 PolarHBondContact O-SG 2.83Å; G326-C329 PolarHBondContact O-N 2.97Å; C329-Q332 PolarHBondContact O-N 3.07Å; C329-N333 VanDerWaalsContact O-CB 3.29Å; C329-N333 WeakPolarHBondContact O-CB 3.25Å; C329-N333 PolarHBondContact O-N 3.36Å; C329-N333 PolarHBondContact O-ND2 3.02Å
330D43.5Very low42.7Very low74 Ų7465.7 Ų65.740%0.39635%0.346SS..Hα-helixtrans-61.9-47.6178.4-68.4-20.6000110.9G326 I327 Q332 N333 T334G326-D330 WeakPolarHBondContact O-CB 2.96Å; G326-D330 PolarHBondContact O-N 3.1Å; I327-D330 PolarHBondContact O-N 3.03Å; D330-Q332 PolarHBondContact O-N 3.34Å; D330-N333 PolarHBondContact O-N 3.35Å; D330-T334 WeakPolarHBondContact O-CB 3.4Å; D330-T334 PolarHBondContact O-N 3.31Å; D330-T334 PolarHBondContact O-OG1 2.91Å
331I42.2Very low42.4Very low23 Ų2370.6 Ų70.612%0.11837%0.372CS..Hα-helixtrans-59.2-45.7173.5-70.7164.1000111.5I42 I327 M328 N333 T334 I335I42-I331 HydrophobicContact CD1-CD1 3.73Å; I42-I331 HydrophobicContact CG2-CD1 3.8Å; I42-I331 HydrophobicContact CG2-CG1 3.99Å; I327-I331 HydrophobicContact CG2-CD1 3.51Å; I327-I331 HydrophobicContact CG2-CG1 4.32Å; I327-I331 VanDerWaalsContact O-CB 3.3Å; I327-I331 WeakPolarHBondContact O-CB 3.37Å; I327-I331 WeakPolarHBondContact O-CD1 3.37Å; I327-I331 WeakPolarHBondContact O-CG1 3.49Å; I327-I331 PolarHBondContact O-N 2.68Å; M328-I331 HydrophobicContact CE-CB 4.15Å; M328-I331 HydrophobicContact CE-CD1 4.31Å; M328-I331 HydrophobicContact CE-CG2 4.01Å; I331-N333 VanDerWaalsContact C-N 3.32Å; I331-N333 PolarHBondContact O-N 3.47Å; I331-T334 PolarHBondContact O-N 3.4Å; I331-I335 HydrophobicContact CG2-CD1 3.68Å; I331-I335 HydrophobicContact CG2-CG1 4.39Å; I331-I335 WeakPolarHBondContact O-CB 3.34Å; I331-I335 VanDerWaalsContact O-CG1 3.25Å; I331-I335 WeakPolarHBondContact O-CG1 3.22Å; I331-I335 PolarHBondContact O-N 3.11Å
332Q42.8Very low41.9Very low88 Ų8876.2 Ų76.241%0.41140%0.395SS..Hα-helixtrans-63.4-38.8177.8-78.9-175.123.200111.8M328 C329 D330 I335 K336M328-Q332 VanDerWaalsContact O-CB 3.28Å; M328-Q332 WeakPolarHBondContact O-CB 3.37Å; M328-Q332 VanDerWaalsContact O-CG 3.22Å; M328-Q332 WeakPolarHBondContact O-CG 3.42Å; M328-Q332 PolarHBondContact O-N 3.42Å; C329-Q332 PolarHBondContact O-N 3.07Å; D330-Q332 PolarHBondContact O-N 3.34Å; Q332-I335 PolarHBondContact O-N 2.92Å; Q332-K336 WeakPolarHBondContact O-CB 3.37Å; Q332-K336 VanDerWaalsContact O-CG 3.25Å; Q332-K336 WeakPolarHBondContact O-CG 3.35Å; Q332-K336 PolarHBondContact O-N 2.9Å
333N46.3Very low41.1Very low75 Ų7573.1 Ų73.140%0.40139%0.39SS..Hα-helixtrans-69.4-42.8177.3-69.3-22000110.9C329 D330 I331 I335 K336 M337C329-N333 VanDerWaalsContact O-CB 3.29Å; C329-N333 WeakPolarHBondContact O-CB 3.25Å; C329-N333 PolarHBondContact O-N 3.36Å; C329-N333 PolarHBondContact O-ND2 3.02Å; D330-N333 PolarHBondContact O-N 3.35Å; I331-N333 VanDerWaalsContact C-N 3.32Å; I331-N333 PolarHBondContact O-N 3.47Å; N333-I335 PolarHBondContact O-N 2.87Å; N333-K336 PolarHBondContact O-N 3.46Å; N333-M337 WeakPolarHBondContact O-CB 3.45Å; N333-M337 WeakPolarHBondContact O-CG 3.45Å; N333-M337 PolarHBondContact O-N 3.11Å
334T40.3Very low40.6Very low51 Ų5174.6 Ų74.631%0.31341%0.405SS..Hα-helixtrans-62.2-41.7173.5-51.70000111.6D330 I331 M337 M338D330-T334 WeakPolarHBondContact O-CB 3.4Å; D330-T334 PolarHBondContact O-N 3.31Å; D330-T334 PolarHBondContact O-OG1 2.91Å; I331-T334 PolarHBondContact O-N 3.4Å; T334-M337 PolarHBondContact O-N 2.97Å; T334-M338 HydrophobicContact CG2-CE 4.24Å; T334-M338 WeakPolarHBondContact O-CG 3.24Å; T334-M338 PolarHBondContact O-N 3.35Å
335I40.6Very low40Very low55 Ų5584.4 Ų84.428%0.28244%0.44SS..Hα-helixtrans-64.7-43.5174.5-70169000111.2I331 Q332 N333 M338 Q339I331-I335 HydrophobicContact CG2-CD1 3.68Å; I331-I335 HydrophobicContact CG2-CG1 4.39Å; I331-I335 WeakPolarHBondContact O-CB 3.34Å; I331-I335 VanDerWaalsContact O-CG1 3.25Å; I331-I335 WeakPolarHBondContact O-CG1 3.22Å; I331-I335 PolarHBondContact O-N 3.11Å; Q332-I335 PolarHBondContact O-N 2.92Å; N333-I335 PolarHBondContact O-N 2.87Å; I335-M338 HydrophobicContact CG1-CE 4.09Å; I335-M338 PolarHBondContact O-N 3.14Å; I335-Q339 WeakPolarHBondContact O-CG 3.21Å; I335-Q339 PolarHBondContact O-N 3.12Å
336K43.8Very low39.2Very low113 Ų11388.2 Ų88.249%0.49146%0.456SS..Hα-helixtrans-59.2-46.1173.9-77.6169.5-178.2171.60111.3Q332 N333 M338 Q339 V340Q332-K336 WeakPolarHBondContact O-CB 3.37Å; Q332-K336 VanDerWaalsContact O-CG 3.25Å; Q332-K336 WeakPolarHBondContact O-CG 3.35Å; Q332-K336 PolarHBondContact O-N 2.9Å; N333-K336 PolarHBondContact O-N 3.46Å; K336-M338 VanDerWaalsContact C-N 3.35Å; K336-M338 PolarHBondContact O-N 3.12Å; K336-Q339 CarbonylContact O-C 3.6Å; K336-Q339 PolarHBondContact O-N 3.18Å; K336-Q339 VanDerWaalsContact O-N 3.08Å; K336-V340 WeakPolarHBondContact O-CG2 3.28Å; K336-V340 PolarHBondContact O-N 2.91Å
337M40.4Very low38.3Very low115 Ų11591.8 Ų91.857%0.56747%0.472SS*.Hα-helixtrans-59.5-43.4176.1-69.7-74.9-82.600111.8N333 T334 Q339 V340 N341N333-M337 WeakPolarHBondContact O-CB 3.45Å; N333-M337 WeakPolarHBondContact O-CG 3.45Å; N333-M337 PolarHBondContact O-N 3.11Å; T334-M337 PolarHBondContact O-N 2.97Å; M337-Q339 VanDerWaalsContact C-N 3.29Å; M337-Q339 PolarHBondContact O-N 2.94Å; M337-V340 PolarHBondContact O-N 3.36Å; M337-N341 PolarHBondContact O-N 3.2Å; M337-N341 VanDerWaalsContact O-N 3.09Å
338M36.7Very low37.5Very low115 Ų11597.4 Ų97.457%0.56750%0.503SS*.Hα-helixtrans-65.6-28174.3-71.9-170.5-67.900113.7T334 I335 K336T334-M338 HydrophobicContact CG2-CE 4.24Å; T334-M338 WeakPolarHBondContact O-CG 3.24Å; T334-M338 PolarHBondContact O-N 3.35Å; I335-M338 HydrophobicContact CG1-CE 4.09Å; I335-M338 PolarHBondContact O-N 3.14Å; K336-M338 VanDerWaalsContact C-N 3.35Å; K336-M338 PolarHBondContact O-N 3.12Å
339Q35.9Very low36.6Very low124 Ų124106.2 Ų106.258%0.57954%0.541SS*.Hα-helixtrans-80.8-40.3174.5-73.9178.7-17.400112.3I335 K336 M337 N341 K342 S343I335-Q339 WeakPolarHBondContact O-CG 3.21Å; I335-Q339 PolarHBondContact O-N 3.12Å; K336-Q339 CarbonylContact O-C 3.6Å; K336-Q339 PolarHBondContact O-N 3.18Å; K336-Q339 VanDerWaalsContact O-N 3.08Å; M337-Q339 VanDerWaalsContact C-N 3.29Å; M337-Q339 PolarHBondContact O-N 2.94Å; Q339-N341 VanDerWaalsContact C-N 3.28Å; Q339-N341 PolarHBondContact O-N 3.49Å; Q339-K342 WeakPolarHBondContact O-CA 3.38Å; Q339-K342 WeakPolarHBondContact O-CB 3.29Å; Q339-K342 PolarHBondContact O-N 3.09Å; Q339-S343 PolarHBondContact O-N 3.35Å; Q339-S343 PolarHBondContact O-OG 2.95Å
340V37.3Very low35.6Very low81 Ų81108.5 Ų108.549%0.49155%0.554SS.*Hα-helixtrans-58.7-42.2175.31690000110.6K336 M337 K342 S343 S344K336-V340 WeakPolarHBondContact O-CG2 3.28Å; K336-V340 PolarHBondContact O-N 2.91Å; M337-V340 PolarHBondContact O-N 3.36Å; V340-K342 PolarHBondContact O-N 3.01Å; V340-S343 WeakPolarHBondContact CA-OG 3.39Å; V340-S343 PolarHBondContact O-N 3.45Å; V340-S343 VanDerWaalsContact O-N 3.14Å; V340-S343 PolarHBondContact O-OG 2.67Å; V340-S344 PolarHBondContact O-N 2.97Å; V340-S344 PolarHBondContact O-OG 3.08Å
341N34.6Very low34.7Very low109 Ų109112.4 Ų112.458%0.58358%0.575SS**Hα-helixtrans-68.2-8.1174.2-74.5-14.7000114.8M337 Q339M337-N341 PolarHBondContact O-N 3.2Å; M337-N341 VanDerWaalsContact O-N 3.09Å; Q339-N341 VanDerWaalsContact C-N 3.28Å; Q339-N341 PolarHBondContact O-N 3.49Å
342K33.8Very low33.9Very low164 Ų164117 Ų11771%0.71361%0.609SS**Hα-helixtrans-94.6-38.2166.6-72.7-177.1176.2-178.40111.9Q339 V340Q339-K342 WeakPolarHBondContact O-CA 3.38Å; Q339-K342 WeakPolarHBondContact O-CB 3.29Å; Q339-K342 PolarHBondContact O-N 3.09Å; V340-K342 PolarHBondContact O-N 3.01Å
343S32.1Very low33Very low70 Ų70120.6 Ų120.649%0.4963%0.63SS.*Hα-helixtrans-70.3-32.1176.847.90000113.7Q339 V340 R345 N346Q339-S343 PolarHBondContact O-N 3.35Å; Q339-S343 PolarHBondContact O-OG 2.95Å; V340-S343 WeakPolarHBondContact CA-OG 3.39Å; V340-S343 PolarHBondContact O-N 3.45Å; V340-S343 VanDerWaalsContact O-N 3.14Å; V340-S343 PolarHBondContact O-OG 2.67Å; S343-R345 PolarHBondContact O-N 3.35Å; S343-R345 VanDerWaalsContact O-N 3.11Å; S343-N346 PolarHBondContact O-N 3.44Å
344S32.2Very low32Very low70 Ų70121.5 Ų121.549%0.4964%0.643SS.*THydrogen-bonded Turntrans-66-9.9178.358.90000114.4V340V340-S344 PolarHBondContact O-N 2.97Å; V340-S344 PolarHBondContact O-OG 3.08Å
345R32.6Very low31.2Very low219 Ų219127.6 Ų127.683%0.82667%0.668SS**THydrogen-bonded Turntrans-87.3-7.4170.6-74.5-174.7168.8-176.6-4114.4S343S343-R345 PolarHBondContact O-N 3.35Å; S343-R345 VanDerWaalsContact O-N 3.11Å
346N27.9Very low30.4Very low146 Ų146133.6 Ų133.678%0.78170%0.695SS**  trans-115.721.6-173.2-88.19000114.7S343S343-N346 PolarHBondContact O-N 3.44Å
347T26.4Very low29.5Very low106 Ų106132.7 Ų132.765%0.6570%0.702SS**  trans-99.979171.752.30000111.5
348N26.4Very low28.6Very low160 Ų160135.4 Ų135.486%0.85671%0.714SS**SBendtrans169.284.5143.8-87.7-21.5000113.6
349K25.6Very low27.9Very low206 Ų206137.2 Ų137.290%0.89673%0.726SS**  trans-169.3138.2140.5-110.1167.8-175.3177.60110.4
350P26.4Very low27.3Very low114 Ų114136.5 Ų136.574%0.7473%0.73SS**  trans-89.6155.7-174.935.4-35.7000114.2
351D23.6Very low26.5Very low157 Ų157144 Ų14484%0.8475%0.751SS**  trans14.6123.6155.2-53.9-28.8000121.4
352S26.6Very low25.9Very low118 Ų118144.2 Ų144.283%0.82575%0.752SS**  -152.7145.5128.957.80000111.8
353L24.2Very low25.4Very low164 Ų164145.6 Ų145.686%0.85976%0.761SS**  trans-80.7174.4169.3-52.777000108.5
354S24.4Very low25Very low95 Ų95150.6 Ų150.666%0.66477%0.774SS**  cis-169.2150.92153.60000112.9
355Q24.3Very low24.6Very low178 Ų178152.1 Ų152.183%0.83279%0.785SS**  trans64.5158.2145.3-71-179.1-3.900122.1
356Q24.2Very low24.2Very low182 Ų182146.1 Ų146.185%0.8578%0.776SS**  trans65.1149169.6-66.8-178.2-6.400118.1
357S23.1Very low24.1Very low93 Ų93146.1 Ų146.165%0.6578%0.781SS**  cis-166.2149-29.350.60000110.2
358Q22.8Very low24Very low173 Ų173149.5 Ų149.581%0.80879%0.79SS**  trans11.5139.3161.8-71161.4-70.600121.9
359N22.2Very low24Very low153 Ų153147.1 Ų147.182%0.81879%0.785SS**  trans110.7157.8159.1-58.8-28000116.7
360T22.4Very low24Very low109 Ų109142.8 Ų142.867%0.66978%0.776SS**  trans5890.2-178.8-11.30000116.4D362T360-D362 PolarHBondContact O-N 3.02Å
361Y21.3Very low24Very low237 Ų237143.7 Ų143.793%0.92977%0.774SS**  trans-71.966.8156.1-99.4-85.1000110.1H363Y361-H363 PolarHBondContact O-N 2.68Å
362D21.7Very low24.1Very low114 Ų114143.2 Ų143.261%0.6177%0.771SS**  trans-71117.8167.8-84-31.8000109.3T360 K364T360-D362 PolarHBondContact O-N 3.02Å; D362-K364 PolarHBondContact O-N 2.94Å
363H23.1Very low24.1Very low194 Ų194143 Ų14390%0.89877%0.765SS**  trans-68.777.5168.1-104.5-73.8000110Y361 S365Y361-H363 PolarHBondContact O-N 2.68Å; H363-S365 PolarHBondContact O-N 3.44Å
364K23.7Very low24.2Very low175 Ų175139.5 Ų139.576%0.76175%0.75SS**  trans-64.9102174.1-84.4-174.5175.3174.80110.4D362 S366D362-K364 PolarHBondContact O-N 2.94Å; K364-S366 PolarHBondContact O-N 3.48Å
365S23.5Very low24.3Very low102 Ų102140.8 Ų140.871%0.71375%0.75SS**  trans-65.388.1169.555.10000110.5H363H363-S365 PolarHBondContact O-N 3.44Å
366S23.8Very low24.4Very low92 Ų92136.3 Ų136.364%0.64374%0.738SS**  trans-140.849.1176.8690000113.4K364K364-S366 PolarHBondContact O-N 3.48Å
367V27.4Very low24.5Very low147 Ų147135 Ų13589%0.89174%0.736SS**  trans-107.662.8159.8-171.20000108.2
368Q24.2Very low24.6Very low177 Ų177136.3 Ų136.383%0.82774%0.735SS**  trans-130.147.4-174.1-164.1158.40.100112.2
369S25Very low24.7Very low110 Ų110133.7 Ų133.777%0.76973%0.727SS**SBendtrans-155.435.1175.952.20000114.2
370T26Very low24.9Very low114 Ų114132.7 Ų132.770%0.69972%0.72SS**SBendtrans-145.5-4.8166.5-14.10000114.8N372T370-N372 PolarHBondContact O-N 2.91Å
371L26.4Very low25.1Very low134 Ų134131.2 Ų131.270%0.70271%0.714SS**THydrogen-bonded Turntrans-80.1-12.5-174.7-142.274.8000114.6
372N25.9Very low25.4Very low146 Ų146129.2 Ų129.278%0.78171%0.71SS**THydrogen-bonded Turntrans-89.40.3-171.3-73.95.8000115.1T370T370-N372 PolarHBondContact O-N 2.91Å
373V27.3Very low25.5Very low113 Ų113131.8 Ų131.869%0.68572%0.721SS**THydrogen-bonded Turntrans-102.8-16.2-179.6-176.20000112.7S376V373-S376 PolarHBondContact O-OG 3.42Å; V373-S376 VanDerWaalsContact O-OG 3.13Å
374V26.2Very low25.6Very low91 Ų91129.3 Ų129.355%0.55271%0.714SS**THydrogen-bonded Turntrans-93.6-24.8178.8-1770000112.3S376 L377V374-S376 PolarHBondContact O-N 3.33Å; V374-L377 PolarHBondContact O-N 3.02Å
375N26.6Very low25.7Very low122 Ų122131.7 Ų131.765%0.65272%0.72SS**THydrogen-bonded Turntrans-680.6177.7-79.8-17.1000114.9
376S26.1Very low25.8Very low85 Ų85137.8 Ų137.859%0.59473%0.727SS**THydrogen-bonded Turntrans-95.1-17.6173.753.70000114.1V373 V374V373-S376 PolarHBondContact O-OG 3.42Å; V373-S376 VanDerWaalsContact O-OG 3.13Å; V374-S376 PolarHBondContact O-N 3.33Å
377L26.3Very low25.8Very low154 Ų154141.6 Ų141.681%0.80674%0.739SS**THydrogen-bonded Turntrans-104.3-19-177.6-84.4163.7000114.3V374 N379V374-L377 PolarHBondContact O-N 3.02Å; L377-N379 VanDerWaalsContact C-N 3.3Å; L377-N379 PolarHBondContact O-N 2.96Å
378L25.1Very low25.7Very low121 Ų121145.5 Ų145.563%0.63474%0.74SS**  trans-92.542.1174-80.7169.9000113.3I380L378-I380 HydrophobicContact CD2-CD1 3.85Å; L378-I380 HydrophobicContact CD2-CG1 4.32Å; L378-I380 PolarHBondContact O-N 3.17Å
379N24.4Very low25.7Very low118 Ų118141.7 Ų141.763%0.63173%0.733SS**  trans-81.755.9173.9-155.9-15.2000111.7L377 S381L377-N379 VanDerWaalsContact C-N 3.3Å; L377-N379 PolarHBondContact O-N 2.96Å; N379-S381 PolarHBondContact O-N 2.7Å; N379-S381 PolarHBondContact OD1-OG 3.21Å
380I26.8Very low25.7Very low132 Ų132144.1 Ų144.168%0.67774%0.737SS**  trans-77.867.8175.9-51.6-178.3000108.7L378L378-I380 HydrophobicContact CD2-CD1 3.85Å; L378-I380 HydrophobicContact CD2-CG1 4.32Å; L378-I380 PolarHBondContact O-N 3.17Å
381S26.7Very low25.7Very low78 Ų78148.7 Ų148.755%0.54575%0.748SS.*  trans-121.111.3176.7620000112.2N379N379-S381 PolarHBondContact O-N 2.7Å; N379-S381 PolarHBondContact OD1-OG 3.21Å
382K26.1Very low25.7Very low195 Ų195145.8 Ų145.885%0.84875%0.75SS**SBendtrans-130.713.2-169.8-75.5-174.1173.7177.60115.9
383M25.7Very low25.6Very low168 Ų168148.5 Ų148.583%0.82875%0.749SS**SBendtrans-108-9.3176.8-87.8-66.8-168.200115.3Y385M383-Y385 VanDerWaalsContact C-N 3.32Å; M383-Y385 PolarHBondContact O-N 3.3Å
384D25.3Very low25.6Very low142 Ų142153.5 Ų153.576%0.75976%0.762SS**THydrogen-bonded Turntrans-78.51.3-172-87.6-43.5000116.7
385Y25.2Very low25.5Very low224 Ų224154.8 Ų154.888%0.87877%0.77SS**THydrogen-bonded Turntrans-122.834.5-167.4-88.8-77.5000115.8M383M383-Y385 VanDerWaalsContact C-N 3.32Å; M383-Y385 PolarHBondContact O-N 3.3Å
386R24.3Very low25.8Very low230 Ų230155.8 Ų155.887%0.86878%0.781SS**SBendtrans-133.97.9176.4-74.7-164.5175.4-169.5-0.5118.3
387L25.6Very low25.9Very low172 Ų172159.2 Ų159.290%0.90179%0.793SS**SBendtrans-123.9-1.6174.7-73.4174.3000115.9S389L387-S389 PolarHBondContact O-N 3.28Å
388Y25Very low25.9Very low229 Ų229163.3 Ų163.390%0.89880%0.797SS**  trans-98.464.3170.4-91.7-82.4000112.2
389S24.5Very low26.1Very low97 Ų97162.2 Ų162.268%0.67880%0.798SS**  trans-139.747.6175.970.20000113L387L387-S389 PolarHBondContact O-N 3.28Å
390N24.8Very low26.3Very low162 Ų162163.8 Ų163.887%0.86681%0.806SS**  trans-153.342.4170.5-105.7-29.7000113.8
391F26.2Very low26.4Very low210 Ų210163 Ų16392%0.92181%0.812SS**  trans-118.5112.6158.5-96.8-85.1000108.7
392G26Very low26.5Very low72 Ų72162.5 Ų162.574%0.74282%0.82SS**  trans-96.7150.4-17400000113.6
393R23.5Very low26.5Very low203 Ų203161.4 Ų161.477%0.76682%0.823SS**  trans58.398.8163-61-179.9175.6-178.2-1.2117.1
394F27.9Very low26.4Very low219 Ų219162.1 Ų162.196%0.96183%0.827SS**  -132.5158115-95.6-77.1000109.4
395T24.1Very low26.5Very low118 Ų118161.7 Ų161.772%0.72483%0.829SS**  trans-130.6123.7-159500000113.2
396T31.9Very low26.4Very low142 Ų142156.8 Ų156.887%0.87182%0.823SS**  trans-150.3134159.621.50000111.7
397N27.7Very low26.3Very low158 Ų158150.4 Ų150.485%0.84581%0.813SS**  trans-54.4160.5-178.4-45.1-47.5000113.1
398R27.3Very low26.3Very low239 Ų239149.4 Ų149.490%0.90281%0.809SS**  cis-168.6160.746.2-166.3171.1-172.1167.32.2111.4
399P29.2Very low26.2Very low99 Ų99144.4 Ų144.464%0.64381%0.806SS**  trans-118.5-176.4-164.443.5-34.4000117.7
400D27.5Very low26.2Very low150 Ų150145.2 Ų145.280%0.80281%0.812SS**  trans77.1150.3154.8-62.1-32.1000120.2
401S30.6Very low26.7Very low116 Ų116142.7 Ų142.781%0.81180%0.804SS**  cis-161.9163.5-5.247.20000114.4
402G27.3Very low26.5Very low68 Ų68141.4 Ų141.470%0.70180%0.801SS**  trans73.9157.7154.100000119.3
403N27.8Very low26.3Very low172 Ų172141.7 Ų141.792%0.9280%0.797SS**  cis-157.2165.2-10.1-113.40.1000110.3
404M22.5Very low26.2Very low183 Ų183139.4 Ų139.490%0.90180%0.799SS**  trans-116.8150.2175.8-84.9-167.1170.600113
405T26.6Very low26Very low133 Ų133133.7 Ų133.782%0.81679%0.786SS**  trans-164.1132.3147.7130000114.1
406T24.6Very low25.8Very low120 Ų120137.4 Ų137.474%0.73679%0.792SS**  trans31.7111142.654.40000120
407S22.7Very low25.6Very low96 Ų96139.8 Ų139.867%0.67179%0.793SS**  87126.26270.80000115.9
408N24.3Very low25.5Very low152 Ų152141.1 Ų141.181%0.81379%0.794SS**  trans179.4149.2132.8-95.1-12.9000115.6
409C23.9Very low25.6Very low124 Ų124134.4 Ų134.484%0.83878%0.782SS**  trans60.1126.5150.9-60.60000123.5
410S23.5Very low25.4Very low114 Ų114136.7 Ų136.780%0.79779%0.788SS**  trans-147.7176.8146.867.40000106.4
411P35.1Very low25.3Very low108 Ų108135.5 Ų135.570%0.70179%0.786SS**  cis-139-158.95.836.1-12.1000114.8
412Q22.6Very low24.9Very low183 Ų183137.1 Ų137.186%0.85579%0.786SS**  trans102.6109152.9-80.3-179.6-17.200122.9
413A22.6Very low24.9Very low79 Ų79143.5 Ų143.565%0.65379%0.794SS**  87.2121.2123.400000123.1
414N21.2Very low24.7Very low154 Ų154141.5 Ų141.582%0.82479%0.788SS**  trans70.2144.9144-63.33000118.7
415C22.2Very low24.6Very low100 Ų100138.4 Ų138.468%0.67678%0.78SS**  cis-151.9165.66.3-114.80000112.9
416F21.2Very low24.3Very low195 Ų195138.7 Ų138.786%0.85578%0.781SS**  trans0.3136.7165-65.6-94.3000123
417E26.9Very low24.1Very low192 Ų192141.8 Ų141.890%0.89778%0.78SS**  -164.4150119.6-116.1176-155.200113.2
418H25.5Very low24.1Very low186 Ų186144.2 Ų144.286%0.86178%0.781SS**  trans-165.2149.2176.1-107.6-41.7000107.5
419P30.1Very low23.9Very low99 Ų99146.8 Ų146.864%0.64378%0.781SS**  -155.7-174.473.843.8-23.7000117.4
420D25.3Very low23.9Very low147 Ų147145 Ų14579%0.78677%0.774SS**  trans62.9150.8157.4-54.3-30.9000119.9
421V24.5Very low23.9Very low124 Ų124146.9 Ų146.975%0.75278%0.775SS**  cis-135.9162.513.4-1750000111
422D23.7Very low23.4Very low150 Ų150150.8 Ų150.880%0.80278%0.784SS**  trans70.690.6160.4-85.7-17.5000121.4
423K26.6Very low23.6Very low202 Ų202149.9 Ų149.988%0.87879%0.785SS**  -165.1151.4120.8-106.8156-172.4166.70113.3V425K423-V425 PolarHBondContact O-N 2.81Å
424T22.7Very low23.8Very low130 Ų130150.1 Ų150.180%0.79878%0.778SS**  trans-53.5118.3178.846.60000112.3
425V20.3Very low24.1Very low119 Ų119145 Ų14572%0.72176%0.762SS**  70.195.170.5178.50000113.6K423K423-V425 PolarHBondContact O-N 2.81Å
426V21.6Very low24.4Very low138 Ų138148.3 Ų148.384%0.83677%0.767SS**  -144.4125.3122.2-179.60000108.2
427Y19.7Very low24.7Very low185 Ų185146.7 Ų146.773%0.72576%0.762SS**  trans-118.8172.2162.1-74.2-96.3000107
428H22.5Very low24.8Very low147 Ų147142.2 Ų142.268%0.68174%0.743SS**  cis-149.6149.620.9-95.2-81.9000111.8
429Y20.9Very low25.1Very low207 Ų207139.3 Ų139.381%0.81273%0.73SS**  trans47.2120137.7-73-139.5000120.3
430A23.8Very low25.1Very low85 Ų85141.8 Ų141.870%0.70273%0.728SS**  -177.347.8111.100000114.5E432A430-E432 PolarHBondContact O-N 3.41Å
431D23.2Very low25.2Very low154 Ų154136.6 Ų136.682%0.82471%0.709SS**  trans-100.945.5-170.5-70.6-57.5000115.7
432E25Very low25.6Very low191 Ų191136.5 Ų136.589%0.89370%0.701SS**SBendtrans-118.210.9178-71.5-165.8142.200115.3A430A430-E432 PolarHBondContact O-N 3.41Å
433L25.4Very low26Very low164 Ų164135 Ų13586%0.85969%0.689SS**SBendtrans-130.315.5179.1-77.7171.8000114.8
434V27.4Very low26.1Very low84 Ų84129.2 Ų129.251%0.50967%0.667SS.*  trans-123.717-171.8-155.60000113.3L438V434-L438 HydrophobicContact CG1-CB 4.43Å; V434-L438 WeakPolarHBondContact O-CB 3.23Å
435G27.9Very low26.4Very low47 Ų47126.4 Ų126.449%0.48565%0.653SS.*SBendtrans-71.4-79.4173.500000112.3H437 L438 E439G435-H437 VanDerWaalsContact C-N 3.34Å; G435-H437 PolarHBondContact O-N 2.84Å; G435-L438 PolarHBondContact O-N 2.97Å; G435-E439 PolarHBondContact O-N 2.86Å
436E28.2Very low27Very low169 Ų169123.5 Ų123.579%0.7964%0.641SS**Hα-helixtrans-57.4-39.6-168.8-61.6-174.213600113.8Y440E436-Y440 WeakPolarHBondContact O-CB 3.26Å; E436-Y440 PolarHBondContact O-N 2.79Å
437H27.1Very low27.5Very low161 Ų161121.6 Ų121.675%0.74563%0.626SS**Hα-helixtrans-74-25178.4-71.8-37.3000114.1G435 G441G435-H437 VanDerWaalsContact C-N 3.34Å; G435-H437 PolarHBondContact O-N 2.84Å; H437-G441 PolarHBondContact O-N 3.37Å
438L29.3Very low27.9Very low97 Ų97118.1 Ų118.151%0.50862%0.616SS.*Hα-helixtrans-80.4-40.1174-165.771.3000110.7V434 G435 G441 Q442V434-L438 HydrophobicContact CG1-CB 4.43Å; V434-L438 WeakPolarHBondContact O-CB 3.23Å; G435-L438 PolarHBondContact O-N 2.97Å; L438-G441 PolarHBondContact O-N 3.26Å; L438-Q442 WeakPolarHBondContact O-CB 3.44Å; L438-Q442 VanDerWaalsContact O-CG 3.27Å; L438-Q442 WeakPolarHBondContact O-CG 3.46Å; L438-Q442 PolarHBondContact O-N 3.36Å
439E31.8Very low28.4Very low126 Ų126114.4 Ų114.459%0.58960%0.604SS**Hα-helixtrans-64.6-46.6172-69.8-159.7137.600111.6G435 G441 Q442 Q443G435-E439 PolarHBondContact O-N 2.86Å; E439-G441 VanDerWaalsContact C-N 3.32Å; E439-G441 PolarHBondContact O-N 2.77Å; E439-Q442 PolarHBondContact O-N 3.42Å; E439-Q443 VanDerWaalsContact O-CB 3.3Å; E439-Q443 WeakPolarHBondContact O-CB 3.34Å; E439-Q443 VanDerWaalsContact O-CG 3.24Å; E439-Q443 WeakPolarHBondContact O-CG 3.5Å; E439-Q443 PolarHBondContact O-N 3.46Å
440Y29.7Very low29Very low150 Ų150110.7 Ų110.759%0.58859%0.594SS**Hα-helixtrans-63.4-38.3175.9-162-94.6000111.6E436 Q443 L444E436-Y440 WeakPolarHBondContact O-CB 3.26Å; E436-Y440 PolarHBondContact O-N 2.79Å; Y440-Q443 PolarHBondContact O-N 3.08Å; Y440-L444 HydrophobicContact CE1-CD1 4.37Å; Y440-L444 VanDerWaalsContact O-CB 3.3Å; Y440-L444 WeakPolarHBondContact O-CB 3.14Å; Y440-L444 PolarHBondContact O-N 2.89Å
441G28Very low29.5Very low39 Ų39112.8 Ų112.840%0.40259%0.589SS.*Hα-helixtrans-65.7-39.3173.900000113.5H437 L438 E439 S445H437-G441 PolarHBondContact O-N 3.37Å; L438-G441 PolarHBondContact O-N 3.26Å; E439-G441 VanDerWaalsContact C-N 3.32Å; E439-G441 PolarHBondContact O-N 2.77Å; G441-S445 WeakPolarHBondContact O-CB 3.41Å; G441-S445 PolarHBondContact O-N 3.47Å
442Q32.1Very low30Very low122 Ų122108.7 Ų108.757%0.5757%0.566SS**Hα-helixtrans-71.5-39.2174.2-74.5-179.321.900111.8L438 E439 S445 A446L438-Q442 WeakPolarHBondContact O-CB 3.44Å; L438-Q442 VanDerWaalsContact O-CG 3.27Å; L438-Q442 WeakPolarHBondContact O-CG 3.46Å; L438-Q442 PolarHBondContact O-N 3.36Å; E439-Q442 PolarHBondContact O-N 3.42Å; Q442-S445 PolarHBondContact O-N 3.3Å; Q442-A446 WeakPolarHBondContact O-CB 3.12Å; Q442-A446 PolarHBondContact O-N 3.4Å
443Q32Very low30.5Very low119 Ų119104.6 Ų104.656%0.55654%0.543SS*.Hα-helixtrans-65-44.4174.5-74.1175.420.200111E439 Y440 A446 L447E439-Q443 VanDerWaalsContact O-CB 3.3Å; E439-Q443 WeakPolarHBondContact O-CB 3.34Å; E439-Q443 VanDerWaalsContact O-CG 3.24Å; E439-Q443 WeakPolarHBondContact O-CG 3.5Å; E439-Q443 PolarHBondContact O-N 3.46Å; Y440-Q443 PolarHBondContact O-N 3.08Å; Q443-A446 CarbonylContact O-C 3.58Å; Q443-A446 PolarHBondContact O-N 2.91Å; Q443-L447 VanDerWaalsContact O-CB 3.31Å; Q443-L447 WeakPolarHBondContact O-CB 3.22Å; Q443-L447 PolarHBondContact O-N 3.09Å
444L29.1Very low31Very low79 Ų7999 Ų9941%0.41452%0.516SS..Hα-helixtrans-68.9-37.8177.3-149.279.5000111.9Y440 L447 H448Y440-L444 HydrophobicContact CE1-CD1 4.37Å; Y440-L444 VanDerWaalsContact O-CB 3.3Å; Y440-L444 WeakPolarHBondContact O-CB 3.14Å; Y440-L444 PolarHBondContact O-N 2.89Å; L444-L447 PolarHBondContact O-N 2.93Å; L444-H448 WeakPolarHBondContact O-CB 3.35Å; L444-H448 PolarHBondContact O-CD2 3.02Å; L444-H448 PolarHBondContact O-N 2.73Å
445S30.3Very low31.4Very low72 Ų72101.6 Ų101.650%0.50352%0.518SS..Hα-helixtrans-61.7-45.1171.1-176.90000111.5G441 Q442 T449G441-S445 WeakPolarHBondContact O-CB 3.41Å; G441-S445 PolarHBondContact O-N 3.47Å; Q442-S445 PolarHBondContact O-N 3.3Å; S445-T449 WeakPolarHBondContact O-CB 3.4Å; S445-T449 PolarHBondContact O-N 3.45Å; S445-T449 PolarHBondContact O-OG1 2.92Å
446A33Very low31.8Very low57 Ų57101.3 Ų101.347%0.47151%0.506SS..Hα-helixtrans-65.1-40.3174.900000111.5Q442 Q443 T449 H450Q442-A446 WeakPolarHBondContact O-CB 3.12Å; Q442-A446 PolarHBondContact O-N 3.4Å; Q443-A446 CarbonylContact O-C 3.58Å; Q443-A446 PolarHBondContact O-N 2.91Å; A446-T449 PolarHBondContact O-N 2.92Å; A446-H450 WeakPolarHBondContact O-CB 2.99Å; A446-H450 PolarHBondContact O-N 2.87Å
447L30.4Very low32.4Very low99 Ų9997.6 Ų97.652%0.51849%0.492SS..Hα-helixtrans-67.4-44.8178.7-147.682.7000111.1Q443 L444 H450 H451Q443-L447 VanDerWaalsContact O-CB 3.31Å; Q443-L447 WeakPolarHBondContact O-CB 3.22Å; Q443-L447 PolarHBondContact O-N 3.09Å; L444-L447 PolarHBondContact O-N 2.93Å; L447-H450 PolarHBondContact O-N 2.93Å; L447-H451 WeakPolarHBondContact O-CB 3.34Å; L447-H451 PolarHBondContact O-CD2 3.04Å; L447-H451 VanDerWaalsContact O-CD2 3.25Å; L447-H451 PolarHBondContact O-N 3.36Å
448H29.2Very low32.9Very low112 Ų11296.2 Ų96.252%0.51948%0.484SS..Hα-helixtrans-65.5-42.4175.3-82.2-136000111.5L444 H451 L452L444-H448 WeakPolarHBondContact O-CB 3.35Å; L444-H448 PolarHBondContact O-CD2 3.02Å; L444-H448 PolarHBondContact O-N 2.73Å; H448-H451 PolarHBondContact O-N 2.92Å; H448-L452 WeakPolarHBondContact O-CB 3.12Å; H448-L452 PolarHBondContact O-N 3.22Å
449T32.8Very low33.4Very low69 Ų6994.9 Ų94.942%0.42348%0.477SS..Hα-helixtrans-62.6-45.7174.6-59.30000110.4S445 A446 H451 L452 Y453S445-T449 WeakPolarHBondContact O-CB 3.4Å; S445-T449 PolarHBondContact O-N 3.45Å; S445-T449 PolarHBondContact O-OG1 2.92Å; A446-T449 PolarHBondContact O-N 2.92Å; T449-H451 PolarHBondContact O-N 3.37Å; T449-L452 PolarHBondContact O-N 3.28Å; T449-Y453 HydrophobicContact CG2-CD2 3.67Å; T449-Y453 HydrophobicContact CG2-CE2 3.83Å; T449-Y453 WeakPolarHBondContact O-CB 3.37Å; T449-Y453 WeakPolarHBondContact O-CD2 3.27Å; T449-Y453 PolarHBondContact O-N 2.78Å
450H33.5Very low33.8Very low129 Ų12991.5 Ų91.560%0.59746%0.462SS*.Hα-helixtrans-66-37.6178.1-163.8-38.2000111.6A446 L447 T454A446-H450 WeakPolarHBondContact O-CB 2.99Å; A446-H450 PolarHBondContact O-N 2.87Å; L447-H450 PolarHBondContact O-N 2.93Å; H450-T454 PolarHBondContact ND1-OG1 3.03Å; H450-T454 VanDerWaalsContact ND1-OG1 3.07Å; H450-T454 WeakPolarHBondContact O-CB 3.23Å; H450-T454 PolarHBondContact O-N 3.4Å; H450-T454 PolarHBondContact O-OG1 3.31Å
451H33.9Very low34.3Very low129 Ų12986.9 Ų86.960%0.59745%0.452SS*.Hα-helixtrans-66.6-40.4172.2-90.2-75.6000112L447 H448 T449 T454 Y455L447-H451 WeakPolarHBondContact O-CB 3.34Å; L447-H451 PolarHBondContact O-CD2 3.04Å; L447-H451 VanDerWaalsContact O-CD2 3.25Å; L447-H451 PolarHBondContact O-N 3.36Å; H448-H451 PolarHBondContact O-N 2.92Å; T449-H451 PolarHBondContact O-N 3.37Å; H451-T454 PolarHBondContact O-N 3.16Å; H451-Y455 VanDerWaalsContact O-CB 3.28Å; H451-Y455 WeakPolarHBondContact O-CB 3.3Å; H451-Y455 PolarHBondContact O-N 3.02Å
452L33Very low34.9Very low67 Ų6788 Ų8835%0.35145%0.449SS..Hα-helixtrans-66.6-46.3175.3-127.278.4000111.5L43 H448 T449 T454 Y455 V456L43-L452 HydrophobicContact CD1-CD2 4.32Å; L43-L452 HydrophobicContact CD2-CD2 3.87Å; H448-L452 WeakPolarHBondContact O-CB 3.12Å; H448-L452 PolarHBondContact O-N 3.22Å; T449-L452 PolarHBondContact O-N 3.28Å; L452-T454 PolarHBondContact O-N 3.46Å; L452-Y455 WeakPolarHBondContact O-CB 3.37Å; L452-Y455 PolarHBondContact O-N 2.58Å; L452-V456 WeakPolarHBondContact O-CG2 3.5Å; L452-V456 PolarHBondContact O-N 3.27Å
453Y35.7Very low35.2Very low106 Ų10685 Ų8542%0.41645%0.445SS..Hα-helixtrans-60.5-43.8173.2-93.3-85.8000111.1T449 Y455 V456 D457T449-Y453 HydrophobicContact CG2-CD2 3.67Å; T449-Y453 HydrophobicContact CG2-CE2 3.83Å; T449-Y453 WeakPolarHBondContact O-CB 3.37Å; T449-Y453 WeakPolarHBondContact O-CD2 3.27Å; T449-Y453 PolarHBondContact O-N 2.78Å; Y453-Y455 VanDerWaalsContact C-N 3.28Å; Y453-Y455 PolarHBondContact O-N 3.42Å; Y453-V456 PolarHBondContact O-N 3Å; Y453-D457 WeakPolarHBondContact O-CB 3.5Å; Y453-D457 PolarHBondContact O-N 2.84Å
454T37Very low35.6Very low47 Ų4785.5 Ų85.529%0.28845%0.445SS..Hα-helixtrans-68-27.3176.8-59.70000112.2H450 H451 L452 K458H450-T454 PolarHBondContact ND1-OG1 3.03Å; H450-T454 VanDerWaalsContact ND1-OG1 3.07Å; H450-T454 WeakPolarHBondContact O-CB 3.23Å; H450-T454 PolarHBondContact O-N 3.4Å; H450-T454 PolarHBondContact O-OG1 3.31Å; H451-T454 PolarHBondContact O-N 3.16Å; L452-T454 PolarHBondContact O-N 3.46Å; T454-K458 HydrophobicContact CG2-CD 4.38Å; T454-K458 WeakPolarHBondContact O-CB 3.33Å; T454-K458 WeakPolarHBondContact O-CG 3.41Å; T454-K458 PolarHBondContact O-N 3.08Å
455Y36.3Very low36.2Very low138 Ų13885.9 Ų85.954%0.54145%0.445SS..Hα-helixtrans-73.7-46.6172.6-173.9-106.5000111.3H451 L452 Y453 K458 L459H451-Y455 VanDerWaalsContact O-CB 3.28Å; H451-Y455 WeakPolarHBondContact O-CB 3.3Å; H451-Y455 PolarHBondContact O-N 3.02Å; L452-Y455 WeakPolarHBondContact O-CB 3.37Å; L452-Y455 PolarHBondContact O-N 2.58Å; Y453-Y455 VanDerWaalsContact C-N 3.28Å; Y453-Y455 PolarHBondContact O-N 3.42Å; Y455-K458 PolarHBondContact O-N 2.98Å; Y455-L459 HydrophobicContact CE1-CD1 4.18Å; Y455-L459 WeakPolarHBondContact O-CB 3.42Å; Y455-L459 PolarHBondContact O-N 3.05Å
456V36.1Very low36.7Very low41 Ų4183.6 Ų83.625%0.24843%0.427CS..Hα-helixtrans-65.1-44.3175.91720000111.2L452 Y453 K458 L459 I460L452-V456 WeakPolarHBondContact O-CG2 3.5Å; L452-V456 PolarHBondContact O-N 3.27Å; Y453-V456 PolarHBondContact O-N 3Å; V456-K458 PolarHBondContact O-N 3.3Å; V456-L459 CarbonylContact O-C 3.59Å; V456-L459 WeakPolarHBondContact O-CA 3.42Å; V456-L459 WeakPolarHBondContact O-CB 3.26Å; V456-L459 PolarHBondContact O-N 3.28Å; V456-L459 VanDerWaalsContact O-N 3.08Å; V456-I460 HydrophobicContact CG1-CD1 3.72Å; V456-I460 HydrophobicContact CG1-CG1 4.35Å; V456-I460 WeakPolarHBondContact O-CB 3.47Å; V456-I460 WeakPolarHBondContact O-CG1 3.3Å; V456-I460 PolarHBondContact O-N 2.67Å
457D39.3Very low37Very low91 Ų9183.3 Ų83.349%0.48743%0.425SS..Hα-helixtrans-64.6-36.6173-77.1-23.5000111.5Y453 L459 S461Y453-D457 WeakPolarHBondContact O-CB 3.5Å; Y453-D457 PolarHBondContact O-N 2.84Å; D457-L459 VanDerWaalsContact C-N 3.33Å; D457-S461 WeakPolarHBondContact O-CA 3.25Å; D457-S461 WeakPolarHBondContact O-CB 3.48Å; D457-S461 PolarHBondContact O-N 2.88Å
458K39.1Very low37.4Very low132 Ų13283.2 Ų83.257%0.57443%0.425SS*.Hα-helixtrans-64.9-37.2169.6-84.5176.8177.1-176.90111.6T454 Y455 V456 N462T454-K458 HydrophobicContact CG2-CD 4.38Å; T454-K458 WeakPolarHBondContact O-CB 3.33Å; T454-K458 WeakPolarHBondContact O-CG 3.41Å; T454-K458 PolarHBondContact O-N 3.08Å; Y455-K458 PolarHBondContact O-N 2.98Å; V456-K458 PolarHBondContact O-N 3.3Å; K458-N462 WeakPolarHBondContact O-CB 3.35Å; K458-N462 PolarHBondContact O-N 3.31Å; K458-N462 PolarHBondContact O-ND2 2.82Å
459L39.9Very low37.8Very low69 Ų6982.8 Ų82.836%0.36142%0.421SS..Hα-helixtrans-67.7-49.4178.3-129.1162.2000111.2F323 Y455 V456 D457 A463F323-L459 HydrophobicContact CE2-CD2 4.17Å; Y455-L459 HydrophobicContact CE1-CD1 4.18Å; Y455-L459 WeakPolarHBondContact O-CB 3.42Å; Y455-L459 PolarHBondContact O-N 3.05Å; V456-L459 CarbonylContact O-C 3.59Å; V456-L459 WeakPolarHBondContact O-CA 3.42Å; V456-L459 WeakPolarHBondContact O-CB 3.26Å; V456-L459 PolarHBondContact O-N 3.28Å; V456-L459 VanDerWaalsContact O-N 3.08Å; D457-L459 VanDerWaalsContact C-N 3.33Å; L459-A463 WeakPolarHBondContact O-CB 3.27Å; L459-A463 PolarHBondContact O-N 2.86Å
460I39.2Very low38.1Very low54 Ų5481.2 Ų81.228%0.27741%0.41SS..Hα-helixtrans-65.2-47.9176.7-66.7172.8000110.5L40 V456 N462 A463 F464L40-I460 HydrophobicContact CD2-CD1 3.87Å; V456-I460 HydrophobicContact CG1-CD1 3.72Å; V456-I460 HydrophobicContact CG1-CG1 4.35Å; V456-I460 WeakPolarHBondContact O-CB 3.47Å; V456-I460 WeakPolarHBondContact O-CG1 3.3Å; V456-I460 PolarHBondContact O-N 2.67Å; I460-N462 PolarHBondContact O-N 3.48Å; I460-A463 PolarHBondContact O-N 2.88Å; I460-F464 HydrophobicContact CG2-CD2 3.76Å; I460-F464 HydrophobicContact CG2-CE2 4Å; I460-F464 WeakPolarHBondContact O-CB 3.19Å; I460-F464 WeakPolarHBondContact O-CD2 3.46Å; I460-F464 PolarHBondContact O-N 3.2Å
461S40.9Very low38.3Very low53 Ų5380.8 Ų80.837%0.37141%0.41SS..Hα-helixtrans-65.5-38.3178.7-172.40000111.9D457 Q465D457-S461 WeakPolarHBondContact O-CA 3.25Å; D457-S461 WeakPolarHBondContact O-CB 3.48Å; D457-S461 PolarHBondContact O-N 2.88Å; S461-Q465 WeakPolarHBondContact O-CB 3.13Å; S461-Q465 WeakPolarHBondContact O-CG 3.21Å; S461-Q465 PolarHBondContact O-N 3.22Å; S461-Q465 PolarHBondContact OG-NE2 3.14Å; S461-Q465 VanDerWaalsContact OG-NE2 3.08Å
462N39.5Very low38.6Very low64 Ų6477.8 Ų77.834%0.34240%0.403SS..Hα-helixtrans-66.9-40.5173-75.8-21.4000111.8K458 I460 Q465 N466K458-N462 WeakPolarHBondContact O-CB 3.35Å; K458-N462 PolarHBondContact O-N 3.31Å; K458-N462 PolarHBondContact O-ND2 2.82Å; I460-N462 PolarHBondContact O-N 3.48Å; N462-Q465 PolarHBondContact O-N 3.08Å; N462-N466 VanDerWaalsContact O-CB 3.27Å; N462-N466 WeakPolarHBondContact O-CB 3.16Å; N462-N466 PolarHBondContact O-N 3.43Å
463A40Very low38.8Very low59 Ų5983.8 Ų83.849%0.48842%0.421SS..Hα-helixtrans-60.8-50174.300000111.4L459 I460 N466 A467L459-A463 WeakPolarHBondContact O-CB 3.27Å; L459-A463 PolarHBondContact O-N 2.86Å; I460-A463 PolarHBondContact O-N 2.88Å; A463-N466 PolarHBondContact O-N 3.19Å; A463-A467 VanDerWaalsContact O-CB 3.32Å; A463-A467 WeakPolarHBondContact O-CB 3.24Å; A463-A467 PolarHBondContact O-N 3.38Å
464F39.8Very low38.8Very low128 Ų12879.9 Ų79.956%0.56141%0.41SS*.Hα-helixtrans-65-38.6176.3-90.2-79.4000113I460 N468I460-F464 HydrophobicContact CG2-CD2 3.76Å; I460-F464 HydrophobicContact CG2-CE2 4Å; I460-F464 WeakPolarHBondContact O-CB 3.19Å; I460-F464 WeakPolarHBondContact O-CD2 3.46Å; I460-F464 PolarHBondContact O-N 3.2Å; F464-N468 WeakPolarHBondContact O-CB 3.14Å; F464-N468 PolarHBondContact O-N 3.17Å; F464-N468 PolarHBondContact O-ND2 2.85Å
465Q41.2Very low38.9Very low87 Ų8782.1 Ų82.141%0.40742%0.42SS..Hα-helixtrans-67.2-41.1176-79-178.349.900111.7S461 N462 N468 K469S461-Q465 WeakPolarHBondContact O-CB 3.13Å; S461-Q465 WeakPolarHBondContact O-CG 3.21Å; S461-Q465 PolarHBondContact O-N 3.22Å; S461-Q465 PolarHBondContact OG-NE2 3.14Å; S461-Q465 VanDerWaalsContact OG-NE2 3.08Å; N462-Q465 PolarHBondContact O-N 3.08Å; Q465-N468 PolarHBondContact O-N 3.3Å; Q465-K469 WeakPolarHBondContact O-CB 3.32Å; Q465-K469 WeakPolarHBondContact O-CG 3.49Å; Q465-K469 PolarHBondContact O-N 3.33Å
466N40.6Very low39Very low24 Ų2480.5 Ų80.513%0.12842%0.42CS..Hα-helixtrans-72.7-36.1179.4-68-7000111.2N462 A463 K469 L470 F641 N645N462-N466 VanDerWaalsContact O-CB 3.27Å; N462-N466 WeakPolarHBondContact O-CB 3.16Å; N462-N466 PolarHBondContact O-N 3.43Å; A463-N466 PolarHBondContact O-N 3.19Å; N466-K469 PolarHBondContact O-N 3.06Å; N466-K469 PolarHBondContact OD1-NZ 2.91Å; N466-L470 WeakPolarHBondContact O-CB 3.33Å; N466-L470 PolarHBondContact O-N 2.86Å; N466-F641 WeakPolarHBondContact ND2-CE2 3.26Å; N466-N645 PolarHBondContact ND2-OD1 2.83Å
467A39Very low39Very low51 Ų5183.2 Ų83.242%0.42143%0.433SS..Hα-helixtrans-60.4-45.4168.600000112.2A463 L470 M471A463-A467 VanDerWaalsContact O-CB 3.32Å; A463-A467 WeakPolarHBondContact O-CB 3.24Å; A463-A467 PolarHBondContact O-N 3.38Å; A467-L470 PolarHBondContact O-N 3.46Å; A467-M471 PolarHBondContact O-N 3.39Å
468N38.8Very low38.9Very low97 Ų9781.5 Ų81.552%0.51943%0.428SS..Hα-helixtrans-66.9-37.4176.5-82.8-69.3000113F464 Q465 M471 S472F464-N468 WeakPolarHBondContact O-CB 3.14Å; F464-N468 PolarHBondContact O-N 3.17Å; F464-N468 PolarHBondContact O-ND2 2.85Å; Q465-N468 PolarHBondContact O-N 3.3Å; N468-M471 PolarHBondContact O-N 3.43Å; N468-S472 PolarHBondContact O-N 3.24Å
469K38.9Very low38.8Very low104 Ų10482.3 Ų82.345%0.45243%0.431SS..Hα-helixtrans-62.6-42.1171.7-73.9165.9-169.7165.20111.1Q465 N466 S472 W473Q465-K469 WeakPolarHBondContact O-CB 3.32Å; Q465-K469 WeakPolarHBondContact O-CG 3.49Å; Q465-K469 PolarHBondContact O-N 3.33Å; N466-K469 PolarHBondContact O-N 3.06Å; N466-K469 PolarHBondContact OD1-NZ 2.91Å; K469-S472 PolarHBondContact O-N 3Å; K469-S472 PolarHBondContact O-OG 3.08Å; K469-W473 WeakPolarHBondContact O-CB 3.44Å; K469-W473 VanDerWaalsContact O-CD1 3.24Å; K469-W473 PolarHBondContact O-N 3.26Å
470L39Very low38.6Very low35 Ų3583.8 Ų83.818%0.18344%0.436CS..Hα-helixtrans-67.3-37.7175.7-91.1158000112.7N466 A467 S474 A648 V649 L652N466-L470 WeakPolarHBondContact O-CB 3.33Å; N466-L470 PolarHBondContact O-N 2.86Å; A467-L470 PolarHBondContact O-N 3.46Å; L470-S474 WeakPolarHBondContact O-CB 3.44Å; L470-S474 PolarHBondContact O-N 2.88Å; L470-A648 HydrophobicContact CD1-CB 3.91Å; L470-V649 HydrophobicContact CD2-CG2 4.12Å; L470-L652 HydrophobicContact CB-CD1 4.02Å; L470-L652 HydrophobicContact CD1-CD1 3.78Å; L470-L652 HydrophobicContact CD2-CB 4.36Å; L470-L652 HydrophobicContact CD2-CD1 3.91Å; L470-L652 HydrophobicContact CG-CD1 4.11Å
471M37.7Very low38.4Very low120 Ų12084 Ų8459%0.59144%0.437SS*.Hα-helixtrans-66-34171.5-75-167.3176.800112.9A467 N468 N475A467-M471 PolarHBondContact O-N 3.39Å; N468-M471 PolarHBondContact O-N 3.43Å; M471-N475 PolarHBondContact O-N 2.98Å; M471-N475 VanDerWaalsContact O-N 3.16Å; M471-N475 PolarHBondContact O-ND2 3.33Å
472S39.2Very low38Very low66 Ų6686.6 Ų86.646%0.46245%0.446SS..Hα-helixtrans-75-40.3176.575.90000112.3N468 K469 N475 L476N468-S472 PolarHBondContact O-N 3.24Å; K469-S472 PolarHBondContact O-N 3Å; K469-S472 PolarHBondContact O-OG 3.08Å; S472-N475 PolarHBondContact O-N 3.46Å; S472-L476 WeakPolarHBondContact O-CB 3.45Å; S472-L476 PolarHBondContact O-N 3.12Å
473W37.7Very low37.7Very low193 Ų19386.5 Ų86.573%0.73145%0.451SS*.Hα-helixtrans-64-43.5173.1-81.343.3000111.8K469 N475 L476 L477K469-W473 WeakPolarHBondContact O-CB 3.44Å; K469-W473 VanDerWaalsContact O-CD1 3.24Å; K469-W473 PolarHBondContact O-N 3.26Å; W473-N475 VanDerWaalsContact C-N 3.33Å; W473-N475 PolarHBondContact O-N 3.43Å; W473-L476 PolarHBondContact O-N 3.07Å; W473-L476 VanDerWaalsContact O-N 3.16Å; W473-L477 WeakPolarHBondContact O-CB 3.46Å; W473-L477 PolarHBondContact O-N 2.94Å
474S36.7Very low37.4Very low24 Ų2489.6 Ų89.617%0.16846%0.455CS..Hα-helixtrans-51.4-50170.41570000112.1L470 L476 S478 F656L470-S474 WeakPolarHBondContact O-CB 3.44Å; L470-S474 PolarHBondContact O-N 2.88Å; S474-L476 PolarHBondContact O-N 3.27Å; S474-S478 WeakPolarHBondContact O-CB 3.34Å; S474-S478 PolarHBondContact O-N 3.38Å; S474-S478 PolarHBondContact O-OG 3.28Å; S474-F656 WeakPolarHBondContact OG-CZ 3.35Å
475N37.8Very low36.9Very low94 Ų9486.8 Ų86.850%0.50345%0.448SS..Hα-helixtrans-68-32.5179.1-87.3-76.8000113.2M471 S472 W473 K479M471-N475 PolarHBondContact O-N 2.98Å; M471-N475 VanDerWaalsContact O-N 3.16Å; M471-N475 PolarHBondContact O-ND2 3.33Å; S472-N475 PolarHBondContact O-N 3.46Å; W473-N475 VanDerWaalsContact C-N 3.33Å; W473-N475 PolarHBondContact O-N 3.43Å; N475-K479 WeakPolarHBondContact O-CB 3.37Å; N475-K479 VanDerWaalsContact O-CG 3.28Å; N475-K479 WeakPolarHBondContact O-CG 3.5Å; N475-K479 PolarHBondContact O-N 2.76Å
476L38.6Very low36.5Very low104 Ų10490.1 Ų90.155%0.54546%0.462SS..Hα-helixtrans-70.3-51.3176.9-166.673.1000110.9S472 W473 S474 S478 K479 Q480S472-L476 WeakPolarHBondContact O-CB 3.45Å; S472-L476 PolarHBondContact O-N 3.12Å; W473-L476 PolarHBondContact O-N 3.07Å; W473-L476 VanDerWaalsContact O-N 3.16Å; S474-L476 PolarHBondContact O-N 3.27Å; L476-S478 VanDerWaalsContact C-N 3.33Å; L476-S478 PolarHBondContact O-N 3.44Å; L476-K479 WeakPolarHBondContact O-CB 3.36Å; L476-K479 PolarHBondContact O-N 3.5Å; L476-Q480 PolarHBondContact O-N 3.41Å
477L36.7Very low36Very low98 Ų9898.2 Ų98.251%0.51349%0.492SS..Hα-helixtrans-60.7-42.9178.2-155.883000111W473 K479 Q480 I481W473-L477 WeakPolarHBondContact O-CB 3.46Å; W473-L477 PolarHBondContact O-N 2.94Å; L477-K479 VanDerWaalsContact C-N 3.26Å; L477-K479 PolarHBondContact O-N 2.74Å; L477-Q480 PolarHBondContact O-N 3.42Å; L477-I481 HydrophobicContact CD2-CD1 4.19Å; L477-I481 HydrophobicContact CG-CD1 4.05Å; L477-I481 WeakPolarHBondContact O-CB 3.44Å; L477-I481 WeakPolarHBondContact O-CG1 3.01Å; L477-I481 PolarHBondContact O-N 3.32Å
478S36.1Very low35.6Very low55 Ų5599.3 Ų99.339%0.38550%0.496SS..Hα-helixtrans-60.1-34.2174.9-64.20000112.7S474 L476 L482S474-S478 WeakPolarHBondContact O-CB 3.34Å; S474-S478 PolarHBondContact O-N 3.38Å; S474-S478 PolarHBondContact O-OG 3.28Å; L476-S478 VanDerWaalsContact C-N 3.33Å; L476-S478 PolarHBondContact O-N 3.44Å; S478-L482 VanDerWaalsContact O-CB 3.27Å; S478-L482 WeakPolarHBondContact O-CB 3.37Å; S478-L482 PolarHBondContact O-N 3.28Å; S478-L482 VanDerWaalsContact O-N 3.13Å
479K37.9Very low35.1Very low149 Ų14999.7 Ų99.765%0.64851%0.505SS*.Hα-helixtrans-76.5-38.4175.9-77.4174.6179.6-176.60112.5N475 L476 L477 L482 S483N475-K479 WeakPolarHBondContact O-CB 3.37Å; N475-K479 VanDerWaalsContact O-CG 3.28Å; N475-K479 WeakPolarHBondContact O-CG 3.5Å; N475-K479 PolarHBondContact O-N 2.76Å; L476-K479 WeakPolarHBondContact O-CB 3.36Å; L476-K479 PolarHBondContact O-N 3.5Å; L477-K479 VanDerWaalsContact C-N 3.26Å; L477-K479 PolarHBondContact O-N 2.74Å; K479-L482 PolarHBondContact O-N 3.48Å; K479-S483 PolarHBondContact O-N 2.79Å
480Q36.2Very low34.8Very low101 Ų101100.5 Ų100.547%0.47252%0.519SS..Hα-helixtrans-63.5-50.6175-72176.1-69.600110.8L476 L477 L482 S483 E484L476-Q480 PolarHBondContact O-N 3.41Å; L477-Q480 PolarHBondContact O-N 3.42Å; Q480-L482 VanDerWaalsContact C-N 3.29Å; Q480-L482 PolarHBondContact O-N 2.94Å; Q480-S483 CarbonylContact O-C 3.36Å; Q480-S483 WeakPolarHBondContact O-CA 3.46Å; Q480-S483 WeakPolarHBondContact O-CB 3.44Å; Q480-S483 PolarHBondContact O-N 3.09Å; Q480-S483 PolarHBondContact O-OG 3.49Å; Q480-E484 PolarHBondContact O-N 2.91Å
481I33.2Very low34.3Very low57 Ų57102.8 Ų102.829%0.29254%0.537SS..Hα-helixtrans-60.6-38176.6-64.8166.9000111.1L477 S483 E484 V485 Y660L477-I481 HydrophobicContact CD2-CD1 4.19Å; L477-I481 HydrophobicContact CG-CD1 4.05Å; L477-I481 WeakPolarHBondContact O-CB 3.44Å; L477-I481 WeakPolarHBondContact O-CG1 3.01Å; L477-I481 PolarHBondContact O-N 3.32Å; I481-S483 VanDerWaalsContact C-N 3.26Å; I481-S483 PolarHBondContact O-N 3.45Å; I481-E484 PolarHBondContact O-N 2.73Å; I481-V485 HydrophobicContact CG2-CG2 4.25Å; I481-V485 WeakPolarHBondContact O-CB 3.39Å; I481-V485 VanDerWaalsContact O-CG2 3.28Å; I481-V485 WeakPolarHBondContact O-CG2 3.27Å; I481-V485 PolarHBondContact O-N 3.29Å; I481-Y660 HydrophobicContact CG2-CE2 4.26Å
482L33.5Very low33.8Very low108 Ų108105.2 Ų105.257%0.56555%0.547SS*.Hα-helixtrans-66.5-27174.4-160.878.1000112.9S478 K479 Q480 K486S478-L482 VanDerWaalsContact O-CB 3.27Å; S478-L482 WeakPolarHBondContact O-CB 3.37Å; S478-L482 PolarHBondContact O-N 3.28Å; S478-L482 VanDerWaalsContact O-N 3.13Å; K479-L482 PolarHBondContact O-N 3.48Å; Q480-L482 VanDerWaalsContact C-N 3.29Å; Q480-L482 PolarHBondContact O-N 2.94Å; L482-K486 WeakPolarHBondContact O-CB 3.07Å; L482-K486 PolarHBondContact O-N 2.75Å
483S34.1Very low33.3Very low62 Ų62109 Ų10943%0.43456%0.562SS.*Hα-helixtrans-79.3-38.5174.274.10000112.5K479 Q480 I481 K486 Y487K479-S483 PolarHBondContact O-N 2.79Å; Q480-S483 CarbonylContact O-C 3.36Å; Q480-S483 WeakPolarHBondContact O-CA 3.46Å; Q480-S483 WeakPolarHBondContact O-CB 3.44Å; Q480-S483 PolarHBondContact O-N 3.09Å; Q480-S483 PolarHBondContact O-OG 3.49Å; I481-S483 VanDerWaalsContact C-N 3.26Å; I481-S483 PolarHBondContact O-N 3.45Å; S483-K486 WeakPolarHBondContact O-CB 3.31Å; S483-K486 PolarHBondContact O-N 2.93Å; S483-Y487 PolarHBondContact O-N 3.28Å; S483-Y487 VanDerWaalsContact O-N 3.14Å
484E32.1Very low32.9Very low124 Ų124108.6 Ų108.658%0.57957%0.568SS**Hα-helixtrans-68.3-44.8175.6-69.2178.8140.800111.4Q480 I481 K486 Y487 S488Q480-E484 PolarHBondContact O-N 2.91Å; I481-E484 PolarHBondContact O-N 2.73Å; E484-K486 PolarHBondContact O-N 3.02Å; E484-Y487 CarbonylContact O-C 3.59Å; E484-Y487 WeakPolarHBondContact O-CA 3.42Å; E484-Y487 WeakPolarHBondContact O-CB 3.44Å; E484-Y487 PolarHBondContact O-N 3.07Å; E484-S488 PolarHBondContact O-N 2.83Å; E484-S488 PolarHBondContact O-OG 3.38Å
485V30.7Very low32.4Very low69 Ų69115 Ų11542%0.41860%0.6SS.*Hα-helixtrans-60.2-34.7173.3171.40000111.2I481 Y487 S488 C489I481-V485 HydrophobicContact CG2-CG2 4.25Å; I481-V485 WeakPolarHBondContact O-CB 3.39Å; I481-V485 VanDerWaalsContact O-CG2 3.28Å; I481-V485 WeakPolarHBondContact O-CG2 3.27Å; I481-V485 PolarHBondContact O-N 3.29Å; V485-Y487 VanDerWaalsContact C-N 3.32Å; V485-Y487 PolarHBondContact O-N 3.02Å; V485-S488 PolarHBondContact O-N 2.92Å; V485-C489 WeakPolarHBondContact O-CB 3.48Å; V485-C489 PolarHBondContact O-N 3.26Å; V485-C489 PolarHBondContact O-SG 3.42Å; V485-C489 VanDerWaalsContact O-SG 3.36Å
486K32.8Very low31.9Very low157 Ų157118.3 Ų118.368%0.68362%0.618SS**Hα-helixtrans-63.8-33171.1-100.2-170.4172.1-170.70113.4L482 S483 E484 V490L482-K486 WeakPolarHBondContact O-CB 3.07Å; L482-K486 PolarHBondContact O-N 2.75Å; S483-K486 WeakPolarHBondContact O-CB 3.31Å; S483-K486 PolarHBondContact O-N 2.93Å; E484-K486 PolarHBondContact O-N 3.02Å; K486-V490 VanDerWaalsContact O-CG2 3.27Å; K486-V490 WeakPolarHBondContact O-CG2 3.27Å
487Y30.1Very low31.2Very low195 Ų195117 Ų11777%0.76563%0.629SS**Hα-helixtrans-74.5-44.8172.5-95.8-86.8000111.8S483 E484 V485 C489 V490 S491S483-Y487 PolarHBondContact O-N 3.28Å; S483-Y487 VanDerWaalsContact O-N 3.14Å; E484-Y487 CarbonylContact O-C 3.59Å; E484-Y487 WeakPolarHBondContact O-CA 3.42Å; E484-Y487 WeakPolarHBondContact O-CB 3.44Å; E484-Y487 PolarHBondContact O-N 3.07Å; V485-Y487 VanDerWaalsContact C-N 3.32Å; V485-Y487 PolarHBondContact O-N 3.02Å; Y487-C489 PolarHBondContact O-N 3.26Å; Y487-V490 PolarHBondContact O-N 3.48Å; Y487-S491 PolarHBondContact O-N 2.82Å
488S29.5Very low30.6Very low74 Ų74117.1 Ų117.152%0.51764%0.639SS.*Hα-helixtrans-61.5-45.1179.6-52.30000112.4E484 V485 V490 S491E484-S488 PolarHBondContact O-N 2.83Å; E484-S488 PolarHBondContact O-OG 3.38Å; V485-S488 PolarHBondContact O-N 2.92Å; S488-V490 PolarHBondContact O-N 3.23Å; S488-S491 PolarHBondContact O-N 3.1Å; S488-S491 PolarHBondContact O-OG 2.82Å
489C28.9Very low30.1Very low104 Ų104121.7 Ų121.770%0.70366%0.659SS**THydrogen-bonded Turntrans-69.7-7.7178.9-680000114.4V485 Y487V485-C489 WeakPolarHBondContact O-CB 3.48Å; V485-C489 PolarHBondContact O-N 3.26Å; V485-C489 PolarHBondContact O-SG 3.42Å; V485-C489 VanDerWaalsContact O-SG 3.36Å; Y487-C489 PolarHBondContact O-N 3.26Å
490V31.5Very low29.4Very low121 Ų121123.2 Ų123.273%0.73367%0.67SS**THydrogen-bonded Turntrans-94.9-14.6171.9171.20000111.9K486 Y487 S488K486-V490 VanDerWaalsContact O-CG2 3.27Å; K486-V490 WeakPolarHBondContact O-CG2 3.27Å; Y487-V490 PolarHBondContact O-N 3.48Å; S488-V490 PolarHBondContact O-N 3.23Å
491S29.7Very low28.9Very low83 Ų83126.5 Ų126.558%0.5869%0.688SS**SBendtrans-92.48.1-173.170.40000116.7Y487 S488Y487-S491 PolarHBondContact O-N 2.82Å; S488-S491 PolarHBondContact O-N 3.1Å; S488-S491 PolarHBondContact O-OG 2.82Å
492H27.4Very low28.4Very low172 Ų172133.2 Ų133.280%0.79672%0.715SS**SBendtrans-134.114.1-171-104.645.2000116.7
493D27Very low28Very low146 Ų146132.6 Ų132.678%0.78172%0.719SS**SBendtrans-149.483.8167.4-117.9-34.4000112.3
494H30.1Very low27.5Very low184 Ų184137.7 Ų137.785%0.85274%0.739SS**  trans174.9103.1138.9-90.5-23.9000111.8
495N26.7Very low27Very low157 Ų157138.5 Ų138.584%0.8475%0.747SS**  trans-78.8135.5157.3-92.7-37.4000109.7
496N26.3Very low26.7Very low165 Ų165141.9 Ų141.988%0.88276%0.763SS**  trans97.6111.4174.8-53.5-35.2000116.1
497G25.1Very low26.3Very low75 Ų75142.3 Ų142.377%0.77377%0.772SS**  trans173.921.9176.200000118.5
498S24.5Very low25.9Very low102 Ų102141.5 Ų141.571%0.71378%0.777SS**  trans7.1133170.661.60000122.1
499N23.9Very low25.6Very low150 Ų150142.1 Ų142.180%0.80279%0.787SS**  trans102.1139.8150.9-56.3-40.5000118.7
500M24.6Very low25.4Very low181 Ų181143.2 Ų143.289%0.89279%0.79SS**  trans65.1127.8-169.7-54.1-17372.900113.5
501M25.5Very low25Very low170 Ų170145.1 Ų145.184%0.83779%0.791SS**  cis-138.6140.95.2-169.9153.8121.300111.4
502K23.3Very low24.8Very low198 Ų198149.8 Ų149.886%0.86180%0.802SS**  trans-85.5139.3172.4-64.9171.4175.7175.60109.5
503S24.1Very low24.6Very low95 Ų95148 Ų14866%0.66480%0.798SS**  147.3128.7120.465.80000113.8
504M22.9Very low24.5Very low170 Ų170152.8 Ų152.884%0.83781%0.805SS**  trans56140.3161.3-72.7102.1159.900117.8
505N23.2Very low24.2Very low140 Ų140149.9 Ų149.975%0.74980%0.8SS**  cis66.4140.146.6-89.143.2000115.1
506D22.5Very low24.1Very low141 Ų141149.7 Ų149.775%0.75480%0.799SS**  trans66.4134.7174.4-39.8-32.9000113.2
507D24.5Very low24.1Very low166 Ų166146.6 Ų146.689%0.88879%0.79SS**  cis-120.9170.819.5-102.4-43.5000115.1
508M22.4Very low24.1Very low177 Ų177148.9 Ų148.987%0.87279%0.79SS**  trans-82.2177.8178.9-97.4-176.5-72.700114.8
509A23.3Very low24.3Very low88 Ų88151.1 Ų151.173%0.72779%0.792SS**  trans-53.6177.5158.500000113.5
510V24Very low24.4Very low126 Ų126150.5 Ų150.576%0.76479%0.789SS**  trans80.4127.1-179.6-167.50000110.6
511E23.5Very low24.6Very low161 Ų161147.9 Ų147.975%0.75278%0.783SS**  cis-145.9167.819.1-146.8156.3178.800115.4
512F25.3Very low24.7Very low182 Ų182143.7 Ų143.780%0.79878%0.775SS**SBendtrans-60.3128.3151.1-140.1-101000108.9
513N23.8Very low24.7Very low133 Ų133139.2 Ų139.271%0.71177%0.769SS**  trans72.6128.7-171.3-45-62.7000115.9
514R24Very low24.7Very low248 Ų248141.8 Ų141.894%0.93678%0.775SS**  trans-135.289.1148.5-155.4178.8-157.8165.310.2109.2
515T24.1Very low24.9Very low122 Ų122144.5 Ų144.575%0.74878%0.776SS**  trans-69.9132.8162.634.60000109
516N24.4Very low25Very low153 Ų153145 Ų14582%0.81878%0.778SS**  trans43.6102.9164.6-59.6-4.9000119
517S26.3Very low25.1Very low100 Ų100145.1 Ų145.170%0.69977%0.774SS**  trans-58.1150.6135.849.40000110.3
518T25.9Very low25.1Very low124 Ų124144.7 Ų144.776%0.76177%0.766SS**  cis-171.5160.11.816.40000108.1
519I28.9Very low25.2Very low148 Ų148142 Ų14276%0.75976%0.756SS**  166.2116.9125.2-86.7165.8000112.6
520N26.8Very low25.4Very low137 Ų137145 Ų14573%0.73375%0.754SS**  trans61.4119.5142.8-66.1-0.3000125.9
521V28Very low25.4Very low127 Ų127147.4 Ų147.477%0.7776%0.757SS**  90.7100.2117.5174.70000120.5
522A26.8Very low25.6Very low82 Ų82146.6 Ų146.668%0.67876%0.756SS**  73.3118126.100000123.4
523S24.9Very low25.5Very low103 Ų103144.2 Ų144.272%0.7275%0.751SS**  81.5109.1126.4-63.10000122.1
524N24Very low25.6Very low150 Ų150144.1 Ų144.180%0.80275%0.747SS**  trans80.4137.3135.6-72.8-30.1000121.8
525R27.1Very low25.7Very low227 Ų227140.1 Ų140.186%0.85774%0.736SS**  trans76.196.9158.1-66.7170.9-176.9-179.70.3119.3
526L23.6Very low25.9Very low151 Ų151140.1 Ų140.179%0.79174%0.741SS**  47.4130.2108.3-75.9174.1000121.5
527H25.4Very low26.3Very low143 Ų143138.8 Ų138.866%0.66274%0.741SS**  trans75.5126.8155.8-78.1-86.5000120.7
528E25Very low26.1Very low156 Ų156142.2 Ų142.273%0.72975%0.746SS**  trans68138.8139-73.9156.1-15100119.5
529D24.8Very low26.1Very low122 Ų122143.2 Ų143.265%0.65274%0.742SS**  cis-161.3174.2-6.5-142.8-30.3000113
530H27.6Very low25.8Very low151 Ų151143.6 Ų143.670%0.69974%0.74SS**  trans65.6100.6153.6-65.75.8000122.5
531H23.5Very low25.6Very low176 Ų176143 Ų14382%0.81574%0.735SS**  48.3154.4110.7-99-78.9000125.3
532I26.3Very low25.5Very low143 Ų143143.1 Ų143.173%0.73373%0.732SS**  trans79.9129.7152.9-73160.8000116.2
533D25.2Very low25.5Very low132 Ų132146.5 Ų146.571%0.70673%0.734SS**  cis-163.5176.2-5.6-136.6-32000115
534E24.4Very low25.4Very low131 Ų131148.4 Ų148.461%0.61273%0.731SS**  trans68.7133.9144.8-78.8-161.7138.600125.8
535K27.5Very low25.4Very low165 Ų165148 Ų14872%0.71773%0.729SS**  trans80.5126.1137.9-75.1165.4-177.6147.60122.5
536S28.2Very low25.2Very low122 Ų122140.9 Ų140.985%0.85373%0.727SS**  trans-132.3142.4148.3-57.30000109.4
537P31.4Very low25.1Very low125 Ų125138.8 Ų138.881%0.81272%0.724SS**  trans-127.6176.9157.733.5-18000113.2
538Q23.6Very low24.9Very low172 Ų172141 Ų14180%0.80473%0.733SS**  trans-109.9-174.3-162.6-60.2158.4-74.300114.2
539H25.5Very low25Very low145 Ų145143.6 Ų143.667%0.67174%0.741SS**  trans103.5121.1165.4-62.3-78.9000116.2
540Q22.5Very low24.9Very low156 Ų156143.3 Ų143.373%0.72975%0.748SS**  84.8143.652.6-76.2-172.7-1000112.4
541I23Very low24.9Very low123 Ų123143.4 Ų143.463%0.63175%0.749SS**  cis-168.8-179.9-2.2-117.9170.2000110.8
542N25.2Very low25Very low131 Ų131142.9 Ų142.970%0.70174%0.744SS**  trans77.8159.5164.4-72.9-20.3000119.3
543Q26.8Very low25Very low152 Ų152145.7 Ų145.771%0.7175%0.751SS**  cis-176.3170.1-22.9-102.4-175.343.700108.5
544Q22.8Very low24.9Very low144 Ų144144.7 Ų144.767%0.67375%0.753SS**  cis-169.8167.7-35.5-140.4-17010.100111.3
545N24.6Very low25Very low140 Ų140144.1 Ų144.175%0.74976%0.761SS**  trans76.4154.2153.9-57.5-26.7000122.5
546G22.1Very low24.9Very low79 Ų79141.6 Ų141.681%0.81476%0.759SS**  trans-94.9-153.1-165.900000117.6
547S22.3Very low24.7Very low106 Ų106142.6 Ų142.674%0.74176%0.755SS**  cis-166.2173.817.263.20000115
548F21Very low24.4Very low191 Ų191143.9 Ų143.984%0.83876%0.755SS**  trans56.2110.5158.2-79.4-71.9000123.6
549K27.5Very low24.4Very low209 Ų209143.2 Ų143.291%0.90976%0.756SS**  -174.4160.8107.8-105.8-179.1179.2179.50112.3
550C22.9Very low24.3Very low117 Ų117142.8 Ų142.879%0.79176%0.759SS**  trans-116.8148.4-166.4-48.70000114.8
551E26.4Very low24.4Very low153 Ų153142.7 Ų142.772%0.71576%0.758SS**  trans-151146.1145.6-89-124104.100110
552K26.8Very low24.4Very low165 Ų165143.2 Ų143.272%0.71776%0.762SS**  trans21.1130.2157.7-60.3146.3-175.3153.60118.7
553K25.5Very low24.3Very low202 Ų202145.3 Ų145.388%0.87877%0.768SS**  cis-158.513813.8-131.6-179.1-177.7-173.70112.4
554C23.1Very low24.2Very low111 Ų111142.3 Ų142.375%0.7576%0.764SS**  trans-62.4172.4169.8-62.70000113.2
555P26.8Very low24.2Very low119 Ų119143.2 Ų143.277%0.77377%0.768SS**  cis-1341461835.3-14.3000119.5
556T25.7Very low24.1Very low112 Ų112143.7 Ų143.769%0.68777%0.766SS**  trans-75.9-166.5152.838.80000108.8
557D24.2Very low24.1Very low143 Ų143146.2 Ų146.277%0.76576%0.759SS**  cis-157.3160.744.3-68.2-61.1000112.2
558D25.4Very low24.1Very low152 Ų152147.5 Ų147.581%0.81376%0.757SS**  trans-97.7155.2163.6-74.5-63.7000110.1
559L23.6Very low24.2Very low158 Ų158144.2 Ų144.283%0.82775%0.748SS**  trans66.6158.3167.7-60.7159.3000115.4
560D23.2Very low24.1Very low136 Ų136144.2 Ų144.273%0.72775%0.748SS**  cis-144.8-169-1.5-145.1-18000112.4
561E24.3Very low24.1Very low154 Ų154142.6 Ų142.672%0.7274%0.737SS**  trans-51.9170-177.6-61.6-171.5149.200119.1
562N22.1Very low24.1Very low133 Ų133141.8 Ų141.871%0.71175%0.745SS**  trans73.395.7161.3-60-64.5000115.7
563Q24.4Very low23.9Very low175 Ų175138.7 Ų138.782%0.81874%0.744SS**  -161.8147.861.7-87.5-173.87.400115.5
564S22.9Very low24Very low90 Ų90134.3 Ų134.363%0.62974%0.737SS**  trans52.5107.4132.7-53.70000120.9
565H22.8Very low24.1Very low163 Ų163138.5 Ų138.576%0.75575%0.745SS**  62.8127.5125.7-80.4-59.4000121.8
566Q23Very low23.8Very low150 Ų150140.2 Ų140.270%0.70175%0.747SS**  trans89.9109.1130.1-74.3-179.333.800120.6
567I22.6Very low23.5Very low131 Ų131139.9 Ų139.967%0.67275%0.748SS**  93.5132.3114.2-75.2175.6000119.5
568L22.3Very low23.5Very low134 Ų134142.3 Ų142.370%0.70275%0.754SS**  trans66.2100.1160.9-70.3163.7000120.2
569N23.1Very low23.3Very low122 Ų122141.9 Ų141.965%0.65275%0.749SS**  64.9126.1120.5-64.86.5000120.6
570K25.3Very low23.2Very low209 Ų209141.7 Ų141.791%0.90974%0.742SS**  -139.4103.1103.7-109.4166.1-172.8174.20112.1
571C23.2Very low23.2Very low82 Ų82139.7 Ų139.755%0.55474%0.738SS**  trans-66.5149.8152.2-580000108.8S573C571-S573 PolarHBondContact O-N 2.88Å
572P25.3Very low23.1Very low137 Ų137138 Ų13889%0.8974%0.739SS**  trans-70.5116.6153.230.4-29.9000108.4
573S23.5Very low23.2Very low99 Ų99139.1 Ų139.169%0.69274%0.74SS**  trans-163.3159.6177.663.30000109.4C571C571-S573 PolarHBondContact O-N 2.88Å
574P28Very low23.2Very low111 Ų111136.2 Ų136.272%0.72173%0.734SS**  cis-124.3-178.6-640.8-27.4000112.3
575E23.8Very low23.3Very low199 Ų199138.1 Ų138.193%0.9374%0.737SS**  -157161.3123.5-116.3167.2-153.700110.3
576L21.3Very low23.4Very low154 Ų154136.6 Ų136.681%0.80674%0.735SS**  trans-133.2150.2-162.3-119.7166.8000111
577C20Very low23.5Very low106 Ų106134.6 Ų134.672%0.71674%0.738SS**  trans62.1111.3171.6-61.50000117.1
578H24.2Very low23.6Very low193 Ų193133.4 Ų133.489%0.89474%0.741SS**  -152155.7104-123-91.4000114.5
579M20.7Very low23.9Very low144 Ų144135 Ų13571%0.70975%0.749SS**  trans-85.8150.4-167.2-118.5171.33700113.8
580F21.4Very low24Very low153 Ų153135.2 Ų135.267%0.67176%0.755SS**  trans44.2135.2160.3-61.8-85.6000118.5
581S22.4Very low24.1Very low94 Ų94133.8 Ų133.866%0.65775%0.748SS**  -179.6158.672.8-65.30000111.9
582T22.9Very low24.3Very low118 Ų118136.5 Ų136.572%0.72476%0.757SS**  trans54.7138.414650.70000120.5
583Q24Very low24.5Very low158 Ų158135.7 Ų135.774%0.73875%0.75SS**  cis-171.5143.3-3.6-125.1164.6-32.600109.6
584T24.2Very low24.7Very low113 Ų113137.6 Ų137.669%0.69375%0.752SS**  trans56.1145.3150.252.90000120.3
585N24.9Very low24.8Very low131 Ų131138.3 Ų138.370%0.70175%0.746SS**  cis-160.1165.39.5-122.8-5.8000113.6
586N26.1Very low25.2Very low130 Ų130135.8 Ų135.870%0.69573%0.734SS**  trans73.8105151.1-64.1-1.4000122.8
587S24.5Very low25.6Very low109 Ų109136.2 Ų136.276%0.76273%0.726SS**  83.2134126.6600000123
588S24.8Very low25.9Very low105 Ų105138.1 Ų138.173%0.73473%0.726SS**  trans56.192157.659.40000120
589L28.4Very low26.4Very low168 Ų168134.5 Ų134.588%0.8871%0.708SS**  -154.5150.7106.2-135.971.9000111.2
590V25.9Very low27Very low127 Ų127132 Ų13277%0.7770%0.701SS**  trans-143.3133.6-177.7164.80000109.2
591K25.8Very low27.3Very low179 Ų179129.1 Ų129.178%0.77869%0.69SS**SBendtrans85.2152.6-174-60.4159.5-178.7178.30115.8
592D27.4Very low27.8Very low138 Ų138128 Ų12874%0.73868%0.682SS**  trans117.8-15.3159.9-64.15.7000118.4
593T29.7Very low28.2Very low121 Ų121127.3 Ų127.374%0.74267%0.673SS**Hα-helixtrans-82.6-20.3-175.842.30000117
594N29Very low28.5Very low138 Ų138126.4 Ų126.474%0.73867%0.666SS**Hα-helixtrans-82.5-28.2-177-83.4-0.5000114.5
595E30.4Very low28.6Very low126 Ų126128.7 Ų128.759%0.58966%0.663SS**Hα-helixtrans-75.3-33.6-172.7-154.4-172.1133.300112.3K599E595-K599 WeakPolarHBondContact O-CG 3.3Å; E595-K599 PolarHBondContact O-N 3.19Å; E595-K599 WeakPolarHBondContact OE1-CE 3.44Å; E595-K599 IonicContact OE1-NZ 2.94Å; E595-K599 PolarHBondContact OE1-NZ 2.85Å
596Q32Very low28.9Very low147 Ų147124.9 Ų124.969%0.68765%0.647SS**Hα-helixtrans-73.9-29.9-178.4-156.5166.29.600112.5T600Q596-T600 PolarHBondContact O-N 2.76Å; Q596-T600 VanDerWaalsContact O-N 3.15Å; Q596-T600 PolarHBondContact O-OG1 3.5Å
597Y28.5Very low29.1Very low163 Ų163123.4 Ų123.464%0.63964%0.639SS**Hα-helixtrans-67.9-46.3175.6-157.8-96.4000111.7T600 H601Y597-T600 PolarHBondContact O-N 3.21Å; Y597-H601 AromaticContact CE1-CD2 3.77Å; Y597-H601 AromaticContact CZ-NE2 3.9Å; Y597-H601 PolarHBondContact O-N 3.38Å
598M27.8Very low29.4Very low145 Ų145124 Ų12471%0.71463%0.63SS**Hα-helixtrans-64.1-40.7176.8-74.5-63.9-165.700112.8T600 S602M598-T600 PolarHBondContact O-N 3.42Å; M598-S602 WeakPolarHBondContact O-CB 3.45Å; M598-S602 PolarHBondContact O-N 3.06Å; M598-S602 PolarHBondContact O-OG 3.29Å
599K33.4Very low29.7Very low117 Ų117124.7 Ų124.751%0.50963%0.625SS.*Hα-helixtrans-64-37.8176.6-79.9171.8169.6170.90113E595 S602 I603E595-K599 WeakPolarHBondContact O-CG 3.3Å; E595-K599 PolarHBondContact O-N 3.19Å; E595-K599 WeakPolarHBondContact OE1-CE 3.44Å; E595-K599 IonicContact OE1-NZ 2.94Å; E595-K599 PolarHBondContact OE1-NZ 2.85Å; K599-S602 PolarHBondContact O-OG 2.95Å; K599-I603 WeakPolarHBondContact O-CD1 3.14Å; K599-I603 WeakPolarHBondContact O-CG1 3.38Å
600T33.1Very low29.8Very low93 Ų93121.2 Ų121.257%0.57161%0.606SS**Hα-helixtrans-73.8-35.6-177.2-51.20000112.3Q596 Y597 M598Q596-T600 PolarHBondContact O-N 2.76Å; Q596-T600 VanDerWaalsContact O-N 3.15Å; Q596-T600 PolarHBondContact O-OG1 3.5Å; Y597-T600 PolarHBondContact O-N 3.21Å; M598-T600 PolarHBondContact O-N 3.42Å
601H29.4Very low30Very low92 Ų92118.4 Ų118.443%0.42659%0.592SS.*Hα-helixtrans-80.1-35.5179.1-86.8-68.9000114.5Y597 K604 Y605Y597-H601 AromaticContact CE1-CD2 3.77Å; Y597-H601 AromaticContact CZ-NE2 3.9Å; Y597-H601 PolarHBondContact O-N 3.38Å; H601-K604 PolarHBondContact O-N 3.5Å; H601-Y605 PolarHBondContact O-N 3.35Å
602S31.7Very low30.2Very low71 Ų71114.1 Ų114.150%0.49759%0.585SS.*Hα-helixtrans-65.5-38179.547.60000113.3M598 K599 S606M598-S602 WeakPolarHBondContact O-CB 3.45Å; M598-S602 PolarHBondContact O-N 3.06Å; M598-S602 PolarHBondContact O-OG 3.29Å; K599-S602 PolarHBondContact O-OG 2.95Å; S602-S606 PolarHBondContact O-N 3.09Å; S602-S606 PolarHBondContact O-OG 3.31Å
603I32.1Very low30.3Very low102 Ų102111.9 Ų111.952%0.52358%0.579SS.*Hα-helixtrans-69.4-34.1176-64.2172000111.5K599 S606 N607K599-I603 WeakPolarHBondContact O-CD1 3.14Å; K599-I603 WeakPolarHBondContact O-CG1 3.38Å; I603-S606 WeakPolarHBondContact CA-OG 3.29Å; I603-S606 PolarHBondContact O-OG 2.9Å; I603-S606 VanDerWaalsContact O-OG 3.13Å; I603-N607 PolarHBondContact O-N 2.92Å; I603-N607 VanDerWaalsContact O-N 3.17Å
604K29.8Very low30.4Very low139 Ų139111.7 Ų111.760%0.60457%0.572SS**Hα-helixtrans-70.7-40.7-177.1-158169.5-174.2177.10112.5H601 Q608H601-K604 PolarHBondContact O-N 3.5Å; K604-Q608 WeakPolarHBondContact O-CG 3.23Å; K604-Q608 PolarHBondContact O-N 3.19Å
605Y27Very low30.4Very low161 Ų161111.6 Ų111.663%0.63157%0.572SS**Hα-helixtrans-68.5-39.7176.1-94.2-79.6000113.4H601 Q608 L609H601-Y605 PolarHBondContact O-N 3.35Å; Y605-Q608 PolarHBondContact O-N 3.44Å; Y605-L609 PolarHBondContact O-N 3.39Å; Y605-L609 VanDerWaalsContact O-N 3.12Å
606S31.2Very low30.3Very low52 Ų52110 Ų11036%0.36457%0.574SS.*Hα-helixtrans-66.8-41.817940.10000112.1S602 I603 Q608 L609 I610S602-S606 PolarHBondContact O-N 3.09Å; S602-S606 PolarHBondContact O-OG 3.31Å; I603-S606 WeakPolarHBondContact CA-OG 3.29Å; I603-S606 PolarHBondContact O-OG 2.9Å; I603-S606 VanDerWaalsContact O-OG 3.13Å; S606-Q608 PolarHBondContact O-N 3.49Å; S606-L609 PolarHBondContact O-N 2.95Å; S606-I610 WeakPolarHBondContact O-CG1 3.16Å; S606-I610 PolarHBondContact O-N 3.48Å
607N29.4Very low30.1Very low98 Ų98111.8 Ų111.852%0.52458%0.583SS.*Hα-helixtrans-67-33.1175.6-74.9-8.5000113.4I603 S611I603-N607 PolarHBondContact O-N 2.92Å; I603-N607 VanDerWaalsContact O-N 3.17Å; N607-S611 WeakPolarHBondContact O-CB 3.22Å; N607-S611 PolarHBondContact O-N 2.98Å
608Q31.5Very low29.9Very low123 Ų123112.8 Ų112.858%0.57559%0.59SS**Hα-helixtrans-68.8-39.5174.5-74.2-174.8-78.400112.3K604 Y605 S606 S612K604-Q608 WeakPolarHBondContact O-CG 3.23Å; K604-Q608 PolarHBondContact O-N 3.19Å; Y605-Q608 PolarHBondContact O-N 3.44Å; S606-Q608 PolarHBondContact O-N 3.49Å; Q608-S612 WeakPolarHBondContact O-CB 3.43Å; Q608-S612 PolarHBondContact O-N 3.29Å
609L30.3Very low29.8Very low118 Ų118113.9 Ų113.962%0.61860%0.598SS**Hα-helixtrans-64.6-44173.7-88.3163000112.3Y605 S606 S612 C613Y605-L609 PolarHBondContact O-N 3.39Å; Y605-L609 VanDerWaalsContact O-N 3.12Å; S606-L609 PolarHBondContact O-N 2.95Å; L609-S612 PolarHBondContact O-N 2.88Å; L609-C613 PolarHBondContact O-N 3.19Å; L609-C613 VanDerWaalsContact O-N 3.15Å; L609-C613 PolarHBondContact O-SG 3.41Å; L609-C613 VanDerWaalsContact O-SG 3.35Å
610I30.9Very low29.4Very low96 Ų96116.2 Ų116.249%0.49262%0.615SS.*Hα-helixtrans-63.1-46.4178.3-68.6165.5000110.8S606 S612 C613 I614S606-I610 WeakPolarHBondContact O-CG1 3.16Å; S606-I610 PolarHBondContact O-N 3.48Å; I610-S612 VanDerWaalsContact C-N 3.28Å; I610-S612 PolarHBondContact O-N 2.82Å; I610-C613 PolarHBondContact O-N 3.45Å; I610-C613 VanDerWaalsContact O-N 3.09Å; I610-I614 HydrophobicContact CG2-CD1 3.79Å; I610-I614 WeakPolarHBondContact O-CG1 3.18Å; I610-I614 PolarHBondContact O-N 2.9Å
611S30.8Very low29.1Very low68 Ų68116.7 Ų116.748%0.47662%0.622SS.*Hα-helixtrans-62.1-35.1176.8-164.20000112.6N607 C613 I614N607-S611 WeakPolarHBondContact O-CB 3.22Å; N607-S611 PolarHBondContact O-N 2.98Å; S611-C613 VanDerWaalsContact C-N 3.3Å; S611-C613 PolarHBondContact O-N 3.31Å; S611-I614 PolarHBondContact O-N 3.04Å
612S29.9Very low28.9Very low89 Ų89118.2 Ų118.262%0.62264%0.64SS**Hα-helixtrans-71.1-19.8175.3-166.80000114Q608 L609 I610Q608-S612 WeakPolarHBondContact O-CB 3.43Å; Q608-S612 PolarHBondContact O-N 3.29Å; L609-S612 PolarHBondContact O-N 2.88Å; I610-S612 VanDerWaalsContact C-N 3.28Å; I610-S612 PolarHBondContact O-N 2.82Å
613C29.3Very low28.7Very low91 Ų91123.6 Ų123.662%0.61566%0.658SS**Hα-helixtrans-90.5-19.3177.3-67.70000113.7L609 I610 S611 S616L609-C613 PolarHBondContact O-N 3.19Å; L609-C613 VanDerWaalsContact O-N 3.15Å; L609-C613 PolarHBondContact O-SG 3.41Å; L609-C613 VanDerWaalsContact O-SG 3.35Å; I610-C613 PolarHBondContact O-N 3.45Å; I610-C613 VanDerWaalsContact O-N 3.09Å; S611-C613 VanDerWaalsContact C-N 3.3Å; S611-C613 PolarHBondContact O-N 3.31Å; C613-S616 PolarHBondContact O-OG 3.27Å
614I31.2Very low28.6Very low116 Ų116123.9 Ų123.960%0.59567%0.666SS**Hα-helixtrans-86.1-21.8-177.8-69.1169000111.9I610 S611I610-I614 HydrophobicContact CG2-CD1 3.79Å; I610-I614 WeakPolarHBondContact O-CG1 3.18Å; I610-I614 PolarHBondContact O-N 2.9Å; S611-I614 PolarHBondContact O-N 3.04Å
615N29.4Very low28.3Very low137 Ų137124.5 Ų124.573%0.73368%0.676SS**THydrogen-bonded Turntrans-89.34.4-176.9-75.6-12.6000115.4
616S27.7Very low28.2Very low93 Ų93122.8 Ų122.865%0.6569%0.688SS**THydrogen-bonded Turntrans-102.115.5-178.361.50000114.9C613C613-S616 PolarHBondContact O-OG 3.27Å
617E27.2Very low28Very low184 Ų184128.6 Ų128.686%0.8671%0.713SS**  trans-100.633.8-173.8-151168.2-124.300113.3
618K25.1Very low27.8Very low184 Ų184132.7 Ų132.780%0.873%0.731SS**  trans-137.3143.7172.2-73.3-176.4178.7175.50110.4
619L25.1Very low27.5Very low167 Ų167132 Ų13287%0.87474%0.735SS**  trans64.8125.7-161.8-57106000111.7
620L25.8Very low27.2Very low166 Ų166132.9 Ų132.987%0.86974%0.741SS**  cis-124164.815.5-77.1158.9000113.5
621S25.5Very low26.9Very low103 Ų103134.8 Ų134.872%0.7275%0.751SS**  trans-81.8151.8-175.151.70000114.4
622P27.1Very low26.6Very low124 Ų124137.4 Ų137.481%0.80577%0.766SS**  trans-77.1147.4171.433-34.9000112.6
623Q26Very low26.4Very low184 Ų184140.3 Ų140.386%0.8677%0.77SS**  trans-122.6147150.6-84.8-166.2-34.600109.1
624P29.5Very low26.2Very low108 Ų108141.6 Ų141.670%0.70178%0.775SS**  trans-81.3-170.8173.536.9-36.7000111.7
625D24Very low26Very low153 Ų153145.1 Ų145.182%0.81879%0.786SS**  trans75.268.8164.3-54.5-19.4000118.1
626S25.6Very low25.9Very low125 Ų125144.8 Ų144.887%0.87478%0.783SS**  -153.2146.8127.649.70000112
627I26.9Very low26.3Very low173 Ų173144.4 Ų144.489%0.88778%0.781SS**  trans-95.1115.6-179.7-61.6167.6000108.7
628M24.2Very low26.5Very low185 Ų185142.3 Ų142.391%0.91177%0.771SS**  trans-150.6152155-137.8169.1-178.200111.9
629T26Very low26.8Very low107 Ų107143.5 Ų143.566%0.65677%0.77SS**  trans-84.6171.2-177.250.50000112.4
630D23.9Very low27.3Very low137 Ų137137.8 Ų137.873%0.73374%0.74SS**  trans72.791.7160.9-47.9-53.3000117.9
631L23.7Very low27.7Very low136 Ų136134.1 Ų134.171%0.71272%0.718SS**  -173.2137.1109.9-119.574000112.6H633L631-H633 PolarHBondContact O-N 2.78Å
632P26.5Very low28.2Very low123 Ų123135 Ų13580%0.79971%0.71SS**  trans-95.776.9177.236.8-33.9000113.2
633H25Very low28.6Very low150 Ų150133 Ų13369%0.69469%0.689SS**  trans-116.4119166.9-77.4-52.3000111.2L631L631-H633 PolarHBondContact O-N 2.78Å
634V25.7Very low29.1Very low118 Ų118125.9 Ų125.972%0.71566%0.659SS**SBendtrans167.4-43.4149.7146.70000110.5I636V634-I636 VanDerWaalsContact C-N 3.27Å; V634-I636 PolarHBondContact O-N 3.34Å
635F25.4Very low29.5Very low190 Ų190122.9 Ų122.983%0.83364%0.638SS**THydrogen-bonded Turntrans-77.223.3-162.4-98.9-72.2000118.2
636I28.9Very low30.2Very low130 Ų130118.3 Ų118.367%0.66762%0.617SS**THydrogen-bonded Turntrans-105.2-26.5-174.9-64.7179.2000113.5V634 L640V634-I636 VanDerWaalsContact C-N 3.27Å; V634-I636 PolarHBondContact O-N 3.34Å; I636-L640 VanDerWaalsContact O-CB 3.31Å; I636-L640 WeakPolarHBondContact O-CB 3.39Å
637S36Very low30.8Very low86 Ų86113.3 Ų113.360%0.60158%0.581SS**Hα-helixtrans-70.6-51-171.351.60000114.4L640 F641S637-L640 PolarHBondContact O-N 2.7Å; S637-F641 PolarHBondContact O-N 3.45Å
638E30.2Very low31.4Very low140 Ų140106.4 Ų106.465%0.65455%0.549SS*.Hα-helixtrans-68.1-53.2-165.4-169.4167.6-126.200113.1L640 F641 E642E638-L640 PolarHBondContact O-N 3.4Å; E638-L640 VanDerWaalsContact O-N 3.17Å; E638-F641 WeakPolarHBondContact O-CB 3.35Å; E638-F641 PolarHBondContact O-N 2.82Å; E638-E642 PolarHBondContact O-N 3.47Å
639R31.9Very low32.1Very low208 Ų208100.5 Ų100.579%0.78552%0.524SS*.Hα-helixtrans-60.1-27.1174.2-82.6-175.8168.8180-2.5113.4F643R639-F643 WeakPolarHBondContact O-CB 3.36Å; R639-F643 PolarHBondContact O-N 3.27Å
640L34.7Very low32.7Very low48 Ų48100.3 Ų100.325%0.25152%0.515SS..Hα-helixtrans-78.6-33.7177.1-155.7130.2000111F319 K322 I636 S637 E638 S644F319-L640 HydrophobicContact CE2-CD2 4.34Å; K322-L640 HydrophobicContact CB-CD1 4.47Å; I636-L640 VanDerWaalsContact O-CB 3.31Å; I636-L640 WeakPolarHBondContact O-CB 3.39Å; S637-L640 PolarHBondContact O-N 2.7Å; E638-L640 PolarHBondContact O-N 3.4Å; E638-L640 VanDerWaalsContact O-N 3.17Å; L640-S644 VanDerWaalsContact O-CB 3.29Å; L640-S644 WeakPolarHBondContact O-CB 3.45Å; L640-S644 PolarHBondContact O-N 2.93Å; L640-S644 PolarHBondContact O-OG 3.44Å
641F34.7Very low33.4Very low89 Ų8995.9 Ų95.939%0.3949%0.494SS..Hα-helixtrans-67-47.7171.7-178.5-98.7000112.4N466 S637 E638 F643 S644 N645N466-F641 WeakPolarHBondContact ND2-CE2 3.26Å; S637-F641 PolarHBondContact O-N 3.45Å; E638-F641 WeakPolarHBondContact O-CB 3.35Å; E638-F641 PolarHBondContact O-N 2.82Å; F641-F643 PolarHBondContact O-N 3.49Å; F641-S644 PolarHBondContact O-N 3.04Å; F641-N645 VanDerWaalsContact CE1-ND2 3.26Å; F641-N645 WeakPolarHBondContact CE1-ND2 3.22Å; F641-N645 PolarHBondContact O-N 3.22Å; F641-N645 PolarHBondContact O-ND2 3.33Å
642E36Very low34.1Very low122 Ų12292.4 Ų92.457%0.5748%0.476SS*.Hα-helixtrans-58-47.4174.6-68.5-174.6127.700111.9E638 N645 S646E638-E642 PolarHBondContact O-N 3.47Å; E642-N645 PolarHBondContact O-N 2.88Å; E642-S646 WeakPolarHBondContact O-CB 3.22Å; E642-S646 PolarHBondContact O-N 3.07Å
643F36Very low34.7Very low82 Ų8291.8 Ų91.836%0.3647%0.465SS..Hα-helixtrans-67.4-38.7-179.5-171.1-110.6000112.5F319 R639 F641 S646 I647F319-F643 HydrophobicContact CB-CE1 4.07Å; F319-F643 AromaticContact CD2-CD1 3.84Å; F319-F643 HydrophobicContact CD2-CD1 3.84Å; F319-F643 HydrophobicContact CD2-CE1 4.04Å; F319-F643 HydrophobicContact CG-CE1 4.45Å; R639-F643 WeakPolarHBondContact O-CB 3.36Å; R639-F643 PolarHBondContact O-N 3.27Å; F641-F643 PolarHBondContact O-N 3.49Å; F643-S646 WeakPolarHBondContact O-CB 3.39Å; F643-S646 PolarHBondContact O-N 3.12Å; F643-I647 HydrophobicContact CD1-CD1 4.05Å; F643-I647 HydrophobicContact CE1-CD1 3.53Å; F643-I647 HydrophobicContact CE2-CD1 4.34Å; F643-I647 HydrophobicContact CZ-CD1 3.7Å; F643-I647 PolarHBondContact O-N 2.87Å
644S36.3Very low35.3Very low33 Ų3387 Ų8723%0.23145%0.448CS..Hα-helixtrans-61.1-45.2173.4-59.10000111.6F319 L640 F641 A648F319-S644 WeakPolarHBondContact CE2-OG 3.25Å; F319-S644 VanDerWaalsContact CZ-OG 3.22Å; F319-S644 WeakPolarHBondContact CZ-OG 3.29Å; L640-S644 VanDerWaalsContact O-CB 3.29Å; L640-S644 WeakPolarHBondContact O-CB 3.45Å; L640-S644 PolarHBondContact O-N 2.93Å; L640-S644 PolarHBondContact O-OG 3.44Å; F641-S644 PolarHBondContact O-N 3.04Å; S644-A648 WeakPolarHBondContact O-CB 3.41Å; S644-A648 PolarHBondContact O-N 2.68Å
645N37.6Very low35.8Very low46 Ų4683.5 Ų83.525%0.24643%0.432CS..Hα-helixtrans-63.9-41176-72.8-33.2000111.4N466 F641 E642 A648 V649N466-N645 PolarHBondContact ND2-OD1 2.83Å; F641-N645 VanDerWaalsContact CE1-ND2 3.26Å; F641-N645 WeakPolarHBondContact CE1-ND2 3.22Å; F641-N645 PolarHBondContact O-N 3.22Å; F641-N645 PolarHBondContact O-ND2 3.33Å; E642-N645 PolarHBondContact O-N 2.88Å; N645-A648 PolarHBondContact O-N 3.31Å; N645-V649 VanDerWaalsContact O-CB 3.27Å; N645-V649 WeakPolarHBondContact O-CB 3.28Å; N645-V649 WeakPolarHBondContact O-CG2 3.3Å; N645-V649 PolarHBondContact O-N 3.35Å
646S39Very low36.3Very low56 Ų5677.7 Ų77.739%0.39241%0.407SS..Hα-helixtrans-59.1-48.9177.3-167.80000112.2E642 F643 V649 Q650E642-S646 WeakPolarHBondContact O-CB 3.22Å; E642-S646 PolarHBondContact O-N 3.07Å; F643-S646 WeakPolarHBondContact O-CB 3.39Å; F643-S646 PolarHBondContact O-N 3.12Å; S646-V649 PolarHBondContact O-N 3.06Å; S646-Q650 WeakPolarHBondContact O-CB 3.49Å; S646-Q650 WeakPolarHBondContact O-CG 3.18Å; S646-Q650 PolarHBondContact O-N 2.95Å
647I39.1Very low36.6Very low20 Ų2073 Ų7310%0.10339%0.39CS..Hα-helixtrans-66.7-44.3178.2-68.4177.2000111.3M316 F319 F643 V649 Q650 C651M316-I647 HydrophobicContact CG-CG2 4.21Å; F319-I647 HydrophobicContact CB-CD1 3.86Å; F319-I647 HydrophobicContact CG-CD1 4.21Å; F643-I647 HydrophobicContact CD1-CD1 4.05Å; F643-I647 HydrophobicContact CE1-CD1 3.53Å; F643-I647 HydrophobicContact CE2-CD1 4.34Å; F643-I647 HydrophobicContact CZ-CD1 3.7Å; F643-I647 PolarHBondContact O-N 2.87Å; I647-V649 VanDerWaalsContact C-N 3.32Å; I647-V649 PolarHBondContact O-N 3.37Å; I647-Q650 PolarHBondContact O-N 3.27Å; I647-C651 PolarHBondContact O-N 2.71Å; I647-C651 PolarHBondContact O-SG 3.09Å
648A39.2Very low36.6Very low28 Ų2871.4 Ų71.423%0.23137%0.373CS..Hα-helixtrans-59.5-43.2177.500000111.9L470 S644 N645 L652L470-A648 HydrophobicContact CD1-CB 3.91Å; S644-A648 WeakPolarHBondContact O-CB 3.41Å; S644-A648 PolarHBondContact O-N 2.68Å; N645-A648 PolarHBondContact O-N 3.31Å; A648-L652 WeakPolarHBondContact O-CB 3.25Å; A648-L652 PolarHBondContact O-N 3.15Å; A648-L652 VanDerWaalsContact O-N 3.11Å
649V38.9Very low36.8Very low62 Ų6268.1 Ų68.138%0.37636%0.359SS..Hα-helixtrans-63.1-44.4174.3167.60000111.2L470 N645 S646 I647 L652 I653L470-V649 HydrophobicContact CD2-CG2 4.12Å; N645-V649 VanDerWaalsContact O-CB 3.27Å; N645-V649 WeakPolarHBondContact O-CB 3.28Å; N645-V649 WeakPolarHBondContact O-CG2 3.3Å; N645-V649 PolarHBondContact O-N 3.35Å; S646-V649 PolarHBondContact O-N 3.06Å; I647-V649 VanDerWaalsContact C-N 3.32Å; I647-V649 PolarHBondContact O-N 3.37Å; V649-L652 PolarHBondContact O-N 3.06Å; V649-I653 HydrophobicContact CG1-CD1 3.55Å; V649-I653 HydrophobicContact CG1-CG1 4.24Å; V649-I653 WeakPolarHBondContact O-CB 3.13Å; V649-I653 VanDerWaalsContact O-CG1 3.25Å; V649-I653 WeakPolarHBondContact O-CG1 3.36Å; V649-I653 PolarHBondContact O-N 3.41Å
650Q38.1Very low36.9Very low102 Ų10264.6 Ų64.648%0.47735%0.347SS..Hα-helixtrans-66.2-40.8178.9-75.9-179.1-100113.4S646 I647 L652 I653 S654S646-Q650 WeakPolarHBondContact O-CB 3.49Å; S646-Q650 WeakPolarHBondContact O-CG 3.18Å; S646-Q650 PolarHBondContact O-N 2.95Å; I647-Q650 PolarHBondContact O-N 3.27Å; Q650-L652 VanDerWaalsContact C-N 3.34Å; Q650-L652 PolarHBondContact O-N 3.48Å; Q650-I653 PolarHBondContact O-N 2.96Å; Q650-S654 WeakPolarHBondContact O-CB 3.2Å; Q650-S654 PolarHBondContact O-N 2.8Å; Q650-S654 PolarHBondContact O-OG 3.07Å
651C38Very low37Very low44 Ų4465.5 Ų65.530%0.29735%0.352SS..Hα-helixtrans-63.3-40.3175.3-71.70000111.6I647 S654 A655I647-C651 PolarHBondContact O-N 2.71Å; I647-C651 PolarHBondContact O-SG 3.09Å; C651-S654 PolarHBondContact O-N 2.73Å; C651-A655 PolarHBondContact O-N 3.43Å
652L38.9Very low37Very low63 Ų6363.1 Ų63.133%0.3334%0.341SS..Hα-helixtrans-75.2-37177.3-82.5150.1000112.9L470 A648 V649 Q650 S654 A655 F656L470-L652 HydrophobicContact CB-CD1 4.02Å; L470-L652 HydrophobicContact CD1-CD1 3.78Å; L470-L652 HydrophobicContact CD2-CB 4.36Å; L470-L652 HydrophobicContact CD2-CD1 3.91Å; L470-L652 HydrophobicContact CG-CD1 4.11Å; A648-L652 WeakPolarHBondContact O-CB 3.25Å; A648-L652 PolarHBondContact O-N 3.15Å; A648-L652 VanDerWaalsContact O-N 3.11Å; V649-L652 PolarHBondContact O-N 3.06Å; Q650-L652 VanDerWaalsContact C-N 3.34Å; Q650-L652 PolarHBondContact O-N 3.48Å; L652-S654 VanDerWaalsContact C-N 3.27Å; L652-S654 PolarHBondContact O-N 3.13Å; L652-A655 PolarHBondContact O-N 3.15Å; L652-F656 HydrophobicContact CB-CD2 4.45Å; L652-F656 HydrophobicContact CB-CE2 4.22Å; L652-F656 HydrophobicContact CD2-CE2 3.75Å; L652-F656 HydrophobicContact CD2-CZ 4.22Å; L652-F656 WeakPolarHBondContact O-CD2 3.29Å; L652-F656 PolarHBondContact O-N 3.05Å
653I38.6Very low36.7Very low110 Ų11065.1 Ų65.156%0.56434%0.344SS*.Hα-helixtrans-58.3-41.5169.2-74.5170.7000110.5V649 Q650 F656 G657V649-I653 HydrophobicContact CG1-CD1 3.55Å; V649-I653 HydrophobicContact CG1-CG1 4.24Å; V649-I653 WeakPolarHBondContact O-CB 3.13Å; V649-I653 VanDerWaalsContact O-CG1 3.25Å; V649-I653 WeakPolarHBondContact O-CG1 3.36Å; V649-I653 PolarHBondContact O-N 3.41Å; Q650-I653 PolarHBondContact O-N 2.96Å; I653-F656 PolarHBondContact O-N 3.22Å; I653-G657 PolarHBondContact O-N 3.08Å
654S37.7Very low36.5Very low49 Ų4965.8 Ų65.834%0.34335%0.349SS..Hα-helixtrans-63.4-46.3176.7-56.80000111.6Q650 C651 L652 G657 E658Q650-S654 WeakPolarHBondContact O-CB 3.2Å; Q650-S654 PolarHBondContact O-N 2.8Å; Q650-S654 PolarHBondContact O-OG 3.07Å; C651-S654 PolarHBondContact O-N 2.73Å; L652-S654 VanDerWaalsContact C-N 3.27Å; L652-S654 PolarHBondContact O-N 3.13Å; S654-G657 PolarHBondContact O-N 3.07Å; S654-E658 PolarHBondContact O-N 3.26Å
655A36.6Very low36.4Very low45 Ų4567 Ų6737%0.37236%0.358SS..Hα-helixtrans-62.6-41.9176.700000113C651 L652 I659C651-A655 PolarHBondContact O-N 3.43Å; L652-A655 PolarHBondContact O-N 3.15Å; A655-I659 WeakPolarHBondContact O-CD1 3.48Å; A655-I659 VanDerWaalsContact O-CG1 3.3Å; A655-I659 WeakPolarHBondContact O-CG1 3.49Å; A655-I659 PolarHBondContact O-N 3.42Å; A655-I659 VanDerWaalsContact O-N 3.15Å
656F36Very low35.9Very low68 Ų6873.2 Ų73.230%0.29838%0.379SS..Hα-helixtrans-72-31175.4-69.2-57.9000112.8S474 L652 I653 I659 Y660S474-F656 WeakPolarHBondContact OG-CZ 3.35Å; L652-F656 HydrophobicContact CB-CD2 4.45Å; L652-F656 HydrophobicContact CB-CE2 4.22Å; L652-F656 HydrophobicContact CD2-CE2 3.75Å; L652-F656 HydrophobicContact CD2-CZ 4.22Å; L652-F656 WeakPolarHBondContact O-CD2 3.29Å; L652-F656 PolarHBondContact O-N 3.05Å; I653-F656 PolarHBondContact O-N 3.22Å; F656-I659 HydrophobicContact CD1-CD1 4.2Å; F656-I659 HydrophobicContact CE1-CD1 4.42Å; F656-I659 PolarHBondContact O-N 3.05Å; F656-Y660 VanDerWaalsContact O-CB 3.27Å; F656-Y660 WeakPolarHBondContact O-CB 3.48Å; F656-Y660 PolarHBondContact O-N 2.69Å
657G35.5Very low35.5Very low31 Ų3177.8 Ų77.832%0.3239%0.394SS..Hα-helixtrans-60.8-45.617200000112.3I653 S654 Y660 I661I653-G657 PolarHBondContact O-N 3.08Å; S654-G657 PolarHBondContact O-N 3.07Å; G657-Y660 PolarHBondContact O-N 2.72Å; G657-I661 VanDerWaalsContact O-CG1 3.28Å; G657-I661 WeakPolarHBondContact O-CG1 3.22Å; G657-I661 PolarHBondContact O-N 3.13Å
658E35.1Very low35.1Very low53 Ų5382.8 Ų82.825%0.24842%0.42CS..Hα-helixtrans-62.8-46.6172.9-75.9-164.2173.800112.2S654 Y660 I661 Q662S654-E658 PolarHBondContact O-N 3.26Å; E658-Y660 VanDerWaalsContact C-N 3.27Å; E658-Y660 PolarHBondContact O-N 3.41Å; E658-I661 PolarHBondContact O-N 3.29Å; E658-Q662 WeakPolarHBondContact O-CB 3.4Å; E658-Q662 VanDerWaalsContact O-CD 3.28Å; E658-Q662 WeakPolarHBondContact O-CG 3.17Å; E658-Q662 PolarHBondContact O-N 2.81Å
659I34.4Very low34.7Very low71 Ų7188 Ų8836%0.36444%0.444SS..Hα-helixtrans-60.9-37.1178.8-68.3164.9000111.6A655 F656 R663A655-I659 WeakPolarHBondContact O-CD1 3.48Å; A655-I659 VanDerWaalsContact O-CG1 3.3Å; A655-I659 WeakPolarHBondContact O-CG1 3.49Å; A655-I659 PolarHBondContact O-N 3.42Å; A655-I659 VanDerWaalsContact O-N 3.15Å; F656-I659 HydrophobicContact CD1-CD1 4.2Å; F656-I659 HydrophobicContact CE1-CD1 4.42Å; F656-I659 PolarHBondContact O-N 3.05Å; I659-R663 PolarHBondContact O-N 2.67Å; I659-R663 VanDerWaalsContact O-N 3.09Å
660Y34.1Very low34.1Very low135 Ų13592.6 Ų92.653%0.52946%0.462SS..Hα-helixtrans-67.2-47175.4-178.8-93.4000111.8I481 F656 G657 E658 Q662 R663 M664I481-Y660 HydrophobicContact CG2-CE2 4.26Å; F656-Y660 VanDerWaalsContact O-CB 3.27Å; F656-Y660 WeakPolarHBondContact O-CB 3.48Å; F656-Y660 PolarHBondContact O-N 2.69Å; G657-Y660 PolarHBondContact O-N 2.72Å; E658-Y660 VanDerWaalsContact C-N 3.27Å; E658-Y660 PolarHBondContact O-N 3.41Å; Y660-Q662 PolarHBondContact O-N 3.26Å; Y660-R663 PolarHBondContact O-N 3.31Å; Y660-M664 HydrophobicContact CE1-CG 4.46Å; Y660-M664 PolarHBondContact O-N 3.01Å; Y660-M664 VanDerWaalsContact O-N 3.08Å
661I37.9Very low33.5Very low67 Ų6792.9 Ų92.934%0.34448%0.475SS..Hα-helixtrans-60.7-45.2175.4-70165.2000110.6G657 E658 R663 M664 S665G657-I661 VanDerWaalsContact O-CG1 3.28Å; G657-I661 WeakPolarHBondContact O-CG1 3.22Å; G657-I661 PolarHBondContact O-N 3.13Å; E658-I661 PolarHBondContact O-N 3.29Å; I661-R663 VanDerWaalsContact C-N 3.32Å; I661-R663 PolarHBondContact O-N 3.19Å; I661-M664 PolarHBondContact O-N 2.65Å; I661-S665 PolarHBondContact O-N 3.3Å; I661-S665 PolarHBondContact O-OG 3.21Å
662Q33.6Very low33Very low38 Ų3896.3 Ų96.318%0.17850%0.497CS..Hα-helixtrans-60.3-39.5178.8-71.515910.800111.9L270 E658 Y660 S665 Y666L270-Q662 HydrophobicContact CB-CG 4.43Å; L270-Q662 HydrophobicContact CD1-CB 4.2Å; L270-Q662 HydrophobicContact CD1-CG 4.37Å; L270-Q662 HydrophobicContact CD2-CG 4.4Å; E658-Q662 WeakPolarHBondContact O-CB 3.4Å; E658-Q662 VanDerWaalsContact O-CD 3.28Å; E658-Q662 WeakPolarHBondContact O-CG 3.17Å; E658-Q662 PolarHBondContact O-N 2.81Å; Y660-Q662 PolarHBondContact O-N 3.26Å; Q662-S665 PolarHBondContact O-N 3.49Å; Q662-Y666 WeakPolarHBondContact O-CB 3.24Å; Q662-Y666 PolarHBondContact O-N 3.18Å
663R30.3Very low32.4Very low164 Ų16498.7 Ų98.762%0.61952%0.519SS*.Hα-helixtrans-66.5-41.8173.9-82-176.8165.6177.4-3.2113I659 Y660 I661 Y666 H667I659-R663 PolarHBondContact O-N 2.67Å; I659-R663 VanDerWaalsContact O-N 3.09Å; Y660-R663 PolarHBondContact O-N 3.31Å; I661-R663 VanDerWaalsContact C-N 3.32Å; I661-R663 PolarHBondContact O-N 3.19Å; R663-Y666 PolarHBondContact O-N 2.89Å; R663-H667 PolarHBondContact O-CD2 3.5Å; R663-H667 PolarHBondContact O-N 2.87Å; R663-H667 VanDerWaalsContact O-N 3.12Å
664M31.2Very low31.7Very low97 Ų97103.5 Ų103.548%0.47853%0.53SS..Hα-helixtrans-62.2-43.6173.6-80.2-62-6300112Y660 I661 Y666 H667 L668Y660-M664 HydrophobicContact CE1-CG 4.46Å; Y660-M664 PolarHBondContact O-N 3.01Å; Y660-M664 VanDerWaalsContact O-N 3.08Å; I661-M664 PolarHBondContact O-N 2.65Å; M664-Y666 VanDerWaalsContact C-N 3.29Å; M664-Y666 PolarHBondContact O-N 2.97Å; M664-H667 PolarHBondContact O-N 3.44Å; M664-L668 HydrophobicContact CE-CD1 4.26Å; M664-L668 WeakPolarHBondContact O-CG 3.08Å; M664-L668 PolarHBondContact O-N 3.43Å; M664-L668 VanDerWaalsContact O-N 3.07Å
665S34Very low31Very low59 Ų59107.7 Ų107.741%0.41355%0.548SS..Hα-helixtrans-64.4-30.2175.8-63.10000113.4I661 Q662 N669I661-S665 PolarHBondContact O-N 3.3Å; I661-S665 PolarHBondContact O-OG 3.21Å; Q662-S665 PolarHBondContact O-N 3.49Å; S665-N669 PolarHBondContact O-ND2 2.87Å
666Y28.6Very low30.4Very low175 Ų175111.8 Ų111.869%0.68657%0.569SS**Hα-helixtrans-74.1-35175.6-163.5-95.7000112.5Q662 R663 M664Q662-Y666 WeakPolarHBondContact O-CB 3.24Å; Q662-Y666 PolarHBondContact O-N 3.18Å; R663-Y666 PolarHBondContact O-N 2.89Å; M664-Y666 VanDerWaalsContact C-N 3.29Å; M664-Y666 PolarHBondContact O-N 2.97Å
667H29.6Very low29.8Very low152 Ų152114.5 Ų114.570%0.70459%0.591SS**Hα-helixtrans-76-29.7176.7-87.2-77.9000114.1R663 M664R663-H667 PolarHBondContact O-CD2 3.5Å; R663-H667 PolarHBondContact O-N 2.87Å; R663-H667 VanDerWaalsContact O-N 3.12Å; M664-H667 PolarHBondContact O-N 3.44Å
668L30.5Very low29.6Very low125 Ų125117.9 Ų117.965%0.65461%0.607SS**Hα-helixtrans-78.9-14.9-178.5-76166.1000114.8M664M664-L668 HydrophobicContact CE-CD1 4.26Å; M664-L668 WeakPolarHBondContact O-CG 3.08Å; M664-L668 PolarHBondContact O-N 3.43Å; M664-L668 VanDerWaalsContact O-N 3.07Å
669N30.3Very low29Very low137 Ų137122.3 Ų122.373%0.73363%0.633SS**THydrogen-bonded Turntrans-95.822.5-173.1-79.5-46.7000114.9S665S665-N669 PolarHBondContact O-ND2 2.87Å
670Q26.2Very low28.6Very low160 Ų160126.1 Ų126.175%0.74865%0.653SS**  trans-107.773.2175.6-66.7-163.319.200113.2
671S25.5Very low28.1Very low107 Ų107125.9 Ų125.975%0.74866%0.66SS**  trans-154128.2163.754.30000111.1
672P28Very low27.5Very low117 Ų117130.4 Ų130.476%0.7668%0.681SS**  trans-105.6155.5-168.738-34.9000116.5
673S27Very low27Very low113 Ų113132.6 Ų132.679%0.7970%0.701SS**  trans75.3159.7163.687.30000116.8
674R23.5Very low26.7Very low211 Ų211131.7 Ų131.780%0.79671%0.708SS**  cis-163.1140.54.9-145.4174.2179-179.40.5112.4
675N23.4Very low26.4Very low136 Ų136133.7 Ų133.773%0.72772%0.721SS**  trans60.3166.2162.9-53.6-12.5000117.4
676T24.1Very low26Very low131 Ų131138.5 Ų138.580%0.80474%0.742SS**  cis-149.2174.25-240000111.6
677T22.7Very low25.8Very low126 Ų126139.4 Ų139.477%0.77375%0.752SS**  trans-105.6-179.8179.529.40000113.3
678P31.5Very low25.6Very low102 Ų102138.3 Ų138.366%0.66275%0.752SS**  cis-137.8-169.3-17.929.5-4.9000116.1
679D23.6Very low25.5Very low146 Ų146137.8 Ų137.878%0.78176%0.756SS**  trans107.5148.1139-75.2-23.4000125.9
680L24.1Very low25.4Very low151 Ų151134.6 Ų134.679%0.79174%0.744SS**  trans77.282.1157.2-78159.7000123.5
681I24.7Very low25.4Very low130 Ų130136.4 Ų136.467%0.66775%0.75SS**  24.5126.5119-55.4165.5000119.4
682M24.8Very low25.6Very low162 Ų162139 Ų13980%0.79876%0.755SS**  -161.9161.7124.5-107.5-58.6-81.600112.2
683S23.7Very low25.6Very low83 Ų83138.2 Ų138.258%0.5874%0.744SS**  trans-117.2152.3-170.857.70000113.6
684N24.6Very low25.7Very low145 Ų145141.3 Ų141.378%0.77575%0.746SS**  -162.9162.3121.5-114.7-35.9000115
685N23Very low26Very low140 Ų140138.3 Ų138.375%0.74974%0.735SS**  trans-76.1147.8-175.6-53.3-61.9000113
686N26.7Very low26.4Very low159 Ų159137.1 Ų137.185%0.8573%0.729SS**  trans-150.3159.4135.7-99-38.7000109.9D688N686-D688 PolarHBondContact O-N 2.88Å
687Q24.8Very low26.9Very low194 Ų194135.3 Ų135.391%0.90771%0.711SS**  trans-71.4115.4-159.8-64.8161.9-22.200113.4
688D25.4Very low27.6Very low130 Ų130130 Ų13070%0.69568%0.68SS**  trans-102.9146.2171.6-112.4-32.5000111.2N686 S690N686-D688 PolarHBondContact O-N 2.88Å; D688-S690 PolarHBondContact O-N 3.28Å
689P28.4Very low27.7Very low114 Ų114129.3 Ų129.374%0.7467%0.67SS**  trans-77.421.5-176.532.8-35.5000114.2K691P689-K691 PolarHBondContact O-N 2.73Å
690S27Very low28.4Very low70 Ų70126.4 Ų126.449%0.4965%0.654SS.*THydrogen-bonded Turntrans-73.723.6-175.675.80000114.9D688D688-S690 PolarHBondContact O-N 3.28Å
691K26.9Very low29.4Very low197 Ų197120.8 Ų120.886%0.85762%0.622SS**THydrogen-bonded Turntrans-962.3170.9-84.5-165.1172.6-171.90113.9P689 N693P689-K691 PolarHBondContact O-N 2.73Å; K691-N693 PolarHBondContact O-N 2.85Å
692L30.3Very low30.6Very low163 Ų163114.7 Ų114.785%0.85359%0.591SS**SBendtrans-74.486.6155.5-145.581.4000107.8Q694L692-Q694 PolarHBondContact O-N 3.36Å
693N28Very low31.9Very low100 Ų100111.1 Ų111.154%0.53558%0.58SS.*  trans-48.1127.5178.4-77.5-14.4000110.1K691 Y695K691-N693 PolarHBondContact O-N 2.85Å; N693-Y695 HydrophobicContact CB-CD2 3.62Å; N693-Y695 HydrophobicContact CB-CE2 3.58Å; N693-Y695 HydrophobicContact CB-CG 4.41Å; N693-Y695 PolarHBondContact O-N 2.98Å
694Q29Very low33.8Very low178 Ų178107.1 Ų107.183%0.83255%0.552SS**  trans-69.971.8162.7-71.8-177.1-11.700108.7L692 N696L692-Q694 PolarHBondContact O-N 3.36Å; Q694-N696 PolarHBondContact O-N 3.17Å; Q694-N696 VanDerWaalsContact O-N 3.07Å
695Y28.3Very low36.5Very low147 Ų147100.4 Ų100.458%0.57652%0.516SS*.  trans-56117169.8-84.5-79.9000107.9N693 H697N693-Y695 HydrophobicContact CB-CD2 3.62Å; N693-Y695 HydrophobicContact CB-CE2 3.58Å; N693-Y695 HydrophobicContact CB-CG 4.41Å; N693-Y695 PolarHBondContact O-N 2.98Å; Y695-H697 WeakPolarHBondContact CB-NE2 3.39Å; Y695-H697 PolarHBondContact O-CD2 2.79Å; Y695-H697 PolarHBondContact O-N 3.44Å
696N33.1Very low39.3Very low111 Ų11193.8 Ų93.859%0.59448%0.481SS*.  trans-78.666.2-178-155.7-10.7000109.1Q694 S698 N699Q694-N696 PolarHBondContact O-N 3.17Å; Q694-N696 VanDerWaalsContact O-N 3.07Å; N696-S698 PolarHBondContact O-N 2.63Å; N696-S698 PolarHBondContact OD1-OG 3.48Å; N696-N699 PolarHBondContact O-N 2.95Å; N696-N699 VanDerWaalsContact O-N 3.07Å
697H34.5Very low42Very low94 Ų9486.4 Ų86.444%0.43544%0.441SS..THydrogen-bonded Turntrans-58.8-12.5-169.8-70.5-72.1000113.9R216 Y695 N699 I700R216-H697 PolarHBondContact NH2-O 3.38Å; Y695-H697 WeakPolarHBondContact CB-NE2 3.39Å; Y695-H697 PolarHBondContact O-CD2 2.79Å; Y695-H697 PolarHBondContact O-N 3.44Å; H697-N699 PolarHBondContact O-N 3.03Å; H697-I700 PolarHBondContact O-N 2.95Å
698S36.3Very low44.6Very low15 Ų1577.7 Ų77.711%0.10540%0.401CS..THydrogen-bonded Turntrans-59.1-30.6171.462.60000114R79 N696R79-S698 PolarHBondContact NH2-O 3.35Å; N696-S698 PolarHBondContact O-N 2.63Å; N696-S698 PolarHBondContact OD1-OG 3.48Å
699N34.7Very low46.8Very low87 Ų8771.6 Ų71.647%0.46537%0.368SS..SBendtrans-101.3-8.9-177.3-71.8-8.7000113.4N253 N696 H697 R701N253-N699 PolarHBondContact ND2-OD1 2.91Å; N696-N699 PolarHBondContact O-N 2.95Å; N696-N699 VanDerWaalsContact O-N 3.07Å; H697-N699 PolarHBondContact O-N 3.03Å; N699-R701 PolarHBondContact O-N 3.28Å
700I39.1Very low48.6Very low85 Ų8566.8 Ų66.844%0.43634%0.339SS..SBendtrans-77.1121175.7-62.3177.2000108.3H697H697-I700 PolarHBondContact O-N 2.95Å
701R44.7Very low50.1Low32 Ų3265.8 Ų65.812%0.12133%0.328CS..PPolyproline II helixtrans-52.3141.1176.9-169.5-169.8-129.4160.76.1110.1P252 N699 V736 Y737 S742 H781P252-R701 HydrophobicContact CG-CB 4.28Å; P252-R701 HydrophobicContact CG-CG 4.42Å; N699-R701 PolarHBondContact O-N 3.28Å; R701-V736 PolarHBondContact NH2-O 3.17Å; R701-Y737 PolarHBondContact NH2-O 3.22Å; R701-S742 VanDerWaalsContact NH1-CB 3.34Å; R701-S742 PolarHBondContact NH1-OG 3.17Å; R701-S742 PolarHBondContact NH2-OG 3.45Å; R701-H781 PolarHBondContact NH1-CD2 3.03Å; R701-H781 VanDerWaalsContact NH1-CD2 3.31Å; R701-H781 PolarHBondContact NH1-NE2 3.21Å
702P49.7Very low51.5Low3 Ų361 Ų612%0.01931%0.309CS..PPolyproline II helixtrans-52.2125.2169.8-28.237.3000110.6P137 W185 I218 G704 L705P137-P702 HydrophobicContact CG-CB 4Å; P137-P702 HydrophobicContact CG-CG 4.36Å; W185-P702 HydrophobicContact CH2-CG 3.62Å; W185-P702 HydrophobicContact CZ3-CG 4.18Å; I218-P702 HydrophobicContact CD1-CG 4.49Å; P702-G704 WeakPolarHBondContact CB-O 3.25Å; P702-G704 PolarHBondContact O-N 3.35Å; P702-L705 HydrophobicContact CB-CD2 3.64Å; P702-L705 HydrophobicContact CB-CG 4.1Å; P702-L705 HydrophobicContact CG-CD2 3.9Å
703P51.4Low52.5Low86 Ų8661.3 Ų61.356%0.55831%0.306SS*.SBendtrans-77.225.6177.734.4-37000112.1L136 P785L136-P703 HydrophobicContact CD2-CG 4.09Å; P703-P785 VanDerWaalsContact O-CD 3.26Å; P703-P785 WeakPolarHBondContact O-CD 3.34Å
704G64.8Low53.7Low0 Ų059.1 Ų59.10%029%0.291CS..SBendtrans139.4168.4-164.300000110.6P137 P702 P785P137-G704 VanDerWaalsContact CD-O 3.31Å; P137-G704 WeakPolarHBondContact CD-O 3.18Å; P702-G704 WeakPolarHBondContact CB-O 3.25Å; P702-G704 PolarHBondContact O-N 3.35Å; G704-P785 CarbonylContact C-O 3.43Å; G704-P785 WeakPolarHBondContact CA-O 3.4Å
705L81.3Confident54.5Low4 Ų454.2 Ų54.22%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-148.1143.7-177.6-68.9167.3000111.2P137 V139 I218 L250 P702 L707 P785 L786 V787P137-L705 HydrophobicContact CB-CD2 4.19Å; P137-L705 HydrophobicContact CG-CD2 4.44Å; V139-L705 HydrophobicContact CG2-CD2 4.34Å; I218-L705 HydrophobicContact CD1-CD2 3.88Å; L250-L705 HydrophobicContact CD1-CD1 3.8Å; L250-L705 HydrophobicContact CD2-CD1 3.56Å; L250-L705 HydrophobicContact CD2-CD2 3.91Å; L250-L705 HydrophobicContact CD2-CG 4.4Å; L250-L705 HydrophobicContact CG-CD1 4.22Å; P702-L705 HydrophobicContact CB-CD2 3.64Å; P702-L705 HydrophobicContact CB-CG 4.1Å; P702-L705 HydrophobicContact CG-CD2 3.9Å; L705-L707 HydrophobicContact CB-CD2 4.39Å; L705-P785 PolarHBondContact N-O 2.9Å; L705-L786 HydrophobicContact CB-CD2 3.86Å; L705-L786 HydrophobicContact CD1-CD2 3.9Å; L705-L786 HydrophobicContact CG-CD2 4.32Å; L705-L786 CarbonylContact O-C 3.56Å; L705-L786 WeakPolarHBondContact O-CA 3.37Å; L705-V787 PolarHBondContact O-N 3Å
706I80.5Confident55.2Low1 Ų149.5 Ų49.51%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-96.3123.2167.1-65.2161.4000108.4M130 A131 L136 P137 V138 V139 V787M130-I706 HydrophobicContact CB-CD1 3.95Å; M130-I706 HydrophobicContact CG-CD1 3.76Å; M130-I706 HydrophobicContact CG-CG1 3.96Å; A131-I706 VanDerWaalsContact CA-CD1 3.42Å; A131-I706 HydrophobicContact CB-CD1 3.66Å; A131-I706 VanDerWaalsContact N-CD1 3.3Å; L136-I706 HydrophobicContact CB-CD1 4.04Å; L136-I706 HydrophobicContact CB-CG1 4.03Å; P137-I706 PolarHBondContact O-N 3.21Å; V138-I706 HydrophobicContact CG2-CB 4.25Å; V138-I706 HydrophobicContact CG2-CD1 4.11Å; V138-I706 HydrophobicContact CG2-CG2 4.41Å; V139-I706 PolarHBondContact N-O 2.99Å; I706-V787 CarbonylContact C-O 3.5Å; I706-V787 WeakPolarHBondContact CA-O 3.27Å; I706-V787 HydrophobicContact CG1-CB 4.36Å
707L83.9Confident55.4Low4 Ų449.4 Ų49.42%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-87138.1-174.6-56.8-169.7000111.7L119 L705 C709 I726 Q729 L786 V787L119-L707 HydrophobicContact CD1-CD1 3.84Å; L705-L707 HydrophobicContact CB-CD2 4.39Å; L707-C709 PolarHBondContact O-N 3.4Å; L707-I726 HydrophobicContact CD1-CG2 4.37Å; L707-Q729 HydrophobicContact CD1-CB 4.02Å; L707-Q729 HydrophobicContact CD2-CB 3.96Å; L707-Q729 HydrophobicContact CD2-CG 4.42Å; L707-Q729 HydrophobicContact CG-CB 4.47Å; L707-L786 HydrophobicContact CD1-CB 4.24Å; L707-L786 HydrophobicContact CD1-CD1 4.37Å; L707-L786 HydrophobicContact CD2-CB 4.47Å; L707-L786 HydrophobicContact CD2-CD2 4.28Å; L707-L786 HydrophobicContact CG-CB 4.35Å; L707-V787 PolarHBondContact N-O 3.05Å
708D79.7Confident56Low10 Ų1049.6 Ų49.65%0.05326%0.262CS..PPolyproline II helixtrans-74119.7172.6179.119.7000110F141 Q157 G710 R725 Q729F141-D708 HydrophobicContact CD2-CB 3.76Å; F141-D708 WeakPolarHBondContact CD2-OD2 3.48Å; F141-D708 HydrophobicContact CE2-CB 4.14Å; F141-D708 PolarHBondContact N-OD2 3.38Å; Q157-D708 PolarHBondContact NE2-OD1 3.13Å; D708-G710 PolarHBondContact OD1-N 2.81Å; D708-R725 IonicContact OD2-CZ 3.92Å; D708-R725 IonicContact OD2-NH1 3.59Å; D708-R725 PolarHBondContact OD2-NH1 3.44Å; D708-Q729 PolarHBondContact O-NE2 2.88Å
709C71.8Confident56.7Low2 Ų254.1 Ų54.11%0.01428%0.277CS..  trans-98.3-11.3178.868.70000113.6L707 P722 I726 C789 N791 N793 L796L707-C709 PolarHBondContact O-N 3.4Å; C709-P722 WeakPolarHBondContact O-CB 3.39Å; C709-I726 HydrophobicContact CB-CD1 4.07Å; C709-C789 PolarHBondContact SG-O 3.16Å; C709-N791 PolarHBondContact SG-ND2 2.86Å; C709-N793 PolarHBondContact O-ND2 3.13Å; C709-L796 HydrophobicContact CB-CD1 3.64Å
710G65.4Low58.2Low13 Ų1351.3 Ų51.313%0.13427%0.266CS..  trans70.3141.4-162.800000113.7D708 N793D708-G710 PolarHBondContact OD1-N 2.81Å; G710-N793 PolarHBondContact O-ND2 2.9Å; G710-N793 VanDerWaalsContact O-ND2 3.13Å
711L59Low60.1Low49 Ų4948 Ų4826%0.25725%0.249SC..  trans-93.5127.3173.2-70.8177.9000110.8Q157 E713 Y714 N791Q157-L711 HydrophobicContact CG-CD1 4.29Å; Q157-L711 HydrophobicContact CG-CG 4.37Å; L711-E713 VanDerWaalsContact C-N 3.31Å; L711-E713 PolarHBondContact O-N 3.29Å; L711-Y714 HydrophobicContact CB-CD2 4.01Å; L711-Y714 HydrophobicContact CD1-CD2 3.85Å; L711-Y714 HydrophobicContact CD1-CE2 4.03Å; L711-Y714 CarbonylContact O-C 3.58Å; L711-Y714 PolarHBondContact O-N 3.43Å; L711-N791 HydrophobicContact CD2-CB 3.61Å
712E55.3Low61.9Low98 Ų9847 Ų4746%0.45825%0.247SC..THydrogen-bonded Turntrans-67.4-29-175.3-168.8162.9-144.800113.2Y714 N793 S794E712-Y714 PolarHBondContact O-N 3.16Å; E712-N793 WeakPolarHBondContact OE2-CA 3.46Å; E712-S794 WeakPolarHBondContact OE1-CB 3.36Å; E712-S794 PolarHBondContact OE1-OG 3.11Å; E712-S794 PolarHBondContact OE2-N 2.92Å
713E52.9Low63.8Low168 Ų16847.5 Ų47.579%0.78525%0.249SC*.THydrogen-bonded Turntrans-64.2-24.5171.4-61.3-173.6161.400113.5L711L711-E713 VanDerWaalsContact C-N 3.31Å; L711-E713 PolarHBondContact O-N 3.29Å
714Y52.1Low65.5Low54 Ų5443.6 Ų43.621%0.21222%0.223CC..  trans-111.773.6-177.9-61.5-47.2000110.2I155 Q157 H160 L711 E712 S716I155-Y714 HydrophobicContact CG2-CD1 3.69Å; I155-Y714 HydrophobicContact CG2-CE1 3.7Å; Q157-Y714 HydrophobicContact CB-CD2 4.39Å; H160-Y714 HydrophobicContact CB-CD2 4.42Å; H160-Y714 HydrophobicContact CB-CE2 3.73Å; H160-Y714 AromaticContact CG-CE2 3.72Å; H160-Y714 AromaticContact ND1-CE2 3.53Å; H160-Y714 AromaticContact ND1-CZ 3.58Å; H160-Y714 PolarHBondContact ND1-OH 3.02Å; L711-Y714 HydrophobicContact CB-CD2 4.01Å; L711-Y714 HydrophobicContact CD1-CD2 3.85Å; L711-Y714 HydrophobicContact CD1-CE2 4.03Å; L711-Y714 CarbonylContact O-C 3.58Å; L711-Y714 PolarHBondContact O-N 3.43Å; E712-Y714 PolarHBondContact O-N 3.16Å; Y714-S716 PolarHBondContact O-N 3.02Å
715S45.9Very low66.5Low76 Ų7645.5 Ų45.553%0.53123%0.23SC..  trans-60.389.6163.362.80000109.5N717S715-N717 PolarHBondContact O-N 3.03Å
716S43.1Very low66.9Low47 Ų4745.3 Ų45.333%0.32923%0.229SC..  trans-53.114016748.20000108.5Y714 Y718Y714-S716 PolarHBondContact O-N 3.02Å; S716-Y718 CarbonylContact O-C 3.45Å; S716-Y718 PolarHBondContact O-N 3.27Å; S716-Y718 PolarHBondContact OG-O 3.04Å
717N36.4Very low67.4Low110 Ų11045.2 Ų45.259%0.58823%0.229SC*.SBendtrans-59.8-0.8-178.7-65.5-52.1000114.4S715S715-N717 PolarHBondContact O-N 3.03Å
718Y47.5Very low67.6Low98 Ų9845.4 Ų45.438%0.38423%0.23SC..BIsolated β-bridgetrans-128120.9176.7-51.2-83.5000107.8Q224 Y225 P226 S716 A720Q224-Y718 HydrophobicContact CB-CD1 4.16Å; Q224-Y718 HydrophobicContact CB-CD2 4.18Å; Q224-Y718 HydrophobicContact CB-CG 3.71Å; Q224-Y718 HydrophobicContact CG-CG 4.39Å; Y225-Y718 CarbonylContact O-C 3.57Å; Y225-Y718 WeakPolarHBondContact O-CA 3.49Å; Y225-Y718 WeakPolarHBondContact O-CB 3.24Å; P226-Y718 HydrophobicContact CB-CD1 4.26Å; P226-Y718 HydrophobicContact CB-CE1 4.48Å; S716-Y718 CarbonylContact O-C 3.45Å; S716-Y718 PolarHBondContact O-N 3.27Å; S716-Y718 PolarHBondContact OG-O 3.04Å; Y718-A720 PolarHBondContact O-N 3.39Å
719Y51.7Low68Low110 Ų11045 Ų4543%0.43123%0.228SC..  trans-94.291.2-173.1-90.3-92000111.1Y225 A227 Q233Y225-Y719 PolarHBondContact O-N 3.47Å; A227-Y719 HydrophobicContact CB-CD2 4.28Å; Q233-Y719 PolarHBondContact NE2-O 3.04Å
720A65.8Low68.9Low27 Ų2744.9 Ų44.922%0.22323%0.227CC..  trans-75.3132.1154.600000108.7Y718Y718-A720 PolarHBondContact O-N 3.39Å
721D79.8Confident70Confident16 Ų1644.3 Ų44.39%0.08622%0.221CC..  trans-73121.6175170.740.3000110.2Q723 L724 R725D721-Q723 VanDerWaalsContact C-N 3.27Å; D721-Q723 PolarHBondContact O-N 3.42Å; D721-Q723 PolarHBondContact OD1-N 3.14Å; D721-Q723 WeakPolarHBondContact OD2-CB 3.46Å; D721-L724 HydrophobicContact CB-CB 4.08Å; D721-L724 PolarHBondContact O-N 2.78Å; D721-L724 WeakPolarHBondContact OD2-CB 3.41Å; D721-L724 PolarHBondContact OD2-N 3.22Å; D721-R725 WeakPolarHBondContact O-CB 3.49Å; D721-R725 PolarHBondContact O-N 3.34Å
722P82.6Confident71.3Confident12 Ų1242 Ų428%0.07821%0.209CC..Hα-helixtrans-66-29.2-179.228.7-37.7000112.6C709 I726 K795 L796C709-P722 WeakPolarHBondContact O-CB 3.39Å; P722-I726 WeakPolarHBondContact O-CD1 3.41Å; P722-I726 WeakPolarHBondContact O-CG1 3.26Å; P722-I726 PolarHBondContact O-N 3.31Å; P722-K795 HydrophobicContact CG-CB 4Å; P722-K795 HydrophobicContact CG-CD 3.66Å; P722-K795 HydrophobicContact CG-CG 4.45Å; P722-L796 HydrophobicContact CB-CD1 4.44Å; P722-L796 HydrophobicContact CB-CD2 4.17Å; P722-L796 HydrophobicContact CB-CG 4.47Å
723Q89.4Confident72.6Confident13 Ų1337.3 Ų37.36%0.06119%0.187CC..Hα-helixtrans-61.2-54.2174.4-62.7-172.7-14.100109.6D721 R725 I726 L727 K795 L796 S863 L864 F865D721-Q723 VanDerWaalsContact C-N 3.27Å; D721-Q723 PolarHBondContact O-N 3.42Å; D721-Q723 PolarHBondContact OD1-N 3.14Å; D721-Q723 WeakPolarHBondContact OD2-CB 3.46Å; Q723-R725 PolarHBondContact O-N 3.01Å; Q723-I726 PolarHBondContact O-N 3.22Å; Q723-L727 PolarHBondContact O-N 3.46Å; Q723-K795 HydrophobicContact CG-CB 4.4Å; Q723-K795 WeakPolarHBondContact CG-O 3.28Å; Q723-K795 PolarHBondContact NE2-O 3.23Å; Q723-L796 HydrophobicContact CG-CD2 4.19Å; Q723-S863 PolarHBondContact NE2-OG 2.72Å; Q723-S863 PolarHBondContact OE1-OG 3.09Å; Q723-L864 HydrophobicContact CB-CB 4.4Å; Q723-F865 HydrophobicContact CB-CD1 3.84Å; Q723-F865 HydrophobicContact CB-CD2 4.37Å; Q723-F865 HydrophobicContact CB-CE1 3.51Å; Q723-F865 HydrophobicContact CB-CE2 4.07Å; Q723-F865 HydrophobicContact CB-CG 4.26Å; Q723-F865 HydrophobicContact CB-CZ 3.63Å; Q723-F865 HydrophobicContact CG-CD1 4.06Å; Q723-F865 HydrophobicContact CG-CD2 3.76Å; Q723-F865 HydrophobicContact CG-CE1 3.99Å; Q723-F865 HydrophobicContact CG-CE2 3.68Å; Q723-F865 HydrophobicContact CG-CG 3.94Å; Q723-F865 HydrophobicContact CG-CZ 3.79Å
724L87.4Confident73.9Confident4 Ų429.3 Ų29.32%0.02115%0.15CC..Hα-helixtrans-59.5-45.7176.6-177.664.6000113.4Q233 Y234 L239 D721 I726 L727 I728 I820 L864Q233-L724 HydrophobicContact CB-CD2 4.33Å; Q233-L724 HydrophobicContact CG-CD2 3.72Å; Y234-L724 HydrophobicContact CD1-CD1 4.37Å; Y234-L724 HydrophobicContact CD1-CD2 3.77Å; Y234-L724 HydrophobicContact CD1-CG 4.48Å; Y234-L724 HydrophobicContact CE1-CB 4.26Å; Y234-L724 HydrophobicContact CE1-CD2 4.01Å; Y234-L724 HydrophobicContact CG-CD2 4.44Å; L239-L724 HydrophobicContact CD2-CD1 3.71Å; L239-L724 HydrophobicContact CD2-CD2 4Å; L239-L724 HydrophobicContact CD2-CG 4.33Å; D721-L724 HydrophobicContact CB-CB 4.08Å; D721-L724 PolarHBondContact O-N 2.78Å; D721-L724 WeakPolarHBondContact OD2-CB 3.41Å; D721-L724 PolarHBondContact OD2-N 3.22Å; L724-I726 PolarHBondContact O-N 2.87Å; L724-L727 PolarHBondContact O-N 2.75Å; L724-L727 VanDerWaalsContact O-N 3.15Å; L724-I728 HydrophobicContact CD1-CD1 4.06Å; L724-I728 HydrophobicContact CD1-CG1 4.15Å; L724-I728 HydrophobicContact CD2-CD1 4.13Å; L724-I728 HydrophobicContact CG-CD1 3.73Å; L724-I728 HydrophobicContact CG-CG1 4.22Å; L724-I728 WeakPolarHBondContact O-CG1 3.2Å; L724-I728 PolarHBondContact O-N 3.41Å; L724-I820 HydrophobicContact CD1-CD1 4.36Å; L724-I820 HydrophobicContact CD1-CG2 3.54Å; L724-L864 HydrophobicContact CB-CD2 4Å; L724-L864 HydrophobicContact CD1-CD2 3.99Å
725R85.5Confident75.2Confident39 Ų3927.7 Ų27.715%0.14715%0.145CC..Hα-helixtrans-58-35.4-177.7174.9175.4-76.9-178.22.6112.4F141 D708 D721 Q723 Q729F141-R725 HydrophobicContact CD2-CG 4.44Å; F141-R725 HydrophobicContact CE2-CG 4.01Å; F141-R725 HydrophobicContact CZ-CG 4.16Å; D708-R725 IonicContact OD2-CZ 3.92Å; D708-R725 IonicContact OD2-NH1 3.59Å; D708-R725 PolarHBondContact OD2-NH1 3.44Å; D721-R725 WeakPolarHBondContact O-CB 3.49Å; D721-R725 PolarHBondContact O-N 3.34Å; Q723-R725 PolarHBondContact O-N 3.01Å; R725-Q729 WeakPolarHBondContact O-CG 3.17Å; R725-Q729 PolarHBondContact O-N 3.34Å; R725-Q729 VanDerWaalsContact O-N 3.17Å; R725-Q729 PolarHBondContact O-NE2 2.72Å
726I88.8Confident76.5Confident0 Ų024.3 Ų24.30%012%0.121CC..Hα-helixtrans-73.7-41.9178-70.9159.4000111.2L119 L707 C709 P722 Q723 L724 I728 Q729 W730 C788 L796 L799L119-I726 HydrophobicContact CD2-CG2 4.39Å; L707-I726 HydrophobicContact CD1-CG2 4.37Å; C709-I726 HydrophobicContact CB-CD1 4.07Å; P722-I726 WeakPolarHBondContact O-CD1 3.41Å; P722-I726 WeakPolarHBondContact O-CG1 3.26Å; P722-I726 PolarHBondContact O-N 3.31Å; Q723-I726 PolarHBondContact O-N 3.22Å; L724-I726 PolarHBondContact O-N 2.87Å; I726-I728 PolarHBondContact O-N 2.97Å; I726-Q729 PolarHBondContact O-N 3.38Å; I726-W730 PolarHBondContact O-N 3.42Å; I726-C788 WeakPolarHBondContact CD1-SG 3.27Å; I726-L796 HydrophobicContact CD1-CD1 3.47Å; I726-L796 VanDerWaalsContact CD1-CD1 3.47Å; I726-L796 HydrophobicContact CD1-CD2 3.63Å; I726-L796 HydrophobicContact CD1-CG 4.19Å; I726-L799 HydrophobicContact CD1-CD2 4.16Å; I726-L799 HydrophobicContact CG2-CD1 3.9Å; I726-L799 HydrophobicContact CG2-CD2 4.18Å
727L91.3Very high77.9Confident0 Ų022.7 Ų22.70%011%0.107CC..Hα-helixtrans-65.8-38.6177.1-57.2-179.1000112.1Q723 L724 W730 I731 L816 I820 L864 F865 L868Q723-L727 PolarHBondContact O-N 3.46Å; L724-L727 PolarHBondContact O-N 2.75Å; L724-L727 VanDerWaalsContact O-N 3.15Å; L727-W730 HydrophobicContact CD2-CE3 4.01Å; L727-W730 HydrophobicContact CD2-CZ3 4.38Å; L727-W730 PolarHBondContact O-N 3.18Å; L727-I731 WeakPolarHBondContact O-CG1 3.35Å; L727-I731 PolarHBondContact O-N 2.71Å; L727-L816 HydrophobicContact CD1-CD1 4.36Å; L727-L816 HydrophobicContact CD2-CD1 4.33Å; L727-L816 HydrophobicContact CD2-CD2 4.27Å; L727-I820 HydrophobicContact CB-CD1 3.85Å; L727-I820 HydrophobicContact CD1-CD1 4.04Å; L727-I820 HydrophobicContact CD1-CG1 4.15Å; L727-L864 HydrophobicContact CD1-CD2 3.93Å; L727-L864 HydrophobicContact CD1-CG 4.19Å; L727-F865 HydrophobicContact CD1-CE1 4.1Å; L727-F865 HydrophobicContact CD2-CE1 4.25Å; L727-F865 HydrophobicContact CG-CE1 4.14Å; L727-L868 HydrophobicContact CD1-CD1 3.61Å
728I88.3Confident79.3Confident8 Ų821.4 Ų21.44%0.04110%0.101CC..Hα-helixtrans-59.5-45.8172.4-73.1175.7000110.8L239 E242 I243 V246 L724 I726 W730 I731 S732L239-I728 HydrophobicContact CD2-CD1 4.07Å; E242-I728 HydrophobicContact CB-CD1 3.97Å; E242-I728 HydrophobicContact CB-CG2 4.07Å; I243-I728 HydrophobicContact CG1-CG1 4.49Å; I243-I728 HydrophobicContact CG1-CG2 4.03Å; V246-I728 HydrophobicContact CG2-CG2 4.07Å; L724-I728 HydrophobicContact CD1-CD1 4.06Å; L724-I728 HydrophobicContact CD1-CG1 4.15Å; L724-I728 HydrophobicContact CD2-CD1 4.13Å; L724-I728 HydrophobicContact CG-CD1 3.73Å; L724-I728 HydrophobicContact CG-CG1 4.22Å; L724-I728 WeakPolarHBondContact O-CG1 3.2Å; L724-I728 PolarHBondContact O-N 3.41Å; I726-I728 PolarHBondContact O-N 2.97Å; I728-W730 VanDerWaalsContact C-N 3.32Å; I728-W730 PolarHBondContact O-N 2.69Å; I728-I731 PolarHBondContact O-N 3.17Å; I728-S732 VanDerWaalsContact O-CB 3.25Å; I728-S732 WeakPolarHBondContact O-CB 3.08Å; I728-S732 PolarHBondContact O-N 3.26Å; I728-S732 PolarHBondContact O-OG 3.21Å
729Q88.6Confident79.9Confident1 Ų117.1 Ų17.11%0.0059%0.085CC..Hα-helixtrans-60.8-40.7175.6-78169.3102.300112.2F141 V246 L707 D708 R725 I726 S732 A733F141-Q729 HydrophobicContact CE2-CG 3.98Å; F141-Q729 HydrophobicContact CZ-CG 3.89Å; V246-Q729 HydrophobicContact CG1-CG 3.95Å; L707-Q729 HydrophobicContact CD1-CB 4.02Å; L707-Q729 HydrophobicContact CD2-CB 3.96Å; L707-Q729 HydrophobicContact CD2-CG 4.42Å; L707-Q729 HydrophobicContact CG-CB 4.47Å; D708-Q729 PolarHBondContact O-NE2 2.88Å; R725-Q729 WeakPolarHBondContact O-CG 3.17Å; R725-Q729 PolarHBondContact O-N 3.34Å; R725-Q729 VanDerWaalsContact O-N 3.17Å; R725-Q729 PolarHBondContact O-NE2 2.72Å; I726-Q729 PolarHBondContact O-N 3.38Å; Q729-S732 PolarHBondContact O-N 3.4Å; Q729-A733 VanDerWaalsContact O-CB 3.3Å; Q729-A733 WeakPolarHBondContact O-CB 3.38Å; Q729-A733 PolarHBondContact O-N 3.41Å
730W89.9Confident79.6Confident0 Ų015.2 Ų15.20%09%0.086CC..Hα-helixtrans-66.5-44.3-179.9-164.313.1000112.7L116 P117 L119 I726 L727 I728 T734 L786 V803 V806 Y807 L816L116-W730 HydrophobicContact CB-CZ2 3.95Å; L116-W730 HydrophobicContact CD1-CH2 4.24Å; L116-W730 HydrophobicContact CD1-CZ2 4.09Å; L116-W730 HydrophobicContact CD2-CD2 4Å; L116-W730 HydrophobicContact CD2-CG 3.96Å; L116-W730 HydrophobicContact CG-CZ2 4.47Å; P117-W730 PolarHBondContact O-NE1 3Å; L119-W730 HydrophobicContact CB-CD2 4.33Å; L119-W730 HydrophobicContact CB-CZ2 4.14Å; L119-W730 HydrophobicContact CD2-CB 4.44Å; L119-W730 HydrophobicContact CD2-CD2 3.59Å; L119-W730 HydrophobicContact CD2-CE3 3.77Å; L119-W730 HydrophobicContact CD2-CG 3.93Å; L119-W730 HydrophobicContact CD2-CZ2 4.42Å; L119-W730 HydrophobicContact CD2-CZ3 4.26Å; I726-W730 PolarHBondContact O-N 3.42Å; L727-W730 HydrophobicContact CD2-CE3 4.01Å; L727-W730 HydrophobicContact CD2-CZ3 4.38Å; L727-W730 PolarHBondContact O-N 3.18Å; I728-W730 VanDerWaalsContact C-N 3.32Å; I728-W730 PolarHBondContact O-N 2.69Å; W730-T734 PolarHBondContact O-N 3.46Å; W730-T734 PolarHBondContact O-OG1 2.76Å; W730-L786 HydrophobicContact CB-CD1 4.49Å; W730-L786 HydrophobicContact CG-CD1 4.34Å; W730-V803 HydrophobicContact CH2-CB 4.28Å; W730-V803 HydrophobicContact CH2-CG1 4.18Å; W730-V803 HydrophobicContact CH2-CG2 3.94Å; W730-V803 HydrophobicContact CZ3-CG2 3.92Å; W730-V806 HydrophobicContact CH2-CB 3.97Å; W730-V806 HydrophobicContact CH2-CG1 3.55Å; W730-V806 HydrophobicContact CZ2-CG1 4.32Å; W730-V806 HydrophobicContact CZ3-CB 4.38Å; W730-V806 HydrophobicContact CZ3-CG1 4.03Å; W730-V806 HydrophobicContact CZ3-CG2 4.49Å; W730-Y807 AromaticContact CZ2-CE1 3.94Å; W730-Y807 HydrophobicContact CZ2-CE1 3.94Å; W730-Y807 HydrophobicContact CZ2-CE2 4.31Å; W730-Y807 AromaticContact CZ2-CZ 3.67Å; W730-Y807 WeakPolarHBondContact CZ2-OH 3.5Å; W730-L816 HydrophobicContact CD2-CD2 4.35Å; W730-L816 HydrophobicContact CE3-CD2 3.69Å; W730-L816 HydrophobicContact CZ3-CD2 4.07Å
731I89Confident78.6Confident0 Ų015 Ų150%08%0.083CC..Hα-helixtrans-63.7-45.2173.5-66162.3000110.4L111 I243 L727 I728 A733 T734 L735 A813 L816 F817 I820L111-I731 HydrophobicContact CD1-CG2 3.85Å; L111-I731 HydrophobicContact CD2-CG2 3.88Å; I243-I731 HydrophobicContact CD1-CG2 3.91Å; I243-I731 HydrophobicContact CG1-CG2 4.36Å; I243-I731 HydrophobicContact CG2-CG2 4.33Å; L727-I731 WeakPolarHBondContact O-CG1 3.35Å; L727-I731 PolarHBondContact O-N 2.71Å; I728-I731 PolarHBondContact O-N 3.17Å; I731-A733 PolarHBondContact O-N 3.38Å; I731-T734 WeakPolarHBondContact O-CA 3.43Å; I731-T734 WeakPolarHBondContact O-CB 3.3Å; I731-T734 PolarHBondContact O-N 3.37Å; I731-T734 PolarHBondContact O-OG1 3.32Å; I731-L735 PolarHBondContact O-N 2.88Å; I731-A813 HydrophobicContact CG2-CB 4.49Å; I731-L816 HydrophobicContact CD1-CD2 4.26Å; I731-L816 HydrophobicContact CD1-CG 4.18Å; I731-L816 HydrophobicContact CG1-CD2 4.01Å; I731-L816 HydrophobicContact CG1-CG 4.38Å; I731-F817 HydrophobicContact CD1-CB 4.08Å; I731-F817 HydrophobicContact CD1-CD2 4.5Å; I731-I820 HydrophobicContact CD1-CD1 3.83Å
732S86.3Confident76.9Confident0 Ų014.7 Ų14.70%08%0.082CC..Hα-helixtrans-62.9-44.2-179.3-58.30000112.3I243 S247 I728 Q729 T734 L735 V736I243-S732 WeakPolarHBondContact CA-OG 3.28Å; I243-S732 PolarHBondContact O-OG 3.28Å; S247-S732 WeakPolarHBondContact OG-CA 3.39Å; S247-S732 WeakPolarHBondContact OG-CB 3.19Å; I728-S732 VanDerWaalsContact O-CB 3.25Å; I728-S732 WeakPolarHBondContact O-CB 3.08Å; I728-S732 PolarHBondContact O-N 3.26Å; I728-S732 PolarHBondContact O-OG 3.21Å; Q729-S732 PolarHBondContact O-N 3.4Å; S732-T734 PolarHBondContact O-N 2.64Å; S732-L735 WeakPolarHBondContact O-CB 3.34Å; S732-L735 PolarHBondContact O-N 2.82Å; S732-L735 VanDerWaalsContact O-N 3.12Å; S732-V736 WeakPolarHBondContact O-CG2 3.41Å; S732-V736 PolarHBondContact O-N 3.09Å
733A81.8Confident74.8Confident1 Ų118.2 Ų18.21%0.00810%0.096CC..Hα-helixtrans-58.6-29.617300000112.5P117 Q729 I731 V736 Y737 L786P117-A733 HydrophobicContact CG-CB 4.19Å; Q729-A733 VanDerWaalsContact O-CB 3.3Å; Q729-A733 WeakPolarHBondContact O-CB 3.38Å; Q729-A733 PolarHBondContact O-N 3.41Å; I731-A733 PolarHBondContact O-N 3.38Å; A733-V736 WeakPolarHBondContact O-CB 3.5Å; A733-V736 PolarHBondContact O-N 3.38Å; A733-Y737 HydrophobicContact CB-CD2 4.17Å; A733-Y737 HydrophobicContact CB-CE2 3.97Å; A733-Y737 WeakPolarHBondContact O-CB 3.4Å; A733-Y737 WeakPolarHBondContact O-CD2 3.34Å; A733-Y737 PolarHBondContact O-N 2.9Å; A733-L786 HydrophobicContact CB-CD1 3.64Å; A733-L786 HydrophobicContact CB-CD2 3.84Å; A733-L786 HydrophobicContact CB-CG 4.29Å
734T81.9Confident72.1Confident0 Ų023 Ų230%012%0.121CC..Hα-helixtrans-65.1-44175.2-50.20000111.8T114 H115 P117 W730 I731 S732 V736 Y737 N738 A813T114-T734 WeakPolarHBondContact OG1-CG2 3.47Å; H115-T734 WeakPolarHBondContact O-CG2 3.33Å; P117-T734 WeakPolarHBondContact CD-OG1 3.27Å; W730-T734 PolarHBondContact O-N 3.46Å; W730-T734 PolarHBondContact O-OG1 2.76Å; I731-T734 WeakPolarHBondContact O-CA 3.43Å; I731-T734 WeakPolarHBondContact O-CB 3.3Å; I731-T734 PolarHBondContact O-N 3.37Å; I731-T734 PolarHBondContact O-OG1 3.32Å; S732-T734 PolarHBondContact O-N 2.64Å; T734-V736 VanDerWaalsContact C-N 3.34Å; T734-Y737 PolarHBondContact O-N 3.27Å; T734-N738 WeakPolarHBondContact O-CB 3.34Å; T734-N738 PolarHBondContact O-N 3.47Å; T734-N738 VanDerWaalsContact O-N 3.14Å; T734-N738 PolarHBondContact O-ND2 3.35Å; T734-A813 HydrophobicContact CG2-CB 3.81Å
735L77.8Confident69.7Low20 Ų2025.4 Ų25.411%0.10514%0.138CC..Hα-helixtrans-63.6-41.6174.5-65.4163.1000111.2L107 A110 L111 I243 I731 S732 S739L107-L735 HydrophobicContact CD1-CD1 3.69Å; L107-L735 HydrophobicContact CD1-CD2 4.26Å; A110-L735 HydrophobicContact CB-CD2 4.26Å; L111-L735 HydrophobicContact CD2-CD1 4.13Å; L111-L735 HydrophobicContact CD2-CD2 3.58Å; L111-L735 HydrophobicContact CD2-CG 3.66Å; L111-L735 HydrophobicContact CG-CD2 4.19Å; I243-L735 HydrophobicContact CG2-CD1 3.58Å; I731-L735 PolarHBondContact O-N 2.88Å; S732-L735 WeakPolarHBondContact O-CB 3.34Å; S732-L735 PolarHBondContact O-N 2.82Å; S732-L735 VanDerWaalsContact O-N 3.12Å; L735-S739 PolarHBondContact O-N 3.02Å
736V74.8Confident67.6Low4 Ų427.6 Ų27.62%0.02415%0.147CC..Hα-helixtrans-59.8-51.9176.2178.70000111L250 F251 R701 S732 A733 T734L250-V736 HydrophobicContact CB-CB 4.37Å; L250-V736 HydrophobicContact CB-CG1 4.12Å; L250-V736 HydrophobicContact CB-CG2 3.43Å; L250-V736 VanDerWaalsContact CB-CG2 3.43Å; L250-V736 HydrophobicContact CD1-CG2 4.31Å; F251-V736 HydrophobicContact CD2-CB 3.95Å; F251-V736 HydrophobicContact CD2-CG1 4.01Å; F251-V736 HydrophobicContact CD2-CG2 3.55Å; F251-V736 HydrophobicContact CE2-CB 4.08Å; F251-V736 HydrophobicContact CE2-CG2 3.7Å; F251-V736 HydrophobicContact CG-CG1 4.47Å; R701-V736 PolarHBondContact NH2-O 3.17Å; S732-V736 WeakPolarHBondContact O-CG2 3.41Å; S732-V736 PolarHBondContact O-N 3.09Å; A733-V736 WeakPolarHBondContact O-CB 3.5Å; A733-V736 PolarHBondContact O-N 3.38Å; T734-V736 VanDerWaalsContact C-N 3.34Å
737Y70.7Confident65Low14 Ų1428.8 Ų28.86%0.05515%0.153CC..Hα-helixtrans-70-33.5-172.8-71.1-50.5000113P117 R701 A733 T734 L786P117-Y737 HydrophobicContact CB-CD2 3.74Å; P117-Y737 HydrophobicContact CB-CE2 3.98Å; P117-Y737 HydrophobicContact CG-CD2 3.93Å; P117-Y737 HydrophobicContact CG-CE2 4.16Å; R701-Y737 PolarHBondContact NH2-O 3.22Å; A733-Y737 HydrophobicContact CB-CD2 4.17Å; A733-Y737 HydrophobicContact CB-CE2 3.97Å; A733-Y737 WeakPolarHBondContact O-CB 3.4Å; A733-Y737 WeakPolarHBondContact O-CD2 3.34Å; A733-Y737 PolarHBondContact O-N 2.9Å; T734-Y737 PolarHBondContact O-N 3.27Å; Y737-L786 HydrophobicContact CE2-CD2 3.95Å
738N66.9Low62.6Low83 Ų8330.2 Ų30.244%0.44417%0.168SC..Hα-helixtrans-87-9-179.2-69.4-76000115T114 T734T114-N738 HydrophobicContact CG2-CB 3.76Å; T734-N738 WeakPolarHBondContact O-CB 3.34Å; T734-N738 PolarHBondContact O-N 3.47Å; T734-N738 VanDerWaalsContact O-N 3.14Å; T734-N738 PolarHBondContact O-ND2 3.35Å
739S59.2Low60.6Low7 Ų733.3 Ų33.35%0.04919%0.191CC..  trans-59.7135.6-178.7171.20000114.2F251 L735 C741 S742F251-S739 WeakPolarHBondContact CE1-OG 3.45Å; L735-S739 PolarHBondContact O-N 3.02Å; S739-C741 PolarHBondContact O-N 3.42Å; S739-C741 PolarHBondContact OG-N 3.47Å; S739-S742 PolarHBondContact O-N 2.75Å; S739-S742 PolarHBondContact O-OG 3.18Å
740P46.9Very low58.4Low71 Ų7136.5 Ų36.546%0.46120%0.204SC..Hα-helixtrans-63.8-24.817827.5-35.6000113.8S742 K743 L744P740-S742 PolarHBondContact O-N 3.05Å; P740-S742 VanDerWaalsContact O-N 3.12Å; P740-K743 PolarHBondContact O-N 3.47Å; P740-L744 HydrophobicContact CB-CD1 4.29Å; P740-L744 PolarHBondContact O-N 3.16Å
741C43.4Very low56.2Low23 Ų2340.9 Ų40.916%0.15523%0.226CC..Hα-helixtrans-54.7-29.8175.2-58.40000112.6E254 S739 S745E254-C741 HydrophobicContact CG-CB 4.29Å; E254-C741 WeakPolarHBondContact OE2-CB 3.16Å; E254-C741 PolarHBondContact OE2-SG 2.92Å; S739-C741 PolarHBondContact O-N 3.42Å; S739-C741 PolarHBondContact OG-N 3.47Å; C741-S745 WeakPolarHBondContact O-CB 3.43Å; C741-S745 PolarHBondContact O-N 3.39Å; C741-S745 PolarHBondContact O-OG 2.85Å
742S43.8Very low54Low9 Ų946.1 Ų46.16%0.06325%0.254CS..Hα-helixtrans-75.5-33.1176.2660000114.4R701 S739 P740 H781R701-S742 VanDerWaalsContact NH1-CB 3.34Å; R701-S742 PolarHBondContact NH1-OG 3.17Å; R701-S742 PolarHBondContact NH2-OG 3.45Å; S739-S742 PolarHBondContact O-N 2.75Å; S739-S742 PolarHBondContact O-OG 3.18Å; P740-S742 PolarHBondContact O-N 3.05Å; P740-S742 VanDerWaalsContact O-N 3.12Å; S742-H781 PolarHBondContact OG-NE2 2.87Å
743K38.5Very low52.2Low85 Ų8549.6 Ų49.637%0.3728%0.278SS..Hα-helixtrans-79.7-39.9178.7-65.1-174.6177.4-174.50110.4P740 L747 I777P740-K743 PolarHBondContact O-N 3.47Å; K743-L747 VanDerWaalsContact O-CB 3.25Å; K743-L747 WeakPolarHBondContact O-CB 3.21Å; K743-L747 WeakPolarHBondContact O-CD1 3.4Å; K743-L747 WeakPolarHBondContact O-CG 3.48Å; K743-L747 PolarHBondContact O-N 3.29Å; K743-I777 HydrophobicContact CG-CG2 4.32Å
744L33.4Very low50.5Low115 Ų11553.4 Ų53.460%0.60230%0.298SS*.Hα-helixtrans-75.9-40.8-175.4-86.5151.9000114.4P740 L747 G748P740-L744 HydrophobicContact CB-CD1 4.29Å; P740-L744 PolarHBondContact O-N 3.16Å; L744-L747 PolarHBondContact O-N 3.3Å; L744-G748 PolarHBondContact O-N 3.31Å
745S37.8Very low48.8Very low53 Ų5356.6 Ų56.637%0.37132%0.32SS..Hα-helixtrans-66.8-41-177.953.30000113.4C741 S749C741-S745 WeakPolarHBondContact O-CB 3.43Å; C741-S745 PolarHBondContact O-N 3.39Å; C741-S745 PolarHBondContact O-OG 2.85Å; S745-S749 PolarHBondContact O-N 2.93Å; S745-S749 VanDerWaalsContact O-N 3.14Å; S745-S749 PolarHBondContact O-OG 3.36Å
746Y40.1Very low47.2Very low85 Ų8562.8 Ų62.833%0.33335%0.353SS..Hα-helixtrans-70.8-41.7173.4-180-124000112S749 K750 I777Y746-S749 PolarHBondContact O-OG 2.92Å; Y746-K750 HydrophobicContact CE2-CD 4.16Å; Y746-K750 WeakPolarHBondContact O-CB 3.38Å; Y746-K750 PolarHBondContact O-N 3.01Å; Y746-K750 PolarHBondContact OH-NZ 2.79Å; Y746-I777 HydrophobicContact CD1-CD1 3.53Å; Y746-I777 HydrophobicContact CD1-CG1 3.67Å; Y746-I777 HydrophobicContact CE1-CD1 3.77Å; Y746-I777 HydrophobicContact CE1-CG1 3.65Å
747L35Very low45.7Very low26 Ų2670.5 Ų70.514%0.13639%0.389CS..Hα-helixtrans-62.2-43.2174.4-80.5170.6000112.5K743 L744 K750 M751 L770 L773 I777K743-L747 VanDerWaalsContact O-CB 3.25Å; K743-L747 WeakPolarHBondContact O-CB 3.21Å; K743-L747 WeakPolarHBondContact O-CD1 3.4Å; K743-L747 WeakPolarHBondContact O-CG 3.48Å; K743-L747 PolarHBondContact O-N 3.29Å; L744-L747 PolarHBondContact O-N 3.3Å; L747-K750 PolarHBondContact O-N 3.45Å; L747-M751 VanDerWaalsContact O-CB 3.25Å; L747-M751 WeakPolarHBondContact O-CB 3.31Å; L747-M751 WeakPolarHBondContact O-CG 3.49Å; L747-M751 PolarHBondContact O-N 3.42Å; L747-L770 HydrophobicContact CD2-CD1 3.97Å; L747-L773 HydrophobicContact CD2-CD2 3.62Å; L747-I777 HydrophobicContact CD2-CD1 3.96Å; L747-I777 HydrophobicContact CG-CD1 3.99Å
748G41.6Very low44.2Very low30 Ų3075.2 Ų75.231%0.30942%0.415SS..Hα-helixtrans-68.1-43-178.600000113L744 N752L744-G748 PolarHBondContact O-N 3.31Å; G748-N752 VanDerWaalsContact O-CG 3.26Å; G748-N752 PolarHBondContact O-N 3.08Å; G748-N752 PolarHBondContact O-OD1 3.46Å
749S44.8Very low43.3Very low73 Ų7380.5 Ų80.551%0.5143%0.434SS..Hα-helixtrans-65.3-39.2174.749.80000112.4S745 Y746 S753S745-S749 PolarHBondContact O-N 2.93Å; S745-S749 VanDerWaalsContact O-N 3.14Å; S745-S749 PolarHBondContact O-OG 3.36Å; Y746-S749 PolarHBondContact O-OG 2.92Å; S749-S753 PolarHBondContact O-N 3.02Å
750K43.6Very low42.5Very low68 Ų6887.1 Ų87.130%0.29647%0.469SS..Hα-helixtrans-74.6-37177.5-153.3164.5-172.9175.40112.7Y746 L747 N752 S753 L754 L773Y746-K750 HydrophobicContact CE2-CD 4.16Å; Y746-K750 WeakPolarHBondContact O-CB 3.38Å; Y746-K750 PolarHBondContact O-N 3.01Å; Y746-K750 PolarHBondContact OH-NZ 2.79Å; L747-K750 PolarHBondContact O-N 3.45Å; K750-N752 VanDerWaalsContact C-N 3.35Å; K750-N752 PolarHBondContact O-N 3.41Å; K750-S753 WeakPolarHBondContact CA-OG 3.4Å; K750-S753 PolarHBondContact O-N 2.92Å; K750-S753 PolarHBondContact O-OG 2.93Å; K750-L754 HydrophobicContact CG-CD1 4.36Å; K750-L754 PolarHBondContact O-N 3.4Å; K750-L773 HydrophobicContact CD-CD1 3.91Å; K750-L773 HydrophobicContact CD-CD2 4.14Å
751M42.7Very low42.2Very low92 Ų9290.4 Ų90.445%0.45348%0.483SS..Hα-helixtrans-58-45.4171.1-86.9-174.513900111.6L747 S753 L754 S755 L770L747-M751 VanDerWaalsContact O-CB 3.25Å; L747-M751 WeakPolarHBondContact O-CB 3.31Å; L747-M751 WeakPolarHBondContact O-CG 3.49Å; L747-M751 PolarHBondContact O-N 3.42Å; M751-S753 VanDerWaalsContact C-N 3.28Å; M751-S753 PolarHBondContact O-N 3.38Å; M751-L754 PolarHBondContact O-N 2.8Å; M751-S755 PolarHBondContact O-N 2.85Å; M751-S755 PolarHBondContact O-OG 3.43Å; M751-L770 HydrophobicContact CE-CD1 3.96Å; M751-L770 HydrophobicContact CE-CD2 4.13Å
752N43.8Very low42.4Very low110 Ų11095.1 Ų95.159%0.58851%0.506SS*.Hα-helixtrans-61.4-36.1177.6-70.9-6.6000112.2G748 K750 S755G748-N752 VanDerWaalsContact O-CG 3.26Å; G748-N752 PolarHBondContact O-N 3.08Å; G748-N752 PolarHBondContact O-OD1 3.46Å; K750-N752 VanDerWaalsContact C-N 3.35Å; K750-N752 PolarHBondContact O-N 3.41Å; N752-S755 WeakPolarHBondContact CA-OG 3.25Å; N752-S755 PolarHBondContact O-OG 2.94Å; N752-S755 VanDerWaalsContact O-OG 3.11Å
753S48.6Very low42.8Very low73 Ų73100.8 Ų100.851%0.5154%0.536SS..Hα-helixtrans-71.5-27.9173.158.60000114.3S749 K750 M751S749-S753 PolarHBondContact O-N 3.02Å; K750-S753 WeakPolarHBondContact CA-OG 3.4Å; K750-S753 PolarHBondContact O-N 2.92Å; K750-S753 PolarHBondContact O-OG 2.93Å; M751-S753 VanDerWaalsContact C-N 3.28Å; M751-S753 PolarHBondContact O-N 3.38Å
754L44.9Very low43.6Very low81 Ų8199.9 Ų99.942%0.42454%0.54SS..Hα-helixtrans-79.5-31.1177-91.3143.2000112.7K750 M751 D756K750-L754 HydrophobicContact CG-CD1 4.36Å; K750-L754 PolarHBondContact O-N 3.4Å; M751-L754 PolarHBondContact O-N 2.8Å; L754-D756 PolarHBondContact O-N 3.28Å
755S45.8Very low44.5Very low66 Ų6698.5 Ų98.546%0.46253%0.534SS..Hα-helixtrans-76.5-16-177.351.80000115.3M751 N752M751-S755 PolarHBondContact O-N 2.85Å; M751-S755 PolarHBondContact O-OG 3.43Å; N752-S755 WeakPolarHBondContact CA-OG 3.25Å; N752-S755 PolarHBondContact O-OG 2.94Å; N752-S755 VanDerWaalsContact O-OG 3.11Å
756D45.7Very low45.1Very low150 Ų150100.1 Ų100.180%0.80254%0.538SS*.THydrogen-bonded Turntrans-88-25.3179-85.9-21000113.8L754L754-D756 PolarHBondContact O-N 3.28Å
757E41.8Very low45.7Very low167 Ų167100.8 Ų100.878%0.7855%0.547SS*.THydrogen-bonded Turntrans-93.1-27.5-172.6-71.2-155.2144.900116.1
758N41.1Very low47Very low113 Ų113105.5 Ų105.560%0.60457%0.566SS**  trans-144.7110.3-177.3-88.2-71.7000114.8
759K46.1Very low47.5Very low194 Ų194109.5 Ų109.584%0.84358%0.577SS**SBendtrans-94.9-1.6174.6-81.6-179175.8169.50115.6
760N44.2Very low47.8Very low145 Ų145108 Ų10878%0.77556%0.563SS**SBendtrans-130.931.5-161.3-76-4.4000115.5
761N40Very low48.2Very low141 Ų141111 Ų11175%0.75458%0.576SS**SBendtrans-140.3161.9173-89.4-42.7000112.8
762D47.8Very low48.6Very low121 Ų121111.8 Ų111.865%0.64758%0.582SS**  trans-65.3139.3-157.9-77.1-58.9000116.6S764 D765D762-S764 PolarHBondContact O-N 3.46Å; D762-D765 PolarHBondContact O-N 3.21Å
763N52.7Low48.7Very low128 Ų128107.7 Ų107.768%0.68456%0.56SS**Hα-helixtrans-56.3-17.3175.7-79.9-47.3000114.2N767N763-N767 WeakPolarHBondContact O-CB 3.39Å; N763-N767 PolarHBondContact O-N 2.87Å; N763-N767 PolarHBondContact O-ND2 3.48Å
764S55.2Low48.5Very low66 Ų66109.4 Ų109.446%0.46256%0.559SS.*Hα-helixtrans-68.3-40.6178.648.70000113D762 K768D762-S764 PolarHBondContact O-N 3.46Å; S764-K768 PolarHBondContact O-N 2.95Å; S764-K768 VanDerWaalsContact O-N 3.11Å
765D51.9Low48.5Very low86 Ų86109.7 Ų109.746%0.4656%0.56SS.*Hα-helixtrans-85.1-34.8-173.5-70.3-23.7000111.5D762 N767 K768 E769D762-D765 PolarHBondContact O-N 3.21Å; D765-N767 PolarHBondContact O-N 2.93Å; D765-K768 WeakPolarHBondContact O-CB 3.26Å; D765-K768 PolarHBondContact O-N 3.4Å; D765-K768 IonicContact OD1-NZ 2.8Å; D765-K768 PolarHBondContact OD1-NZ 2.92Å; D765-E769 PolarHBondContact O-N 3.37Å
766L50.6Low48Very low88 Ų88111.9 Ų111.946%0.46156%0.563SS.*Hα-helixtrans-58.5-37168.7-157.1159.8000111.2L770L766-L770 VanDerWaalsContact O-CB 3.25Å; L766-L770 WeakPolarHBondContact O-CB 3.38Å; L766-L770 PolarHBondContact O-N 3.28Å
767N52.7Low47.6Very low99 Ų99104.9 Ų104.953%0.52953%0.526SS..Hα-helixtrans-72.5-31.6172.8-84.7-72.4000114N763 D765 K771N763-N767 WeakPolarHBondContact O-CB 3.39Å; N763-N767 PolarHBondContact O-N 2.87Å; N763-N767 PolarHBondContact O-ND2 3.48Å; D765-N767 PolarHBondContact O-N 2.93Å; N767-K771 WeakPolarHBondContact O-CB 3.36Å; N767-K771 PolarHBondContact O-N 3.05Å; N767-K771 VanDerWaalsContact O-N 3.08Å
768K61.2Low47.2Very low124 Ų12499.5 Ų99.554%0.53951%0.507SS..Hα-helixtrans-68.6-46.2171.6-76.5179.3-165.5146.70111.5S764 D765 K771 N772S764-K768 PolarHBondContact O-N 2.95Å; S764-K768 VanDerWaalsContact O-N 3.11Å; D765-K768 WeakPolarHBondContact O-CB 3.26Å; D765-K768 PolarHBondContact O-N 3.4Å; D765-K768 IonicContact OD1-NZ 2.8Å; D765-K768 PolarHBondContact OD1-NZ 2.92Å; K768-K771 PolarHBondContact O-N 2.94Å; K768-K771 VanDerWaalsContact O-N 3.16Å; K768-N772 PolarHBondContact O-N 3.22Å
769E52.1Low46.7Very low115 Ų115100.2 Ų100.254%0.53751%0.508SS..Hα-helixtrans-59.1-48.4175-72.3-165139.800110.5D765 K771 N772 L773D765-E769 PolarHBondContact O-N 3.37Å; E769-K771 PolarHBondContact O-N 2.93Å; E769-N772 PolarHBondContact O-N 3.05Å; E769-L773 WeakPolarHBondContact O-CB 3.27Å; E769-L773 PolarHBondContact O-N 3.21Å
770L50.9Low46.1Very low41 Ų4196.7 Ų96.722%0.21550%0.495CS..Hα-helixtrans-61.1-28.4177.6-16571.6000113L747 M751 L766 K774L747-L770 HydrophobicContact CD2-CD1 3.97Å; M751-L770 HydrophobicContact CE-CD1 3.96Å; M751-L770 HydrophobicContact CE-CD2 4.13Å; L766-L770 VanDerWaalsContact O-CB 3.25Å; L766-L770 WeakPolarHBondContact O-CB 3.38Å; L766-L770 PolarHBondContact O-N 3.28Å; L770-K774 WeakPolarHBondContact O-CB 3.32Å; L770-K774 WeakPolarHBondContact O-CG 3.47Å; L770-K774 PolarHBondContact O-N 3.22Å
771K53.4Low45.8Very low132 Ų13291.5 Ų91.557%0.57447%0.465SS*.Hα-helixtrans-76.1-53.8173.2-171.1-176.9175.4-171.30111.7N767 K768 E769 L773 K774 D775N767-K771 WeakPolarHBondContact O-CB 3.36Å; N767-K771 PolarHBondContact O-N 3.05Å; N767-K771 VanDerWaalsContact O-N 3.08Å; K768-K771 PolarHBondContact O-N 2.94Å; K768-K771 VanDerWaalsContact O-N 3.16Å; E769-K771 PolarHBondContact O-N 2.93Å; K771-L773 PolarHBondContact O-N 3.42Å; K771-K774 WeakPolarHBondContact O-CA 3.41Å; K771-K774 WeakPolarHBondContact O-CB 3.43Å; K771-K774 PolarHBondContact O-N 3.17Å; K771-D775 PolarHBondContact O-N 3.26Å
772N51Low45.7Very low108 Ų10888.4 Ų88.458%0.57846%0.455SS*.Hα-helixtrans-54.5-42176.9-71.1-0.2000110.9K768 E769 D775 E776K768-N772 PolarHBondContact O-N 3.22Å; E769-N772 PolarHBondContact O-N 3.05Å; N772-D775 PolarHBondContact O-N 2.94Å; N772-E776 VanDerWaalsContact O-CB 3.27Å; N772-E776 WeakPolarHBondContact O-CB 3.39Å; N772-E776 PolarHBondContact O-N 2.96Å
773L44.5Very low45.5Very low23 Ų2386.6 Ų86.612%0.1245%0.451CS..Hα-helixtrans-66.2-37.4177.2-159.1100.7000112L747 K750 E769 K771 D775 I777L747-L773 HydrophobicContact CD2-CD2 3.62Å; K750-L773 HydrophobicContact CD-CD1 3.91Å; K750-L773 HydrophobicContact CD-CD2 4.14Å; E769-L773 WeakPolarHBondContact O-CB 3.27Å; E769-L773 PolarHBondContact O-N 3.21Å; K771-L773 PolarHBondContact O-N 3.42Å; L773-D775 VanDerWaalsContact C-N 3.34Å; L773-I777 HydrophobicContact CD2-CD1 3.81Å; L773-I777 HydrophobicContact CG-CD1 4.06Å; L773-I777 WeakPolarHBondContact O-CB 3.16Å; L773-I777 VanDerWaalsContact O-CD1 3.26Å; L773-I777 WeakPolarHBondContact O-CD1 3.09Å; L773-I777 WeakPolarHBondContact O-CG1 3.44Å; L773-I777 PolarHBondContact O-N 3.2Å
774K44.5Very low45.9Very low110 Ų11081.1 Ų81.148%0.47842%0.423SS..Hα-helixtrans-64.6-37.8171.9-87.8176.7175.51770112.6L770 K771 S778L770-K774 WeakPolarHBondContact O-CB 3.32Å; L770-K774 WeakPolarHBondContact O-CG 3.47Å; L770-K774 PolarHBondContact O-N 3.22Å; K771-K774 WeakPolarHBondContact O-CA 3.41Å; K771-K774 WeakPolarHBondContact O-CB 3.43Å; K771-K774 PolarHBondContact O-N 3.17Å; K774-S778 VanDerWaalsContact O-CB 3.32Å; K774-S778 WeakPolarHBondContact O-CB 3.34Å; K774-S778 PolarHBondContact O-N 2.96Å; K774-S778 PolarHBondContact O-OG 3.49Å
775D44.4Very low46.7Very low86 Ų8679.5 Ų79.546%0.4641%0.411SS..Hα-helixtrans-73.2-41-179.8-62.7-22.9000110.2K771 N772 L773 S778 M779K771-D775 PolarHBondContact O-N 3.26Å; N772-D775 PolarHBondContact O-N 2.94Å; L773-D775 VanDerWaalsContact C-N 3.34Å; D775-S778 PolarHBondContact O-N 3.48Å; D775-M779 PolarHBondContact O-N 3.16Å
776E37.3Very low48.2Very low112 Ų11275.4 Ų75.452%0.52339%0.389SS..Hα-helixtrans-63.3-46172.5-173.4176-111.400112.5N772 S778 M779 E780N772-E776 VanDerWaalsContact O-CB 3.27Å; N772-E776 WeakPolarHBondContact O-CB 3.39Å; N772-E776 PolarHBondContact O-N 2.96Å; E776-S778 VanDerWaalsContact C-N 3.27Å; E776-S778 PolarHBondContact O-N 3.37Å; E776-M779 WeakPolarHBondContact O-CB 3.18Å; E776-M779 PolarHBondContact O-N 3.42Å; E776-E780 PolarHBondContact O-N 3.04Å
777I35.3Very low49.8Very low3 Ų371.5 Ų71.52%0.01537%0.368CS..Hα-helixtrans-57.9-40.7171.4-75.3165.5000110.9K743 Y746 L747 L773 M779 E780 H781K743-I777 HydrophobicContact CG-CG2 4.32Å; Y746-I777 HydrophobicContact CD1-CD1 3.53Å; Y746-I777 HydrophobicContact CD1-CG1 3.67Å; Y746-I777 HydrophobicContact CE1-CD1 3.77Å; Y746-I777 HydrophobicContact CE1-CG1 3.65Å; L747-I777 HydrophobicContact CD2-CD1 3.96Å; L747-I777 HydrophobicContact CG-CD1 3.99Å; L773-I777 HydrophobicContact CD2-CD1 3.81Å; L773-I777 HydrophobicContact CG-CD1 4.06Å; L773-I777 WeakPolarHBondContact O-CB 3.16Å; L773-I777 VanDerWaalsContact O-CD1 3.26Å; L773-I777 WeakPolarHBondContact O-CD1 3.09Å; L773-I777 WeakPolarHBondContact O-CG1 3.44Å; L773-I777 PolarHBondContact O-N 3.2Å; I777-M779 VanDerWaalsContact C-N 3.34Å; I777-E780 PolarHBondContact O-N 2.89Å; I777-H781 VanDerWaalsContact O-CB 3.29Å; I777-H781 WeakPolarHBondContact O-CB 3.48Å; I777-H781 PolarHBondContact O-N 3Å; I777-H781 PolarHBondContact O-ND1 3.49Å
778S34.2Very low51.5Low55 Ų5566.8 Ų66.839%0.38534%0.343SS..Hα-helixtrans-70-31.9-179.6-60.90000112.2K774 D775 E776 S782K774-S778 VanDerWaalsContact O-CB 3.32Å; K774-S778 WeakPolarHBondContact O-CB 3.34Å; K774-S778 PolarHBondContact O-N 2.96Å; K774-S778 PolarHBondContact O-OG 3.49Å; D775-S778 PolarHBondContact O-N 3.48Å; E776-S778 VanDerWaalsContact C-N 3.27Å; E776-S778 PolarHBondContact O-N 3.37Å; S778-S782 PolarHBondContact O-N 3.09Å
779M31.4Very low52.7Low127 Ų12760.9 Ų60.963%0.62632%0.318SS*.Hα-helixtrans-63.7-57.6168.2-78.1-68.9-62.100111.5D775 E776 I777 H781 S782 C783D775-M779 PolarHBondContact O-N 3.16Å; E776-M779 WeakPolarHBondContact O-CB 3.18Å; E776-M779 PolarHBondContact O-N 3.42Å; I777-M779 VanDerWaalsContact C-N 3.34Å; M779-H781 PolarHBondContact O-N 3.01Å; M779-S782 PolarHBondContact O-N 3.04Å; M779-S782 PolarHBondContact O-OG 3.39Å; M779-C783 PolarHBondContact O-SG 3.29Å
780E33.7Very low54.2Low121 Ų12155.7 Ų55.757%0.56529%0.294SS*.Hα-helixtrans-54.8-40.6-179.7-74.7-166.4131.500112.5E776 I777 S782 C783E776-E780 PolarHBondContact O-N 3.04Å; I777-E780 PolarHBondContact O-N 2.89Å; E780-S782 PolarHBondContact O-N 2.89Å; E780-C783 PolarHBondContact O-N 3.39Å
781H37.3Very low55.4Low35 Ų3556 Ų5616%0.16230%0.295CS..Hα-helixtrans-67.2-18.2-179.6-74.424.9000114.1R701 S742 I777 M779R701-H781 PolarHBondContact NH1-CD2 3.03Å; R701-H781 VanDerWaalsContact NH1-CD2 3.31Å; R701-H781 PolarHBondContact NH1-NE2 3.21Å; S742-H781 PolarHBondContact OG-NE2 2.87Å; I777-H781 VanDerWaalsContact O-CB 3.29Å; I777-H781 WeakPolarHBondContact O-CB 3.48Å; I777-H781 PolarHBondContact O-N 3Å; I777-H781 PolarHBondContact O-ND1 3.49Å; M779-H781 PolarHBondContact O-N 3.01Å
782S37.2Very low56.3Low76 Ų7652.6 Ų52.653%0.53130%0.298SS..Hα-helixtrans-86.9-17.5176.173.90000113.7S778 M779 E780S778-S782 PolarHBondContact O-N 3.09Å; M779-S782 PolarHBondContact O-N 3.04Å; M779-S782 PolarHBondContact O-OG 3.39Å; E780-S782 PolarHBondContact O-N 2.89Å
783C44Very low57.7Low83 Ų8347.9 Ų47.956%0.56127%0.273SS*.  trans-107.77.8-163.8-640000115.8M779 E780 P785M779-C783 PolarHBondContact O-SG 3.29Å; E780-C783 PolarHBondContact O-N 3.39Å; C783-P785 WeakPolarHBondContact O-CD 3.34Å
784S60.9Low59.6Low14 Ų1449.7 Ų49.710%0.09829%0.287CS..  trans-80.1104.4178-65.10000111.3
785P71.7Confident61.5Low32 Ų3248.4 Ų48.421%0.20828%0.282CS..  trans-80.8136-171.233.5-32.4000111.5L120 L136 P703 G704 L705 C783L120-P785 HydrophobicContact CD1-CB 4.07Å; L120-P785 HydrophobicContact CG-CB 4.47Å; L136-P785 HydrophobicContact CD1-CG 4.37Å; P703-P785 VanDerWaalsContact O-CD 3.26Å; P703-P785 WeakPolarHBondContact O-CD 3.34Å; G704-P785 CarbonylContact C-O 3.43Å; G704-P785 WeakPolarHBondContact CA-O 3.4Å; L705-P785 PolarHBondContact N-O 2.9Å; C783-P785 WeakPolarHBondContact O-CD 3.34Å
786L83.4Confident63.6Low0 Ų044.4 Ų44.40%026%0.26CS..EExtended strand (participates in β ladder)trans-79.8141.9158.5-53.1-177.4000108.4P117 C118 L119 L120 L705 L707 W730 A733 Y737P117-L786 HydrophobicContact CG-CD1 3.81Å; P117-L786 HydrophobicContact CG-CG 4.26Å; C118-L786 PolarHBondContact O-N 3.39Å; L119-L786 WeakPolarHBondContact CA-O 3.2Å; L119-L786 HydrophobicContact CB-CB 4.39Å; L119-L786 HydrophobicContact CD1-CB 3.74Å; L120-L786 PolarHBondContact N-O 2.86Å; L705-L786 HydrophobicContact CB-CD2 3.86Å; L705-L786 HydrophobicContact CD1-CD2 3.9Å; L705-L786 HydrophobicContact CG-CD2 4.32Å; L705-L786 CarbonylContact O-C 3.56Å; L705-L786 WeakPolarHBondContact O-CA 3.37Å; L707-L786 HydrophobicContact CD1-CB 4.24Å; L707-L786 HydrophobicContact CD1-CD1 4.37Å; L707-L786 HydrophobicContact CD2-CB 4.47Å; L707-L786 HydrophobicContact CD2-CD2 4.28Å; L707-L786 HydrophobicContact CG-CB 4.35Å; W730-L786 HydrophobicContact CB-CD1 4.49Å; W730-L786 HydrophobicContact CG-CD1 4.34Å; A733-L786 HydrophobicContact CB-CD1 3.64Å; A733-L786 HydrophobicContact CB-CD2 3.84Å; A733-L786 HydrophobicContact CB-CG 4.29Å; Y737-L786 HydrophobicContact CE2-CD2 3.95Å
787V85.2Confident66Low5 Ų546.4 Ų46.43%0.0327%0.267CS..EExtended strand (participates in β ladder)trans-131.3116.9178.7-169.30000109.3L120 M130 L136 L705 I706 L707L120-V787 HydrophobicContact CB-CG1 4.5Å; L120-V787 HydrophobicContact CB-CG2 4.46Å; L120-V787 HydrophobicContact CD1-CG2 4.49Å; L120-V787 CarbonylContact O-C 3.6Å; L120-V787 WeakPolarHBondContact O-CA 3.45Å; M130-V787 HydrophobicContact CE-CG1 3.73Å; M130-V787 HydrophobicContact CG-CB 4.42Å; M130-V787 HydrophobicContact CG-CG1 3.82Å; M130-V787 HydrophobicContact SD-CG1 3.98Å; L136-V787 HydrophobicContact CD1-CG2 3.91Å; L705-V787 PolarHBondContact O-N 3Å; I706-V787 CarbonylContact C-O 3.5Å; I706-V787 WeakPolarHBondContact CA-O 3.27Å; I706-V787 HydrophobicContact CG1-CB 4.36Å; L707-V787 PolarHBondContact N-O 3.05Å
788C88.6Confident68.7Low0 Ų049.8 Ų49.80%028%0.283CS..EExtended strand (participates in β ladder)trans-99.2110170.8-172.60000109.4L119 L120 V121 D122 I726 L799L119-C788 HydrophobicContact CD1-CB 4.17Å; L120-C788 PolarHBondContact O-N 3.42Å; V121-C788 WeakPolarHBondContact CA-O 3.41Å; D122-C788 PolarHBondContact N-O 2.94Å; I726-C788 WeakPolarHBondContact CD1-SG 3.27Å; C788-L799 HydrophobicContact CB-CD2 3.84Å
789C86Confident71.5Confident1 Ų147.1 Ų47.11%0.00727%0.265CS..EExtended strand (participates in β ladder)trans-86.3109.4168.3-58.40000107.1D122 M130 C709 N791D122-C789 CarbonylContact O-C 3.58Å; D122-C789 WeakPolarHBondContact O-CA 3.28Å; M130-C789 WeakPolarHBondContact CB-SG 3.5Å; C709-C789 PolarHBondContact SG-O 3.16Å; C789-N791 PolarHBondContact O-N 3.49Å; C789-N791 PolarHBondContact O-ND2 3.4Å; C789-N791 VanDerWaalsContact O-ND2 3.16Å
790T82.8Confident74.3Confident5 Ų545 Ų453%0.03125%0.253CS..  trans-70.6-14.1-17260.10000113.4V121 D122 N123 G792 N793 L796 L799V121-T790 HydrophobicContact CG1-CG2 3.68Å; D122-T790 PolarHBondContact O-N 3.16Å; D122-T790 PolarHBondContact O-OG1 3.32Å; N123-T790 WeakPolarHBondContact OD1-CB 3.38Å; N123-T790 WeakPolarHBondContact OD1-CG2 3.27Å; N123-T790 PolarHBondContact OD1-OG1 2.73Å; T790-G792 PolarHBondContact O-N 2.91Å; T790-N793 WeakPolarHBondContact O-CB 3.48Å; T790-N793 PolarHBondContact O-N 3.3Å; T790-L796 HydrophobicContact CG2-CB 3.9Å; T790-L796 HydrophobicContact CG2-CD1 4.42Å; T790-L799 HydrophobicContact CG2-CD2 4.33Å
791N76.1Confident77.1Confident47 Ų4741.8 Ų41.825%0.25124%0.242SC..THydrogen-bonded Turntrans51.826.6-179.5-63.5-59.8000113.6T126 S127 C709 L711 C789 N793T126-N791 VanDerWaalsContact CA-OD1 3.23Å; T126-N791 WeakPolarHBondContact CA-OD1 3.3Å; S127-N791 PolarHBondContact N-OD1 3.44Å; C709-N791 PolarHBondContact SG-ND2 2.86Å; L711-N791 HydrophobicContact CD2-CB 3.61Å; C789-N791 PolarHBondContact O-N 3.49Å; C789-N791 PolarHBondContact O-ND2 3.4Å; C789-N791 VanDerWaalsContact O-ND2 3.16Å; N791-N793 VanDerWaalsContact C-N 3.31Å; N791-N793 PolarHBondContact O-N 2.91Å
792G73.9Confident79.7Confident61 Ų6140.1 Ų40.163%0.62923%0.234SC*.THydrogen-bonded Turntrans80.4-1.1-177.300000115.9T790 S794T790-G792 PolarHBondContact O-N 2.91Å; G792-S794 PolarHBondContact O-N 2.67Å
793N80.4Confident82.3Confident9 Ų936.6 Ų36.65%0.04821%0.21CC..  trans-55.6115.9-175.9-176.2-32.7000111.8C709 G710 E712 T790 N791 K795 L796C709-N793 PolarHBondContact O-ND2 3.13Å; G710-N793 PolarHBondContact O-ND2 2.9Å; G710-N793 VanDerWaalsContact O-ND2 3.13Å; E712-N793 WeakPolarHBondContact OE2-CA 3.46Å; T790-N793 WeakPolarHBondContact O-CB 3.48Å; T790-N793 PolarHBondContact O-N 3.3Å; N791-N793 VanDerWaalsContact C-N 3.31Å; N791-N793 PolarHBondContact O-N 2.91Å; N793-K795 PolarHBondContact O-N 3.31Å; N793-K795 VanDerWaalsContact O-N 3.15Å; N793-K795 PolarHBondContact OD1-N 2.91Å; N793-L796 HydrophobicContact CB-CD1 4.07Å; N793-L796 HydrophobicContact CB-CG 4.25Å; N793-L796 PolarHBondContact O-N 3.41Å
794S83Confident84.5Confident61 Ų6135.3 Ų35.343%0.42720%0.201SC..G310 helixtrans-58.7-33.1-169.475.30000113.5E712 G792 L796E712-S794 WeakPolarHBondContact OE1-CB 3.36Å; E712-S794 PolarHBondContact OE1-OG 3.11Å; E712-S794 PolarHBondContact OE2-N 2.92Å; G792-S794 PolarHBondContact O-N 2.67Å; S794-L796 PolarHBondContact O-N 3.03Å
795K85.8Confident85.9Confident84 Ų8436 Ų3637%0.36520%0.204SC..G310 helixtrans-68.3-14.7179.2-63.2-179.7177.4-179.80113.5P722 Q723 N793P722-K795 HydrophobicContact CG-CB 4Å; P722-K795 HydrophobicContact CG-CD 3.66Å; P722-K795 HydrophobicContact CG-CG 4.45Å; Q723-K795 HydrophobicContact CG-CB 4.4Å; Q723-K795 WeakPolarHBondContact CG-O 3.28Å; Q723-K795 PolarHBondContact NE2-O 3.23Å; N793-K795 PolarHBondContact O-N 3.31Å; N793-K795 VanDerWaalsContact O-N 3.15Å; N793-K795 PolarHBondContact OD1-N 2.91Å
796L87.9Confident86.8Confident1 Ų134.5 Ų34.51%0.00519%0.194CC..G310 helixtrans-105.44.4-173.8-58.1-177.3000114.3C709 P722 Q723 I726 T790 N793 S794 E798 L799 F865C709-L796 HydrophobicContact CB-CD1 3.64Å; P722-L796 HydrophobicContact CB-CD1 4.44Å; P722-L796 HydrophobicContact CB-CD2 4.17Å; P722-L796 HydrophobicContact CB-CG 4.47Å; Q723-L796 HydrophobicContact CG-CD2 4.19Å; I726-L796 HydrophobicContact CD1-CD1 3.47Å; I726-L796 VanDerWaalsContact CD1-CD1 3.47Å; I726-L796 HydrophobicContact CD1-CD2 3.63Å; I726-L796 HydrophobicContact CD1-CG 4.19Å; T790-L796 HydrophobicContact CG2-CB 3.9Å; T790-L796 HydrophobicContact CG2-CD1 4.42Å; N793-L796 HydrophobicContact CB-CD1 4.07Å; N793-L796 HydrophobicContact CB-CG 4.25Å; N793-L796 PolarHBondContact O-N 3.41Å; S794-L796 PolarHBondContact O-N 3.03Å; L796-E798 VanDerWaalsContact C-N 3.25Å; L796-E798 PolarHBondContact O-N 3.08Å; L796-L799 WeakPolarHBondContact O-CB 3.5Å; L796-L799 PolarHBondContact O-N 3.31Å; L796-F865 HydrophobicContact CD2-CE2 3.8Å; L796-F865 HydrophobicContact CD2-CZ 4.1Å
797K88.4Confident87Confident154 Ų15438.7 Ų38.767%0.6721%0.21SC*.THydrogen-bonded Turntrans-48.5-46.4176.2-81-178.7171.51800113.1L799K797-L799 VanDerWaalsContact C-N 3.29Å; K797-L799 PolarHBondContact O-N 3.2Å
798E91.1Very high87.1Confident74 Ų7444.6 Ų44.635%0.34624%0.236SC..THydrogen-bonded Turntrans-82.74.1-177.4-63.5-49.4134.700114.8L796 Q800 T801 V802 F865 I869L796-E798 VanDerWaalsContact C-N 3.25Å; L796-E798 PolarHBondContact O-N 3.08Å; E798-Q800 VanDerWaalsContact C-N 3.32Å; E798-Q800 PolarHBondContact O-N 2.87Å; E798-T801 WeakPolarHBondContact O-CA 3.08Å; E798-T801 VanDerWaalsContact O-CB 3.32Å; E798-T801 WeakPolarHBondContact O-CB 3.38Å; E798-T801 PolarHBondContact O-N 3.12Å; E798-T801 VanDerWaalsContact O-N 3.07Å; E798-T801 VanDerWaalsContact OE2-CB 3.28Å; E798-T801 WeakPolarHBondContact OE2-CB 3.4Å; E798-T801 PolarHBondContact OE2-OG1 3.14Å; E798-V802 WeakPolarHBondContact O-CG2 3.39Å; E798-V802 PolarHBondContact O-N 3.4Å; E798-F865 HydrophobicContact CB-CB 4.19Å; E798-F865 HydrophobicContact CB-CD2 4.28Å; E798-I869 HydrophobicContact CB-CD1 3.92Å; E798-I869 HydrophobicContact CG-CD1 4.17Å
799L92.7Very high87.1Confident0 Ų046.8 Ų46.80%025%0.254CS..Hα-helixtrans-58.8-43.6-179.4179.961.5000111.7V121 I726 C788 T790 L796 K797 T801 V802 V803 F865V121-L799 HydrophobicContact CG1-CB 4.49Å; V121-L799 HydrophobicContact CG1-CD2 3.96Å; V121-L799 HydrophobicContact CG1-CG 4.34Å; V121-L799 HydrophobicContact CG2-CD2 3.89Å; V121-L799 HydrophobicContact CG2-CG 3.78Å; I726-L799 HydrophobicContact CD1-CD2 4.16Å; I726-L799 HydrophobicContact CG2-CD1 3.9Å; I726-L799 HydrophobicContact CG2-CD2 4.18Å; C788-L799 HydrophobicContact CB-CD2 3.84Å; T790-L799 HydrophobicContact CG2-CD2 4.33Å; L796-L799 WeakPolarHBondContact O-CB 3.5Å; L796-L799 PolarHBondContact O-N 3.31Å; K797-L799 VanDerWaalsContact C-N 3.29Å; K797-L799 PolarHBondContact O-N 3.2Å; L799-T801 VanDerWaalsContact C-N 3.3Å; L799-T801 PolarHBondContact O-N 3.08Å; L799-V802 PolarHBondContact O-N 3.01Å; L799-V803 HydrophobicContact CD1-CG2 4Å; L799-V803 HydrophobicContact CG-CG2 4.33Å; L799-V803 WeakPolarHBondContact O-CB 3.38Å; L799-V803 VanDerWaalsContact O-CG2 3.23Å; L799-V803 WeakPolarHBondContact O-CG2 3.48Å; L799-V803 PolarHBondContact O-N 3.11Å; L799-F865 HydrophobicContact CB-CE2 3.81Å; L799-F865 HydrophobicContact CB-CZ 4.34Å; L799-F865 HydrophobicContact CD1-CE1 4.48Å; L799-F865 HydrophobicContact CD1-CE2 4.04Å; L799-F865 HydrophobicContact CD1-CZ 3.67Å; L799-F865 HydrophobicContact CG-CE2 4.49Å
800Q91.1Very high87.1Confident83 Ų8351 Ų5139%0.38828%0.283SS..Hα-helixtrans-64.5-35.7177.2-177.25944.900111.7V121 E798 S804V121-Q800 HydrophobicContact CB-CB 4.45Å; V121-Q800 HydrophobicContact CG2-CB 4.43Å; E798-Q800 VanDerWaalsContact C-N 3.32Å; E798-Q800 PolarHBondContact O-N 2.87Å; Q800-S804 PolarHBondContact NE2-OG 3.39Å; Q800-S804 VanDerWaalsContact NE2-OG 3.1Å; Q800-S804 VanDerWaalsContact O-CB 3.28Å; Q800-S804 WeakPolarHBondContact O-CB 3.46Å; Q800-S804 PolarHBondContact O-N 3.19Å; Q800-S804 PolarHBondContact O-OG 2.86Å
801T92Very high87.4Confident53 Ų5353.1 Ų53.133%0.32529%0.291SS..Hα-helixtrans-63.4-51.8175.1-46.70000110.6E798 L799 S804 L805 I869E798-T801 WeakPolarHBondContact O-CA 3.08Å; E798-T801 VanDerWaalsContact O-CB 3.32Å; E798-T801 WeakPolarHBondContact O-CB 3.38Å; E798-T801 PolarHBondContact O-N 3.12Å; E798-T801 VanDerWaalsContact O-N 3.07Å; E798-T801 VanDerWaalsContact OE2-CB 3.28Å; E798-T801 WeakPolarHBondContact OE2-CB 3.4Å; E798-T801 PolarHBondContact OE2-OG1 3.14Å; L799-T801 VanDerWaalsContact C-N 3.3Å; L799-T801 PolarHBondContact O-N 3.08Å; T801-S804 PolarHBondContact O-N 3.09Å; T801-L805 HydrophobicContact CG2-CD1 4.23Å; T801-L805 WeakPolarHBondContact O-CG 3.22Å; T801-L805 PolarHBondContact O-N 3.3Å; T801-I869 HydrophobicContact CG2-CD1 3.85Å; T801-I869 HydrophobicContact CG2-CG1 4.21Å
802V92.6Very high88Confident0 Ų052 Ų520%029%0.286CS..Hα-helixtrans-59-50.6177.6172.70000111.1E798 L799 S804 L805 V806 F865 L868 I869E798-V802 WeakPolarHBondContact O-CG2 3.39Å; E798-V802 PolarHBondContact O-N 3.4Å; L799-V802 PolarHBondContact O-N 3.01Å; V802-S804 VanDerWaalsContact C-N 3.31Å; V802-S804 PolarHBondContact O-N 3.29Å; V802-L805 PolarHBondContact O-N 2.92Å; V802-V806 HydrophobicContact CG1-CG2 4.14Å; V802-V806 WeakPolarHBondContact O-CB 3.41Å; V802-V806 VanDerWaalsContact O-CG2 3.27Å; V802-V806 WeakPolarHBondContact O-CG2 3.17Å; V802-V806 PolarHBondContact O-N 2.99Å; V802-F865 HydrophobicContact CG2-CB 3.76Å; V802-F865 HydrophobicContact CG2-CD1 4.04Å; V802-F865 HydrophobicContact CG2-CD2 4.46Å; V802-F865 HydrophobicContact CG2-CG 3.84Å; V802-L868 HydrophobicContact CG1-CB 4.47Å; V802-L868 HydrophobicContact CG1-CD1 4.09Å; V802-L868 HydrophobicContact CG2-CB 4.47Å; V802-I869 HydrophobicContact CG2-CD1 4.12Å; V802-I869 HydrophobicContact CG2-CG1 3.94Å
803V90.2Very high88.7Confident2 Ų249.1 Ų49.11%0.01226%0.256CS..Hα-helixtrans-58.5-43.9179.4169.80000111.2L119 V121 W730 L799 L805 V806 Y807L119-V803 HydrophobicContact CD2-CG2 3.76Å; L119-V803 HydrophobicContact CG-CG2 4.19Å; V121-V803 HydrophobicContact CG2-CG2 4.45Å; W730-V803 HydrophobicContact CH2-CB 4.28Å; W730-V803 HydrophobicContact CH2-CG1 4.18Å; W730-V803 HydrophobicContact CH2-CG2 3.94Å; W730-V803 HydrophobicContact CZ3-CG2 3.92Å; L799-V803 HydrophobicContact CD1-CG2 4Å; L799-V803 HydrophobicContact CG-CG2 4.33Å; L799-V803 WeakPolarHBondContact O-CB 3.38Å; L799-V803 VanDerWaalsContact O-CG2 3.23Å; L799-V803 WeakPolarHBondContact O-CG2 3.48Å; L799-V803 PolarHBondContact O-N 3.11Å; V803-L805 PolarHBondContact O-N 3.23Å; V803-V806 PolarHBondContact O-N 3.14Å; V803-Y807 HydrophobicContact CG1-CD2 3.82Å; V803-Y807 HydrophobicContact CG1-CE2 3.4Å; V803-Y807 VanDerWaalsContact O-CD2 3.23Å; V803-Y807 WeakPolarHBondContact O-CD2 3.42Å; V803-Y807 PolarHBondContact O-N 2.85Å; V803-Y807 VanDerWaalsContact O-N 3.1Å
804S90Very high89.2Confident56 Ų5651.6 Ų51.639%0.39227%0.266SS..Hα-helixtrans-64-40.8178.1-55.90000112.2Q800 T801 V802 K808Q800-S804 PolarHBondContact NE2-OG 3.39Å; Q800-S804 VanDerWaalsContact NE2-OG 3.1Å; Q800-S804 VanDerWaalsContact O-CB 3.28Å; Q800-S804 WeakPolarHBondContact O-CB 3.46Å; Q800-S804 PolarHBondContact O-N 3.19Å; Q800-S804 PolarHBondContact O-OG 2.86Å; T801-S804 PolarHBondContact O-N 3.09Å; V802-S804 VanDerWaalsContact C-N 3.31Å; V802-S804 PolarHBondContact O-N 3.29Å; S804-K808 VanDerWaalsContact O-CB 3.28Å; S804-K808 WeakPolarHBondContact O-CB 3.34Å; S804-K808 PolarHBondContact O-N 3.5Å
805L91.2Very high89.6Confident27 Ų2751.4 Ų51.414%0.14126%0.26CS..Hα-helixtrans-69.9-41.5177.4-71.5171.2000112.3T801 V802 V803 Y807 K808 A809 I869 L872T801-L805 HydrophobicContact CG2-CD1 4.23Å; T801-L805 WeakPolarHBondContact O-CG 3.22Å; T801-L805 PolarHBondContact O-N 3.3Å; V802-L805 PolarHBondContact O-N 2.92Å; V803-L805 PolarHBondContact O-N 3.23Å; L805-Y807 PolarHBondContact O-N 3.32Å; L805-K808 PolarHBondContact O-N 2.8Å; L805-A809 WeakPolarHBondContact O-CB 3.35Å; L805-A809 PolarHBondContact O-N 3.08Å; L805-I869 HydrophobicContact CD1-CB 4.36Å; L805-I869 HydrophobicContact CD1-CG1 3.96Å; L805-I869 HydrophobicContact CD1-CG2 4.26Å; L805-L872 HydrophobicContact CB-CB 4.08Å; L805-L872 HydrophobicContact CB-CD1 3.73Å; L805-L872 HydrophobicContact CB-CD2 4.44Å; L805-L872 HydrophobicContact CB-CG 4.3Å; L805-L872 HydrophobicContact CD1-CB 4.3Å
806V89.9Confident89.8Confident1 Ų147.4 Ų47.41%0.00624%0.243CC..Hα-helixtrans-59.7-44.3177.2166.60000111.1L116 W730 V802 V803 S810 W811 L816 L872L116-V806 HydrophobicContact CD1-CG1 3.52Å; W730-V806 HydrophobicContact CH2-CB 3.97Å; W730-V806 HydrophobicContact CH2-CG1 3.55Å; W730-V806 HydrophobicContact CZ2-CG1 4.32Å; W730-V806 HydrophobicContact CZ3-CB 4.38Å; W730-V806 HydrophobicContact CZ3-CG1 4.03Å; W730-V806 HydrophobicContact CZ3-CG2 4.49Å; V802-V806 HydrophobicContact CG1-CG2 4.14Å; V802-V806 WeakPolarHBondContact O-CB 3.41Å; V802-V806 VanDerWaalsContact O-CG2 3.27Å; V802-V806 WeakPolarHBondContact O-CG2 3.17Å; V802-V806 PolarHBondContact O-N 2.99Å; V803-V806 PolarHBondContact O-N 3.14Å; V806-S810 PolarHBondContact O-N 3.5Å; V806-W811 HydrophobicContact CG1-CB 4.05Å; V806-W811 HydrophobicContact CG2-CE3 4.08Å; V806-W811 PolarHBondContact O-N 2.72Å; V806-W811 VanDerWaalsContact O-N 3.17Å; V806-L816 HydrophobicContact CG2-CD1 4.43Å; V806-L872 HydrophobicContact CG2-CD1 3.8Å
807Y88.2Confident90Very high88 Ų8847.4 Ų47.435%0.34524%0.243SC..Hα-helixtrans-66.8-42.5172.7-70-47.7000112.7P117 C118 L119 W730 V803 L805 A809 S810P117-Y807 PolarHBondContact O-OH 3.2Å; C118-Y807 VanDerWaalsContact CA-OH 3.24Å; C118-Y807 WeakPolarHBondContact CA-OH 3.42Å; L119-Y807 PolarHBondContact N-OH 2.85Å; W730-Y807 AromaticContact CZ2-CE1 3.94Å; W730-Y807 HydrophobicContact CZ2-CE1 3.94Å; W730-Y807 HydrophobicContact CZ2-CE2 4.31Å; W730-Y807 AromaticContact CZ2-CZ 3.67Å; W730-Y807 WeakPolarHBondContact CZ2-OH 3.5Å; V803-Y807 HydrophobicContact CG1-CD2 3.82Å; V803-Y807 HydrophobicContact CG1-CE2 3.4Å; V803-Y807 VanDerWaalsContact O-CD2 3.23Å; V803-Y807 WeakPolarHBondContact O-CD2 3.42Å; V803-Y807 PolarHBondContact O-N 2.85Å; V803-Y807 VanDerWaalsContact O-N 3.1Å; L805-Y807 PolarHBondContact O-N 3.32Å; Y807-A809 VanDerWaalsContact C-N 3.27Å; Y807-A809 PolarHBondContact O-N 3.5Å; Y807-S810 WeakPolarHBondContact O-CA 3.18Å; Y807-S810 PolarHBondContact O-N 3.18Å
808K88.2Confident90.1Very high130 Ų13042.8 Ų42.857%0.56523%0.225SC*.Hα-helixtrans-60.7-37178.7-163.2-175.5-132.7-157.60112.2S804 L805 S810 V876S804-K808 VanDerWaalsContact O-CB 3.28Å; S804-K808 WeakPolarHBondContact O-CB 3.34Å; S804-K808 PolarHBondContact O-N 3.5Å; L805-K808 PolarHBondContact O-N 2.8Å; K808-S810 VanDerWaalsContact C-N 3.27Å; K808-S810 PolarHBondContact O-N 2.96Å; K808-V876 HydrophobicContact CD-CB 4.48Å; K808-V876 HydrophobicContact CD-CG2 3.61Å; K808-V876 VanDerWaalsContact CE-CG2 3.48Å; K808-V876 HydrophobicContact CG-CG2 3.91Å
809A88.1Confident90.1Very high46 Ų4639.6 Ų39.638%0.3821%0.212SC..THydrogen-bonded Turntrans-81.4-1174.800000113.8L805 Y807 W811 L872L805-A809 WeakPolarHBondContact O-CB 3.35Å; L805-A809 PolarHBondContact O-N 3.08Å; Y807-A809 VanDerWaalsContact C-N 3.27Å; Y807-A809 PolarHBondContact O-N 3.5Å; A809-W811 HydrophobicContact CB-CG 4.26Å; A809-W811 PolarHBondContact O-N 3.24Å; A809-L872 HydrophobicContact CB-CD2 3.56Å
810S86.3Confident90Very high89 Ų8939.7 Ų39.762%0.62221%0.212SC*.THydrogen-bonded Turntrans53.930.2-178.4-58.90000114.6V806 Y807 K808V806-S810 PolarHBondContact O-N 3.5Å; Y807-S810 WeakPolarHBondContact O-CA 3.18Å; Y807-S810 PolarHBondContact O-N 3.18Å; K808-S810 VanDerWaalsContact C-N 3.27Å; K808-S810 PolarHBondContact O-N 2.96Å
811W89Confident89.9Confident50 Ų5036.9 Ų36.919%0.18920%0.2CC..  trans-60.8137.8-177-83.216.2000112.5V806 A809 D815 L816 A819 L868 L872V806-W811 HydrophobicContact CG1-CB 4.05Å; V806-W811 HydrophobicContact CG2-CE3 4.08Å; V806-W811 PolarHBondContact O-N 2.72Å; V806-W811 VanDerWaalsContact O-N 3.17Å; A809-W811 HydrophobicContact CB-CG 4.26Å; A809-W811 PolarHBondContact O-N 3.24Å; W811-D815 HydrophobicContact CB-CB 4.08Å; W811-D815 HydrophobicContact CD2-CB 4.08Å; W811-D815 HydrophobicContact CE3-CB 4.43Å; W811-D815 HydrophobicContact CG-CB 3.93Å; W811-L816 HydrophobicContact CE3-CB 4.38Å; W811-L816 HydrophobicContact CE3-CD1 4.37Å; W811-L816 HydrophobicContact CZ3-CD1 4.31Å; W811-A819 HydrophobicContact CH2-CB 3.78Å; W811-A819 HydrophobicContact CZ3-CB 3.66Å; W811-L868 HydrophobicContact CH2-CD2 4.25Å; W811-L868 HydrophobicContact CZ3-CD2 3.98Å; W811-L872 HydrophobicContact CD2-CD2 3.81Å; W811-L872 HydrophobicContact CE3-CD2 4.21Å; W811-L872 HydrophobicContact CG-CD2 4.43Å; W811-L872 HydrophobicContact CH2-CD1 4.25Å; W811-L872 HydrophobicContact CH2-CD2 3.85Å; W811-L872 HydrophobicContact CH2-CG 3.75Å; W811-L872 HydrophobicContact CZ2-CD2 3.39Å; W811-L872 HydrophobicContact CZ2-CG 3.71Å; W811-L872 HydrophobicContact CZ3-CD1 4.34Å; W811-L872 HydrophobicContact CZ3-CD2 4.23Å; W811-L872 HydrophobicContact CZ3-CG 4.28Å
812T88.4Confident89.8Confident23 Ų2338.4 Ų38.414%0.14121%0.206CC..BIsolated β-bridgetrans-79.3167.9168.268.40000110.8K814 D815 L816T812-K814 PolarHBondContact O-N 3.44Å; T812-K814 WeakPolarHBondContact OG1-CB 3.48Å; T812-K814 PolarHBondContact OG1-N 3.43Å; T812-D815 WeakPolarHBondContact CB-OD2 3.16Å; T812-D815 PolarHBondContact N-OD2 2.89Å; T812-D815 PolarHBondContact O-N 3.26Å; T812-D815 VanDerWaalsContact O-N 3.11Å; T812-D815 VanDerWaalsContact OG1-CG 3.23Å; T812-D815 PolarHBondContact OG1-N 2.86Å; T812-D815 PolarHBondContact OG1-OD2 3.28Å; T812-L816 PolarHBondContact O-N 2.93Å
813A88.2Confident89.7Confident0 Ų038.5 Ų38.50%021%0.206CC..Hα-helixtrans-63.8-23.5173.100000112.9L111 T114 L116 I731 T734 F817L111-A813 HydrophobicContact CB-CB 4.43Å; L111-A813 HydrophobicContact CD2-CB 3.81Å; T114-A813 PolarHBondContact O-N 2.85Å; L116-A813 HydrophobicContact CD2-CB 3.73Å; L116-A813 HydrophobicContact CG-CB 4.11Å; I731-A813 HydrophobicContact CG2-CB 4.49Å; T734-A813 HydrophobicContact CG2-CB 3.81Å; A813-F817 WeakPolarHBondContact O-CB 3.35Å; A813-F817 PolarHBondContact O-N 2.83Å; A813-F817 VanDerWaalsContact O-N 3.12Å
814K90.5Very high89.5Confident61 Ų6140.5 Ų40.527%0.26522%0.215SC..Hα-helixtrans-67.6-41.9170.9173.1-175.7177.6178.80112M108 L111 T812 F817 N818M108-K814 HydrophobicContact CE-CD 4.3Å; M108-K814 HydrophobicContact CE-CG 3.66Å; M108-K814 HydrophobicContact SD-CG 3.91Å; L111-K814 HydrophobicContact CB-CB 3.88Å; L111-K814 PolarHBondContact O-N 3.39Å; T812-K814 PolarHBondContact O-N 3.44Å; T812-K814 WeakPolarHBondContact OG1-CB 3.48Å; T812-K814 PolarHBondContact OG1-N 3.43Å; K814-F817 PolarHBondContact O-N 2.76Å; K814-N818 WeakPolarHBondContact O-CB 3.47Å; K814-N818 PolarHBondContact O-N 2.85Å
815D91.3Very high89.3Confident58 Ų5843.2 Ų43.231%0.3122%0.221SC..Hα-helixtrans-68.3-41.5-178-55-49.7000110.8W811 T812 N818 A819W811-D815 HydrophobicContact CB-CB 4.08Å; W811-D815 HydrophobicContact CD2-CB 4.08Å; W811-D815 HydrophobicContact CE3-CB 4.43Å; W811-D815 HydrophobicContact CG-CB 3.93Å; T812-D815 WeakPolarHBondContact CB-OD2 3.16Å; T812-D815 PolarHBondContact N-OD2 2.89Å; T812-D815 PolarHBondContact O-N 3.26Å; T812-D815 VanDerWaalsContact O-N 3.11Å; T812-D815 VanDerWaalsContact OG1-CG 3.23Å; T812-D815 PolarHBondContact OG1-N 2.86Å; T812-D815 PolarHBondContact OG1-OD2 3.28Å; D815-N818 WeakPolarHBondContact O-CB 3.16Å; D815-N818 PolarHBondContact O-N 3.34Å; D815-A819 WeakPolarHBondContact O-CB 3.38Å; D815-A819 PolarHBondContact O-N 2.97Å
816L91.3Very high89.2Confident0 Ų044.3 Ų44.30%022%0.224CC..Hα-helixtrans-62.6-42.4173.2-175.361.5000112.1L116 L727 W730 I731 V806 W811 T812 A819 I820 L868L116-L816 HydrophobicContact CD1-CB 4.26Å; L116-L816 HydrophobicContact CD1-CD2 3.89Å; L116-L816 HydrophobicContact CD2-CD2 4.03Å; L727-L816 HydrophobicContact CD1-CD1 4.36Å; L727-L816 HydrophobicContact CD2-CD1 4.33Å; L727-L816 HydrophobicContact CD2-CD2 4.27Å; W730-L816 HydrophobicContact CD2-CD2 4.35Å; W730-L816 HydrophobicContact CE3-CD2 3.69Å; W730-L816 HydrophobicContact CZ3-CD2 4.07Å; I731-L816 HydrophobicContact CD1-CD2 4.26Å; I731-L816 HydrophobicContact CD1-CG 4.18Å; I731-L816 HydrophobicContact CG1-CD2 4.01Å; I731-L816 HydrophobicContact CG1-CG 4.38Å; V806-L816 HydrophobicContact CG2-CD1 4.43Å; W811-L816 HydrophobicContact CE3-CB 4.38Å; W811-L816 HydrophobicContact CE3-CD1 4.37Å; W811-L816 HydrophobicContact CZ3-CD1 4.31Å; T812-L816 PolarHBondContact O-N 2.93Å; L816-A819 PolarHBondContact O-N 2.93Å; L816-I820 WeakPolarHBondContact O-CG1 2.9Å; L816-I820 PolarHBondContact O-N 2.8Å; L816-I820 VanDerWaalsContact O-N 3.15Å; L816-L868 HydrophobicContact CD1-CD1 4.45Å; L816-L868 HydrophobicContact CD1-CD2 4.5Å
817F90.9Very high88.8Confident1 Ų146.2 Ų46.20%0.00423%0.231CC..Hα-helixtrans-63.6-43.8175.3-179.9-95.3000112.4L107 M108 L111 L239 V240 I243 I731 A813 K814 A819 I820 L821L107-F817 HydrophobicContact CD2-CE2 4.46Å; L107-F817 HydrophobicContact CD2-CZ 4.43Å; M108-F817 HydrophobicContact CE-CD1 4.45Å; M108-F817 HydrophobicContact CG-CD1 4.36Å; M108-F817 HydrophobicContact CG-CE1 4.18Å; M108-F817 HydrophobicContact SD-CD1 3.31Å; M108-F817 WeakPolarHBondContact SD-CD1 3.14Å; M108-F817 HydrophobicContact SD-CE1 3.71Å; M108-F817 HydrophobicContact SD-CG 4.33Å; L111-F817 HydrophobicContact CD1-CB 4.36Å; L239-F817 HydrophobicContact CB-CE2 3.99Å; V240-F817 HydrophobicContact CG2-CE2 4.44Å; V240-F817 HydrophobicContact CG2-CZ 3.95Å; I243-F817 HydrophobicContact CD1-CD2 3.48Å; I243-F817 VanDerWaalsContact CD1-CD2 3.48Å; I243-F817 HydrophobicContact CD1-CE2 3.53Å; I731-F817 HydrophobicContact CD1-CB 4.08Å; I731-F817 HydrophobicContact CD1-CD2 4.5Å; A813-F817 WeakPolarHBondContact O-CB 3.35Å; A813-F817 PolarHBondContact O-N 2.83Å; A813-F817 VanDerWaalsContact O-N 3.12Å; K814-F817 PolarHBondContact O-N 2.76Å; F817-A819 VanDerWaalsContact C-N 3.31Å; F817-A819 PolarHBondContact O-N 2.93Å; F817-I820 PolarHBondContact O-N 2.82Å; F817-L821 HydrophobicContact CD1-CD1 3.9Å; F817-L821 HydrophobicContact CD1-CG 4.41Å; F817-L821 HydrophobicContact CE1-CD1 3.47Å; F817-L821 VanDerWaalsContact CE1-CD1 3.47Å; F817-L821 HydrophobicContact CE1-CG 4.11Å; F817-L821 HydrophobicContact CZ-CD1 4.15Å; F817-L821 HydrophobicContact CZ-CG 4.44Å; F817-L821 PolarHBondContact O-N 2.82Å
818N90.7Very high88.4Confident56 Ų5643.5 Ų43.530%0.29923%0.225SC..Hα-helixtrans-56.9-43.1172.1-92.6-22.3000112.1M108 K814 D815 I820 L821 N822M108-N818 WeakPolarHBondContact CE-OD1 3.38Å; K814-N818 WeakPolarHBondContact O-CB 3.47Å; K814-N818 PolarHBondContact O-N 2.85Å; D815-N818 WeakPolarHBondContact O-CB 3.16Å; D815-N818 PolarHBondContact O-N 3.34Å; N818-I820 VanDerWaalsContact C-N 3.31Å; N818-I820 PolarHBondContact O-N 2.79Å; N818-L821 PolarHBondContact O-N 3.49Å; N818-N822 WeakPolarHBondContact O-CB 3.43Å; N818-N822 VanDerWaalsContact O-CG 3.23Å; N818-N822 PolarHBondContact O-N 3.4Å; N818-N822 PolarHBondContact O-ND2 2.8Å
819A91.4Very high88Confident8 Ų841.9 Ų41.97%0.06622%0.219CC..Hα-helixtrans-65-34.6179.900000112.5W811 D815 L816 F817 N822 Y823 L868W811-A819 HydrophobicContact CH2-CB 3.78Å; W811-A819 HydrophobicContact CZ3-CB 3.66Å; D815-A819 WeakPolarHBondContact O-CB 3.38Å; D815-A819 PolarHBondContact O-N 2.97Å; L816-A819 PolarHBondContact O-N 2.93Å; F817-A819 VanDerWaalsContact C-N 3.31Å; F817-A819 PolarHBondContact O-N 2.93Å; A819-N822 PolarHBondContact O-N 3.46Å; A819-Y823 PolarHBondContact O-N 2.86Å; A819-L868 HydrophobicContact CB-CD2 3.48Å; A819-L868 VanDerWaalsContact CB-CD2 3.48Å
820I90.8Very high87.5Confident1 Ų142.5 Ų42.51%0.00521%0.214CC..Hα-helixtrans-68.7-40.5173.5-61.6163.1000111.2L239 L724 L727 I731 L816 F817 N818 Y823 F824 L864L239-I820 HydrophobicContact CD1-CG2 3.69Å; L239-I820 HydrophobicContact CD2-CG2 3.94Å; L239-I820 HydrophobicContact CG-CG2 4.5Å; L724-I820 HydrophobicContact CD1-CD1 4.36Å; L724-I820 HydrophobicContact CD1-CG2 3.54Å; L727-I820 HydrophobicContact CB-CD1 3.85Å; L727-I820 HydrophobicContact CD1-CD1 4.04Å; L727-I820 HydrophobicContact CD1-CG1 4.15Å; I731-I820 HydrophobicContact CD1-CD1 3.83Å; L816-I820 WeakPolarHBondContact O-CG1 2.9Å; L816-I820 PolarHBondContact O-N 2.8Å; L816-I820 VanDerWaalsContact O-N 3.15Å; F817-I820 PolarHBondContact O-N 2.82Å; N818-I820 VanDerWaalsContact C-N 3.31Å; N818-I820 PolarHBondContact O-N 2.79Å; I820-Y823 WeakPolarHBondContact O-CB 3.19Å; I820-Y823 PolarHBondContact O-N 2.88Å; I820-F824 PolarHBondContact O-N 2.7Å; I820-F824 VanDerWaalsContact O-N 3.11Å; I820-L864 HydrophobicContact CG1-CD1 4.38Å
821L88.9Confident86.8Confident25 Ų2541.1 Ų41.113%0.13120%0.2CC..Hα-helixtrans-62.3-43.8172.7-72.1176.1000111.8A236 L239 F817 N818 Y823 F824 H825A236-L821 HydrophobicContact CB-CD2 3.62Å; L239-L821 HydrophobicContact CD1-CD2 3.78Å; L239-L821 HydrophobicContact CD1-CG 4.35Å; F817-L821 HydrophobicContact CD1-CD1 3.9Å; F817-L821 HydrophobicContact CD1-CG 4.41Å; F817-L821 HydrophobicContact CE1-CD1 3.47Å; F817-L821 VanDerWaalsContact CE1-CD1 3.47Å; F817-L821 HydrophobicContact CE1-CG 4.11Å; F817-L821 HydrophobicContact CZ-CD1 4.15Å; F817-L821 HydrophobicContact CZ-CG 4.44Å; F817-L821 PolarHBondContact O-N 2.82Å; N818-L821 PolarHBondContact O-N 3.49Å; L821-Y823 VanDerWaalsContact C-N 3.29Å; L821-Y823 PolarHBondContact O-N 3.24Å; L821-F824 WeakPolarHBondContact O-CB 3.38Å; L821-F824 PolarHBondContact O-N 3.36Å; L821-F824 VanDerWaalsContact O-N 3.14Å; L821-H825 PolarHBondContact O-CD2 2.93Å; L821-H825 PolarHBondContact O-N 2.83Å; L821-H825 VanDerWaalsContact O-N 3.11Å
822N90.1Very high85.7Confident85 Ų8544 Ų4446%0.45521%0.214SC..Hα-helixtrans-63-35.9176.8-69.1-18.5000111.8N818 A819 H825 Y826 Y867N818-N822 WeakPolarHBondContact O-CB 3.43Å; N818-N822 VanDerWaalsContact O-CG 3.23Å; N818-N822 PolarHBondContact O-N 3.4Å; N818-N822 PolarHBondContact O-ND2 2.8Å; A819-N822 PolarHBondContact O-N 3.46Å; N822-H825 PolarHBondContact O-N 3.44Å; N822-Y826 WeakPolarHBondContact O-CB 3.16Å; N822-Y826 PolarHBondContact O-N 2.77Å; N822-Y867 WeakPolarHBondContact CB-OH 3.24Å
823Y90.1Very high84.1Confident1 Ų147.9 Ų47.90%0.00423%0.233CC..Hα-helixtrans-61.6-43.2171.6-180-108.2000112.4Y234 A819 I820 L821 H825 Y826 R827 L862 L864 Y867Y234-Y823 HydrophobicContact CD1-CD1 4.07Å; Y234-Y823 HydrophobicContact CD1-CE1 4.14Å; Y234-Y823 HydrophobicContact CE1-CD1 4.2Å; Y234-Y823 AromaticContact CE1-CE1 3.84Å; Y234-Y823 HydrophobicContact CE1-CE1 3.84Å; A819-Y823 PolarHBondContact O-N 2.86Å; I820-Y823 WeakPolarHBondContact O-CB 3.19Å; I820-Y823 PolarHBondContact O-N 2.88Å; L821-Y823 VanDerWaalsContact C-N 3.29Å; L821-Y823 PolarHBondContact O-N 3.24Å; Y823-H825 VanDerWaalsContact C-N 3.33Å; Y823-H825 PolarHBondContact O-N 2.73Å; Y823-Y826 AromaticContact CD2-CD1 3.88Å; Y823-Y826 HydrophobicContact CD2-CD1 3.88Å; Y823-Y826 HydrophobicContact CD2-CE1 4.41Å; Y823-Y826 HydrophobicContact CE2-CD1 4.01Å; Y823-Y826 HydrophobicContact CE2-CE1 4.13Å; Y823-Y826 PolarHBondContact O-N 3.46Å; Y823-R827 VanDerWaalsContact O-CB 3.23Å; Y823-R827 WeakPolarHBondContact O-CB 3.18Å; Y823-R827 PolarHBondContact O-N 2.96Å; Y823-R827 PolarHBondContact OH-NH1 2.78Å; Y823-L862 WeakPolarHBondContact CE2-O 3.45Å; Y823-L862 PolarHBondContact OH-O 3.41Å; Y823-L864 HydrophobicContact CD1-CB 4.15Å; Y823-L864 HydrophobicContact CD1-CD1 3.68Å; Y823-L864 HydrophobicContact CD1-CG 4.39Å; Y823-L864 HydrophobicContact CD2-CD1 4.26Å; Y823-L864 HydrophobicContact CE1-CB 3.92Å; Y823-L864 HydrophobicContact CE1-CD1 4.34Å; Y823-L864 HydrophobicContact CG-CD1 3.62Å; Y823-Y867 AromaticContact CD2-CD1 3.68Å; Y823-Y867 HydrophobicContact CD2-CD1 3.68Å; Y823-Y867 HydrophobicContact CD2-CD2 4.06Å; Y823-Y867 HydrophobicContact CD2-CE1 4.33Å; Y823-Y867 AromaticContact CD2-CG 3.52Å; Y823-Y867 HydrophobicContact CD2-CG 3.52Å; Y823-Y867 HydrophobicContact CE2-CG 4.25Å; Y823-Y867 HydrophobicContact CG-CD1 4.17Å; Y823-Y867 HydrophobicContact CG-CG 4.44Å
824F86.9Confident82.4Confident45 Ų4551.2 Ų51.220%0.19726%0.256CS..Hα-helixtrans-60-42.3175.7177.7-124.9000112.1Y234 I820 L821 S828Y234-F824 WeakPolarHBondContact O-CB 3.37Å; Y234-F824 WeakPolarHBondContact O-CG 3.3Å; I820-F824 PolarHBondContact O-N 2.7Å; I820-F824 VanDerWaalsContact O-N 3.11Å; L821-F824 WeakPolarHBondContact O-CB 3.38Å; L821-F824 PolarHBondContact O-N 3.36Å; L821-F824 VanDerWaalsContact O-N 3.14Å; F824-S828 VanDerWaalsContact O-CB 3.26Å; F824-S828 WeakPolarHBondContact O-CB 3.36Å; F824-S828 PolarHBondContact O-N 2.74Å; F824-S828 PolarHBondContact O-OG 3.08Å
825H85.2Confident80.1Confident113 Ų11351.9 Ų51.952%0.52327%0.268SS..Hα-helixtrans-64.9-48.2175.3-69.5-63000112.1L821 N822 Y823 R827 S828 E829L821-H825 PolarHBondContact O-CD2 2.93Å; L821-H825 PolarHBondContact O-N 2.83Å; L821-H825 VanDerWaalsContact O-N 3.11Å; N822-H825 PolarHBondContact O-N 3.44Å; Y823-H825 VanDerWaalsContact C-N 3.33Å; Y823-H825 PolarHBondContact O-N 2.73Å; H825-R827 VanDerWaalsContact C-N 3.34Å; H825-R827 PolarHBondContact O-N 3.48Å; H825-S828 PolarHBondContact O-N 2.58Å; H825-E829 PolarHBondContact O-N 2.85Å
826Y88.1Confident77.5Confident50 Ų5055.2 Ų55.220%0.19629%0.286CS..Hα-helixtrans-53.1-49.4174.7158.2-100.5000112.3N822 Y823 E829 H830 I861 L862 Y867N822-Y826 WeakPolarHBondContact O-CB 3.16Å; N822-Y826 PolarHBondContact O-N 2.77Å; Y823-Y826 AromaticContact CD2-CD1 3.88Å; Y823-Y826 HydrophobicContact CD2-CD1 3.88Å; Y823-Y826 HydrophobicContact CD2-CE1 4.41Å; Y823-Y826 HydrophobicContact CE2-CD1 4.01Å; Y823-Y826 HydrophobicContact CE2-CE1 4.13Å; Y823-Y826 PolarHBondContact O-N 3.46Å; Y826-E829 PolarHBondContact O-N 3.36Å; Y826-H830 AromaticContact CD2-CD2 3.85Å; Y826-H830 AromaticContact CE2-CD2 3.3Å; Y826-H830 WeakPolarHBondContact CE2-CD2 3.31Å; Y826-H830 AromaticContact CE2-NE2 3.37Å; Y826-H830 WeakPolarHBondContact CE2-NE2 3.1Å; Y826-H830 AromaticContact CZ-CD2 3.75Å; Y826-H830 AromaticContact CZ-NE2 3.84Å; Y826-H830 PolarHBondContact O-N 2.82Å; Y826-H830 VanDerWaalsContact O-N 3.08Å; Y826-I861 HydrophobicContact CE1-CG2 4.08Å; Y826-L862 HydrophobicContact CE1-CB 4.18Å; Y826-L862 PolarHBondContact OH-N 3.28Å; Y826-Y867 AromaticContact CD1-CD2 3.82Å; Y826-Y867 HydrophobicContact CD1-CD2 3.82Å; Y826-Y867 AromaticContact CD1-CE2 3.99Å; Y826-Y867 HydrophobicContact CD1-CE2 3.99Å; Y826-Y867 HydrophobicContact CD2-CE2 4.23Å; Y826-Y867 HydrophobicContact CE1-CD2 4.18Å; Y826-Y867 HydrophobicContact CG-CD2 4.03Å; Y826-Y867 AromaticContact CG-CE2 3.75Å; Y826-Y867 HydrophobicContact CG-CE2 3.75Å
827R82.9Confident75Confident41 Ų4160.9 Ų60.916%0.15532%0.316CS..Hα-helixtrans-66.7-40.1-179-176159.6171.1154.5-4.8111.9E231 Y234 Y823 H825 H830 L831 I861E231-R827 VanDerWaalsContact CD-NE 3.33Å; E231-R827 IonicContact OE1-CZ 2.96Å; E231-R827 IonicContact OE1-NE 2.67Å; E231-R827 PolarHBondContact OE1-NE 2.74Å; E231-R827 VanDerWaalsContact OE1-NE 3.13Å; E231-R827 IonicContact OE1-NH2 2.68Å; E231-R827 PolarHBondContact OE1-NH2 3.35Å; E231-R827 WeakPolarHBondContact OE2-CD 3.29Å; E231-R827 WeakPolarHBondContact OE2-CG 3.43Å; E231-R827 IonicContact OE2-CZ 4Å; E231-R827 IonicContact OE2-NE 2.89Å; E231-R827 PolarHBondContact OE2-NE 2.74Å; E231-R827 IonicContact OE2-NH2 3.23Å; Y234-R827 PolarHBondContact OH-NH1 3.32Å; Y823-R827 VanDerWaalsContact O-CB 3.23Å; Y823-R827 WeakPolarHBondContact O-CB 3.18Å; Y823-R827 PolarHBondContact O-N 2.96Å; Y823-R827 PolarHBondContact OH-NH1 2.78Å; H825-R827 VanDerWaalsContact C-N 3.34Å; H825-R827 PolarHBondContact O-N 3.48Å; R827-H830 PolarHBondContact O-N 3.25Å; R827-L831 HydrophobicContact CG-CD1 4.4Å; R827-L831 WeakPolarHBondContact O-CG 3.18Å; R827-L831 PolarHBondContact O-N 3.39Å; R827-L831 VanDerWaalsContact O-N 3.07Å; R827-I861 HydrophobicContact CG-CG2 4.07Å
828S79.7Confident72.2Confident30 Ų3066.7 Ų66.721%0.2135%0.348CS..Hα-helixtrans-62.2-43.6175.3-640000112.8F824 H825 L831 K832F824-S828 VanDerWaalsContact O-CB 3.26Å; F824-S828 WeakPolarHBondContact O-CB 3.36Å; F824-S828 PolarHBondContact O-N 2.74Å; F824-S828 PolarHBondContact O-OG 3.08Å; H825-S828 PolarHBondContact O-N 2.58Å; S828-L831 PolarHBondContact O-N 3.36Å; S828-K832 WeakPolarHBondContact O-CG 3.33Å; S828-K832 PolarHBondContact O-N 3.07Å
829E80.2Confident69.1Low96 Ų9671.8 Ų71.845%0.44938%0.375SS..Hα-helixtrans-68.1-40.8177-67.2-50.212500112.1H825 Y826 L831 K832 L833H825-E829 PolarHBondContact O-N 2.85Å; Y826-E829 PolarHBondContact O-N 3.36Å; E829-L831 VanDerWaalsContact C-N 3.29Å; E829-L831 PolarHBondContact O-N 3.47Å; E829-K832 PolarHBondContact O-N 3.13Å; E829-K832 IonicContact OE1-NZ 3.08Å; E829-K832 PolarHBondContact OE1-NZ 3.13Å; E829-K832 IonicContact OE2-NZ 3.2Å; E829-L833 WeakPolarHBondContact O-CG 3.43Å; E829-L833 PolarHBondContact O-N 3.2Å
830H77.6Confident66Low59 Ų5978.4 Ų78.427%0.27341%0.409SS..Hα-helixtrans-58.2-39.5174.1-103.5-99000112.8Y826 R827 L833 S834 I861Y826-H830 AromaticContact CD2-CD2 3.85Å; Y826-H830 AromaticContact CE2-CD2 3.3Å; Y826-H830 WeakPolarHBondContact CE2-CD2 3.31Å; Y826-H830 AromaticContact CE2-NE2 3.37Å; Y826-H830 WeakPolarHBondContact CE2-NE2 3.1Å; Y826-H830 AromaticContact CZ-CD2 3.75Å; Y826-H830 AromaticContact CZ-NE2 3.84Å; Y826-H830 PolarHBondContact O-N 2.82Å; Y826-H830 VanDerWaalsContact O-N 3.08Å; R827-H830 PolarHBondContact O-N 3.25Å; H830-L833 PolarHBondContact O-N 3.03Å; H830-S834 PolarHBondContact O-N 2.88Å; H830-I861 HydrophobicContact CB-CD1 4.08Å; H830-I861 HydrophobicContact CB-CG1 4.01Å
831L70.9Confident62.9Low61 Ų6188.5 Ų88.532%0.31946%0.456SS..Hα-helixtrans-68.8-41.3178.2-71.5168.8000112.3E231 R827 S828 E829 L833 S834 S835 I861E231-L831 HydrophobicContact CG-CD1 3.98Å; R827-L831 HydrophobicContact CG-CD1 4.4Å; R827-L831 WeakPolarHBondContact O-CG 3.18Å; R827-L831 PolarHBondContact O-N 3.39Å; R827-L831 VanDerWaalsContact O-N 3.07Å; S828-L831 PolarHBondContact O-N 3.36Å; E829-L831 VanDerWaalsContact C-N 3.29Å; E829-L831 PolarHBondContact O-N 3.47Å; L831-L833 VanDerWaalsContact C-N 3.35Å; L831-L833 PolarHBondContact O-N 3.39Å; L831-S834 WeakPolarHBondContact O-CB 3.41Å; L831-S834 PolarHBondContact O-N 3.25Å; L831-S834 VanDerWaalsContact O-N 3.09Å; L831-S835 PolarHBondContact O-N 3.33Å; L831-I861 HydrophobicContact CD2-CD1 3.82Å; L831-I861 HydrophobicContact CG-CD1 3.98Å
832K66.6Low59.8Low111 Ų11190.3 Ų90.348%0.48348%0.481SS..Hα-helixtrans-60.1-42.6172.9-67169.6-173.7174.70112.3S828 E829 S834 S835 N836S828-K832 WeakPolarHBondContact O-CG 3.33Å; S828-K832 PolarHBondContact O-N 3.07Å; E829-K832 PolarHBondContact O-N 3.13Å; E829-K832 IonicContact OE1-NZ 3.08Å; E829-K832 PolarHBondContact OE1-NZ 3.13Å; E829-K832 IonicContact OE2-NZ 3.2Å; K832-S834 PolarHBondContact O-N 2.74Å; K832-S835 PolarHBondContact O-N 3.18Å; K832-S835 PolarHBondContact O-OG 2.93Å; K832-N836 PolarHBondContact O-N 2.82Å
833L54.7Low56.7Low104 Ų10493 Ų9355%0.54550%0.5SS..Hα-helixtrans-67.9-16.1176.8-70.6168.3000113.2E829 H830 L831E829-L833 WeakPolarHBondContact O-CG 3.43Å; E829-L833 PolarHBondContact O-N 3.2Å; H830-L833 PolarHBondContact O-N 3.03Å; L831-L833 VanDerWaalsContact C-N 3.35Å; L831-L833 PolarHBondContact O-N 3.39Å
834S51Low53.7Low70 Ų7098.4 Ų98.449%0.4954%0.537SS..Hα-helixtrans-84.3-37173.3-163.60000112.7H830 L831 K832H830-S834 PolarHBondContact O-N 2.88Å; L831-S834 WeakPolarHBondContact O-CB 3.41Å; L831-S834 PolarHBondContact O-N 3.25Å; L831-S834 VanDerWaalsContact O-N 3.09Å; K832-S834 PolarHBondContact O-N 2.74Å
835S42.6Very low50.9Low75 Ų75104.5 Ų104.552%0.52456%0.564SS.*Hα-helixtrans-69.9-39.1-179.3590000113.2L831 K832 N837 N838L831-S835 PolarHBondContact O-N 3.33Å; K832-S835 PolarHBondContact O-N 3.18Å; K832-S835 PolarHBondContact O-OG 2.93Å; S835-N837 PolarHBondContact O-N 3.49Å; S835-N837 VanDerWaalsContact O-N 3.08Å; S835-N838 PolarHBondContact O-N 3.24Å; S835-N838 VanDerWaalsContact O-N 3.12Å
836N37.6Very low48Very low127 Ų127106.3 Ų106.368%0.67958%0.577SS**THydrogen-bonded Turntrans-66.3-13.1-174.7-75.23000114.7K832K832-N836 PolarHBondContact O-N 2.82Å
837N39Very low45Very low119 Ų119113.4 Ų113.464%0.63661%0.61SS**THydrogen-bonded Turntrans-89.6-9.9176.7-86.722.7000113.9S835S835-N837 PolarHBondContact O-N 3.49Å; S835-N837 VanDerWaalsContact O-N 3.08Å
838N31Very low42.2Very low124 Ų124121.5 Ų121.566%0.66364%0.64SS**  trans-12389.6-176.2-80.6-32.2000111.5S835 N840S835-N838 PolarHBondContact O-N 3.24Å; S835-N838 VanDerWaalsContact O-N 3.12Å; N838-N840 PolarHBondContact O-N 3.19Å
839N26.8Very low39.5Very low162 Ų162127.8 Ų127.887%0.86667%0.671SS**  trans-72.858.5170.6-81.1-17.8000112.3
840N26Very low37Very low148 Ų148129.2 Ų129.279%0.79168%0.681SS**SBendtrans-148.2121167.7-95.7-45.2000108.9N838 G842N838-N840 PolarHBondContact O-N 3.19Å; N840-G842 PolarHBondContact O-N 3.46Å
841H25.1Very low34.5Very low212 Ų212132.1 Ų132.198%0.98171%0.708SS**  trans-72.972.6174.1-74.5-68.9000111.2
842G24.7Very low32.5Very low64 Ų64134.7 Ų134.766%0.6672%0.72SS**PPolyproline II helixtrans-93.6139.1167.400000111N840N840-G842 PolarHBondContact O-N 3.46Å
843T25Very low30.6Very low141 Ų141134 Ų13487%0.86573%0.728SS**PPolyproline II helixtrans-65.6145-17938.60000112.7F845T843-F845 PolarHBondContact O-N 2.81Å
844C25.4Very low29.5Very low115 Ų115137.5 Ų137.578%0.77774%0.741SS**SBendtrans-63.6129.2-173.5-73.70000113.2
845F28.7Very low28.6Very low172 Ų172143.2 Ų143.275%0.75476%0.76SS**  trans50.880.6161.1-64.4-76.2000118.2T843T843-F845 PolarHBondContact O-N 2.81Å
846N24Very low28.3Very low151 Ų151146.4 Ų146.481%0.80777%0.767SS**  trans-76.2120.3142.6-94-52.3000109.3R848N846-R848 PolarHBondContact O-N 2.99Å
847F25.2Very low28.3Very low200 Ų200144.6 Ų144.688%0.87776%0.764SS**  trans-7095.4164.6-88.4-91.4000109.5
848R23.9Very low28.4Very low211 Ų211148.1 Ų148.180%0.79677%0.774SS**  trans-108.9135159-87.4-171.1169.6-172-2.9109.1N846 I850N846-R848 PolarHBondContact O-N 2.99Å; R848-I850 HydrophobicContact CB-CG1 4.33Å; R848-I850 PolarHBondContact O-N 3.21Å
849N24.3Very low29.3Very low161 Ų161149.8 Ų149.886%0.86177%0.771SS**  trans-60.8108.5168.2-67.5-8000108.6
850I27.3Very low31.2Very low127 Ų127145.9 Ų145.965%0.65176%0.76SS**  trans-127.1117.2173.1-63.5177.3000106.6R848 I852R848-I850 HydrophobicContact CB-CG1 4.33Å; R848-I850 PolarHBondContact O-N 3.21Å; I850-I852 PolarHBondContact O-N 3.23Å
851S25.8Very low33.7Very low119 Ų119141.8 Ų141.883%0.83274%0.738SS**  trans-64.4110.6168.849.10000109.2
852I28.3Very low36.7Very low115 Ų115133.6 Ų133.659%0.5970%0.701SS**  trans-84.4130.2-177.4-53.5-179000109.4I850 Q856I850-I852 PolarHBondContact O-N 3.23Å; I852-Q856 HydrophobicContact CG2-CB 3.77Å; I852-Q856 HydrophobicContact CG2-CG 4.43Å
853P26.8Very low39.7Very low97 Ų97132.1 Ų132.163%0.6368%0.681SS**  trans-69.9147.417329.4-34000111.6E855 Q856P853-E855 VanDerWaalsContact C-N 3.29Å; P853-E855 PolarHBondContact O-N 2.84Å; P853-Q856 PolarHBondContact O-N 3.41Å
854E30.6Very low42.8Very low177 Ų177125.4 Ų125.483%0.82764%0.64SS**G310 helixtrans-62.5-22.9-153.8-62.6177.6114.400116.1Q856 S857E854-Q856 VanDerWaalsContact C-N 3.33Å; E854-Q856 PolarHBondContact O-N 3.44Å; E854-S857 VanDerWaalsContact O-CB 3.27Å; E854-S857 WeakPolarHBondContact O-CB 3.49Å; E854-S857 PolarHBondContact O-N 3.46Å; E854-S857 PolarHBondContact O-OG 3.01Å
855E32.3Very low46Very low190 Ų190120 Ų12089%0.88860%0.603SS**G310 helixtrans-71.1-19.2-177-66.7-162.4114.700114.9P853 S857P853-E855 VanDerWaalsContact C-N 3.29Å; P853-E855 PolarHBondContact O-N 2.84Å; E855-S857 VanDerWaalsContact C-N 3.26Å; E855-S857 PolarHBondContact O-N 2.74Å
856Q35.8Very low49Very low143 Ų143114.9 Ų114.967%0.66858%0.584SS**G310 helixtrans-79.5-5.2176.3-69.2-169.8-5.800113.9I852 P853 E854 K858I852-Q856 HydrophobicContact CG2-CB 3.77Å; I852-Q856 HydrophobicContact CG2-CG 4.43Å; P853-Q856 PolarHBondContact O-N 3.41Å; E854-Q856 VanDerWaalsContact C-N 3.33Å; E854-Q856 PolarHBondContact O-N 3.44Å; Q856-K858 PolarHBondContact O-N 3.49Å; Q856-K858 VanDerWaalsContact O-N 3.07Å
857S38.6Very low52.3Low88 Ų88108.7 Ų108.762%0.61555%0.549SS*.G310 helixtrans-55.8-25.3-176.853.10000115.5E854 E855 R859E854-S857 VanDerWaalsContact O-CB 3.27Å; E854-S857 WeakPolarHBondContact O-CB 3.49Å; E854-S857 PolarHBondContact O-N 3.46Å; E854-S857 PolarHBondContact O-OG 3.01Å; E855-S857 VanDerWaalsContact C-N 3.26Å; E855-S857 PolarHBondContact O-N 2.74Å; S857-R859 VanDerWaalsContact C-N 3.25Å; S857-R859 PolarHBondContact O-N 2.99Å; S857-R859 VanDerWaalsContact O-N 3.12Å
858K39.9Very low55.4Low194 Ų19499.1 Ų99.184%0.84351%0.507SS*.G310 helixtrans-75.99.2-173.1-70-178.7177.3172.10116.3Q856Q856-K858 PolarHBondContact O-N 3.49Å; Q856-K858 VanDerWaalsContact O-N 3.07Å
859R51.9Low58.6Low159 Ų15991 Ų9160%0.648%0.479SS*.G310 helixtrans-133.722179.9-69-167.8-178.8-172.11.8115.5S857 I861S857-R859 VanDerWaalsContact C-N 3.25Å; S857-R859 PolarHBondContact O-N 2.99Å; S857-R859 VanDerWaalsContact O-N 3.12Å; R859-I861 PolarHBondContact O-N 3.48Å
860A66.3Low61.7Low79 Ų7989.7 Ų89.765%0.65347%0.468SS*.PPolyproline II helixtrans-61132.7166.600000110.5
861I78.6Confident64.3Low63 Ų6388.2 Ų88.232%0.32346%0.458SS..PPolyproline II helixtrans-75126.6171-59.9179.3000107.5Y826 R827 H830 L831 R859Y826-I861 HydrophobicContact CE1-CG2 4.08Å; R827-I861 HydrophobicContact CG-CG2 4.07Å; H830-I861 HydrophobicContact CB-CD1 4.08Å; H830-I861 HydrophobicContact CB-CG1 4.01Å; L831-I861 HydrophobicContact CD2-CD1 3.82Å; L831-I861 HydrophobicContact CG-CD1 3.98Å; R859-I861 PolarHBondContact O-N 3.48Å
862L86.6Confident66.8Low39 Ų3982.8 Ų82.820%0.20442%0.42CS..PPolyproline II helixtrans-60.2148.1177.8-65.3171.9000111.4Y823 Y826 D866 Y867Y823-L862 WeakPolarHBondContact CE2-O 3.45Å; Y823-L862 PolarHBondContact OH-O 3.41Å; Y826-L862 HydrophobicContact CE1-CB 4.18Å; Y826-L862 PolarHBondContact OH-N 3.28Å; L862-D866 HydrophobicContact CB-CB 4.18Å; L862-D866 HydrophobicContact CD2-CB 4.06Å; L862-Y867 HydrophobicContact CD1-CD2 4.47Å
863S89.2Confident68.1Low33 Ų3380.9 Ų80.923%0.23142%0.415CS..PPolyproline II helixtrans-67.4165.1164.980.60000110.4Q723 F865 D866 Y867Q723-S863 PolarHBondContact NE2-OG 2.72Å; Q723-S863 PolarHBondContact OE1-OG 3.09Å; S863-F865 PolarHBondContact O-N 3.15Å; S863-D866 WeakPolarHBondContact CB-OD2 3.48Å; S863-D866 PolarHBondContact N-OD2 3.01Å; S863-D866 VanDerWaalsContact N-OD2 3.11Å; S863-D866 PolarHBondContact O-N 3.27Å; S863-D866 PolarHBondContact OG-N 3.02Å; S863-D866 PolarHBondContact OG-OD2 3.02Å; S863-Y867 WeakPolarHBondContact O-CB 3.15Å; S863-Y867 PolarHBondContact O-N 3.12Å
864L89.9Confident69.2Low1 Ų184.3 Ų84.31%0.00542%0.422CS..Hα-helixtrans-61.6-37.1178.7173.756.7000110.5Y234 Q723 L724 L727 I820 Y823 L868Y234-L864 HydrophobicContact CE1-CD2 4.47Å; Q723-L864 HydrophobicContact CB-CB 4.4Å; L724-L864 HydrophobicContact CB-CD2 4Å; L724-L864 HydrophobicContact CD1-CD2 3.99Å; L727-L864 HydrophobicContact CD1-CD2 3.93Å; L727-L864 HydrophobicContact CD1-CG 4.19Å; I820-L864 HydrophobicContact CG1-CD1 4.38Å; Y823-L864 HydrophobicContact CD1-CB 4.15Å; Y823-L864 HydrophobicContact CD1-CD1 3.68Å; Y823-L864 HydrophobicContact CD1-CG 4.39Å; Y823-L864 HydrophobicContact CD2-CD1 4.26Å; Y823-L864 HydrophobicContact CE1-CB 3.92Å; Y823-L864 HydrophobicContact CE1-CD1 4.34Å; Y823-L864 HydrophobicContact CG-CD1 3.62Å; L864-L868 HydrophobicContact CD1-CD1 4.11Å; L864-L868 HydrophobicContact CD1-CG 4.25Å; L864-L868 HydrophobicContact CG-CD1 4.21Å; L864-L868 WeakPolarHBondContact O-CB 3.27Å; L864-L868 WeakPolarHBondContact O-CG 3.34Å; L864-L868 PolarHBondContact O-N 3.24Å
865F92.9Very high69.3Low0 Ų082.5 Ų82.50%042%0.418CS..Hα-helixtrans-70.7-42.4175.4-68.8-4.9000113.2Q723 L727 L796 E798 L799 V802 S863 Y867 L868 I869Q723-F865 HydrophobicContact CB-CD1 3.84Å; Q723-F865 HydrophobicContact CB-CD2 4.37Å; Q723-F865 HydrophobicContact CB-CE1 3.51Å; Q723-F865 HydrophobicContact CB-CE2 4.07Å; Q723-F865 HydrophobicContact CB-CG 4.26Å; Q723-F865 HydrophobicContact CB-CZ 3.63Å; Q723-F865 HydrophobicContact CG-CD1 4.06Å; Q723-F865 HydrophobicContact CG-CD2 3.76Å; Q723-F865 HydrophobicContact CG-CE1 3.99Å; Q723-F865 HydrophobicContact CG-CE2 3.68Å; Q723-F865 HydrophobicContact CG-CG 3.94Å; Q723-F865 HydrophobicContact CG-CZ 3.79Å; L727-F865 HydrophobicContact CD1-CE1 4.1Å; L727-F865 HydrophobicContact CD2-CE1 4.25Å; L727-F865 HydrophobicContact CG-CE1 4.14Å; L796-F865 HydrophobicContact CD2-CE2 3.8Å; L796-F865 HydrophobicContact CD2-CZ 4.1Å; E798-F865 HydrophobicContact CB-CB 4.19Å; E798-F865 HydrophobicContact CB-CD2 4.28Å; L799-F865 HydrophobicContact CB-CE2 3.81Å; L799-F865 HydrophobicContact CB-CZ 4.34Å; L799-F865 HydrophobicContact CD1-CE1 4.48Å; L799-F865 HydrophobicContact CD1-CE2 4.04Å; L799-F865 HydrophobicContact CD1-CZ 3.67Å; L799-F865 HydrophobicContact CG-CE2 4.49Å; V802-F865 HydrophobicContact CG2-CB 3.76Å; V802-F865 HydrophobicContact CG2-CD1 4.04Å; V802-F865 HydrophobicContact CG2-CD2 4.46Å; V802-F865 HydrophobicContact CG2-CG 3.84Å; S863-F865 PolarHBondContact O-N 3.15Å; F865-Y867 VanDerWaalsContact C-N 3.31Å; F865-Y867 PolarHBondContact O-N 3.36Å; F865-L868 HydrophobicContact CD1-CD1 4.39Å; F865-L868 PolarHBondContact O-N 3.41Å; F865-I869 VanDerWaalsContact O-CG1 3.3Å; F865-I869 WeakPolarHBondContact O-CG1 3.18Å; F865-I869 PolarHBondContact O-N 2.68Å
866D91.5Very high69.4Low66 Ų6677.4 Ų77.435%0.35340%0.4SS..Hα-helixtrans-62.9-40.3176.7-53.9-53.5000111.4L862 S863 I869 Q870L862-D866 HydrophobicContact CB-CB 4.18Å; L862-D866 HydrophobicContact CD2-CB 4.06Å; S863-D866 WeakPolarHBondContact CB-OD2 3.48Å; S863-D866 PolarHBondContact N-OD2 3.01Å; S863-D866 VanDerWaalsContact N-OD2 3.11Å; S863-D866 PolarHBondContact O-N 3.27Å; S863-D866 PolarHBondContact OG-N 3.02Å; S863-D866 PolarHBondContact OG-OD2 3.02Å; D866-I869 PolarHBondContact O-N 3.27Å; D866-Q870 PolarHBondContact O-N 3.15Å
867Y91.7Very high69Low20 Ų2075.7 Ų75.78%0.07840%0.403CS..Hα-helixtrans-62.9-47174.7176.8-95.7000111.4N822 Y823 Y826 L862 S863 F865 I869 Q870 Q871N822-Y867 WeakPolarHBondContact CB-OH 3.24Å; Y823-Y867 AromaticContact CD2-CD1 3.68Å; Y823-Y867 HydrophobicContact CD2-CD1 3.68Å; Y823-Y867 HydrophobicContact CD2-CD2 4.06Å; Y823-Y867 HydrophobicContact CD2-CE1 4.33Å; Y823-Y867 AromaticContact CD2-CG 3.52Å; Y823-Y867 HydrophobicContact CD2-CG 3.52Å; Y823-Y867 HydrophobicContact CE2-CG 4.25Å; Y823-Y867 HydrophobicContact CG-CD1 4.17Å; Y823-Y867 HydrophobicContact CG-CG 4.44Å; Y826-Y867 AromaticContact CD1-CD2 3.82Å; Y826-Y867 HydrophobicContact CD1-CD2 3.82Å; Y826-Y867 AromaticContact CD1-CE2 3.99Å; Y826-Y867 HydrophobicContact CD1-CE2 3.99Å; Y826-Y867 HydrophobicContact CD2-CE2 4.23Å; Y826-Y867 HydrophobicContact CE1-CD2 4.18Å; Y826-Y867 HydrophobicContact CG-CD2 4.03Å; Y826-Y867 AromaticContact CG-CE2 3.75Å; Y826-Y867 HydrophobicContact CG-CE2 3.75Å; L862-Y867 HydrophobicContact CD1-CD2 4.47Å; S863-Y867 WeakPolarHBondContact O-CB 3.15Å; S863-Y867 PolarHBondContact O-N 3.12Å; F865-Y867 VanDerWaalsContact C-N 3.31Å; F865-Y867 PolarHBondContact O-N 3.36Å; Y867-I869 VanDerWaalsContact C-N 3.32Å; Y867-I869 PolarHBondContact O-N 3.36Å; Y867-Q870 PolarHBondContact O-N 2.75Å; Y867-Q870 VanDerWaalsContact O-N 3.15Å; Y867-Q871 HydrophobicContact CD1-CG 4.05Å; Y867-Q871 HydrophobicContact CD2-CG 4.43Å; Y867-Q871 HydrophobicContact CE1-CG 3.67Å; Y867-Q871 HydrophobicContact CE2-CG 4.08Å; Y867-Q871 HydrophobicContact CG-CG 4.41Å; Y867-Q871 WeakPolarHBondContact O-CG 3.3Å; Y867-Q871 PolarHBondContact O-N 3.5Å
868L92.1Very high68.6Low0 Ų084.3 Ų84.30%043%0.434CS..Hα-helixtrans-60.3-41.2176.2-74.2169.7000111.9L727 V802 W811 L816 A819 L864 F865 Q870 Q871 L872L727-L868 HydrophobicContact CD1-CD1 3.61Å; V802-L868 HydrophobicContact CG1-CB 4.47Å; V802-L868 HydrophobicContact CG1-CD1 4.09Å; V802-L868 HydrophobicContact CG2-CB 4.47Å; W811-L868 HydrophobicContact CH2-CD2 4.25Å; W811-L868 HydrophobicContact CZ3-CD2 3.98Å; L816-L868 HydrophobicContact CD1-CD1 4.45Å; L816-L868 HydrophobicContact CD1-CD2 4.5Å; A819-L868 HydrophobicContact CB-CD2 3.48Å; A819-L868 VanDerWaalsContact CB-CD2 3.48Å; L864-L868 HydrophobicContact CD1-CD1 4.11Å; L864-L868 HydrophobicContact CD1-CG 4.25Å; L864-L868 HydrophobicContact CG-CD1 4.21Å; L864-L868 WeakPolarHBondContact O-CB 3.27Å; L864-L868 WeakPolarHBondContact O-CG 3.34Å; L864-L868 PolarHBondContact O-N 3.24Å; F865-L868 HydrophobicContact CD1-CD1 4.39Å; F865-L868 PolarHBondContact O-N 3.41Å; L868-Q870 VanDerWaalsContact C-N 3.31Å; L868-Q870 PolarHBondContact O-N 3.17Å; L868-Q871 PolarHBondContact O-N 3.32Å; L868-L872 HydrophobicContact CB-CD1 4.49Å; L868-L872 WeakPolarHBondContact O-CB 3.46Å; L868-L872 WeakPolarHBondContact O-CD1 3.4Å; L868-L872 WeakPolarHBondContact O-CG 3.35Å; L868-L872 PolarHBondContact O-N 3.31Å
869I91.3Very high70Confident41 Ų4178.8 Ų78.821%0.2141%0.413CS..Hα-helixtrans-62.2-36.8175.6-70.7164.9000111.5E798 T801 V802 L805 F865 D866 Y867E798-I869 HydrophobicContact CB-CD1 3.92Å; E798-I869 HydrophobicContact CG-CD1 4.17Å; T801-I869 HydrophobicContact CG2-CD1 3.85Å; T801-I869 HydrophobicContact CG2-CG1 4.21Å; V802-I869 HydrophobicContact CG2-CD1 4.12Å; V802-I869 HydrophobicContact CG2-CG1 3.94Å; L805-I869 HydrophobicContact CD1-CB 4.36Å; L805-I869 HydrophobicContact CD1-CG1 3.96Å; L805-I869 HydrophobicContact CD1-CG2 4.26Å; F865-I869 VanDerWaalsContact O-CG1 3.3Å; F865-I869 WeakPolarHBondContact O-CG1 3.18Å; F865-I869 PolarHBondContact O-N 2.68Å; D866-I869 PolarHBondContact O-N 3.27Å; Y867-I869 VanDerWaalsContact C-N 3.32Å; Y867-I869 PolarHBondContact O-N 3.36Å
870Q87.8Confident71Confident132 Ų13274.6 Ų74.662%0.61740%0.404SS*.Hα-helixtrans-73.4-32173.8-71.5-172.55.800113.8D866 Y867 L868D866-Q870 PolarHBondContact O-N 3.15Å; Y867-Q870 PolarHBondContact O-N 2.75Å; Y867-Q870 VanDerWaalsContact O-N 3.15Å; L868-Q870 VanDerWaalsContact C-N 3.31Å; L868-Q870 PolarHBondContact O-N 3.17Å
871Q83Confident71.3Confident97 Ų9774.3 Ų74.345%0.45339%0.39SS..Hα-helixtrans-82.5-20179.1-64.8-57.9-43.400113.6Y867 L868 P873Y867-Q871 HydrophobicContact CD1-CG 4.05Å; Y867-Q871 HydrophobicContact CD2-CG 4.43Å; Y867-Q871 HydrophobicContact CE1-CG 3.67Å; Y867-Q871 HydrophobicContact CE2-CG 4.08Å; Y867-Q871 HydrophobicContact CG-CG 4.41Å; Y867-Q871 WeakPolarHBondContact O-CG 3.3Å; Y867-Q871 PolarHBondContact O-N 3.5Å; L868-Q871 PolarHBondContact O-N 3.32Å; Q871-P873 WeakPolarHBondContact O-CD 3.45Å
872L77.2Confident70.8Confident4 Ų475 Ų752%0.02139%0.394CS..SBendtrans-87.995.1171.6-77.4155.3000108.6L805 V806 A809 W811 L868L805-L872 HydrophobicContact CB-CB 4.08Å; L805-L872 HydrophobicContact CB-CD1 3.73Å; L805-L872 HydrophobicContact CB-CD2 4.44Å; L805-L872 HydrophobicContact CB-CG 4.3Å; L805-L872 HydrophobicContact CD1-CB 4.3Å; V806-L872 HydrophobicContact CG2-CD1 3.8Å; A809-L872 HydrophobicContact CB-CD2 3.56Å; W811-L872 HydrophobicContact CD2-CD2 3.81Å; W811-L872 HydrophobicContact CE3-CD2 4.21Å; W811-L872 HydrophobicContact CG-CD2 4.43Å; W811-L872 HydrophobicContact CH2-CD1 4.25Å; W811-L872 HydrophobicContact CH2-CD2 3.85Å; W811-L872 HydrophobicContact CH2-CG 3.75Å; W811-L872 HydrophobicContact CZ2-CD2 3.39Å; W811-L872 HydrophobicContact CZ2-CG 3.71Å; W811-L872 HydrophobicContact CZ3-CD1 4.34Å; W811-L872 HydrophobicContact CZ3-CD2 4.23Å; W811-L872 HydrophobicContact CZ3-CG 4.28Å; L868-L872 HydrophobicContact CB-CD1 4.49Å; L868-L872 WeakPolarHBondContact O-CB 3.46Å; L868-L872 WeakPolarHBondContact O-CD1 3.4Å; L868-L872 WeakPolarHBondContact O-CG 3.35Å; L868-L872 PolarHBondContact O-N 3.31Å
873P57.1Low69.8Low75 Ų7577.3 Ų77.349%0.48741%0.406SS..  trans-63.3152.9-169.827.8-36.7000111.8Q871 N875Q871-P873 WeakPolarHBondContact O-CD 3.45Å; P873-N875 HydrophobicContact CB-CB 4.34Å; P873-N875 HydrophobicContact CG-CB 4.16Å; P873-N875 PolarHBondContact O-N 3.34Å
874H48.1Very low68.5Low170 Ų17080.2 Ų80.279%0.78742%0.417SS*.  trans-68.737.6166.9-72.3-59.7000113.2V876H874-V876 PolarHBondContact O-N 3.38Å
875N33.9Very low67Low139 Ų13985.9 Ų85.974%0.74345%0.447SS*.  trans-77.655.9172.5-73.2-2.5000111.2P873P873-N875 HydrophobicContact CB-CB 4.34Å; P873-N875 HydrophobicContact CG-CB 4.16Å; P873-N875 PolarHBondContact O-N 3.34Å
876V33.8Very low65Low82 Ų8292.5 Ų92.550%0.49748%0.481SS..  trans-121.595.8145.3170.30000105.9K808 H874K808-V876 HydrophobicContact CD-CB 4.48Å; K808-V876 HydrophobicContact CD-CG2 3.61Å; K808-V876 VanDerWaalsContact CE-CG2 3.48Å; K808-V876 HydrophobicContact CG-CG2 3.91Å; H874-V876 PolarHBondContact O-N 3.38Å
877S28.6Very low62.8Low107 Ų10794.7 Ų94.775%0.74849%0.492SS*.  trans-51.2150156.949.20000110.2
878Q29.3Very low60.2Low269 Ų269101.5 Ų101.5100%1.25753%0.529SS*.  trans-61.90168.7-63.6169.6-41.400111.4

Retrieved 878 of 878 residues in 242.5 ms (Link to these results)

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