A0A077ZK08_TRITR Loading...

Trehalase

AlphaFold DB , UniProt , Accession A0A077ZK08, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 565 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
1M51.9Low77.3Confident204 Ų20479.6 Ų79.6100%1.00538%0.377SS*.  0-57.90-159172.5-85.300110.9Y3 Y4 V5M1-Y3 PolarHBondContact O-N 3.22Å; M1-Y4 WeakPolarHBondContact O-CB 3.44Å; M1-Y4 PolarHBondContact O-N 3.1Å; M1-V5 PolarHBondContact O-N 3.36Å; M1-V5 VanDerWaalsContact O-N 3.15Å
2M61.1Low78.8Confident72 Ų7273 Ų7336%0.35535%0.345SS..Hα-helixtrans-54.7-43.5-178.9-159.8172.481.500114.8Y4 V5 V6 N183 H184M2-Y4 VanDerWaalsContact C-N 3.32Å; M2-Y4 PolarHBondContact O-N 3.36Å; M2-V5 PolarHBondContact O-N 3.1Å; M2-V6 HydrophobicContact CG-CG2 4.44Å; M2-V6 WeakPolarHBondContact O-CG2 3.31Å; M2-V6 PolarHBondContact O-N 3.37Å; M2-N183 HydrophobicContact CE-CB 4.4Å; M2-N183 VanDerWaalsContact CE-O 3.3Å; M2-N183 WeakPolarHBondContact CE-O 3.44Å; M2-H184 WeakPolarHBondContact CE-CE1 3.49Å; M2-H184 WeakPolarHBondContact CE-ND1 3.46Å
3Y68Low80.1Confident208 Ų20867.4 Ų67.482%0.81632%0.319SS*.Hα-helixtrans-59.8-38176.1-78.3-75.3000114.1M1 S7M1-Y3 PolarHBondContact O-N 3.22Å; Y3-S7 WeakPolarHBondContact O-CB 3.48Å; Y3-S7 PolarHBondContact O-N 3.49Å
4Y71.6Confident81Confident162 Ų16262.6 Ų62.664%0.63530%0.296SS*.Hα-helixtrans-68.1-45.3177.9177.5-96.7000110.6M1 M2 V6 S7 L8M1-Y4 WeakPolarHBondContact O-CB 3.44Å; M1-Y4 PolarHBondContact O-N 3.1Å; M2-Y4 VanDerWaalsContact C-N 3.32Å; M2-Y4 PolarHBondContact O-N 3.36Å; Y4-V6 PolarHBondContact O-N 3.48Å; Y4-S7 PolarHBondContact O-N 3.17Å; Y4-L8 HydrophobicContact CE1-CD2 4.24Å; Y4-L8 WeakPolarHBondContact O-CB 3.27Å; Y4-L8 PolarHBondContact O-N 3.26Å
5V74.6Confident81.6Confident17 Ų1764.5 Ų64.510%0.10331%0.305CS..Hα-helixtrans-58.6-49.1176.8172.90000111M1 M2 S7 L8 L9 Q127 E128M1-V5 PolarHBondContact O-N 3.36Å; M1-V5 VanDerWaalsContact O-N 3.15Å; M2-V5 PolarHBondContact O-N 3.1Å; V5-S7 VanDerWaalsContact C-N 3.34Å; V5-S7 PolarHBondContact O-N 3.07Å; V5-L8 PolarHBondContact O-N 2.99Å; V5-L9 HydrophobicContact CG1-CD1 4Å; V5-L9 HydrophobicContact CG1-CG 4.47Å; V5-L9 WeakPolarHBondContact O-CB 3.4Å; V5-L9 WeakPolarHBondContact O-CG 3.39Å; V5-L9 PolarHBondContact O-N 2.9Å; V5-Q127 HydrophobicContact CG1-CB 4.44Å; V5-Q127 HydrophobicContact CG1-CG 4.25Å; V5-E128 HydrophobicContact CG1-CB 3.8Å; V5-E128 HydrophobicContact CG2-CB 4.3Å
6V78.7Confident82.3Confident32 Ų3260.9 Ų60.919%0.19429%0.289CS..Hα-helixtrans-61.8-42.3177.6173.90000111.3M2 Y4 L8 S10 L196M2-V6 HydrophobicContact CG-CG2 4.44Å; M2-V6 WeakPolarHBondContact O-CG2 3.31Å; M2-V6 PolarHBondContact O-N 3.37Å; Y4-V6 PolarHBondContact O-N 3.48Å; V6-L8 VanDerWaalsContact C-N 3.33Å; V6-L8 PolarHBondContact O-N 3.13Å; V6-S10 WeakPolarHBondContact O-CB 3.38Å; V6-S10 PolarHBondContact O-N 3.21Å; V6-S10 PolarHBondContact O-OG 3.47Å; V6-L196 HydrophobicContact CG1-CD1 4.32Å; V6-L196 HydrophobicContact CG2-CD1 4.16Å
7S82.7Confident83.1Confident71 Ų7160.6 Ų60.650%0.49729%0.294SS..Hα-helixtrans-63.7-36.5178-175.90000113Y3 Y4 V5Y3-S7 WeakPolarHBondContact O-CB 3.48Å; Y3-S7 PolarHBondContact O-N 3.49Å; Y4-S7 PolarHBondContact O-N 3.17Å; V5-S7 VanDerWaalsContact C-N 3.34Å; V5-S7 PolarHBondContact O-N 3.07Å
8L87.5Confident83.9Confident19 Ų1957.2 Ų57.210%0.09928%0.277CS..Hα-helixtrans-74.1-46.9179-17757.3000111Y4 V5 V6 S10 Q11 P43 V44 L47Y4-L8 HydrophobicContact CE1-CD2 4.24Å; Y4-L8 WeakPolarHBondContact O-CB 3.27Å; Y4-L8 PolarHBondContact O-N 3.26Å; V5-L8 PolarHBondContact O-N 2.99Å; V6-L8 VanDerWaalsContact C-N 3.33Å; V6-L8 PolarHBondContact O-N 3.13Å; L8-S10 PolarHBondContact O-N 2.86Å; L8-Q11 WeakPolarHBondContact O-CB 3.29Å; L8-Q11 PolarHBondContact O-N 3.02Å; L8-P43 HydrophobicContact CD2-CB 4.05Å; L8-P43 HydrophobicContact CD2-CG 3.41Å; L8-P43 VanDerWaalsContact CD2-CG 3.41Å; L8-P43 HydrophobicContact CG-CB 3.93Å; L8-P43 HydrophobicContact CG-CG 3.82Å; L8-V44 HydrophobicContact CD1-CG2 4.16Å; L8-V44 HydrophobicContact CD2-CG2 3.92Å; L8-L47 HydrophobicContact CD1-CD1 4.28Å
9L91.7Very high84.6Confident1 Ų154.2 Ų54.21%0.00526%0.263CS..Hα-helixtrans-60.8-31.1174.6-74.5179.3000112.9V5 Q11 I12 Y13 L39 Q127 E128 F130 I193V5-L9 HydrophobicContact CG1-CD1 4Å; V5-L9 HydrophobicContact CG1-CG 4.47Å; V5-L9 WeakPolarHBondContact O-CB 3.4Å; V5-L9 WeakPolarHBondContact O-CG 3.39Å; V5-L9 PolarHBondContact O-N 2.9Å; L9-Q11 PolarHBondContact O-N 3.12Å; L9-I12 PolarHBondContact O-N 3Å; L9-Y13 HydrophobicContact CB-CD2 4.32Å; L9-Y13 HydrophobicContact CD2-CD2 3.95Å; L9-Y13 HydrophobicContact CD2-CE2 3.72Å; L9-Y13 PolarHBondContact O-N 3.27Å; L9-L39 HydrophobicContact CD2-CD1 4.04Å; L9-Q127 WeakPolarHBondContact CD1-O 3.49Å; L9-E128 WeakPolarHBondContact CD2-O 3.49Å; L9-F130 WeakPolarHBondContact CD1-O 3.26Å; L9-I193 HydrophobicContact CB-CD1 3.52Å; L9-I193 HydrophobicContact CD1-CD1 4.05Å; L9-I193 HydrophobicContact CD1-CG2 4.26Å; L9-I193 HydrophobicContact CG-CD1 4.36Å
10S90.4Very high85.2Confident6 Ų653.7 Ų53.74%0.04226%0.261CS..Hα-helixtrans-61.1-29.4174.6-60.40000112.5V6 L8 I12 C14 H15V6-S10 WeakPolarHBondContact O-CB 3.38Å; V6-S10 PolarHBondContact O-N 3.21Å; V6-S10 PolarHBondContact O-OG 3.47Å; L8-S10 PolarHBondContact O-N 2.86Å; S10-I12 PolarHBondContact O-N 3.49Å; S10-C14 WeakPolarHBondContact O-CA 3.16Å; S10-C14 WeakPolarHBondContact O-CB 3.08Å; S10-C14 PolarHBondContact O-N 3.46Å; S10-H15 WeakPolarHBondContact CB-NE2 3.43Å; S10-H15 PolarHBondContact O-N 3.31Å
11Q92.2Very high85.8Confident84 Ų8452.1 Ų52.139%0.39326%0.257SS..Hα-helixtrans-76.7-1.6174.4-63.5-179.163.200113.7L8 L9 G16 L47L8-Q11 WeakPolarHBondContact O-CB 3.29Å; L8-Q11 PolarHBondContact O-N 3.02Å; L9-Q11 PolarHBondContact O-N 3.12Å; Q11-G16 VanDerWaalsContact O-CA 3.24Å; Q11-G16 WeakPolarHBondContact O-CA 3.09Å; Q11-L47 HydrophobicContact CB-CD1 4.13Å
12I95.5Very high88Confident0 Ų042.4 Ų42.40%021%0.209CC..Hα-helixtrans-114.8-47.5174.5-64.7175.4000109.5L9 S10 I18 L19 L39 P43 L47 F71L9-I12 PolarHBondContact O-N 3Å; S10-I12 PolarHBondContact O-N 3.49Å; I12-I18 HydrophobicContact CG1-CD1 4.37Å; I12-I18 HydrophobicContact CG2-CD1 4.45Å; I12-L19 WeakPolarHBondContact O-CB 3.5Å; I12-L39 HydrophobicContact CD1-CD1 3.78Å; I12-L39 HydrophobicContact CD1-CD2 4.22Å; I12-P43 HydrophobicContact CD1-CB 3.41Å; I12-P43 VanDerWaalsContact CD1-CB 3.41Å; I12-L47 HydrophobicContact CD1-CD1 4.38Å; I12-L47 HydrophobicContact CD1-CG 4.19Å; I12-L47 HydrophobicContact CG1-CD1 4.09Å; I12-L47 HydrophobicContact CG1-CD2 3.99Å; I12-L47 HydrophobicContact CG1-CG 3.91Å; I12-F71 HydrophobicContact CG2-CE1 4Å; I12-F71 HydrophobicContact CG2-CZ 3.94Å
13Y95Very high89.7Confident0 Ų039.2 Ų39.20%019%0.194CC..Hα-helixtrans-106.8-6.5-169.5-63.4-66.1000114.8L9 M37 L39 F71 I193 P264L9-Y13 HydrophobicContact CB-CD2 4.32Å; L9-Y13 HydrophobicContact CD2-CD2 3.95Å; L9-Y13 HydrophobicContact CD2-CE2 3.72Å; L9-Y13 PolarHBondContact O-N 3.27Å; Y13-M37 WeakPolarHBondContact CE1-O 3.28Å; Y13-M37 VanDerWaalsContact CZ-O 3.29Å; Y13-M37 PolarHBondContact OH-O 3.22Å; Y13-L39 HydrophobicContact CE2-CD1 4.36Å; Y13-L39 HydrophobicContact CE2-CG 4.49Å; Y13-L39 PolarHBondContact OH-N 3.33Å; Y13-F71 HydrophobicContact CE1-CE1 4.09Å; Y13-I193 HydrophobicContact CD2-CD1 3.76Å; Y13-I193 HydrophobicContact CG-CD1 4.23Å; Y13-P264 WeakPolarHBondContact O-CB 3.37Å; Y13-P264 WeakPolarHBondContact O-CG 3.44Å
14C92.5Very high90.9Very high0 Ų035 Ų350%018%0.179CC..THydrogen-bonded Turntrans-118.5-49.1-177.3-58.90000114.4S10 L19 I261 P264S10-C14 WeakPolarHBondContact O-CA 3.16Å; S10-C14 WeakPolarHBondContact O-CB 3.08Å; S10-C14 PolarHBondContact O-N 3.46Å; C14-L19 VanDerWaalsContact C-CD2 3.42Å; C14-L19 WeakPolarHBondContact O-CD2 3.29Å; C14-I261 HydrophobicContact CB-CD1 4.13Å; C14-P264 HydrophobicContact CB-CG 4.12Å
15H90.2Very high92.1Very high92 Ų9228.8 Ų28.843%0.42616%0.159SC..SBendtrans-149.822.9-172.158.367.9000113.3S10 I261S10-H15 WeakPolarHBondContact CB-NE2 3.43Å; S10-H15 PolarHBondContact O-N 3.31Å; H15-I261 HydrophobicContact CB-CD1 3.78Å; H15-I261 HydrophobicContact CB-CG2 4.03Å
16G93.9Very high93.1Very high6 Ų632.6 Ų32.66%0.06218%0.176CC..SBendtrans-99.7173.4-175.800000115Q11 I18 L19 D20Q11-G16 VanDerWaalsContact O-CA 3.24Å; Q11-G16 WeakPolarHBondContact O-CA 3.09Å; G16-I18 VanDerWaalsContact C-N 3.32Å; G16-I18 PolarHBondContact O-N 3.03Å; G16-L19 PolarHBondContact O-N 2.77Å; G16-D20 PolarHBondContact O-N 2.66Å; G16-D20 VanDerWaalsContact O-N 3.12Å
17P95.6Very high94Very high56 Ų5632.1 Ų32.136%0.36417%0.172SC..Hα-helixtrans-69.7-28.8-17230.6-37.2000112.9A21 L47 F50P17-A21 WeakPolarHBondContact O-CB 3.39Å; P17-A21 PolarHBondContact O-N 3.36Å; P17-L47 HydrophobicContact CG-CD2 4.42Å; P17-F50 HydrophobicContact CB-CD1 4.37Å; P17-F50 HydrophobicContact CB-CE1 3.79Å; P17-F50 HydrophobicContact CG-CD1 4.3Å; P17-F50 HydrophobicContact CG-CE1 4.21Å; P17-F50 WeakPolarHBondContact O-CZ 3.4Å
18I97.3Very high94.6Very high0 Ų030.4 Ų30.40%016%0.155CC..Hα-helixtrans-65.8-51.2176.1-52.5-178.9000110.2I12 G16 D20 A21 V22 F34 T46 L47 F50 F66 F71I12-I18 HydrophobicContact CG1-CD1 4.37Å; I12-I18 HydrophobicContact CG2-CD1 4.45Å; G16-I18 VanDerWaalsContact C-N 3.32Å; G16-I18 PolarHBondContact O-N 3.03Å; I18-D20 VanDerWaalsContact C-N 3.33Å; I18-D20 PolarHBondContact O-N 3.29Å; I18-A21 PolarHBondContact O-N 3.34Å; I18-V22 HydrophobicContact CG2-CG2 4.26Å; I18-V22 WeakPolarHBondContact O-CB 3.21Å; I18-V22 VanDerWaalsContact O-CG2 3.31Å; I18-V22 WeakPolarHBondContact O-CG2 3.44Å; I18-V22 PolarHBondContact O-N 3.01Å; I18-F34 HydrophobicContact CB-CZ 4.48Å; I18-F34 HydrophobicContact CG2-CE1 4.3Å; I18-F34 HydrophobicContact CG2-CE2 4.27Å; I18-F34 HydrophobicContact CG2-CZ 3.54Å; I18-T46 HydrophobicContact CD1-CG2 3.97Å; I18-L47 HydrophobicContact CD1-CD2 3.87Å; I18-L47 HydrophobicContact CD1-CG 4.44Å; I18-L47 HydrophobicContact CG1-CD2 4.13Å; I18-F50 HydrophobicContact CB-CD2 4.37Å; I18-F50 HydrophobicContact CB-CE2 4.34Å; I18-F50 HydrophobicContact CD1-CB 4.02Å; I18-F50 HydrophobicContact CD1-CD2 4.44Å; I18-F50 HydrophobicContact CD1-CG 4.21Å; I18-F50 HydrophobicContact CG1-CB 3.94Å; I18-F50 HydrophobicContact CG1-CD1 3.92Å; I18-F50 HydrophobicContact CG1-CD2 3.73Å; I18-F50 HydrophobicContact CG1-CE1 4.35Å; I18-F50 HydrophobicContact CG1-CE2 4.12Å; I18-F50 HydrophobicContact CG1-CG 3.58Å; I18-F50 HydrophobicContact CG1-CZ 4.4Å; I18-F50 HydrophobicContact CG2-CD2 4.34Å; I18-F50 HydrophobicContact CG2-CE2 4.33Å; I18-F66 HydrophobicContact CD1-CE1 4.22Å; I18-F66 HydrophobicContact CD1-CZ 4.23Å; I18-F66 HydrophobicContact CG2-CE1 4.08Å; I18-F71 HydrophobicContact CG2-CE2 4.37Å; I18-F71 HydrophobicContact CG2-CZ 4.25Å
19L97.4Very high94.9Very high0 Ų035.3 Ų35.30%019%0.188CC..Hα-helixtrans-54.1-51.7175.3176.967.9000110.9I12 C14 G16 A21 V22 Q23 F34 V35 P264 Y267I12-L19 WeakPolarHBondContact O-CB 3.5Å; C14-L19 VanDerWaalsContact C-CD2 3.42Å; C14-L19 WeakPolarHBondContact O-CD2 3.29Å; G16-L19 PolarHBondContact O-N 2.77Å; L19-A21 VanDerWaalsContact C-N 3.33Å; L19-A21 PolarHBondContact O-N 3.02Å; L19-V22 PolarHBondContact O-N 3.43Å; L19-Q23 HydrophobicContact CD1-CG 3.57Å; L19-Q23 HydrophobicContact CG-CG 4.11Å; L19-Q23 VanDerWaalsContact O-CB 3.3Å; L19-Q23 WeakPolarHBondContact O-CB 3.35Å; L19-Q23 WeakPolarHBondContact O-CG 3.45Å; L19-Q23 PolarHBondContact O-N 2.89Å; L19-F34 HydrophobicContact CB-CE1 4.35Å; L19-F34 HydrophobicContact CD1-CD1 3.9Å; L19-F34 HydrophobicContact CD1-CE1 4.21Å; L19-V35 HydrophobicContact CD1-CG1 3.66Å; L19-P264 HydrophobicContact CD2-CB 4.15Å; L19-Y267 HydrophobicContact CD2-CD2 3.6Å; L19-Y267 HydrophobicContact CD2-CE2 3.77Å; L19-Y267 HydrophobicContact CD2-CG 4.26Å; L19-Y267 HydrophobicContact CG-CD2 4.09Å; L19-Y267 HydrophobicContact CG-CE2 4.29Å; L19-Y267 HydrophobicContact CG-CG 4.29Å
20D96.5Very high95Very high44 Ų4437.8 Ų37.824%0.23520%0.201CC..Hα-helixtrans-59-44.3-176-16870.6000112G16 I18 K24 Y267G16-D20 PolarHBondContact O-N 2.66Å; G16-D20 VanDerWaalsContact O-N 3.12Å; I18-D20 VanDerWaalsContact C-N 3.33Å; I18-D20 PolarHBondContact O-N 3.29Å; D20-K24 VanDerWaalsContact O-CB 3.28Å; D20-K24 WeakPolarHBondContact O-CB 3.43Å; D20-K24 VanDerWaalsContact O-CG 3.3Å; D20-K24 WeakPolarHBondContact O-CG 3.46Å; D20-K24 PolarHBondContact O-N 2.87Å; D20-K24 WeakPolarHBondContact OD1-CE 3.5Å; D20-K24 IonicContact OD1-NZ 2.69Å; D20-K24 PolarHBondContact OD1-NZ 3.41Å; D20-K24 WeakPolarHBondContact OD2-CD 3.27Å; D20-K24 WeakPolarHBondContact OD2-CE 3.46Å; D20-K24 IonicContact OD2-NZ 3.55Å; D20-K24 PolarHBondContact OD2-NZ 2.95Å; D20-Y267 HydrophobicContact CB-CE1 4.44Å; D20-Y267 WeakPolarHBondContact OD1-CE1 3.26Å; D20-Y267 PolarHBondContact OD1-OH 3.16Å
21A97.1Very high95.2Very high20 Ų2037.5 Ų37.517%0.16520%0.199CC..Hα-helixtrans-65.7-5017800000112.5P17 I18 L19 Q23 K24 S25 F50 V57 L63P17-A21 WeakPolarHBondContact O-CB 3.39Å; P17-A21 PolarHBondContact O-N 3.36Å; I18-A21 PolarHBondContact O-N 3.34Å; L19-A21 VanDerWaalsContact C-N 3.33Å; L19-A21 PolarHBondContact O-N 3.02Å; A21-Q23 VanDerWaalsContact C-N 3.3Å; A21-Q23 PolarHBondContact O-N 3.17Å; A21-K24 PolarHBondContact O-N 3.19Å; A21-S25 WeakPolarHBondContact O-CB 3.45Å; A21-S25 PolarHBondContact O-N 3.15Å; A21-S25 PolarHBondContact O-OG 3.24Å; A21-F50 HydrophobicContact CB-CE2 4.19Å; A21-F50 HydrophobicContact CB-CZ 3.71Å; A21-V57 HydrophobicContact CB-CG2 4.23Å; A21-L63 HydrophobicContact CB-CD1 4.38Å; A21-L63 HydrophobicContact CB-CD2 4.17Å
22V97.6Very high95.4Very high1 Ų133.6 Ų33.61%0.00618%0.181CC..Hα-helixtrans-61.4-41.2-178.4173.60000111.6I18 L19 S25 L27 Y28 F34 L63 V67I18-V22 HydrophobicContact CG2-CG2 4.26Å; I18-V22 WeakPolarHBondContact O-CB 3.21Å; I18-V22 VanDerWaalsContact O-CG2 3.31Å; I18-V22 WeakPolarHBondContact O-CG2 3.44Å; I18-V22 PolarHBondContact O-N 3.01Å; L19-V22 PolarHBondContact O-N 3.43Å; V22-S25 PolarHBondContact O-OG 3.32Å; V22-S25 VanDerWaalsContact O-OG 3.11Å; V22-L27 HydrophobicContact CG1-CB 4.03Å; V22-L27 HydrophobicContact CG1-CD2 4.11Å; V22-L27 PolarHBondContact O-N 2.89Å; V22-Y28 HydrophobicContact CG1-CD2 4.16Å; V22-Y28 HydrophobicContact CG1-CE2 4.19Å; V22-F34 HydrophobicContact CB-CD1 4.24Å; V22-F34 HydrophobicContact CB-CD2 4.27Å; V22-F34 HydrophobicContact CB-CE1 4.47Å; V22-F34 HydrophobicContact CB-CE2 4.49Å; V22-F34 HydrophobicContact CB-CG 4.14Å; V22-F34 HydrophobicContact CG1-CB 3.77Å; V22-F34 HydrophobicContact CG1-CD1 4.12Å; V22-F34 HydrophobicContact CG1-CD2 3.71Å; V22-F34 HydrophobicContact CG1-CE2 4.38Å; V22-F34 HydrophobicContact CG1-CG 3.57Å; V22-F34 HydrophobicContact CG2-CD2 4.13Å; V22-F34 HydrophobicContact CG2-CE1 4.49Å; V22-F34 HydrophobicContact CG2-CE2 3.96Å; V22-F34 HydrophobicContact CG2-CG 4.47Å; V22-F34 HydrophobicContact CG2-CZ 4.16Å; V22-L63 HydrophobicContact CG2-CD1 3.93Å; V22-L63 HydrophobicContact CG2-CD2 4.44Å; V22-L63 HydrophobicContact CG2-CG 4.35Å; V22-V67 HydrophobicContact CG2-CG2 3.63Å
23Q96.9Very high95.4Very high5 Ų536.5 Ų36.52%0.02319%0.194CC..Hα-helixtrans-70.7-52.1179.8-63.7-66.97.200110.6L19 A21 S25 H26 S31 Y267 R268L19-Q23 HydrophobicContact CD1-CG 3.57Å; L19-Q23 HydrophobicContact CG-CG 4.11Å; L19-Q23 VanDerWaalsContact O-CB 3.3Å; L19-Q23 WeakPolarHBondContact O-CB 3.35Å; L19-Q23 WeakPolarHBondContact O-CG 3.45Å; L19-Q23 PolarHBondContact O-N 2.89Å; A21-Q23 VanDerWaalsContact C-N 3.3Å; A21-Q23 PolarHBondContact O-N 3.17Å; Q23-S25 PolarHBondContact O-N 3.36Å; Q23-H26 PolarHBondContact O-N 3.47Å; Q23-S31 PolarHBondContact NE2-O 3.21Å; Q23-S31 PolarHBondContact OE1-OG 2.88Å; Q23-Y267 HydrophobicContact CB-CD1 3.61Å; Q23-Y267 HydrophobicContact CB-CE1 4.33Å; Q23-Y267 HydrophobicContact CB-CG 4.34Å; Q23-Y267 HydrophobicContact CG-CD1 3.84Å; Q23-Y267 HydrophobicContact CG-CG 4.09Å; Q23-R268 HydrophobicContact CB-CG 3.79Å; Q23-R268 WeakPolarHBondContact O-CD 3.44Å; Q23-R268 WeakPolarHBondContact O-CG 3.43Å
24K95.2Very high95.6Very high119 Ų11936.5 Ų36.552%0.51720%0.195SC..Hα-helixtrans-63.8-25-179.2-72.9176.1178163.90114D20 A21 H26D20-K24 VanDerWaalsContact O-CB 3.28Å; D20-K24 WeakPolarHBondContact O-CB 3.43Å; D20-K24 VanDerWaalsContact O-CG 3.3Å; D20-K24 WeakPolarHBondContact O-CG 3.46Å; D20-K24 PolarHBondContact O-N 2.87Å; D20-K24 WeakPolarHBondContact OD1-CE 3.5Å; D20-K24 IonicContact OD1-NZ 2.69Å; D20-K24 PolarHBondContact OD1-NZ 3.41Å; D20-K24 WeakPolarHBondContact OD2-CD 3.27Å; D20-K24 WeakPolarHBondContact OD2-CE 3.46Å; D20-K24 IonicContact OD2-NZ 3.55Å; D20-K24 PolarHBondContact OD2-NZ 2.95Å; A21-K24 PolarHBondContact O-N 3.19Å; K24-H26 PolarHBondContact O-CD2 2.64Å; K24-H26 PolarHBondContact O-N 3.08Å
25S96Very high95.8Very high31 Ų3136.5 Ų36.522%0.21720%0.195CC..THydrogen-bonded Turntrans-78.7-4.6175.974.50000113.9A21 V22 Q23 L27 K60 L63A21-S25 WeakPolarHBondContact O-CB 3.45Å; A21-S25 PolarHBondContact O-N 3.15Å; A21-S25 PolarHBondContact O-OG 3.24Å; V22-S25 PolarHBondContact O-OG 3.32Å; V22-S25 VanDerWaalsContact O-OG 3.11Å; Q23-S25 PolarHBondContact O-N 3.36Å; S25-L27 PolarHBondContact O-N 3.5Å; S25-L27 PolarHBondContact OG-N 3.28Å; S25-K60 VanDerWaalsContact O-CE 3.31Å; S25-K60 WeakPolarHBondContact O-CE 3.46Å; S25-K60 PolarHBondContact O-NZ 3.35Å; S25-L63 WeakPolarHBondContact OG-CD2 3.4Å
26H95.7Very high96.1Very high98 Ų9832.4 Ų32.445%0.45418%0.176SC..THydrogen-bonded Turntrans48.548.1-169.7-61.6-100.9000111.1Q23 K24 Y28 K60Q23-H26 PolarHBondContact O-N 3.47Å; K24-H26 PolarHBondContact O-CD2 2.64Å; K24-H26 PolarHBondContact O-N 3.08Å; H26-Y28 VanDerWaalsContact C-N 3.26Å; H26-Y28 PolarHBondContact O-N 3.49Å; H26-K60 PolarHBondContact O-NZ 2.94Å
27L96.5Very high96.3Very high21 Ų2132.4 Ų32.411%0.1117%0.174CC..  trans-62.7-38.8-177.6-164.863000111.3V22 S25 K60 H64 V67V22-L27 HydrophobicContact CG1-CB 4.03Å; V22-L27 HydrophobicContact CG1-CD2 4.11Å; V22-L27 PolarHBondContact O-N 2.89Å; S25-L27 PolarHBondContact O-N 3.5Å; S25-L27 PolarHBondContact OG-N 3.28Å; L27-K60 HydrophobicContact CD1-CG 3.97Å; L27-H64 HydrophobicContact CD1-CB 3.91Å; L27-V67 HydrophobicContact CD2-CB 4.18Å; L27-V67 HydrophobicContact CD2-CG2 3.83Å
28Y95.7Very high96.4Very high35 Ų3529.9 Ų29.914%0.13716%0.158CC..SBendtrans-121.2148.1176.3-55.7-69.6000110.4V22 H26 H33 F34 M37 V67 R268V22-Y28 HydrophobicContact CG1-CD2 4.16Å; V22-Y28 HydrophobicContact CG1-CE2 4.19Å; H26-Y28 VanDerWaalsContact C-N 3.26Å; H26-Y28 PolarHBondContact O-N 3.49Å; Y28-H33 AromaticContact CD1-CD2 3.41Å; Y28-H33 VanDerWaalsContact CD1-CD2 3.41Å; Y28-H33 WeakPolarHBondContact CD1-CD2 3.31Å; Y28-H33 AromaticContact CD1-CG 3.99Å; Y28-H33 AromaticContact CD1-NE2 3.73Å; Y28-H33 HydrophobicContact CD2-CB 4.4Å; Y28-H33 AromaticContact CD2-CD2 3.7Å; Y28-H33 AromaticContact CE1-CD2 3.63Å; Y28-H33 AromaticContact CE1-NE2 3.66Å; Y28-H33 AromaticContact CE2-CD2 3.88Å; Y28-H33 HydrophobicContact CG-CB 4.04Å; Y28-H33 AromaticContact CG-CD2 3.45Å; Y28-H33 VanDerWaalsContact CG-CD2 3.45Å; Y28-H33 AromaticContact CG-CG 3.84Å; Y28-H33 AromaticContact CZ-CD2 3.85Å; Y28-F34 HydrophobicContact CD2-CB 4.16Å; Y28-F34 HydrophobicContact CE2-CB 4.36Å; Y28-M37 HydrophobicContact CE2-SD 4.1Å; Y28-V67 HydrophobicContact CE2-CG1 4.29Å; Y28-V67 VanDerWaalsContact OH-CG1 3.25Å; Y28-V67 WeakPolarHBondContact OH-CG1 3.46Å; Y28-R268 PolarHBondContact O-NH1 2.96Å
29P93.6Very high96.4Very high123 Ų12330.1 Ų30.180%0.79916%0.159SC*.SBendtrans-65.8-38.7-179.825.3-33.5000112.6R268P29-R268 PolarHBondContact O-NH2 2.87Å
30D93.5Very high96.4Very high52 Ų5234.7 Ų34.728%0.27818%0.179SC..SBendtrans-98.6123.9178.3-177.1-9.6000110.2K32 H33 R145D30-K32 PolarHBondContact O-N 3.1Å; D30-K32 WeakPolarHBondContact OD1-CB 3.43Å; D30-K32 PolarHBondContact OD1-N 3.33Å; D30-H33 VanDerWaalsContact O-CB 3.22Å; D30-H33 WeakPolarHBondContact O-CB 3.33Å; D30-H33 PolarHBondContact O-N 3.42Å; D30-R145 IonicContact OD1-CZ 3.63Å; D30-R145 IonicContact OD1-NE 3.31Å; D30-R145 IonicContact OD1-NH2 2.99Å; D30-R145 PolarHBondContact OD1-NH2 2.96Å; D30-R145 IonicContact OD2-CZ 3.74Å; D30-R145 IonicContact OD2-NE 3.39Å; D30-R145 PolarHBondContact OD2-NE 3.41Å; D30-R145 IonicContact OD2-NH2 2.83Å; D30-R145 PolarHBondContact OD2-NH2 2.64Å
31S95.4Very high96.3Very high0 Ų035.7 Ų35.70%018%0.182CC..THydrogen-bonded Turntrans-56.9-29.1176.5-69.10000112.6Q23 H33 E265 R268 E269Q23-S31 PolarHBondContact NE2-O 3.21Å; Q23-S31 PolarHBondContact OE1-OG 2.88Å; S31-H33 VanDerWaalsContact C-N 3.26Å; S31-H33 PolarHBondContact O-N 3.42Å; S31-E265 CarbonylContact C-O 3.54Å; S31-E265 VanDerWaalsContact CB-O 3.23Å; S31-E265 WeakPolarHBondContact CB-O 3.4Å; S31-R268 VanDerWaalsContact OG-CZ 3.29Å; S31-R268 PolarHBondContact OG-NE 3.27Å; S31-R268 PolarHBondContact OG-NH2 3.45Å; S31-E269 WeakPolarHBondContact CB-OE2 3.23Å; S31-E269 VanDerWaalsContact OG-CD 3.3Å; S31-E269 PolarHBondContact OG-OE1 3.26Å; S31-E269 VanDerWaalsContact OG-OE1 3.12Å; S31-E269 PolarHBondContact OG-OE2 2.89Å
32K96.2Very high96.2Very high2 Ų238 Ų381%0.00919%0.192CC..Hα-helixtrans-70.9-20.4177.5-169.6170.9-170.6-67.90113.4D30 F34 V35 D36 R145 E148 Y150 E265D30-K32 PolarHBondContact O-N 3.1Å; D30-K32 WeakPolarHBondContact OD1-CB 3.43Å; D30-K32 PolarHBondContact OD1-N 3.33Å; K32-F34 PolarHBondContact O-N 2.98Å; K32-V35 HydrophobicContact CG-CG2 4.28Å; K32-V35 WeakPolarHBondContact O-CG2 3.38Å; K32-V35 PolarHBondContact O-N 2.98Å; K32-D36 IonicContact NZ-OD1 3.95Å; K32-D36 PolarHBondContact NZ-OD1 3.49Å; K32-D36 IonicContact NZ-OD2 3.17Å; K32-D36 PolarHBondContact NZ-OD2 3.42Å; K32-D36 PolarHBondContact O-N 3.26Å; K32-R145 PolarHBondContact NZ-O 3.14Å; K32-E148 VanDerWaalsContact CE-OE1 3.31Å; K32-E148 WeakPolarHBondContact CE-OE1 3.32Å; K32-E148 IonicContact NZ-OE1 2.87Å; K32-E148 PolarHBondContact NZ-OE1 2.88Å; K32-E148 IonicContact NZ-OE2 3.62Å; K32-E148 PolarHBondContact NZ-OE2 3.34Å; K32-Y150 WeakPolarHBondContact CE-OH 3.37Å; K32-E265 HydrophobicContact CB-CB 4.13Å; K32-E265 HydrophobicContact CD-CB 4.4Å; K32-E265 HydrophobicContact CG-CB 4.05Å; K32-E265 PolarHBondContact N-O 2.91Å; K32-E265 VanDerWaalsContact N-O 3.14Å
33H96.5Very high96.1Very high61 Ų6137.9 Ų37.928%0.28219%0.191SC..Hα-helixtrans-57.6-50.2-176.6-170.196.6000111.9Y28 D30 S31 D36 M37 P74Y28-H33 AromaticContact CD1-CD2 3.41Å; Y28-H33 VanDerWaalsContact CD1-CD2 3.41Å; Y28-H33 WeakPolarHBondContact CD1-CD2 3.31Å; Y28-H33 AromaticContact CD1-CG 3.99Å; Y28-H33 AromaticContact CD1-NE2 3.73Å; Y28-H33 HydrophobicContact CD2-CB 4.4Å; Y28-H33 AromaticContact CD2-CD2 3.7Å; Y28-H33 AromaticContact CE1-CD2 3.63Å; Y28-H33 AromaticContact CE1-NE2 3.66Å; Y28-H33 AromaticContact CE2-CD2 3.88Å; Y28-H33 HydrophobicContact CG-CB 4.04Å; Y28-H33 AromaticContact CG-CD2 3.45Å; Y28-H33 VanDerWaalsContact CG-CD2 3.45Å; Y28-H33 AromaticContact CG-CG 3.84Å; Y28-H33 AromaticContact CZ-CD2 3.85Å; D30-H33 VanDerWaalsContact O-CB 3.22Å; D30-H33 WeakPolarHBondContact O-CB 3.33Å; D30-H33 PolarHBondContact O-N 3.42Å; S31-H33 VanDerWaalsContact C-N 3.26Å; S31-H33 PolarHBondContact O-N 3.42Å; H33-D36 PolarHBondContact O-N 3.47Å; H33-M37 WeakPolarHBondContact O-CG 3.45Å; H33-P74 WeakPolarHBondContact O-CG 3.43Å
34F97.7Very high96Very high1 Ų140.2 Ų40.20%0.00421%0.206CC..Hα-helixtrans-68.7-42.9-176.7175.1-108.8000112.4I18 L19 V22 Y28 K32 D36 M37 V67 F71I18-F34 HydrophobicContact CB-CZ 4.48Å; I18-F34 HydrophobicContact CG2-CE1 4.3Å; I18-F34 HydrophobicContact CG2-CE2 4.27Å; I18-F34 HydrophobicContact CG2-CZ 3.54Å; L19-F34 HydrophobicContact CB-CE1 4.35Å; L19-F34 HydrophobicContact CD1-CD1 3.9Å; L19-F34 HydrophobicContact CD1-CE1 4.21Å; V22-F34 HydrophobicContact CB-CD1 4.24Å; V22-F34 HydrophobicContact CB-CD2 4.27Å; V22-F34 HydrophobicContact CB-CE1 4.47Å; V22-F34 HydrophobicContact CB-CE2 4.49Å; V22-F34 HydrophobicContact CB-CG 4.14Å; V22-F34 HydrophobicContact CG1-CB 3.77Å; V22-F34 HydrophobicContact CG1-CD1 4.12Å; V22-F34 HydrophobicContact CG1-CD2 3.71Å; V22-F34 HydrophobicContact CG1-CE2 4.38Å; V22-F34 HydrophobicContact CG1-CG 3.57Å; V22-F34 HydrophobicContact CG2-CD2 4.13Å; V22-F34 HydrophobicContact CG2-CE1 4.49Å; V22-F34 HydrophobicContact CG2-CE2 3.96Å; V22-F34 HydrophobicContact CG2-CG 4.47Å; V22-F34 HydrophobicContact CG2-CZ 4.16Å; Y28-F34 HydrophobicContact CD2-CB 4.16Å; Y28-F34 HydrophobicContact CE2-CB 4.36Å; K32-F34 PolarHBondContact O-N 2.98Å; F34-D36 PolarHBondContact O-N 2.87Å; F34-M37 HydrophobicContact CD2-SD 3.9Å; F34-M37 WeakPolarHBondContact O-CB 3.42Å; F34-M37 WeakPolarHBondContact O-CG 3.45Å; F34-M37 PolarHBondContact O-N 3.28Å; F34-V67 HydrophobicContact CD2-CG1 4.36Å; F34-V67 HydrophobicContact CE2-CG1 4.37Å; F34-V67 HydrophobicContact CE2-CG2 4.36Å; F34-F71 HydrophobicContact CE2-CD1 4.25Å; F34-F71 HydrophobicContact CE2-CD2 4.32Å; F34-F71 AromaticContact CE2-CE1 4Å; F34-F71 HydrophobicContact CE2-CE1 4Å; F34-F71 HydrophobicContact CE2-CE2 4.1Å; F34-F71 HydrophobicContact CE2-CG 4.4Å; F34-F71 AromaticContact CE2-CZ 3.93Å; F34-F71 HydrophobicContact CE2-CZ 3.93Å; F34-F71 HydrophobicContact CZ-CE1 4.02Å; F34-F71 HydrophobicContact CZ-CE2 4.36Å; F34-F71 AromaticContact CZ-CZ 3.84Å; F34-F71 HydrophobicContact CZ-CZ 3.84Å
35V97.1Very high96Very high0 Ų038.1 Ų38.10%020%0.2CC..Hα-helixtrans-69.5-14.5-177.2-62.20000113.5L19 K32 S131 Y194 P264 E265L19-V35 HydrophobicContact CD1-CG1 3.66Å; K32-V35 HydrophobicContact CG-CG2 4.28Å; K32-V35 WeakPolarHBondContact O-CG2 3.38Å; K32-V35 PolarHBondContact O-N 2.98Å; V35-S131 WeakPolarHBondContact O-CB 3.44Å; V35-S131 PolarHBondContact O-OG 3.37Å; V35-Y194 HydrophobicContact CB-CD1 4.06Å; V35-Y194 HydrophobicContact CB-CE1 3.74Å; V35-Y194 HydrophobicContact CG2-CD1 4.29Å; V35-Y194 HydrophobicContact CG2-CE1 3.67Å; V35-P264 HydrophobicContact CG1-CB 3.85Å; V35-P264 WeakPolarHBondContact CG1-O 3.38Å; V35-E265 HydrophobicContact CG2-CB 4.08Å
36D97.6Very high96.1Very high5 Ų536.7 Ų36.73%0.02719%0.189CC..THydrogen-bonded Turntrans-91.6-7172.9-73.9-2.6000114K32 H33 F34 P74 R192 Y194K32-D36 IonicContact NZ-OD1 3.95Å; K32-D36 PolarHBondContact NZ-OD1 3.49Å; K32-D36 IonicContact NZ-OD2 3.17Å; K32-D36 PolarHBondContact NZ-OD2 3.42Å; K32-D36 PolarHBondContact O-N 3.26Å; H33-D36 PolarHBondContact O-N 3.47Å; F34-D36 PolarHBondContact O-N 2.87Å; D36-P74 HydrophobicContact CB-CB 3.77Å; D36-P74 HydrophobicContact CB-CG 4.17Å; D36-R192 IonicContact OD1-CZ 3.83Å; D36-R192 IonicContact OD1-NE 2.83Å; D36-R192 PolarHBondContact OD1-NE 3.4Å; D36-R192 IonicContact OD1-NH2 3.48Å; D36-Y194 PolarHBondContact OD1-OH 3.45Å
37M97.8Very high96.1Very high7 Ų732.9 Ų32.93%0.03417%0.172CC..PPolyproline II helixtrans-70.7142.1176.3-61.1-175.280.600110.7Y13 Y28 H33 F34 V67 F71 D72 P74Y13-M37 WeakPolarHBondContact CE1-O 3.28Å; Y13-M37 VanDerWaalsContact CZ-O 3.29Å; Y13-M37 PolarHBondContact OH-O 3.22Å; Y28-M37 HydrophobicContact CE2-SD 4.1Å; H33-M37 WeakPolarHBondContact O-CG 3.45Å; F34-M37 HydrophobicContact CD2-SD 3.9Å; F34-M37 WeakPolarHBondContact O-CB 3.42Å; F34-M37 WeakPolarHBondContact O-CG 3.45Å; F34-M37 PolarHBondContact O-N 3.28Å; M37-V67 HydrophobicContact CE-CG1 3.81Å; M37-V67 HydrophobicContact SD-CG1 3.72Å; M37-F71 HydrophobicContact CB-CB 3.97Å; M37-F71 HydrophobicContact CB-CD1 4.02Å; M37-F71 HydrophobicContact CB-CG 4.38Å; M37-F71 HydrophobicContact CE-CB 3.57Å; M37-F71 HydrophobicContact SD-CB 4.12Å; M37-D72 WeakPolarHBondContact CA-O 3.29Å; M37-D72 WeakPolarHBondContact CB-O 2.95Å; M37-P74 HydrophobicContact CG-CG 3.75Å
38A97.3Very high96.1Very high2 Ų237.4 Ų37.42%0.01719%0.193CC..EExtended strand (participates in β ladder)trans-89.6147.5174.200000110.8F71 D72 F130A38-F71 CarbonylContact O-C 3.48Å; A38-F71 WeakPolarHBondContact O-CA 3.45Å; A38-D72 HydrophobicContact CB-CB 4.42Å; A38-D72 PolarHBondContact N-O 2.88Å; A38-D72 PolarHBondContact O-N 3.44Å; A38-F130 HydrophobicContact CB-CD1 3.57Å; A38-F130 HydrophobicContact CB-CE1 3.7Å
39L97.7Very high96.2Very high5 Ų538.8 Ų38.83%0.02620%0.203CC..EExtended strand (participates in β ladder)trans-73.5136.2171.4-72164.1000110.4L9 I12 Y13 Q41 P43 T46 F71 L129L9-L39 HydrophobicContact CD2-CD1 4.04Å; I12-L39 HydrophobicContact CD1-CD1 3.78Å; I12-L39 HydrophobicContact CD1-CD2 4.22Å; Y13-L39 HydrophobicContact CE2-CD1 4.36Å; Y13-L39 HydrophobicContact CE2-CG 4.49Å; Y13-L39 PolarHBondContact OH-N 3.33Å; L39-Q41 WeakPolarHBondContact CB-O 3.37Å; L39-P43 HydrophobicContact CD1-CB 3.83Å; L39-T46 HydrophobicContact CD2-CG2 3.74Å; L39-F71 HydrophobicContact CD2-CD1 3.93Å; L39-F71 HydrophobicContact CD2-CE1 3.34Å; L39-F71 HydrophobicContact CD2-CE2 4.33Å; L39-F71 HydrophobicContact CD2-CZ 3.57Å; L39-F71 HydrophobicContact CG-CD1 4.43Å; L39-F71 HydrophobicContact CG-CE1 4.03Å; L39-L129 HydrophobicContact CB-CB 4.26Å; L39-L129 HydrophobicContact CB-CD2 4.08Å; L39-L129 PolarHBondContact N-O 3.28Å
40K97.1Very high96.4Very high96 Ų9633.7 Ų33.742%0.41717%0.168SC..SBendtrans-78.8-22.7172.5-71.9174170.9169.30113E68 S69 H70 F71 D72K40-E68 PolarHBondContact NZ-O 3.37Å; K40-S69 WeakPolarHBondContact CD-O 3.44Å; K40-H70 WeakPolarHBondContact CB-O 3.43Å; K40-H70 PolarHBondContact N-O 3.37Å; K40-F71 VanDerWaalsContact CE-C 3.5Å; K40-F71 WeakPolarHBondContact CE-O 3.29Å; K40-F71 PolarHBondContact NZ-O 2.99Å; K40-D72 WeakPolarHBondContact CE-OD1 3.48Å; K40-D72 IonicContact NZ-OD1 3.16Å
41Q94Very high96.6Very high65 Ų6537 Ų3730%0.30419%0.185SC..SBendtrans-146.6176.4-174.470-177.832.800111.3L39 I45 T46 D49 H70 L129L39-Q41 WeakPolarHBondContact CB-O 3.37Å; Q41-I45 VanDerWaalsContact NE2-CG2 3.28Å; Q41-T46 WeakPolarHBondContact CG-OG1 3.34Å; Q41-D49 PolarHBondContact NE2-OD2 3.49Å; Q41-H70 PolarHBondContact NE2-CD2 3.31Å; Q41-H70 VanDerWaalsContact NE2-CD2 3.34Å; Q41-L129 VanDerWaalsContact O-CD2 3.24Å; Q41-L129 WeakPolarHBondContact O-CD2 3.31Å
42D94.3Very high96.7Very high68 Ų6841 Ų4136%0.36422%0.218SC..  trans-52.4135.7-176.8-178-85.7000112.8V44 I45 T46D42-V44 VanDerWaalsContact C-N 3.3Å; D42-V44 PolarHBondContact O-N 3.07Å; D42-V44 WeakPolarHBondContact OD1-CA 3.26Å; D42-V44 WeakPolarHBondContact OD1-CB 3.34Å; D42-V44 PolarHBondContact OD1-N 2.92Å; D42-I45 HydrophobicContact CB-CB 4.42Å; D42-I45 HydrophobicContact CB-CD1 4.02Å; D42-I45 HydrophobicContact CB-CG1 4.03Å; D42-I45 PolarHBondContact O-N 3.44Å; D42-I45 PolarHBondContact OD1-N 3.14Å; D42-T46 PolarHBondContact O-N 2.89Å; D42-T46 PolarHBondContact O-OG1 2.85Å
43P95.5Very high96.7Very high0 Ų043.1 Ų43.10%023%0.23CC..Hα-helixtrans-61.3-31.9-178.921.6-34.6000114.1L8 I12 L39 L47L8-P43 HydrophobicContact CD2-CB 4.05Å; L8-P43 HydrophobicContact CD2-CG 3.41Å; L8-P43 VanDerWaalsContact CD2-CG 3.41Å; L8-P43 HydrophobicContact CG-CB 3.93Å; L8-P43 HydrophobicContact CG-CG 3.82Å; I12-P43 HydrophobicContact CD1-CB 3.41Å; I12-P43 VanDerWaalsContact CD1-CB 3.41Å; L39-P43 HydrophobicContact CD1-CB 3.83Å; P43-L47 WeakPolarHBondContact O-CB 3.03Å; P43-L47 WeakPolarHBondContact O-CG 3.41Å; P43-L47 PolarHBondContact O-N 3.28Å
44V95.2Very high96.7Very high53 Ų5342.2 Ų42.232%0.32124%0.237SC..Hα-helixtrans-68.1-45.4176.7-176.50000110.3L8 D42 T46 L47 Q48L8-V44 HydrophobicContact CD1-CG2 4.16Å; L8-V44 HydrophobicContact CD2-CG2 3.92Å; D42-V44 VanDerWaalsContact C-N 3.3Å; D42-V44 PolarHBondContact O-N 3.07Å; D42-V44 WeakPolarHBondContact OD1-CA 3.26Å; D42-V44 WeakPolarHBondContact OD1-CB 3.34Å; D42-V44 PolarHBondContact OD1-N 2.92Å; V44-T46 VanDerWaalsContact C-N 3.33Å; V44-L47 PolarHBondContact O-N 3.3Å; V44-Q48 WeakPolarHBondContact O-CG 3.4Å; V44-Q48 PolarHBondContact O-N 2.93Å
45I96.3Very high96.5Very high76 Ų7649 Ų4939%0.3927%0.273SS..Hα-helixtrans-62.6-45.6177.6-56.5179.9000109.5Q41 D42 L47 Q48 D49Q41-I45 VanDerWaalsContact NE2-CG2 3.28Å; D42-I45 HydrophobicContact CB-CB 4.42Å; D42-I45 HydrophobicContact CB-CD1 4.02Å; D42-I45 HydrophobicContact CB-CG1 4.03Å; D42-I45 PolarHBondContact O-N 3.44Å; D42-I45 PolarHBondContact OD1-N 3.14Å; I45-L47 VanDerWaalsContact C-N 3.31Å; I45-L47 PolarHBondContact O-N 2.93Å; I45-Q48 WeakPolarHBondContact O-CB 3.27Å; I45-Q48 PolarHBondContact O-N 3.37Å; I45-Q48 VanDerWaalsContact O-N 3.08Å; I45-D49 WeakPolarHBondContact O-CB 3.46Å; I45-D49 VanDerWaalsContact O-CG 3.31Å; I45-D49 PolarHBondContact O-N 3.37Å
46T97.2Very high96.5Very high0 Ų052.6 Ų52.60%030%0.295CS..Hα-helixtrans-57.9-42.6177.5-55.80000112.5I18 L39 Q41 D42 V44 F50 F66 H70 F71I18-T46 HydrophobicContact CD1-CG2 3.97Å; L39-T46 HydrophobicContact CD2-CG2 3.74Å; Q41-T46 WeakPolarHBondContact CG-OG1 3.34Å; D42-T46 PolarHBondContact O-N 2.89Å; D42-T46 PolarHBondContact O-OG1 2.85Å; V44-T46 VanDerWaalsContact C-N 3.33Å; T46-F50 WeakPolarHBondContact O-CB 3.48Å; T46-F50 PolarHBondContact O-N 2.99Å; T46-F66 HydrophobicContact CG2-CZ 3.93Å; T46-H70 HydrophobicContact CG2-CB 4.01Å; T46-F71 HydrophobicContact CG2-CE2 4.12Å; T46-F71 HydrophobicContact CG2-CZ 4.12Å
47L96.3Very high96.4Very high18 Ų1853.4 Ų53.49%0.09430%0.3CS..Hα-helixtrans-66.2-40.2175-77.2166.7000112.3L8 Q11 I12 P17 I18 P43 V44 I45 F50 L51L8-L47 HydrophobicContact CD1-CD1 4.28Å; Q11-L47 HydrophobicContact CB-CD1 4.13Å; I12-L47 HydrophobicContact CD1-CD1 4.38Å; I12-L47 HydrophobicContact CD1-CG 4.19Å; I12-L47 HydrophobicContact CG1-CD1 4.09Å; I12-L47 HydrophobicContact CG1-CD2 3.99Å; I12-L47 HydrophobicContact CG1-CG 3.91Å; P17-L47 HydrophobicContact CG-CD2 4.42Å; I18-L47 HydrophobicContact CD1-CD2 3.87Å; I18-L47 HydrophobicContact CD1-CG 4.44Å; I18-L47 HydrophobicContact CG1-CD2 4.13Å; P43-L47 WeakPolarHBondContact O-CB 3.03Å; P43-L47 WeakPolarHBondContact O-CG 3.41Å; P43-L47 PolarHBondContact O-N 3.28Å; V44-L47 PolarHBondContact O-N 3.3Å; I45-L47 VanDerWaalsContact C-N 3.31Å; I45-L47 PolarHBondContact O-N 2.93Å; L47-F50 PolarHBondContact O-N 3.47Å; L47-L51 WeakPolarHBondContact O-CB 3.42Å; L47-L51 VanDerWaalsContact O-CG 3.23Å; L47-L51 WeakPolarHBondContact O-CG 3.31Å; L47-L51 PolarHBondContact O-N 3.13Å
48Q96.8Very high96.2Very high117 Ų11759.5 Ų59.555%0.54733%0.333SS..Hα-helixtrans-64.2-46.2176.8-74.2174.4-5.500111.7V44 I45 F50 L51 A52V44-Q48 WeakPolarHBondContact O-CG 3.4Å; V44-Q48 PolarHBondContact O-N 2.93Å; I45-Q48 WeakPolarHBondContact O-CB 3.27Å; I45-Q48 PolarHBondContact O-N 3.37Å; I45-Q48 VanDerWaalsContact O-N 3.08Å; Q48-F50 VanDerWaalsContact C-N 3.29Å; Q48-F50 PolarHBondContact O-N 3.21Å; Q48-L51 PolarHBondContact O-N 3.42Å; Q48-A52 WeakPolarHBondContact O-CB 2.93Å; Q48-A52 PolarHBondContact O-N 3.02Å
49D97.6Very high96.2Very high64 Ų6463.6 Ų63.634%0.34235%0.354SS..Hα-helixtrans-61.3-40177.9-69.3-19.3000110.7Q41 I45 A52 F66 H70Q41-D49 PolarHBondContact NE2-OD2 3.49Å; I45-D49 WeakPolarHBondContact O-CB 3.46Å; I45-D49 VanDerWaalsContact O-CG 3.31Å; I45-D49 PolarHBondContact O-N 3.37Å; D49-A52 PolarHBondContact O-N 3.36Å; D49-F66 HydrophobicContact CB-CE2 4.09Å; D49-H70 IonicContact OD2-CD2 3.82Å; D49-H70 IonicContact OD2-NE2 3.3Å; D49-H70 PolarHBondContact OD2-NE2 3.05Å; D49-H70 VanDerWaalsContact OD2-NE2 3.17Å
50F97.5Very high96.1Very high15 Ų1567.9 Ų67.97%0.06637%0.373CS..Hα-helixtrans-62.8-48.9173.7-176.3-95.6000112.3P17 I18 A21 T46 L47 Q48 A52 L53 V57 L63 F66P17-F50 HydrophobicContact CB-CD1 4.37Å; P17-F50 HydrophobicContact CB-CE1 3.79Å; P17-F50 HydrophobicContact CG-CD1 4.3Å; P17-F50 HydrophobicContact CG-CE1 4.21Å; P17-F50 WeakPolarHBondContact O-CZ 3.4Å; I18-F50 HydrophobicContact CB-CD2 4.37Å; I18-F50 HydrophobicContact CB-CE2 4.34Å; I18-F50 HydrophobicContact CD1-CB 4.02Å; I18-F50 HydrophobicContact CD1-CD2 4.44Å; I18-F50 HydrophobicContact CD1-CG 4.21Å; I18-F50 HydrophobicContact CG1-CB 3.94Å; I18-F50 HydrophobicContact CG1-CD1 3.92Å; I18-F50 HydrophobicContact CG1-CD2 3.73Å; I18-F50 HydrophobicContact CG1-CE1 4.35Å; I18-F50 HydrophobicContact CG1-CE2 4.12Å; I18-F50 HydrophobicContact CG1-CG 3.58Å; I18-F50 HydrophobicContact CG1-CZ 4.4Å; I18-F50 HydrophobicContact CG2-CD2 4.34Å; I18-F50 HydrophobicContact CG2-CE2 4.33Å; A21-F50 HydrophobicContact CB-CE2 4.19Å; A21-F50 HydrophobicContact CB-CZ 3.71Å; T46-F50 WeakPolarHBondContact O-CB 3.48Å; T46-F50 PolarHBondContact O-N 2.99Å; L47-F50 PolarHBondContact O-N 3.47Å; Q48-F50 VanDerWaalsContact C-N 3.29Å; Q48-F50 PolarHBondContact O-N 3.21Å; F50-A52 PolarHBondContact O-N 2.91Å; F50-L53 HydrophobicContact CD2-CD1 4.5Å; F50-L53 WeakPolarHBondContact O-CB 3.36Å; F50-L53 PolarHBondContact O-N 2.73Å; F50-L53 VanDerWaalsContact O-N 3.08Å; F50-V57 HydrophobicContact CD2-CG2 4.37Å; F50-V57 HydrophobicContact CE2-CG2 3.48Å; F50-V57 VanDerWaalsContact CE2-CG2 3.48Å; F50-V57 HydrophobicContact CZ-CG2 3.6Å; F50-L63 HydrophobicContact CE2-CD1 4.04Å; F50-F66 HydrophobicContact CB-CE1 4.15Å; F50-F66 HydrophobicContact CB-CE2 3.87Å; F50-F66 HydrophobicContact CB-CZ 3.55Å; F50-F66 AromaticContact CD2-CD1 3.88Å; F50-F66 HydrophobicContact CD2-CD1 3.88Å; F50-F66 AromaticContact CD2-CE1 3.59Å; F50-F66 HydrophobicContact CD2-CE1 3.59Å; F50-F66 HydrophobicContact CD2-CE2 4.38Å; F50-F66 HydrophobicContact CD2-CG 4.4Å; F50-F66 AromaticContact CD2-CZ 3.88Å; F50-F66 HydrophobicContact CD2-CZ 3.88Å; F50-F66 HydrophobicContact CE2-CE1 4.49Å; F50-F66 HydrophobicContact CG-CE1 4.34Å; F50-F66 HydrophobicContact CG-CZ 4.21Å
51L96.4Very high96.1Very high121 Ų12169 Ų6963%0.63438%0.379SS*.Hα-helixtrans-62.3-30.9179.8-70.3171.4000111.8L47 Q48 L53 G54L47-L51 WeakPolarHBondContact O-CB 3.42Å; L47-L51 VanDerWaalsContact O-CG 3.23Å; L47-L51 WeakPolarHBondContact O-CG 3.31Å; L47-L51 PolarHBondContact O-N 3.13Å; Q48-L51 PolarHBondContact O-N 3.42Å; L51-L53 PolarHBondContact O-N 2.92Å; L51-G54 PolarHBondContact O-N 3.06Å
52A97.7Very high96.3Very high86 Ų8667.9 Ų67.971%0.71138%0.377SS*.Hα-helixtrans-67.6-19.4176.600000113.7Q48 D49 F50 G54Q48-A52 WeakPolarHBondContact O-CB 2.93Å; Q48-A52 PolarHBondContact O-N 3.02Å; D49-A52 PolarHBondContact O-N 3.36Å; F50-A52 PolarHBondContact O-N 2.91Å; A52-G54 VanDerWaalsContact C-N 3.27Å; A52-G54 PolarHBondContact O-N 3Å
53L97.1Very high96.5Very high46 Ų4664.7 Ų64.724%0.24136%0.36CS..THydrogen-bonded Turntrans-68.4-26.3173.3-62.1175000112.5F50 L51 D55 T56 V57 V62 F66F50-L53 HydrophobicContact CD2-CD1 4.5Å; F50-L53 WeakPolarHBondContact O-CB 3.36Å; F50-L53 PolarHBondContact O-N 2.73Å; F50-L53 VanDerWaalsContact O-N 3.08Å; L51-L53 PolarHBondContact O-N 2.92Å; L53-D55 PolarHBondContact O-N 3.21Å; L53-T56 WeakPolarHBondContact O-CB 3.41Å; L53-T56 PolarHBondContact O-N 3.11Å; L53-T56 PolarHBondContact O-OG1 3.33Å; L53-V57 HydrophobicContact CB-CB 4.45Å; L53-V62 HydrophobicContact CD1-CG1 4.44Å; L53-V62 HydrophobicContact CD2-CG1 4.17Å; L53-F66 HydrophobicContact CD1-CB 3.88Å; L53-F66 HydrophobicContact CD1-CD2 3.73Å; L53-F66 HydrophobicContact CD1-CG 3.87Å
54G95.6Very high96.6Very high42 Ų4267.5 Ų67.543%0.43337%0.373SS..G310 helixtrans52.7-137.7-176.200000112.3L51 A52 T56 V57L51-G54 PolarHBondContact O-N 3.06Å; A52-G54 VanDerWaalsContact C-N 3.27Å; A52-G54 PolarHBondContact O-N 3Å; G54-T56 PolarHBondContact O-N 3.36Å; G54-T56 VanDerWaalsContact O-N 3.15Å; G54-V57 VanDerWaalsContact O-CG1 3.27Å; G54-V57 WeakPolarHBondContact O-CG1 3.38Å; G54-V57 PolarHBondContact O-N 3.43Å
55D94.7Very high96.7Very high142 Ų14271.3 Ų71.376%0.75939%0.385SS*.G310 helixtrans-66.9-15.3-177-64.4-31.9000114.3L53 V57 N58L53-D55 PolarHBondContact O-N 3.21Å; D55-V57 PolarHBondContact O-N 3.15Å; D55-N58 PolarHBondContact O-N 3.14Å; D55-N58 PolarHBondContact O-ND2 3.5Å
56T96.3Very high96.8Very high77 Ų7768.1 Ų68.147%0.47237%0.369SS..G310 helixtrans-66.7-17.2179.568.20000112.8L53 G54 N58 D59L53-T56 WeakPolarHBondContact O-CB 3.41Å; L53-T56 PolarHBondContact O-N 3.11Å; L53-T56 PolarHBondContact O-OG1 3.33Å; G54-T56 PolarHBondContact O-N 3.36Å; G54-T56 VanDerWaalsContact O-N 3.15Å; T56-N58 PolarHBondContact O-N 3.15Å; T56-N58 VanDerWaalsContact O-N 3.15Å; T56-D59 WeakPolarHBondContact O-CB 3.27Å; T56-D59 PolarHBondContact O-N 2.91Å
57V95.1Very high96.9Very high21 Ų2168.1 Ų68.113%0.12737%0.369CS..G310 helixtrans-61.2-20.4174.976.30000113.5A21 F50 L53 G54 D55 D59 L63A21-V57 HydrophobicContact CB-CG2 4.23Å; F50-V57 HydrophobicContact CD2-CG2 4.37Å; F50-V57 HydrophobicContact CE2-CG2 3.48Å; F50-V57 VanDerWaalsContact CE2-CG2 3.48Å; F50-V57 HydrophobicContact CZ-CG2 3.6Å; L53-V57 HydrophobicContact CB-CB 4.45Å; G54-V57 VanDerWaalsContact O-CG1 3.27Å; G54-V57 WeakPolarHBondContact O-CG1 3.38Å; G54-V57 PolarHBondContact O-N 3.43Å; D55-V57 PolarHBondContact O-N 3.15Å; V57-D59 PolarHBondContact O-N 3.44Å; V57-L63 HydrophobicContact CG2-CB 4.49Å; V57-L63 HydrophobicContact CG2-CD1 3.82Å
58N94.4Very high96.9Very high135 Ų13572.4 Ų72.472%0.72239%0.388SS*.G310 helixtrans-71.6-14.8175.4-62.9-56.2000112.7D55 T56D55-N58 PolarHBondContact O-N 3.14Å; D55-N58 PolarHBondContact O-ND2 3.5Å; T56-N58 PolarHBondContact O-N 3.15Å; T56-N58 VanDerWaalsContact O-N 3.15Å
59D96.7Very high97Very high88 Ų8870 Ų7047%0.47138%0.384SS..SBendtrans-79.5117.3167.5-174.1-25.6000109.5T56 V57 E61 V62 L63T56-D59 WeakPolarHBondContact O-CB 3.27Å; T56-D59 PolarHBondContact O-N 2.91Å; V57-D59 PolarHBondContact O-N 3.44Å; D59-E61 PolarHBondContact O-N 2.65Å; D59-E61 WeakPolarHBondContact OD1-CB 3.39Å; D59-E61 PolarHBondContact OD1-N 2.86Å; D59-V62 HydrophobicContact CB-CB 4.14Å; D59-V62 HydrophobicContact CB-CG2 3.84Å; D59-V62 WeakPolarHBondContact O-CB 3.32Å; D59-V62 PolarHBondContact O-N 2.02Å; D59-V62 VanDerWaalsContact O-N 3.07Å; D59-L63 PolarHBondContact O-N 3.1Å
60K96.2Very high97Very high95 Ų9567.9 Ų67.941%0.41337%0.372SS..Hα-helixtrans-58.5-33.2-177.4-167.5171.7-176.61610112.7S25 H26 L27 H64S25-K60 VanDerWaalsContact O-CE 3.31Å; S25-K60 WeakPolarHBondContact O-CE 3.46Å; S25-K60 PolarHBondContact O-NZ 3.35Å; H26-K60 PolarHBondContact O-NZ 2.94Å; L27-K60 HydrophobicContact CD1-CG 3.97Å; K60-H64 VanDerWaalsContact O-CB 3.31Å; K60-H64 WeakPolarHBondContact O-CB 3.34Å; K60-H64 PolarHBondContact O-N 2.89Å
61E97.3Very high97Very high119 Ų11967.3 Ų67.356%0.55637%0.37SS*.Hα-helixtrans-71.8-36.2177.9-72.5-64.1139.600112D59 K65D59-E61 PolarHBondContact O-N 2.65Å; D59-E61 WeakPolarHBondContact OD1-CB 3.39Å; D59-E61 PolarHBondContact OD1-N 2.86Å; E61-K65 WeakPolarHBondContact O-CG 3.26Å; E61-K65 PolarHBondContact O-N 3.28Å; E61-K65 VanDerWaalsContact O-N 3.1Å
62V98.1Very high97.1Very high43 Ų4364.4 Ų64.426%0.26136%0.355SS..Hα-helixtrans-66.5-47174.9175.70000109.8L53 D59 H64 K65 F66L53-V62 HydrophobicContact CD1-CG1 4.44Å; L53-V62 HydrophobicContact CD2-CG1 4.17Å; D59-V62 HydrophobicContact CB-CB 4.14Å; D59-V62 HydrophobicContact CB-CG2 3.84Å; D59-V62 WeakPolarHBondContact O-CB 3.32Å; D59-V62 PolarHBondContact O-N 2.02Å; D59-V62 VanDerWaalsContact O-N 3.07Å; V62-H64 PolarHBondContact O-N 3.38Å; V62-K65 PolarHBondContact O-N 3.33Å; V62-F66 PolarHBondContact O-N 3.07Å
63L98.2Very high97Very high1 Ų164 Ų641%0.00535%0.345CS..Hα-helixtrans-62.2-41.9176.8-178.957.5000112.1A21 V22 S25 F50 V57 D59 K65 F66 V67A21-L63 HydrophobicContact CB-CD1 4.38Å; A21-L63 HydrophobicContact CB-CD2 4.17Å; V22-L63 HydrophobicContact CG2-CD1 3.93Å; V22-L63 HydrophobicContact CG2-CD2 4.44Å; V22-L63 HydrophobicContact CG2-CG 4.35Å; S25-L63 WeakPolarHBondContact OG-CD2 3.4Å; F50-L63 HydrophobicContact CE2-CD1 4.04Å; V57-L63 HydrophobicContact CG2-CB 4.49Å; V57-L63 HydrophobicContact CG2-CD1 3.82Å; D59-L63 PolarHBondContact O-N 3.1Å; L63-K65 PolarHBondContact O-N 2.99Å; L63-F66 WeakPolarHBondContact O-CB 3.43Å; L63-F66 PolarHBondContact O-N 3.01Å; L63-V67 HydrophobicContact CD1-CG2 4.37Å; L63-V67 WeakPolarHBondContact O-CG2 3.48Å; L63-V67 PolarHBondContact O-N 3.49Å
64H97.9Very high97Very high58 Ų5862.4 Ų62.427%0.26934%0.338SS..Hα-helixtrans-57.8-49.4175.7-170-94.1000111.5L27 K60 V62 F66 V67 E68L27-H64 HydrophobicContact CD1-CB 3.91Å; K60-H64 VanDerWaalsContact O-CB 3.31Å; K60-H64 WeakPolarHBondContact O-CB 3.34Å; K60-H64 PolarHBondContact O-N 2.89Å; V62-H64 PolarHBondContact O-N 3.38Å; H64-F66 VanDerWaalsContact C-N 3.31Å; H64-F66 PolarHBondContact O-N 3.23Å; H64-V67 PolarHBondContact O-N 3.49Å; H64-E68 IonicContact CE1-OE1 2.75Å; H64-E68 PolarHBondContact CE1-OE1 3.07Å; H64-E68 IonicContact CE1-OE2 3.58Å; H64-E68 PolarHBondContact CE1-OE2 3.28Å; H64-E68 IonicContact ND1-OE1 3.29Å; H64-E68 IonicContact ND1-OE2 3.42Å; H64-E68 PolarHBondContact ND1-OE2 3.01Å; H64-E68 PolarHBondContact O-N 3.05Å
65K98.1Very high97Very high134 Ų13461.4 Ų61.458%0.58333%0.327SS*.Hα-helixtrans-62.5-37.4177.8-73171.9-175.8170.50112.6E61 V62 L63 S69E61-K65 WeakPolarHBondContact O-CG 3.26Å; E61-K65 PolarHBondContact O-N 3.28Å; E61-K65 VanDerWaalsContact O-N 3.1Å; V62-K65 PolarHBondContact O-N 3.33Å; L63-K65 PolarHBondContact O-N 2.99Å; K65-S69 WeakPolarHBondContact O-CB 3.47Å; K65-S69 PolarHBondContact O-N 3.38Å; K65-S69 PolarHBondContact O-OG 2.92Å
66F98.3Very high97Very high9 Ų956.8 Ų56.84%0.03930%0.304CS..Hα-helixtrans-60.2-50.3173.2174.2-93.1000110.8I18 T46 D49 F50 L53 V62 L63 H64 E68 S69 H70 F71I18-F66 HydrophobicContact CD1-CE1 4.22Å; I18-F66 HydrophobicContact CD1-CZ 4.23Å; I18-F66 HydrophobicContact CG2-CE1 4.08Å; T46-F66 HydrophobicContact CG2-CZ 3.93Å; D49-F66 HydrophobicContact CB-CE2 4.09Å; F50-F66 HydrophobicContact CB-CE1 4.15Å; F50-F66 HydrophobicContact CB-CE2 3.87Å; F50-F66 HydrophobicContact CB-CZ 3.55Å; F50-F66 AromaticContact CD2-CD1 3.88Å; F50-F66 HydrophobicContact CD2-CD1 3.88Å; F50-F66 AromaticContact CD2-CE1 3.59Å; F50-F66 HydrophobicContact CD2-CE1 3.59Å; F50-F66 HydrophobicContact CD2-CE2 4.38Å; F50-F66 HydrophobicContact CD2-CG 4.4Å; F50-F66 AromaticContact CD2-CZ 3.88Å; F50-F66 HydrophobicContact CD2-CZ 3.88Å; F50-F66 HydrophobicContact CE2-CE1 4.49Å; F50-F66 HydrophobicContact CG-CE1 4.34Å; F50-F66 HydrophobicContact CG-CZ 4.21Å; L53-F66 HydrophobicContact CD1-CB 3.88Å; L53-F66 HydrophobicContact CD1-CD2 3.73Å; L53-F66 HydrophobicContact CD1-CG 3.87Å; V62-F66 PolarHBondContact O-N 3.07Å; L63-F66 WeakPolarHBondContact O-CB 3.43Å; L63-F66 PolarHBondContact O-N 3.01Å; H64-F66 VanDerWaalsContact C-N 3.31Å; H64-F66 PolarHBondContact O-N 3.23Å; F66-E68 PolarHBondContact O-N 3.07Å; F66-S69 WeakPolarHBondContact CA-OG 3.5Å; F66-S69 PolarHBondContact O-N 2.7Å; F66-S69 PolarHBondContact O-OG 3.11Å; F66-H70 AromaticContact CD2-CE1 3.6Å; F66-H70 AromaticContact CD2-ND1 3.55Å; F66-H70 AromaticContact CE2-CD2 3.96Å; F66-H70 AromaticContact CE2-CE1 3.48Å; F66-H70 VanDerWaalsContact CE2-CE1 3.48Å; F66-H70 WeakPolarHBondContact CE2-CE1 3.41Å; F66-H70 AromaticContact CE2-CG 3.81Å; F66-H70 AromaticContact CE2-ND1 3.5Å; F66-H70 AromaticContact CE2-NE2 3.76Å; F66-H70 HydrophobicContact CZ-CB 4.35Å; F66-H70 AromaticContact CZ-CG 3.92Å; F66-H70 PolarHBondContact O-N 3.19Å; F66-H70 VanDerWaalsContact O-N 3.1Å; F66-H70 PolarHBondContact O-ND1 3.47Å; F66-F71 HydrophobicContact CE1-CE2 4.04Å
67V98.2Very high97Very high0 Ų053.2 Ų53.20%028%0.282CS..Hα-helixtrans-61.6-46.8179.9175.80000111V22 L27 Y28 F34 M37 L63 H64 S69 H70 F71V22-V67 HydrophobicContact CG2-CG2 3.63Å; L27-V67 HydrophobicContact CD2-CB 4.18Å; L27-V67 HydrophobicContact CD2-CG2 3.83Å; Y28-V67 HydrophobicContact CE2-CG1 4.29Å; Y28-V67 VanDerWaalsContact OH-CG1 3.25Å; Y28-V67 WeakPolarHBondContact OH-CG1 3.46Å; F34-V67 HydrophobicContact CD2-CG1 4.36Å; F34-V67 HydrophobicContact CE2-CG1 4.37Å; F34-V67 HydrophobicContact CE2-CG2 4.36Å; M37-V67 HydrophobicContact CE-CG1 3.81Å; M37-V67 HydrophobicContact SD-CG1 3.72Å; L63-V67 HydrophobicContact CD1-CG2 4.37Å; L63-V67 WeakPolarHBondContact O-CG2 3.48Å; L63-V67 PolarHBondContact O-N 3.49Å; H64-V67 PolarHBondContact O-N 3.49Å; V67-S69 VanDerWaalsContact C-N 3.27Å; V67-S69 PolarHBondContact O-N 3.15Å; V67-H70 PolarHBondContact O-N 2.71Å; V67-F71 HydrophobicContact CG1-CB 4.33Å; V67-F71 HydrophobicContact CG1-CD2 4.19Å; V67-F71 HydrophobicContact CG1-CG 4.5Å; V67-F71 WeakPolarHBondContact O-CB 3.45Å; V67-F71 PolarHBondContact O-N 2.87Å
68E97.3Very high97.1Very high108 Ų10852.9 Ų52.951%0.50528%0.279SS..Hα-helixtrans-61.4-33.8178.5-74.4-172.9134.800113.4K40 H64 F66K40-E68 PolarHBondContact NZ-O 3.37Å; H64-E68 IonicContact CE1-OE1 2.75Å; H64-E68 PolarHBondContact CE1-OE1 3.07Å; H64-E68 IonicContact CE1-OE2 3.58Å; H64-E68 PolarHBondContact CE1-OE2 3.28Å; H64-E68 IonicContact ND1-OE1 3.29Å; H64-E68 IonicContact ND1-OE2 3.42Å; H64-E68 PolarHBondContact ND1-OE2 3.01Å; H64-E68 PolarHBondContact O-N 3.05Å; F66-E68 PolarHBondContact O-N 3.07Å
69S97.8Very high97.1Very high66 Ų6650.5 Ų50.546%0.46226%0.264SS..Hα-helixtrans-78-28179.949.30000113.3K40 K65 F66 V67K40-S69 WeakPolarHBondContact CD-O 3.44Å; K65-S69 WeakPolarHBondContact O-CB 3.47Å; K65-S69 PolarHBondContact O-N 3.38Å; K65-S69 PolarHBondContact O-OG 2.92Å; F66-S69 WeakPolarHBondContact CA-OG 3.5Å; F66-S69 PolarHBondContact O-N 2.7Å; F66-S69 PolarHBondContact O-OG 3.11Å; V67-S69 VanDerWaalsContact C-N 3.27Å; V67-S69 PolarHBondContact O-N 3.15Å
70H98.2Very high97.1Very high20 Ų2050.6 Ų50.69%0.09327%0.268CS..Hα-helixtrans-108.4-16-172.3-66.575.5000114.7K40 Q41 T46 D49 F66 V67K40-H70 WeakPolarHBondContact CB-O 3.43Å; K40-H70 PolarHBondContact N-O 3.37Å; Q41-H70 PolarHBondContact NE2-CD2 3.31Å; Q41-H70 VanDerWaalsContact NE2-CD2 3.34Å; T46-H70 HydrophobicContact CG2-CB 4.01Å; D49-H70 IonicContact OD2-CD2 3.82Å; D49-H70 IonicContact OD2-NE2 3.3Å; D49-H70 PolarHBondContact OD2-NE2 3.05Å; D49-H70 VanDerWaalsContact OD2-NE2 3.17Å; F66-H70 AromaticContact CD2-CE1 3.6Å; F66-H70 AromaticContact CD2-ND1 3.55Å; F66-H70 AromaticContact CE2-CD2 3.96Å; F66-H70 AromaticContact CE2-CE1 3.48Å; F66-H70 VanDerWaalsContact CE2-CE1 3.48Å; F66-H70 WeakPolarHBondContact CE2-CE1 3.41Å; F66-H70 AromaticContact CE2-CG 3.81Å; F66-H70 AromaticContact CE2-ND1 3.5Å; F66-H70 AromaticContact CE2-NE2 3.76Å; F66-H70 HydrophobicContact CZ-CB 4.35Å; F66-H70 AromaticContact CZ-CG 3.92Å; F66-H70 PolarHBondContact O-N 3.19Å; F66-H70 VanDerWaalsContact O-N 3.1Å; F66-H70 PolarHBondContact O-ND1 3.47Å; V67-H70 PolarHBondContact O-N 2.71Å
71F98.3Very high97Very high2 Ų246.7 Ų46.71%0.00925%0.252CS..EExtended strand (participates in β ladder)trans-126141.3-175.5-62.8-98.1000112.1I12 Y13 I18 F34 M37 A38 L39 K40 T46 F66 V67I12-F71 HydrophobicContact CG2-CE1 4Å; I12-F71 HydrophobicContact CG2-CZ 3.94Å; Y13-F71 HydrophobicContact CE1-CE1 4.09Å; I18-F71 HydrophobicContact CG2-CE2 4.37Å; I18-F71 HydrophobicContact CG2-CZ 4.25Å; F34-F71 HydrophobicContact CE2-CD1 4.25Å; F34-F71 HydrophobicContact CE2-CD2 4.32Å; F34-F71 AromaticContact CE2-CE1 4Å; F34-F71 HydrophobicContact CE2-CE1 4Å; F34-F71 HydrophobicContact CE2-CE2 4.1Å; F34-F71 HydrophobicContact CE2-CG 4.4Å; F34-F71 AromaticContact CE2-CZ 3.93Å; F34-F71 HydrophobicContact CE2-CZ 3.93Å; F34-F71 HydrophobicContact CZ-CE1 4.02Å; F34-F71 HydrophobicContact CZ-CE2 4.36Å; F34-F71 AromaticContact CZ-CZ 3.84Å; F34-F71 HydrophobicContact CZ-CZ 3.84Å; M37-F71 HydrophobicContact CB-CB 3.97Å; M37-F71 HydrophobicContact CB-CD1 4.02Å; M37-F71 HydrophobicContact CB-CG 4.38Å; M37-F71 HydrophobicContact CE-CB 3.57Å; M37-F71 HydrophobicContact SD-CB 4.12Å; A38-F71 CarbonylContact O-C 3.48Å; A38-F71 WeakPolarHBondContact O-CA 3.45Å; L39-F71 HydrophobicContact CD2-CD1 3.93Å; L39-F71 HydrophobicContact CD2-CE1 3.34Å; L39-F71 HydrophobicContact CD2-CE2 4.33Å; L39-F71 HydrophobicContact CD2-CZ 3.57Å; L39-F71 HydrophobicContact CG-CD1 4.43Å; L39-F71 HydrophobicContact CG-CE1 4.03Å; K40-F71 VanDerWaalsContact CE-C 3.5Å; K40-F71 WeakPolarHBondContact CE-O 3.29Å; K40-F71 PolarHBondContact NZ-O 2.99Å; T46-F71 HydrophobicContact CG2-CE2 4.12Å; T46-F71 HydrophobicContact CG2-CZ 4.12Å; F66-F71 HydrophobicContact CE1-CE2 4.04Å; V67-F71 HydrophobicContact CG1-CB 4.33Å; V67-F71 HydrophobicContact CG1-CD2 4.19Å; V67-F71 HydrophobicContact CG1-CG 4.5Å; V67-F71 WeakPolarHBondContact O-CB 3.45Å; V67-F71 PolarHBondContact O-N 2.87Å
72D97.6Very high96.9Very high60 Ų6048.5 Ų48.532%0.32126%0.258SS..EExtended strand (participates in β ladder)trans-86.3148.4168.4-81.2-41.3000110.7M37 A38 K40 T76M37-D72 WeakPolarHBondContact CA-O 3.29Å; M37-D72 WeakPolarHBondContact CB-O 2.95Å; A38-D72 HydrophobicContact CB-CB 4.42Å; A38-D72 PolarHBondContact N-O 2.88Å; A38-D72 PolarHBondContact O-N 3.44Å; K40-D72 WeakPolarHBondContact CE-OD1 3.48Å; K40-D72 IonicContact NZ-OD1 3.16Å; D72-T76 HydrophobicContact CB-CG2 4.28Å
73P96.4Very high96.8Very high77 Ų7747.3 Ų47.350%0.525%0.252SS..PPolyproline II helixtrans-54.9151.1177.1-25.334000112.3T76P73-T76 VanDerWaalsContact O-CG2 3.23Å; P73-T76 WeakPolarHBondContact O-CG2 3.31Å; P73-T76 PolarHBondContact O-N 2.94Å; P73-T76 PolarHBondContact O-OG1 3.19Å
74P96.1Very high96.7Very high14 Ų1456.4 Ų56.49%0.09129%0.294CS..THydrogen-bonded Turntrans-56.4143.2179.6-29.439.9000112.7H33 D36 M37 R147H33-P74 WeakPolarHBondContact O-CG 3.43Å; D36-P74 HydrophobicContact CB-CB 3.77Å; D36-P74 HydrophobicContact CB-CG 4.17Å; M37-P74 HydrophobicContact CG-CG 3.75Å; P74-R147 VanDerWaalsContact CB-NH1 3.33Å; P74-R147 PolarHBondContact O-NH1 3.36Å
75G94.9Very high96.6Very high21 Ų2154.9 Ų54.922%0.21629%0.288CS..THydrogen-bonded Turntrans84.82.5175.500000115.3E77 L78G75-E77 VanDerWaalsContact C-OE2 3.28Å; G75-E77 VanDerWaalsContact CA-OE2 3.27Å; G75-E77 WeakPolarHBondContact CA-OE2 3.24Å; G75-E77 PolarHBondContact N-OE2 3.22Å; G75-E77 PolarHBondContact O-N 3.24Å; G75-L78 PolarHBondContact O-N 3.08Å
76T95.4Very high96.6Very high45 Ų4551 Ų5128%0.27627%0.27SS..THydrogen-bonded Turntrans-67.6-19.9173.247.50000112.6D72 P73 L78 R120D72-T76 HydrophobicContact CB-CG2 4.28Å; P73-T76 VanDerWaalsContact O-CG2 3.23Å; P73-T76 WeakPolarHBondContact O-CG2 3.31Å; P73-T76 PolarHBondContact O-N 2.94Å; P73-T76 PolarHBondContact O-OG1 3.19Å; T76-L78 VanDerWaalsContact C-N 3.27Å; T76-L78 PolarHBondContact O-N 3.24Å; T76-R120 WeakPolarHBondContact O-CD 3.45Å; T76-R120 PolarHBondContact O-NE 3.36Å; T76-R120 PolarHBondContact O-NH1 3.3Å; T76-R120 VanDerWaalsContact O-NH1 3.13Å; T76-R120 PolarHBondContact O-NH2 2.89Å
77E95.9Very high96.5Very high2 Ų257.8 Ų57.81%0.00930%0.295CS..THydrogen-bonded Turntrans-80.2-2.3176.169.1-83-166.800114.2G75 R120 V123 F130 L132 R192G75-E77 VanDerWaalsContact C-OE2 3.28Å; G75-E77 VanDerWaalsContact CA-OE2 3.27Å; G75-E77 WeakPolarHBondContact CA-OE2 3.24Å; G75-E77 PolarHBondContact N-OE2 3.22Å; G75-E77 PolarHBondContact O-N 3.24Å; E77-R120 WeakPolarHBondContact O-CB 3.44Å; E77-R120 WeakPolarHBondContact O-CG 3.37Å; E77-R120 PolarHBondContact O-N 2.77Å; E77-R120 VanDerWaalsContact O-N 3.09Å; E77-V123 HydrophobicContact CB-CG2 3.87Å; E77-F130 HydrophobicContact CB-CD1 3.64Å; E77-F130 HydrophobicContact CB-CE1 3.86Å; E77-F130 HydrophobicContact CG-CD1 4.48Å; E77-L132 HydrophobicContact CB-CD2 4.37Å; E77-L132 HydrophobicContact CG-CB 3.84Å; E77-L132 HydrophobicContact CG-CD2 3.47Å; E77-L132 VanDerWaalsContact CG-CD2 3.47Å; E77-L132 HydrophobicContact CG-CG 4.26Å; E77-R192 IonicContact OE1-CZ 2.73Å; E77-R192 VanDerWaalsContact OE1-CZ 3.22Å; E77-R192 IonicContact OE1-NH1 2.74Å; E77-R192 PolarHBondContact OE1-NH1 3.09Å; E77-R192 IonicContact OE1-NH2 2.74Å; E77-R192 PolarHBondContact OE1-NH2 3.37Å
78L97Very high96.4Very high13 Ų1362.1 Ų62.17%0.06832%0.323CS..EExtended strand (participates in β ladder)trans-113.3153.1-179.1-63.4168.1000112G75 T76 R117 V119 R120 L132 F139 R147G75-L78 PolarHBondContact O-N 3.08Å; T76-L78 VanDerWaalsContact C-N 3.27Å; T76-L78 PolarHBondContact O-N 3.24Å; L78-R117 HydrophobicContact CD1-CG 4.41Å; L78-R117 HydrophobicContact CD2-CB 4.28Å; L78-V119 HydrophobicContact CD2-CG2 4.38Å; L78-R120 PolarHBondContact O-NE 3.42Å; L78-L132 HydrophobicContact CD2-CD2 3.52Å; L78-L132 HydrophobicContact CG-CD2 4.12Å; L78-F139 HydrophobicContact CD2-CE1 4.5Å; L78-F139 HydrophobicContact CD2-CZ 4.03Å; L78-R147 HydrophobicContact CD1-CB 3.98Å; L78-R147 WeakPolarHBondContact CD1-O 3.43Å
79E96.1Very high96.2Very high85 Ų8559.5 Ų59.540%0.39732%0.32SS..EExtended strand (participates in β ladder)trans-117.5143.8167.6-71170.7-177.300109.6R117 K118 R120E79-R117 CarbonylContact O-C 3.43Å; E79-R117 VanDerWaalsContact O-CA 3.29Å; E79-R117 WeakPolarHBondContact O-CA 3.24Å; E79-K118 HydrophobicContact CB-CB 4.47Å; E79-K118 PolarHBondContact N-O 3.22Å; E79-K118 PolarHBondContact O-N 3.11Å; E79-R120 HydrophobicContact CG-CG 3.69Å
80V95.6Very high96.1Very high90 Ų9056.4 Ų56.455%0.54530%0.299SS..EExtended strand (participates in β ladder)trans-69.6136.1166.6179.60000108.2
81C95.3Very high95.9Very high14 Ų1464.7 Ų64.710%0.09533%0.329CS..  trans-116.1160174.648.60000113C116 R117 K118 A138C81-C116 HydrophobicContact CB-CB 4.23Å; C81-C116 WeakPolarHBondContact CB-SG 3.47Å; C81-C116 PolarHBondContact N-O 3.16Å; C81-C116 VanDerWaalsContact O-CB 3.29Å; C81-C116 WeakPolarHBondContact O-CB 3.22Å; C81-C116 VanDerWaalsContact SG-CA 3.59Å; C81-C116 WeakPolarHBondContact SG-CB 3.38Å; C81-C116 CovalentContact SG-SG 2.03Å; C81-C116 PolarHBondContact SG-SG 2.88Å; C81-R117 VanDerWaalsContact SG-CA 3.55Å; C81-R117 PolarHBondContact SG-N 3.29Å; C81-R117 PolarHBondContact SG-O 3.43Å; C81-K118 HydrophobicContact CB-CB 4.33Å; C81-A138 HydrophobicContact CB-CB 4.24Å; C81-A138 VanDerWaalsContact SG-CB 3.56Å
82F94.7Very high95.7Very high156 Ų15666.2 Ų66.268%0.68434%0.34SS*.  trans-119.5105.1172.2-64.4-81.9000107.2E84 K113F82-E84 PolarHBondContact O-N 2.74Å; F82-K113 HydrophobicContact CD1-CD 4.42Å
83P96Very high95.6Very high18 Ų1863.5 Ų63.512%0.11733%0.325CS..  trans-58.3129.1-179-22.331.6000111.4D85 W86 C116 M166 T169P83-D85 VanDerWaalsContact C-N 3.28Å; P83-D85 PolarHBondContact O-N 3.1Å; P83-W86 HydrophobicContact CB-CB 4.17Å; P83-W86 WeakPolarHBondContact O-CB 3.12Å; P83-W86 PolarHBondContact O-N 3.4Å; P83-C116 HydrophobicContact CG-CB 4.13Å; P83-C116 VanDerWaalsContact CG-SG 3.57Å; P83-M166 HydrophobicContact CB-CE 3.35Å; P83-M166 HydrophobicContact CG-CE 3.69Å; P83-T169 WeakPolarHBondContact CB-OG1 3.41Å
84E95.1Very high95.5Very high193 Ų19365.3 Ų65.390%0.90233%0.331SS*.THydrogen-bonded Turntrans-67.4-29.9-172.6-63.9-178.4177.400112.9F82F82-E84 PolarHBondContact O-N 2.74Å
85D97.2Very high95.4Very high25 Ų2567.1 Ų67.113%0.13435%0.347CS..THydrogen-bonded Turntrans-88.8-0.9178.459.91.7000113.9P83 R87 M166 F167 S168 T169P83-D85 VanDerWaalsContact C-N 3.28Å; P83-D85 PolarHBondContact O-N 3.1Å; D85-R87 PolarHBondContact O-N 3.47Å; D85-M166 VanDerWaalsContact OD2-CA 3.25Å; D85-M166 WeakPolarHBondContact OD2-CA 3.22Å; D85-F167 PolarHBondContact OD2-N 2.96Å; D85-S168 WeakPolarHBondContact CB-OG 3.08Å; D85-S168 WeakPolarHBondContact OD2-CA 3.14Å; D85-S168 WeakPolarHBondContact OD2-CB 3.48Å; D85-S168 PolarHBondContact OD2-N 3.47Å; D85-S168 PolarHBondContact OD2-OG 2.91Å; D85-T169 PolarHBondContact OD1-OG1 3.47Å; D85-T169 PolarHBondContact OD2-N 2.8Å; D85-T169 PolarHBondContact OD2-OG1 3.3Å
86W97.9Very high95.5Very high52 Ų5266.1 Ų66.120%0.19734%0.337CS..  trans-64.4132178.4-17788000111.3P83 P88 N109 R110 K113 M166P83-W86 HydrophobicContact CB-CB 4.17Å; P83-W86 WeakPolarHBondContact O-CB 3.12Å; P83-W86 PolarHBondContact O-N 3.4Å; W86-P88 VanDerWaalsContact CH2-CA 3.45Å; W86-P88 HydrophobicContact CH2-CB 3.7Å; W86-P88 HydrophobicContact CZ2-CB 4.44Å; W86-P88 HydrophobicContact CZ3-CB 4.1Å; W86-P88 HydrophobicContact CZ3-CG 4.46Å; W86-N109 PolarHBondContact NE1-ND2 2.8Å; W86-N109 PolarHBondContact NE1-O 3.07Å; W86-R110 HydrophobicContact CZ2-CB 4.48Å; W86-K113 HydrophobicContact CD2-CD 3.69Å; W86-K113 HydrophobicContact CD2-CG 4.04Å; W86-K113 HydrophobicContact CE3-CD 3.86Å; W86-K113 HydrophobicContact CG-CD 4.16Å; W86-K113 HydrophobicContact CG-CG 4.03Å; W86-K113 HydrophobicContact CH2-CD 4.31Å; W86-K113 VanDerWaalsContact CH2-NZ 3.27Å; W86-K113 HydrophobicContact CZ2-CD 4.15Å; W86-K113 HydrophobicContact CZ3-CD 4.17Å; W86-M166 HydrophobicContact CB-CE 3.9Å; W86-M166 HydrophobicContact CB-SD 4.4Å; W86-M166 HydrophobicContact CG-CE 4.41Å; W86-M166 HydrophobicContact CG-SD 4.47Å
87R96.5Very high95.6Very high153 Ų15370.6 Ų70.658%0.57735%0.352SS*.  trans-126.9143.6174.1-62179.5-173.8-124.3-0.7109.9D85 A89 N109D85-R87 PolarHBondContact O-N 3.47Å; R87-A89 VanDerWaalsContact C-N 3.28Å; R87-A89 PolarHBondContact O-N 2.7Å; R87-N109 PolarHBondContact O-ND2 2.94Å
88P95.4Very high95.6Very high90 Ų9071.4 Ų71.458%0.58436%0.357SS*.SBendtrans-63.8-32.6-178.923.9-33.3000113.5W86W86-P88 VanDerWaalsContact CH2-CA 3.45Å; W86-P88 HydrophobicContact CH2-CB 3.7Å; W86-P88 HydrophobicContact CZ2-CB 4.44Å; W86-P88 HydrophobicContact CZ3-CB 4.1Å; W86-P88 HydrophobicContact CZ3-CG 4.46Å
89A93.5Very high95.6Very high54 Ų5478.2 Ų78.245%0.44638%0.382SS..SBendtrans-134.28917700000109.4R87R87-A89 VanDerWaalsContact C-N 3.28Å; R87-A89 PolarHBondContact O-N 2.7Å
90P95.4Very high95.6Very high1 Ų177.4 Ų77.41%0.00638%0.379CS..  trans-52.3149.6170.4-2736.6000112S92 F93 S164 D165P90-S92 VanDerWaalsContact C-N 3.33Å; P90-F93 HydrophobicContact CB-CD1 4.29Å; P90-F93 HydrophobicContact CB-CD2 4.4Å; P90-F93 HydrophobicContact CB-CE1 4.36Å; P90-F93 HydrophobicContact CB-CE2 4.46Å; P90-F93 HydrophobicContact CB-CG 4.29Å; P90-F93 HydrophobicContact CB-CZ 4.43Å; P90-F93 HydrophobicContact CG-CD2 4.14Å; P90-F93 HydrophobicContact CG-CE1 4.36Å; P90-F93 HydrophobicContact CG-CE2 3.84Å; P90-F93 HydrophobicContact CG-CZ 3.95Å; P90-F93 PolarHBondContact O-N 3.41Å; P90-S164 WeakPolarHBondContact CB-O 3.38Å; P90-S164 VanDerWaalsContact CG-O 3.26Å; P90-S164 WeakPolarHBondContact CG-O 3.28Å; P90-D165 HydrophobicContact CB-CB 4.36Å
91R94.2Very high95.6Very high193 Ų19373.1 Ų73.173%0.72835%0.353SS*.G310 helixtrans-68.6-37.7-176.4-71179.4176.9171-0.5111.3F93 N94 D165R91-F93 PolarHBondContact O-N 3.26Å; R91-F93 VanDerWaalsContact O-N 3.17Å; R91-N94 VanDerWaalsContact O-CB 3.32Å; R91-N94 WeakPolarHBondContact O-CB 3.24Å; R91-N94 PolarHBondContact O-N 3.25Å; R91-N94 PolarHBondContact O-ND2 3.27Å; R91-D165 PolarHBondContact N-OD2 2.79Å
92S92.7Very high95.7Very high34 Ų3476 Ų7624%0.23836%0.361CS..G310 helixtrans-48.9-35.917456.40000112.8P90 N94 A95 A163P90-S92 VanDerWaalsContact C-N 3.33Å; S92-N94 PolarHBondContact O-N 2.94Å; S92-N94 VanDerWaalsContact O-N 3.15Å; S92-A95 WeakPolarHBondContact O-CB 3.39Å; S92-A95 PolarHBondContact O-N 2.83Å; S92-A95 VanDerWaalsContact O-N 3.17Å; S92-A163 WeakPolarHBondContact CB-O 3.38Å; S92-A163 PolarHBondContact OG-O 3.03Å
93F96.4Very high95.8Very high3 Ų375.1 Ų75.11%0.01335%0.354CS..G310 helixtrans-70.5-12.4-176.8-66.71.5000113.5P90 R91 A95 I96 A105 Q106 N109 A163 L526P90-F93 HydrophobicContact CB-CD1 4.29Å; P90-F93 HydrophobicContact CB-CD2 4.4Å; P90-F93 HydrophobicContact CB-CE1 4.36Å; P90-F93 HydrophobicContact CB-CE2 4.46Å; P90-F93 HydrophobicContact CB-CG 4.29Å; P90-F93 HydrophobicContact CB-CZ 4.43Å; P90-F93 HydrophobicContact CG-CD2 4.14Å; P90-F93 HydrophobicContact CG-CE1 4.36Å; P90-F93 HydrophobicContact CG-CE2 3.84Å; P90-F93 HydrophobicContact CG-CZ 3.95Å; P90-F93 PolarHBondContact O-N 3.41Å; R91-F93 PolarHBondContact O-N 3.26Å; R91-F93 VanDerWaalsContact O-N 3.17Å; F93-A95 PolarHBondContact O-N 3.33Å; F93-I96 HydrophobicContact CB-CD1 4.19Å; F93-I96 HydrophobicContact CD1-CD1 4.27Å; F93-I96 HydrophobicContact CG-CD1 4.27Å; F93-I96 WeakPolarHBondContact O-CB 3.43Å; F93-I96 PolarHBondContact O-N 2.98Å; F93-I96 VanDerWaalsContact O-N 3.1Å; F93-A105 HydrophobicContact CD2-CB 3.89Å; F93-A105 HydrophobicContact CE1-CB 4.49Å; F93-A105 HydrophobicContact CE2-CB 3.84Å; F93-A105 WeakPolarHBondContact CE2-O 3.42Å; F93-A105 HydrophobicContact CG-CB 4.28Å; F93-A105 HydrophobicContact CZ-CB 4.17Å; F93-Q106 HydrophobicContact CD2-CG 4.14Å; F93-N109 HydrophobicContact CE2-CB 3.75Å; F93-N109 HydrophobicContact CZ-CB 4.01Å; F93-A163 VanDerWaalsContact CE1-O 3.25Å; F93-A163 WeakPolarHBondContact CE1-O 3.44Å; F93-L526 HydrophobicContact CE1-CD2 3.99Å; F93-L526 HydrophobicContact CE2-CD2 4.34Å; F93-L526 HydrophobicContact CZ-CD2 3.56Å
94N94.8Very high95.8Very high116 Ų11674.5 Ų74.562%0.6235%0.349SS*.G310 helixtrans-66-20.7173.4-67.1-38000112.8R91 S92 I96R91-N94 VanDerWaalsContact O-CB 3.32Å; R91-N94 WeakPolarHBondContact O-CB 3.24Å; R91-N94 PolarHBondContact O-N 3.25Å; R91-N94 PolarHBondContact O-ND2 3.27Å; S92-N94 PolarHBondContact O-N 2.94Å; S92-N94 VanDerWaalsContact O-N 3.15Å; N94-I96 PolarHBondContact O-N 2.87Å
95A94.2Very high96Very high52 Ų5265.3 Ų65.343%0.4331%0.306SS..G310 helixtrans-68.6-22.8173.300000112.6S92 F93 K97 D534S92-A95 WeakPolarHBondContact O-CB 3.39Å; S92-A95 PolarHBondContact O-N 2.83Å; S92-A95 VanDerWaalsContact O-N 3.17Å; F93-A95 PolarHBondContact O-N 3.33Å; A95-K97 PolarHBondContact O-N 2.88Å; A95-K97 VanDerWaalsContact O-N 3.13Å; A95-D534 WeakPolarHBondContact O-CA 3.3Å; A95-D534 WeakPolarHBondContact O-CB 3.48Å; A95-D534 PolarHBondContact O-N 3.37Å
96I97Very high96Very high0 Ų067.4 Ų67.40%032%0.315CS..  trans-75.8102.4179.9-52.5167.5000109.2F93 N94 L101 R102 A105 L529 G533F93-I96 HydrophobicContact CB-CD1 4.19Å; F93-I96 HydrophobicContact CD1-CD1 4.27Å; F93-I96 HydrophobicContact CG-CD1 4.27Å; F93-I96 WeakPolarHBondContact O-CB 3.43Å; F93-I96 PolarHBondContact O-N 2.98Å; F93-I96 VanDerWaalsContact O-N 3.1Å; N94-I96 PolarHBondContact O-N 2.87Å; I96-L101 HydrophobicContact CG2-CB 3.85Å; I96-R102 HydrophobicContact CB-CB 4.13Å; I96-R102 HydrophobicContact CB-CG 4.26Å; I96-R102 HydrophobicContact CG2-CB 4.01Å; I96-R102 PolarHBondContact O-NE 3.19Å; I96-R102 PolarHBondContact O-NH2 2.7Å; I96-A105 HydrophobicContact CD1-CB 3.65Å; I96-L529 HydrophobicContact CD1-CB 3.88Å; I96-L529 HydrophobicContact CG1-CB 4.33Å; I96-G533 CarbonylContact C-O 3.42Å; I96-G533 WeakPolarHBondContact CA-O 3.48Å
97K95.8Very high95.9Very high139 Ų13966.4 Ų66.460%0.60432%0.315SS*.  trans-70.5-44.3-173.4-74.1-175.9-164.2144.90112.5A95 Y99 R102 G533 D534A95-K97 PolarHBondContact O-N 2.88Å; A95-K97 VanDerWaalsContact O-N 3.13Å; K97-Y99 PolarHBondContact O-N 2.82Å; K97-R102 PolarHBondContact O-NH2 3.13Å; K97-G533 PolarHBondContact N-O 3.44Å; K97-D534 VanDerWaalsContact CD-O 3.27Å; K97-D534 WeakPolarHBondContact CD-O 3.45Å; K97-D534 WeakPolarHBondContact CE-O 3.49Å; K97-D534 PolarHBondContact NZ-O 2.73Å
98D97.4Very high95.9Very high19 Ų1959.1 Ų59.110%0.10229%0.287CS..SBendtrans-65.4128.2179.4-172.9-71.7000110.9E100 L101 R102 T537 A538 S541D98-E100 PolarHBondContact OD1-N 3.04Å; D98-L101 HydrophobicContact CB-CB 4.18Å; D98-L101 HydrophobicContact CB-CD1 4.1Å; D98-L101 HydrophobicContact CB-CG 4.1Å; D98-L101 PolarHBondContact OD1-N 3.25Å; D98-L101 VanDerWaalsContact OD1-N 3.12Å; D98-R102 WeakPolarHBondContact O-CB 3.4Å; D98-R102 PolarHBondContact O-N 2.83Å; D98-T537 WeakPolarHBondContact OD2-CA 3.38Å; D98-A538 VanDerWaalsContact CG-N 3.28Å; D98-A538 WeakPolarHBondContact OD1-CB 3.48Å; D98-A538 PolarHBondContact OD2-N 3.3Å; D98-S541 PolarHBondContact OD2-OG 2.63Å
99Y95.7Very high96Very high155 Ų15554.9 Ų54.961%0.60826%0.26SS*.Hα-helixtrans-65.4-41.6-175170.7-98.4000112.5K97 R102 R103K97-Y99 PolarHBondContact O-N 2.82Å; Y99-R102 PolarHBondContact O-N 3.08Å; Y99-R103 WeakPolarHBondContact O-CB 3.42Å; Y99-R103 PolarHBondContact O-N 2.89Å
100E96.3Very high96.2Very high68 Ų6858.4 Ų58.432%0.31826%0.262SS..Hα-helixtrans-70.6-42.1-177.6-66-57.7150.500110.6D98 R102 R103 W104 A538D98-E100 PolarHBondContact OD1-N 3.04Å; E100-R102 VanDerWaalsContact C-N 3.32Å; E100-R102 PolarHBondContact O-N 3.46Å; E100-R103 PolarHBondContact O-N 3.43Å; E100-W104 WeakPolarHBondContact O-CB 3.45Å; E100-W104 PolarHBondContact O-N 3.06Å; E100-A538 HydrophobicContact CB-CB 3.96Å
101L96.8Very high96.2Very high0 Ų059.7 Ų59.70%027%0.268CS..Hα-helixtrans-64.2-37.8174.9-62.7-175.9000112.2I96 D98 W104 A105 Y482 L529 V536 A538I96-L101 HydrophobicContact CG2-CB 3.85Å; D98-L101 HydrophobicContact CB-CB 4.18Å; D98-L101 HydrophobicContact CB-CD1 4.1Å; D98-L101 HydrophobicContact CB-CG 4.1Å; D98-L101 PolarHBondContact OD1-N 3.25Å; D98-L101 VanDerWaalsContact OD1-N 3.12Å; L101-W104 HydrophobicContact CD2-CE3 4.12Å; L101-W104 PolarHBondContact O-N 3.19Å; L101-A105 PolarHBondContact O-N 3.21Å; L101-Y482 HydrophobicContact CD2-CD2 4.47Å; L101-Y482 HydrophobicContact CD2-CG 4.33Å; L101-L529 HydrophobicContact CB-CD2 4.07Å; L101-L529 HydrophobicContact CD1-CD2 4.17Å; L101-V536 HydrophobicContact CD1-CB 4.34Å; L101-V536 HydrophobicContact CD1-CG1 3.78Å; L101-A538 HydrophobicContact CD2-CB 4.09Å; L101-A538 HydrophobicContact CG-CB 4.05Å
102R97.2Very high96.4Very high74 Ų7450.5 Ų50.528%0.27923%0.233SC..Hα-helixtrans-65.5-40.5175.5-164.9-174.8-37.2173.911.8111.8I96 K97 D98 Y99 E100 W104 A105 Q106I96-R102 HydrophobicContact CB-CB 4.13Å; I96-R102 HydrophobicContact CB-CG 4.26Å; I96-R102 HydrophobicContact CG2-CB 4.01Å; I96-R102 PolarHBondContact O-NE 3.19Å; I96-R102 PolarHBondContact O-NH2 2.7Å; K97-R102 PolarHBondContact O-NH2 3.13Å; D98-R102 WeakPolarHBondContact O-CB 3.4Å; D98-R102 PolarHBondContact O-N 2.83Å; Y99-R102 PolarHBondContact O-N 3.08Å; E100-R102 VanDerWaalsContact C-N 3.32Å; E100-R102 PolarHBondContact O-N 3.46Å; R102-W104 VanDerWaalsContact C-N 3.33Å; R102-A105 PolarHBondContact O-N 2.88Å; R102-Q106 WeakPolarHBondContact O-CG 3.36Å; R102-Q106 PolarHBondContact O-N 3.15Å
103R96.1Very high96.5Very high138 Ų13851.5 Ų51.552%0.52123%0.233SC..Hα-helixtrans-66-36.9174.6-174.9-177.3174.1-158.5-1.5111.7Y99 E100 Q106 T107Y99-R103 WeakPolarHBondContact O-CB 3.42Å; Y99-R103 PolarHBondContact O-N 2.89Å; E100-R103 PolarHBondContact O-N 3.43Å; R103-Q106 PolarHBondContact O-N 3.14Å; R103-T107 PolarHBondContact O-N 2.87Å; R103-T107 PolarHBondContact O-OG1 2.86Å
104W96.8Very high96.4Very high5 Ų556.6 Ų56.62%0.01926%0.257CS..Hα-helixtrans-63.7-47.4173.2-174.837.9000111.2E100 L101 R102 Q106 T107 L108 L478 T481 Y482 Y485 M491 I525 L529E100-W104 WeakPolarHBondContact O-CB 3.45Å; E100-W104 PolarHBondContact O-N 3.06Å; L101-W104 HydrophobicContact CD2-CE3 4.12Å; L101-W104 PolarHBondContact O-N 3.19Å; R102-W104 VanDerWaalsContact C-N 3.33Å; W104-Q106 VanDerWaalsContact C-N 3.31Å; W104-Q106 PolarHBondContact O-N 3.17Å; W104-T107 CarbonylContact O-C 3.59Å; W104-T107 WeakPolarHBondContact O-CA 3.37Å; W104-T107 WeakPolarHBondContact O-CB 3.36Å; W104-T107 PolarHBondContact O-N 3.4Å; W104-L108 HydrophobicContact CD2-CD1 4.34Å; W104-L108 HydrophobicContact CZ2-CD1 4.41Å; W104-L108 WeakPolarHBondContact O-CG 3.5Å; W104-L108 PolarHBondContact O-N 2.64Å; W104-L478 HydrophobicContact CZ3-CD2 4.22Å; W104-T481 WeakPolarHBondContact CH2-OG1 3.45Å; W104-Y482 HydrophobicContact CB-CD2 4.15Å; W104-Y482 HydrophobicContact CB-CE2 3.97Å; W104-Y482 AromaticContact CD2-CD2 3.54Å; W104-Y482 HydrophobicContact CD2-CD2 3.54Å; W104-Y482 HydrophobicContact CD2-CE2 4.25Å; W104-Y482 HydrophobicContact CD2-CG 4.48Å; W104-Y482 AromaticContact CE3-CD2 3.6Å; W104-Y482 HydrophobicContact CE3-CD2 3.6Å; W104-Y482 HydrophobicContact CE3-CE2 4.5Å; W104-Y482 HydrophobicContact CE3-CG 4.19Å; W104-Y482 AromaticContact CG-CD2 3.8Å; W104-Y482 HydrophobicContact CG-CD2 3.8Å; W104-Y482 HydrophobicContact CG-CE2 4.04Å; W104-Y482 HydrophobicContact CZ3-CD2 4.14Å; W104-Y482 HydrophobicContact CZ3-CG 4.33Å; W104-Y485 AromaticContact CD1-CD1 3.57Å; W104-Y485 AromaticContact CD1-CE1 3.69Å; W104-Y485 AromaticContact NE1-CD1 3.44Å; W104-Y485 AromaticContact NE1-CD2 3.91Å; W104-Y485 AromaticContact NE1-CE1 3.95Å; W104-Y485 AromaticContact NE1-CG 3.43Å; W104-M491 HydrophobicContact CZ2-CE 3.84Å; W104-M491 HydrophobicContact CZ2-SD 3.9Å; W104-I525 HydrophobicContact CD2-CG2 4.46Å; W104-I525 HydrophobicContact CE3-CG2 4.04Å; W104-I525 HydrophobicContact CH2-CB 4.43Å; W104-I525 HydrophobicContact CH2-CD1 4.01Å; W104-I525 HydrophobicContact CH2-CG1 4.12Å; W104-I525 HydrophobicContact CH2-CG2 3.47Å; W104-I525 VanDerWaalsContact CH2-CG2 3.47Å; W104-I525 HydrophobicContact CZ2-CG1 4.48Å; W104-I525 HydrophobicContact CZ2-CG2 3.93Å; W104-I525 HydrophobicContact CZ3-CG2 3.53Å; W104-L529 HydrophobicContact CE3-CD1 4.17Å
105A97.9Very high96.5Very high0 Ų051.7 Ų51.70%023%0.231CC..Hα-helixtrans-55.5-43.317400000112.6F93 I96 L101 R102 T107 L108 N109 L526 L529F93-A105 HydrophobicContact CD2-CB 3.89Å; F93-A105 HydrophobicContact CE1-CB 4.49Å; F93-A105 HydrophobicContact CE2-CB 3.84Å; F93-A105 WeakPolarHBondContact CE2-O 3.42Å; F93-A105 HydrophobicContact CG-CB 4.28Å; F93-A105 HydrophobicContact CZ-CB 4.17Å; I96-A105 HydrophobicContact CD1-CB 3.65Å; L101-A105 PolarHBondContact O-N 3.21Å; R102-A105 PolarHBondContact O-N 2.88Å; A105-T107 VanDerWaalsContact C-N 3.28Å; A105-T107 PolarHBondContact O-N 3.26Å; A105-L108 PolarHBondContact O-N 2.91Å; A105-N109 VanDerWaalsContact O-CB 3.28Å; A105-N109 WeakPolarHBondContact O-CB 3.48Å; A105-N109 PolarHBondContact O-N 2.98Å; A105-L526 HydrophobicContact CB-CD2 3.84Å; A105-L529 HydrophobicContact CB-CD1 3.95Å
106Q97.4Very high96.6Very high69 Ų6949.3 Ų49.332%0.32221%0.211SC..Hα-helixtrans-62.7-35.1174.5-71171.2-4.200112.7F93 R102 R103 W104 R110F93-Q106 HydrophobicContact CD2-CG 4.14Å; R102-Q106 WeakPolarHBondContact O-CG 3.36Å; R102-Q106 PolarHBondContact O-N 3.15Å; R103-Q106 PolarHBondContact O-N 3.14Å; W104-Q106 VanDerWaalsContact C-N 3.31Å; W104-Q106 PolarHBondContact O-N 3.17Å; Q106-R110 PolarHBondContact O-N 3.45Å; Q106-R110 VanDerWaalsContact O-N 3.14Å
107T96.2Very high96.7Very high32 Ų3251.9 Ų51.920%0.19622%0.221CC..Hα-helixtrans-68.4-47.9175.2-550000111.3R103 W104 A105 N109 R110 M111 Y485R103-T107 PolarHBondContact O-N 2.87Å; R103-T107 PolarHBondContact O-OG1 2.86Å; W104-T107 CarbonylContact O-C 3.59Å; W104-T107 WeakPolarHBondContact O-CA 3.37Å; W104-T107 WeakPolarHBondContact O-CB 3.36Å; W104-T107 PolarHBondContact O-N 3.4Å; A105-T107 VanDerWaalsContact C-N 3.28Å; A105-T107 PolarHBondContact O-N 3.26Å; T107-N109 VanDerWaalsContact C-N 3.28Å; T107-N109 PolarHBondContact O-N 3.46Å; T107-R110 WeakPolarHBondContact O-CA 3.3Å; T107-R110 VanDerWaalsContact O-CB 3.29Å; T107-R110 WeakPolarHBondContact O-CB 3.29Å; T107-R110 PolarHBondContact O-N 2.89Å; T107-M111 PolarHBondContact O-N 3.42Å; T107-Y485 VanDerWaalsContact CG2-OH 3.26Å; T107-Y485 WeakPolarHBondContact CG2-OH 3.42Å
108L97.2Very high96.8Very high0 Ų049.4 Ų49.40%021%0.21CC..Hα-helixtrans-59.5-40.7175.6-62.6-177.6000111.6W104 A105 R110 M111 M491 I525 L526W104-L108 HydrophobicContact CD2-CD1 4.34Å; W104-L108 HydrophobicContact CZ2-CD1 4.41Å; W104-L108 WeakPolarHBondContact O-CG 3.5Å; W104-L108 PolarHBondContact O-N 2.64Å; A105-L108 PolarHBondContact O-N 2.91Å; L108-R110 VanDerWaalsContact C-N 3.25Å; L108-R110 PolarHBondContact O-N 3.44Å; L108-M111 HydrophobicContact CD2-SD 3.92Å; L108-M111 VanDerWaalsContact O-CB 3.3Å; L108-M111 WeakPolarHBondContact O-CB 3.44Å; L108-M111 PolarHBondContact O-N 2.84Å; L108-M491 HydrophobicContact CD2-CE 4.05Å; L108-M491 HydrophobicContact CD2-CG 3.57Å; L108-M491 HydrophobicContact CD2-SD 3.79Å; L108-I525 HydrophobicContact CD1-CB 3.89Å; L108-I525 HydrophobicContact CD1-CG2 3.46Å; L108-I525 VanDerWaalsContact CD1-CG2 3.46Å; L108-L526 HydrophobicContact CB-CD1 4.22Å; L108-L526 HydrophobicContact CB-CD2 4.1Å; L108-L526 HydrophobicContact CB-CG 4.15Å; L108-L526 HydrophobicContact CD1-CD2 4.39Å; L108-L526 HydrophobicContact CD1-CG 4.32Å
109N97.4Very high96.8Very high0 Ų048.8 Ų48.80%021%0.206CC..Hα-helixtrans-61.1-32.6174.4179.159.7000112.6W86 R87 F93 A105 T107 M111 W112 S164W86-N109 PolarHBondContact NE1-ND2 2.8Å; W86-N109 PolarHBondContact NE1-O 3.07Å; R87-N109 PolarHBondContact O-ND2 2.94Å; F93-N109 HydrophobicContact CE2-CB 3.75Å; F93-N109 HydrophobicContact CZ-CB 4.01Å; A105-N109 VanDerWaalsContact O-CB 3.28Å; A105-N109 WeakPolarHBondContact O-CB 3.48Å; A105-N109 PolarHBondContact O-N 2.98Å; T107-N109 VanDerWaalsContact C-N 3.28Å; T107-N109 PolarHBondContact O-N 3.46Å; N109-M111 VanDerWaalsContact C-N 3.31Å; N109-W112 WeakPolarHBondContact O-CB 3.43Å; N109-W112 PolarHBondContact O-N 3.3Å; N109-S164 VanDerWaalsContact OD1-CB 3.26Å; N109-S164 WeakPolarHBondContact OD1-CB 3.35Å; N109-S164 PolarHBondContact OD1-OG 2.83Å
110R96.6Very high96.9Very high129 Ų12946 Ų4649%0.48720%0.195SC..Hα-helixtrans-65.6-35.5173.2-175.6-177.8-66.8130.21.1111.8W86 Q106 T107 L108 W112 K113W86-R110 HydrophobicContact CZ2-CB 4.48Å; Q106-R110 PolarHBondContact O-N 3.45Å; Q106-R110 VanDerWaalsContact O-N 3.14Å; T107-R110 WeakPolarHBondContact O-CA 3.3Å; T107-R110 VanDerWaalsContact O-CB 3.29Å; T107-R110 WeakPolarHBondContact O-CB 3.29Å; T107-R110 PolarHBondContact O-N 2.89Å; L108-R110 VanDerWaalsContact C-N 3.25Å; L108-R110 PolarHBondContact O-N 3.44Å; R110-W112 PolarHBondContact O-N 2.95Å; R110-K113 WeakPolarHBondContact O-CB 3.47Å; R110-K113 PolarHBondContact O-N 2.87Å
111M96.1Very high96.8Very high28 Ų2848.9 Ų48.914%0.13821%0.206CC..Hα-helixtrans-61.4-24.4180-56.3-176.582.100112.4T107 L108 N109 K113 E114 L115 M491 G517T107-M111 PolarHBondContact O-N 3.42Å; L108-M111 HydrophobicContact CD2-SD 3.92Å; L108-M111 VanDerWaalsContact O-CB 3.3Å; L108-M111 WeakPolarHBondContact O-CB 3.44Å; L108-M111 PolarHBondContact O-N 2.84Å; N109-M111 VanDerWaalsContact C-N 3.31Å; M111-K113 PolarHBondContact O-N 3.27Å; M111-E114 WeakPolarHBondContact O-CB 3.25Å; M111-E114 PolarHBondContact O-N 3.43Å; M111-L115 WeakPolarHBondContact O-CG 3.25Å; M111-L115 PolarHBondContact O-N 2.82Å; M111-M491 HydrophobicContact SD-CG 4.1Å; M111-G517 WeakPolarHBondContact CE-O 3.38Å
112W97.4Very high96.8Very high0 Ų053.6 Ų53.60%023%0.229CC..Hα-helixtrans-56.6-34.4172.1-61.8142.4000113.4N109 R110 L115 C116 I140 I157 L161 S164 M166 G519 N522 L526N109-W112 WeakPolarHBondContact O-CB 3.43Å; N109-W112 PolarHBondContact O-N 3.3Å; R110-W112 PolarHBondContact O-N 2.95Å; W112-L115 HydrophobicContact CE3-CD1 4.37Å; W112-L115 HydrophobicContact CZ3-CD1 4.39Å; W112-C116 WeakPolarHBondContact O-CB 3.47Å; W112-C116 PolarHBondContact O-N 3.47Å; W112-I140 HydrophobicContact CE3-CG1 4.48Å; W112-I140 HydrophobicContact CE3-CG2 3.6Å; W112-I140 HydrophobicContact CZ3-CG2 3.72Å; W112-I140 WeakPolarHBondContact O-CD1 3.3Å; W112-I157 HydrophobicContact CH2-CG2 4.48Å; W112-I157 HydrophobicContact CZ3-CG1 4.38Å; W112-I157 HydrophobicContact CZ3-CG2 4.27Å; W112-L161 HydrophobicContact CB-CD2 4.37Å; W112-L161 HydrophobicContact CD2-CD2 3.93Å; W112-L161 HydrophobicContact CG-CD2 3.84Å; W112-S164 PolarHBondContact NE1-OG 3.04Å; W112-M166 HydrophobicContact CB-SD 4.38Å; W112-M166 HydrophobicContact CG-SD 4.38Å; W112-G519 WeakPolarHBondContact CH2-O 3.47Å; W112-N522 HydrophobicContact CH2-CB 3.69Å; W112-N522 HydrophobicContact CZ2-CB 4.07Å; W112-N522 HydrophobicContact CZ3-CB 4.16Å; W112-L526 HydrophobicContact CZ2-CD1 3.73Å
113K95.2Very high96.8Very high54 Ų5450.1 Ų50.124%0.23522%0.215CC..Hα-helixtrans-70.2-35.4174.4-63.5-173.2-64.3-176.10112.2F82 W86 R110 M111 L115F82-K113 HydrophobicContact CD1-CD 4.42Å; W86-K113 HydrophobicContact CD2-CD 3.69Å; W86-K113 HydrophobicContact CD2-CG 4.04Å; W86-K113 HydrophobicContact CE3-CD 3.86Å; W86-K113 HydrophobicContact CG-CD 4.16Å; W86-K113 HydrophobicContact CG-CG 4.03Å; W86-K113 HydrophobicContact CH2-CD 4.31Å; W86-K113 VanDerWaalsContact CH2-NZ 3.27Å; W86-K113 HydrophobicContact CZ2-CD 4.15Å; W86-K113 HydrophobicContact CZ3-CD 4.17Å; R110-K113 WeakPolarHBondContact O-CB 3.47Å; R110-K113 PolarHBondContact O-N 2.87Å; M111-K113 PolarHBondContact O-N 3.27Å; K113-L115 VanDerWaalsContact C-N 3.33Å
114E94.2Very high96.7Very high111 Ų11149.2 Ų49.252%0.51921%0.212SC..Hα-helixtrans-71.9-32.2-179.5-63.3171.1-161.500111.6M111 R117M111-E114 WeakPolarHBondContact O-CB 3.25Å; M111-E114 PolarHBondContact O-N 3.43Å; E114-R117 PolarHBondContact O-NH1 2.88Å; E114-R117 PolarHBondContact O-NH2 3.43Å; E114-R117 VanDerWaalsContact O-NH2 3.14Å
115L96.8Very high96.6Very high13 Ų1353.1 Ų53.17%0.06823%0.233CC..Hα-helixtrans-91.7-6.5179.2-62.2174.7000113.4M111 W112 K113 R117 I140 I141M111-L115 WeakPolarHBondContact O-CG 3.25Å; M111-L115 PolarHBondContact O-N 2.82Å; W112-L115 HydrophobicContact CE3-CD1 4.37Å; W112-L115 HydrophobicContact CZ3-CD1 4.39Å; K113-L115 VanDerWaalsContact C-N 3.33Å; L115-R117 PolarHBondContact O-N 3.39Å; L115-I140 HydrophobicContact CB-CG2 3.72Å; L115-I140 HydrophobicContact CD1-CG2 4.39Å; L115-I141 HydrophobicContact CB-CG1 4.26Å; L115-I141 HydrophobicContact CD2-CG1 4.04Å; L115-I141 WeakPolarHBondContact O-CG1 3.31Å; L115-I141 PolarHBondContact O-N 3.01Å
116C98Very high96.4Very high2 Ų257.4 Ų57.41%0.01425%0.253CS..EExtended strand (participates in β ladder)trans-71.6123.9179.5-1670000111.2C81 P83 W112 I140C81-C116 HydrophobicContact CB-CB 4.23Å; C81-C116 WeakPolarHBondContact CB-SG 3.47Å; C81-C116 PolarHBondContact N-O 3.16Å; C81-C116 VanDerWaalsContact O-CB 3.29Å; C81-C116 WeakPolarHBondContact O-CB 3.22Å; C81-C116 VanDerWaalsContact SG-CA 3.59Å; C81-C116 WeakPolarHBondContact SG-CB 3.38Å; C81-C116 CovalentContact SG-SG 2.03Å; C81-C116 PolarHBondContact SG-SG 2.88Å; P83-C116 HydrophobicContact CG-CB 4.13Å; P83-C116 VanDerWaalsContact CG-SG 3.57Å; W112-C116 WeakPolarHBondContact O-CB 3.47Å; W112-C116 PolarHBondContact O-N 3.47Å; C116-I140 HydrophobicContact CB-CD1 3.81Å
117R97.7Very high96.2Very high54 Ų5456 Ų5620%0.20425%0.246CC..EExtended strand (participates in β ladder)trans-125.6152.8171.8-61.2-64.8176.5-83.5-6.3111.8L78 E79 C81 E114 L115 A138 F139 I141L78-R117 HydrophobicContact CD1-CG 4.41Å; L78-R117 HydrophobicContact CD2-CB 4.28Å; E79-R117 CarbonylContact O-C 3.43Å; E79-R117 VanDerWaalsContact O-CA 3.29Å; E79-R117 WeakPolarHBondContact O-CA 3.24Å; C81-R117 VanDerWaalsContact SG-CA 3.55Å; C81-R117 PolarHBondContact SG-N 3.29Å; C81-R117 PolarHBondContact SG-O 3.43Å; E114-R117 PolarHBondContact O-NH1 2.88Å; E114-R117 PolarHBondContact O-NH2 3.43Å; E114-R117 VanDerWaalsContact O-NH2 3.14Å; L115-R117 PolarHBondContact O-N 3.39Å; R117-A138 CarbonylContact O-C 3.58Å; R117-A138 WeakPolarHBondContact O-CA 3.37Å; R117-F139 HydrophobicContact CB-CE1 4.38Å; R117-F139 HydrophobicContact CB-CE2 4.27Å; R117-F139 HydrophobicContact CB-CZ 4.05Å; R117-F139 PolarHBondContact N-O 3.47Å; R117-F139 PolarHBondContact O-N 2.98Å; R117-F139 VanDerWaalsContact O-O 3.11Å; R117-I141 HydrophobicContact CB-CG2 4.25Å; R117-I141 HydrophobicContact CG-CD1 4.16Å; R117-I141 HydrophobicContact CG-CG2 3.81Å
118K97.8Very high96.1Very high87 Ų8757 Ų5738%0.37825%0.249SC..EExtended strand (participates in β ladder)trans-128.2135.5170.9-175.1178.8-178.5178.30108.6E79 C81 A138E79-K118 HydrophobicContact CB-CB 4.47Å; E79-K118 PolarHBondContact N-O 3.22Å; E79-K118 PolarHBondContact O-N 3.11Å; C81-K118 HydrophobicContact CB-CB 4.33Å; K118-A138 HydrophobicContact CB-CB 4.47Å
119V98Very high96Very high5 Ų558.4 Ų58.43%0.0326%0.256CS..EExtended strand (participates in β ladder)trans-72.1130.7174-170.10000109.2L78 V123 L132 Y134 V135 F139L78-V119 HydrophobicContact CD2-CG2 4.38Å; V119-V123 HydrophobicContact CG1-CB 3.54Å; V119-V123 HydrophobicContact CG1-CG1 3.86Å; V119-V123 HydrophobicContact CG1-CG2 3.55Å; V119-L132 HydrophobicContact CG1-CD2 3.87Å; V119-L132 HydrophobicContact CG2-CD2 4.06Å; V119-Y134 HydrophobicContact CB-CD2 4.16Å; V119-Y134 HydrophobicContact CG1-CD2 3.89Å; V119-V135 HydrophobicContact CG2-CG2 3.59Å; V119-F139 HydrophobicContact CG2-CE1 3.67Å; V119-F139 HydrophobicContact CG2-CZ 4.32Å
120R97.3Very high96Very high97 Ų9759.5 Ų59.537%0.36626%0.261SS..  trans-59.9148.1174.5-77.2-170.3-172-171.68.5111.5T76 E77 L78 E79 E122 V123T76-R120 WeakPolarHBondContact O-CD 3.45Å; T76-R120 PolarHBondContact O-NE 3.36Å; T76-R120 PolarHBondContact O-NH1 3.3Å; T76-R120 VanDerWaalsContact O-NH1 3.13Å; T76-R120 PolarHBondContact O-NH2 2.89Å; E77-R120 WeakPolarHBondContact O-CB 3.44Å; E77-R120 WeakPolarHBondContact O-CG 3.37Å; E77-R120 PolarHBondContact O-N 2.77Å; E77-R120 VanDerWaalsContact O-N 3.09Å; L78-R120 PolarHBondContact O-NE 3.42Å; E79-R120 HydrophobicContact CG-CG 3.69Å; R120-E122 WeakPolarHBondContact CB-OE2 3.45Å; R120-E122 PolarHBondContact O-N 2.89Å; R120-V123 HydrophobicContact CB-CG2 4.37Å; R120-V123 WeakPolarHBondContact O-CB 3.24Å; R120-V123 PolarHBondContact O-N 2.96Å; R120-V123 VanDerWaalsContact O-N 3.17Å
121K95.8Very high96Very high128 Ų12853.4 Ų53.456%0.55724%0.238SC*.Hα-helixtrans-65.9-28.6-178.7-71.3-179.2-179.7176.40111.7V123 R124 D125K121-V123 PolarHBondContact O-N 3.15Å; K121-R124 WeakPolarHBondContact O-CA 3.41Å; K121-R124 VanDerWaalsContact O-CB 3.27Å; K121-R124 WeakPolarHBondContact O-CB 3.45Å; K121-R124 PolarHBondContact O-N 3.46Å; K121-D125 PolarHBondContact O-N 3Å; K121-D125 VanDerWaalsContact O-N 3.08Å
122E95.8Very high96Very high100 Ų10052.2 Ų52.247%0.46723%0.232SC..Hα-helixtrans-55.9-33.5175.4-67.373.5-167.300111.7R120 R124 D125 H126 F130R120-E122 WeakPolarHBondContact CB-OE2 3.45Å; R120-E122 PolarHBondContact O-N 2.89Å; E122-R124 VanDerWaalsContact C-N 3.31Å; E122-R124 PolarHBondContact O-N 2.85Å; E122-D125 PolarHBondContact O-N 3.3Å; E122-H126 WeakPolarHBondContact O-CA 3.13Å; E122-H126 WeakPolarHBondContact O-CB 3.35Å; E122-H126 PolarHBondContact O-N 3.07Å; E122-F130 HydrophobicContact CB-CZ 4.33Å
123V96.3Very high96Very high0 Ų052.5 Ų52.50%023%0.234CC..Hα-helixtrans-66.1-35175.9-174.20000111.8E77 V119 R120 K121 Q127 F130 L132E77-V123 HydrophobicContact CB-CG2 3.87Å; V119-V123 HydrophobicContact CG1-CB 3.54Å; V119-V123 HydrophobicContact CG1-CG1 3.86Å; V119-V123 HydrophobicContact CG1-CG2 3.55Å; R120-V123 HydrophobicContact CB-CG2 4.37Å; R120-V123 WeakPolarHBondContact O-CB 3.24Å; R120-V123 PolarHBondContact O-N 2.96Å; R120-V123 VanDerWaalsContact O-N 3.17Å; K121-V123 PolarHBondContact O-N 3.15Å; V123-Q127 WeakPolarHBondContact O-CA 3.3Å; V123-Q127 WeakPolarHBondContact O-CB 3.39Å; V123-Q127 PolarHBondContact O-N 3.43Å; V123-Q127 VanDerWaalsContact O-N 3.17Å; V123-F130 HydrophobicContact CB-CD2 4.09Å; V123-F130 HydrophobicContact CB-CE2 4.43Å; V123-F130 HydrophobicContact CB-CG 4.36Å; V123-F130 HydrophobicContact CG1-CB 4.02Å; V123-F130 HydrophobicContact CG1-CD2 4.1Å; V123-F130 HydrophobicContact CG1-CG 4.13Å; V123-F130 HydrophobicContact CG2-CD1 4.09Å; V123-F130 HydrophobicContact CG2-CD2 4.01Å; V123-F130 HydrophobicContact CG2-CE1 4.28Å; V123-F130 HydrophobicContact CG2-CE2 4.2Å; V123-F130 HydrophobicContact CG2-CG 3.96Å; V123-F130 HydrophobicContact CG2-CZ 4.33Å; V123-L132 VanDerWaalsContact CG1-O 3.26Å; V123-L132 WeakPolarHBondContact CG1-O 3.48Å
124R94.2Very high96.1Very high119 Ų11951.4 Ų51.445%0.44923%0.228SC..Hα-helixtrans-69.8-45.3174.5-174.3-166.464.4-160.5-7.2111.1K121 E122 Y134K121-R124 WeakPolarHBondContact O-CA 3.41Å; K121-R124 VanDerWaalsContact O-CB 3.27Å; K121-R124 WeakPolarHBondContact O-CB 3.45Å; K121-R124 PolarHBondContact O-N 3.46Å; E122-R124 VanDerWaalsContact C-N 3.31Å; E122-R124 PolarHBondContact O-N 2.85Å; R124-Y134 HydrophobicContact CB-CD1 3.83Å; R124-Y134 HydrophobicContact CB-CD2 3.6Å; R124-Y134 HydrophobicContact CB-CE1 3.94Å; R124-Y134 HydrophobicContact CB-CE2 3.73Å; R124-Y134 HydrophobicContact CB-CG 3.64Å; R124-Y134 HydrophobicContact CG-CD1 3.78Å; R124-Y134 HydrophobicContact CG-CD2 4.45Å; R124-Y134 HydrophobicContact CG-CE1 3.75Å; R124-Y134 HydrophobicContact CG-CE2 4.44Å; R124-Y134 HydrophobicContact CG-CG 4.12Å
125D94.4Very high96.3Very high87 Ų8746.1 Ų46.147%0.46520%0.204SC..Hα-helixtrans-79.7-24-170.4-60.7-30.7000111.8K121 E122K121-D125 PolarHBondContact O-N 3Å; K121-D125 VanDerWaalsContact O-N 3.08Å; E122-D125 PolarHBondContact O-N 3.3Å
126H94.3Very high96.3Very high91 Ų9148.1 Ų48.142%0.42122%0.217SC..THydrogen-bonded Turntrans-136.751.1-179.4-62.2-66.2000112.5E122 E128 L129 F130E122-H126 WeakPolarHBondContact O-CA 3.13Å; E122-H126 WeakPolarHBondContact O-CB 3.35Å; E122-H126 PolarHBondContact O-N 3.07Å; H126-E128 VanDerWaalsContact C-OE2 3.25Å; H126-E128 WeakPolarHBondContact CA-OE1 3.35Å; H126-E128 WeakPolarHBondContact CA-OE2 3.37Å; H126-E128 IonicContact CG-OE1 2.76Å; H126-E128 IonicContact ND1-OE1 3.57Å; H126-E128 PolarHBondContact ND1-OE1 3.04Å; H126-E128 PolarHBondContact O-N 3.14Å; H126-L129 HydrophobicContact CB-CD1 3.88Å; H126-L129 HydrophobicContact CB-CG 4.14Å; H126-L129 PolarHBondContact O-N 2.9Å; H126-F130 HydrophobicContact CB-CE2 4.28Å; H126-F130 WeakPolarHBondContact O-CD2 3.23Å; H126-F130 WeakPolarHBondContact O-CE2 3.43Å
127Q94Very high96.3Very high38 Ų3850.3 Ų50.318%0.17823%0.229CC..G310 helixtrans-53.3-26.5-177-177.563.181.500113.2V5 L9 V123 L129 F130 L132 Y134V5-Q127 HydrophobicContact CG1-CB 4.44Å; V5-Q127 HydrophobicContact CG1-CG 4.25Å; L9-Q127 WeakPolarHBondContact CD1-O 3.49Å; V123-Q127 WeakPolarHBondContact O-CA 3.3Å; V123-Q127 WeakPolarHBondContact O-CB 3.39Å; V123-Q127 PolarHBondContact O-N 3.43Å; V123-Q127 VanDerWaalsContact O-N 3.17Å; Q127-L129 PolarHBondContact O-N 2.86Å; Q127-F130 PolarHBondContact NE2-O 3.03Å; Q127-F130 PolarHBondContact O-N 3.34Å; Q127-L132 PolarHBondContact NE2-O 3.48Å; Q127-Y134 VanDerWaalsContact OE1-N 3.14Å
128E93.9Very high96.4Very high54 Ų5449.3 Ų49.325%0.25223%0.232SC..G310 helixtrans-64.5-8174.769.6-77.9178.700116.1V5 L9 H126V5-E128 HydrophobicContact CG1-CB 3.8Å; V5-E128 HydrophobicContact CG2-CB 4.3Å; L9-E128 WeakPolarHBondContact CD2-O 3.49Å; H126-E128 VanDerWaalsContact C-OE2 3.25Å; H126-E128 WeakPolarHBondContact CA-OE1 3.35Å; H126-E128 WeakPolarHBondContact CA-OE2 3.37Å; H126-E128 IonicContact CG-OE1 2.76Å; H126-E128 IonicContact ND1-OE1 3.57Å; H126-E128 PolarHBondContact ND1-OE1 3.04Å; H126-E128 PolarHBondContact O-N 3.14Å
129L95.8Very high96.4Very high29 Ų2945.3 Ų45.315%0.15222%0.215CC..G310 helixtrans-101.8-7.8176.9-57.4-178.4000113.2L39 Q41 H126 Q127L39-L129 HydrophobicContact CB-CB 4.26Å; L39-L129 HydrophobicContact CB-CD2 4.08Å; L39-L129 PolarHBondContact N-O 3.28Å; Q41-L129 VanDerWaalsContact O-CD2 3.24Å; Q41-L129 WeakPolarHBondContact O-CD2 3.31Å; H126-L129 HydrophobicContact CB-CD1 3.88Å; H126-L129 HydrophobicContact CB-CG 4.14Å; H126-L129 PolarHBondContact O-N 2.9Å; Q127-L129 PolarHBondContact O-N 2.86Å
130F96.5Very high96.4Very high24 Ų2445.1 Ų45.111%0.10521%0.214CC..  trans-128.8132.7-168.1-54.3-82.2000111.9L9 A38 E77 E122 V123 H126 Q127 L132L9-F130 WeakPolarHBondContact CD1-O 3.26Å; A38-F130 HydrophobicContact CB-CD1 3.57Å; A38-F130 HydrophobicContact CB-CE1 3.7Å; E77-F130 HydrophobicContact CB-CD1 3.64Å; E77-F130 HydrophobicContact CB-CE1 3.86Å; E77-F130 HydrophobicContact CG-CD1 4.48Å; E122-F130 HydrophobicContact CB-CZ 4.33Å; V123-F130 HydrophobicContact CB-CD2 4.09Å; V123-F130 HydrophobicContact CB-CE2 4.43Å; V123-F130 HydrophobicContact CB-CG 4.36Å; V123-F130 HydrophobicContact CG1-CB 4.02Å; V123-F130 HydrophobicContact CG1-CD2 4.1Å; V123-F130 HydrophobicContact CG1-CG 4.13Å; V123-F130 HydrophobicContact CG2-CD1 4.09Å; V123-F130 HydrophobicContact CG2-CD2 4.01Å; V123-F130 HydrophobicContact CG2-CE1 4.28Å; V123-F130 HydrophobicContact CG2-CE2 4.2Å; V123-F130 HydrophobicContact CG2-CG 3.96Å; V123-F130 HydrophobicContact CG2-CZ 4.33Å; H126-F130 HydrophobicContact CB-CE2 4.28Å; H126-F130 WeakPolarHBondContact O-CD2 3.23Å; H126-F130 WeakPolarHBondContact O-CE2 3.43Å; Q127-F130 PolarHBondContact NE2-O 3.03Å; Q127-F130 PolarHBondContact O-N 3.34Å; F130-L132 VanDerWaalsContact C-N 3.25Å
131S96.3Very high96.4Very high1 Ų140.8 Ų40.81%0.00720%0.198CC..SBendtrans-70.8-24.3164.568.20000112.1V35 R192 I193V35-S131 WeakPolarHBondContact O-CB 3.44Å; V35-S131 PolarHBondContact O-OG 3.37Å; S131-R192 CarbonylContact O-C 3.12Å; S131-R192 WeakPolarHBondContact O-CA 3.46Å; S131-R192 WeakPolarHBondContact OG-CD 3.45Å; S131-R192 PolarHBondContact OG-NH1 3.45Å; S131-I193 PolarHBondContact O-N 3.41Å
132L97.4Very high96.4Very high2 Ų234.7 Ų34.71%0.0117%0.171CC..BIsolated β-bridgetrans-69.8131.1175.1-16975.2000110.7E77 L78 V119 V123 Q127 F130 E148 G191E77-L132 HydrophobicContact CB-CD2 4.37Å; E77-L132 HydrophobicContact CG-CB 3.84Å; E77-L132 HydrophobicContact CG-CD2 3.47Å; E77-L132 VanDerWaalsContact CG-CD2 3.47Å; E77-L132 HydrophobicContact CG-CG 4.26Å; L78-L132 HydrophobicContact CD2-CD2 3.52Å; L78-L132 HydrophobicContact CG-CD2 4.12Å; V119-L132 HydrophobicContact CG1-CD2 3.87Å; V119-L132 HydrophobicContact CG2-CD2 4.06Å; V123-L132 VanDerWaalsContact CG1-O 3.26Å; V123-L132 WeakPolarHBondContact CG1-O 3.48Å; Q127-L132 PolarHBondContact NE2-O 3.48Å; F130-L132 VanDerWaalsContact C-N 3.25Å; L132-E148 HydrophobicContact CD1-CB 3.78Å; L132-G191 CarbonylContact C-O 3.58Å; L132-G191 WeakPolarHBondContact CA-O 3.43Å; L132-G191 WeakPolarHBondContact CD1-O 3.43Å
133L96.8Very high96.3Very high7 Ų730 Ų304%0.03715%0.15CC..PPolyproline II helixtrans-81.6132.2174.7-62.1172.7000110.2M180 P188 G191 I193 L196L133-M180 HydrophobicContact CB-CE 3.82Å; L133-M180 HydrophobicContact CB-SD 4.41Å; L133-M180 HydrophobicContact CD1-SD 4.07Å; L133-P188 HydrophobicContact CD1-CG 4.22Å; L133-G191 PolarHBondContact N-O 3.41Å; L133-I193 HydrophobicContact CD2-CG2 3.8Å; L133-L196 HydrophobicContact CD1-CD2 3.71Å; L133-L196 HydrophobicContact CD1-CG 4.14Å; L133-L196 HydrophobicContact CD2-CD1 4.24Å
134Y97.5Very high96Very high30 Ų3032.2 Ų32.212%0.11817%0.172CC..PPolyproline II helixtrans-64136.9175.6179.3-105.9000112.6V119 R124 Q127 P136 Y179 M180V119-Y134 HydrophobicContact CB-CD2 4.16Å; V119-Y134 HydrophobicContact CG1-CD2 3.89Å; R124-Y134 HydrophobicContact CB-CD1 3.83Å; R124-Y134 HydrophobicContact CB-CD2 3.6Å; R124-Y134 HydrophobicContact CB-CE1 3.94Å; R124-Y134 HydrophobicContact CB-CE2 3.73Å; R124-Y134 HydrophobicContact CB-CG 3.64Å; R124-Y134 HydrophobicContact CG-CD1 3.78Å; R124-Y134 HydrophobicContact CG-CD2 4.45Å; R124-Y134 HydrophobicContact CG-CE1 3.75Å; R124-Y134 HydrophobicContact CG-CE2 4.44Å; R124-Y134 HydrophobicContact CG-CG 4.12Å; Q127-Y134 VanDerWaalsContact OE1-N 3.14Å; Y134-P136 HydrophobicContact CE1-CB 4.46Å; Y134-Y179 HydrophobicContact CD1-CE1 4.5Å; Y134-Y179 VanDerWaalsContact O-CE1 3.3Å; Y134-Y179 WeakPolarHBondContact O-CE1 3.48Å; Y134-M180 WeakPolarHBondContact O-CE 3.45Å
135V97.9Very high95.8Very high1 Ų127.9 Ų27.91%0.00616%0.156CC..  trans-132.1145.6165.2-70.40000110.5V119 F139 F149 N176 M180V119-V135 HydrophobicContact CG2-CG2 3.59Å; V135-F139 HydrophobicContact CG2-CD1 3.91Å; V135-F139 HydrophobicContact CG2-CE1 3.99Å; V135-F149 HydrophobicContact CG1-CD1 4.27Å; V135-F149 HydrophobicContact CG1-CE1 3.67Å; V135-F149 HydrophobicContact CG1-CZ 4.45Å; V135-N176 HydrophobicContact CB-CB 3.84Å; V135-N176 HydrophobicContact CG1-CB 3.89Å; V135-N176 HydrophobicContact CG2-CB 4.32Å; V135-M180 HydrophobicContact CG1-CE 3.2Å
136P97.4Very high95.7Very high54 Ų5424.4 Ų24.435%0.35114%0.137SC..SBendtrans-74.8-28.2-170.724.9-32.2000115.2Y134 N176 Y179Y134-P136 HydrophobicContact CE1-CB 4.46Å; P136-N176 WeakPolarHBondContact CD-OD1 3.46Å; P136-Y179 HydrophobicContact CG-CD2 4.24Å; P136-Y179 HydrophobicContact CG-CG 4.38Å
137N98.3Very high95.7Very high49 Ų4924 Ų2426%0.26213%0.132SC..SBendtrans-108.4161.3-175.3-50.9-81.9000112G172 N176N137-G172 WeakPolarHBondContact CB-O 3.3Å; N137-G172 PolarHBondContact ND2-O 3.3Å; N137-N176 WeakPolarHBondContact CA-OD1 3.37Å; N137-N176 VanDerWaalsContact CB-OD1 3.27Å; N137-N176 WeakPolarHBondContact CB-OD1 3.15Å; N137-N176 PolarHBondContact N-OD1 3.15Å; N137-N176 PolarHBondContact ND2-OD1 3.05Å; N137-N176 PolarHBondContact O-ND2 2.84Å
138A98Very high95.8Very high32 Ų3222.2 Ų22.226%0.26412%0.123SC..  trans-60.9154.6165.700000111.4C81 R117 K118C81-A138 HydrophobicContact CB-CB 4.24Å; C81-A138 VanDerWaalsContact SG-CB 3.56Å; R117-A138 CarbonylContact O-C 3.58Å; R117-A138 WeakPolarHBondContact O-CA 3.37Å; K118-A138 HydrophobicContact CB-CB 4.47Å
139F98.3Very high96Very high4 Ų419.8 Ų19.82%0.01811%0.112CC..EExtended strand (participates in β ladder)trans-146.6163178.360.6-81.1000110.8L78 R117 V119 V135 I141 F149 M173L78-F139 HydrophobicContact CD2-CE1 4.5Å; L78-F139 HydrophobicContact CD2-CZ 4.03Å; R117-F139 HydrophobicContact CB-CE1 4.38Å; R117-F139 HydrophobicContact CB-CE2 4.27Å; R117-F139 HydrophobicContact CB-CZ 4.05Å; R117-F139 PolarHBondContact N-O 3.47Å; R117-F139 PolarHBondContact O-N 2.98Å; R117-F139 VanDerWaalsContact O-O 3.11Å; V119-F139 HydrophobicContact CG2-CE1 3.67Å; V119-F139 HydrophobicContact CG2-CZ 4.32Å; V135-F139 HydrophobicContact CG2-CD1 3.91Å; V135-F139 HydrophobicContact CG2-CE1 3.99Å; F139-I141 HydrophobicContact CD2-CG2 4.03Å; F139-I141 HydrophobicContact CE2-CG2 3.55Å; F139-F149 HydrophobicContact CD2-CB 3.86Å; F139-F149 HydrophobicContact CE2-CB 4.23Å; F139-F149 VanDerWaalsContact CE2-N 3.33Å; F139-F149 HydrophobicContact CG-CB 4.44Å; F139-M173 HydrophobicContact CB-CE 4.44Å; F139-M173 HydrophobicContact CB-CG 4.02Å
140I98.3Very high96.1Very high0 Ų019 Ų190%011%0.107CC..EExtended strand (participates in β ladder)trans-99.8128.4174.5-56.4-52.3000108.4W112 L115 C116 I157 L161 M173W112-I140 HydrophobicContact CE3-CG1 4.48Å; W112-I140 HydrophobicContact CE3-CG2 3.6Å; W112-I140 HydrophobicContact CZ3-CG2 3.72Å; W112-I140 WeakPolarHBondContact O-CD1 3.3Å; L115-I140 HydrophobicContact CB-CG2 3.72Å; L115-I140 HydrophobicContact CD1-CG2 4.39Å; C116-I140 HydrophobicContact CB-CD1 3.81Å; I140-I157 HydrophobicContact CB-CG2 3.69Å; I140-I157 HydrophobicContact CG1-CG2 4.14Å; I140-I157 HydrophobicContact CG2-CD1 4.21Å; I140-I157 HydrophobicContact CG2-CG2 3.88Å; I140-L161 HydrophobicContact CG1-CD1 4.03Å; I140-L161 HydrophobicContact CG1-CD2 4.3Å; I140-M173 HydrophobicContact CB-CE 4.07Å; I140-M173 HydrophobicContact CB-SD 4.16Å; I140-M173 HydrophobicContact CG1-CE 4.44Å; I140-M173 HydrophobicContact CG1-SD 3.87Å
141I97.4Very high96.2Very high6 Ų617.9 Ų17.93%0.03110%0.102CC..  trans-84.1160.117466.9-178000111.4L115 R117 F139 F146L115-I141 HydrophobicContact CB-CG1 4.26Å; L115-I141 HydrophobicContact CD2-CG1 4.04Å; L115-I141 WeakPolarHBondContact O-CG1 3.31Å; L115-I141 PolarHBondContact O-N 3.01Å; R117-I141 HydrophobicContact CB-CG2 4.25Å; R117-I141 HydrophobicContact CG-CD1 4.16Å; R117-I141 HydrophobicContact CG-CG2 3.81Å; F139-I141 HydrophobicContact CD2-CG2 4.03Å; F139-I141 HydrophobicContact CE2-CG2 3.55Å; I141-F146 WeakPolarHBondContact CB-O 3.27Å
142P96.6Very high96.3Very high1 Ų118 Ų181%0.00610%0.102CC..  trans-62-49.9171.2-20.231.8000112.5F146 Y150 D153 F518 G519P142-F146 HydrophobicContact CB-CB 4.04Å; P142-F146 HydrophobicContact CB-CD2 4.29Å; P142-F146 HydrophobicContact CB-CG 4.5Å; P142-F146 HydrophobicContact CG-CB 3.94Å; P142-Y150 HydrophobicContact CG-CD2 3.68Å; P142-Y150 HydrophobicContact CG-CG 4.23Å; P142-D153 HydrophobicContact CG-CB 4.25Å; P142-F518 HydrophobicContact CB-CD1 4.25Å; P142-F518 HydrophobicContact CB-CD2 4.39Å; P142-F518 HydrophobicContact CB-CE1 3.59Å; P142-F518 HydrophobicContact CB-CE2 3.78Å; P142-F518 HydrophobicContact CB-CZ 3.34Å; P142-F518 HydrophobicContact CG-CZ 4.45Å; P142-F518 CarbonylContact O-C 3.56Å; P142-F518 VanDerWaalsContact O-CA 3.31Å; P142-F518 WeakPolarHBondContact O-CA 3.5Å; P142-G519 PolarHBondContact O-N 2.98Å
143G93.2Very high96.4Very high1 Ų118.2 Ų18.21%0.0110%0.103CC..BIsolated β-bridgetrans137.2166.2-179.800000113.2R145 F146G143-R145 PolarHBondContact O-N 2.98Å; G143-F146 WeakPolarHBondContact O-CB 3.47Å; G143-F146 WeakPolarHBondContact O-CD2 3.48Å; G143-F146 PolarHBondContact O-N 3.22Å; G143-F146 VanDerWaalsContact O-N 3.16Å
144G88.6Confident96.5Very high46 Ų4618 Ų1847%0.47410%0.102SC..THydrogen-bonded Turntrans59.7-124.3178.400000113.6F146 T516G144-F146 PolarHBondContact O-N 2.73Å; G144-T516 PolarHBondContact N-O 3.44Å
145R90.3Very high96.6Very high28 Ų2816.6 Ų16.611%0.10610%0.097CC..THydrogen-bonded Turntrans-69-16.6179.173.7-172.7-69.3-107.311.4114.2D30 K32 G143 R147 Q515D30-R145 IonicContact OD1-CZ 3.63Å; D30-R145 IonicContact OD1-NE 3.31Å; D30-R145 IonicContact OD1-NH2 2.99Å; D30-R145 PolarHBondContact OD1-NH2 2.96Å; D30-R145 IonicContact OD2-CZ 3.74Å; D30-R145 IonicContact OD2-NE 3.39Å; D30-R145 PolarHBondContact OD2-NE 3.41Å; D30-R145 IonicContact OD2-NH2 2.83Å; D30-R145 PolarHBondContact OD2-NH2 2.64Å; K32-R145 PolarHBondContact NZ-O 3.14Å; G143-R145 PolarHBondContact O-N 2.98Å; R145-R147 PolarHBondContact O-N 2.83Å; R145-Q515 HydrophobicContact CG-CG 4.38Å
146F92.6Very high96.6Very high15 Ų1516.5 Ų16.57%0.06610%0.096CC..BIsolated β-bridgetrans-85.894.1-179.1-55.6-59000109.9I141 P142 G143 G144 Y150 Y512 Q515 F518I141-F146 WeakPolarHBondContact CB-O 3.27Å; P142-F146 HydrophobicContact CB-CB 4.04Å; P142-F146 HydrophobicContact CB-CD2 4.29Å; P142-F146 HydrophobicContact CB-CG 4.5Å; P142-F146 HydrophobicContact CG-CB 3.94Å; G143-F146 WeakPolarHBondContact O-CB 3.47Å; G143-F146 WeakPolarHBondContact O-CD2 3.48Å; G143-F146 PolarHBondContact O-N 3.22Å; G143-F146 VanDerWaalsContact O-N 3.16Å; G144-F146 PolarHBondContact O-N 2.73Å; F146-Y150 HydrophobicContact CB-CD2 4.16Å; F146-Y150 HydrophobicContact CB-CE2 3.62Å; F146-Y150 HydrophobicContact CD1-CE1 4.25Å; F146-Y150 AromaticContact CD1-CE2 3.65Å; F146-Y150 HydrophobicContact CD1-CE2 3.65Å; F146-Y150 AromaticContact CD1-CZ 3.48Å; F146-Y150 VanDerWaalsContact CD1-CZ 3.48Å; F146-Y150 WeakPolarHBondContact CD1-OH 3.27Å; F146-Y150 AromaticContact CG-CE2 3.98Å; F146-Y150 HydrophobicContact CG-CE2 3.98Å; F146-Y512 HydrophobicContact CE2-CE2 4.28Å; F146-Y512 HydrophobicContact CZ-CE1 4.46Å; F146-Y512 AromaticContact CZ-CE2 3.88Å; F146-Y512 HydrophobicContact CZ-CE2 3.88Å; F146-Y512 AromaticContact CZ-CZ 3.75Å; F146-Q515 HydrophobicContact CD2-CG 4.21Å; F146-Q515 HydrophobicContact CE2-CB 4.28Å; F146-Q515 HydrophobicContact CE2-CG 3.68Å; F146-Q515 HydrophobicContact CZ-CG 4.47Å; F146-F518 AromaticContact CD2-CE2 3.6Å; F146-F518 HydrophobicContact CD2-CE2 3.6Å; F146-F518 AromaticContact CD2-CZ 3.91Å; F146-F518 HydrophobicContact CD2-CZ 3.91Å; F146-F518 AromaticContact CE2-CE2 3.73Å; F146-F518 HydrophobicContact CE2-CE2 3.73Å; F146-F518 AromaticContact CE2-CZ 3.98Å; F146-F518 HydrophobicContact CE2-CZ 3.98Å
147R94.4Very high96.7Very high82 Ų8214 Ų1431%0.3098%0.08SC..  trans-102.2-2.5-171.8-60176.9-170.1-163.27.9113.3P74 L78 R145P74-R147 VanDerWaalsContact CB-NH1 3.33Å; P74-R147 PolarHBondContact O-NH1 3.36Å; L78-R147 HydrophobicContact CD1-CB 3.98Å; L78-R147 WeakPolarHBondContact CD1-O 3.43Å; R145-R147 PolarHBondContact O-N 2.83Å
148E96.8Very high96.7Very high0 Ų011.7 Ų11.70%07%0.068CC..SBendtrans-110.7169.5177.450.8-73.8143.600110K32 L132 Y150 R192 Y195K32-E148 VanDerWaalsContact CE-OE1 3.31Å; K32-E148 WeakPolarHBondContact CE-OE1 3.32Å; K32-E148 IonicContact NZ-OE1 2.87Å; K32-E148 PolarHBondContact NZ-OE1 2.88Å; K32-E148 IonicContact NZ-OE2 3.62Å; K32-E148 PolarHBondContact NZ-OE2 3.34Å; L132-E148 HydrophobicContact CD1-CB 3.78Å; E148-Y150 HydrophobicContact CG-CD2 4.34Å; E148-Y150 HydrophobicContact CG-CE2 3.66Å; E148-Y150 WeakPolarHBondContact OE1-CE2 3.44Å; E148-Y150 VanDerWaalsContact OE1-CZ 3.28Å; E148-Y150 PolarHBondContact OE1-OH 2.85Å; E148-R192 HydrophobicContact CB-CG 4.38Å; E148-R192 HydrophobicContact CG-CG 3.94Å; E148-R192 IonicContact OE2-CZ 3.77Å; E148-R192 IonicContact OE2-NE 2.68Å; E148-R192 PolarHBondContact OE2-NE 2.92Å; E148-R192 IonicContact OE2-NH2 2.95Å; E148-R192 PolarHBondContact OE2-NH2 2.78Å; E148-Y195 HydrophobicContact CG-CE2 4.36Å
149F97.6Very high96.7Very high4 Ų410.9 Ų10.92%0.0186%0.058CC..  trans-66.2145.4165.467-96.2000108.9V135 F139 L177 M180 P188 G190 G191V135-F149 HydrophobicContact CG1-CD1 4.27Å; V135-F149 HydrophobicContact CG1-CE1 3.67Å; V135-F149 HydrophobicContact CG1-CZ 4.45Å; F139-F149 HydrophobicContact CD2-CB 3.86Å; F139-F149 HydrophobicContact CE2-CB 4.23Å; F139-F149 VanDerWaalsContact CE2-N 3.33Å; F139-F149 HydrophobicContact CG-CB 4.44Å; F149-L177 HydrophobicContact CD2-CD2 3.86Å; F149-L177 HydrophobicContact CE2-CD2 4.09Å; F149-M180 HydrophobicContact CE1-CE 4.06Å; F149-M180 HydrophobicContact CE1-CG 4.46Å; F149-M180 HydrophobicContact CE2-CG 4.31Å; F149-M180 HydrophobicContact CZ-CE 4Å; F149-M180 HydrophobicContact CZ-CG 3.66Å; F149-M180 HydrophobicContact CZ-SD 4.01Å; F149-P188 HydrophobicContact CE2-CG 4.36Å; F149-P188 HydrophobicContact CZ-CG 4.36Å; F149-G190 CarbonylContact O-C 3.44Å; F149-G190 WeakPolarHBondContact O-CA 3.39Å; F149-G191 PolarHBondContact O-N 2.98Å
150Y98.4Very high96.7Very high12 Ų1210.7 Ų10.75%0.0476%0.057CC..BIsolated β-bridgetrans-118.6137.9167.5-78.6-100.2000108.6K32 P142 F146 E148 D153 T154 N189 Y195K32-Y150 WeakPolarHBondContact CE-OH 3.37Å; P142-Y150 HydrophobicContact CG-CD2 3.68Å; P142-Y150 HydrophobicContact CG-CG 4.23Å; F146-Y150 HydrophobicContact CB-CD2 4.16Å; F146-Y150 HydrophobicContact CB-CE2 3.62Å; F146-Y150 HydrophobicContact CD1-CE1 4.25Å; F146-Y150 AromaticContact CD1-CE2 3.65Å; F146-Y150 HydrophobicContact CD1-CE2 3.65Å; F146-Y150 AromaticContact CD1-CZ 3.48Å; F146-Y150 VanDerWaalsContact CD1-CZ 3.48Å; F146-Y150 WeakPolarHBondContact CD1-OH 3.27Å; F146-Y150 AromaticContact CG-CE2 3.98Å; F146-Y150 HydrophobicContact CG-CE2 3.98Å; E148-Y150 HydrophobicContact CG-CD2 4.34Å; E148-Y150 HydrophobicContact CG-CE2 3.66Å; E148-Y150 WeakPolarHBondContact OE1-CE2 3.44Å; E148-Y150 VanDerWaalsContact OE1-CZ 3.28Å; E148-Y150 PolarHBondContact OE1-OH 2.85Å; Y150-D153 VanDerWaalsContact CB-OD2 3.29Å; Y150-D153 WeakPolarHBondContact CB-OD2 3.39Å; Y150-T154 WeakPolarHBondContact O-CB 3.09Å; Y150-T154 PolarHBondContact O-N 2.78Å; Y150-T154 VanDerWaalsContact O-N 3.16Å; Y150-T154 PolarHBondContact O-OG1 2.68Å; Y150-N189 WeakPolarHBondContact CA-O 3.3Å; Y150-N189 VanDerWaalsContact CD1-OD1 3.31Å; Y150-N189 WeakPolarHBondContact CD1-OD1 3.34Å; Y150-N189 WeakPolarHBondContact CE1-OD1 3.39Å; Y150-Y195 HydrophobicContact CE1-CE2 4.08Å; Y150-Y195 PolarHBondContact OH-OH 2.97Å
151Y98.8Very high96.8Very high0 Ų010.7 Ų10.70%06%0.057CC..Hα-helixtrans-65-62.2-164.8179-164.6000111.9D153 T154 L177 V187 N189 Q200 P202 L203 L204 M207 E231Y151-D153 PolarHBondContact O-N 3.49Å; Y151-T154 VanDerWaalsContact O-CB 3.28Å; Y151-T154 WeakPolarHBondContact O-CB 3.27Å; Y151-T154 PolarHBondContact O-N 3.41Å; Y151-L177 HydrophobicContact CD2-CD1 3.95Å; Y151-L177 HydrophobicContact CE2-CD1 4.1Å; Y151-V187 HydrophobicContact CD1-CB 3.59Å; Y151-V187 HydrophobicContact CD1-CG1 3.73Å; Y151-V187 HydrophobicContact CD2-CB 3.98Å; Y151-V187 HydrophobicContact CD2-CG1 3.54Å; Y151-V187 HydrophobicContact CD2-CG2 4.34Å; Y151-V187 HydrophobicContact CE1-CB 3.59Å; Y151-V187 HydrophobicContact CE1-CG1 4.17Å; Y151-V187 HydrophobicContact CE1-CG2 4.13Å; Y151-V187 HydrophobicContact CE2-CB 4.02Å; Y151-V187 HydrophobicContact CE2-CG1 4.05Å; Y151-V187 HydrophobicContact CE2-CG2 3.99Å; Y151-V187 HydrophobicContact CG-CB 3.79Å; Y151-V187 HydrophobicContact CG-CG1 3.39Å; Y151-N189 PolarHBondContact N-O 3.18Å; Y151-Q200 HydrophobicContact CD1-CB 4.07Å; Y151-Q200 HydrophobicContact CG-CB 4.37Å; Y151-Q200 VanDerWaalsContact N-OE1 3.14Å; Y151-P202 WeakPolarHBondContact OH-CA 3.25Å; Y151-L203 PolarHBondContact OH-N 2.94Å; Y151-L204 HydrophobicContact CE2-CB 3.83Å; Y151-L204 WeakPolarHBondContact OH-CB 3.26Å; Y151-L204 PolarHBondContact OH-N 3.48Å; Y151-M207 HydrophobicContact CD2-CE 4.18Å; Y151-M207 HydrophobicContact CE2-CE 4.08Å; Y151-M207 WeakPolarHBondContact O-CE 3.41Å; Y151-E231 WeakPolarHBondContact CE1-OE1 3.21Å; Y151-E231 PolarHBondContact OH-OE1 3.24Å; Y151-E231 PolarHBondContact OH-OE2 3.36Å
152W98.6Very high96.8Very high5 Ų511.6 Ų11.62%0.0196%0.062CC..Hα-helixtrans-72.3-30.9-174.577.3-30.7000112.4T154 F155 W156 Q200 P201 L203 G297 W298 W441 W520W152-T154 PolarHBondContact O-N 3.23Å; W152-F155 WeakPolarHBondContact O-CB 3.41Å; W152-F155 PolarHBondContact O-N 2.74Å; W152-W156 HydrophobicContact CB-CZ3 4.27Å; W152-W156 HydrophobicContact CD2-CH2 4.3Å; W152-W156 HydrophobicContact CD2-CZ3 4.02Å; W152-W156 AromaticContact CE3-CH2 3.82Å; W152-W156 HydrophobicContact CE3-CH2 3.82Å; W152-W156 HydrophobicContact CE3-CZ3 4.02Å; W152-W156 HydrophobicContact CG-CZ3 4.15Å; W152-W156 HydrophobicContact CZ3-CH2 4.35Å; W152-W156 WeakPolarHBondContact O-CZ3 3.38Å; W152-Q200 HydrophobicContact CB-CB 4.39Å; W152-Q200 VanDerWaalsContact CD1-NE2 3.3Å; W152-Q200 HydrophobicContact CG-CB 4.47Å; W152-Q200 HydrophobicContact CG-CG 4.41Å; W152-Q200 VanDerWaalsContact N-OE1 3.14Å; W152-P201 HydrophobicContact CB-CB 4.11Å; W152-P201 HydrophobicContact CB-CG 4.36Å; W152-P201 HydrophobicContact CD2-CB 4.44Å; W152-P201 HydrophobicContact CD2-CG 3.92Å; W152-P201 HydrophobicContact CE3-CB 3.89Å; W152-P201 HydrophobicContact CE3-CG 3.44Å; W152-P201 VanDerWaalsContact CE3-CG 3.44Å; W152-P201 HydrophobicContact CG-CG 4.33Å; W152-P201 HydrophobicContact CZ3-CG 3.97Å; W152-L203 HydrophobicContact CB-CD1 4.02Å; W152-G297 VanDerWaalsContact CZ2-CA 3.49Å; W152-G297 WeakPolarHBondContact CZ2-O 3.26Å; W152-W298 AromaticContact CH2-CD1 3.67Å; W152-W298 AromaticContact CH2-NE1 3.78Å; W152-W441 AromaticContact CH2-CH2 3.35Å; W152-W441 HydrophobicContact CH2-CH2 3.35Å; W152-W441 AromaticContact CH2-CZ2 3.73Å; W152-W441 HydrophobicContact CH2-CZ2 3.73Å; W152-W441 HydrophobicContact CH2-CZ3 4.1Å; W152-W441 AromaticContact CZ2-CH2 3.65Å; W152-W441 HydrophobicContact CZ2-CH2 3.65Å; W152-W441 AromaticContact CZ2-CZ2 3.6Å; W152-W441 HydrophobicContact CZ2-CZ2 3.6Å; W152-W441 HydrophobicContact CZ3-CH2 4.49Å; W152-W520 AromaticContact CE2-CZ3 3.9Å; W152-W520 AromaticContact CZ2-CZ3 3.93Å; W152-W520 HydrophobicContact CZ2-CZ3 3.93Å; W152-W520 AromaticContact NE1-CZ3 3.68Å
153D98.6Very high96.9Very high6 Ų612 Ų123%0.0327%0.066CC..Hα-helixtrans-53.3-40.5171.6-65.3-117.6000111.5P142 Y150 Y151 F155 W156 I157 F518 W520P142-D153 HydrophobicContact CG-CB 4.25Å; Y150-D153 VanDerWaalsContact CB-OD2 3.29Å; Y150-D153 WeakPolarHBondContact CB-OD2 3.39Å; Y151-D153 PolarHBondContact O-N 3.49Å; D153-F155 PolarHBondContact O-N 3.16Å; D153-F155 VanDerWaalsContact O-N 3.09Å; D153-W156 PolarHBondContact O-N 3.46Å; D153-I157 WeakPolarHBondContact O-CG1 3.49Å; D153-I157 PolarHBondContact O-N 3.46Å; D153-I157 VanDerWaalsContact O-N 3.13Å; D153-F518 WeakPolarHBondContact OD1-CE1 3.16Å; D153-W520 HydrophobicContact CB-CE3 4.24Å; D153-W520 WeakPolarHBondContact OD1-CZ3 3.47Å
154T98.8Very high97.1Very high2 Ų212 Ų121%0.0127%0.066CC..Hα-helixtrans-56.8-27.8179.3-61.50000111.5Y150 Y151 W152 I157 V158 M173 L177 M207Y150-T154 WeakPolarHBondContact O-CB 3.09Å; Y150-T154 PolarHBondContact O-N 2.78Å; Y150-T154 VanDerWaalsContact O-N 3.16Å; Y150-T154 PolarHBondContact O-OG1 2.68Å; Y151-T154 VanDerWaalsContact O-CB 3.28Å; Y151-T154 WeakPolarHBondContact O-CB 3.27Å; Y151-T154 PolarHBondContact O-N 3.41Å; W152-T154 PolarHBondContact O-N 3.23Å; T154-I157 PolarHBondContact O-N 3.32Å; T154-V158 HydrophobicContact CG2-CG2 4.08Å; T154-V158 WeakPolarHBondContact O-CB 3.49Å; T154-V158 VanDerWaalsContact O-CG2 3.25Å; T154-V158 WeakPolarHBondContact O-CG2 3.3Å; T154-V158 PolarHBondContact O-N 3.34Å; T154-M173 HydrophobicContact CG2-CE 3.69Å; T154-L177 HydrophobicContact CG2-CD1 3.95Å; T154-M207 HydrophobicContact CG2-CE 4.22Å; T154-M207 HydrophobicContact CG2-SD 3.7Å
155F98.9Very high97.5Very high0 Ų011.7 Ų11.70%05%0.053CC..Hα-helixtrans-60.8-51.9177.8-177.1-128.6000112.4W152 D153 V158 K159 L203 P206 M207 Y401 M453W152-F155 WeakPolarHBondContact O-CB 3.41Å; W152-F155 PolarHBondContact O-N 2.74Å; D153-F155 PolarHBondContact O-N 3.16Å; D153-F155 VanDerWaalsContact O-N 3.09Å; F155-V158 WeakPolarHBondContact O-CB 3.36Å; F155-V158 PolarHBondContact O-N 3.07Å; F155-K159 HydrophobicContact CE1-CD 4.37Å; F155-K159 HydrophobicContact CZ-CD 4.39Å; F155-K159 VanDerWaalsContact CZ-NZ 3.35Å; F155-K159 PolarHBondContact O-N 3.2Å; F155-L203 HydrophobicContact CB-CB 4Å; F155-L203 HydrophobicContact CB-CD1 3.72Å; F155-L203 HydrophobicContact CB-CG 4.47Å; F155-L203 HydrophobicContact CD1-CD1 3.73Å; F155-L203 HydrophobicContact CD1-CD2 4.45Å; F155-L203 HydrophobicContact CD2-CB 4.33Å; F155-L203 HydrophobicContact CG-CB 4.1Å; F155-L203 HydrophobicContact CG-CD1 3.84Å; F155-L203 HydrophobicContact CG-CG 4.42Å; F155-P206 HydrophobicContact CD2-CB 4.28Å; F155-P206 HydrophobicContact CE2-CB 3.56Å; F155-P206 HydrophobicContact CZ-CB 4Å; F155-M207 HydrophobicContact CB-CE 3.77Å; F155-M207 HydrophobicContact CD2-CG 4Å; F155-M207 VanDerWaalsContact N-CE 3.3Å; F155-Y401 WeakPolarHBondContact CE1-OH 3.48Å; F155-Y401 WeakPolarHBondContact CZ-OH 3.42Å; F155-M453 HydrophobicContact CD1-CE 4.17Å; F155-M453 HydrophobicContact CE1-CE 3.97Å
156W98.8Very high97.9Very high0 Ų010.4 Ų10.40%05%0.048CC..Hα-helixtrans-73.7-33.4-179.1-65.4-80.1000111.6W152 D153 V158 K159 G160 L203 P449 H452 M453 W520 G523 V524W152-W156 HydrophobicContact CB-CZ3 4.27Å; W152-W156 HydrophobicContact CD2-CH2 4.3Å; W152-W156 HydrophobicContact CD2-CZ3 4.02Å; W152-W156 AromaticContact CE3-CH2 3.82Å; W152-W156 HydrophobicContact CE3-CH2 3.82Å; W152-W156 HydrophobicContact CE3-CZ3 4.02Å; W152-W156 HydrophobicContact CG-CZ3 4.15Å; W152-W156 HydrophobicContact CZ3-CH2 4.35Å; W152-W156 WeakPolarHBondContact O-CZ3 3.38Å; D153-W156 PolarHBondContact O-N 3.46Å; W156-V158 VanDerWaalsContact C-N 3.32Å; W156-V158 PolarHBondContact O-N 3.23Å; W156-K159 PolarHBondContact O-N 2.86Å; W156-G160 PolarHBondContact O-N 3.34Å; W156-L203 HydrophobicContact CH2-CD1 4.09Å; W156-L203 HydrophobicContact CZ3-CD1 4.37Å; W156-P449 HydrophobicContact CD2-CB 4.14Å; W156-P449 HydrophobicContact CD2-CG 4.02Å; W156-P449 HydrophobicContact CE3-CB 4.21Å; W156-P449 HydrophobicContact CE3-CG 3.89Å; W156-P449 HydrophobicContact CH2-CB 3.47Å; W156-P449 VanDerWaalsContact CH2-CB 3.47Å; W156-P449 HydrophobicContact CH2-CG 4.01Å; W156-P449 HydrophobicContact CZ2-CB 3.34Å; W156-P449 HydrophobicContact CZ2-CG 4.09Å; W156-P449 HydrophobicContact CZ3-CB 3.89Å; W156-P449 HydrophobicContact CZ3-CG 3.88Å; W156-H452 AromaticContact CD1-ND1 3.82Å; W156-H452 AromaticContact NE1-CG 3.89Å; W156-H452 AromaticContact NE1-ND1 3.44Å; W156-H452 PolarHBondContact NE1-ND1 3Å; W156-M453 HydrophobicContact CH2-CE 4.01Å; W156-M453 HydrophobicContact CZ2-CE 3.4Å; W156-M453 VanDerWaalsContact CZ2-CE 3.4Å; W156-M453 HydrophobicContact CZ2-CG 4.36Å; W156-M453 HydrophobicContact CZ2-SD 3.85Å; W156-W520 HydrophobicContact CB-CB 3.7Å; W156-W520 HydrophobicContact CD2-CB 4.35Å; W156-W520 HydrophobicContact CE3-CB 4.13Å; W156-W520 HydrophobicContact CE3-CE3 4.42Å; W156-W520 HydrophobicContact CG-CB 4.21Å; W156-G523 WeakPolarHBondContact O-CA 3.35Å; W156-V524 HydrophobicContact CB-CG2 4.2Å; W156-V524 HydrophobicContact CG-CG2 3.86Å
157I98.8Very high98.2Very high1 Ų113 Ų131%0.0056%0.059CC..Hα-helixtrans-56.6-48.3169-69.4171.3000110W112 I140 D153 T154 K159 G160 L161 M173 G519W112-I157 HydrophobicContact CH2-CG2 4.48Å; W112-I157 HydrophobicContact CZ3-CG1 4.38Å; W112-I157 HydrophobicContact CZ3-CG2 4.27Å; I140-I157 HydrophobicContact CB-CG2 3.69Å; I140-I157 HydrophobicContact CG1-CG2 4.14Å; I140-I157 HydrophobicContact CG2-CD1 4.21Å; I140-I157 HydrophobicContact CG2-CG2 3.88Å; D153-I157 WeakPolarHBondContact O-CG1 3.49Å; D153-I157 PolarHBondContact O-N 3.46Å; D153-I157 VanDerWaalsContact O-N 3.13Å; T154-I157 PolarHBondContact O-N 3.32Å; I157-K159 PolarHBondContact O-N 3.39Å; I157-G160 PolarHBondContact O-N 3.2Å; I157-L161 HydrophobicContact CG2-CD1 3.77Å; I157-L161 HydrophobicContact CG2-CG 4.22Å; I157-L161 WeakPolarHBondContact O-CB 3.47Å; I157-L161 VanDerWaalsContact O-CG 3.27Å; I157-L161 WeakPolarHBondContact O-CG 3.43Å; I157-L161 PolarHBondContact O-N 3.17Å; I157-M173 HydrophobicContact CB-CE 4.5Å; I157-M173 HydrophobicContact CG2-CE 3.6Å; I157-M173 HydrophobicContact CG2-SD 4.27Å; I157-G519 VanDerWaalsContact CG1-C 3.49Å
158V98.9Very high98.4Very high0 Ų012.1 Ų12.10%07%0.066CC..Hα-helixtrans-57.9-45.8176.3162.10000111T154 F155 W156 G160 L161 L162 V170 M207T154-V158 HydrophobicContact CG2-CG2 4.08Å; T154-V158 WeakPolarHBondContact O-CB 3.49Å; T154-V158 VanDerWaalsContact O-CG2 3.25Å; T154-V158 WeakPolarHBondContact O-CG2 3.3Å; T154-V158 PolarHBondContact O-N 3.34Å; F155-V158 WeakPolarHBondContact O-CB 3.36Å; F155-V158 PolarHBondContact O-N 3.07Å; W156-V158 VanDerWaalsContact C-N 3.32Å; W156-V158 PolarHBondContact O-N 3.23Å; V158-G160 VanDerWaalsContact C-N 3.33Å; V158-G160 PolarHBondContact O-N 3.45Å; V158-L161 PolarHBondContact O-N 3.06Å; V158-L162 HydrophobicContact CG1-CD1 3.99Å; V158-L162 HydrophobicContact CG1-CG 4.25Å; V158-L162 WeakPolarHBondContact O-CB 3.49Å; V158-L162 VanDerWaalsContact O-CG 3.31Å; V158-L162 WeakPolarHBondContact O-CG 3.22Å; V158-L162 PolarHBondContact O-N 3.17Å; V158-V170 HydrophobicContact CB-CG1 4.47Å; V158-V170 HydrophobicContact CG1-CG1 3.67Å; V158-V170 HydrophobicContact CG1-CG2 4.3Å; V158-V170 HydrophobicContact CG2-CG1 4.13Å; V158-M207 HydrophobicContact CG1-CB 4.45Å; V158-M207 HydrophobicContact CG2-SD 4.1Å
159K98.7Very high98.5Very high15 Ų1512.8 Ų12.87%0.0657%0.07CC..Hα-helixtrans-57.1-45.5175.8-69.7-171.5-177.7-64.50112.5F155 W156 I157 L162 A163 D210 D527F155-K159 HydrophobicContact CE1-CD 4.37Å; F155-K159 HydrophobicContact CZ-CD 4.39Å; F155-K159 VanDerWaalsContact CZ-NZ 3.35Å; F155-K159 PolarHBondContact O-N 3.2Å; W156-K159 PolarHBondContact O-N 2.86Å; I157-K159 PolarHBondContact O-N 3.39Å; K159-L162 PolarHBondContact O-N 3.13Å; K159-A163 WeakPolarHBondContact O-CB 3.14Å; K159-A163 PolarHBondContact O-N 3.06Å; K159-D210 IonicContact NZ-OD2 3.77Å; K159-D210 PolarHBondContact NZ-OD2 2.85Å; K159-D527 HydrophobicContact CB-CB 4.05Å
160G98.6Very high98.5Very high0 Ų012.6 Ų12.60%07%0.069CC..Hα-helixtrans-65.2-39176.800000113.7W156 I157 V158 A163 S164W156-G160 PolarHBondContact O-N 3.34Å; I157-G160 PolarHBondContact O-N 3.2Å; V158-G160 VanDerWaalsContact C-N 3.33Å; V158-G160 PolarHBondContact O-N 3.45Å; G160-A163 CarbonylContact O-C 3.48Å; G160-A163 PolarHBondContact O-N 2.78Å; G160-S164 WeakPolarHBondContact O-CB 3.43Å; G160-S164 PolarHBondContact O-N 3.15Å; G160-S164 PolarHBondContact O-OG 3.17Å
161L98.7Very high98.5Very high0 Ų015.6 Ų15.60%08%0.081CC..Hα-helixtrans-67.4-39.6176.3-70172.8000111.8W112 I140 I157 V158 S164 D165 M166 T169 V170 M173W112-L161 HydrophobicContact CB-CD2 4.37Å; W112-L161 HydrophobicContact CD2-CD2 3.93Å; W112-L161 HydrophobicContact CG-CD2 3.84Å; I140-L161 HydrophobicContact CG1-CD1 4.03Å; I140-L161 HydrophobicContact CG1-CD2 4.3Å; I157-L161 HydrophobicContact CG2-CD1 3.77Å; I157-L161 HydrophobicContact CG2-CG 4.22Å; I157-L161 WeakPolarHBondContact O-CB 3.47Å; I157-L161 VanDerWaalsContact O-CG 3.27Å; I157-L161 WeakPolarHBondContact O-CG 3.43Å; I157-L161 PolarHBondContact O-N 3.17Å; V158-L161 PolarHBondContact O-N 3.06Å; L161-S164 CarbonylContact O-C 3.52Å; L161-S164 WeakPolarHBondContact O-CA 3.35Å; L161-S164 WeakPolarHBondContact O-CB 3.5Å; L161-S164 PolarHBondContact O-N 2.83Å; L161-D165 PolarHBondContact O-N 2.94Å; L161-M166 HydrophobicContact CB-CB 4.21Å; L161-M166 HydrophobicContact CD2-CB 4.13Å; L161-M166 HydrophobicContact CD2-CE 3.9Å; L161-M166 HydrophobicContact CD2-CG 4.46Å; L161-M166 HydrophobicContact CD2-SD 3.59Å; L161-M166 VanDerWaalsContact CD2-SD 3.59Å; L161-M166 WeakPolarHBondContact O-CB 3.35Å; L161-M166 PolarHBondContact O-N 2.79Å; L161-T169 HydrophobicContact CD1-CG2 3.93Å; L161-T169 HydrophobicContact CD2-CG2 4.39Å; L161-V170 HydrophobicContact CB-CG2 3.44Å; L161-V170 VanDerWaalsContact CB-CG2 3.44Å; L161-V170 HydrophobicContact CD1-CG2 4.07Å; L161-V170 HydrophobicContact CG-CG2 4.43Å; L161-M173 HydrophobicContact CD1-SD 3.55Å; L161-M173 VanDerWaalsContact CD1-SD 3.55Å
162L98.6Very high98.5Very high26 Ų2616 Ų1614%0.1369%0.085CC..Hα-helixtrans-62.4-44.9172-69.4176.9000110.8V158 K159 S164 D165 F167 V170 D210 Y211 A214V158-L162 HydrophobicContact CG1-CD1 3.99Å; V158-L162 HydrophobicContact CG1-CG 4.25Å; V158-L162 WeakPolarHBondContact O-CB 3.49Å; V158-L162 VanDerWaalsContact O-CG 3.31Å; V158-L162 WeakPolarHBondContact O-CG 3.22Å; V158-L162 PolarHBondContact O-N 3.17Å; K159-L162 PolarHBondContact O-N 3.13Å; L162-S164 PolarHBondContact O-N 3.44Å; L162-D165 PolarHBondContact O-N 3.29Å; L162-F167 HydrophobicContact CD2-CD1 3.73Å; L162-F167 HydrophobicContact CD2-CE1 4.07Å; L162-V170 HydrophobicContact CD2-CB 4.34Å; L162-V170 HydrophobicContact CD2-CG1 4.18Å; L162-V170 HydrophobicContact CD2-CG2 4Å; L162-V170 HydrophobicContact CG-CG2 4.11Å; L162-D210 HydrophobicContact CD1-CB 3.94Å; L162-Y211 HydrophobicContact CD2-CD2 4.39Å; L162-A214 HydrophobicContact CD1-CB 4.44Å; L162-A214 HydrophobicContact CD2-CB 3.84Å
163A97.7Very high98.5Very high10 Ų1016 Ų168%0.0839%0.085CC..Hα-helixtrans-61.4-24.9172.600000112.4S92 F93 K159 G160 L526 A530S92-A163 WeakPolarHBondContact CB-O 3.38Å; S92-A163 PolarHBondContact OG-O 3.03Å; F93-A163 VanDerWaalsContact CE1-O 3.25Å; F93-A163 WeakPolarHBondContact CE1-O 3.44Å; K159-A163 WeakPolarHBondContact O-CB 3.14Å; K159-A163 PolarHBondContact O-N 3.06Å; G160-A163 CarbonylContact O-C 3.48Å; G160-A163 PolarHBondContact O-N 2.78Å; A163-L526 HydrophobicContact CB-CB 4.22Å; A163-A530 HydrophobicContact CB-CB 4.04Å
164S98.3Very high98.6Very high1 Ų115.7 Ų15.71%0.0078%0.083CC..THydrogen-bonded Turntrans-89.28.9175.2-79.70000114.7P90 N109 W112 G160 L161 L162 M166P90-S164 WeakPolarHBondContact CB-O 3.38Å; P90-S164 VanDerWaalsContact CG-O 3.26Å; P90-S164 WeakPolarHBondContact CG-O 3.28Å; N109-S164 VanDerWaalsContact OD1-CB 3.26Å; N109-S164 WeakPolarHBondContact OD1-CB 3.35Å; N109-S164 PolarHBondContact OD1-OG 2.83Å; W112-S164 PolarHBondContact NE1-OG 3.04Å; G160-S164 WeakPolarHBondContact O-CB 3.43Å; G160-S164 PolarHBondContact O-N 3.15Å; G160-S164 PolarHBondContact O-OG 3.17Å; L161-S164 CarbonylContact O-C 3.52Å; L161-S164 WeakPolarHBondContact O-CA 3.35Å; L161-S164 WeakPolarHBondContact O-CB 3.5Å; L161-S164 PolarHBondContact O-N 2.83Å; L162-S164 PolarHBondContact O-N 3.44Å; S164-M166 PolarHBondContact O-N 3.49Å
165D97.5Very high98.6Very high39 Ų3918.9 Ų18.921%0.20910%0.095CC..THydrogen-bonded Turntrans58.925-174.3-59.5-37.4000114.3P90 R91 L161 L162 F167P90-D165 HydrophobicContact CB-CB 4.36Å; R91-D165 PolarHBondContact N-OD2 2.79Å; L161-D165 PolarHBondContact O-N 2.94Å; L162-D165 PolarHBondContact O-N 3.29Å; D165-F167 HydrophobicContact CB-CE2 4.11Å; D165-F167 HydrophobicContact CB-CZ 4.32Å; D165-F167 PolarHBondContact O-N 2.92Å
166M98.3Very high98.5Very high0 Ų019 Ų190%010%0.096CC..  trans-9657.1-175.5-62.8-179.165.900113P83 D85 W86 W112 L161 S164 S168 T169 V170P83-M166 HydrophobicContact CB-CE 3.35Å; P83-M166 HydrophobicContact CG-CE 3.69Å; D85-M166 VanDerWaalsContact OD2-CA 3.25Å; D85-M166 WeakPolarHBondContact OD2-CA 3.22Å; W86-M166 HydrophobicContact CB-CE 3.9Å; W86-M166 HydrophobicContact CB-SD 4.4Å; W86-M166 HydrophobicContact CG-CE 4.41Å; W86-M166 HydrophobicContact CG-SD 4.47Å; W112-M166 HydrophobicContact CB-SD 4.38Å; W112-M166 HydrophobicContact CG-SD 4.38Å; L161-M166 HydrophobicContact CB-CB 4.21Å; L161-M166 HydrophobicContact CD2-CB 4.13Å; L161-M166 HydrophobicContact CD2-CE 3.9Å; L161-M166 HydrophobicContact CD2-CG 4.46Å; L161-M166 HydrophobicContact CD2-SD 3.59Å; L161-M166 VanDerWaalsContact CD2-SD 3.59Å; L161-M166 WeakPolarHBondContact O-CB 3.35Å; L161-M166 PolarHBondContact O-N 2.79Å; S164-M166 PolarHBondContact O-N 3.49Å; M166-S168 PolarHBondContact O-N 2.95Å; M166-T169 HydrophobicContact CE-CG2 4.37Å; M166-T169 PolarHBondContact O-N 3.39Å; M166-V170 WeakPolarHBondContact O-CG2 3.06Å; M166-V170 PolarHBondContact O-N 3.31Å; M166-V170 VanDerWaalsContact O-N 3.13Å
167F98.2Very high98.6Very high69 Ų6919.1 Ų19.130%0.30310%0.096SC..Hα-helixtrans-64.9-37.3-172.4-51-64.6000114.2D85 L162 D165 V170 R171 Y211 A214 T215D85-F167 PolarHBondContact OD2-N 2.96Å; L162-F167 HydrophobicContact CD2-CD1 3.73Å; L162-F167 HydrophobicContact CD2-CE1 4.07Å; D165-F167 HydrophobicContact CB-CE2 4.11Å; D165-F167 HydrophobicContact CB-CZ 4.32Å; D165-F167 PolarHBondContact O-N 2.92Å; F167-V170 PolarHBondContact O-N 2.94Å; F167-R171 WeakPolarHBondContact O-CB 3.02Å; F167-R171 PolarHBondContact O-N 2.75Å; F167-Y211 HydrophobicContact CB-CE2 4.28Å; F167-Y211 VanDerWaalsContact O-CE2 3.3Å; F167-Y211 WeakPolarHBondContact O-CE2 3.44Å; F167-A214 HydrophobicContact CD1-CB 4.37Å; F167-A214 HydrophobicContact CE1-CB 4.01Å; F167-T215 HydrophobicContact CB-CG2 3.97Å; F167-T215 HydrophobicContact CD1-CG2 3.72Å; F167-T215 HydrophobicContact CE1-CG2 4.49Å; F167-T215 HydrophobicContact CG-CG2 3.93Å
168S98.3Very high98.5Very high64 Ų6419.1 Ų19.145%0.44810%0.097SC..Hα-helixtrans-70.4-36.1-179.571.80000111.6D85 M166 R171 G172D85-S168 WeakPolarHBondContact CB-OG 3.08Å; D85-S168 WeakPolarHBondContact OD2-CA 3.14Å; D85-S168 WeakPolarHBondContact OD2-CB 3.48Å; D85-S168 PolarHBondContact OD2-N 3.47Å; D85-S168 PolarHBondContact OD2-OG 2.91Å; M166-S168 PolarHBondContact O-N 2.95Å; S168-R171 PolarHBondContact O-N 2.76Å; S168-G172 PolarHBondContact O-N 3.49Å
169T98.6Very high98.5Very high15 Ų1522.4 Ų22.49%0.09211%0.11CC..Hα-helixtrans-63.2-47173-61.10000110.8P83 D85 L161 M166 R171 G172 M173P83-T169 WeakPolarHBondContact CB-OG1 3.41Å; D85-T169 PolarHBondContact OD1-OG1 3.47Å; D85-T169 PolarHBondContact OD2-N 2.8Å; D85-T169 PolarHBondContact OD2-OG1 3.3Å; L161-T169 HydrophobicContact CD1-CG2 3.93Å; L161-T169 HydrophobicContact CD2-CG2 4.39Å; M166-T169 HydrophobicContact CE-CG2 4.37Å; M166-T169 PolarHBondContact O-N 3.39Å; T169-R171 PolarHBondContact O-N 3.4Å; T169-G172 PolarHBondContact O-N 2.82Å; T169-M173 HydrophobicContact CG2-SD 4.21Å; T169-M173 WeakPolarHBondContact O-CG 3.34Å; T169-M173 PolarHBondContact O-N 3.08Å
170V98.8Very high98.5Very high0 Ų021.7 Ų21.70%011%0.107CC..Hα-helixtrans-57.6-47.6175.51710000111.3V158 L161 L162 M166 F167 G172 M173 I174 Y211V158-V170 HydrophobicContact CB-CG1 4.47Å; V158-V170 HydrophobicContact CG1-CG1 3.67Å; V158-V170 HydrophobicContact CG1-CG2 4.3Å; V158-V170 HydrophobicContact CG2-CG1 4.13Å; L161-V170 HydrophobicContact CB-CG2 3.44Å; L161-V170 VanDerWaalsContact CB-CG2 3.44Å; L161-V170 HydrophobicContact CD1-CG2 4.07Å; L161-V170 HydrophobicContact CG-CG2 4.43Å; L162-V170 HydrophobicContact CD2-CB 4.34Å; L162-V170 HydrophobicContact CD2-CG1 4.18Å; L162-V170 HydrophobicContact CD2-CG2 4Å; L162-V170 HydrophobicContact CG-CG2 4.11Å; M166-V170 WeakPolarHBondContact O-CG2 3.06Å; M166-V170 PolarHBondContact O-N 3.31Å; M166-V170 VanDerWaalsContact O-N 3.13Å; F167-V170 PolarHBondContact O-N 2.94Å; V170-G172 VanDerWaalsContact C-N 3.31Å; V170-G172 PolarHBondContact O-N 3.49Å; V170-M173 PolarHBondContact O-N 3.34Å; V170-I174 HydrophobicContact CG1-CD1 3.72Å; V170-I174 HydrophobicContact CG1-CG1 4.32Å; V170-I174 WeakPolarHBondContact O-CG1 3.37Å; V170-I174 PolarHBondContact O-N 3.11Å; V170-Y211 HydrophobicContact CB-CD2 4.12Å; V170-Y211 HydrophobicContact CG1-CD2 3.54Å; V170-Y211 HydrophobicContact CG1-CE2 4.37Å; V170-Y211 HydrophobicContact CG1-CG 4.22Å
171R98.8Very high98.5Very high75 Ų7521.7 Ų21.728%0.28311%0.107SC..Hα-helixtrans-58-43.3178.2-172.1176.7177.9-108.410.1112.2F167 S168 T169 R175 Y211 D217 F220F167-R171 WeakPolarHBondContact O-CB 3.02Å; F167-R171 PolarHBondContact O-N 2.75Å; S168-R171 PolarHBondContact O-N 2.76Å; T169-R171 PolarHBondContact O-N 3.4Å; R171-R175 VanDerWaalsContact CZ-CZ 3.41Å; R171-R175 WeakPolarHBondContact O-CG 3.43Å; R171-R175 PolarHBondContact O-N 2.82Å; R171-Y211 HydrophobicContact CB-CE2 3.94Å; R171-Y211 WeakPolarHBondContact CD-OH 3.18Å; R171-Y211 HydrophobicContact CG-CE1 4.49Å; R171-D217 IonicContact NE-OD2 3.64Å; R171-F220 HydrophobicContact CG-CD1 4.27Å; R171-F220 HydrophobicContact CG-CD2 3.96Å; R171-F220 HydrophobicContact CG-CE1 4.04Å; R171-F220 HydrophobicContact CG-CE2 3.76Å; R171-F220 HydrophobicContact CG-CG 4.2Å; R171-F220 HydrophobicContact CG-CZ 3.77Å
172G98.6Very high98.5Very high9 Ų927 Ų279%0.09313%0.131CC..Hα-helixtrans-62.7-43.1175.900000113N137 S168 T169 V170 R175 N176N137-G172 WeakPolarHBondContact CB-O 3.3Å; N137-G172 PolarHBondContact ND2-O 3.3Å; S168-G172 PolarHBondContact O-N 3.49Å; T169-G172 PolarHBondContact O-N 2.82Å; V170-G172 VanDerWaalsContact C-N 3.31Å; V170-G172 PolarHBondContact O-N 3.49Å; G172-R175 PolarHBondContact O-N 3.03Å; G172-N176 PolarHBondContact O-N 2.8Å; G172-N176 PolarHBondContact O-OD1 2.96Å
173M98.9Very high98.4Very high3 Ų328.7 Ų28.72%0.01514%0.141CC..Hα-helixtrans-65.8-44.1177.8-72.5179.866.400112.3F139 I140 T154 I157 L161 T169 V170 R175 N176 L177F139-M173 HydrophobicContact CB-CE 4.44Å; F139-M173 HydrophobicContact CB-CG 4.02Å; I140-M173 HydrophobicContact CB-CE 4.07Å; I140-M173 HydrophobicContact CB-SD 4.16Å; I140-M173 HydrophobicContact CG1-CE 4.44Å; I140-M173 HydrophobicContact CG1-SD 3.87Å; T154-M173 HydrophobicContact CG2-CE 3.69Å; I157-M173 HydrophobicContact CB-CE 4.5Å; I157-M173 HydrophobicContact CG2-CE 3.6Å; I157-M173 HydrophobicContact CG2-SD 4.27Å; L161-M173 HydrophobicContact CD1-SD 3.55Å; L161-M173 VanDerWaalsContact CD1-SD 3.55Å; T169-M173 HydrophobicContact CG2-SD 4.21Å; T169-M173 WeakPolarHBondContact O-CG 3.34Å; T169-M173 PolarHBondContact O-N 3.08Å; V170-M173 PolarHBondContact O-N 3.34Å; M173-R175 VanDerWaalsContact C-N 3.29Å; M173-R175 PolarHBondContact O-N 3.35Å; M173-N176 WeakPolarHBondContact O-CB 3.4Å; M173-N176 PolarHBondContact O-N 3.4Å; M173-N176 VanDerWaalsContact O-N 3.09Å; M173-L177 PolarHBondContact O-N 2.61Å; M173-L177 VanDerWaalsContact O-N 3.16Å
174I98.9Very high98.3Very high0 Ų030.3 Ų30.30%015%0.146CC..Hα-helixtrans-60-42.1174.8-70.1173.7000110.5V170 N176 L177 G178 L204 M207 V208 Y211 F220 M224V170-I174 HydrophobicContact CG1-CD1 3.72Å; V170-I174 HydrophobicContact CG1-CG1 4.32Å; V170-I174 WeakPolarHBondContact O-CG1 3.37Å; V170-I174 PolarHBondContact O-N 3.11Å; I174-N176 VanDerWaalsContact C-N 3.3Å; I174-N176 PolarHBondContact O-N 3.35Å; I174-L177 PolarHBondContact O-N 3.09Å; I174-G178 PolarHBondContact O-N 3.02Å; I174-L204 HydrophobicContact CG2-CD1 4.23Å; I174-M207 HydrophobicContact CD1-CB 4.03Å; I174-M207 WeakPolarHBondContact CD1-O 3.33Å; I174-M207 HydrophobicContact CG1-CB 4.04Å; I174-V208 HydrophobicContact CG2-CG2 3.56Å; I174-Y211 HydrophobicContact CD1-CG 4.13Å; I174-F220 HydrophobicContact CB-CE1 4.3Å; I174-F220 HydrophobicContact CB-CZ 4.06Å; I174-F220 HydrophobicContact CD1-CE1 4.41Å; I174-F220 HydrophobicContact CG2-CE1 3.83Å; I174-F220 HydrophobicContact CG2-CZ 3.63Å; I174-M224 HydrophobicContact CG2-CE 3.77Å; I174-M224 HydrophobicContact CG2-CG 4.32Å; I174-M224 HydrophobicContact CG2-SD 4.14Å
175R98.8Very high98.2Very high69 Ų6931.1 Ų31.126%0.2616%0.155SC..Hα-helixtrans-62.8-34.2174.4-80.9-178.1164.3173.1-5113.4R171 G172 M173 G178 Y179 F220 E223R171-R175 VanDerWaalsContact CZ-CZ 3.41Å; R171-R175 WeakPolarHBondContact O-CG 3.43Å; R171-R175 PolarHBondContact O-N 2.82Å; G172-R175 PolarHBondContact O-N 3.03Å; M173-R175 VanDerWaalsContact C-N 3.29Å; M173-R175 PolarHBondContact O-N 3.35Å; R175-G178 PolarHBondContact O-N 3.05Å; R175-Y179 WeakPolarHBondContact O-CB 3.21Å; R175-Y179 PolarHBondContact O-N 3.39Å; R175-F220 HydrophobicContact CG-CE2 3.55Å; R175-F220 HydrophobicContact CG-CZ 3.96Å; R175-E223 IonicContact CZ-OE1 3.6Å; R175-E223 IonicContact CZ-OE2 3.43Å; R175-E223 IonicContact NE-OE1 2.82Å; R175-E223 PolarHBondContact NE-OE1 3.2Å; R175-E223 IonicContact NE-OE2 3.53Å; R175-E223 VanDerWaalsContact NH2-CD 3.28Å; R175-E223 IonicContact NH2-OE1 2.69Å; R175-E223 PolarHBondContact NH2-OE1 3.37Å; R175-E223 IonicContact NH2-OE2 2.73Å; R175-E223 PolarHBondContact NH2-OE2 3.3Å
176N98.8Very high98.2Very high3 Ų330.1 Ų30.12%0.01615%0.149CC..Hα-helixtrans-63.1-43174.1-71.5-11.5000111.5V135 P136 N137 G172 M173 I174 Y179 M180V135-N176 HydrophobicContact CB-CB 3.84Å; V135-N176 HydrophobicContact CG1-CB 3.89Å; V135-N176 HydrophobicContact CG2-CB 4.32Å; P136-N176 WeakPolarHBondContact CD-OD1 3.46Å; N137-N176 WeakPolarHBondContact CA-OD1 3.37Å; N137-N176 VanDerWaalsContact CB-OD1 3.27Å; N137-N176 WeakPolarHBondContact CB-OD1 3.15Å; N137-N176 PolarHBondContact N-OD1 3.15Å; N137-N176 PolarHBondContact ND2-OD1 3.05Å; N137-N176 PolarHBondContact O-ND2 2.84Å; G172-N176 PolarHBondContact O-N 2.8Å; G172-N176 PolarHBondContact O-OD1 2.96Å; M173-N176 WeakPolarHBondContact O-CB 3.4Å; M173-N176 PolarHBondContact O-N 3.4Å; M173-N176 VanDerWaalsContact O-N 3.09Å; I174-N176 VanDerWaalsContact C-N 3.3Å; I174-N176 PolarHBondContact O-N 3.35Å; N176-Y179 WeakPolarHBondContact O-CB 3.28Å; N176-Y179 PolarHBondContact O-N 3.1Å; N176-M180 PolarHBondContact O-N 3.41Å; N176-M180 VanDerWaalsContact O-N 3.14Å
177L98.9Very high98.3Very high2 Ų230.1 Ų30.11%0.0115%0.149CC..Hα-helixtrans-66.9-41175-56.4-172000111.2F149 Y151 T154 M173 I174 Y179 M180 V181 V187 L204 M207F149-L177 HydrophobicContact CD2-CD2 3.86Å; F149-L177 HydrophobicContact CE2-CD2 4.09Å; Y151-L177 HydrophobicContact CD2-CD1 3.95Å; Y151-L177 HydrophobicContact CE2-CD1 4.1Å; T154-L177 HydrophobicContact CG2-CD1 3.95Å; M173-L177 PolarHBondContact O-N 2.61Å; M173-L177 VanDerWaalsContact O-N 3.16Å; I174-L177 PolarHBondContact O-N 3.09Å; L177-Y179 VanDerWaalsContact C-N 3.32Å; L177-Y179 PolarHBondContact O-N 3.14Å; L177-M180 WeakPolarHBondContact O-CB 3.37Å; L177-M180 PolarHBondContact O-N 3.34Å; L177-M180 VanDerWaalsContact O-N 3.1Å; L177-V181 PolarHBondContact O-N 3.36Å; L177-V187 HydrophobicContact CB-CG1 4.38Å; L177-V187 HydrophobicContact CB-CG2 4.05Å; L177-V187 HydrophobicContact CD2-CG1 3.78Å; L177-V187 HydrophobicContact CG-CG1 4.48Å; L177-L204 HydrophobicContact CB-CD1 3.73Å; L177-L204 HydrophobicContact CB-CD2 4.34Å; L177-L204 HydrophobicContact CD1-CD1 3.97Å; L177-L204 HydrophobicContact CG-CD1 4.46Å; L177-M207 HydrophobicContact CD1-CE 3.95Å; L177-M207 HydrophobicContact CD1-SD 3.83Å
178G98.8Very high98.3Very high1 Ų126.9 Ų26.91%0.0114%0.135CC..Hα-helixtrans-57.4-42.317200000113I174 R175 M180 V181 E182I174-G178 PolarHBondContact O-N 3.02Å; R175-G178 PolarHBondContact O-N 3.05Å; G178-M180 VanDerWaalsContact C-N 3.29Å; G178-M180 PolarHBondContact O-N 2.81Å; G178-V181 WeakPolarHBondContact O-CB 3.34Å; G178-V181 PolarHBondContact O-N 2.87Å; G178-V181 VanDerWaalsContact O-N 3.15Å; G178-E182 PolarHBondContact O-N 3.01Å
179Y98.4Very high98.3Very high69 Ų6924 Ų2427%0.27112%0.115SC..Hα-helixtrans-60.8-37.3174.8-179.5-88.1000111.7Y134 P136 R175 N176 L177 E182 N183Y134-Y179 HydrophobicContact CD1-CE1 4.5Å; Y134-Y179 VanDerWaalsContact O-CE1 3.3Å; Y134-Y179 WeakPolarHBondContact O-CE1 3.48Å; P136-Y179 HydrophobicContact CG-CD2 4.24Å; P136-Y179 HydrophobicContact CG-CG 4.38Å; R175-Y179 WeakPolarHBondContact O-CB 3.21Å; R175-Y179 PolarHBondContact O-N 3.39Å; N176-Y179 WeakPolarHBondContact O-CB 3.28Å; N176-Y179 PolarHBondContact O-N 3.1Å; L177-Y179 VanDerWaalsContact C-N 3.32Å; L177-Y179 PolarHBondContact O-N 3.14Å; Y179-E182 PolarHBondContact O-N 3.3Å; Y179-N183 VanDerWaalsContact CE1-ND2 3.35Å; Y179-N183 WeakPolarHBondContact CE1-ND2 3Å; Y179-N183 VanDerWaalsContact CE2-ND2 3.35Å; Y179-N183 WeakPolarHBondContact CE2-ND2 3.18Å; Y179-N183 VanDerWaalsContact CZ-ND2 3.26Å; Y179-N183 PolarHBondContact O-N 3.39Å; Y179-N183 PolarHBondContact O-ND2 2.91Å
180M98.4Very high98.3Very high1 Ų123.3 Ų23.31%0.00511%0.11CC..Hα-helixtrans-65.1-43.9173.3-68.4-64.8146.400112L133 Y134 V135 F149 N176 L177 G178 E182 N183 H184 F186 P188L133-M180 HydrophobicContact CB-CE 3.82Å; L133-M180 HydrophobicContact CB-SD 4.41Å; L133-M180 HydrophobicContact CD1-SD 4.07Å; Y134-M180 WeakPolarHBondContact O-CE 3.45Å; V135-M180 HydrophobicContact CG1-CE 3.2Å; F149-M180 HydrophobicContact CE1-CE 4.06Å; F149-M180 HydrophobicContact CE1-CG 4.46Å; F149-M180 HydrophobicContact CE2-CG 4.31Å; F149-M180 HydrophobicContact CZ-CE 4Å; F149-M180 HydrophobicContact CZ-CG 3.66Å; F149-M180 HydrophobicContact CZ-SD 4.01Å; N176-M180 PolarHBondContact O-N 3.41Å; N176-M180 VanDerWaalsContact O-N 3.14Å; L177-M180 WeakPolarHBondContact O-CB 3.37Å; L177-M180 PolarHBondContact O-N 3.34Å; L177-M180 VanDerWaalsContact O-N 3.1Å; G178-M180 VanDerWaalsContact C-N 3.29Å; G178-M180 PolarHBondContact O-N 2.81Å; M180-E182 VanDerWaalsContact C-N 3.29Å; M180-E182 PolarHBondContact O-N 2.93Å; M180-N183 PolarHBondContact O-N 3.44Å; M180-H184 WeakPolarHBondContact O-CA 3.47Å; M180-H184 WeakPolarHBondContact O-CB 3.37Å; M180-H184 PolarHBondContact O-N 3.26Å; M180-F186 CarbonylContact C-O 3.5Å; M180-P188 HydrophobicContact CG-CG 4.49Å; M180-P188 HydrophobicContact SD-CG 4.29Å
181V98.7Very high98.2Very high0 Ų023.3 Ų23.30%011%0.11CC..Hα-helixtrans-62.5-38.5174.9-179.50000111.4L177 G178 G185 V187 L204 L227 K230 E231L177-V181 PolarHBondContact O-N 3.36Å; G178-V181 WeakPolarHBondContact O-CB 3.34Å; G178-V181 PolarHBondContact O-N 2.87Å; G178-V181 VanDerWaalsContact O-N 3.15Å; V181-G185 WeakPolarHBondContact O-CA 3.44Å; V181-G185 PolarHBondContact O-N 3.42Å; V181-V187 HydrophobicContact CG2-CG2 3.54Å; V181-L204 HydrophobicContact CG2-CD2 3.92Å; V181-L227 WeakPolarHBondContact CG1-O 3.48Å; V181-K230 HydrophobicContact CG1-CB 3.88Å; V181-K230 HydrophobicContact CG1-CD 4.07Å; V181-K230 HydrophobicContact CG1-CG 3.88Å; V181-K230 WeakPolarHBondContact O-CE 3.48Å; V181-K230 PolarHBondContact O-NZ 2.92Å; V181-E231 HydrophobicContact CG1-CB 3.99Å; V181-E231 HydrophobicContact CG2-CB 3.97Å; V181-E231 HydrophobicContact CG2-CG 4.32Å
182E98Very high98.1Very high111 Ų11119.8 Ų19.852%0.51910%0.097SC..Hα-helixtrans-61.2-49.8177.2-173.3168.7-137.500111.5G178 Y179 M180 L227 K230G178-E182 PolarHBondContact O-N 3.01Å; Y179-E182 PolarHBondContact O-N 3.3Å; M180-E182 VanDerWaalsContact C-N 3.29Å; M180-E182 PolarHBondContact O-N 2.93Å; E182-L227 HydrophobicContact CB-CD2 4.01Å; E182-K230 PolarHBondContact O-NZ 2.76Å
183N96.2Very high97.9Very high62 Ų6219.5 Ų19.533%0.3329%0.093SC..Hα-helixtrans-86.7-31.7-172-69.6-74.9000114.2M2 Y179 M180M2-N183 HydrophobicContact CE-CB 4.4Å; M2-N183 VanDerWaalsContact CE-O 3.3Å; M2-N183 WeakPolarHBondContact CE-O 3.44Å; Y179-N183 VanDerWaalsContact CE1-ND2 3.35Å; Y179-N183 WeakPolarHBondContact CE1-ND2 3Å; Y179-N183 VanDerWaalsContact CE2-ND2 3.35Å; Y179-N183 WeakPolarHBondContact CE2-ND2 3.18Å; Y179-N183 VanDerWaalsContact CZ-ND2 3.26Å; Y179-N183 PolarHBondContact O-N 3.39Å; Y179-N183 PolarHBondContact O-ND2 2.91Å; M180-N183 PolarHBondContact O-N 3.44Å
184H95.5Very high97.8Very high43 Ų4319.4 Ų19.420%0.1999%0.093CC..Hα-helixtrans-116-12.5-174.5-57.6-77.3000113.8M2 M180 F186 L196M2-H184 WeakPolarHBondContact CE-CE1 3.49Å; M2-H184 WeakPolarHBondContact CE-ND1 3.46Å; M180-H184 WeakPolarHBondContact O-CA 3.47Å; M180-H184 WeakPolarHBondContact O-CB 3.37Å; M180-H184 PolarHBondContact O-N 3.26Å; H184-F186 WeakPolarHBondContact O-CD1 3.41Å; H184-L196 HydrophobicContact CB-CD2 4.22Å; H184-L196 WeakPolarHBondContact ND1-CD2 3.47Å
185G97.1Very high97.7Very high19 Ų1919.8 Ų19.820%0.1969%0.094CC..SBendtrans91-8.3177.700000115.3V181 F234V181-G185 WeakPolarHBondContact O-CA 3.44Å; V181-G185 PolarHBondContact O-N 3.42Å; G185-F234 WeakPolarHBondContact O-CB 3.46Å
186F98.2Very high97.5Very high18 Ų1817.9 Ų17.98%0.0799%0.089CC..SBendtrans-159.5170178.366.4-76.7000109.3M180 H184 P188 L196 F234M180-F186 CarbonylContact C-O 3.5Å; H184-F186 WeakPolarHBondContact O-CD1 3.41Å; F186-P188 HydrophobicContact CE2-CB 4.29Å; F186-L196 WeakPolarHBondContact CZ-O 3.25Å; F186-F234 HydrophobicContact CB-CB 4.1Å; F186-F234 HydrophobicContact CB-CD1 3.55Å; F186-F234 HydrophobicContact CB-CD2 3.74Å; F186-F234 HydrophobicContact CB-CE1 3.82Å; F186-F234 HydrophobicContact CB-CE2 3.99Å; F186-F234 HydrophobicContact CB-CG 3.52Å; F186-F234 HydrophobicContact CB-CZ 4.03Å; F186-F234 AromaticContact CD1-CD2 3.8Å; F186-F234 HydrophobicContact CD1-CD2 3.8Å; F186-F234 AromaticContact CD1-CE2 3.59Å; F186-F234 HydrophobicContact CD1-CE2 3.59Å; F186-F234 HydrophobicContact CD1-CG 4.47Å; F186-F234 HydrophobicContact CD1-CZ 4.12Å; F186-F234 HydrophobicContact CD2-CE1 4.17Å; F186-F234 HydrophobicContact CD2-CE2 4.22Å; F186-F234 AromaticContact CD2-CZ 3.89Å; F186-F234 HydrophobicContact CD2-CZ 3.89Å; F186-F234 HydrophobicContact CE1-CE2 4.13Å; F186-F234 HydrophobicContact CE2-CZ 4.41Å; F186-F234 HydrophobicContact CG-CD1 4.2Å; F186-F234 AromaticContact CG-CD2 3.88Å; F186-F234 HydrophobicContact CG-CD2 3.88Å; F186-F234 HydrophobicContact CG-CE1 4.01Å; F186-F234 AromaticContact CG-CE2 3.66Å; F186-F234 HydrophobicContact CG-CE2 3.66Å; F186-F234 HydrophobicContact CG-CG 4.15Å; F186-F234 AromaticContact CG-CZ 3.74Å; F186-F234 HydrophobicContact CG-CZ 3.74Å
187V98.8Very high97.2Very high0 Ų021.9 Ų21.90%011%0.105CC..  trans-87.7118.4171.3-1730000108.9Y151 L177 V181 S199 L204Y151-V187 HydrophobicContact CD1-CB 3.59Å; Y151-V187 HydrophobicContact CD1-CG1 3.73Å; Y151-V187 HydrophobicContact CD2-CB 3.98Å; Y151-V187 HydrophobicContact CD2-CG1 3.54Å; Y151-V187 HydrophobicContact CD2-CG2 4.34Å; Y151-V187 HydrophobicContact CE1-CB 3.59Å; Y151-V187 HydrophobicContact CE1-CG1 4.17Å; Y151-V187 HydrophobicContact CE1-CG2 4.13Å; Y151-V187 HydrophobicContact CE2-CB 4.02Å; Y151-V187 HydrophobicContact CE2-CG1 4.05Å; Y151-V187 HydrophobicContact CE2-CG2 3.99Å; Y151-V187 HydrophobicContact CG-CB 3.79Å; Y151-V187 HydrophobicContact CG-CG1 3.39Å; L177-V187 HydrophobicContact CB-CG1 4.38Å; L177-V187 HydrophobicContact CB-CG2 4.05Å; L177-V187 HydrophobicContact CD2-CG1 3.78Å; L177-V187 HydrophobicContact CG-CG1 4.48Å; V181-V187 HydrophobicContact CG2-CG2 3.54Å; V187-S199 PolarHBondContact O-OG 2.9Å; V187-S199 VanDerWaalsContact O-OG 3.05Å; V187-L204 HydrophobicContact CG2-CD2 4.01Å
188P98.5Very high97.2Very high0 Ų022 Ų220%011%0.105CC..  trans-66.7160.517729.8-34.9000111.4L133 F149 M180 F186 G190 L196 R198L133-P188 HydrophobicContact CD1-CG 4.22Å; F149-P188 HydrophobicContact CE2-CG 4.36Å; F149-P188 HydrophobicContact CZ-CG 4.36Å; M180-P188 HydrophobicContact CG-CG 4.49Å; M180-P188 HydrophobicContact SD-CG 4.29Å; F186-P188 HydrophobicContact CE2-CB 4.29Å; P188-G190 WeakPolarHBondContact CB-O 3.47Å; P188-G190 WeakPolarHBondContact CG-O 3.48Å; P188-G190 PolarHBondContact O-N 3.37Å; P188-G190 VanDerWaalsContact O-N 3.16Å; P188-L196 HydrophobicContact CB-CD2 4.27Å; P188-L196 HydrophobicContact CG-CD2 4.4Å; P188-R198 WeakPolarHBondContact CA-O 3.35Å
189N98.4Very high97.1Very high5 Ų521.9 Ų21.93%0.02710%0.104CC..SBendtrans-44.5-49.4175.1178.3-48.5000111.3Y150 Y151 Y195 R198 S199 Q200 A294Y150-N189 WeakPolarHBondContact CA-O 3.3Å; Y150-N189 VanDerWaalsContact CD1-OD1 3.31Å; Y150-N189 WeakPolarHBondContact CD1-OD1 3.34Å; Y150-N189 WeakPolarHBondContact CE1-OD1 3.39Å; Y151-N189 PolarHBondContact N-O 3.18Å; N189-Y195 HydrophobicContact CB-CD1 4.24Å; N189-Y195 HydrophobicContact CB-CG 4.13Å; N189-R198 HydrophobicContact CB-CG 4.06Å; N189-R198 PolarHBondContact N-O 3.02Å; N189-R198 PolarHBondContact ND2-NE 3.37Å; N189-S199 WeakPolarHBondContact CB-O 3.46Å; N189-Q200 HydrophobicContact CB-CG 4.32Å; N189-Q200 PolarHBondContact O-OE1 3.24Å; N189-Q200 PolarHBondContact OD1-NE2 3.16Å; N189-A294 PolarHBondContact ND2-O 3.2Å; N189-A294 VanDerWaalsContact ND2-O 3.11Å
190G98Very high97.1Very high0 Ų019 Ų190%09%0.093CC..BIsolated β-bridgetrans-147.6-179.9167.500000113F149 P188 R192 Y195F149-G190 CarbonylContact O-C 3.44Å; F149-G190 WeakPolarHBondContact O-CA 3.39Å; P188-G190 WeakPolarHBondContact CB-O 3.47Å; P188-G190 WeakPolarHBondContact CG-O 3.48Å; P188-G190 PolarHBondContact O-N 3.37Å; P188-G190 VanDerWaalsContact O-N 3.16Å; G190-R192 PolarHBondContact O-N 3.09Å; G190-Y195 VanDerWaalsContact CA-CD2 3.48Å; G190-Y195 WeakPolarHBondContact O-CB 3.28Å; G190-Y195 WeakPolarHBondContact O-CD2 3.43Å
191G97.2Very high97.2Very high0 Ų019 Ų190%09%0.093CC..SBendtrans-74.341.4-17400000116.5L132 L133 F149L132-G191 CarbonylContact C-O 3.58Å; L132-G191 WeakPolarHBondContact CA-O 3.43Å; L132-G191 WeakPolarHBondContact CD1-O 3.43Å; L133-G191 PolarHBondContact N-O 3.41Å; F149-G191 PolarHBondContact O-N 2.98Å
192R96.9Very high97.2Very high1 Ų119 Ų190%0.0049%0.093CC..BIsolated β-bridgetrans-129.8150-179.2-65.1-90.3-178.8-168.2-2.8112D36 E77 S131 E148 G190 Y194 Y195D36-R192 IonicContact OD1-CZ 3.83Å; D36-R192 IonicContact OD1-NE 2.83Å; D36-R192 PolarHBondContact OD1-NE 3.4Å; D36-R192 IonicContact OD1-NH2 3.48Å; E77-R192 IonicContact OE1-CZ 2.73Å; E77-R192 VanDerWaalsContact OE1-CZ 3.22Å; E77-R192 IonicContact OE1-NH1 2.74Å; E77-R192 PolarHBondContact OE1-NH1 3.09Å; E77-R192 IonicContact OE1-NH2 2.74Å; E77-R192 PolarHBondContact OE1-NH2 3.37Å; S131-R192 CarbonylContact O-C 3.12Å; S131-R192 WeakPolarHBondContact O-CA 3.46Å; S131-R192 WeakPolarHBondContact OG-CD 3.45Å; S131-R192 PolarHBondContact OG-NH1 3.45Å; E148-R192 HydrophobicContact CB-CG 4.38Å; E148-R192 HydrophobicContact CG-CG 3.94Å; E148-R192 IonicContact OE2-CZ 3.77Å; E148-R192 IonicContact OE2-NE 2.68Å; E148-R192 PolarHBondContact OE2-NE 2.92Å; E148-R192 IonicContact OE2-NH2 2.95Å; E148-R192 PolarHBondContact OE2-NH2 2.78Å; G190-R192 PolarHBondContact O-N 3.09Å; R192-Y194 HydrophobicContact CB-CD1 3.99Å; R192-Y194 HydrophobicContact CB-CD2 4.1Å; R192-Y194 HydrophobicContact CB-CE1 3.61Å; R192-Y194 HydrophobicContact CB-CE2 3.72Å; R192-Y194 HydrophobicContact CB-CG 4.22Å; R192-Y194 VanDerWaalsContact CB-CZ 3.47Å; R192-Y194 HydrophobicContact CG-CE1 3.9Å; R192-Y194 HydrophobicContact CG-CE2 4.13Å; R192-Y194 WeakPolarHBondContact CG-OH 3.39Å; R192-Y194 PolarHBondContact O-N 3.33Å; R192-Y195 HydrophobicContact CB-CD2 3.77Å; R192-Y195 HydrophobicContact CB-CE2 4.19Å; R192-Y195 HydrophobicContact CB-CG 4.44Å; R192-Y195 HydrophobicContact CG-CD2 4.3Å; R192-Y195 HydrophobicContact CG-CE2 4.31Å; R192-Y195 WeakPolarHBondContact O-CB 3.48Å; R192-Y195 PolarHBondContact O-N 3.04Å
193I95.5Very high97.2Very high3 Ų313.7 Ų13.72%0.0157%0.068CC..G310 helixtrans-56.9-35.9-179.862.3175.8000112.8L9 Y13 S131 L133 Y195 L196L9-I193 HydrophobicContact CB-CD1 3.52Å; L9-I193 HydrophobicContact CD1-CD1 4.05Å; L9-I193 HydrophobicContact CD1-CG2 4.26Å; L9-I193 HydrophobicContact CG-CD1 4.36Å; Y13-I193 HydrophobicContact CD2-CD1 3.76Å; Y13-I193 HydrophobicContact CG-CD1 4.23Å; S131-I193 PolarHBondContact O-N 3.41Å; L133-I193 HydrophobicContact CD2-CG2 3.8Å; I193-Y195 PolarHBondContact O-N 3.06Å; I193-L196 WeakPolarHBondContact O-CB 3.32Å; I193-L196 WeakPolarHBondContact O-CG 3.33Å; I193-L196 PolarHBondContact O-N 3.18Å; I193-L196 VanDerWaalsContact O-N 3.1Å
194Y95Very high97.3Very high0 Ų010.8 Ų10.80%05%0.053CC..G310 helixtrans-74.1-9.2-179.351.2-104.5000112.5V35 D36 R192 P264 E265V35-Y194 HydrophobicContact CB-CD1 4.06Å; V35-Y194 HydrophobicContact CB-CE1 3.74Å; V35-Y194 HydrophobicContact CG2-CD1 4.29Å; V35-Y194 HydrophobicContact CG2-CE1 3.67Å; D36-Y194 PolarHBondContact OD1-OH 3.45Å; R192-Y194 HydrophobicContact CB-CD1 3.99Å; R192-Y194 HydrophobicContact CB-CD2 4.1Å; R192-Y194 HydrophobicContact CB-CE1 3.61Å; R192-Y194 HydrophobicContact CB-CE2 3.72Å; R192-Y194 HydrophobicContact CB-CG 4.22Å; R192-Y194 VanDerWaalsContact CB-CZ 3.47Å; R192-Y194 HydrophobicContact CG-CE1 3.9Å; R192-Y194 HydrophobicContact CG-CE2 4.13Å; R192-Y194 WeakPolarHBondContact CG-OH 3.39Å; R192-Y194 PolarHBondContact O-N 3.33Å; Y194-P264 HydrophobicContact CG-CB 4.46Å; Y194-E265 HydrophobicContact CD2-CB 4.4Å; Y194-E265 WeakPolarHBondContact CD2-OE2 3.42Å; Y194-E265 HydrophobicContact CE2-CB 3.96Å; Y194-E265 HydrophobicContact CE2-CG 4.4Å
195Y96.8Very high97.5Very high8 Ų88.8 Ų8.83%0.0314%0.043CC..G310 helixtrans-92-4.6170.1-63.7-35000113.8E148 Y150 N189 G190 R192 I193 Y197 R198 E265E148-Y195 HydrophobicContact CG-CE2 4.36Å; Y150-Y195 HydrophobicContact CE1-CE2 4.08Å; Y150-Y195 PolarHBondContact OH-OH 2.97Å; N189-Y195 HydrophobicContact CB-CD1 4.24Å; N189-Y195 HydrophobicContact CB-CG 4.13Å; G190-Y195 VanDerWaalsContact CA-CD2 3.48Å; G190-Y195 WeakPolarHBondContact O-CB 3.28Å; G190-Y195 WeakPolarHBondContact O-CD2 3.43Å; R192-Y195 HydrophobicContact CB-CD2 3.77Å; R192-Y195 HydrophobicContact CB-CE2 4.19Å; R192-Y195 HydrophobicContact CB-CG 4.44Å; R192-Y195 HydrophobicContact CG-CD2 4.3Å; R192-Y195 HydrophobicContact CG-CE2 4.31Å; R192-Y195 WeakPolarHBondContact O-CB 3.48Å; R192-Y195 PolarHBondContact O-N 3.04Å; I193-Y195 PolarHBondContact O-N 3.06Å; Y195-Y197 PolarHBondContact O-N 3.18Å; Y195-R198 VanDerWaalsContact CD1-NH2 3.31Å; Y195-R198 PolarHBondContact O-N 2.98Å; Y195-R198 VanDerWaalsContact O-N 3.13Å; Y195-E265 HydrophobicContact CE1-CG 4.2Å
196L95.1Very high97.6Very high30 Ų308 Ų816%0.1574%0.035CC..THydrogen-bonded Turntrans-68.70.5178.9-67.5178.3000114.8V6 L133 H184 F186 P188 I193V6-L196 HydrophobicContact CG1-CD1 4.32Å; V6-L196 HydrophobicContact CG2-CD1 4.16Å; L133-L196 HydrophobicContact CD1-CD2 3.71Å; L133-L196 HydrophobicContact CD1-CG 4.14Å; L133-L196 HydrophobicContact CD2-CD1 4.24Å; H184-L196 HydrophobicContact CB-CD2 4.22Å; H184-L196 WeakPolarHBondContact ND1-CD2 3.47Å; F186-L196 WeakPolarHBondContact CZ-O 3.25Å; P188-L196 HydrophobicContact CB-CD2 4.27Å; P188-L196 HydrophobicContact CG-CD2 4.4Å; I193-L196 WeakPolarHBondContact O-CB 3.32Å; I193-L196 WeakPolarHBondContact O-CG 3.33Å; I193-L196 PolarHBondContact O-N 3.18Å; I193-L196 VanDerWaalsContact O-N 3.1Å
197Y93.6Very high97.6Very high87 Ų877.1 Ų7.134%0.3413%0.031SC..THydrogen-bonded Turntrans-92.3-14.3173.7-65.1-83.7000113.4Y195 M259Y195-Y197 PolarHBondContact O-N 3.18Å; Y197-M259 HydrophobicContact CD2-CE 4.02Å; Y197-M259 HydrophobicContact CD2-SD 4.22Å; Y197-M259 HydrophobicContact CE2-CE 4.27Å; Y197-M259 HydrophobicContact CG-SD 4.3Å
198R97.2Very high97.6Very high3 Ų37.2 Ų7.21%0.0113%0.031CC..  trans-148.7149.6-172.562.4173.8-174.6-84.213.7113.3P188 N189 Y195 A257 E265 V291 E295P188-R198 WeakPolarHBondContact CA-O 3.35Å; N189-R198 HydrophobicContact CB-CG 4.06Å; N189-R198 PolarHBondContact N-O 3.02Å; N189-R198 PolarHBondContact ND2-NE 3.37Å; Y195-R198 VanDerWaalsContact CD1-NH2 3.31Å; Y195-R198 PolarHBondContact O-N 2.98Å; Y195-R198 VanDerWaalsContact O-N 3.13Å; R198-A257 HydrophobicContact CB-CB 3.64Å; R198-E265 IonicContact CZ-OE1 3.48Å; R198-E265 IonicContact NH1-OE1 3.22Å; R198-E265 IonicContact NH2-OE1 3.7Å; R198-E265 PolarHBondContact NH2-OE1 2.96Å; R198-V291 HydrophobicContact CB-CG1 4.25Å; R198-V291 VanDerWaalsContact CD-O 3.26Å; R198-V291 WeakPolarHBondContact CD-O 3.42Å; R198-V291 HydrophobicContact CG-CG1 4.32Å; R198-E295 WeakPolarHBondContact CA-OE1 3.33Å; R198-E295 HydrophobicContact CB-CB 4.02Å; R198-E295 HydrophobicContact CB-CG 4.06Å
199S98.5Very high97.6Very high0 Ų09.3 Ų9.30%04%0.04CC..  trans-89.4-159173-167.30000110.8V187 N189 W235 E295V187-S199 PolarHBondContact O-OG 2.9Å; V187-S199 VanDerWaalsContact O-OG 3.05Å; N189-S199 WeakPolarHBondContact CB-O 3.46Å; S199-W235 VanDerWaalsContact OG-CZ2 3.28Å; S199-W235 WeakPolarHBondContact OG-CZ2 3.45Å; S199-E295 PolarHBondContact N-OE1 3.02Å; S199-E295 WeakPolarHBondContact O-CG 3.33Å
200Q98.5Very high97.6Very high8 Ų810.7 Ų10.74%0.0375%0.047CC..  trans-140.6178.7159.9-110.7-179.6-8.100108.9Y151 W152 N189 W235 E295Y151-Q200 HydrophobicContact CD1-CB 4.07Å; Y151-Q200 HydrophobicContact CG-CB 4.37Å; Y151-Q200 VanDerWaalsContact N-OE1 3.14Å; W152-Q200 HydrophobicContact CB-CB 4.39Å; W152-Q200 VanDerWaalsContact CD1-NE2 3.3Å; W152-Q200 HydrophobicContact CG-CB 4.47Å; W152-Q200 HydrophobicContact CG-CG 4.41Å; W152-Q200 VanDerWaalsContact N-OE1 3.14Å; N189-Q200 HydrophobicContact CB-CG 4.32Å; N189-Q200 PolarHBondContact O-OE1 3.24Å; N189-Q200 PolarHBondContact OD1-NE2 3.16Å; Q200-W235 VanDerWaalsContact O-CZ2 3.22Å; Q200-W235 WeakPolarHBondContact O-CZ2 3.36Å; Q200-E295 WeakPolarHBondContact CA-O 3.47Å
201P98.8Very high97.7Very high0 Ų011.3 Ų11.30%05%0.05CC..SBendtrans-47.6127.7178.6-33.740.1000113.4W152 L203 T296 F331W152-P201 HydrophobicContact CB-CB 4.11Å; W152-P201 HydrophobicContact CB-CG 4.36Å; W152-P201 HydrophobicContact CD2-CB 4.44Å; W152-P201 HydrophobicContact CD2-CG 3.92Å; W152-P201 HydrophobicContact CE3-CB 3.89Å; W152-P201 HydrophobicContact CE3-CG 3.44Å; W152-P201 VanDerWaalsContact CE3-CG 3.44Å; W152-P201 HydrophobicContact CG-CG 4.33Å; W152-P201 HydrophobicContact CZ3-CG 3.97Å; P201-L203 PolarHBondContact O-N 2.81Å; P201-T296 WeakPolarHBondContact CG-O 3.47Å; P201-F331 HydrophobicContact CB-CD2 3.95Å; P201-F331 HydrophobicContact CB-CE2 3.75Å; P201-F331 HydrophobicContact CG-CE2 4.45Å
202P98.8Very high97.8Very high1 Ų113.6 Ų13.61%0.0066%0.059CC..  trans-81.783.9-162.330.2-35000113.5Y151 W235 L328 F331 M332 N335Y151-P202 WeakPolarHBondContact OH-CA 3.25Å; P202-W235 HydrophobicContact CB-CD2 4.37Å; P202-W235 HydrophobicContact CB-CZ2 3.75Å; P202-W235 HydrophobicContact CG-CD2 4.28Å; P202-W235 HydrophobicContact CG-CH2 4.47Å; P202-W235 HydrophobicContact CG-CZ2 3.93Å; P202-L328 HydrophobicContact CG-CD1 4.11Å; P202-F331 HydrophobicContact CG-CB 4.1Å; P202-M332 HydrophobicContact CG-SD 3.82Å; P202-N335 PolarHBondContact O-ND2 3.5Å; P202-N335 PolarHBondContact O-OD1 3.23Å
203L98.9Very high97.8Very high0 Ų018.6 Ų18.60%09%0.085CC..  trans-104.34-173.4-65.9172.5000114.5Y151 W152 F155 W156 P201 I205 P206 M207 F331 M453Y151-L203 PolarHBondContact OH-N 2.94Å; W152-L203 HydrophobicContact CB-CD1 4.02Å; F155-L203 HydrophobicContact CB-CB 4Å; F155-L203 HydrophobicContact CB-CD1 3.72Å; F155-L203 HydrophobicContact CB-CG 4.47Å; F155-L203 HydrophobicContact CD1-CD1 3.73Å; F155-L203 HydrophobicContact CD1-CD2 4.45Å; F155-L203 HydrophobicContact CD2-CB 4.33Å; F155-L203 HydrophobicContact CG-CB 4.1Å; F155-L203 HydrophobicContact CG-CD1 3.84Å; F155-L203 HydrophobicContact CG-CG 4.42Å; W156-L203 HydrophobicContact CH2-CD1 4.09Å; W156-L203 HydrophobicContact CZ3-CD1 4.37Å; P201-L203 PolarHBondContact O-N 2.81Å; L203-I205 VanDerWaalsContact C-N 3.35Å; L203-I205 PolarHBondContact O-N 3.29Å; L203-P206 HydrophobicContact CD2-CG 4.03Å; L203-P206 WeakPolarHBondContact O-CD 3.43Å; L203-M207 HydrophobicContact CB-CE 3.99Å; L203-M207 WeakPolarHBondContact O-CG 3.26Å; L203-M207 PolarHBondContact O-N 3.25Å; L203-F331 HydrophobicContact CD2-CD1 3.74Å; L203-F331 HydrophobicContact CD2-CE1 3.83Å; L203-F331 HydrophobicContact CD2-CG 4.47Å; L203-M453 HydrophobicContact CD1-CE 4.15Å; L203-M453 HydrophobicContact CD2-CE 4.28Å
204L98.9Very high97.9Very high0 Ų020.8 Ų20.80%010%0.104CC..Hα-helixtrans-58.2-43.5178.6-178.856.3000112.6Y151 I174 L177 V181 V187 M207 V208 L228 E231Y151-L204 HydrophobicContact CE2-CB 3.83Å; Y151-L204 WeakPolarHBondContact OH-CB 3.26Å; Y151-L204 PolarHBondContact OH-N 3.48Å; I174-L204 HydrophobicContact CG2-CD1 4.23Å; L177-L204 HydrophobicContact CB-CD1 3.73Å; L177-L204 HydrophobicContact CB-CD2 4.34Å; L177-L204 HydrophobicContact CD1-CD1 3.97Å; L177-L204 HydrophobicContact CG-CD1 4.46Å; V181-L204 HydrophobicContact CG2-CD2 3.92Å; V187-L204 HydrophobicContact CG2-CD2 4.01Å; L204-M207 PolarHBondContact O-N 3.42Å; L204-M207 VanDerWaalsContact O-N 3.14Å; L204-V208 HydrophobicContact CD1-CG2 4.49Å; L204-V208 PolarHBondContact O-N 2.91Å; L204-V208 VanDerWaalsContact O-N 3.07Å; L204-L228 HydrophobicContact CB-CD2 4.39Å; L204-L228 HydrophobicContact CD2-CD2 3.87Å; L204-L228 HydrophobicContact CG-CD2 3.56Å; L204-E231 WeakPolarHBondContact CB-OE2 3.34Å
205I98.9Very high98.1Very high1 Ų123.3 Ų23.31%0.00512%0.119CC..Hα-helixtrans-58.3-52.7176.5-74.6160.9000111.2L203 M207 V208 Y209 L228 N335 L338 L339 M342L203-I205 VanDerWaalsContact C-N 3.35Å; L203-I205 PolarHBondContact O-N 3.29Å; I205-M207 VanDerWaalsContact C-N 3.3Å; I205-M207 PolarHBondContact O-N 2.74Å; I205-V208 PolarHBondContact O-N 3.21Å; I205-Y209 PolarHBondContact O-N 3.41Å; I205-L228 HydrophobicContact CD1-CB 4.48Å; I205-L228 HydrophobicContact CG1-CB 3.85Å; I205-L228 HydrophobicContact CG1-CD1 4.17Å; I205-L228 HydrophobicContact CG1-CD2 3.91Å; I205-L228 HydrophobicContact CG1-CG 4.18Å; I205-N335 HydrophobicContact CD1-CB 3.7Å; I205-N335 HydrophobicContact CG2-CB 4.46Å; I205-L338 HydrophobicContact CG2-CB 3.57Å; I205-L338 HydrophobicContact CG2-CD1 4.09Å; I205-L338 HydrophobicContact CG2-CG 4.46Å; I205-L339 HydrophobicContact CD1-CD1 3.72Å; I205-L339 HydrophobicContact CD1-CD2 4.13Å; I205-L339 HydrophobicContact CD1-CG 3.84Å; I205-L339 HydrophobicContact CG1-CD2 4.32Å; I205-L339 HydrophobicContact CG1-CG 4.38Å; I205-L339 HydrophobicContact CG2-CG 4.49Å; I205-M342 HydrophobicContact CG2-CE 3.71Å
206P98.8Very high98.1Very high3 Ų325.1 Ų25.12%0.01914%0.14CC..Hα-helixtrans-53.4-39.2170.4-29.932.4000114.7F155 L203 Y209 D210 L334 N335 L338F155-P206 HydrophobicContact CD2-CB 4.28Å; F155-P206 HydrophobicContact CE2-CB 3.56Å; F155-P206 HydrophobicContact CZ-CB 4Å; L203-P206 HydrophobicContact CD2-CG 4.03Å; L203-P206 WeakPolarHBondContact O-CD 3.43Å; P206-Y209 PolarHBondContact O-N 2.61Å; P206-D210 WeakPolarHBondContact O-CB 3.44Å; P206-D210 PolarHBondContact O-N 3.03Å; P206-L334 HydrophobicContact CG-CD2 3.9Å; P206-L334 HydrophobicContact CG-CG 4.43Å; P206-N335 VanDerWaalsContact CD-OD1 3.25Å; P206-N335 WeakPolarHBondContact CD-OD1 3.37Å; P206-L338 HydrophobicContact CB-CD1 4.18Å; P206-L338 HydrophobicContact CG-CD1 3.93Å
207M98.9Very high98.3Very high0 Ų025.7 Ų25.70%014%0.143CC..Hα-helixtrans-64.2-44.8179.2-38.8-158.6-172.900112Y151 T154 F155 V158 I174 L177 L203 L204 I205 Y209 D210 Y211Y151-M207 HydrophobicContact CD2-CE 4.18Å; Y151-M207 HydrophobicContact CE2-CE 4.08Å; Y151-M207 WeakPolarHBondContact O-CE 3.41Å; T154-M207 HydrophobicContact CG2-CE 4.22Å; T154-M207 HydrophobicContact CG2-SD 3.7Å; F155-M207 HydrophobicContact CB-CE 3.77Å; F155-M207 HydrophobicContact CD2-CG 4Å; F155-M207 VanDerWaalsContact N-CE 3.3Å; V158-M207 HydrophobicContact CG1-CB 4.45Å; V158-M207 HydrophobicContact CG2-SD 4.1Å; I174-M207 HydrophobicContact CD1-CB 4.03Å; I174-M207 WeakPolarHBondContact CD1-O 3.33Å; I174-M207 HydrophobicContact CG1-CB 4.04Å; L177-M207 HydrophobicContact CD1-CE 3.95Å; L177-M207 HydrophobicContact CD1-SD 3.83Å; L203-M207 HydrophobicContact CB-CE 3.99Å; L203-M207 WeakPolarHBondContact O-CG 3.26Å; L203-M207 PolarHBondContact O-N 3.25Å; L204-M207 PolarHBondContact O-N 3.42Å; L204-M207 VanDerWaalsContact O-N 3.14Å; I205-M207 VanDerWaalsContact C-N 3.3Å; I205-M207 PolarHBondContact O-N 2.74Å; M207-Y209 VanDerWaalsContact C-N 3.31Å; M207-D210 PolarHBondContact O-N 3.46Å; M207-Y211 WeakPolarHBondContact O-CB 3.41Å; M207-Y211 PolarHBondContact O-N 3.41Å
208V98.9Very high98.5Very high1 Ų124.5 Ų24.51%0.00614%0.142CC..Hα-helixtrans-63-42.3177.7175.80000110.5I174 L204 I205 Y211 Y212 L221 M224 L228 M342I174-V208 HydrophobicContact CG2-CG2 3.56Å; L204-V208 HydrophobicContact CD1-CG2 4.49Å; L204-V208 PolarHBondContact O-N 2.91Å; L204-V208 VanDerWaalsContact O-N 3.07Å; I205-V208 PolarHBondContact O-N 3.21Å; V208-Y211 PolarHBondContact O-N 3.06Å; V208-Y212 PolarHBondContact O-N 2.94Å; V208-L221 HydrophobicContact CG1-CD1 3.58Å; V208-M224 HydrophobicContact CG1-CB 4.14Å; V208-M224 HydrophobicContact CG2-CB 4.1Å; V208-M224 HydrophobicContact CG2-CE 4.22Å; V208-M224 HydrophobicContact CG2-CG 4.19Å; V208-L228 HydrophobicContact CB-CD1 4.04Å; V208-L228 HydrophobicContact CG1-CD1 4.09Å; V208-L228 HydrophobicContact CG2-CD1 4.08Å; V208-L228 HydrophobicContact CG2-CD2 3.92Å; V208-L228 HydrophobicContact CG2-CG 4.48Å; V208-M342 HydrophobicContact CG1-SD 4.26Å
209Y98.8Very high98.6Very high44 Ų4430.5 Ų30.517%0.17317%0.174CC..Hα-helixtrans-63.1-48.4178.1-172.2-103.1000112.2I205 P206 M207 Y211 Y212 L213 L338 N341 M342 M345I205-Y209 PolarHBondContact O-N 3.41Å; P206-Y209 PolarHBondContact O-N 2.61Å; M207-Y209 VanDerWaalsContact C-N 3.31Å; Y209-Y211 VanDerWaalsContact C-N 3.3Å; Y209-Y211 PolarHBondContact O-N 3.13Å; Y209-Y212 PolarHBondContact O-N 2.92Å; Y209-L213 HydrophobicContact CD1-CD1 3.92Å; Y209-L213 HydrophobicContact CD1-CG 4.26Å; Y209-L213 HydrophobicContact CE1-CD1 3.43Å; Y209-L213 VanDerWaalsContact CE1-CD1 3.43Å; Y209-L213 HydrophobicContact CE1-CD2 4.41Å; Y209-L213 HydrophobicContact CE1-CG 3.95Å; Y209-L213 WeakPolarHBondContact O-CG 3.25Å; Y209-L213 PolarHBondContact O-N 3.18Å; Y209-L338 HydrophobicContact CD1-CD1 4.43Å; Y209-L338 HydrophobicContact CD1-CD2 3.74Å; Y209-L338 HydrophobicContact CD2-CD2 4.1Å; Y209-L338 HydrophobicContact CE1-CD2 3.83Å; Y209-L338 HydrophobicContact CE2-CD2 4.19Å; Y209-L338 HydrophobicContact CG-CD1 4.34Å; Y209-L338 HydrophobicContact CG-CD2 3.87Å; Y209-N341 HydrophobicContact CE2-CB 4.21Å; Y209-M342 HydrophobicContact CD2-CG 3.79Å; Y209-M342 HydrophobicContact CD2-SD 4.2Å; Y209-M342 HydrophobicContact CE2-CG 4.48Å; Y209-M345 HydrophobicContact CE2-CE 3.64Å; Y209-M345 HydrophobicContact CE2-SD 4.44Å
210D98.6Very high98.6Very high35 Ų3530.5 Ų30.519%0.18717%0.174CC..Hα-helixtrans-60.6-40.6176.9-77.6-8.6000111.6K159 L162 P206 M207 L213 A214K159-D210 IonicContact NZ-OD2 3.77Å; K159-D210 PolarHBondContact NZ-OD2 2.85Å; L162-D210 HydrophobicContact CD1-CB 3.94Å; P206-D210 WeakPolarHBondContact O-CB 3.44Å; P206-D210 PolarHBondContact O-N 3.03Å; M207-D210 PolarHBondContact O-N 3.46Å; D210-L213 PolarHBondContact O-N 2.91Å; D210-A214 WeakPolarHBondContact O-CB 3.34Å; D210-A214 PolarHBondContact O-N 2.7Å; D210-A214 VanDerWaalsContact O-N 3.1Å
211Y98.9Very high98.6Very high13 Ų1330.1 Ų30.15%0.05117%0.173CC..Hα-helixtrans-62.1-45.6175.1176.3-98.7000112.2L162 F167 V170 R171 I174 M207 V208 Y209 A214 T215 D217 F220L162-Y211 HydrophobicContact CD2-CD2 4.39Å; F167-Y211 HydrophobicContact CB-CE2 4.28Å; F167-Y211 VanDerWaalsContact O-CE2 3.3Å; F167-Y211 WeakPolarHBondContact O-CE2 3.44Å; V170-Y211 HydrophobicContact CB-CD2 4.12Å; V170-Y211 HydrophobicContact CG1-CD2 3.54Å; V170-Y211 HydrophobicContact CG1-CE2 4.37Å; V170-Y211 HydrophobicContact CG1-CG 4.22Å; R171-Y211 HydrophobicContact CB-CE2 3.94Å; R171-Y211 WeakPolarHBondContact CD-OH 3.18Å; R171-Y211 HydrophobicContact CG-CE1 4.49Å; I174-Y211 HydrophobicContact CD1-CG 4.13Å; M207-Y211 WeakPolarHBondContact O-CB 3.41Å; M207-Y211 PolarHBondContact O-N 3.41Å; V208-Y211 PolarHBondContact O-N 3.06Å; Y209-Y211 VanDerWaalsContact C-N 3.3Å; Y209-Y211 PolarHBondContact O-N 3.13Å; Y211-A214 PolarHBondContact O-N 3.2Å; Y211-T215 HydrophobicContact CD2-CG2 4.06Å; Y211-T215 HydrophobicContact CE1-CG2 4.4Å; Y211-T215 HydrophobicContact CE2-CG2 3.59Å; Y211-T215 WeakPolarHBondContact O-CB 3.18Å; Y211-T215 WeakPolarHBondContact O-CG2 3.36Å; Y211-T215 PolarHBondContact O-N 2.86Å; Y211-T215 VanDerWaalsContact O-N 3.08Å; Y211-T215 PolarHBondContact O-OG1 3.32Å; Y211-D217 HydrophobicContact CE1-CB 3.92Å; Y211-F220 AromaticContact CD1-CD1 3.41Å; Y211-F220 HydrophobicContact CD1-CD1 3.41Å; Y211-F220 VanDerWaalsContact CD1-CD1 3.41Å; Y211-F220 AromaticContact CD1-CE1 3.74Å; Y211-F220 HydrophobicContact CD1-CE1 3.74Å; Y211-F220 HydrophobicContact CE1-CB 4.28Å; Y211-F220 AromaticContact CE1-CD1 3.26Å; Y211-F220 HydrophobicContact CE1-CD1 3.26Å; Y211-F220 AromaticContact CE1-CE1 3.84Å; Y211-F220 HydrophobicContact CE1-CE1 3.84Å; Y211-F220 HydrophobicContact CE1-CG 4.02Å; Y211-F220 HydrophobicContact CG-CE1 4.47Å
212Y98.7Very high98.6Very high48 Ų4834.6 Ų34.619%0.18820%0.197CC..Hα-helixtrans-61.7-45.6176.9173.5-98.8000111.4V208 Y209 A214 T215 G216 I218 L221 M345V208-Y212 PolarHBondContact O-N 2.94Å; Y209-Y212 PolarHBondContact O-N 2.92Å; Y212-A214 PolarHBondContact O-N 3.36Å; Y212-T215 PolarHBondContact O-N 3.38Å; Y212-G216 WeakPolarHBondContact O-CA 3.33Å; Y212-G216 PolarHBondContact O-N 2.93Å; Y212-I218 HydrophobicContact CE2-CB 4.14Å; Y212-I218 HydrophobicContact CE2-CD1 3.68Å; Y212-L221 HydrophobicContact CD2-CB 4.12Å; Y212-L221 HydrophobicContact CD2-CD2 4.02Å; Y212-L221 HydrophobicContact CE2-CD2 4.23Å; Y212-L221 HydrophobicContact CG-CD2 4.17Å; Y212-M345 HydrophobicContact CD1-CE 4.16Å; Y212-M345 HydrophobicContact CD1-SD 3.67Å; Y212-M345 HydrophobicContact CE1-CE 3.81Å; Y212-M345 HydrophobicContact CE1-CG 4.25Å; Y212-M345 HydrophobicContact CE1-SD 3.33Å; Y212-M345 WeakPolarHBondContact CE1-SD 3.3Å
213L98.1Very high98.5Very high106 Ų10638.6 Ų38.656%0.55522%0.215SC*.Hα-helixtrans-59.6-34177.3-70.4-174000112.8Y209 D210Y209-L213 HydrophobicContact CD1-CD1 3.92Å; Y209-L213 HydrophobicContact CD1-CG 4.26Å; Y209-L213 HydrophobicContact CE1-CD1 3.43Å; Y209-L213 VanDerWaalsContact CE1-CD1 3.43Å; Y209-L213 HydrophobicContact CE1-CD2 4.41Å; Y209-L213 HydrophobicContact CE1-CG 3.95Å; Y209-L213 WeakPolarHBondContact O-CG 3.25Å; Y209-L213 PolarHBondContact O-N 3.18Å; D210-L213 PolarHBondContact O-N 2.91Å
214A97.7Very high98.5Very high49 Ų4938.6 Ų38.641%0.40522%0.215SC..Hα-helixtrans-78.7-25.6179.800000114L162 F167 D210 Y211 Y212L162-A214 HydrophobicContact CD1-CB 4.44Å; L162-A214 HydrophobicContact CD2-CB 3.84Å; F167-A214 HydrophobicContact CD1-CB 4.37Å; F167-A214 HydrophobicContact CE1-CB 4.01Å; D210-A214 WeakPolarHBondContact O-CB 3.34Å; D210-A214 PolarHBondContact O-N 2.7Å; D210-A214 VanDerWaalsContact O-N 3.1Å; Y211-A214 PolarHBondContact O-N 3.2Å; Y212-A214 PolarHBondContact O-N 3.36Å
215T98.2Very high98.5Very high52 Ų5238.7 Ų38.732%0.31922%0.216SC..Hα-helixtrans-121.7-26.6-167.760.80000115F167 Y211 Y212 D217F167-T215 HydrophobicContact CB-CG2 3.97Å; F167-T215 HydrophobicContact CD1-CG2 3.72Å; F167-T215 HydrophobicContact CE1-CG2 4.49Å; F167-T215 HydrophobicContact CG-CG2 3.93Å; Y211-T215 HydrophobicContact CD2-CG2 4.06Å; Y211-T215 HydrophobicContact CE1-CG2 4.4Å; Y211-T215 HydrophobicContact CE2-CG2 3.59Å; Y211-T215 WeakPolarHBondContact O-CB 3.18Å; Y211-T215 WeakPolarHBondContact O-CG2 3.36Å; Y211-T215 PolarHBondContact O-N 2.86Å; Y211-T215 VanDerWaalsContact O-N 3.08Å; Y211-T215 PolarHBondContact O-OG1 3.32Å; Y212-T215 PolarHBondContact O-N 3.38Å; T215-D217 PolarHBondContact O-N 3.39Å; T215-D217 WeakPolarHBondContact OG1-CB 3.44Å; T215-D217 PolarHBondContact OG1-N 3.39Å
216G98.2Very high98.5Very high47 Ų4742.4 Ų42.449%0.48524%0.24SC..  trans68.413.9-169.500000114.4Y212 I218Y212-G216 WeakPolarHBondContact O-CA 3.33Å; Y212-G216 PolarHBondContact O-N 2.93Å; G216-I218 VanDerWaalsContact C-N 3.33Å; G216-I218 PolarHBondContact O-N 3.39Å
217D98.4Very high98.5Very high41 Ų4143.8 Ų43.822%0.21925%0.247CC..  trans-72.283.5-177.5-170.9-10.8000111.2R171 Y211 T215 D219 F220 L221R171-D217 IonicContact NE-OD2 3.64Å; Y211-D217 HydrophobicContact CE1-CB 3.92Å; T215-D217 PolarHBondContact O-N 3.39Å; T215-D217 WeakPolarHBondContact OG1-CB 3.44Å; T215-D217 PolarHBondContact OG1-N 3.39Å; D217-D219 VanDerWaalsContact C-N 3.33Å; D217-D219 PolarHBondContact OD1-N 2.95Å; D217-F220 HydrophobicContact CB-CB 4.16Å; D217-F220 PolarHBondContact O-N 3.19Å; D217-F220 WeakPolarHBondContact OD1-CB 3.34Å; D217-F220 PolarHBondContact OD1-N 2.87Å; D217-F220 WeakPolarHBondContact OD2-CB 3.35Å; D217-L221 PolarHBondContact O-N 2.92Å; D217-L221 VanDerWaalsContact O-N 3.15Å
218I98.3Very high98.5Very high62 Ų6243.8 Ų43.832%0.31825%0.247SC..Hα-helixtrans-67.5-32.6-178.4-165.269.1000112.4Y212 G216 L221 D222 M345 V346Y212-I218 HydrophobicContact CE2-CB 4.14Å; Y212-I218 HydrophobicContact CE2-CD1 3.68Å; G216-I218 VanDerWaalsContact C-N 3.33Å; G216-I218 PolarHBondContact O-N 3.39Å; I218-L221 HydrophobicContact CD1-CD2 3.95Å; I218-L221 WeakPolarHBondContact O-CB 3.36Å; I218-L221 PolarHBondContact O-N 3.5Å; I218-D222 PolarHBondContact O-N 2.76Å; I218-M345 HydrophobicContact CD1-CB 4.15Å; I218-V346 HydrophobicContact CD1-CG1 4.09Å
219D98.4Very high98.5Very high129 Ų12944.4 Ų44.469%0.6925%0.25SC*.Hα-helixtrans-67.1-41.7179.5-66.6-28000110.1D217 D222 E223D217-D219 VanDerWaalsContact C-N 3.33Å; D217-D219 PolarHBondContact OD1-N 2.95Å; D219-D222 PolarHBondContact O-N 3.48Å; D219-E223 WeakPolarHBondContact O-CB 3.5Å; D219-E223 PolarHBondContact O-N 3.47Å
220F98.6Very high98.5Very high0 Ų045.7 Ų45.70%026%0.256CS..Hα-helixtrans-68-34.7174.2-175-111.6000112.9R171 I174 R175 Y211 D217 E223 M224R171-F220 HydrophobicContact CG-CD1 4.27Å; R171-F220 HydrophobicContact CG-CD2 3.96Å; R171-F220 HydrophobicContact CG-CE1 4.04Å; R171-F220 HydrophobicContact CG-CE2 3.76Å; R171-F220 HydrophobicContact CG-CG 4.2Å; R171-F220 HydrophobicContact CG-CZ 3.77Å; I174-F220 HydrophobicContact CB-CE1 4.3Å; I174-F220 HydrophobicContact CB-CZ 4.06Å; I174-F220 HydrophobicContact CD1-CE1 4.41Å; I174-F220 HydrophobicContact CG2-CE1 3.83Å; I174-F220 HydrophobicContact CG2-CZ 3.63Å; R175-F220 HydrophobicContact CG-CE2 3.55Å; R175-F220 HydrophobicContact CG-CZ 3.96Å; Y211-F220 AromaticContact CD1-CD1 3.41Å; Y211-F220 HydrophobicContact CD1-CD1 3.41Å; Y211-F220 VanDerWaalsContact CD1-CD1 3.41Å; Y211-F220 AromaticContact CD1-CE1 3.74Å; Y211-F220 HydrophobicContact CD1-CE1 3.74Å; Y211-F220 HydrophobicContact CE1-CB 4.28Å; Y211-F220 AromaticContact CE1-CD1 3.26Å; Y211-F220 HydrophobicContact CE1-CD1 3.26Å; Y211-F220 AromaticContact CE1-CE1 3.84Å; Y211-F220 HydrophobicContact CE1-CE1 3.84Å; Y211-F220 HydrophobicContact CE1-CG 4.02Å; Y211-F220 HydrophobicContact CG-CE1 4.47Å; D217-F220 HydrophobicContact CB-CB 4.16Å; D217-F220 PolarHBondContact O-N 3.19Å; D217-F220 WeakPolarHBondContact OD1-CB 3.34Å; D217-F220 PolarHBondContact OD1-N 2.87Å; D217-F220 WeakPolarHBondContact OD2-CB 3.35Å; F220-E223 PolarHBondContact O-N 2.91Å; F220-M224 HydrophobicContact CD1-CG 4.36Å; F220-M224 HydrophobicContact CD2-CG 4.3Å; F220-M224 HydrophobicContact CE1-CG 3.94Å; F220-M224 HydrophobicContact CE2-CG 3.8Å; F220-M224 HydrophobicContact CE2-SD 4.02Å; F220-M224 HydrophobicContact CZ-CG 3.64Å; F220-M224 HydrophobicContact CZ-SD 3.94Å; F220-M224 WeakPolarHBondContact O-CG 3.38Å; F220-M224 PolarHBondContact O-N 2.89Å; F220-M224 VanDerWaalsContact O-N 3.11Å
221L98.7Very high98.5Very high1 Ų144.1 Ų44.11%0.00525%0.248CC..Hα-helixtrans-59.9-49.6173179.163.8000111V208 Y212 D217 I218 E223 M224 L225 M342 M345 V346V208-L221 HydrophobicContact CG1-CD1 3.58Å; Y212-L221 HydrophobicContact CD2-CB 4.12Å; Y212-L221 HydrophobicContact CD2-CD2 4.02Å; Y212-L221 HydrophobicContact CE2-CD2 4.23Å; Y212-L221 HydrophobicContact CG-CD2 4.17Å; D217-L221 PolarHBondContact O-N 2.92Å; D217-L221 VanDerWaalsContact O-N 3.15Å; I218-L221 HydrophobicContact CD1-CD2 3.95Å; I218-L221 WeakPolarHBondContact O-CB 3.36Å; I218-L221 PolarHBondContact O-N 3.5Å; L221-E223 PolarHBondContact O-N 3.43Å; L221-M224 PolarHBondContact O-N 3.19Å; L221-L225 WeakPolarHBondContact O-CG 3.23Å; L221-L225 PolarHBondContact O-N 3.26Å; L221-L225 VanDerWaalsContact O-N 3.1Å; L221-M342 HydrophobicContact CD1-CB 3.99Å; L221-M342 HydrophobicContact CD1-CG 3.75Å; L221-M342 HydrophobicContact CD1-SD 3.5Å; L221-M342 VanDerWaalsContact CD1-SD 3.5Å; L221-M342 HydrophobicContact CD2-CB 4.23Å; L221-M342 HydrophobicContact CD2-CG 4.35Å; L221-M342 HydrophobicContact CG-CB 4.5Å; L221-M345 HydrophobicContact CD2-CB 4Å; L221-M345 HydrophobicContact CD2-SD 3.96Å; L221-V346 HydrophobicContact CD2-CG1 4.26Å; L221-V346 HydrophobicContact CG-CG1 4.45Å
222D98.3Very high98.5Very high94 Ų9443.9 Ų43.950%0.50325%0.247SC..Hα-helixtrans-63.2-40.1179.8-166.650.8000112.1I218 D219 M224 L225 P226 V346I218-D222 PolarHBondContact O-N 2.76Å; D219-D222 PolarHBondContact O-N 3.48Å; D222-M224 VanDerWaalsContact C-N 3.3Å; D222-M224 PolarHBondContact O-N 3.38Å; D222-L225 PolarHBondContact O-N 3.46Å; D222-P226 WeakPolarHBondContact O-CD 3.4Å; D222-V346 HydrophobicContact CB-CG1 4.17Å
223E98.2Very high98.5Very high84 Ų8448 Ų4839%0.39326%0.262SS..Hα-helixtrans-55.6-43.3172.6179.3-171.8145.400112.1R175 D219 F220 L221R175-E223 IonicContact CZ-OE1 3.6Å; R175-E223 IonicContact CZ-OE2 3.43Å; R175-E223 IonicContact NE-OE1 2.82Å; R175-E223 PolarHBondContact NE-OE1 3.2Å; R175-E223 IonicContact NE-OE2 3.53Å; R175-E223 VanDerWaalsContact NH2-CD 3.28Å; R175-E223 IonicContact NH2-OE1 2.69Å; R175-E223 PolarHBondContact NH2-OE1 3.37Å; R175-E223 IonicContact NH2-OE2 2.73Å; R175-E223 PolarHBondContact NH2-OE2 3.3Å; D219-E223 WeakPolarHBondContact O-CB 3.5Å; D219-E223 PolarHBondContact O-N 3.47Å; F220-E223 PolarHBondContact O-N 2.91Å; L221-E223 PolarHBondContact O-N 3.43Å
224M98.8Very high98.5Very high1 Ų143.7 Ų43.71%0.00524%0.239CC..Hα-helixtrans-80.5-30-173.8-71.8-59.7-55.100113.5I174 V208 F220 L221 D222 L227 L228I174-M224 HydrophobicContact CG2-CE 3.77Å; I174-M224 HydrophobicContact CG2-CG 4.32Å; I174-M224 HydrophobicContact CG2-SD 4.14Å; V208-M224 HydrophobicContact CG1-CB 4.14Å; V208-M224 HydrophobicContact CG2-CB 4.1Å; V208-M224 HydrophobicContact CG2-CE 4.22Å; V208-M224 HydrophobicContact CG2-CG 4.19Å; F220-M224 HydrophobicContact CD1-CG 4.36Å; F220-M224 HydrophobicContact CD2-CG 4.3Å; F220-M224 HydrophobicContact CE1-CG 3.94Å; F220-M224 HydrophobicContact CE2-CG 3.8Å; F220-M224 HydrophobicContact CE2-SD 4.02Å; F220-M224 HydrophobicContact CZ-CG 3.64Å; F220-M224 HydrophobicContact CZ-SD 3.94Å; F220-M224 WeakPolarHBondContact O-CG 3.38Å; F220-M224 PolarHBondContact O-N 2.89Å; F220-M224 VanDerWaalsContact O-N 3.11Å; L221-M224 PolarHBondContact O-N 3.19Å; D222-M224 VanDerWaalsContact C-N 3.3Å; D222-M224 PolarHBondContact O-N 3.38Å; M224-L227 HydrophobicContact CE-CB 4.45Å; M224-L227 HydrophobicContact CE-CD1 4.12Å; M224-L227 WeakPolarHBondContact O-CA 3.29Å; M224-L227 WeakPolarHBondContact O-CB 3.42Å; M224-L227 PolarHBondContact O-N 2.92Å; M224-L227 HydrophobicContact SD-CD1 4.12Å; M224-L228 HydrophobicContact CB-CG 4.45Å; M224-L228 WeakPolarHBondContact O-CG 3.26Å; M224-L228 PolarHBondContact O-N 3.4Å
225L98.8Very high98.5Very high2 Ų241.4 Ų41.41%0.0122%0.22CC..Hα-helixtrans-49-46.4-173.4-85.2171.6000114.8L221 D222 L227 L228 E229 L339 M342 Y343 V346L221-L225 WeakPolarHBondContact O-CG 3.23Å; L221-L225 PolarHBondContact O-N 3.26Å; L221-L225 VanDerWaalsContact O-N 3.1Å; D222-L225 PolarHBondContact O-N 3.46Å; L225-L227 VanDerWaalsContact C-N 3.29Å; L225-L227 PolarHBondContact O-N 3.48Å; L225-L228 HydrophobicContact CD2-CD1 4.49Å; L225-L228 PolarHBondContact O-N 3.07Å; L225-E229 PolarHBondContact O-N 3.42Å; L225-L339 HydrophobicContact CD2-CD2 4.4Å; L225-M342 HydrophobicContact CD2-CB 3.88Å; L225-M342 HydrophobicContact CD2-CE 4.35Å; L225-Y343 HydrophobicContact CB-CE1 4.26Å; L225-Y343 HydrophobicContact CD1-CD1 3.95Å; L225-Y343 HydrophobicContact CD1-CE1 3.8Å; L225-Y343 HydrophobicContact CD2-CD1 4.38Å; L225-Y343 HydrophobicContact CD2-CD2 4.29Å; L225-Y343 HydrophobicContact CD2-CE1 4.09Å; L225-Y343 HydrophobicContact CD2-CE2 3.99Å; L225-Y343 HydrophobicContact CD2-CG 4.47Å; L225-Y343 HydrophobicContact CG-CE1 4.29Å; L225-V346 HydrophobicContact CD1-CB 4.31Å; L225-V346 HydrophobicContact CD1-CG1 3.82Å; L225-V346 HydrophobicContact CD1-CG2 3.52Å
226P98.5Very high98.5Very high78 Ų7841.1 Ų41.151%0.50622%0.216SC..Hα-helixtrans-60.6-35.2176.6-24.835000114D222 K230D222-P226 WeakPolarHBondContact O-CD 3.4Å; P226-K230 WeakPolarHBondContact O-CB 3.49Å; P226-K230 PolarHBondContact O-N 2.54Å
227L98.8Very high98.5Very high32 Ų3247.9 Ų47.917%0.16823%0.227CC..Hα-helixtrans-71.4-42.2176.7-58.9175.3000110.3V181 E182 M224 L225 E229 K230 E231V181-L227 WeakPolarHBondContact CG1-O 3.48Å; E182-L227 HydrophobicContact CB-CD2 4.01Å; M224-L227 HydrophobicContact CE-CB 4.45Å; M224-L227 HydrophobicContact CE-CD1 4.12Å; M224-L227 WeakPolarHBondContact O-CA 3.29Å; M224-L227 WeakPolarHBondContact O-CB 3.42Å; M224-L227 PolarHBondContact O-N 2.92Å; M224-L227 HydrophobicContact SD-CD1 4.12Å; L225-L227 VanDerWaalsContact C-N 3.29Å; L225-L227 PolarHBondContact O-N 3.48Å; L227-E229 PolarHBondContact O-N 2.87Å; L227-K230 WeakPolarHBondContact O-CB 3.41Å; L227-K230 PolarHBondContact O-N 2.86Å; L227-K230 VanDerWaalsContact O-N 3.07Å; L227-E231 PolarHBondContact O-N 3.4Å
228L98.9Very high98.4Very high0 Ų051.1 Ų51.10%024%0.239CC..Hα-helixtrans-59.2-44.8175.8-59.2-176.6000112L204 I205 V208 M224 L225 K230 E231 Y232 L339 M342L204-L228 HydrophobicContact CB-CD2 4.39Å; L204-L228 HydrophobicContact CD2-CD2 3.87Å; L204-L228 HydrophobicContact CG-CD2 3.56Å; I205-L228 HydrophobicContact CD1-CB 4.48Å; I205-L228 HydrophobicContact CG1-CB 3.85Å; I205-L228 HydrophobicContact CG1-CD1 4.17Å; I205-L228 HydrophobicContact CG1-CD2 3.91Å; I205-L228 HydrophobicContact CG1-CG 4.18Å; V208-L228 HydrophobicContact CB-CD1 4.04Å; V208-L228 HydrophobicContact CG1-CD1 4.09Å; V208-L228 HydrophobicContact CG2-CD1 4.08Å; V208-L228 HydrophobicContact CG2-CD2 3.92Å; V208-L228 HydrophobicContact CG2-CG 4.48Å; M224-L228 HydrophobicContact CB-CG 4.45Å; M224-L228 WeakPolarHBondContact O-CG 3.26Å; M224-L228 PolarHBondContact O-N 3.4Å; L225-L228 HydrophobicContact CD2-CD1 4.49Å; L225-L228 PolarHBondContact O-N 3.07Å; L228-K230 VanDerWaalsContact C-N 3.32Å; L228-K230 PolarHBondContact O-N 2.96Å; L228-E231 PolarHBondContact O-N 3.35Å; L228-Y232 WeakPolarHBondContact O-CB 3.28Å; L228-Y232 PolarHBondContact O-N 2.86Å; L228-L339 HydrophobicContact CB-CD2 4.02Å; L228-M342 HydrophobicContact CD1-CE 3.68Å; L228-M342 HydrophobicContact CD1-SD 4.21Å
229E98.5Very high98.4Very high14 Ų1449 Ų497%0.06523%0.227CC..Hα-helixtrans-65.7-35.1173.9-70.3-158.2159.300113L225 L227 Y232 R233 Y343 K351 Y355L225-E229 PolarHBondContact O-N 3.42Å; L227-E229 PolarHBondContact O-N 2.87Å; E229-Y232 PolarHBondContact O-N 3.31Å; E229-R233 WeakPolarHBondContact O-CB 3.41Å; E229-R233 VanDerWaalsContact O-CG 3.29Å; E229-R233 WeakPolarHBondContact O-CG 3.1Å; E229-R233 PolarHBondContact O-N 3.1Å; E229-R233 PolarHBondContact O-NE 2.74Å; E229-Y343 HydrophobicContact CG-CE2 3.97Å; E229-Y343 WeakPolarHBondContact CG-OH 3.49Å; E229-Y343 WeakPolarHBondContact OE1-CE2 3.21Å; E229-Y343 PolarHBondContact OE1-OH 3.23Å; E229-K351 VanDerWaalsContact OE1-CD 3.28Å; E229-K351 WeakPolarHBondContact OE1-CD 3.29Å; E229-K351 WeakPolarHBondContact OE1-CE 3.49Å; E229-K351 IonicContact OE1-NZ 2.66Å; E229-K351 PolarHBondContact OE1-NZ 2.98Å; E229-K351 IonicContact OE2-NZ 2.77Å; E229-K351 PolarHBondContact OE2-NZ 3.02Å; E229-Y355 HydrophobicContact CG-CE2 4.46Å; E229-Y355 WeakPolarHBondContact CG-OH 3.47Å; E229-Y355 VanDerWaalsContact OE1-CE2 3.29Å; E229-Y355 WeakPolarHBondContact OE1-CE2 3.39Å; E229-Y355 PolarHBondContact OE1-OH 3.45Å
230K98.8Very high98.4Very high72 Ų7244.2 Ų44.231%0.31321%0.208SC..Hα-helixtrans-62.4-45.6177.5-177.2172.2173.5-175.40110.7V181 E182 P226 L227 L228 R233 F234V181-K230 HydrophobicContact CG1-CB 3.88Å; V181-K230 HydrophobicContact CG1-CD 4.07Å; V181-K230 HydrophobicContact CG1-CG 3.88Å; V181-K230 WeakPolarHBondContact O-CE 3.48Å; V181-K230 PolarHBondContact O-NZ 2.92Å; E182-K230 PolarHBondContact O-NZ 2.76Å; P226-K230 WeakPolarHBondContact O-CB 3.49Å; P226-K230 PolarHBondContact O-N 2.54Å; L227-K230 WeakPolarHBondContact O-CB 3.41Å; L227-K230 PolarHBondContact O-N 2.86Å; L227-K230 VanDerWaalsContact O-N 3.07Å; L228-K230 VanDerWaalsContact C-N 3.32Å; L228-K230 PolarHBondContact O-N 2.96Å; K230-R233 PolarHBondContact O-N 3.01Å; K230-F234 PolarHBondContact O-N 2.97Å; K230-F234 VanDerWaalsContact O-N 3.13Å
231E98.8Very high98.3Very high2 Ų246.3 Ų46.31%0.00922%0.222CC..Hα-helixtrans-66.9-44.5174.2-170.7-173.6-160.500112Y151 V181 L204 L227 L228 R233 F234 W235Y151-E231 WeakPolarHBondContact CE1-OE1 3.21Å; Y151-E231 PolarHBondContact OH-OE1 3.24Å; Y151-E231 PolarHBondContact OH-OE2 3.36Å; V181-E231 HydrophobicContact CG1-CB 3.99Å; V181-E231 HydrophobicContact CG2-CB 3.97Å; V181-E231 HydrophobicContact CG2-CG 4.32Å; L204-E231 WeakPolarHBondContact CB-OE2 3.34Å; L227-E231 PolarHBondContact O-N 3.4Å; L228-E231 PolarHBondContact O-N 3.35Å; E231-R233 PolarHBondContact O-N 3.41Å; E231-F234 WeakPolarHBondContact O-CA 3.45Å; E231-F234 VanDerWaalsContact O-CB 3.24Å; E231-F234 WeakPolarHBondContact O-CB 3.4Å; E231-F234 PolarHBondContact O-N 2.86Å; E231-W235 VanDerWaalsContact O-CD1 3.29Å; E231-W235 PolarHBondContact O-N 3.17Å; E231-W235 VanDerWaalsContact O-N 3.15Å
232Y98.7Very high98.1Very high7 Ų750.8 Ų50.83%0.02725%0.25CS..Hα-helixtrans-56.2-39.2176.9-175.3-96.8000111.8L228 E229 W235 L236 M332 N335 T336 L339 Y355L228-Y232 WeakPolarHBondContact O-CB 3.28Å; L228-Y232 PolarHBondContact O-N 2.86Å; E229-Y232 PolarHBondContact O-N 3.31Å; Y232-W235 PolarHBondContact O-N 3.07Å; Y232-L236 HydrophobicContact CD1-CD1 3.85Å; Y232-L236 HydrophobicContact CD1-CG 4.17Å; Y232-L236 HydrophobicContact CE1-CD1 3.57Å; Y232-L236 HydrophobicContact CE1-CD2 4.11Å; Y232-L236 HydrophobicContact CE1-CG 3.83Å; Y232-L236 PolarHBondContact O-N 2.82Å; Y232-M332 HydrophobicContact CD2-CE 3.57Å; Y232-M332 HydrophobicContact CE2-CE 3.29Å; Y232-M332 HydrophobicContact CG-CE 4.46Å; Y232-N335 HydrophobicContact CD2-CB 4.21Å; Y232-N335 HydrophobicContact CE2-CB 4.32Å; Y232-T336 HydrophobicContact CE2-CG2 3.73Å; Y232-T336 WeakPolarHBondContact OH-CG2 3.35Å; Y232-L339 HydrophobicContact CD1-CD1 4.42Å; Y232-L339 HydrophobicContact CD2-CD1 4.01Å; Y232-L339 HydrophobicContact CG-CD1 3.93Å; Y232-Y355 AromaticContact CD1-CE1 3.95Å; Y232-Y355 HydrophobicContact CD1-CE1 3.95Å; Y232-Y355 AromaticContact CE1-CE1 3.85Å; Y232-Y355 HydrophobicContact CE1-CE1 3.85Å
233R98.5Very high98Very high134 Ų13448 Ų4851%0.50623%0.233SC..Hα-helixtrans-67.4-31.2172.9-74.8-179.7-63.4-156.7-1.8113.6E229 K230 E231 W235 R237E229-R233 WeakPolarHBondContact O-CB 3.41Å; E229-R233 VanDerWaalsContact O-CG 3.29Å; E229-R233 WeakPolarHBondContact O-CG 3.1Å; E229-R233 PolarHBondContact O-N 3.1Å; E229-R233 PolarHBondContact O-NE 2.74Å; K230-R233 PolarHBondContact O-N 3.01Å; E231-R233 PolarHBondContact O-N 3.41Å; R233-W235 VanDerWaalsContact C-N 3.34Å; R233-R237 VanDerWaalsContact O-CB 3.31Å; R233-R237 WeakPolarHBondContact O-CB 3.37Å; R233-R237 PolarHBondContact O-N 3.2Å
234F98.3Very high97.9Very high16 Ų1647.4 Ų47.47%0.0724%0.238CC..Hα-helixtrans-58.4-49.3170159.8-90.9000110.1G185 F186 K230 E231 L236 R237 K238G185-F234 WeakPolarHBondContact O-CB 3.46Å; F186-F234 HydrophobicContact CB-CB 4.1Å; F186-F234 HydrophobicContact CB-CD1 3.55Å; F186-F234 HydrophobicContact CB-CD2 3.74Å; F186-F234 HydrophobicContact CB-CE1 3.82Å; F186-F234 HydrophobicContact CB-CE2 3.99Å; F186-F234 HydrophobicContact CB-CG 3.52Å; F186-F234 HydrophobicContact CB-CZ 4.03Å; F186-F234 AromaticContact CD1-CD2 3.8Å; F186-F234 HydrophobicContact CD1-CD2 3.8Å; F186-F234 AromaticContact CD1-CE2 3.59Å; F186-F234 HydrophobicContact CD1-CE2 3.59Å; F186-F234 HydrophobicContact CD1-CG 4.47Å; F186-F234 HydrophobicContact CD1-CZ 4.12Å; F186-F234 HydrophobicContact CD2-CE1 4.17Å; F186-F234 HydrophobicContact CD2-CE2 4.22Å; F186-F234 AromaticContact CD2-CZ 3.89Å; F186-F234 HydrophobicContact CD2-CZ 3.89Å; F186-F234 HydrophobicContact CE1-CE2 4.13Å; F186-F234 HydrophobicContact CE2-CZ 4.41Å; F186-F234 HydrophobicContact CG-CD1 4.2Å; F186-F234 AromaticContact CG-CD2 3.88Å; F186-F234 HydrophobicContact CG-CD2 3.88Å; F186-F234 HydrophobicContact CG-CE1 4.01Å; F186-F234 AromaticContact CG-CE2 3.66Å; F186-F234 HydrophobicContact CG-CE2 3.66Å; F186-F234 HydrophobicContact CG-CG 4.15Å; F186-F234 AromaticContact CG-CZ 3.74Å; F186-F234 HydrophobicContact CG-CZ 3.74Å; K230-F234 PolarHBondContact O-N 2.97Å; K230-F234 VanDerWaalsContact O-N 3.13Å; E231-F234 WeakPolarHBondContact O-CA 3.45Å; E231-F234 VanDerWaalsContact O-CB 3.24Å; E231-F234 WeakPolarHBondContact O-CB 3.4Å; E231-F234 PolarHBondContact O-N 2.86Å; F234-L236 PolarHBondContact O-N 3.31Å; F234-R237 PolarHBondContact O-N 2.83Å; F234-K238 HydrophobicContact CD2-CB 3.99Å; F234-K238 HydrophobicContact CD2-CG 3.69Å; F234-K238 HydrophobicContact CE2-CB 3.8Å; F234-K238 HydrophobicContact CE2-CG 3.77Å; F234-K238 HydrophobicContact CZ-CB 4.19Å; F234-K238 VanDerWaalsContact O-CB 3.27Å; F234-K238 WeakPolarHBondContact O-CB 3.41Å; F234-K238 PolarHBondContact O-N 3.02Å
235W98.6Very high97.6Very high1 Ų148.7 Ų48.70%0.00425%0.246CC..Hα-helixtrans-60.7-48.2178.5-72.295.7000112.3S199 Q200 P202 E231 Y232 R233 R237 R239 G240 F253 Y255 L328 M332S199-W235 VanDerWaalsContact OG-CZ2 3.28Å; S199-W235 WeakPolarHBondContact OG-CZ2 3.45Å; Q200-W235 VanDerWaalsContact O-CZ2 3.22Å; Q200-W235 WeakPolarHBondContact O-CZ2 3.36Å; P202-W235 HydrophobicContact CB-CD2 4.37Å; P202-W235 HydrophobicContact CB-CZ2 3.75Å; P202-W235 HydrophobicContact CG-CD2 4.28Å; P202-W235 HydrophobicContact CG-CH2 4.47Å; P202-W235 HydrophobicContact CG-CZ2 3.93Å; E231-W235 VanDerWaalsContact O-CD1 3.29Å; E231-W235 PolarHBondContact O-N 3.17Å; E231-W235 VanDerWaalsContact O-N 3.15Å; Y232-W235 PolarHBondContact O-N 3.07Å; R233-W235 VanDerWaalsContact C-N 3.34Å; W235-R237 VanDerWaalsContact C-N 3.26Å; W235-R237 PolarHBondContact O-N 2.99Å; W235-R239 HydrophobicContact CD2-CG 4.41Å; W235-R239 HydrophobicContact CE3-CB 3.56Å; W235-R239 HydrophobicContact CE3-CG 3.55Å; W235-R239 HydrophobicContact CZ3-CB 4.02Å; W235-R239 HydrophobicContact CZ3-CG 3.69Å; W235-R239 CarbonylContact O-C 3.56Å; W235-R239 WeakPolarHBondContact O-CA 3.35Å; W235-R239 PolarHBondContact O-N 3.18Å; W235-G240 PolarHBondContact O-N 3.32Å; W235-F253 HydrophobicContact CB-CD1 4.47Å; W235-F253 HydrophobicContact CB-CE1 4.41Å; W235-Y255 HydrophobicContact CH2-CD1 4.23Å; W235-Y255 AromaticContact CH2-CE1 3.92Å; W235-Y255 HydrophobicContact CH2-CE1 3.92Å; W235-Y255 HydrophobicContact CZ3-CD1 4.19Å; W235-Y255 HydrophobicContact CZ3-CE1 4.1Å; W235-L328 HydrophobicContact CE3-CD1 3.83Å; W235-L328 HydrophobicContact CE3-CD2 4.4Å; W235-L328 HydrophobicContact CH2-CD1 3.99Å; W235-L328 HydrophobicContact CZ3-CD1 3.46Å; W235-L328 VanDerWaalsContact CZ3-CD1 3.46Å; W235-L328 HydrophobicContact CZ3-CD2 3.94Å; W235-L328 HydrophobicContact CZ3-CG 4.33Å; W235-M332 HydrophobicContact CB-CE 3.41Å; W235-M332 VanDerWaalsContact CB-CE 3.41Å; W235-M332 HydrophobicContact CB-SD 3.8Å; W235-M332 HydrophobicContact CD2-SD 4.24Å; W235-M332 HydrophobicContact CG-CE 4.08Å; W235-M332 HydrophobicContact CG-SD 3.84Å
236L97.8Very high97Very high47 Ų4753.4 Ų53.425%0.24628%0.279CS..Hα-helixtrans-52.8-43.6174.9-70.7176.3000112.7Y232 F234 G240 F253Y232-L236 HydrophobicContact CD1-CD1 3.85Å; Y232-L236 HydrophobicContact CD1-CG 4.17Å; Y232-L236 HydrophobicContact CE1-CD1 3.57Å; Y232-L236 HydrophobicContact CE1-CD2 4.11Å; Y232-L236 HydrophobicContact CE1-CG 3.83Å; Y232-L236 PolarHBondContact O-N 2.82Å; F234-L236 PolarHBondContact O-N 3.31Å; L236-G240 WeakPolarHBondContact O-CA 3.35Å; L236-F253 HydrophobicContact CD2-CE1 3.91Å; L236-F253 HydrophobicContact CD2-CZ 3.74Å
237R97.4Very high96.6Very high188 Ų18858.1 Ų58.171%0.70930%0.3SS*.Hα-helixtrans-85.2-36-173-176179.763.3168.7-0.7113.8R233 F234 W235R233-R237 VanDerWaalsContact O-CB 3.31Å; R233-R237 WeakPolarHBondContact O-CB 3.37Å; R233-R237 PolarHBondContact O-N 3.2Å; F234-R237 PolarHBondContact O-N 2.83Å; W235-R237 VanDerWaalsContact C-N 3.26Å; W235-R237 PolarHBondContact O-N 2.99Å
238K97.3Very high96.4Very high110 Ų11061.4 Ų61.448%0.47831%0.313SS..Hα-helixtrans-106.7-18.7-167.9-65.1-61.6-166.7171.40113.5F234F234-K238 HydrophobicContact CD2-CB 3.99Å; F234-K238 HydrophobicContact CD2-CG 3.69Å; F234-K238 HydrophobicContact CE2-CB 3.8Å; F234-K238 HydrophobicContact CE2-CG 3.77Å; F234-K238 HydrophobicContact CZ-CB 4.19Å; F234-K238 VanDerWaalsContact O-CB 3.27Å; F234-K238 WeakPolarHBondContact O-CB 3.41Å; F234-K238 PolarHBondContact O-N 3.02Å
239R97.6Very high96.3Very high18 Ų1865.2 Ų65.27%0.06834%0.336CS..THydrogen-bonded Turntrans-130.2-14.4-177.6-59.9-63.8178.7-92.6-1.8112.7W235 F253 Q254 K256 E295W235-R239 HydrophobicContact CD2-CG 4.41Å; W235-R239 HydrophobicContact CE3-CB 3.56Å; W235-R239 HydrophobicContact CE3-CG 3.55Å; W235-R239 HydrophobicContact CZ3-CB 4.02Å; W235-R239 HydrophobicContact CZ3-CG 3.69Å; W235-R239 CarbonylContact O-C 3.56Å; W235-R239 WeakPolarHBondContact O-CA 3.35Å; W235-R239 PolarHBondContact O-N 3.18Å; R239-F253 WeakPolarHBondContact O-CA 3.3Å; R239-Q254 WeakPolarHBondContact CB-O 3.18Å; R239-Q254 VanDerWaalsContact CD-O 3.23Å; R239-Q254 WeakPolarHBondContact CD-O 3.46Å; R239-Q254 PolarHBondContact O-N 3.21Å; R239-K256 VanDerWaalsContact CZ-O 3.25Å; R239-K256 PolarHBondContact NH1-O 2.87Å; R239-E295 WeakPolarHBondContact CD-OE2 3.17Å; R239-E295 IonicContact CZ-OE1 2.7Å; R239-E295 VanDerWaalsContact CZ-OE1 3.31Å; R239-E295 IonicContact CZ-OE2 3.81Å; R239-E295 VanDerWaalsContact NE-CD 3.29Å; R239-E295 IonicContact NE-OE1 2.63Å; R239-E295 PolarHBondContact NE-OE1 3.31Å; R239-E295 VanDerWaalsContact NE-OE1 3.07Å; R239-E295 IonicContact NE-OE2 3.32Å; R239-E295 PolarHBondContact NE-OE2 2.82Å; R239-E295 IonicContact NH2-OE1 3.57Å; R239-E295 PolarHBondContact NH2-OE1 3.41Å; R239-E295 IonicContact NH2-OE2 2.85Å
240G97.5Very high96.2Very high27 Ų2765.1 Ų65.128%0.27834%0.336SS..EExtended strand (participates in β ladder)trans-78.2142.4173.900000112.4W235 L236 V252W235-G240 PolarHBondContact O-N 3.32Å; L236-G240 WeakPolarHBondContact O-CA 3.35Å; G240-V252 CarbonylContact C-O 3.54Å; G240-V252 WeakPolarHBondContact CA-O 3.27Å
241S96.4Very high96Very high44 Ų4465.4 Ų65.431%0.30834%0.34SS..EExtended strand (participates in β ladder)trans-149.8176.9169.761.40000108.8D251 V252S241-D251 WeakPolarHBondContact O-CA 3.47Å; S241-V252 PolarHBondContact N-O 2.82Å; S241-V252 PolarHBondContact O-N 3.14Å; S241-V252 VanDerWaalsContact O-O 3.12Å; S241-V252 WeakPolarHBondContact OG-CG2 3.48Å
242T96.5Very high96Very high96 Ų9665.3 Ų65.359%0.58934%0.34SS*.EExtended strand (participates in β ladder)trans-110.1135.9177.3570000110.9T249 F250T242-T249 HydrophobicContact CG2-CG2 4.11Å; T242-F250 CarbonylContact C-O 3.54Å; T242-F250 VanDerWaalsContact CA-O 3.29Å; T242-F250 WeakPolarHBondContact CA-O 3.38Å
243Y96Very high96Very high36 Ų3665.7 Ų65.714%0.14134%0.342CS..EExtended strand (participates in β ladder)trans-122.4137.2172.4-173.1-110.9000110.8V245 T249 F250 I324 I369 Y381 L383Y243-V245 HydrophobicContact CD1-CB 4.42Å; Y243-V245 HydrophobicContact CE1-CB 4.09Å; Y243-T249 WeakPolarHBondContact O-CA 3.48Å; Y243-F250 PolarHBondContact N-O 2.75Å; Y243-F250 PolarHBondContact O-N 2.88Å; Y243-I324 HydrophobicContact CD1-CD1 4.45Å; Y243-I324 HydrophobicContact CD2-CD1 4.48Å; Y243-I324 HydrophobicContact CG-CD1 4.13Å; Y243-I369 HydrophobicContact CD1-CD1 3.95Å; Y243-I369 HydrophobicContact CD1-CG1 4.22Å; Y243-Y381 HydrophobicContact CE1-CD1 4.25Å; Y243-Y381 AromaticContact CE1-CE1 3.67Å; Y243-Y381 HydrophobicContact CE1-CE1 3.67Å; Y243-Y381 AromaticContact CE1-CZ 3.92Å; Y243-Y381 HydrophobicContact CE2-CE1 4.25Å; Y243-Y381 AromaticContact CZ-CE1 3.41Å; Y243-Y381 VanDerWaalsContact CZ-CE1 3.41Å; Y243-Y381 AromaticContact CZ-CZ 3.87Å; Y243-Y381 WeakPolarHBondContact OH-CE1 3.49Å; Y243-Y381 VanDerWaalsContact OH-CZ 3.29Å; Y243-Y381 PolarHBondContact OH-OH 2.95Å; Y243-L383 HydrophobicContact CD2-CD2 3.57Å; Y243-L383 HydrophobicContact CE2-CD2 3.57Å; Y243-L383 HydrophobicContact CG-CD2 4.41Å
244S95.3Very high96Very high70 Ų7059.4 Ų59.449%0.4932%0.318SS..EExtended strand (participates in β ladder)trans-108121.8-179.2-63.10000110.8K248 T249S244-K248 CarbonylContact C-O 3.58Å; S244-K248 VanDerWaalsContact CA-O 3.31Å; S244-K248 WeakPolarHBondContact CA-O 3.44Å; S244-T249 PolarHBondContact OG-OG1 3.07Å
245V91.7Very high96Very high29 Ų2958.7 Ų58.718%0.17632%0.315CS..EExtended strand (participates in β ladder)trans-133.7134.3175.4640000109Y243 N247 K248 F250 K368 I369Y243-V245 HydrophobicContact CD1-CB 4.42Å; Y243-V245 HydrophobicContact CE1-CB 4.09Å; V245-N247 VanDerWaalsContact C-N 3.34Å; V245-N247 PolarHBondContact O-N 2.89Å; V245-K248 PolarHBondContact N-O 2.69Å; V245-K248 PolarHBondContact O-N 2.82Å; V245-K248 VanDerWaalsContact O-O 3.1Å; V245-F250 HydrophobicContact CG1-CD2 3.93Å; V245-F250 HydrophobicContact CG1-CE2 3.7Å; V245-K368 HydrophobicContact CG1-CB 4.02Å; V245-I369 HydrophobicContact CG1-CG1 3.95Å
246S87.6Confident95.9Very high100 Ų10061.5 Ų61.570%0.69933%0.327SS*.THydrogen-bonded Turntrans52.245.8-179-56.50000113.9K248S246-K248 PolarHBondContact O-N 3.18Å; S246-K248 VanDerWaalsContact O-N 3.14Å
247N90.4Very high95.8Very high177 Ų17759.2 Ų59.295%0.94732%0.315SS*.THydrogen-bonded Turntrans59.417.4-177.7-60.3-28.2000115.5V245V245-N247 VanDerWaalsContact C-N 3.34Å; V245-N247 PolarHBondContact O-N 2.89Å
248K93.8Very high95.3Very high101 Ų10157.2 Ų57.244%0.43931%0.314SS..EExtended strand (participates in β ladder)trans-121.3135.9172.1-173.5166.4174.2179.40110S244 V245 S246 F250S244-K248 CarbonylContact C-O 3.58Å; S244-K248 VanDerWaalsContact CA-O 3.31Å; S244-K248 WeakPolarHBondContact CA-O 3.44Å; V245-K248 PolarHBondContact N-O 2.69Å; V245-K248 PolarHBondContact O-N 2.82Å; V245-K248 VanDerWaalsContact O-O 3.1Å; S246-K248 PolarHBondContact O-N 3.18Å; S246-K248 VanDerWaalsContact O-N 3.14Å; K248-F250 HydrophobicContact CB-CE2 3.8Å; K248-F250 HydrophobicContact CB-CZ 4.04Å; K248-F250 HydrophobicContact CD-CE1 3.9Å; K248-F250 HydrophobicContact CD-CE2 4.12Å; K248-F250 HydrophobicContact CD-CZ 3.46Å; K248-F250 VanDerWaalsContact CD-CZ 3.46Å; K248-F250 HydrophobicContact CG-CD2 4.4Å; K248-F250 HydrophobicContact CG-CE1 4.15Å; K248-F250 HydrophobicContact CG-CE2 3.72Å; K248-F250 HydrophobicContact CG-CZ 3.6Å
249T96.4Very high95.1Very high81 Ų8152.3 Ų52.350%0.49729%0.293SS..EExtended strand (participates in β ladder)trans-97.5135.8177.9-52.40000109.7T242 Y243 S244T242-T249 HydrophobicContact CG2-CG2 4.11Å; Y243-T249 WeakPolarHBondContact O-CA 3.48Å; S244-T249 PolarHBondContact OG-OG1 3.07Å
250F96.5Very high94.9Very high12 Ų1258 Ų585%0.05332%0.318CS..EExtended strand (participates in β ladder)trans-127.5143.9179.7-61.9-86.4000110.2T242 Y243 V245 K248 L364 A365 K368 I369T242-F250 CarbonylContact C-O 3.54Å; T242-F250 VanDerWaalsContact CA-O 3.29Å; T242-F250 WeakPolarHBondContact CA-O 3.38Å; Y243-F250 PolarHBondContact N-O 2.75Å; Y243-F250 PolarHBondContact O-N 2.88Å; V245-F250 HydrophobicContact CG1-CD2 3.93Å; V245-F250 HydrophobicContact CG1-CE2 3.7Å; K248-F250 HydrophobicContact CB-CE2 3.8Å; K248-F250 HydrophobicContact CB-CZ 4.04Å; K248-F250 HydrophobicContact CD-CE1 3.9Å; K248-F250 HydrophobicContact CD-CE2 4.12Å; K248-F250 HydrophobicContact CD-CZ 3.46Å; K248-F250 VanDerWaalsContact CD-CZ 3.46Å; K248-F250 HydrophobicContact CG-CD2 4.4Å; K248-F250 HydrophobicContact CG-CE1 4.15Å; K248-F250 HydrophobicContact CG-CE2 3.72Å; K248-F250 HydrophobicContact CG-CZ 3.6Å; F250-L364 HydrophobicContact CE1-CB 3.84Å; F250-A365 HydrophobicContact CB-CB 3.93Å; F250-A365 HydrophobicContact CD1-CB 3.76Å; F250-A365 HydrophobicContact CG-CB 4.04Å; F250-K368 HydrophobicContact CE2-CB 4.02Å; F250-K368 HydrophobicContact CE2-CG 4.3Å; F250-K368 HydrophobicContact CZ-CB 3.98Å; F250-K368 HydrophobicContact CZ-CG 3.86Å; F250-I369 HydrophobicContact CB-CD1 4.05Å; F250-I369 HydrophobicContact CD2-CD1 4.29Å; F250-I369 HydrophobicContact CG-CD1 4.38Å
251D95.6Very high94.7Very high77 Ų7758.5 Ų58.541%0.41231%0.314SS..EExtended strand (participates in β ladder)trans-68.5128.8164.3-72.8-14.2000108.8S241 R358S241-D251 WeakPolarHBondContact O-CA 3.47Å; D251-R358 IonicContact OD2-NH1 3.76Å
252V97.5Very high94.7Very high1 Ų156.6 Ų56.61%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-131.3150.1177.2-62.30000110.1G240 S241 I324 I369G240-V252 CarbonylContact C-O 3.54Å; G240-V252 WeakPolarHBondContact CA-O 3.27Å; S241-V252 PolarHBondContact N-O 2.82Å; S241-V252 PolarHBondContact O-N 3.14Å; S241-V252 VanDerWaalsContact O-O 3.12Å; S241-V252 WeakPolarHBondContact OG-CG2 3.48Å; V252-I324 HydrophobicContact CB-CD1 4.19Å; V252-I324 HydrophobicContact CB-CG2 4Å; V252-I324 HydrophobicContact CG1-CD1 4.24Å; V252-I324 HydrophobicContact CG1-CG2 4.39Å; V252-I324 HydrophobicContact CG2-CD1 3.91Å; V252-I324 HydrophobicContact CG2-CG1 4.37Å; V252-I369 HydrophobicContact CG1-CD1 3.41Å; V252-I369 VanDerWaalsContact CG1-CD1 3.41Å
253F98.6Very high94.8Very high15 Ų1552 Ų527%0.06627%0.273CS..EExtended strand (participates in β ladder)trans-114.2142-179.6-58-87.8000110.8W235 L236 R239 P325 L328 N329 M332W235-F253 HydrophobicContact CB-CD1 4.47Å; W235-F253 HydrophobicContact CB-CE1 4.41Å; L236-F253 HydrophobicContact CD2-CE1 3.91Å; L236-F253 HydrophobicContact CD2-CZ 3.74Å; R239-F253 WeakPolarHBondContact O-CA 3.3Å; F253-P325 WeakPolarHBondContact O-CD 3.27Å; F253-L328 HydrophobicContact CB-CD2 3.69Å; F253-L328 HydrophobicContact CB-CG 3.78Å; F253-N329 WeakPolarHBondContact CD2-OD1 3.29Å; F253-N329 PolarHBondContact N-OD1 3.29Å; F253-N329 PolarHBondContact O-ND2 2.94Å; F253-M332 HydrophobicContact CB-CG 4.29Å; F253-M332 HydrophobicContact CD1-CE 4.11Å; F253-M332 HydrophobicContact CD1-CG 4.02Å; F253-M332 HydrophobicContact CD2-CB 3.67Å; F253-M332 HydrophobicContact CD2-CG 3.68Å; F253-M332 HydrophobicContact CE1-CE 3.57Å; F253-M332 HydrophobicContact CE1-CG 4.26Å; F253-M332 HydrophobicContact CE2-CB 3.65Å; F253-M332 HydrophobicContact CE2-CE 4.3Å; F253-M332 HydrophobicContact CE2-CG 3.95Å; F253-M332 HydrophobicContact CG-CB 4.25Å; F253-M332 HydrophobicContact CG-CG 3.72Å; F253-M332 HydrophobicContact CZ-CB 4.2Å; F253-M332 HydrophobicContact CZ-CE 3.68Å; F253-M332 HydrophobicContact CZ-CG 4.23Å
254Q98.4Very high94.8Very high1 Ų150.3 Ų50.31%0.00527%0.266CS..  trans-136.6143.5176.1-59-175.5-99.200110.1R239 K256 W321 I323 I324R239-Q254 WeakPolarHBondContact CB-O 3.18Å; R239-Q254 VanDerWaalsContact CD-O 3.23Å; R239-Q254 WeakPolarHBondContact CD-O 3.46Å; R239-Q254 PolarHBondContact O-N 3.21Å; Q254-K256 HydrophobicContact CB-CD 4.01Å; Q254-K256 HydrophobicContact CB-CG 3.93Å; Q254-K256 PolarHBondContact O-N 2.7Å; Q254-K256 VanDerWaalsContact OE1-CE 3.27Å; Q254-W321 PolarHBondContact NE2-O 3.17Å; Q254-I323 WeakPolarHBondContact CG-O 3.28Å; Q254-I323 PolarHBondContact NE2-O 3.06Å; Q254-I324 HydrophobicContact CG-CG1 4.01Å
255Y98.5Very high94.9Very high1 Ų147.2 Ų47.20%0.00424%0.244CC..  trans-68.9112.1165.9-60.8-68.4000108.5W235 E295 T296 P325 L328W235-Y255 HydrophobicContact CH2-CD1 4.23Å; W235-Y255 AromaticContact CH2-CE1 3.92Å; W235-Y255 HydrophobicContact CH2-CE1 3.92Å; W235-Y255 HydrophobicContact CZ3-CD1 4.19Å; W235-Y255 HydrophobicContact CZ3-CE1 4.1Å; Y255-E295 WeakPolarHBondContact CA-OE2 3.47Å; Y255-E295 HydrophobicContact CD1-CB 4.26Å; Y255-E295 HydrophobicContact CD1-CG 3.81Å; Y255-T296 HydrophobicContact CD1-CG2 4.46Å; Y255-T296 HydrophobicContact CD2-CG2 3.23Å; Y255-T296 HydrophobicContact CE2-CG2 3.87Å; Y255-T296 HydrophobicContact CG-CG2 3.59Å; Y255-P325 HydrophobicContact CD2-CB 4.44Å; Y255-P325 HydrophobicContact CD2-CG 3.7Å; Y255-P325 HydrophobicContact CE2-CB 4.38Å; Y255-P325 HydrophobicContact CE2-CG 3.85Å; Y255-L328 HydrophobicContact CD1-CD2 3.96Å; Y255-L328 HydrophobicContact CD2-CD2 4.18Å; Y255-L328 HydrophobicContact CE1-CB 4.43Å; Y255-L328 HydrophobicContact CE1-CD1 3.84Å; Y255-L328 HydrophobicContact CE1-CD2 3.92Å; Y255-L328 HydrophobicContact CE1-CG 4.26Å; Y255-L328 HydrophobicContact CE2-CB 3.79Å; Y255-L328 HydrophobicContact CE2-CD2 4.15Å; Y255-L328 HydrophobicContact CE2-CG 4.42Å; Y255-L328 HydrophobicContact CG-CD2 4.1Å
256K96.7Very high95.1Very high60 Ų6046 Ų4626%0.26124%0.236SC..  trans-143.453.4-169.3-82.7-174.9167.4170.40109.7R239 Q254 E295 W321R239-K256 VanDerWaalsContact CZ-O 3.25Å; R239-K256 PolarHBondContact NH1-O 2.87Å; Q254-K256 HydrophobicContact CB-CD 4.01Å; Q254-K256 HydrophobicContact CB-CG 3.93Å; Q254-K256 PolarHBondContact O-N 2.7Å; Q254-K256 VanDerWaalsContact OE1-CE 3.27Å; K256-E295 PolarHBondContact N-OE2 2.79Å; K256-W321 WeakPolarHBondContact CE-O 3.17Å; K256-W321 HydrophobicContact CG-CB 4.42Å; K256-W321 HydrophobicContact CG-CD2 4.5Å; K256-W321 HydrophobicContact CG-CG 4Å
257A96.1Very high95.6Very high0 Ų042.1 Ų42.10%021%0.206CC..  trans-67.5135.1171.200000110.1R198 V291 S292 E295 W321R198-A257 HydrophobicContact CB-CB 3.64Å; A257-V291 HydrophobicContact CB-CG1 3.66Å; A257-S292 PolarHBondContact N-OG 2.78Å; A257-S292 PolarHBondContact O-OG 3.38Å; A257-E295 HydrophobicContact CB-CB 4.36Å; A257-E295 PolarHBondContact N-OE2 3.05Å; A257-W321 WeakPolarHBondContact O-CZ2 3.35Å; A257-W321 PolarHBondContact O-NE1 3.43Å
258E87.9Confident95.8Very high146 Ų14634.7 Ų34.768%0.68217%0.165SC*.  trans-108.1111.7-178.3-68.8178.9-173.600108.9W321E258-W321 HydrophobicContact CG-CH2 4.3Å; E258-W321 HydrophobicContact CG-CZ2 4.05Å
259M91.2Very high95.9Very high6 Ų632.3 Ų32.33%0.0316%0.155CC..  trans-144.1130.1175-167.5165.2-170.300108.2Y197 I261 P264 A288 V291Y197-M259 HydrophobicContact CD2-CE 4.02Å; Y197-M259 HydrophobicContact CD2-SD 4.22Å; Y197-M259 HydrophobicContact CE2-CE 4.27Å; Y197-M259 HydrophobicContact CG-SD 4.3Å; M259-I261 HydrophobicContact CE-CD1 3.6Å; M259-I261 HydrophobicContact CE-CG1 3.54Å; M259-I261 HydrophobicContact CG-CD1 4.5Å; M259-I261 HydrophobicContact CG-CG1 3.64Å; M259-I261 HydrophobicContact SD-CG1 4.39Å; M259-P264 HydrophobicContact CE-CG 4.06Å; M259-A288 PolarHBondContact O-N 2.73Å; M259-V291 HydrophobicContact CB-CB 4.13Å; M259-V291 HydrophobicContact CB-CG1 3.94Å; M259-V291 HydrophobicContact CB-CG2 3.84Å; M259-V291 HydrophobicContact CG-CG2 4.18Å; M259-V291 HydrophobicContact SD-CG1 4.12Å; M259-V291 HydrophobicContact SD-CG2 3.62Å
260K94Very high95.9Very high139 Ų13928.5 Ų28.560%0.60413%0.132SC*.SBendtrans-102.815.2-175-65.2-173.1171.5-154.70113.1E284 W287K260-E284 HydrophobicContact CB-CG 3.96Å; K260-E284 HydrophobicContact CG-CG 4.34Å; K260-E284 IonicContact NZ-OE2 3.41Å; K260-W287 VanDerWaalsContact C-CE3 3.48Å; K260-W287 VanDerWaalsContact O-CZ3 3.25Å; K260-W287 WeakPolarHBondContact O-CZ3 3.36Å
261I94.6Very high95.8Very high36 Ų3629.9 Ų29.919%0.18514%0.14CC..SBendtrans-139.5156.4-174.153.6173.3000107.8C14 H15 M259C14-I261 HydrophobicContact CB-CD1 4.13Å; H15-I261 HydrophobicContact CB-CD1 3.78Å; H15-I261 HydrophobicContact CB-CG2 4.03Å; M259-I261 HydrophobicContact CE-CD1 3.6Å; M259-I261 HydrophobicContact CE-CG1 3.54Å; M259-I261 HydrophobicContact CG-CD1 4.5Å; M259-I261 HydrophobicContact CG-CG1 3.64Å; M259-I261 HydrophobicContact SD-CG1 4.39Å
262P96.5Very high95.8Very high4 Ų430.8 Ų30.83%0.02614%0.142CC..  trans-53.4149.1170.8-22.732000111.5P264 Y267 D270 L271 W287P262-P264 WeakPolarHBondContact O-CD 3.25Å; P262-Y267 HydrophobicContact CB-CD2 3.64Å; P262-Y267 HydrophobicContact CB-CE2 3.96Å; P262-Y267 HydrophobicContact CB-CG 4.19Å; P262-Y267 HydrophobicContact CG-CD2 4.06Å; P262-Y267 HydrophobicContact CG-CE2 3.85Å; P262-D270 HydrophobicContact CB-CB 3.67Å; P262-L271 HydrophobicContact CG-CD2 3.64Å; P262-L271 HydrophobicContact CG-CG 3.9Å; P262-W287 HydrophobicContact CG-CD2 4.33Å; P262-W287 HydrophobicContact CG-CH2 4.42Å; P262-W287 HydrophobicContact CG-CZ2 3.74Å
263R97.4Very high95.6Very high1 Ų131.8 Ų31.80%0.00415%0.147CC..  trans-58.6124.2169.4-75.4177.5-59.1148.54.5109.6E265 S266 Y267 D270 V291 E511R263-E265 VanDerWaalsContact C-N 3.26Å; R263-E265 WeakPolarHBondContact CB-OE1 3.46Å; R263-E265 WeakPolarHBondContact CD-OE1 3.34Å; R263-E265 PolarHBondContact O-N 3.43Å; R263-S266 PolarHBondContact NH1-OG 3.23Å; R263-S266 VanDerWaalsContact NH2-CB 3.32Å; R263-S266 CarbonylContact O-C 3.58Å; R263-S266 PolarHBondContact O-N 3.43Å; R263-Y267 WeakPolarHBondContact O-CA 3.46Å; R263-Y267 PolarHBondContact O-N 3.27Å; R263-D270 WeakPolarHBondContact CB-OD2 3.14Å; R263-D270 VanDerWaalsContact CG-OD2 3.29Å; R263-D270 WeakPolarHBondContact CG-OD2 3.31Å; R263-D270 IonicContact CZ-OD1 3.22Å; R263-D270 IonicContact CZ-OD2 3.87Å; R263-D270 PolarHBondContact N-OD2 2.82Å; R263-D270 IonicContact NE-OD1 3.7Å; R263-D270 PolarHBondContact NE-OD1 2.98Å; R263-D270 IonicContact NE-OD2 3.4Å; R263-D270 PolarHBondContact NE-OD2 3.36Å; R263-D270 IonicContact NH2-OD1 2.75Å; R263-D270 PolarHBondContact NH2-OD1 3.28Å; R263-D270 IonicContact NH2-OD2 3.43Å; R263-V291 HydrophobicContact CG-CG2 3.48Å; R263-V291 VanDerWaalsContact CG-CG2 3.48Å; R263-E511 IonicContact CZ-OE1 2.71Å; R263-E511 IonicContact CZ-OE2 2.8Å; R263-E511 IonicContact NH1-OE1 3.67Å; R263-E511 PolarHBondContact NH1-OE1 3.04Å; R263-E511 IonicContact NH1-OE2 3.86Å; R263-E511 PolarHBondContact NH1-OE2 3.36Å; R263-E511 IonicContact NH2-OE1 2.92Å; R263-E511 IonicContact NH2-OE2 3.84Å; R263-E511 PolarHBondContact NH2-OE2 3.42Å
264P97Very high95.5Very high0 Ų031.1 Ų31.10%014%0.144CC..G310 helixtrans-64.4-32.1-175.5-26.437.5000114.3Y13 C14 L19 V35 Y194 M259 P262 S266Y13-P264 WeakPolarHBondContact O-CB 3.37Å; Y13-P264 WeakPolarHBondContact O-CG 3.44Å; C14-P264 HydrophobicContact CB-CG 4.12Å; L19-P264 HydrophobicContact CD2-CB 4.15Å; V35-P264 HydrophobicContact CG1-CB 3.85Å; V35-P264 WeakPolarHBondContact CG1-O 3.38Å; Y194-P264 HydrophobicContact CG-CB 4.46Å; M259-P264 HydrophobicContact CE-CG 4.06Å; P262-P264 WeakPolarHBondContact O-CD 3.25Å; P264-S266 PolarHBondContact O-N 3.21Å
265E96.7Very high95.3Very high5 Ų536.3 Ų36.32%0.02317%0.168CC..G310 helixtrans-74.7-11.4176.274.2-73.3-179.200114.4S31 K32 V35 Y194 Y195 R198 R263S31-E265 CarbonylContact C-O 3.54Å; S31-E265 VanDerWaalsContact CB-O 3.23Å; S31-E265 WeakPolarHBondContact CB-O 3.4Å; K32-E265 HydrophobicContact CB-CB 4.13Å; K32-E265 HydrophobicContact CD-CB 4.4Å; K32-E265 HydrophobicContact CG-CB 4.05Å; K32-E265 PolarHBondContact N-O 2.91Å; K32-E265 VanDerWaalsContact N-O 3.14Å; V35-E265 HydrophobicContact CG2-CB 4.08Å; Y194-E265 HydrophobicContact CD2-CB 4.4Å; Y194-E265 WeakPolarHBondContact CD2-OE2 3.42Å; Y194-E265 HydrophobicContact CE2-CB 3.96Å; Y194-E265 HydrophobicContact CE2-CG 4.4Å; Y195-E265 HydrophobicContact CE1-CG 4.2Å; R198-E265 IonicContact CZ-OE1 3.48Å; R198-E265 IonicContact NH1-OE1 3.22Å; R198-E265 IonicContact NH2-OE1 3.7Å; R198-E265 PolarHBondContact NH2-OE1 2.96Å; R263-E265 VanDerWaalsContact C-N 3.26Å; R263-E265 WeakPolarHBondContact CB-OE1 3.46Å; R263-E265 WeakPolarHBondContact CD-OE1 3.34Å; R263-E265 PolarHBondContact O-N 3.43Å
266S96.7Very high95Very high2 Ų241.9 Ų41.91%0.01420%0.198CC..G310 helixtrans-139.739.3178.2-50.20000110.2R263 P264 R268 E269 D270 E511R263-S266 PolarHBondContact NH1-OG 3.23Å; R263-S266 VanDerWaalsContact NH2-CB 3.32Å; R263-S266 CarbonylContact O-C 3.58Å; R263-S266 PolarHBondContact O-N 3.43Å; P264-S266 PolarHBondContact O-N 3.21Å; S266-R268 PolarHBondContact O-N 2.9Å; S266-E269 VanDerWaalsContact CA-OE2 3.26Å; S266-E269 WeakPolarHBondContact CA-OE2 3.27Å; S266-E269 PolarHBondContact O-N 3.28Å; S266-D270 WeakPolarHBondContact O-CB 3.26Å; S266-D270 PolarHBondContact O-N 2.89Å; S266-E511 PolarHBondContact OG-OE1 2.85Å
267Y96.8Very high94.9Very high20 Ų2041.4 Ų41.48%0.07820%0.198CC..Hα-helixtrans-65.3-40.7-164.1-175-92.1000112.6L19 D20 Q23 P262 R263 L271L19-Y267 HydrophobicContact CD2-CD2 3.6Å; L19-Y267 HydrophobicContact CD2-CE2 3.77Å; L19-Y267 HydrophobicContact CD2-CG 4.26Å; L19-Y267 HydrophobicContact CG-CD2 4.09Å; L19-Y267 HydrophobicContact CG-CE2 4.29Å; L19-Y267 HydrophobicContact CG-CG 4.29Å; D20-Y267 HydrophobicContact CB-CE1 4.44Å; D20-Y267 WeakPolarHBondContact OD1-CE1 3.26Å; D20-Y267 PolarHBondContact OD1-OH 3.16Å; Q23-Y267 HydrophobicContact CB-CD1 3.61Å; Q23-Y267 HydrophobicContact CB-CE1 4.33Å; Q23-Y267 HydrophobicContact CB-CG 4.34Å; Q23-Y267 HydrophobicContact CG-CD1 3.84Å; Q23-Y267 HydrophobicContact CG-CG 4.09Å; P262-Y267 HydrophobicContact CB-CD2 3.64Å; P262-Y267 HydrophobicContact CB-CE2 3.96Å; P262-Y267 HydrophobicContact CB-CG 4.19Å; P262-Y267 HydrophobicContact CG-CD2 4.06Å; P262-Y267 HydrophobicContact CG-CE2 3.85Å; R263-Y267 WeakPolarHBondContact O-CA 3.46Å; R263-Y267 PolarHBondContact O-N 3.27Å; Y267-L271 HydrophobicContact CD1-CD1 3.74Å; Y267-L271 HydrophobicContact CD1-CG 4.3Å; Y267-L271 HydrophobicContact CE1-CD1 3.3Å; Y267-L271 HydrophobicContact CE1-CG 4.09Å; Y267-L271 WeakPolarHBondContact O-CB 3.33Å; Y267-L271 VanDerWaalsContact O-CG 3.31Å; Y267-L271 WeakPolarHBondContact O-CG 3.4Å; Y267-L271 PolarHBondContact O-N 3.4Å; Y267-L271 VanDerWaalsContact O-N 3.1Å
268R95Very high94.7Very high20 Ų2047.9 Ų47.98%0.07524%0.238CC..Hα-helixtrans-69.4-45.9179.3-57.6-178-49.6-122.8-5.9110.7Q23 Y28 P29 S31 S266 D270 L271 E272Q23-R268 HydrophobicContact CB-CG 3.79Å; Q23-R268 WeakPolarHBondContact O-CD 3.44Å; Q23-R268 WeakPolarHBondContact O-CG 3.43Å; Y28-R268 PolarHBondContact O-NH1 2.96Å; P29-R268 PolarHBondContact O-NH2 2.87Å; S31-R268 VanDerWaalsContact OG-CZ 3.29Å; S31-R268 PolarHBondContact OG-NE 3.27Å; S31-R268 PolarHBondContact OG-NH2 3.45Å; S266-R268 PolarHBondContact O-N 2.9Å; R268-D270 VanDerWaalsContact C-N 3.28Å; R268-D270 PolarHBondContact O-N 2.92Å; R268-L271 WeakPolarHBondContact O-CB 3.47Å; R268-L271 PolarHBondContact O-N 2.86Å; R268-E272 WeakPolarHBondContact O-CG 3.09Å; R268-E272 PolarHBondContact O-N 2.83Å
269E95.2Very high95.1Very high51 Ų5143 Ų4324%0.23822%0.22CC..Hα-helixtrans-58.4-44.4-178.3-62.373.2-161.200109.9S31 S266 L273S31-E269 WeakPolarHBondContact CB-OE2 3.23Å; S31-E269 VanDerWaalsContact OG-CD 3.3Å; S31-E269 PolarHBondContact OG-OE1 3.26Å; S31-E269 VanDerWaalsContact OG-OE1 3.12Å; S31-E269 PolarHBondContact OG-OE2 2.89Å; S266-E269 VanDerWaalsContact CA-OE2 3.26Å; S266-E269 WeakPolarHBondContact CA-OE2 3.27Å; S266-E269 PolarHBondContact O-N 3.28Å; E269-L273 PolarHBondContact O-N 3.09Å; E269-L273 VanDerWaalsContact O-N 3.11Å
270D96.6Very high95.3Very high2 Ų247.9 Ų47.91%0.01125%0.245CC..Hα-helixtrans-71.9-26.2176.9-78.313.1000113.6P262 R263 S266 R268 W287P262-D270 HydrophobicContact CB-CB 3.67Å; R263-D270 WeakPolarHBondContact CB-OD2 3.14Å; R263-D270 VanDerWaalsContact CG-OD2 3.29Å; R263-D270 WeakPolarHBondContact CG-OD2 3.31Å; R263-D270 IonicContact CZ-OD1 3.22Å; R263-D270 IonicContact CZ-OD2 3.87Å; R263-D270 PolarHBondContact N-OD2 2.82Å; R263-D270 IonicContact NE-OD1 3.7Å; R263-D270 PolarHBondContact NE-OD1 2.98Å; R263-D270 IonicContact NE-OD2 3.4Å; R263-D270 PolarHBondContact NE-OD2 3.36Å; R263-D270 IonicContact NH2-OD1 2.75Å; R263-D270 PolarHBondContact NH2-OD1 3.28Å; R263-D270 IonicContact NH2-OD2 3.43Å; S266-D270 WeakPolarHBondContact O-CB 3.26Å; S266-D270 PolarHBondContact O-N 2.89Å; R268-D270 VanDerWaalsContact C-N 3.28Å; R268-D270 PolarHBondContact O-N 2.92Å; D270-W287 PolarHBondContact O-NE1 2.94Å; D270-W287 VanDerWaalsContact O-NE1 3.07Å
271L95.1Very high95.4Very high41 Ų4145.1 Ų45.122%0.21524%0.244CC..Hα-helixtrans-74.1-45172.6-80.7-177.6000111.9P262 Y267 R268 L273 V274 E275 W287P262-L271 HydrophobicContact CG-CD2 3.64Å; P262-L271 HydrophobicContact CG-CG 3.9Å; Y267-L271 HydrophobicContact CD1-CD1 3.74Å; Y267-L271 HydrophobicContact CD1-CG 4.3Å; Y267-L271 HydrophobicContact CE1-CD1 3.3Å; Y267-L271 HydrophobicContact CE1-CG 4.09Å; Y267-L271 WeakPolarHBondContact O-CB 3.33Å; Y267-L271 VanDerWaalsContact O-CG 3.31Å; Y267-L271 WeakPolarHBondContact O-CG 3.4Å; Y267-L271 PolarHBondContact O-N 3.4Å; Y267-L271 VanDerWaalsContact O-N 3.1Å; R268-L271 WeakPolarHBondContact O-CB 3.47Å; R268-L271 PolarHBondContact O-N 2.86Å; L271-L273 VanDerWaalsContact C-N 3.27Å; L271-L273 PolarHBondContact O-N 2.96Å; L271-V274 WeakPolarHBondContact O-CG2 3.33Å; L271-V274 PolarHBondContact O-N 2.67Å; L271-E275 PolarHBondContact O-N 3.01Å; L271-W287 HydrophobicContact CD2-CZ2 4.11Å
272E94.7Very high95.4Very high96 Ų9648.2 Ų48.245%0.44926%0.258SS..Hα-helixtrans-60.3-38.4177.1-72170.4-165.700110.9R268 V274 E275R268-E272 WeakPolarHBondContact O-CG 3.09Å; R268-E272 PolarHBondContact O-N 2.83Å; E272-V274 PolarHBondContact O-N 3.23Å; E272-E275 VanDerWaalsContact O-CG 3.26Å; E272-E275 WeakPolarHBondContact O-CG 3.49Å; E272-E275 PolarHBondContact O-N 3.46Å
273L94.2Very high95.4Very high22 Ų2251.8 Ų51.812%0.11527%0.27CS..Hα-helixtrans-60.4-30.9178.5-164.474.6000113.1E269 L271 V286 I290 L315 R316E269-L273 PolarHBondContact O-N 3.09Å; E269-L273 VanDerWaalsContact O-N 3.11Å; L271-L273 VanDerWaalsContact C-N 3.27Å; L271-L273 PolarHBondContact O-N 2.96Å; L273-V286 HydrophobicContact CD2-CG1 3.84Å; L273-I290 HydrophobicContact CD2-CD1 3.41Å; L273-I290 VanDerWaalsContact CD2-CD1 3.41Å; L273-I290 HydrophobicContact CD2-CG1 4.1Å; L273-L315 HydrophobicContact CD1-CB 4.27Å; L273-L315 HydrophobicContact CD1-CD2 4.2Å; L273-L315 HydrophobicContact CD1-CG 4.04Å; L273-L315 HydrophobicContact CD2-CD2 4.33Å; L273-L315 HydrophobicContact CD2-CG 3.97Å; L273-R316 HydrophobicContact CD1-CB 4.45Å; L273-R316 HydrophobicContact CD1-CG 3.56Å; L273-R316 HydrophobicContact CG-CG 4.29Å; L273-R316 PolarHBondContact O-NH1 3.15Å
274V95.5Very high95.3Very high1 Ų154.1 Ų54.11%0.00628%0.281CS..THydrogen-bonded Turntrans-107.67.3-175.6-56.30000114.1L271 E272 N276 L277 R283 V286 W287L271-V274 WeakPolarHBondContact O-CG2 3.33Å; L271-V274 PolarHBondContact O-N 2.67Å; E272-V274 PolarHBondContact O-N 3.23Å; V274-N276 PolarHBondContact O-N 3.16Å; V274-L277 HydrophobicContact CB-CD1 4.12Å; V274-L277 HydrophobicContact CG1-CD1 4.2Å; V274-L277 WeakPolarHBondContact O-CB 3.2Å; V274-L277 PolarHBondContact O-N 3.23Å; V274-R283 HydrophobicContact CB-CB 4.29Å; V274-R283 HydrophobicContact CB-CG 3.96Å; V274-R283 HydrophobicContact CG2-CB 4.27Å; V274-R283 HydrophobicContact CG2-CG 4.04Å; V274-R283 PolarHBondContact O-NE 2.86Å; V274-V286 HydrophobicContact CG1-CB 3.8Å; V274-V286 HydrophobicContact CG1-CG1 3.54Å; V274-V286 HydrophobicContact CG1-CG2 4.49Å; V274-W287 HydrophobicContact CG2-CZ2 3.65Å
275E94.4Very high95.3Very high109 Ų10959.9 Ų59.951%0.50931%0.306SS..THydrogen-bonded Turntrans-55.3-38.1-174.372.5-171.2164.400112.9L271 E272 L277 R316L271-E275 PolarHBondContact O-N 3.01Å; E272-E275 VanDerWaalsContact O-CG 3.26Å; E272-E275 WeakPolarHBondContact O-CG 3.49Å; E272-E275 PolarHBondContact O-N 3.46Å; E275-L277 VanDerWaalsContact C-N 3.32Å; E275-L277 PolarHBondContact O-N 3.13Å; E275-R316 IonicContact OE1-NH2 3.07Å
276N93.1Very high95.2Very high118 Ų11860.8 Ų60.863%0.63131%0.312SS*.THydrogen-bonded Turntrans-81.7-9.6-177.1-66.2-38.8000113.4V274V274-N276 PolarHBondContact O-N 3.16Å
277L94.2Very high95.3Very high50 Ų5061.5 Ų61.526%0.26232%0.315SS..  trans-85.2130.8177-57.9-179.9000109.3V274 E275 E282 R283 V286V274-L277 HydrophobicContact CB-CD1 4.12Å; V274-L277 HydrophobicContact CG1-CD1 4.2Å; V274-L277 WeakPolarHBondContact O-CB 3.2Å; V274-L277 PolarHBondContact O-N 3.23Å; E275-L277 VanDerWaalsContact C-N 3.32Å; E275-L277 PolarHBondContact O-N 3.13Å; L277-E282 HydrophobicContact CD1-CB 4.24Å; L277-R283 HydrophobicContact CB-CG 3.93Å; L277-R283 PolarHBondContact O-NE 3.18Å; L277-R283 PolarHBondContact O-NH2 3.44Å; L277-V286 HydrophobicContact CD1-CG2 3.86Å
278T92.7Very high95.3Very high136 Ų13660.8 Ų60.883%0.83431%0.313SS*.  trans-94.7-27.1-179.755.10000112.8
279S96.1Very high95.4Very high45 Ų4560.1 Ų60.132%0.31531%0.311SS..  trans-83.3125.4179.8176.30000111.7S281 E282 R283S279-S281 PolarHBondContact O-N 3.29Å; S279-S281 PolarHBondContact OG-N 3.13Å; S279-E282 VanDerWaalsContact CB-OE2 3.28Å; S279-E282 WeakPolarHBondContact CB-OE2 3.4Å; S279-E282 PolarHBondContact O-N 3.21Å; S279-E282 VanDerWaalsContact O-N 3.1Å; S279-R283 WeakPolarHBondContact O-CG 3.32Å; S279-R283 PolarHBondContact O-N 3.16Å; S279-R283 VanDerWaalsContact O-N 3.1Å
280L94.8Very high95.5Very high107 Ų10757.7 Ų57.756%0.5630%0.3SS*.Hα-helixtrans-56.4-39.3172.1179.361.6000111.6E282 R283 E284 W287L280-E282 VanDerWaalsContact C-N 3.28Å; L280-E282 PolarHBondContact O-N 3.43Å; L280-R283 PolarHBondContact O-N 3.46Å; L280-E284 HydrophobicContact CD1-CG 4.22Å; L280-E284 HydrophobicContact CG-CG 4.27Å; L280-E284 WeakPolarHBondContact O-CB 3.5Å; L280-E284 WeakPolarHBondContact O-CG 3.26Å; L280-E284 PolarHBondContact O-N 2.97Å; L280-W287 HydrophobicContact CD1-CZ3 4.4Å
281S95.6Very high95.6Very high82 Ų8257.6 Ų57.657%0.57330%0.299SS*.Hα-helixtrans-64.5-32.6179.1-178.40000112.7S279 K285S279-S281 PolarHBondContact O-N 3.29Å; S279-S281 PolarHBondContact OG-N 3.13Å; S281-K285 WeakPolarHBondContact O-CB 3.42Å; S281-K285 PolarHBondContact O-N 2.87Å; S281-K285 VanDerWaalsContact O-N 3.13Å
282E95.3Very high95.7Very high101 Ų10155.7 Ų55.747%0.47229%0.289SS..Hα-helixtrans-73.2-40.9175.9-6718013300110.7L277 S279 L280 K285 V286L277-E282 HydrophobicContact CD1-CB 4.24Å; S279-E282 VanDerWaalsContact CB-OE2 3.28Å; S279-E282 WeakPolarHBondContact CB-OE2 3.4Å; S279-E282 PolarHBondContact O-N 3.21Å; S279-E282 VanDerWaalsContact O-N 3.1Å; L280-E282 VanDerWaalsContact C-N 3.28Å; L280-E282 PolarHBondContact O-N 3.43Å; E282-K285 PolarHBondContact O-N 3.33Å; E282-V286 WeakPolarHBondContact O-CG2 3.28Å; E282-V286 PolarHBondContact O-N 3.42Å
283R96.2Very high95.9Very high78 Ų7851.1 Ų51.129%0.29427%0.268SS..Hα-helixtrans-60.3-48.6173.7-59.9-171.9176.5-173.2-5.2111.7V274 L277 S279 L280 K285 V286 W287V274-R283 HydrophobicContact CB-CB 4.29Å; V274-R283 HydrophobicContact CB-CG 3.96Å; V274-R283 HydrophobicContact CG2-CB 4.27Å; V274-R283 HydrophobicContact CG2-CG 4.04Å; V274-R283 PolarHBondContact O-NE 2.86Å; L277-R283 HydrophobicContact CB-CG 3.93Å; L277-R283 PolarHBondContact O-NE 3.18Å; L277-R283 PolarHBondContact O-NH2 3.44Å; S279-R283 WeakPolarHBondContact O-CG 3.32Å; S279-R283 PolarHBondContact O-N 3.16Å; S279-R283 VanDerWaalsContact O-N 3.1Å; L280-R283 PolarHBondContact O-N 3.46Å; R283-K285 VanDerWaalsContact C-N 3.27Å; R283-K285 PolarHBondContact O-N 2.81Å; R283-V286 PolarHBondContact O-N 3.48Å; R283-V286 VanDerWaalsContact O-N 3.12Å; R283-W287 HydrophobicContact CB-CE3 4.34Å; R283-W287 HydrophobicContact CB-CH2 3.87Å; R283-W287 HydrophobicContact CB-CZ2 4.03Å; R283-W287 HydrophobicContact CB-CZ3 4.03Å; R283-W287 PolarHBondContact O-N 3.26Å
284E96.2Very high96.1Very high50 Ų5050 Ų5023%0.23426%0.262CS..Hα-helixtrans-57.1-41176.1-74.1-174175.100111.9K260 L280 W287 A288K260-E284 HydrophobicContact CB-CG 3.96Å; K260-E284 HydrophobicContact CG-CG 4.34Å; K260-E284 IonicContact NZ-OE2 3.41Å; L280-E284 HydrophobicContact CD1-CG 4.22Å; L280-E284 HydrophobicContact CG-CG 4.27Å; L280-E284 WeakPolarHBondContact O-CB 3.5Å; L280-E284 WeakPolarHBondContact O-CG 3.26Å; L280-E284 PolarHBondContact O-N 2.97Å; E284-W287 HydrophobicContact CG-CE3 4.37Å; E284-W287 HydrophobicContact CG-CZ3 4.35Å; E284-A288 WeakPolarHBondContact O-CB 3.38Å; E284-A288 PolarHBondContact O-N 3.46Å
285K95.7Very high96.2Very high121 Ų12150 Ų5053%0.52626%0.262SS..Hα-helixtrans-62.7-46.6176.1-173-179.3179.2-174.40111S281 E282 R283 A288 Q289S281-K285 WeakPolarHBondContact O-CB 3.42Å; S281-K285 PolarHBondContact O-N 2.87Å; S281-K285 VanDerWaalsContact O-N 3.13Å; E282-K285 PolarHBondContact O-N 3.33Å; R283-K285 VanDerWaalsContact C-N 3.27Å; R283-K285 PolarHBondContact O-N 2.81Å; K285-A288 PolarHBondContact O-N 2.97Å; K285-Q289 WeakPolarHBondContact O-CG 3.36Å; K285-Q289 PolarHBondContact O-N 2.92Å; K285-Q289 VanDerWaalsContact O-N 3.09Å
286V96.1Very high96.4Very high24 Ų2444.8 Ų44.815%0.14524%0.238CC..Hα-helixtrans-62.2-46.8178.9171.20000111L273 V274 L277 E282 R283 A288 Q289 I290L273-V286 HydrophobicContact CD2-CG1 3.84Å; V274-V286 HydrophobicContact CG1-CB 3.8Å; V274-V286 HydrophobicContact CG1-CG1 3.54Å; V274-V286 HydrophobicContact CG1-CG2 4.49Å; L277-V286 HydrophobicContact CD1-CG2 3.86Å; E282-V286 WeakPolarHBondContact O-CG2 3.28Å; E282-V286 PolarHBondContact O-N 3.42Å; R283-V286 PolarHBondContact O-N 3.48Å; R283-V286 VanDerWaalsContact O-N 3.12Å; V286-A288 VanDerWaalsContact C-N 3.31Å; V286-A288 PolarHBondContact O-N 3.46Å; V286-Q289 WeakPolarHBondContact O-CB 3.42Å; V286-Q289 PolarHBondContact O-N 3.34Å; V286-Q289 VanDerWaalsContact O-N 3.1Å; V286-I290 HydrophobicContact CG1-CD1 3.89Å; V286-I290 HydrophobicContact CG1-CG1 4.33Å; V286-I290 WeakPolarHBondContact O-CG1 3.35Å; V286-I290 PolarHBondContact O-N 3.49Å
287W96.9Very high96.7Very high17 Ų1739.3 Ų39.36%0.06421%0.209CC..Hα-helixtrans-59.5-39.9177-62.6-37.6000112.9K260 P262 D270 L271 V274 L280 R283 E284 Q289 I290 V291K260-W287 VanDerWaalsContact C-CE3 3.48Å; K260-W287 VanDerWaalsContact O-CZ3 3.25Å; K260-W287 WeakPolarHBondContact O-CZ3 3.36Å; P262-W287 HydrophobicContact CG-CD2 4.33Å; P262-W287 HydrophobicContact CG-CH2 4.42Å; P262-W287 HydrophobicContact CG-CZ2 3.74Å; D270-W287 PolarHBondContact O-NE1 2.94Å; D270-W287 VanDerWaalsContact O-NE1 3.07Å; L271-W287 HydrophobicContact CD2-CZ2 4.11Å; V274-W287 HydrophobicContact CG2-CZ2 3.65Å; L280-W287 HydrophobicContact CD1-CZ3 4.4Å; R283-W287 HydrophobicContact CB-CE3 4.34Å; R283-W287 HydrophobicContact CB-CH2 3.87Å; R283-W287 HydrophobicContact CB-CZ2 4.03Å; R283-W287 HydrophobicContact CB-CZ3 4.03Å; R283-W287 PolarHBondContact O-N 3.26Å; E284-W287 HydrophobicContact CG-CE3 4.37Å; E284-W287 HydrophobicContact CG-CZ3 4.35Å; W287-Q289 VanDerWaalsContact C-N 3.33Å; W287-Q289 PolarHBondContact O-N 3.46Å; W287-I290 PolarHBondContact O-N 3.34Å; W287-V291 WeakPolarHBondContact O-CB 3.45Å; W287-V291 VanDerWaalsContact O-CG2 3.32Å; W287-V291 WeakPolarHBondContact O-CG2 3.33Å; W287-V291 PolarHBondContact O-N 3.35Å
288A97.2Very high96.9Very high6 Ų636.9 Ų36.95%0.0520%0.196CC..Hα-helixtrans-64.7-37.1176.300000112.7M259 E284 K285 V286 S292 W321M259-A288 PolarHBondContact O-N 2.73Å; E284-A288 WeakPolarHBondContact O-CB 3.38Å; E284-A288 PolarHBondContact O-N 3.46Å; K285-A288 PolarHBondContact O-N 2.97Å; V286-A288 VanDerWaalsContact C-N 3.31Å; V286-A288 PolarHBondContact O-N 3.46Å; A288-S292 WeakPolarHBondContact O-CB 3.46Å; A288-S292 PolarHBondContact O-N 2.94Å; A288-S292 PolarHBondContact O-OG 3.31Å; A288-W321 HydrophobicContact CB-CH2 3.86Å; A288-W321 HydrophobicContact CB-CZ2 3.51Å
289Q97.8Very high97Very high6 Ų631.8 Ų31.83%0.02816%0.164CC..Hα-helixtrans-66.8-42.1175.7-64-74.922.300111.9K285 V286 W287 S292 G293 I318 R319 T320K285-Q289 WeakPolarHBondContact O-CG 3.36Å; K285-Q289 PolarHBondContact O-N 2.92Å; K285-Q289 VanDerWaalsContact O-N 3.09Å; V286-Q289 WeakPolarHBondContact O-CB 3.42Å; V286-Q289 PolarHBondContact O-N 3.34Å; V286-Q289 VanDerWaalsContact O-N 3.1Å; W287-Q289 VanDerWaalsContact C-N 3.33Å; W287-Q289 PolarHBondContact O-N 3.46Å; Q289-S292 PolarHBondContact O-N 2.92Å; Q289-G293 PolarHBondContact O-N 3.41Å; Q289-I318 HydrophobicContact CB-CG1 4.39Å; Q289-I318 HydrophobicContact CB-CG2 3.91Å; Q289-R319 VanDerWaalsContact OE1-C 3.27Å; Q289-T320 PolarHBondContact O-OG1 2.91Å
290I97.5Very high97.1Very high0 Ų029.8 Ų29.80%015%0.149CC..Hα-helixtrans-62.9-50.8176.1-66.3170.8000111.2L273 V286 W287 S292 G293 A294 F300 I318L273-I290 HydrophobicContact CD2-CD1 3.41Å; L273-I290 VanDerWaalsContact CD2-CD1 3.41Å; L273-I290 HydrophobicContact CD2-CG1 4.1Å; V286-I290 HydrophobicContact CG1-CD1 3.89Å; V286-I290 HydrophobicContact CG1-CG1 4.33Å; V286-I290 WeakPolarHBondContact O-CG1 3.35Å; V286-I290 PolarHBondContact O-N 3.49Å; W287-I290 PolarHBondContact O-N 3.34Å; I290-S292 PolarHBondContact O-N 3.23Å; I290-G293 CarbonylContact O-C 3.5Å; I290-G293 VanDerWaalsContact O-CA 3.25Å; I290-G293 WeakPolarHBondContact O-CA 3.4Å; I290-G293 PolarHBondContact O-N 2.93Å; I290-A294 PolarHBondContact O-N 3.33Å; I290-F300 HydrophobicContact CG2-CE1 3.83Å; I290-F300 HydrophobicContact CG2-CZ 3.57Å; I290-I318 HydrophobicContact CG1-CG2 4.05Å
291V97.6Very high97.3Very high0 Ų024.7 Ų24.70%012%0.122CC..Hα-helixtrans-62.2-34179.6170.90000110.8R198 A257 M259 R263 W287 A294 E295R198-V291 HydrophobicContact CB-CG1 4.25Å; R198-V291 VanDerWaalsContact CD-O 3.26Å; R198-V291 WeakPolarHBondContact CD-O 3.42Å; R198-V291 HydrophobicContact CG-CG1 4.32Å; A257-V291 HydrophobicContact CB-CG1 3.66Å; M259-V291 HydrophobicContact CB-CB 4.13Å; M259-V291 HydrophobicContact CB-CG1 3.94Å; M259-V291 HydrophobicContact CB-CG2 3.84Å; M259-V291 HydrophobicContact CG-CG2 4.18Å; M259-V291 HydrophobicContact SD-CG1 4.12Å; M259-V291 HydrophobicContact SD-CG2 3.62Å; R263-V291 HydrophobicContact CG-CG2 3.48Å; R263-V291 VanDerWaalsContact CG-CG2 3.48Å; W287-V291 WeakPolarHBondContact O-CB 3.45Å; W287-V291 VanDerWaalsContact O-CG2 3.32Å; W287-V291 WeakPolarHBondContact O-CG2 3.33Å; W287-V291 PolarHBondContact O-N 3.35Å; V291-A294 PolarHBondContact O-N 2.96Å; V291-E295 PolarHBondContact O-N 3.45Å
292S98.4Very high97.4Very high0 Ų020.8 Ų20.80%010%0.095CC..Hα-helixtrans-69.7-35.8171.1-59.10000112.2A257 A288 Q289 I290 A294 E295 T296 W321A257-S292 PolarHBondContact N-OG 2.78Å; A257-S292 PolarHBondContact O-OG 3.38Å; A288-S292 WeakPolarHBondContact O-CB 3.46Å; A288-S292 PolarHBondContact O-N 2.94Å; A288-S292 PolarHBondContact O-OG 3.31Å; Q289-S292 PolarHBondContact O-N 2.92Å; I290-S292 PolarHBondContact O-N 3.23Å; S292-A294 VanDerWaalsContact C-N 3.34Å; S292-A294 PolarHBondContact O-N 2.81Å; S292-E295 WeakPolarHBondContact O-CB 3.33Å; S292-E295 PolarHBondContact O-N 3.32Å; S292-E295 VanDerWaalsContact O-N 3.13Å; S292-T296 WeakPolarHBondContact O-CG2 3.45Å; S292-T296 PolarHBondContact O-N 3.35Å; S292-W321 VanDerWaalsContact OG-CD1 3.32Å; S292-W321 PolarHBondContact OG-NE1 3.13Å
293G98Very high97.6Very high0 Ų016 Ų160%07%0.073CC..Hα-helixtrans-54.9-47.8169.400000111.7Q289 I290 E295 T296Q289-G293 PolarHBondContact O-N 3.41Å; I290-G293 CarbonylContact O-C 3.5Å; I290-G293 VanDerWaalsContact O-CA 3.25Å; I290-G293 WeakPolarHBondContact O-CA 3.4Å; I290-G293 PolarHBondContact O-N 2.93Å; G293-E295 VanDerWaalsContact C-N 3.33Å; G293-E295 PolarHBondContact O-N 2.73Å; G293-T296 WeakPolarHBondContact O-CB 3.32Å; G293-T296 WeakPolarHBondContact O-CG2 3.32Å; G293-T296 PolarHBondContact O-N 3.39Å; G293-T296 VanDerWaalsContact O-N 3.12Å; G293-T296 PolarHBondContact O-OG1 3.43Å
294A98.1Very high97.7Very high0 Ų012.3 Ų12.30%06%0.059CC..Hα-helixtrans-67.5-29.3174.400000113.6N189 I290 V291 S292 T296 G297 D299N189-A294 PolarHBondContact ND2-O 3.2Å; N189-A294 VanDerWaalsContact ND2-O 3.11Å; I290-A294 PolarHBondContact O-N 3.33Å; V291-A294 PolarHBondContact O-N 2.96Å; S292-A294 VanDerWaalsContact C-N 3.34Å; S292-A294 PolarHBondContact O-N 2.81Å; A294-T296 PolarHBondContact O-N 3.38Å; A294-G297 PolarHBondContact O-N 3.4Å; A294-D299 HydrophobicContact CB-CB 4.17Å
295E98.6Very high97.7Very high0 Ų010 Ų100%05%0.048CC..Hα-helixtrans-65-26.1171.9-166.8173.5-120.100112.3R198 S199 Q200 R239 Y255 K256 A257 V291 S292 G293 G297R198-E295 WeakPolarHBondContact CA-OE1 3.33Å; R198-E295 HydrophobicContact CB-CB 4.02Å; R198-E295 HydrophobicContact CB-CG 4.06Å; S199-E295 PolarHBondContact N-OE1 3.02Å; S199-E295 WeakPolarHBondContact O-CG 3.33Å; Q200-E295 WeakPolarHBondContact CA-O 3.47Å; R239-E295 WeakPolarHBondContact CD-OE2 3.17Å; R239-E295 IonicContact CZ-OE1 2.7Å; R239-E295 VanDerWaalsContact CZ-OE1 3.31Å; R239-E295 IonicContact CZ-OE2 3.81Å; R239-E295 VanDerWaalsContact NE-CD 3.29Å; R239-E295 IonicContact NE-OE1 2.63Å; R239-E295 PolarHBondContact NE-OE1 3.31Å; R239-E295 VanDerWaalsContact NE-OE1 3.07Å; R239-E295 IonicContact NE-OE2 3.32Å; R239-E295 PolarHBondContact NE-OE2 2.82Å; R239-E295 IonicContact NH2-OE1 3.57Å; R239-E295 PolarHBondContact NH2-OE1 3.41Å; R239-E295 IonicContact NH2-OE2 2.85Å; Y255-E295 WeakPolarHBondContact CA-OE2 3.47Å; Y255-E295 HydrophobicContact CD1-CB 4.26Å; Y255-E295 HydrophobicContact CD1-CG 3.81Å; K256-E295 PolarHBondContact N-OE2 2.79Å; A257-E295 HydrophobicContact CB-CB 4.36Å; A257-E295 PolarHBondContact N-OE2 3.05Å; V291-E295 PolarHBondContact O-N 3.45Å; S292-E295 WeakPolarHBondContact O-CB 3.33Å; S292-E295 PolarHBondContact O-N 3.32Å; S292-E295 VanDerWaalsContact O-N 3.13Å; G293-E295 VanDerWaalsContact C-N 3.33Å; G293-E295 PolarHBondContact O-N 2.73Å; E295-G297 PolarHBondContact O-N 3.32Å
296T98.7Very high97.8Very high0 Ų05.6 Ų5.60%03%0.033CC..THydrogen-bonded Turntrans-72.9-18.2178.778.70000112.9P201 Y255 S292 G293 A294 W298 W304 T320P201-T296 WeakPolarHBondContact CG-O 3.47Å; Y255-T296 HydrophobicContact CD1-CG2 4.46Å; Y255-T296 HydrophobicContact CD2-CG2 3.23Å; Y255-T296 HydrophobicContact CE2-CG2 3.87Å; Y255-T296 HydrophobicContact CG-CG2 3.59Å; S292-T296 WeakPolarHBondContact O-CG2 3.45Å; S292-T296 PolarHBondContact O-N 3.35Å; G293-T296 WeakPolarHBondContact O-CB 3.32Å; G293-T296 WeakPolarHBondContact O-CG2 3.32Å; G293-T296 PolarHBondContact O-N 3.39Å; G293-T296 VanDerWaalsContact O-N 3.12Å; G293-T296 PolarHBondContact O-OG1 3.43Å; A294-T296 PolarHBondContact O-N 3.38Å; T296-W298 PolarHBondContact O-N 2.9Å; T296-W298 WeakPolarHBondContact OG1-CA 3.32Å; T296-W298 WeakPolarHBondContact OG1-CB 3.1Å; T296-W298 PolarHBondContact OG1-N 3.3Å; T296-W304 HydrophobicContact CG2-CD2 4.36Å; T296-W304 HydrophobicContact CG2-CH2 3.99Å; T296-W304 HydrophobicContact CG2-CZ2 3.49Å; T296-W304 VanDerWaalsContact CG2-CZ2 3.49Å; T296-W304 PolarHBondContact OG1-NE1 3.3Å; T296-T320 HydrophobicContact CG2-CG2 3.81Å
297G98.2Very high97.8Very high2 Ų26.8 Ų6.82%0.0214%0.036CC..THydrogen-bonded Turntrans76.7-4.5-165.900000114.1W152 A294 E295 W441W152-G297 VanDerWaalsContact CZ2-CA 3.49Å; W152-G297 WeakPolarHBondContact CZ2-O 3.26Å; A294-G297 PolarHBondContact O-N 3.4Å; E295-G297 PolarHBondContact O-N 3.32Å; G297-W441 WeakPolarHBondContact O-CZ2 3.16Å; G297-W441 PolarHBondContact O-NE1 3.03Å; G297-W441 VanDerWaalsContact O-NE1 3.1Å
298W98.3Very high97.6Very high0 Ų09.5 Ų9.50%06%0.058CC..  trans-108.156.1179.7-7151000111.7W152 T296 F300 W304 Y393 I394 T432 W441 M450W152-W298 AromaticContact CH2-CD1 3.67Å; W152-W298 AromaticContact CH2-NE1 3.78Å; T296-W298 PolarHBondContact O-N 2.9Å; T296-W298 WeakPolarHBondContact OG1-CA 3.32Å; T296-W298 WeakPolarHBondContact OG1-CB 3.1Å; T296-W298 PolarHBondContact OG1-N 3.3Å; W298-F300 CarbonylContact O-C 3.52Å; W298-F300 WeakPolarHBondContact O-CA 3.25Å; W298-W304 HydrophobicContact CB-CZ2 4.41Å; W298-W304 PolarHBondContact O-NE1 3.24Å; W298-Y393 HydrophobicContact CZ3-CD1 4.19Å; W298-I394 HydrophobicContact CH2-CG2 3.62Å; W298-I394 HydrophobicContact CZ2-CG2 4.02Å; W298-T432 HydrophobicContact CE3-CG2 3.94Å; W298-T432 HydrophobicContact CH2-CG2 3.39Å; W298-T432 HydrophobicContact CZ2-CG2 4.23Å; W298-T432 HydrophobicContact CZ3-CG2 3.2Å; W298-W441 VanDerWaalsContact CA-CD1 3.45Å; W298-W441 HydrophobicContact CB-CB 4.14Å; W298-W441 HydrophobicContact CB-CD2 4.04Å; W298-W441 HydrophobicContact CB-CE3 4.42Å; W298-W441 HydrophobicContact CB-CG 3.91Å; W298-W441 AromaticContact CD1-CE3 3.84Å; W298-W441 AromaticContact CD1-CZ3 3.89Å; W298-W441 HydrophobicContact CD2-CB 4.16Å; W298-W441 AromaticContact CD2-CD2 3.84Å; W298-W441 HydrophobicContact CD2-CD2 3.84Å; W298-W441 AromaticContact CD2-CE3 3.32Å; W298-W441 HydrophobicContact CD2-CE3 3.32Å; W298-W441 HydrophobicContact CD2-CG 4.21Å; W298-W441 AromaticContact CD2-CZ3 3.96Å; W298-W441 HydrophobicContact CD2-CZ3 3.96Å; W298-W441 AromaticContact CE2-CE3 3.4Å; W298-W441 VanDerWaalsContact CE2-CE3 3.4Å; W298-W441 AromaticContact CE2-CZ3 3.56Å; W298-W441 HydrophobicContact CE3-CB 3.78Å; W298-W441 HydrophobicContact CE3-CD2 4.28Å; W298-W441 AromaticContact CE3-CE3 3.81Å; W298-W441 HydrophobicContact CE3-CE3 3.81Å; W298-W441 HydrophobicContact CE3-CG 4.31Å; W298-W441 HydrophobicContact CG-CB 4.36Å; W298-W441 AromaticContact CG-CD2 3.73Å; W298-W441 HydrophobicContact CG-CD2 3.73Å; W298-W441 AromaticContact CG-CE3 3.62Å; W298-W441 HydrophobicContact CG-CE3 3.62Å; W298-W441 HydrophobicContact CG-CG 4.06Å; W298-W441 HydrophobicContact CG-CZ3 4.15Å; W298-W441 HydrophobicContact CH2-CE3 4.39Å; W298-W441 AromaticContact CZ2-CE3 3.95Å; W298-W441 HydrophobicContact CZ2-CE3 3.95Å; W298-W441 HydrophobicContact CZ2-CZ3 4.04Å; W298-W441 HydrophobicContact CZ3-CE3 4.32Å; W298-W441 AromaticContact NE1-CE3 3.69Å; W298-W441 AromaticContact NE1-CZ3 3.49Å; W298-M450 HydrophobicContact CZ2-CE 3.88Å; W298-M450 HydrophobicContact CZ2-CG 3.77Å; W298-M450 HydrophobicContact CZ2-SD 3.73Å
299D96.6Very high97.4Very high29 Ų2911.8 Ų11.816%0.1558%0.082CC..SBendtrans-92.6100.9177.147-43.1000112.2A294 Q440A294-D299 HydrophobicContact CB-CB 4.17Å; D299-Q440 WeakPolarHBondContact O-CG 3.45Å; D299-Q440 PolarHBondContact O-NE2 3.12Å
300F97.7Very high97.2Very high2 Ų218 Ų181%0.00912%0.123CC..SBendcis-117.9170.5-8.6-53.9-75.2000112.6I290 W298 F305 L315 I318 Q439 W441I290-F300 HydrophobicContact CG2-CE1 3.83Å; I290-F300 HydrophobicContact CG2-CZ 3.57Å; W298-F300 CarbonylContact O-C 3.52Å; W298-F300 WeakPolarHBondContact O-CA 3.25Å; F300-F305 HydrophobicContact CB-CE1 4.13Å; F300-F305 HydrophobicContact CB-CZ 3.74Å; F300-L315 HydrophobicContact CB-CD1 3.97Å; F300-L315 HydrophobicContact CD1-CD1 3.77Å; F300-L315 HydrophobicContact CD2-CD1 3.75Å; F300-L315 HydrophobicContact CD2-CD2 3.81Å; F300-L315 HydrophobicContact CD2-CG 4.45Å; F300-L315 HydrophobicContact CE1-CD1 4.24Å; F300-L315 HydrophobicContact CE2-CD1 4.21Å; F300-L315 HydrophobicContact CE2-CD2 3.99Å; F300-L315 HydrophobicContact CG-CD1 3.52Å; F300-L315 HydrophobicContact CG-CD2 4.44Å; F300-L315 HydrophobicContact CZ-CD1 4.44Å; F300-I318 HydrophobicContact CD1-CD1 3.91Å; F300-I318 HydrophobicContact CE1-CD1 4.19Å; F300-Q439 HydrophobicContact CB-CB 4.46Å; F300-Q439 HydrophobicContact CB-CG 4.27Å; F300-Q439 VanDerWaalsContact O-CB 3.23Å; F300-Q439 WeakPolarHBondContact O-CB 3.31Å; F300-W441 WeakPolarHBondContact O-CB 3.43Å; F300-W441 PolarHBondContact O-N 2.84Å
301S98.5Very high96.9Very high0 Ų022.3 Ų22.30%014%0.143CC..  trans-148.9144.1-176.8-175.10000109.7R303 W304 F305 W441S301-R303 PolarHBondContact O-N 2.93Å; S301-R303 VanDerWaalsContact OG-CB 3.32Å; S301-R303 WeakPolarHBondContact OG-CB 3.36Å; S301-R303 PolarHBondContact OG-N 3.31Å; S301-W304 PolarHBondContact O-N 3.47Å; S301-F305 WeakPolarHBondContact O-CD1 3.46Å; S301-F305 WeakPolarHBondContact O-CE1 3.32Å; S301-F305 WeakPolarHBondContact O-CZ 3.41Å; S301-W441 WeakPolarHBondContact CB-O 3.46Å; S301-W441 PolarHBondContact OG-O 2.72Å
302S98.1Very high96.8Very high0 Ų023.9 Ų23.90%016%0.156CC..G310 helixtrans-51.1-21.1165.566.80000113.6W304 F305 H307 Y393 I435 D442S302-W304 PolarHBondContact O-N 3.25Å; S302-F305 VanDerWaalsContact CA-CD2 3.48Å; S302-F305 PolarHBondContact O-N 2.73Å; S302-F305 VanDerWaalsContact O-N 3.14Å; S302-H307 PolarHBondContact O-NE2 3.35Å; S302-Y393 PolarHBondContact O-OH 3.25Å; S302-Y393 WeakPolarHBondContact OG-CE1 3.44Å; S302-Y393 PolarHBondContact OG-OH 2.63Å; S302-I435 WeakPolarHBondContact OG-CD1 3.42Å; S302-D442 WeakPolarHBondContact CB-OD1 3.41Å; S302-D442 VanDerWaalsContact CB-OD2 3.23Å; S302-D442 WeakPolarHBondContact CB-OD2 3.47Å; S302-D442 PolarHBondContact N-OD2 2.97Å; S302-D442 VanDerWaalsContact OG-CG 3.29Å; S302-D442 PolarHBondContact OG-OD1 2.96Å; S302-D442 PolarHBondContact OG-OD2 3.27Å
303R98.3Very high96.7Very high1 Ų128.2 Ų28.20%0.00417%0.173CC..G310 helixtrans-54.1-33.3174.4-171.3177.2176.5-151.1-11.1113.1S301 D327 D380 Y393 S395S301-R303 PolarHBondContact O-N 2.93Å; S301-R303 VanDerWaalsContact OG-CB 3.32Å; S301-R303 WeakPolarHBondContact OG-CB 3.36Å; S301-R303 PolarHBondContact OG-N 3.31Å; R303-D327 IonicContact CZ-OD1 3.28Å; R303-D327 IonicContact CZ-OD2 3.47Å; R303-D327 IonicContact NH1-OD1 3.98Å; R303-D327 IonicContact NH1-OD2 2.7Å; R303-D327 PolarHBondContact NH1-OD2 3Å; R303-D327 IonicContact NH2-OD1 3.07Å; R303-D327 PolarHBondContact NH2-OD1 3.03Å; R303-D327 IonicContact NH2-OD2 2.77Å; R303-D327 PolarHBondContact NH2-OD2 3.19Å; R303-D380 WeakPolarHBondContact CG-OD2 3.45Å; R303-D380 IonicContact CZ-OD1 3.29Å; R303-D380 IonicContact CZ-OD2 3.22Å; R303-D380 IonicContact NE-OD1 3.31Å; R303-D380 IonicContact NE-OD2 3.69Å; R303-D380 PolarHBondContact NE-OD2 3.14Å; R303-D380 IonicContact NH2-OD1 2.99Å; R303-D380 PolarHBondContact NH2-OD1 2.92Å; R303-D380 IonicContact NH2-OD2 3.52Å; R303-D380 PolarHBondContact NH2-OD2 3.28Å; R303-Y393 VanDerWaalsContact CA-OH 3.31Å; R303-Y393 WeakPolarHBondContact CA-OH 3.48Å; R303-Y393 HydrophobicContact CB-CD1 3.88Å; R303-Y393 HydrophobicContact CB-CD2 4.31Å; R303-Y393 HydrophobicContact CB-CE1 3.6Å; R303-Y393 HydrophobicContact CB-CE2 4.03Å; R303-Y393 HydrophobicContact CB-CG 4.24Å; R303-Y393 HydrophobicContact CG-CD1 4.25Å; R303-Y393 HydrophobicContact CG-CD2 4.02Å; R303-Y393 HydrophobicContact CG-CE1 4.33Å; R303-Y393 HydrophobicContact CG-CE2 4.08Å; R303-Y393 HydrophobicContact CG-CG 4.11Å; R303-Y393 PolarHBondContact N-OH 3.31Å; R303-S395 PolarHBondContact NE-OG 3.38Å; R303-S395 PolarHBondContact NH1-OG 2.81Å
304W98.5Very high96.5Very high0 Ų029.6 Ų29.60%018%0.183CC..G310 helixtrans-100.4-1-176.1-48.5124.1000113.3T296 W298 S301 S302 I318 R319 T320 I323 P325T296-W304 HydrophobicContact CG2-CD2 4.36Å; T296-W304 HydrophobicContact CG2-CH2 3.99Å; T296-W304 HydrophobicContact CG2-CZ2 3.49Å; T296-W304 VanDerWaalsContact CG2-CZ2 3.49Å; T296-W304 PolarHBondContact OG1-NE1 3.3Å; W298-W304 HydrophobicContact CB-CZ2 4.41Å; W298-W304 PolarHBondContact O-NE1 3.24Å; S301-W304 PolarHBondContact O-N 3.47Å; S302-W304 PolarHBondContact O-N 3.25Å; W304-I318 HydrophobicContact CB-CD1 4.44Å; W304-I318 HydrophobicContact CB-CG1 4.06Å; W304-I318 WeakPolarHBondContact O-CA 3.31Å; W304-R319 WeakPolarHBondContact O-CG 3.07Å; W304-R319 PolarHBondContact O-N 3.13Å; W304-T320 HydrophobicContact CD2-CG2 4.27Å; W304-T320 HydrophobicContact CE3-CG2 4.14Å; W304-I323 HydrophobicContact CE3-CB 4.26Å; W304-I323 HydrophobicContact CE3-CG1 4.22Å; W304-I323 HydrophobicContact CE3-CG2 4.32Å; W304-I323 HydrophobicContact CZ3-CB 4.11Å; W304-I323 HydrophobicContact CZ3-CG2 3.81Å; W304-P325 HydrophobicContact CH2-CB 3.69Å; W304-P325 HydrophobicContact CH2-CG 4.49Å; W304-P325 HydrophobicContact CZ3-CB 3.89Å
305F97.8Very high96.4Very high3 Ų331 Ų311%0.01319%0.19CC..SBendtrans-96161.7-173-58.8-12.6000110.7F300 S301 S302 H307 Y313 S314 L315 S317 I318 Q439F300-F305 HydrophobicContact CB-CE1 4.13Å; F300-F305 HydrophobicContact CB-CZ 3.74Å; S301-F305 WeakPolarHBondContact O-CD1 3.46Å; S301-F305 WeakPolarHBondContact O-CE1 3.32Å; S301-F305 WeakPolarHBondContact O-CZ 3.41Å; S302-F305 VanDerWaalsContact CA-CD2 3.48Å; S302-F305 PolarHBondContact O-N 2.73Å; S302-F305 VanDerWaalsContact O-N 3.14Å; F305-H307 PolarHBondContact O-CD2 2.69Å; F305-Y313 VanDerWaalsContact CD2-C 3.48Å; F305-Y313 WeakPolarHBondContact CD2-O 3.36Å; F305-S314 WeakPolarHBondContact CG-O 3.38Å; F305-L315 HydrophobicContact CE1-CB 4.35Å; F305-L315 HydrophobicContact CE1-CD1 3.63Å; F305-L315 HydrophobicContact CZ-CB 3.99Å; F305-L315 HydrophobicContact CZ-CD1 3.81Å; F305-S317 WeakPolarHBondContact CB-OG 2.99Å; F305-I318 HydrophobicContact CD1-CB 3.98Å; F305-I318 HydrophobicContact CD1-CG1 4.16Å; F305-I318 HydrophobicContact CE1-CB 4.12Å; F305-I318 HydrophobicContact CE1-CD1 4.21Å; F305-I318 HydrophobicContact CE1-CG1 4.18Å; F305-Q439 HydrophobicContact CE2-CG 3.72Å; F305-Q439 HydrophobicContact CZ-CG 3.85Å
306S96.6Very high96.2Very high28 Ų2835.8 Ų35.820%0.19621%0.208CC..  trans-65.6137166.8-172.40000109.3S308 A312 Y313 S317S306-S308 VanDerWaalsContact C-N 3.31Å; S306-S308 PolarHBondContact OG-N 3.05Å; S306-S308 PolarHBondContact OG-O 3.49Å; S306-A312 CarbonylContact O-C 3.39Å; S306-A312 VanDerWaalsContact O-CA 3.26Å; S306-A312 WeakPolarHBondContact O-CA 3.28Å; S306-Y313 PolarHBondContact O-N 2.72Å; S306-S317 PolarHBondContact N-O 3.27Å; S306-S317 PolarHBondContact N-OG 2.58Å
307H95.4Very high96Very high48 Ų4836.7 Ų36.722%0.22222%0.215CC..SBendtrans-92.93.7173.3-63.8174.1000112.4S302 F305 Y313 V389 Y393S302-H307 PolarHBondContact O-NE2 3.35Å; F305-H307 PolarHBondContact O-CD2 2.69Å; H307-Y313 HydrophobicContact CB-CE1 3.97Å; H307-Y313 AromaticContact CD2-CD1 3.75Å; H307-Y313 AromaticContact CD2-CE1 3.31Å; H307-Y313 WeakPolarHBondContact CD2-CE1 3.37Å; H307-Y313 AromaticContact CG-CE1 3.62Å; H307-Y313 AromaticContact CG-CZ 3.98Å; H307-Y313 AromaticContact NE2-CE1 3.89Å; H307-V389 VanDerWaalsContact CE1-CG1 3.43Å; H307-V389 WeakPolarHBondContact CE1-CG1 3.23Å; H307-Y393 PolarHBondContact NE2-OH 2.98Å
308S93.9Very high96Very high74 Ų7437.1 Ų37.152%0.51722%0.216SC..SBendtrans-142.6163.3-179.667.40000111.8S306S306-S308 VanDerWaalsContact C-N 3.31Å; S306-S308 PolarHBondContact OG-N 3.05Å; S306-S308 PolarHBondContact OG-O 3.49Å
309G93.7Very high95.9Very high54 Ų5438.2 Ų38.256%0.55722%0.22SC*.SBendtrans88.6-179-176.900000113.5E311 A312G309-E311 VanDerWaalsContact C-N 3.28Å; G309-E311 PolarHBondContact O-N 3.03Å; G309-A312 WeakPolarHBondContact O-CB 3.48Å; G309-A312 PolarHBondContact O-N 2.93Å
310P92.3Very high96Very high138 Ų13836.9 Ų36.990%0.89621%0.213SC*.THydrogen-bonded Turntrans-67.6-27.3-172.725.7-33.9000113.7
311E92.2Very high96Very high90 Ų9040.3 Ų40.342%0.42123%0.226SC..THydrogen-bonded Turntrans-101.119.2179.7-66-65.5159.800112.2G309 Y313 S314 R316 S317G309-E311 VanDerWaalsContact C-N 3.28Å; G309-E311 PolarHBondContact O-N 3.03Å; E311-Y313 PolarHBondContact O-N 2.78Å; E311-S314 WeakPolarHBondContact O-CB 3.49Å; E311-S314 PolarHBondContact O-N 2.77Å; E311-S314 PolarHBondContact O-OG 3.45Å; E311-S314 VanDerWaalsContact O-OG 3.08Å; E311-S314 PolarHBondContact OE2-OG 3.17Å; E311-R316 HydrophobicContact CG-CB 4.44Å; E311-S317 WeakPolarHBondContact O-CB 3.34Å; E311-S317 PolarHBondContact O-OG 2.92Å
312A94.8Very high95.9Very high32 Ų3240.9 Ų40.926%0.26423%0.23SC..THydrogen-bonded Turntrans-55.1135.7-177.700000111.4S306 G309 S314S306-A312 CarbonylContact O-C 3.39Å; S306-A312 VanDerWaalsContact O-CA 3.26Å; S306-A312 WeakPolarHBondContact O-CA 3.28Å; G309-A312 WeakPolarHBondContact O-CB 3.48Å; G309-A312 PolarHBondContact O-N 2.93Å; A312-S314 PolarHBondContact O-N 3.02Å
313Y95.6Very high96Very high92 Ų9241 Ų4136%0.36123%0.231SC..THydrogen-bonded Turntrans60.517.4-178.2-49.3-77.6000114.7F305 S306 H307 E311 I435F305-Y313 VanDerWaalsContact CD2-C 3.48Å; F305-Y313 WeakPolarHBondContact CD2-O 3.36Å; S306-Y313 PolarHBondContact O-N 2.72Å; H307-Y313 HydrophobicContact CB-CE1 3.97Å; H307-Y313 AromaticContact CD2-CD1 3.75Å; H307-Y313 AromaticContact CD2-CE1 3.31Å; H307-Y313 WeakPolarHBondContact CD2-CE1 3.37Å; H307-Y313 AromaticContact CG-CE1 3.62Å; H307-Y313 AromaticContact CG-CZ 3.98Å; H307-Y313 AromaticContact NE2-CE1 3.89Å; E311-Y313 PolarHBondContact O-N 2.78Å; Y313-I435 HydrophobicContact CD1-CD1 4.03Å; Y313-I435 HydrophobicContact CD1-CG2 3.93Å; Y313-I435 HydrophobicContact CE1-CD1 3.61Å; Y313-I435 HydrophobicContact CE1-CG1 4.44Å; Y313-I435 HydrophobicContact CE1-CG2 4.38Å; Y313-I435 HydrophobicContact CG-CG2 4.45Å
314S95.1Very high96Very high29 Ų2941 Ų4120%0.20323%0.231CC..SBendtrans-104.3150.617395.90000111.7F305 E311 A312 R316 S317F305-S314 WeakPolarHBondContact CG-O 3.38Å; E311-S314 WeakPolarHBondContact O-CB 3.49Å; E311-S314 PolarHBondContact O-N 2.77Å; E311-S314 PolarHBondContact O-OG 3.45Å; E311-S314 VanDerWaalsContact O-OG 3.08Å; E311-S314 PolarHBondContact OE2-OG 3.17Å; A312-S314 PolarHBondContact O-N 3.02Å; S314-R316 PolarHBondContact O-N 3.08Å; S314-R316 PolarHBondContact OG-N 2.8Å; S314-S317 PolarHBondContact O-N 3.27Å; S314-S317 PolarHBondContact O-OG 3Å
315L95.3Very high96Very high30 Ų3041 Ų4116%0.15723%0.231CC..G310 helixtrans-58.5-27.3174.9-177.759.4000112.6L273 F300 F305 S317 I318L273-L315 HydrophobicContact CD1-CB 4.27Å; L273-L315 HydrophobicContact CD1-CD2 4.2Å; L273-L315 HydrophobicContact CD1-CG 4.04Å; L273-L315 HydrophobicContact CD2-CD2 4.33Å; L273-L315 HydrophobicContact CD2-CG 3.97Å; F300-L315 HydrophobicContact CB-CD1 3.97Å; F300-L315 HydrophobicContact CD1-CD1 3.77Å; F300-L315 HydrophobicContact CD2-CD1 3.75Å; F300-L315 HydrophobicContact CD2-CD2 3.81Å; F300-L315 HydrophobicContact CD2-CG 4.45Å; F300-L315 HydrophobicContact CE1-CD1 4.24Å; F300-L315 HydrophobicContact CE2-CD1 4.21Å; F300-L315 HydrophobicContact CE2-CD2 3.99Å; F300-L315 HydrophobicContact CG-CD1 3.52Å; F300-L315 HydrophobicContact CG-CD2 4.44Å; F300-L315 HydrophobicContact CZ-CD1 4.44Å; F305-L315 HydrophobicContact CE1-CB 4.35Å; F305-L315 HydrophobicContact CE1-CD1 3.63Å; F305-L315 HydrophobicContact CZ-CB 3.99Å; F305-L315 HydrophobicContact CZ-CD1 3.81Å; L315-S317 PolarHBondContact O-N 2.87Å; L315-I318 HydrophobicContact CD1-CB 4.26Å; L315-I318 HydrophobicContact CD1-CD1 3.93Å; L315-I318 HydrophobicContact CD1-CG2 4.49Å; L315-I318 VanDerWaalsContact O-CB 3.31Å; L315-I318 WeakPolarHBondContact O-CB 3.42Å; L315-I318 VanDerWaalsContact O-CG2 3.22Å; L315-I318 WeakPolarHBondContact O-CG2 3.35Å; L315-I318 PolarHBondContact O-N 3.1Å; L315-I318 VanDerWaalsContact O-N 3.11Å
316R94Very high96Very high100 Ų10040.9 Ų40.938%0.37723%0.23SC..G310 helixtrans-63.9-20.3175.4-64.8-176.7-178.2-89.84.8112.5L273 E275 E311 S314L273-R316 HydrophobicContact CD1-CB 4.45Å; L273-R316 HydrophobicContact CD1-CG 3.56Å; L273-R316 HydrophobicContact CG-CG 4.29Å; L273-R316 PolarHBondContact O-NH1 3.15Å; E275-R316 IonicContact OE1-NH2 3.07Å; E311-R316 HydrophobicContact CG-CB 4.44Å; S314-R316 PolarHBondContact O-N 3.08Å; S314-R316 PolarHBondContact OG-N 2.8Å
317S95.8Very high96.1Very high19 Ų1939.6 Ų39.613%0.13322%0.221CC..G310 helixtrans-96.512.3176.976.40000114.4F305 S306 E311 S314 L315 R319F305-S317 WeakPolarHBondContact CB-OG 2.99Å; S306-S317 PolarHBondContact N-O 3.27Å; S306-S317 PolarHBondContact N-OG 2.58Å; E311-S317 WeakPolarHBondContact O-CB 3.34Å; E311-S317 PolarHBondContact O-OG 2.92Å; S314-S317 PolarHBondContact O-N 3.27Å; S314-S317 PolarHBondContact O-OG 3Å; L315-S317 PolarHBondContact O-N 2.87Å; S317-R319 PolarHBondContact O-N 2.91Å
318I97.3Very high96.3Very high11 Ų1137.3 Ų37.36%0.05621%0.211CC..  trans-57.6131-178.3-167.9168.6000112.4Q289 I290 F300 W304 F305 L315Q289-I318 HydrophobicContact CB-CG1 4.39Å; Q289-I318 HydrophobicContact CB-CG2 3.91Å; I290-I318 HydrophobicContact CG1-CG2 4.05Å; F300-I318 HydrophobicContact CD1-CD1 3.91Å; F300-I318 HydrophobicContact CE1-CD1 4.19Å; W304-I318 HydrophobicContact CB-CD1 4.44Å; W304-I318 HydrophobicContact CB-CG1 4.06Å; W304-I318 WeakPolarHBondContact O-CA 3.31Å; F305-I318 HydrophobicContact CD1-CB 3.98Å; F305-I318 HydrophobicContact CD1-CG1 4.16Å; F305-I318 HydrophobicContact CE1-CB 4.12Å; F305-I318 HydrophobicContact CE1-CD1 4.21Å; F305-I318 HydrophobicContact CE1-CG1 4.18Å; L315-I318 HydrophobicContact CD1-CB 4.26Å; L315-I318 HydrophobicContact CD1-CD1 3.93Å; L315-I318 HydrophobicContact CD1-CG2 4.49Å; L315-I318 VanDerWaalsContact O-CB 3.31Å; L315-I318 WeakPolarHBondContact O-CB 3.42Å; L315-I318 VanDerWaalsContact O-CG2 3.22Å; L315-I318 WeakPolarHBondContact O-CG2 3.35Å; L315-I318 PolarHBondContact O-N 3.1Å; L315-I318 VanDerWaalsContact O-N 3.11Å
319R97.4Very high96.5Very high22 Ų2234.4 Ų34.48%0.08319%0.189CC..  trans-145.640.6-172.859.5175.1-140.4108.417.4113.1Q289 W304 S317 W321 S322 D382 E384Q289-R319 VanDerWaalsContact OE1-C 3.27Å; W304-R319 WeakPolarHBondContact O-CG 3.07Å; W304-R319 PolarHBondContact O-N 3.13Å; S317-R319 PolarHBondContact O-N 2.91Å; R319-W321 PolarHBondContact O-N 3.49Å; R319-W321 VanDerWaalsContact O-N 3.08Å; R319-S322 VanDerWaalsContact NH1-CB 3.28Å; R319-S322 WeakPolarHBondContact O-CB 3.38Å; R319-S322 PolarHBondContact O-N 3.29Å; R319-D382 IonicContact CZ-OD1 3.91Å; R319-D382 IonicContact CZ-OD2 2.64Å; R319-D382 IonicContact NH1-OD1 3.33Å; R319-D382 PolarHBondContact NH1-OD1 3.27Å; R319-D382 IonicContact NH1-OD2 3Å; R319-D382 IonicContact NH2-OD1 3.68Å; R319-D382 PolarHBondContact NH2-OD1 3.28Å; R319-D382 IonicContact NH2-OD2 2.74Å; R319-D382 PolarHBondContact NH2-OD2 2.8Å; R319-E384 IonicContact CZ-OE2 3.26Å; R319-E384 IonicContact NH1-OE1 3.43Å; R319-E384 IonicContact NH1-OE2 3.98Å; R319-E384 PolarHBondContact NH1-OE2 2.78Å
320T98.3Very high96.8Very high1 Ų131.8 Ų31.81%0.00616%0.163CC..G310 helixtrans-44-42.3-178.8-40.90000114.6Q289 T296 W304 S322 I323Q289-T320 PolarHBondContact O-OG1 2.91Å; T296-T320 HydrophobicContact CG2-CG2 3.81Å; W304-T320 HydrophobicContact CD2-CG2 4.27Å; W304-T320 HydrophobicContact CE3-CG2 4.14Å; T320-S322 PolarHBondContact O-N 3.42Å; T320-I323 PolarHBondContact O-N 2.97Å; T320-I323 VanDerWaalsContact O-N 3.14Å
321W97.1Very high97.1Very high75 Ų7525.4 Ų25.428%0.28412%0.121SC..G310 helixtrans-64.4-17.1178.8-72.59.8000114.9Q254 K256 A257 E258 A288 S292 R319 I323Q254-W321 PolarHBondContact NE2-O 3.17Å; K256-W321 WeakPolarHBondContact CE-O 3.17Å; K256-W321 HydrophobicContact CG-CB 4.42Å; K256-W321 HydrophobicContact CG-CD2 4.5Å; K256-W321 HydrophobicContact CG-CG 4Å; A257-W321 WeakPolarHBondContact O-CZ2 3.35Å; A257-W321 PolarHBondContact O-NE1 3.43Å; E258-W321 HydrophobicContact CG-CH2 4.3Å; E258-W321 HydrophobicContact CG-CZ2 4.05Å; A288-W321 HydrophobicContact CB-CH2 3.86Å; A288-W321 HydrophobicContact CB-CZ2 3.51Å; S292-W321 VanDerWaalsContact OG-CD1 3.32Å; S292-W321 PolarHBondContact OG-NE1 3.13Å; R319-W321 PolarHBondContact O-N 3.49Å; R319-W321 VanDerWaalsContact O-N 3.08Å; W321-I323 VanDerWaalsContact C-N 3.34Å
322S97.2Very high97.4Very high12 Ų1221.2 Ų21.28%0.08410%0.101CC..G310 helixtrans-92.6-2.5-179.3-54.40000111.9R319 T320 L383 E384R319-S322 VanDerWaalsContact NH1-CB 3.28Å; R319-S322 WeakPolarHBondContact O-CB 3.38Å; R319-S322 PolarHBondContact O-N 3.29Å; T320-S322 PolarHBondContact O-N 3.42Å; S322-L383 WeakPolarHBondContact O-CB 3.46Å; S322-L383 PolarHBondContact O-N 2.63Å; S322-E384 WeakPolarHBondContact CB-OE1 3.21Å; S322-E384 VanDerWaalsContact OG-CD 3.25Å; S322-E384 PolarHBondContact OG-OE1 2.73Å
323I98.4Very high97.6Very high2 Ų219.7 Ų19.71%0.019%0.089CC..EExtended strand (participates in β ladder)trans-106.2131.8178.8-54.3-58.3000109.6Q254 W304 T320 W321 P325 D380 Y381 V389Q254-I323 WeakPolarHBondContact CG-O 3.28Å; Q254-I323 PolarHBondContact NE2-O 3.06Å; W304-I323 HydrophobicContact CE3-CB 4.26Å; W304-I323 HydrophobicContact CE3-CG1 4.22Å; W304-I323 HydrophobicContact CE3-CG2 4.32Å; W304-I323 HydrophobicContact CZ3-CB 4.11Å; W304-I323 HydrophobicContact CZ3-CG2 3.81Å; T320-I323 PolarHBondContact O-N 2.97Å; T320-I323 VanDerWaalsContact O-N 3.14Å; W321-I323 VanDerWaalsContact C-N 3.34Å; I323-P325 HydrophobicContact CG2-CB 4.37Å; I323-P325 VanDerWaalsContact O-CD 3.29Å; I323-P325 WeakPolarHBondContact O-CD 3.35Å; I323-D380 HydrophobicContact CG2-CB 3.62Å; I323-Y381 WeakPolarHBondContact CA-O 3.18Å; I323-V389 HydrophobicContact CD1-CG2 3.95Å
324I98.5Very high97.7Very high0 Ų016 Ų160%08%0.075CC..EExtended strand (participates in β ladder)trans-91106.4158.5-57.7169.3000106.5Y243 V252 Q254 N329 I369 H370 D380 Y381 L383Y243-I324 HydrophobicContact CD1-CD1 4.45Å; Y243-I324 HydrophobicContact CD2-CD1 4.48Å; Y243-I324 HydrophobicContact CG-CD1 4.13Å; V252-I324 HydrophobicContact CB-CD1 4.19Å; V252-I324 HydrophobicContact CB-CG2 4Å; V252-I324 HydrophobicContact CG1-CD1 4.24Å; V252-I324 HydrophobicContact CG1-CG2 4.39Å; V252-I324 HydrophobicContact CG2-CD1 3.91Å; V252-I324 HydrophobicContact CG2-CG1 4.37Å; Q254-I324 HydrophobicContact CG-CG1 4.01Å; I324-N329 WeakPolarHBondContact CG2-ND2 3.43Å; I324-I369 HydrophobicContact CD1-CG2 4.49Å; I324-H370 PolarHBondContact O-CE1 2.9Å; I324-H370 VanDerWaalsContact O-CE1 3.31Å; I324-D380 WeakPolarHBondContact O-CA 3.31Å; I324-Y381 HydrophobicContact CD1-CD1 4.35Å; I324-Y381 PolarHBondContact N-O 3.21Å; I324-Y381 PolarHBondContact O-N 3.33Å; I324-L383 HydrophobicContact CD1-CD1 4.4Å; I324-L383 HydrophobicContact CD1-CD2 3.59Å; I324-L383 HydrophobicContact CD1-CG 4.06Å; I324-L383 HydrophobicContact CG1-CD1 4.03Å; I324-L383 HydrophobicContact CG1-CD2 4.07Å; I324-L383 HydrophobicContact CG1-CG 3.94Å
325P98.7Very high97.9Very high1 Ų114.7 Ų14.71%0.0067%0.066CC..  trans-86.1132.4-170.833.6-34.9000111.6F253 Y255 W304 I323 D327 L328 N329 D380F253-P325 WeakPolarHBondContact O-CD 3.27Å; Y255-P325 HydrophobicContact CD2-CB 4.44Å; Y255-P325 HydrophobicContact CD2-CG 3.7Å; Y255-P325 HydrophobicContact CE2-CB 4.38Å; Y255-P325 HydrophobicContact CE2-CG 3.85Å; W304-P325 HydrophobicContact CH2-CB 3.69Å; W304-P325 HydrophobicContact CH2-CG 4.49Å; W304-P325 HydrophobicContact CZ3-CB 3.89Å; I323-P325 HydrophobicContact CG2-CB 4.37Å; I323-P325 VanDerWaalsContact O-CD 3.29Å; I323-P325 WeakPolarHBondContact O-CD 3.35Å; P325-D327 VanDerWaalsContact C-N 3.31Å; P325-D327 WeakPolarHBondContact CB-OD1 3.27Å; P325-D327 PolarHBondContact O-N 3.2Å; P325-L328 HydrophobicContact CG-CB 3.81Å; P325-L328 HydrophobicContact CG-CD2 4.3Å; P325-L328 PolarHBondContact O-N 3.04Å; P325-N329 PolarHBondContact O-N 3.21Å; P325-N329 PolarHBondContact O-ND2 3.11Å; P325-D380 WeakPolarHBondContact CA-OD1 3.42Å
326V98.7Very high98.1Very high0 Ų013.3 Ų13.30%06%0.058CC..Hα-helixtrans-61.6-38.5-175.965.90000112.4N329 A330 M366 H370 W378 D380 S395 P399V326-N329 PolarHBondContact O-N 2.96Å; V326-A330 VanDerWaalsContact O-CB 3.29Å; V326-A330 WeakPolarHBondContact O-CB 3.37Å; V326-A330 PolarHBondContact O-N 3.29Å; V326-M366 HydrophobicContact CG2-SD 3.96Å; V326-H370 HydrophobicContact CG2-CB 4.17Å; V326-W378 HydrophobicContact CG2-CB 3.54Å; V326-W378 HydrophobicContact CG2-CG 4.38Å; V326-D380 WeakPolarHBondContact CG1-OD1 3.16Å; V326-D380 PolarHBondContact N-OD1 3.5Å; V326-S395 WeakPolarHBondContact CG1-O 3.37Å; V326-P399 HydrophobicContact CG2-CG 3.61Å
327D98.8Very high98.3Very high1 Ų111.2 Ų11.21%0.0055%0.052CC..Hα-helixtrans-66.4-47.5-179.258.7-14.6000112.3R303 P325 N329 A330 F331 L398R303-D327 IonicContact CZ-OD1 3.28Å; R303-D327 IonicContact CZ-OD2 3.47Å; R303-D327 IonicContact NH1-OD1 3.98Å; R303-D327 IonicContact NH1-OD2 2.7Å; R303-D327 PolarHBondContact NH1-OD2 3Å; R303-D327 IonicContact NH2-OD1 3.07Å; R303-D327 PolarHBondContact NH2-OD1 3.03Å; R303-D327 IonicContact NH2-OD2 2.77Å; R303-D327 PolarHBondContact NH2-OD2 3.19Å; P325-D327 VanDerWaalsContact C-N 3.31Å; P325-D327 WeakPolarHBondContact CB-OD1 3.27Å; P325-D327 PolarHBondContact O-N 3.2Å; D327-N329 VanDerWaalsContact C-N 3.31Å; D327-N329 PolarHBondContact O-N 3.35Å; D327-A330 CarbonylContact O-C 3.59Å; D327-A330 WeakPolarHBondContact O-CB 3.47Å; D327-A330 PolarHBondContact O-N 3.38Å; D327-A330 VanDerWaalsContact O-N 3.16Å; D327-F331 HydrophobicContact CB-CE2 4.07Å; D327-F331 WeakPolarHBondContact O-CD2 3.29Å; D327-F331 WeakPolarHBondContact O-CG 3.5Å; D327-F331 PolarHBondContact O-N 3.46Å; D327-L398 HydrophobicContact CB-CB 4.28Å; D327-L398 HydrophobicContact CB-CD2 3.69Å; D327-L398 HydrophobicContact CB-CG 3.9Å
328L98.9Very high98.4Very high0 Ų010.9 Ų10.90%05%0.049CC..Hα-helixtrans-60-44.1176.6-177.954.1000111.3P202 W235 F253 Y255 P325 A330 F331 M332P202-L328 HydrophobicContact CG-CD1 4.11Å; W235-L328 HydrophobicContact CE3-CD1 3.83Å; W235-L328 HydrophobicContact CE3-CD2 4.4Å; W235-L328 HydrophobicContact CH2-CD1 3.99Å; W235-L328 HydrophobicContact CZ3-CD1 3.46Å; W235-L328 VanDerWaalsContact CZ3-CD1 3.46Å; W235-L328 HydrophobicContact CZ3-CD2 3.94Å; W235-L328 HydrophobicContact CZ3-CG 4.33Å; F253-L328 HydrophobicContact CB-CD2 3.69Å; F253-L328 HydrophobicContact CB-CG 3.78Å; Y255-L328 HydrophobicContact CD1-CD2 3.96Å; Y255-L328 HydrophobicContact CD2-CD2 4.18Å; Y255-L328 HydrophobicContact CE1-CB 4.43Å; Y255-L328 HydrophobicContact CE1-CD1 3.84Å; Y255-L328 HydrophobicContact CE1-CD2 3.92Å; Y255-L328 HydrophobicContact CE1-CG 4.26Å; Y255-L328 HydrophobicContact CE2-CB 3.79Å; Y255-L328 HydrophobicContact CE2-CD2 4.15Å; Y255-L328 HydrophobicContact CE2-CG 4.42Å; Y255-L328 HydrophobicContact CG-CD2 4.1Å; P325-L328 HydrophobicContact CG-CB 3.81Å; P325-L328 HydrophobicContact CG-CD2 4.3Å; P325-L328 PolarHBondContact O-N 3.04Å; L328-A330 VanDerWaalsContact C-N 3.3Å; L328-A330 PolarHBondContact O-N 3.12Å; L328-F331 PolarHBondContact O-N 3.28Å; L328-M332 HydrophobicContact CD1-CG 4.21Å; L328-M332 WeakPolarHBondContact O-CB 3.42Å; L328-M332 VanDerWaalsContact O-CG 3.3Å; L328-M332 WeakPolarHBondContact O-CG 3.37Å; L328-M332 PolarHBondContact O-N 2.76Å
329N98.8Very high98.5Very high13 Ų1310.4 Ų10.47%0.075%0.046CC..Hα-helixtrans-68.4-33179.5-72.1-87.4000111.1F253 I324 P325 V326 D327 C333 M366F253-N329 WeakPolarHBondContact CD2-OD1 3.29Å; F253-N329 PolarHBondContact N-OD1 3.29Å; F253-N329 PolarHBondContact O-ND2 2.94Å; I324-N329 WeakPolarHBondContact CG2-ND2 3.43Å; P325-N329 PolarHBondContact O-N 3.21Å; P325-N329 PolarHBondContact O-ND2 3.11Å; V326-N329 PolarHBondContact O-N 2.96Å; D327-N329 VanDerWaalsContact C-N 3.31Å; D327-N329 PolarHBondContact O-N 3.35Å; N329-C333 VanDerWaalsContact O-CB 3.27Å; N329-C333 WeakPolarHBondContact O-CB 3.45Å; N329-C333 PolarHBondContact O-N 3.08Å; N329-M366 HydrophobicContact CB-CE 3.94Å
330A98.8Very high98.5Very high0 Ų09.4 Ų9.40%04%0.043CC..Hα-helixtrans-66.4-43.3170.800000112.1V326 D327 L328 C333 L334 M366 L398 P399 A402V326-A330 VanDerWaalsContact O-CB 3.29Å; V326-A330 WeakPolarHBondContact O-CB 3.37Å; V326-A330 PolarHBondContact O-N 3.29Å; D327-A330 CarbonylContact O-C 3.59Å; D327-A330 WeakPolarHBondContact O-CB 3.47Å; D327-A330 PolarHBondContact O-N 3.38Å; D327-A330 VanDerWaalsContact O-N 3.16Å; L328-A330 VanDerWaalsContact C-N 3.3Å; L328-A330 PolarHBondContact O-N 3.12Å; A330-C333 WeakPolarHBondContact O-CB 3.32Å; A330-C333 PolarHBondContact O-N 3.44Å; A330-L334 WeakPolarHBondContact O-CB 3.12Å; A330-L334 PolarHBondContact O-N 2.86Å; A330-M366 HydrophobicContact CB-CE 3.97Å; A330-L398 HydrophobicContact CB-CB 3.87Å; A330-P399 HydrophobicContact CB-CG 4.17Å; A330-A402 HydrophobicContact CB-CB 3.98Å; A330-A402 VanDerWaalsContact O-CB 3.3Å; A330-A402 WeakPolarHBondContact O-CB 3.37Å
331F98.8Very high98.6Very high4 Ų411.4 Ų11.42%0.0185%0.054CC..Hα-helixtrans-63.3-43175.1-65.7-46.9000111.8P201 P202 L203 D327 L328 C333 L334 N335 L398 M453P201-F331 HydrophobicContact CB-CD2 3.95Å; P201-F331 HydrophobicContact CB-CE2 3.75Å; P201-F331 HydrophobicContact CG-CE2 4.45Å; P202-F331 HydrophobicContact CG-CB 4.1Å; L203-F331 HydrophobicContact CD2-CD1 3.74Å; L203-F331 HydrophobicContact CD2-CE1 3.83Å; L203-F331 HydrophobicContact CD2-CG 4.47Å; D327-F331 HydrophobicContact CB-CE2 4.07Å; D327-F331 WeakPolarHBondContact O-CD2 3.29Å; D327-F331 WeakPolarHBondContact O-CG 3.5Å; D327-F331 PolarHBondContact O-N 3.46Å; L328-F331 PolarHBondContact O-N 3.28Å; F331-C333 VanDerWaalsContact C-N 3.31Å; F331-C333 PolarHBondContact O-N 3.25Å; F331-L334 WeakPolarHBondContact O-CB 3.29Å; F331-L334 PolarHBondContact O-N 2.78Å; F331-N335 WeakPolarHBondContact O-CB 3.12Å; F331-N335 PolarHBondContact O-N 2.9Å; F331-N335 PolarHBondContact O-ND2 3.1Å; F331-N335 PolarHBondContact O-OD1 2.62Å; F331-L398 HydrophobicContact CE1-CD1 4.35Å; F331-L398 HydrophobicContact CE1-CG 4.49Å; F331-L398 HydrophobicContact CZ-CD1 4.25Å; F331-L398 HydrophobicContact CZ-CG 4.18Å; F331-M453 HydrophobicContact CE1-CE 3.57Å; F331-M453 HydrophobicContact CE1-SD 3.98Å; F331-M453 HydrophobicContact CZ-CE 3.9Å; F331-M453 HydrophobicContact CZ-SD 3.96Å
332M98.8Very high98.6Very high1 Ų17.9 Ų7.91%0.0054%0.04CC..Hα-helixtrans-65.3-36.2176.5-69.4-55-67.100112.2P202 Y232 W235 F253 L328 N335 T336P202-M332 HydrophobicContact CG-SD 3.82Å; Y232-M332 HydrophobicContact CD2-CE 3.57Å; Y232-M332 HydrophobicContact CE2-CE 3.29Å; Y232-M332 HydrophobicContact CG-CE 4.46Å; W235-M332 HydrophobicContact CB-CE 3.41Å; W235-M332 VanDerWaalsContact CB-CE 3.41Å; W235-M332 HydrophobicContact CB-SD 3.8Å; W235-M332 HydrophobicContact CD2-SD 4.24Å; W235-M332 HydrophobicContact CG-CE 4.08Å; W235-M332 HydrophobicContact CG-SD 3.84Å; F253-M332 HydrophobicContact CB-CG 4.29Å; F253-M332 HydrophobicContact CD1-CE 4.11Å; F253-M332 HydrophobicContact CD1-CG 4.02Å; F253-M332 HydrophobicContact CD2-CB 3.67Å; F253-M332 HydrophobicContact CD2-CG 3.68Å; F253-M332 HydrophobicContact CE1-CE 3.57Å; F253-M332 HydrophobicContact CE1-CG 4.26Å; F253-M332 HydrophobicContact CE2-CB 3.65Å; F253-M332 HydrophobicContact CE2-CE 4.3Å; F253-M332 HydrophobicContact CE2-CG 3.95Å; F253-M332 HydrophobicContact CG-CB 4.25Å; F253-M332 HydrophobicContact CG-CG 3.72Å; F253-M332 HydrophobicContact CZ-CB 4.2Å; F253-M332 HydrophobicContact CZ-CE 3.68Å; F253-M332 HydrophobicContact CZ-CG 4.23Å; L328-M332 HydrophobicContact CD1-CG 4.21Å; L328-M332 WeakPolarHBondContact O-CB 3.42Å; L328-M332 VanDerWaalsContact O-CG 3.3Å; L328-M332 WeakPolarHBondContact O-CG 3.37Å; L328-M332 PolarHBondContact O-N 2.76Å; M332-N335 PolarHBondContact O-N 3.32Å; M332-T336 WeakPolarHBondContact O-CG2 3.38Å; M332-T336 PolarHBondContact O-N 3.17Å; M332-T336 VanDerWaalsContact O-N 3.11Å
333C98.7Very high98.7Very high0 Ų08 Ų80%04%0.039CC..Hα-helixtrans-63.5-49.5171.5-171.80000111.8N329 A330 F331 N335 T336 K337 F359 A362 C404N329-C333 VanDerWaalsContact O-CB 3.27Å; N329-C333 WeakPolarHBondContact O-CB 3.45Å; N329-C333 PolarHBondContact O-N 3.08Å; A330-C333 WeakPolarHBondContact O-CB 3.32Å; A330-C333 PolarHBondContact O-N 3.44Å; F331-C333 VanDerWaalsContact C-N 3.31Å; F331-C333 PolarHBondContact O-N 3.25Å; C333-N335 VanDerWaalsContact C-N 3.28Å; C333-N335 PolarHBondContact O-N 2.96Å; C333-T336 PolarHBondContact O-N 3.31Å; C333-T336 VanDerWaalsContact O-N 3.15Å; C333-T336 PolarHBondContact O-OG1 3.01Å; C333-K337 PolarHBondContact O-N 2.86Å; C333-K337 VanDerWaalsContact O-N 3.14Å; C333-F359 VanDerWaalsContact SG-CD2 3.59Å; C333-F359 WeakPolarHBondContact SG-CE2 3.32Å; C333-A362 HydrophobicContact CB-CB 3.84Å; C333-C404 HydrophobicContact CB-CB 3.76Å; C333-C404 WeakPolarHBondContact CB-SG 3.42Å; C333-C404 WeakPolarHBondContact SG-CB 3.47Å; C333-C404 CovalentContact SG-SG 2.02Å; C333-C404 PolarHBondContact SG-SG 3.17Å
334L98.7Very high98.7Very high14 Ų1413.4 Ų13.47%0.0736%0.064CC..Hα-helixtrans-55-45.2174.3176.161.7000111.2P206 A330 F331 T336 K337 L338 Y401 A402P206-L334 HydrophobicContact CG-CD2 3.9Å; P206-L334 HydrophobicContact CG-CG 4.43Å; A330-L334 WeakPolarHBondContact O-CB 3.12Å; A330-L334 PolarHBondContact O-N 2.86Å; F331-L334 WeakPolarHBondContact O-CB 3.29Å; F331-L334 PolarHBondContact O-N 2.78Å; L334-T336 VanDerWaalsContact C-N 3.32Å; L334-T336 PolarHBondContact O-N 2.66Å; L334-K337 WeakPolarHBondContact O-CB 3.17Å; L334-K337 PolarHBondContact O-N 2.84Å; L334-K337 VanDerWaalsContact O-N 3.15Å; L334-L338 HydrophobicContact CD1-CD1 3.87Å; L334-L338 HydrophobicContact CD1-CD2 4.33Å; L334-L338 HydrophobicContact CD1-CG 3.86Å; L334-L338 HydrophobicContact CG-CD1 3.94Å; L334-L338 HydrophobicContact CG-CG 4.25Å; L334-L338 WeakPolarHBondContact O-CG 3.42Å; L334-L338 PolarHBondContact O-N 3.26Å; L334-Y401 HydrophobicContact CD2-CD1 4.43Å; L334-Y401 HydrophobicContact CD2-CE1 3.76Å; L334-A402 HydrophobicContact CB-CB 3.96Å
335N98.9Very high98.7Very high2 Ų216.4 Ų16.41%0.0118%0.079CC..Hα-helixtrans-60.6-39.6179.8-73.4-10.3000112.2P202 I205 P206 Y232 F331 M332 C333 L338 L339P202-N335 PolarHBondContact O-ND2 3.5Å; P202-N335 PolarHBondContact O-OD1 3.23Å; I205-N335 HydrophobicContact CD1-CB 3.7Å; I205-N335 HydrophobicContact CG2-CB 4.46Å; P206-N335 VanDerWaalsContact CD-OD1 3.25Å; P206-N335 WeakPolarHBondContact CD-OD1 3.37Å; Y232-N335 HydrophobicContact CD2-CB 4.21Å; Y232-N335 HydrophobicContact CE2-CB 4.32Å; F331-N335 WeakPolarHBondContact O-CB 3.12Å; F331-N335 PolarHBondContact O-N 2.9Å; F331-N335 PolarHBondContact O-ND2 3.1Å; F331-N335 PolarHBondContact O-OD1 2.62Å; M332-N335 PolarHBondContact O-N 3.32Å; C333-N335 VanDerWaalsContact C-N 3.28Å; C333-N335 PolarHBondContact O-N 2.96Å; N335-L338 PolarHBondContact O-N 3.04Å; N335-L339 WeakPolarHBondContact O-CB 3.37Å; N335-L339 VanDerWaalsContact O-CG 3.26Å; N335-L339 WeakPolarHBondContact O-CG 3.23Å; N335-L339 PolarHBondContact O-N 3.22Å
336T98.6Very high98.6Very high1 Ų118.5 Ų18.51%0.0069%0.092CC..Hα-helixtrans-64.9-43174.357.10000112.6Y232 M332 C333 L334 A340 R358 F359Y232-T336 HydrophobicContact CE2-CG2 3.73Å; Y232-T336 WeakPolarHBondContact OH-CG2 3.35Å; M332-T336 WeakPolarHBondContact O-CG2 3.38Å; M332-T336 PolarHBondContact O-N 3.17Å; M332-T336 VanDerWaalsContact O-N 3.11Å; C333-T336 PolarHBondContact O-N 3.31Å; C333-T336 VanDerWaalsContact O-N 3.15Å; C333-T336 PolarHBondContact O-OG1 3.01Å; L334-T336 VanDerWaalsContact C-N 3.32Å; L334-T336 PolarHBondContact O-N 2.66Å; T336-A340 PolarHBondContact O-N 2.9Å; T336-A340 VanDerWaalsContact O-N 3.08Å; T336-R358 HydrophobicContact CG2-CB 3.74Å; T336-F359 VanDerWaalsContact OG1-CA 3.26Å; T336-F359 WeakPolarHBondContact OG1-CA 3.49Å; T336-F359 WeakPolarHBondContact OG1-CB 3.44Å
337K98.6Very high98.5Very high56 Ų5621.2 Ų21.224%0.24312%0.12CC..Hα-helixtrans-59.5-49.3176179.2-177.8177.2178.40111.1C333 L334 A340 N341 F359C333-K337 PolarHBondContact O-N 2.86Å; C333-K337 VanDerWaalsContact O-N 3.14Å; L334-K337 WeakPolarHBondContact O-CB 3.17Å; L334-K337 PolarHBondContact O-N 2.84Å; L334-K337 VanDerWaalsContact O-N 3.15Å; K337-A340 WeakPolarHBondContact O-CB 3.2Å; K337-A340 PolarHBondContact O-N 3.31Å; K337-N341 PolarHBondContact O-N 2.97Å; K337-N341 VanDerWaalsContact O-N 3.1Å; K337-N341 PolarHBondContact O-OD1 2.78Å; K337-F359 HydrophobicContact CB-CD1 4.41Å; K337-F359 HydrophobicContact CB-CD2 3.76Å; K337-F359 HydrophobicContact CB-CE1 4.46Å; K337-F359 HydrophobicContact CB-CE2 3.82Å; K337-F359 HydrophobicContact CB-CG 4.08Å; K337-F359 HydrophobicContact CB-CZ 4.19Å; K337-F359 HydrophobicContact CD-CE1 4.36Å; K337-F359 HydrophobicContact CD-CE2 4.15Å; K337-F359 HydrophobicContact CD-CZ 3.88Å; K337-F359 HydrophobicContact CG-CE1 4.37Å; K337-F359 HydrophobicContact CG-CE2 4.37Å; K337-F359 HydrophobicContact CG-CZ 4.24Å
338L98.8Very high98.5Very high13 Ų1324.2 Ų24.27%0.06814%0.136CC..Hα-helixtrans-69.1-38.4-177.4-65-175.4000112.2I205 P206 Y209 L334 N335 A340 N341 M342I205-L338 HydrophobicContact CG2-CB 3.57Å; I205-L338 HydrophobicContact CG2-CD1 4.09Å; I205-L338 HydrophobicContact CG2-CG 4.46Å; P206-L338 HydrophobicContact CB-CD1 4.18Å; P206-L338 HydrophobicContact CG-CD1 3.93Å; Y209-L338 HydrophobicContact CD1-CD1 4.43Å; Y209-L338 HydrophobicContact CD1-CD2 3.74Å; Y209-L338 HydrophobicContact CD2-CD2 4.1Å; Y209-L338 HydrophobicContact CE1-CD2 3.83Å; Y209-L338 HydrophobicContact CE2-CD2 4.19Å; Y209-L338 HydrophobicContact CG-CD1 4.34Å; Y209-L338 HydrophobicContact CG-CD2 3.87Å; L334-L338 HydrophobicContact CD1-CD1 3.87Å; L334-L338 HydrophobicContact CD1-CD2 4.33Å; L334-L338 HydrophobicContact CD1-CG 3.86Å; L334-L338 HydrophobicContact CG-CD1 3.94Å; L334-L338 HydrophobicContact CG-CG 4.25Å; L334-L338 WeakPolarHBondContact O-CG 3.42Å; L334-L338 PolarHBondContact O-N 3.26Å; N335-L338 PolarHBondContact O-N 3.04Å; L338-A340 VanDerWaalsContact C-N 3.33Å; L338-A340 PolarHBondContact O-N 3.03Å; L338-N341 PolarHBondContact O-N 2.81Å; L338-M342 HydrophobicContact CB-CE 4.42Å; L338-M342 WeakPolarHBondContact O-CB 3.44Å; L338-M342 WeakPolarHBondContact O-CE 3.37Å; L338-M342 VanDerWaalsContact O-CG 3.27Å; L338-M342 WeakPolarHBondContact O-CG 3.29Å; L338-M342 PolarHBondContact O-N 2.62Å
339L98.9Very high98.4Very high0 Ų030.1 Ų30.10%017%0.167CC..Hα-helixtrans-60.1-42.8173.3-77168.3000111.6I205 L225 L228 Y232 N335 M342 Y343 Y355I205-L339 HydrophobicContact CD1-CD1 3.72Å; I205-L339 HydrophobicContact CD1-CD2 4.13Å; I205-L339 HydrophobicContact CD1-CG 3.84Å; I205-L339 HydrophobicContact CG1-CD2 4.32Å; I205-L339 HydrophobicContact CG1-CG 4.38Å; I205-L339 HydrophobicContact CG2-CG 4.49Å; L225-L339 HydrophobicContact CD2-CD2 4.4Å; L228-L339 HydrophobicContact CB-CD2 4.02Å; Y232-L339 HydrophobicContact CD1-CD1 4.42Å; Y232-L339 HydrophobicContact CD2-CD1 4.01Å; Y232-L339 HydrophobicContact CG-CD1 3.93Å; N335-L339 WeakPolarHBondContact O-CB 3.37Å; N335-L339 VanDerWaalsContact O-CG 3.26Å; N335-L339 WeakPolarHBondContact O-CG 3.23Å; N335-L339 PolarHBondContact O-N 3.22Å; L339-M342 HydrophobicContact CD2-CE 3.97Å; L339-M342 HydrophobicContact CG-CE 4.39Å; L339-M342 PolarHBondContact O-N 2.84Å; L339-Y343 HydrophobicContact CD2-CE2 4.36Å; L339-Y343 WeakPolarHBondContact O-CB 3.46Å; L339-Y343 WeakPolarHBondContact O-CD2 3.44Å; L339-Y343 PolarHBondContact O-N 3.38Å; L339-Y355 HydrophobicContact CB-CD1 3.92Å; L339-Y355 HydrophobicContact CB-CD2 3.91Å; L339-Y355 HydrophobicContact CB-CE1 4.18Å; L339-Y355 HydrophobicContact CB-CE2 4.19Å; L339-Y355 HydrophobicContact CB-CG 3.79Å; L339-Y355 HydrophobicContact CD1-CD1 3.93Å; L339-Y355 HydrophobicContact CD1-CE1 3.46Å; L339-Y355 VanDerWaalsContact CD1-CE1 3.46Å; L339-Y355 HydrophobicContact CD1-CE2 4.4Å; L339-Y355 HydrophobicContact CG-CE1 4.44Å
340A98.7Very high98.4Very high2 Ų234.8 Ų34.82%0.01720%0.196CC..Hα-helixtrans-58.7-49.1174.700000111.7T336 K337 L338 M342 Y343 E344 Q356T336-A340 PolarHBondContact O-N 2.9Å; T336-A340 VanDerWaalsContact O-N 3.08Å; K337-A340 WeakPolarHBondContact O-CB 3.2Å; K337-A340 PolarHBondContact O-N 3.31Å; L338-A340 VanDerWaalsContact C-N 3.33Å; L338-A340 PolarHBondContact O-N 3.03Å; A340-M342 PolarHBondContact O-N 2.84Å; A340-Y343 PolarHBondContact O-N 3.29Å; A340-E344 PolarHBondContact O-N 3.05Å; A340-Q356 HydrophobicContact CB-CG 3.92Å
341N98.5Very high98.4Very high43 Ų4337 Ų3723%0.2321%0.206CC..Hα-helixtrans-60.4-45.3179.1-67.44.1000112Y209 K337 L338 Y343 E344 M345Y209-N341 HydrophobicContact CE2-CB 4.21Å; K337-N341 PolarHBondContact O-N 2.97Å; K337-N341 VanDerWaalsContact O-N 3.1Å; K337-N341 PolarHBondContact O-OD1 2.78Å; L338-N341 PolarHBondContact O-N 2.81Å; N341-Y343 PolarHBondContact O-N 2.03Å; N341-E344 WeakPolarHBondContact O-CB 3.49Å; N341-E344 PolarHBondContact O-N 3.31Å; N341-M345 VanDerWaalsContact O-CG 3.29Å; N341-M345 WeakPolarHBondContact O-CG 3.45Å; N341-M345 PolarHBondContact O-N 2.78Å
342M98.8Very high98.4Very high0 Ų037.1 Ų37.10%021%0.207CC..Hα-helixtrans-68-36-179.3-68.5-178-57.300112I205 V208 Y209 L221 L225 L228 L338 L339 A340 E344 M345 V346I205-M342 HydrophobicContact CG2-CE 3.71Å; V208-M342 HydrophobicContact CG1-SD 4.26Å; Y209-M342 HydrophobicContact CD2-CG 3.79Å; Y209-M342 HydrophobicContact CD2-SD 4.2Å; Y209-M342 HydrophobicContact CE2-CG 4.48Å; L221-M342 HydrophobicContact CD1-CB 3.99Å; L221-M342 HydrophobicContact CD1-CG 3.75Å; L221-M342 HydrophobicContact CD1-SD 3.5Å; L221-M342 VanDerWaalsContact CD1-SD 3.5Å; L221-M342 HydrophobicContact CD2-CB 4.23Å; L221-M342 HydrophobicContact CD2-CG 4.35Å; L221-M342 HydrophobicContact CG-CB 4.5Å; L225-M342 HydrophobicContact CD2-CB 3.88Å; L225-M342 HydrophobicContact CD2-CE 4.35Å; L228-M342 HydrophobicContact CD1-CE 3.68Å; L228-M342 HydrophobicContact CD1-SD 4.21Å; L338-M342 HydrophobicContact CB-CE 4.42Å; L338-M342 WeakPolarHBondContact O-CB 3.44Å; L338-M342 WeakPolarHBondContact O-CE 3.37Å; L338-M342 VanDerWaalsContact O-CG 3.27Å; L338-M342 WeakPolarHBondContact O-CG 3.29Å; L338-M342 PolarHBondContact O-N 2.62Å; L339-M342 HydrophobicContact CD2-CE 3.97Å; L339-M342 HydrophobicContact CG-CE 4.39Å; L339-M342 PolarHBondContact O-N 2.84Å; A340-M342 PolarHBondContact O-N 2.84Å; M342-E344 VanDerWaalsContact C-N 3.31Å; M342-E344 PolarHBondContact O-N 3.21Å; M342-M345 HydrophobicContact CG-SD 4.49Å; M342-M345 WeakPolarHBondContact O-CB 3.45Å; M342-M345 PolarHBondContact O-N 3.39Å; M342-V346 PolarHBondContact O-N 3.16Å
343Y98.6Very high98.4Very high14 Ų1442.7 Ų42.76%0.05524%0.236CC..Hα-helixtrans-68.6-29.6172.9-84.4-58.9000113.4L225 E229 L339 A340 N341 V346 G347 N348 K351 Y355L225-Y343 HydrophobicContact CB-CE1 4.26Å; L225-Y343 HydrophobicContact CD1-CD1 3.95Å; L225-Y343 HydrophobicContact CD1-CE1 3.8Å; L225-Y343 HydrophobicContact CD2-CD1 4.38Å; L225-Y343 HydrophobicContact CD2-CD2 4.29Å; L225-Y343 HydrophobicContact CD2-CE1 4.09Å; L225-Y343 HydrophobicContact CD2-CE2 3.99Å; L225-Y343 HydrophobicContact CD2-CG 4.47Å; L225-Y343 HydrophobicContact CG-CE1 4.29Å; E229-Y343 HydrophobicContact CG-CE2 3.97Å; E229-Y343 WeakPolarHBondContact CG-OH 3.49Å; E229-Y343 WeakPolarHBondContact OE1-CE2 3.21Å; E229-Y343 PolarHBondContact OE1-OH 3.23Å; L339-Y343 HydrophobicContact CD2-CE2 4.36Å; L339-Y343 WeakPolarHBondContact O-CB 3.46Å; L339-Y343 WeakPolarHBondContact O-CD2 3.44Å; L339-Y343 PolarHBondContact O-N 3.38Å; A340-Y343 PolarHBondContact O-N 3.29Å; N341-Y343 PolarHBondContact O-N 2.03Å; Y343-V346 HydrophobicContact CD1-CG2 3.99Å; Y343-G347 PolarHBondContact O-N 2.69Å; Y343-G347 VanDerWaalsContact O-N 3.12Å; Y343-N348 HydrophobicContact CD1-CB 3.78Å; Y343-N348 HydrophobicContact CG-CB 4.5Å; Y343-N348 PolarHBondContact O-N 2.99Å; Y343-K351 HydrophobicContact CD1-CB 3.67Å; Y343-K351 HydrophobicContact CD1-CG 3.98Å; Y343-K351 HydrophobicContact CD2-CB 3.5Å; Y343-K351 HydrophobicContact CD2-CG 4.2Å; Y343-K351 HydrophobicContact CE1-CB 4.12Å; Y343-K351 HydrophobicContact CE1-CG 3.94Å; Y343-K351 HydrophobicContact CE2-CB 3.96Å; Y343-K351 HydrophobicContact CE2-CD 4.38Å; Y343-K351 HydrophobicContact CE2-CG 4.17Å; Y343-K351 HydrophobicContact CG-CB 3.35Å; Y343-K351 HydrophobicContact CG-CG 4.12Å; Y343-Y355 AromaticContact CD2-CD2 3.83Å; Y343-Y355 HydrophobicContact CD2-CD2 3.83Å; Y343-Y355 AromaticContact CD2-CE2 3.87Å; Y343-Y355 HydrophobicContact CD2-CE2 3.87Å; Y343-Y355 HydrophobicContact CE2-CD2 4.09Å; Y343-Y355 AromaticContact CE2-CE2 3.62Å; Y343-Y355 HydrophobicContact CE2-CE2 3.62Å
344E98.1Very high98.4Very high116 Ų11646.6 Ų46.654%0.54225%0.254SS..Hα-helixtrans-66.3-43.3171.1-175.7172.2-147.300110.6A340 N341 M342 V346 G347 V352A340-E344 PolarHBondContact O-N 3.05Å; N341-E344 WeakPolarHBondContact O-CB 3.49Å; N341-E344 PolarHBondContact O-N 3.31Å; M342-E344 VanDerWaalsContact C-N 3.31Å; M342-E344 PolarHBondContact O-N 3.21Å; E344-V346 VanDerWaalsContact C-N 3.29Å; E344-V346 PolarHBondContact O-N 2.97Å; E344-G347 PolarHBondContact O-N 3.34Å; E344-V352 HydrophobicContact CB-CG2 3.74Å; E344-V352 VanDerWaalsContact N-CG2 3.29Å
345M97.8Very high98.4Very high64 Ų6446.2 Ų46.232%0.31525%0.252SS..Hα-helixtrans-59.3-35.7177.5-66.2163.7179.200113.1Y209 Y212 I218 L221 N341 M342Y209-M345 HydrophobicContact CE2-CE 3.64Å; Y209-M345 HydrophobicContact CE2-SD 4.44Å; Y212-M345 HydrophobicContact CD1-CE 4.16Å; Y212-M345 HydrophobicContact CD1-SD 3.67Å; Y212-M345 HydrophobicContact CE1-CE 3.81Å; Y212-M345 HydrophobicContact CE1-CG 4.25Å; Y212-M345 HydrophobicContact CE1-SD 3.33Å; Y212-M345 WeakPolarHBondContact CE1-SD 3.3Å; I218-M345 HydrophobicContact CD1-CB 4.15Å; L221-M345 HydrophobicContact CD2-CB 4Å; L221-M345 HydrophobicContact CD2-SD 3.96Å; N341-M345 VanDerWaalsContact O-CG 3.29Å; N341-M345 WeakPolarHBondContact O-CG 3.45Å; N341-M345 PolarHBondContact O-N 2.78Å; M342-M345 HydrophobicContact CG-SD 4.49Å; M342-M345 WeakPolarHBondContact O-CB 3.45Å; M342-M345 PolarHBondContact O-N 3.39Å
346V97.6Very high98.4Very high44 Ų4450.4 Ų50.427%0.26727%0.271SS..THydrogen-bonded Turntrans-93.34.3175.8-55.10000113.8I218 L221 D222 L225 M342 Y343 E344 N348I218-V346 HydrophobicContact CD1-CG1 4.09Å; L221-V346 HydrophobicContact CD2-CG1 4.26Å; L221-V346 HydrophobicContact CG-CG1 4.45Å; D222-V346 HydrophobicContact CB-CG1 4.17Å; L225-V346 HydrophobicContact CD1-CB 4.31Å; L225-V346 HydrophobicContact CD1-CG1 3.82Å; L225-V346 HydrophobicContact CD1-CG2 3.52Å; M342-V346 PolarHBondContact O-N 3.16Å; Y343-V346 HydrophobicContact CD1-CG2 3.99Å; E344-V346 VanDerWaalsContact C-N 3.29Å; E344-V346 PolarHBondContact O-N 2.97Å; V346-N348 HydrophobicContact CG2-CB 4.47Å
347G97.1Very high98.3Very high58 Ų5852.9 Ų52.960%0.59829%0.292SS*.THydrogen-bonded Turntrans77.820.9173.300000116.3Y343 E344 L349Y343-G347 PolarHBondContact O-N 2.69Å; Y343-G347 VanDerWaalsContact O-N 3.12Å; E344-G347 PolarHBondContact O-N 3.34Å; G347-L349 PolarHBondContact O-N 3.43Å
348N97.9Very high98.3Very high63 Ų6353.3 Ų53.334%0.33729%0.292SS..  trans-94.681.4178.6-167.6-31.5000112.5Y343 V346 T350 K351 V352Y343-N348 HydrophobicContact CD1-CB 3.78Å; Y343-N348 HydrophobicContact CG-CB 4.5Å; Y343-N348 PolarHBondContact O-N 2.99Å; V346-N348 HydrophobicContact CG2-CB 4.47Å; N348-T350 VanDerWaalsContact C-N 3.28Å; N348-T350 PolarHBondContact O-N 3.23Å; N348-T350 PolarHBondContact OD1-N 3.03Å; N348-K351 HydrophobicContact CB-CB 4.3Å; N348-K351 HydrophobicContact CB-CG 4.44Å; N348-K351 PolarHBondContact O-N 3.18Å; N348-K351 VanDerWaalsContact O-N 3.13Å; N348-K351 WeakPolarHBondContact OD1-CG 3.44Å; N348-K351 PolarHBondContact OD1-N 3.36Å; N348-V352 WeakPolarHBondContact O-CG2 3.47Å; N348-V352 PolarHBondContact O-N 3.29Å; N348-V352 VanDerWaalsContact O-N 3.07Å
349L98.1Very high98.3Very high124 Ų12454.3 Ų54.365%0.64930%0.296SS*.Hα-helixtrans-59-33-176.1-64.4178.2000114.4G347 K351 V352 L353G347-L349 PolarHBondContact O-N 3.43Å; L349-K351 VanDerWaalsContact C-N 3.34Å; L349-K351 PolarHBondContact O-N 2.9Å; L349-V352 PolarHBondContact O-N 3.24Å; L349-L353 WeakPolarHBondContact O-CG 3.05Å; L349-L353 PolarHBondContact O-N 2.8Å; L349-L353 VanDerWaalsContact O-N 3.1Å
350T98.6Very high98.2Very high111 Ų11159 Ų5968%0.68132%0.317SS*.Hα-helixtrans-62.5-44177.7-57.40000111N348 Q354N348-T350 VanDerWaalsContact C-N 3.28Å; N348-T350 PolarHBondContact O-N 3.23Å; N348-T350 PolarHBondContact OD1-N 3.03Å; T350-Q354 PolarHBondContact O-N 2.87Å
351K98.4Very high98.1Very high47 Ų4764 Ų6420%0.20434%0.34CS..Hα-helixtrans-70.3-37177.4-68.9-64.2-164.7160.80112.3E229 Y343 N348 L349 L353 Q354 Y355E229-K351 VanDerWaalsContact OE1-CD 3.28Å; E229-K351 WeakPolarHBondContact OE1-CD 3.29Å; E229-K351 WeakPolarHBondContact OE1-CE 3.49Å; E229-K351 IonicContact OE1-NZ 2.66Å; E229-K351 PolarHBondContact OE1-NZ 2.98Å; E229-K351 IonicContact OE2-NZ 2.77Å; E229-K351 PolarHBondContact OE2-NZ 3.02Å; Y343-K351 HydrophobicContact CD1-CB 3.67Å; Y343-K351 HydrophobicContact CD1-CG 3.98Å; Y343-K351 HydrophobicContact CD2-CB 3.5Å; Y343-K351 HydrophobicContact CD2-CG 4.2Å; Y343-K351 HydrophobicContact CE1-CB 4.12Å; Y343-K351 HydrophobicContact CE1-CG 3.94Å; Y343-K351 HydrophobicContact CE2-CB 3.96Å; Y343-K351 HydrophobicContact CE2-CD 4.38Å; Y343-K351 HydrophobicContact CE2-CG 4.17Å; Y343-K351 HydrophobicContact CG-CB 3.35Å; Y343-K351 HydrophobicContact CG-CG 4.12Å; N348-K351 HydrophobicContact CB-CB 4.3Å; N348-K351 HydrophobicContact CB-CG 4.44Å; N348-K351 PolarHBondContact O-N 3.18Å; N348-K351 VanDerWaalsContact O-N 3.13Å; N348-K351 WeakPolarHBondContact OD1-CG 3.44Å; N348-K351 PolarHBondContact OD1-N 3.36Å; L349-K351 VanDerWaalsContact C-N 3.34Å; L349-K351 PolarHBondContact O-N 2.9Å; K351-L353 PolarHBondContact O-N 3.36Å; K351-Q354 WeakPolarHBondContact O-CB 3.33Å; K351-Q354 PolarHBondContact O-N 2.88Å; K351-Y355 HydrophobicContact CD-CE2 4.3Å; K351-Y355 VanDerWaalsContact O-CD2 3.27Å; K351-Y355 WeakPolarHBondContact O-CD2 3.3Å; K351-Y355 PolarHBondContact O-N 3.41Å
352V98.7Very high98.1Very high7 Ų763.1 Ų63.14%0.04234%0.339CS..Hα-helixtrans-53.8-54.8173.5175.20000110.7E344 N348 L349 Q354 Y355 Q356E344-V352 HydrophobicContact CB-CG2 3.74Å; E344-V352 VanDerWaalsContact N-CG2 3.29Å; N348-V352 WeakPolarHBondContact O-CG2 3.47Å; N348-V352 PolarHBondContact O-N 3.29Å; N348-V352 VanDerWaalsContact O-N 3.07Å; L349-V352 PolarHBondContact O-N 3.24Å; V352-Q354 VanDerWaalsContact C-N 3.31Å; V352-Q354 PolarHBondContact O-N 3.35Å; V352-Y355 PolarHBondContact O-N 2.77Å; V352-Q356 HydrophobicContact CG1-CG 4.23Å; V352-Q356 WeakPolarHBondContact O-CB 3.48Å; V352-Q356 VanDerWaalsContact O-CG 3.31Å; V352-Q356 WeakPolarHBondContact O-CG 3.5Å; V352-Q356 PolarHBondContact O-N 3.3Å
353L98.7Very high98.1Very high118 Ų11864.6 Ų64.662%0.61835%0.346SS*.Hα-helixtrans-61.4-40-179.3-66.9174.3000112.2L349 K351 A357L349-L353 WeakPolarHBondContact O-CG 3.05Å; L349-L353 PolarHBondContact O-N 2.8Å; L349-L353 VanDerWaalsContact O-N 3.1Å; K351-L353 PolarHBondContact O-N 3.36Å; L353-A357 WeakPolarHBondContact O-CB 3.21Å; L353-A357 PolarHBondContact O-N 2.92Å; L353-A357 VanDerWaalsContact O-N 3.1Å
354Q98.5Very high98Very high81 Ų8166.1 Ų66.138%0.37936%0.355SS..Hα-helixtrans-59.2-48.5177.2-178.5-177.1-000111.8T350 K351 V352 R358T350-Q354 PolarHBondContact O-N 2.87Å; K351-Q354 WeakPolarHBondContact O-CB 3.33Å; K351-Q354 PolarHBondContact O-N 2.88Å; V352-Q354 VanDerWaalsContact C-N 3.31Å; V352-Q354 PolarHBondContact O-N 3.35Å; Q354-R358 PolarHBondContact O-N 2.96Å
355Y98.6Very high97.9Very high6 Ų661 Ų612%0.02433%0.332CS..Hα-helixtrans-80.1-29.1-176.2-75.7-67.1000113.3E229 Y232 L339 Y343 K351 V352 A357 R358 F359E229-Y355 HydrophobicContact CG-CE2 4.46Å; E229-Y355 WeakPolarHBondContact CG-OH 3.47Å; E229-Y355 VanDerWaalsContact OE1-CE2 3.29Å; E229-Y355 WeakPolarHBondContact OE1-CE2 3.39Å; E229-Y355 PolarHBondContact OE1-OH 3.45Å; Y232-Y355 AromaticContact CD1-CE1 3.95Å; Y232-Y355 HydrophobicContact CD1-CE1 3.95Å; Y232-Y355 AromaticContact CE1-CE1 3.85Å; Y232-Y355 HydrophobicContact CE1-CE1 3.85Å; L339-Y355 HydrophobicContact CB-CD1 3.92Å; L339-Y355 HydrophobicContact CB-CD2 3.91Å; L339-Y355 HydrophobicContact CB-CE1 4.18Å; L339-Y355 HydrophobicContact CB-CE2 4.19Å; L339-Y355 HydrophobicContact CB-CG 3.79Å; L339-Y355 HydrophobicContact CD1-CD1 3.93Å; L339-Y355 HydrophobicContact CD1-CE1 3.46Å; L339-Y355 VanDerWaalsContact CD1-CE1 3.46Å; L339-Y355 HydrophobicContact CD1-CE2 4.4Å; L339-Y355 HydrophobicContact CG-CE1 4.44Å; Y343-Y355 AromaticContact CD2-CD2 3.83Å; Y343-Y355 HydrophobicContact CD2-CD2 3.83Å; Y343-Y355 AromaticContact CD2-CE2 3.87Å; Y343-Y355 HydrophobicContact CD2-CE2 3.87Å; Y343-Y355 HydrophobicContact CE2-CD2 4.09Å; Y343-Y355 AromaticContact CE2-CE2 3.62Å; Y343-Y355 HydrophobicContact CE2-CE2 3.62Å; K351-Y355 HydrophobicContact CD-CE2 4.3Å; K351-Y355 VanDerWaalsContact O-CD2 3.27Å; K351-Y355 WeakPolarHBondContact O-CD2 3.3Å; K351-Y355 PolarHBondContact O-N 3.41Å; V352-Y355 PolarHBondContact O-N 2.77Å; Y355-A357 VanDerWaalsContact C-N 3.35Å; Y355-R358 PolarHBondContact O-N 3.14Å; Y355-F359 WeakPolarHBondContact O-CB 3.39Å; Y355-F359 PolarHBondContact O-N 2.92Å
356Q98.3Very high97.9Very high90 Ų9058.1 Ų58.142%0.42132%0.318SS..Hα-helixtrans-62.1-41.8169.5-76178.8-15.600111.9A340 V352 F359 H360A340-Q356 HydrophobicContact CB-CG 3.92Å; V352-Q356 HydrophobicContact CG1-CG 4.23Å; V352-Q356 WeakPolarHBondContact O-CB 3.48Å; V352-Q356 VanDerWaalsContact O-CG 3.31Å; V352-Q356 WeakPolarHBondContact O-CG 3.5Å; V352-Q356 PolarHBondContact O-N 3.3Å; Q356-F359 PolarHBondContact O-N 2.94Å; Q356-H360 PolarHBondContact O-N 2.85Å
357A98.2Very high97.9Very high53 Ų5361.5 Ų61.544%0.43833%0.329SS..Hα-helixtrans-61.1-46.4175.100000111.5L353 Y355 F359 H360 E361L353-A357 WeakPolarHBondContact O-CB 3.21Å; L353-A357 PolarHBondContact O-N 2.92Å; L353-A357 VanDerWaalsContact O-N 3.1Å; Y355-A357 VanDerWaalsContact C-N 3.35Å; A357-F359 VanDerWaalsContact C-N 3.34Å; A357-F359 PolarHBondContact O-N 3.01Å; A357-H360 PolarHBondContact O-N 3.48Å; A357-E361 PolarHBondContact O-N 3.38Å
358R97.7Very high97.9Very high66 Ų6664.3 Ų64.325%0.24933%0.325CS..Hα-helixtrans-62.1-39.1175.9-71.8-173.8170.5-77.6-5.4112.9D251 T336 Q354 Y355 H360 E361 A362D251-R358 IonicContact OD2-NH1 3.76Å; T336-R358 HydrophobicContact CG2-CB 3.74Å; Q354-R358 PolarHBondContact O-N 2.96Å; Y355-R358 PolarHBondContact O-N 3.14Å; R358-H360 VanDerWaalsContact C-N 3.34Å; R358-E361 PolarHBondContact O-N 3.12Å; R358-A362 WeakPolarHBondContact O-CB 3.44Å; R358-A362 PolarHBondContact O-N 2.98Å
359F98.3Very high97.9Very high34 Ų3461.4 Ų61.415%0.14931%0.309CS..Hα-helixtrans-63.2-41.9176.3177.8-124.4000111.6C333 T336 K337 Y355 Q356 A357 A362 K363C333-F359 VanDerWaalsContact SG-CD2 3.59Å; C333-F359 WeakPolarHBondContact SG-CE2 3.32Å; T336-F359 VanDerWaalsContact OG1-CA 3.26Å; T336-F359 WeakPolarHBondContact OG1-CA 3.49Å; T336-F359 WeakPolarHBondContact OG1-CB 3.44Å; K337-F359 HydrophobicContact CB-CD1 4.41Å; K337-F359 HydrophobicContact CB-CD2 3.76Å; K337-F359 HydrophobicContact CB-CE1 4.46Å; K337-F359 HydrophobicContact CB-CE2 3.82Å; K337-F359 HydrophobicContact CB-CG 4.08Å; K337-F359 HydrophobicContact CB-CZ 4.19Å; K337-F359 HydrophobicContact CD-CE1 4.36Å; K337-F359 HydrophobicContact CD-CE2 4.15Å; K337-F359 HydrophobicContact CD-CZ 3.88Å; K337-F359 HydrophobicContact CG-CE1 4.37Å; K337-F359 HydrophobicContact CG-CE2 4.37Å; K337-F359 HydrophobicContact CG-CZ 4.24Å; Y355-F359 WeakPolarHBondContact O-CB 3.39Å; Y355-F359 PolarHBondContact O-N 2.92Å; Q356-F359 PolarHBondContact O-N 2.94Å; A357-F359 VanDerWaalsContact C-N 3.34Å; A357-F359 PolarHBondContact O-N 3.01Å; F359-A362 PolarHBondContact O-N 3.02Å; F359-K363 HydrophobicContact CD2-CG 4.47Å; F359-K363 HydrophobicContact CE1-CD 4.01Å; F359-K363 HydrophobicContact CE2-CD 4.16Å; F359-K363 HydrophobicContact CE2-CG 4.04Å; F359-K363 HydrophobicContact CZ-CD 3.73Å; F359-K363 HydrophobicContact CZ-CG 4.14Å; F359-K363 WeakPolarHBondContact O-CG 3.39Å; F359-K363 PolarHBondContact O-N 3.09Å
360H97.8Very high97.9Very high98 Ų9855.6 Ų55.645%0.45428%0.279SS..Hα-helixtrans-61.7-45.5174.5-177.567.2000112Q356 A357 R358 A362 K363 L364Q356-H360 PolarHBondContact O-N 2.85Å; A357-H360 PolarHBondContact O-N 3.48Å; R358-H360 VanDerWaalsContact C-N 3.34Å; H360-A362 PolarHBondContact O-N 3.08Å; H360-K363 PolarHBondContact O-N 3.02Å; H360-L364 WeakPolarHBondContact O-CG 3.32Å; H360-L364 PolarHBondContact O-N 3.01Å
361E97Very high97.9Very high106 Ų10651.4 Ų51.450%0.49525%0.25SS..Hα-helixtrans-61.2-42.3176-71.6176.2167.700112.5A357 R358 K363 L364 A365A357-E361 PolarHBondContact O-N 3.38Å; R358-E361 PolarHBondContact O-N 3.12Å; E361-K363 PolarHBondContact O-N 3.34Å; E361-L364 PolarHBondContact O-N 3.03Å; E361-A365 PolarHBondContact O-N 3.49Å
362A97.9Very high97.9Very high25 Ų2550.4 Ų50.421%0.20725%0.247CC..Hα-helixtrans-63-40.6178.100000112.4C333 R358 F359 H360 L364 A365 M366C333-A362 HydrophobicContact CB-CB 3.84Å; R358-A362 WeakPolarHBondContact O-CB 3.44Å; R358-A362 PolarHBondContact O-N 2.98Å; F359-A362 PolarHBondContact O-N 3.02Å; H360-A362 PolarHBondContact O-N 3.08Å; A362-L364 VanDerWaalsContact C-N 3.34Å; A362-L364 PolarHBondContact O-N 2.7Å; A362-A365 PolarHBondContact O-N 2.95Å; A362-M366 WeakPolarHBondContact O-CB 3.44Å; A362-M366 PolarHBondContact O-N 3.24Å
363K97.9Very high97.8Very high32 Ų3255.6 Ų55.614%0.13927%0.271CS..Hα-helixtrans-61.9-40.8173.4-73.3-169.4-66.1177.70112.4F359 H360 E361 M366 K367 D406F359-K363 HydrophobicContact CD2-CG 4.47Å; F359-K363 HydrophobicContact CE1-CD 4.01Å; F359-K363 HydrophobicContact CE2-CD 4.16Å; F359-K363 HydrophobicContact CE2-CG 4.04Å; F359-K363 HydrophobicContact CZ-CD 3.73Å; F359-K363 HydrophobicContact CZ-CG 4.14Å; F359-K363 WeakPolarHBondContact O-CG 3.39Å; F359-K363 PolarHBondContact O-N 3.09Å; H360-K363 PolarHBondContact O-N 3.02Å; E361-K363 PolarHBondContact O-N 3.34Å; K363-M366 PolarHBondContact O-N 3.44Å; K363-K367 PolarHBondContact O-N 3.33Å; K363-D406 WeakPolarHBondContact CE-OD1 3.45Å; K363-D406 IonicContact NZ-OD1 2.64Å; K363-D406 PolarHBondContact NZ-OD1 3.28Å; K363-D406 IonicContact NZ-OD2 3.75Å
364L96.9Very high97.7Very high46 Ų4658.3 Ų58.324%0.24128%0.28CS..Hα-helixtrans-65.8-40.5176.3-65.5178.6000111.8F250 H360 E361 A362 K367 K368F250-L364 HydrophobicContact CE1-CB 3.84Å; H360-L364 WeakPolarHBondContact O-CG 3.32Å; H360-L364 PolarHBondContact O-N 3.01Å; E361-L364 PolarHBondContact O-N 3.03Å; A362-L364 VanDerWaalsContact C-N 3.34Å; A362-L364 PolarHBondContact O-N 2.7Å; L364-K367 PolarHBondContact O-N 3.26Å; L364-K368 WeakPolarHBondContact O-CB 3.31Å; L364-K368 WeakPolarHBondContact O-CG 3.48Å; L364-K368 PolarHBondContact O-N 3.39Å
365A97.1Very high97.7Very high8 Ų857.3 Ų57.37%0.06628%0.278CS..Hα-helixtrans-61.2-46.217400000110.9F250 E361 A362 K367 K368 I369F250-A365 HydrophobicContact CB-CB 3.93Å; F250-A365 HydrophobicContact CD1-CB 3.76Å; F250-A365 HydrophobicContact CG-CB 4.04Å; E361-A365 PolarHBondContact O-N 3.49Å; A362-A365 PolarHBondContact O-N 2.95Å; A365-K367 VanDerWaalsContact C-N 3.33Å; A365-K367 PolarHBondContact O-N 3.43Å; A365-K368 PolarHBondContact O-N 3.34Å; A365-K368 VanDerWaalsContact O-N 3.13Å; A365-I369 HydrophobicContact CB-CD1 4.48Å; A365-I369 WeakPolarHBondContact O-CB 3.26Å; A365-I369 PolarHBondContact O-N 2.97Å
366M98Very high97.7Very high3 Ų357 Ų572%0.01528%0.277CS..Iπ-helixtrans-56.4-45.7177.1-167.458.269.100112V326 N329 A330 A362 K363 H370 W371 W378 P399V326-M366 HydrophobicContact CG2-SD 3.96Å; N329-M366 HydrophobicContact CB-CE 3.94Å; A330-M366 HydrophobicContact CB-CE 3.97Å; A362-M366 WeakPolarHBondContact O-CB 3.44Å; A362-M366 PolarHBondContact O-N 3.24Å; K363-M366 PolarHBondContact O-N 3.44Å; M366-H370 WeakPolarHBondContact O-CB 3.43Å; M366-H370 PolarHBondContact O-N 3.33Å; M366-H370 VanDerWaalsContact O-N 3.17Å; M366-H370 HydrophobicContact SD-CB 3.75Å; M366-W371 PolarHBondContact O-N 2.84Å; M366-W371 VanDerWaalsContact O-N 3.14Å; M366-W378 HydrophobicContact SD-CG 4.31Å; M366-P399 HydrophobicContact CE-CG 4.03Å; M366-P399 HydrophobicContact CG-CB 4.09Å; M366-P399 HydrophobicContact CG-CG 4.16Å; M366-P399 HydrophobicContact SD-CB 4.14Å; M366-P399 HydrophobicContact SD-CG 3.54Å; M366-P399 VanDerWaalsContact SD-CG 3.54Å
367K97.2Very high97.7Very high115 Ų11552.8 Ų52.850%0.526%0.257SS..Iπ-helixtrans-67.7-35.4176.5-177168.9-174.9164.60113.7K363 L364 A365 W371K363-K367 PolarHBondContact O-N 3.33Å; L364-K367 PolarHBondContact O-N 3.26Å; A365-K367 VanDerWaalsContact C-N 3.33Å; A365-K367 PolarHBondContact O-N 3.43Å; K367-W371 WeakPolarHBondContact O-CB 3.22Å
368K96.9Very high97.7Very high118 Ų11850.4 Ų50.451%0.51324%0.237SC..Iπ-helixtrans-89.6-27.1-172.6-73.1-65.8-175.3-177.80114.5V245 F250 L364 A365V245-K368 HydrophobicContact CG1-CB 4.02Å; F250-K368 HydrophobicContact CE2-CB 4.02Å; F250-K368 HydrophobicContact CE2-CG 4.3Å; F250-K368 HydrophobicContact CZ-CB 3.98Å; F250-K368 HydrophobicContact CZ-CG 3.86Å; L364-K368 WeakPolarHBondContact O-CB 3.31Å; L364-K368 WeakPolarHBondContact O-CG 3.48Å; L364-K368 PolarHBondContact O-N 3.39Å; A365-K368 PolarHBondContact O-N 3.34Å; A365-K368 VanDerWaalsContact O-N 3.13Å
369I97.3Very high97.8Very high1 Ų147.4 Ų47.41%0.00523%0.226CC..Iπ-helixtrans-106.6-37.5-173.7-61.4175.8000111.4Y243 V245 F250 V252 I324 A365 Y381 H388Y243-I369 HydrophobicContact CD1-CD1 3.95Å; Y243-I369 HydrophobicContact CD1-CG1 4.22Å; V245-I369 HydrophobicContact CG1-CG1 3.95Å; F250-I369 HydrophobicContact CB-CD1 4.05Å; F250-I369 HydrophobicContact CD2-CD1 4.29Å; F250-I369 HydrophobicContact CG-CD1 4.38Å; V252-I369 HydrophobicContact CG1-CD1 3.41Å; V252-I369 VanDerWaalsContact CG1-CD1 3.41Å; I324-I369 HydrophobicContact CD1-CG2 4.49Å; A365-I369 HydrophobicContact CB-CD1 4.48Å; A365-I369 WeakPolarHBondContact O-CB 3.26Å; A365-I369 PolarHBondContact O-N 2.97Å; I369-Y381 HydrophobicContact CG2-CD2 4.08Å; I369-Y381 HydrophobicContact CG2-CG 3.88Å; I369-Y381 VanDerWaalsContact O-CD2 3.24Å; I369-Y381 WeakPolarHBondContact O-CD2 3.43Å; I369-H388 PolarHBondContact O-CD2 3.44Å; I369-H388 PolarHBondContact O-NE2 3.1Å; I369-H388 VanDerWaalsContact O-NE2 3.08Å
370H98.1Very high97.8Very high3 Ų345.8 Ų45.81%0.01422%0.219CC..Iπ-helixtrans-106.6-33.4-170.1-65.1-75.4000113.4I324 V326 M366 N372 W378 Y379I324-H370 PolarHBondContact O-CE1 2.9Å; I324-H370 VanDerWaalsContact O-CE1 3.31Å; V326-H370 HydrophobicContact CG2-CB 4.17Å; M366-H370 WeakPolarHBondContact O-CB 3.43Å; M366-H370 PolarHBondContact O-N 3.33Å; M366-H370 VanDerWaalsContact O-N 3.17Å; M366-H370 HydrophobicContact SD-CB 3.75Å; H370-N372 PolarHBondContact O-N 3.39Å; H370-W378 HydrophobicContact CB-CB 4.08Å; H370-W378 HydrophobicContact CB-CG 4.36Å; H370-W378 CarbonylContact O-C 3.41Å; H370-W378 VanDerWaalsContact O-CA 3.22Å; H370-W378 WeakPolarHBondContact O-CA 3.48Å; H370-Y379 WeakPolarHBondContact CB-O 3.46Å; H370-Y379 PolarHBondContact ND1-O 2.94Å; H370-Y379 PolarHBondContact O-N 3.26Å
371W98.2Very high97.8Very high22 Ų2242.3 Ų42.38%0.08320%0.201CC..EExtended strand (participates in β ladder)trans-71.8124.4-175.4-177.6-105.2000112.3M366 K367 E373 G376 W378 H388 A410 R413 V414M366-W371 PolarHBondContact O-N 2.84Å; M366-W371 VanDerWaalsContact O-N 3.14Å; K367-W371 WeakPolarHBondContact O-CB 3.22Å; W371-E373 PolarHBondContact NE1-OE2 2.8Å; W371-G376 VanDerWaalsContact CH2-O 3.25Å; W371-G376 WeakPolarHBondContact CH2-O 3.43Å; W371-W378 AromaticContact CE3-CD1 3.85Å; W371-W378 AromaticContact CE3-CD2 3.56Å; W371-W378 HydrophobicContact CE3-CD2 3.56Å; W371-W378 AromaticContact CE3-CE2 3.29Å; W371-W378 HydrophobicContact CE3-CE3 4.15Å; W371-W378 AromaticContact CE3-CG 3.9Å; W371-W378 HydrophobicContact CE3-CG 3.9Å; W371-W378 HydrophobicContact CE3-CH2 4.23Å; W371-W378 AromaticContact CE3-CZ2 3.64Å; W371-W378 HydrophobicContact CE3-CZ2 3.64Å; W371-W378 HydrophobicContact CE3-CZ3 4.46Å; W371-W378 AromaticContact CE3-NE1 3.48Å; W371-W378 AromaticContact CZ3-CD2 3.86Å; W371-W378 HydrophobicContact CZ3-CD2 3.86Å; W371-W378 AromaticContact CZ3-CE2 3.71Å; W371-W378 AromaticContact CZ3-CE3 3.96Å; W371-W378 HydrophobicContact CZ3-CE3 3.96Å; W371-W378 AromaticContact CZ3-CH2 3.78Å; W371-W378 HydrophobicContact CZ3-CH2 3.78Å; W371-W378 AromaticContact CZ3-CZ2 3.65Å; W371-W378 HydrophobicContact CZ3-CZ2 3.65Å; W371-W378 AromaticContact CZ3-CZ3 3.95Å; W371-W378 HydrophobicContact CZ3-CZ3 3.95Å; W371-H388 PolarHBondContact O-CE1 3.29Å; W371-A410 HydrophobicContact CH2-CB 3.85Å; W371-A410 HydrophobicContact CZ2-CB 4.49Å; W371-A410 HydrophobicContact CZ3-CB 4.18Å; W371-R413 HydrophobicContact CH2-CB 4.23Å; W371-V414 HydrophobicContact CH2-CG2 4.4Å; W371-V414 HydrophobicContact CZ3-CG2 4.05Å
372N98.1Very high97.8Very high26 Ų2637.6 Ų37.614%0.13918%0.18CC..EExtended strand (participates in β ladder)trans-95.6118.7169.4-171.6-43.2000110.2H370 E374 D375 G376 I377 Y379 H388H370-N372 PolarHBondContact O-N 3.39Å; N372-E374 WeakPolarHBondContact OD1-CB 3.41Å; N372-E374 PolarHBondContact OD1-N 2.98Å; N372-D375 HydrophobicContact CB-CB 4.24Å; N372-D375 PolarHBondContact ND2-OD2 3.45Å; N372-D375 VanDerWaalsContact ND2-OD2 3.08Å; N372-D375 PolarHBondContact OD1-N 3.11Å; N372-D375 VanDerWaalsContact OD1-N 3.11Å; N372-G376 WeakPolarHBondContact O-CA 3.32Å; N372-G376 PolarHBondContact O-N 2.81Å; N372-I377 PolarHBondContact N-O 3.38Å; N372-Y379 HydrophobicContact CB-CD2 3.74Å; N372-Y379 HydrophobicContact CB-CE2 3.69Å; N372-H388 PolarHBondContact ND2-ND1 2.83Å
373E96.9Very high97.7Very high117 Ų11738.6 Ų38.655%0.54718%0.181SC..THydrogen-bonded Turntrans-74.8-21.5-177.2-166.657.5-140.100113.6W371 R413W371-E373 PolarHBondContact NE1-OE2 2.8Å; E373-R413 PolarHBondContact O-NH2 3.22Å; E373-R413 IonicContact OE1-CZ 3.68Å; E373-R413 IonicContact OE1-NH1 3.71Å; E373-R413 PolarHBondContact OE1-NH1 3.32Å; E373-R413 IonicContact OE1-NH2 2.79Å; E373-R413 IonicContact OE2-NH1 2.7Å
374E97.4Very high97.5Very high174 Ų17442.2 Ų42.281%0.81320%0.199SC*.THydrogen-bonded Turntrans-80.7-52.5175.8-176.6171.8-179.700110.1N372N372-E374 WeakPolarHBondContact OD1-CB 3.41Å; N372-E374 PolarHBondContact OD1-N 2.98Å
375D98Very high97.4Very high60 Ų6044.2 Ų44.232%0.32121%0.21SC..THydrogen-bonded Turntrans-77.7-24.8-175.3-63.2-42.7000113.1N372 I377 Y379 Y417N372-D375 HydrophobicContact CB-CB 4.24Å; N372-D375 PolarHBondContact ND2-OD2 3.45Å; N372-D375 VanDerWaalsContact ND2-OD2 3.08Å; N372-D375 PolarHBondContact OD1-N 3.11Å; N372-D375 VanDerWaalsContact OD1-N 3.11Å; D375-I377 HydrophobicContact CB-CG2 4.11Å; D375-Y379 HydrophobicContact CB-CE2 4.15Å; D375-Y379 WeakPolarHBondContact OD2-CE2 3.47Å; D375-Y379 PolarHBondContact OD2-OH 2.94Å; D375-Y417 HydrophobicContact CB-CD2 3.88Å; D375-Y417 HydrophobicContact CB-CE2 3.86Å; D375-Y417 WeakPolarHBondContact O-CD2 3.37Å
376G98.1Very high97.3Very high1 Ų150.3 Ų50.31%0.0124%0.237CC..THydrogen-bonded Turntrans70.634.4-178.300000113.6W371 N372 R413 V414W371-G376 VanDerWaalsContact CH2-O 3.25Å; W371-G376 WeakPolarHBondContact CH2-O 3.43Å; N372-G376 WeakPolarHBondContact O-CA 3.32Å; N372-G376 PolarHBondContact O-N 2.81Å; G376-R413 CarbonylContact O-C 3.59Å; G376-V414 WeakPolarHBondContact O-CA 3.39Å; G376-V414 WeakPolarHBondContact O-CG2 3.45Å; G376-V414 PolarHBondContact O-N 2.91Å
377I98.5Very high97.2Very high0 Ų056.1 Ų56.10%026%0.259CS..EExtended strand (participates in β ladder)trans-144164.3176.9-162.3160000111.3N372 D375 Y379 N396 V397 V414 Y417 L418N372-I377 PolarHBondContact N-O 3.38Å; D375-I377 HydrophobicContact CB-CG2 4.11Å; I377-Y379 HydrophobicContact CG2-CD2 4.5Å; I377-Y379 HydrophobicContact CG2-CE1 3.86Å; I377-Y379 HydrophobicContact CG2-CE2 3.81Å; I377-Y379 VanDerWaalsContact CG2-CZ 3.43Å; I377-Y379 WeakPolarHBondContact CG2-OH 3.31Å; I377-N396 HydrophobicContact CD1-CB 3.74Å; I377-N396 HydrophobicContact CG1-CB 3.9Å; I377-V397 HydrophobicContact CD1-CG1 4.48Å; I377-V414 HydrophobicContact CD1-CG1 4.07Å; I377-V414 HydrophobicContact CG1-CG1 4.33Å; I377-V414 HydrophobicContact CG1-CG2 4.3Å; I377-Y417 HydrophobicContact CB-CD1 4.05Å; I377-Y417 HydrophobicContact CB-CD2 4.4Å; I377-Y417 HydrophobicContact CB-CE1 4.46Å; I377-Y417 HydrophobicContact CB-CG 4Å; I377-Y417 HydrophobicContact CD1-CD1 3.29Å; I377-Y417 HydrophobicContact CD1-CE1 3.64Å; I377-Y417 HydrophobicContact CD1-CG 4.07Å; I377-Y417 HydrophobicContact CG1-CD1 4.24Å; I377-Y417 HydrophobicContact CG2-CD1 3.97Å; I377-Y417 HydrophobicContact CG2-CD2 3.92Å; I377-Y417 HydrophobicContact CG2-CE1 3.93Å; I377-Y417 HydrophobicContact CG2-CE2 3.9Å; I377-Y417 HydrophobicContact CG2-CG 3.95Å; I377-L418 HydrophobicContact CD1-CD2 4.33Å
378W98.7Very high97.2Very high4 Ų452.5 Ų52.52%0.01524%0.243CC..EExtended strand (participates in β ladder)trans-93.1132.5174.1-61.6-88.4000112.4V326 M366 H370 W371 N396 P399 L400 Y405 A410 V414V326-W378 HydrophobicContact CG2-CB 3.54Å; V326-W378 HydrophobicContact CG2-CG 4.38Å; M366-W378 HydrophobicContact SD-CG 4.31Å; H370-W378 HydrophobicContact CB-CB 4.08Å; H370-W378 HydrophobicContact CB-CG 4.36Å; H370-W378 CarbonylContact O-C 3.41Å; H370-W378 VanDerWaalsContact O-CA 3.22Å; H370-W378 WeakPolarHBondContact O-CA 3.48Å; W371-W378 AromaticContact CE3-CD1 3.85Å; W371-W378 AromaticContact CE3-CD2 3.56Å; W371-W378 HydrophobicContact CE3-CD2 3.56Å; W371-W378 AromaticContact CE3-CE2 3.29Å; W371-W378 HydrophobicContact CE3-CE3 4.15Å; W371-W378 AromaticContact CE3-CG 3.9Å; W371-W378 HydrophobicContact CE3-CG 3.9Å; W371-W378 HydrophobicContact CE3-CH2 4.23Å; W371-W378 AromaticContact CE3-CZ2 3.64Å; W371-W378 HydrophobicContact CE3-CZ2 3.64Å; W371-W378 HydrophobicContact CE3-CZ3 4.46Å; W371-W378 AromaticContact CE3-NE1 3.48Å; W371-W378 AromaticContact CZ3-CD2 3.86Å; W371-W378 HydrophobicContact CZ3-CD2 3.86Å; W371-W378 AromaticContact CZ3-CE2 3.71Å; W371-W378 AromaticContact CZ3-CE3 3.96Å; W371-W378 HydrophobicContact CZ3-CE3 3.96Å; W371-W378 AromaticContact CZ3-CH2 3.78Å; W371-W378 HydrophobicContact CZ3-CH2 3.78Å; W371-W378 AromaticContact CZ3-CZ2 3.65Å; W371-W378 HydrophobicContact CZ3-CZ2 3.65Å; W371-W378 AromaticContact CZ3-CZ3 3.95Å; W371-W378 HydrophobicContact CZ3-CZ3 3.95Å; W378-N396 VanDerWaalsContact O-CA 3.3Å; W378-N396 WeakPolarHBondContact O-CA 3.41Å; W378-N396 WeakPolarHBondContact O-CB 3.38Å; W378-N396 PolarHBondContact O-ND2 2.68Å; W378-P399 HydrophobicContact CB-CG 4.02Å; W378-P399 HydrophobicContact CD2-CB 3.59Å; W378-P399 HydrophobicContact CD2-CG 3.59Å; W378-P399 HydrophobicContact CE3-CB 3.66Å; W378-P399 HydrophobicContact CE3-CG 3.79Å; W378-P399 HydrophobicContact CG-CB 4.18Å; W378-P399 HydrophobicContact CG-CG 3.7Å; W378-P399 HydrophobicContact CH2-CB 4.06Å; W378-P399 HydrophobicContact CZ2-CB 4Å; W378-P399 HydrophobicContact CZ3-CB 3.87Å; W378-P399 HydrophobicContact CZ3-CG 4.47Å; W378-L400 HydrophobicContact CH2-CD2 3.79Å; W378-L400 HydrophobicContact CH2-CG 4.43Å; W378-L400 HydrophobicContact CZ3-CD2 3.69Å; W378-L400 HydrophobicContact CZ3-CG 3.87Å; W378-Y405 AromaticContact CH2-CD1 4Å; W378-Y405 HydrophobicContact CH2-CD1 4Å; W378-Y405 HydrophobicContact CH2-CG 4.13Å; W378-Y405 HydrophobicContact CZ2-CD1 4.27Å; W378-Y405 HydrophobicContact CZ2-CG 4.13Å; W378-A410 HydrophobicContact CH2-CB 3.84Å; W378-A410 HydrophobicContact CZ2-CB 4.13Å; W378-V414 HydrophobicContact CE3-CG2 4.04Å; W378-V414 HydrophobicContact CH2-CG2 4.27Å; W378-V414 HydrophobicContact CZ3-CG2 3.52Å
379Y98.7Very high97.3Very high3 Ų347.4 Ų47.41%0.01222%0.222CC..  trans-108.6161.1174.2-68.4-60.5000112.5H370 N372 D375 I377 H388 V389 Y417H370-Y379 WeakPolarHBondContact CB-O 3.46Å; H370-Y379 PolarHBondContact ND1-O 2.94Å; H370-Y379 PolarHBondContact O-N 3.26Å; N372-Y379 HydrophobicContact CB-CD2 3.74Å; N372-Y379 HydrophobicContact CB-CE2 3.69Å; D375-Y379 HydrophobicContact CB-CE2 4.15Å; D375-Y379 WeakPolarHBondContact OD2-CE2 3.47Å; D375-Y379 PolarHBondContact OD2-OH 2.94Å; I377-Y379 HydrophobicContact CG2-CD2 4.5Å; I377-Y379 HydrophobicContact CG2-CE1 3.86Å; I377-Y379 HydrophobicContact CG2-CE2 3.81Å; I377-Y379 VanDerWaalsContact CG2-CZ 3.43Å; I377-Y379 WeakPolarHBondContact CG2-OH 3.31Å; Y379-H388 HydrophobicContact CD2-CB 3.89Å; Y379-H388 AromaticContact CD2-ND1 3.98Å; Y379-H388 HydrophobicContact CG-CB 4.15Å; Y379-V389 WeakPolarHBondContact CD1-O 3.33Å; Y379-Y417 WeakPolarHBondContact OH-CE2 3.47Å; Y379-Y417 PolarHBondContact OH-OH 3.13Å
380D98.7Very high97.1Very high0 Ų051.7 Ų51.70%025%0.245CC..  trans-63.2152.7157.7-63.6-31.9000109.9R303 I323 I324 P325 V326 V389R303-D380 WeakPolarHBondContact CG-OD2 3.45Å; R303-D380 IonicContact CZ-OD1 3.29Å; R303-D380 IonicContact CZ-OD2 3.22Å; R303-D380 IonicContact NE-OD1 3.31Å; R303-D380 IonicContact NE-OD2 3.69Å; R303-D380 PolarHBondContact NE-OD2 3.14Å; R303-D380 IonicContact NH2-OD1 2.99Å; R303-D380 PolarHBondContact NH2-OD1 2.92Å; R303-D380 IonicContact NH2-OD2 3.52Å; R303-D380 PolarHBondContact NH2-OD2 3.28Å; I323-D380 HydrophobicContact CG2-CB 3.62Å; I324-D380 WeakPolarHBondContact O-CA 3.31Å; P325-D380 WeakPolarHBondContact CA-OD1 3.42Å; V326-D380 WeakPolarHBondContact CG1-OD1 3.16Å; V326-D380 PolarHBondContact N-OD1 3.5Å; D380-V389 HydrophobicContact CB-CB 4.21Å; D380-V389 HydrophobicContact CB-CG2 4.19Å; D380-V389 PolarHBondContact O-N 2.99Å
381Y98.2Very high97Very high24 Ų2453 Ų539%0.09425%0.253CS..EExtended strand (participates in β ladder)trans-110126.6178.4-165.5-87.8000111.1Y243 I323 I324 I369 L383 Q386 H388Y243-Y381 HydrophobicContact CE1-CD1 4.25Å; Y243-Y381 AromaticContact CE1-CE1 3.67Å; Y243-Y381 HydrophobicContact CE1-CE1 3.67Å; Y243-Y381 AromaticContact CE1-CZ 3.92Å; Y243-Y381 HydrophobicContact CE2-CE1 4.25Å; Y243-Y381 AromaticContact CZ-CE1 3.41Å; Y243-Y381 VanDerWaalsContact CZ-CE1 3.41Å; Y243-Y381 AromaticContact CZ-CZ 3.87Å; Y243-Y381 WeakPolarHBondContact OH-CE1 3.49Å; Y243-Y381 VanDerWaalsContact OH-CZ 3.29Å; Y243-Y381 PolarHBondContact OH-OH 2.95Å; I323-Y381 WeakPolarHBondContact CA-O 3.18Å; I324-Y381 HydrophobicContact CD1-CD1 4.35Å; I324-Y381 PolarHBondContact N-O 3.21Å; I324-Y381 PolarHBondContact O-N 3.33Å; I369-Y381 HydrophobicContact CG2-CD2 4.08Å; I369-Y381 HydrophobicContact CG2-CG 3.88Å; I369-Y381 VanDerWaalsContact O-CD2 3.24Å; I369-Y381 WeakPolarHBondContact O-CD2 3.43Å; Y381-L383 HydrophobicContact CD1-CD2 4.42Å; Y381-Q386 PolarHBondContact OH-O 2.98Å; Y381-Q386 VanDerWaalsContact OH-O 3.04Å; Y381-H388 AromaticContact CD2-CD2 3.77Å
382D97.3Very high97Very high7 Ų752.3 Ų52.34%0.03725%0.251CS..EExtended strand (participates in β ladder)trans-86.4111.2178-175.5-9.4000110.5R319 E384 N385 Q386 R387 V389R319-D382 IonicContact CZ-OD1 3.91Å; R319-D382 IonicContact CZ-OD2 2.64Å; R319-D382 IonicContact NH1-OD1 3.33Å; R319-D382 PolarHBondContact NH1-OD1 3.27Å; R319-D382 IonicContact NH1-OD2 3Å; R319-D382 IonicContact NH2-OD1 3.68Å; R319-D382 PolarHBondContact NH2-OD1 3.28Å; R319-D382 IonicContact NH2-OD2 2.74Å; R319-D382 PolarHBondContact NH2-OD2 2.8Å; D382-E384 PolarHBondContact OD1-N 2.73Å; D382-N385 HydrophobicContact CB-CB 4.47Å; D382-N385 PolarHBondContact OD1-N 3.02Å; D382-N385 WeakPolarHBondContact OD2-CB 3.46Å; D382-N385 PolarHBondContact OD2-ND2 3.27Å; D382-Q386 WeakPolarHBondContact O-CA 3.38Å; D382-Q386 PolarHBondContact O-N 2.69Å; D382-R387 VanDerWaalsContact CB-O 3.28Å; D382-R387 WeakPolarHBondContact CB-O 3.23Å; D382-R387 PolarHBondContact N-O 3.26Å; D382-R387 PolarHBondContact O-N 2.6Å; D382-V389 HydrophobicContact CB-CG2 4.09Å
383L95.8Very high97Very high47 Ų4751.1 Ų51.125%0.24624%0.244CC..THydrogen-bonded Turntrans-71.3-31.1179.2-73.2175.9000113.7Y243 S322 I324 Y381Y243-L383 HydrophobicContact CD2-CD2 3.57Å; Y243-L383 HydrophobicContact CE2-CD2 3.57Å; Y243-L383 HydrophobicContact CG-CD2 4.41Å; S322-L383 WeakPolarHBondContact O-CB 3.46Å; S322-L383 PolarHBondContact O-N 2.63Å; I324-L383 HydrophobicContact CD1-CD1 4.4Å; I324-L383 HydrophobicContact CD1-CD2 3.59Å; I324-L383 HydrophobicContact CD1-CG 4.06Å; I324-L383 HydrophobicContact CG1-CD1 4.03Å; I324-L383 HydrophobicContact CG1-CD2 4.07Å; I324-L383 HydrophobicContact CG1-CG 3.94Å; Y381-L383 HydrophobicContact CD1-CD2 4.42Å
384E94.1Very high97.1Very high107 Ų10745.6 Ų45.650%0.522%0.218SC..THydrogen-bonded Turntrans-74-43.3-178.3-73.1173.7-176.700110.6R319 S322 D382R319-E384 IonicContact CZ-OE2 3.26Å; R319-E384 IonicContact NH1-OE1 3.43Å; R319-E384 IonicContact NH1-OE2 3.98Å; R319-E384 PolarHBondContact NH1-OE2 2.78Å; S322-E384 WeakPolarHBondContact CB-OE1 3.21Å; S322-E384 VanDerWaalsContact OG-CD 3.25Å; S322-E384 PolarHBondContact OG-OE1 2.73Å; D382-E384 PolarHBondContact OD1-N 2.73Å
385N94.3Very high97.2Very high88 Ų8837.3 Ų37.347%0.47118%0.18SC..THydrogen-bonded Turntrans-96.2-3.3-179.1-62-59.7000113.9D382 R387D382-N385 HydrophobicContact CB-CB 4.47Å; D382-N385 PolarHBondContact OD1-N 3.02Å; D382-N385 WeakPolarHBondContact OD2-CB 3.46Å; D382-N385 PolarHBondContact OD2-ND2 3.27Å; N385-R387 VanDerWaalsContact C-N 3.31Å; N385-R387 HydrophobicContact CB-CG 3.89Å; N385-R387 PolarHBondContact O-N 2.68Å
386Q94.6Very high97.2Very high137 Ų13734.5 Ų34.564%0.6416%0.164SC*.THydrogen-bonded Turntrans5243.8179.9-58.6-178.58.500113.8Y381 D382Y381-Q386 PolarHBondContact OH-O 2.98Å; Y381-Q386 VanDerWaalsContact OH-O 3.04Å; D382-Q386 WeakPolarHBondContact O-CA 3.38Å; D382-Q386 PolarHBondContact O-N 2.69Å
387R96Very high97.2Very high124 Ų12434.5 Ų34.547%0.46816%0.164SC..EExtended strand (participates in β ladder)trans-144.8166.6-177.963.6178.2-176142.32.4111.8D382 N385D382-R387 VanDerWaalsContact CB-O 3.28Å; D382-R387 WeakPolarHBondContact CB-O 3.23Å; D382-R387 PolarHBondContact N-O 3.26Å; D382-R387 PolarHBondContact O-N 2.6Å; N385-R387 VanDerWaalsContact C-N 3.31Å; N385-R387 HydrophobicContact CB-CG 3.89Å; N385-R387 PolarHBondContact O-N 2.68Å
388H97.8Very high97.2Very high39 Ų3934.5 Ų34.518%0.18117%0.165CC..EExtended strand (participates in β ladder)trans-62.5144167.9-67152.5000110.6I369 W371 N372 Y379 Y381 D390I369-H388 PolarHBondContact O-CD2 3.44Å; I369-H388 PolarHBondContact O-NE2 3.1Å; I369-H388 VanDerWaalsContact O-NE2 3.08Å; W371-H388 PolarHBondContact O-CE1 3.29Å; N372-H388 PolarHBondContact ND2-ND1 2.83Å; Y379-H388 HydrophobicContact CD2-CB 3.89Å; Y379-H388 AromaticContact CD2-ND1 3.98Å; Y379-H388 HydrophobicContact CG-CB 4.15Å; Y381-H388 AromaticContact CD2-CD2 3.77Å; H388-D390 VanDerWaalsContact C-N 3.27Å; H388-D390 PolarHBondContact O-N 2.81Å
389V97.7Very high97.2Very high11 Ų1134.3 Ų34.37%0.06716%0.164CC..  trans-78.887.1158-176.40000106.1H307 I323 Y379 D380 D382 V391 Y393H307-V389 VanDerWaalsContact CE1-CG1 3.43Å; H307-V389 WeakPolarHBondContact CE1-CG1 3.23Å; I323-V389 HydrophobicContact CD1-CG2 3.95Å; Y379-V389 WeakPolarHBondContact CD1-O 3.33Å; D380-V389 HydrophobicContact CB-CB 4.21Å; D380-V389 HydrophobicContact CB-CG2 4.19Å; D380-V389 PolarHBondContact O-N 2.99Å; D382-V389 HydrophobicContact CB-CG2 4.09Å; V389-V391 PolarHBondContact O-N 3.31Å; V389-Y393 HydrophobicContact CG1-CE2 4.5Å
390D95Very high97.1Very high91 Ų9134.2 Ų34.249%0.48716%0.163SC..  trans-76.550.1-171.552.5-11.8000112.8H388H388-D390 VanDerWaalsContact C-N 3.27Å; H388-D390 PolarHBondContact O-N 2.81Å
391V96Very high97.1Very high30 Ų3035.8 Ų35.818%0.18217%0.17CC..SBendtrans-128.3139.4-178.81770000109.4V389 Y393 N396 I435V389-V391 PolarHBondContact O-N 3.31Å; V391-Y393 HydrophobicContact CB-CD2 4.41Å; V391-Y393 HydrophobicContact CB-CE2 3.85Å; V391-Y393 HydrophobicContact CG1-CD2 4.28Å; V391-Y393 HydrophobicContact CG1-CE2 3.67Å; V391-Y393 PolarHBondContact O-N 2.77Å; V391-N396 PolarHBondContact O-OD1 3.32Å; V391-I435 HydrophobicContact CG1-CD1 3.63Å; V391-I435 HydrophobicContact CG1-CG1 4.34Å
392Y97.9Very high97.1Very high9 Ų934.8 Ų34.84%0.03517%0.166CC..  trans-64.8119.1173.3168.5-97.9000111.2Y417 L418 V421 A423 I430 P431 F434Y392-Y417 HydrophobicContact CD2-CE1 4.19Å; Y392-L418 HydrophobicContact CD2-CD2 3.98Å; Y392-L418 HydrophobicContact CE2-CD2 3.41Å; Y392-L418 VanDerWaalsContact CE2-CD2 3.41Å; Y392-V421 HydrophobicContact CD2-CG2 4.14Å; Y392-V421 HydrophobicContact CG-CG2 4.31Å; Y392-A423 HydrophobicContact CE2-CB 4.21Å; Y392-I430 VanDerWaalsContact OH-CG2 3.27Å; Y392-I430 WeakPolarHBondContact OH-CG2 3.5Å; Y392-P431 WeakPolarHBondContact CE1-O 3.34Å; Y392-P431 PolarHBondContact OH-O 3.47Å; Y392-F434 AromaticContact CD1-CD2 3.3Å; Y392-F434 HydrophobicContact CD1-CD2 3.3Å; Y392-F434 AromaticContact CD1-CE2 3.33Å; Y392-F434 HydrophobicContact CD1-CE2 3.33Å; Y392-F434 HydrophobicContact CD1-CG 4.17Å; Y392-F434 HydrophobicContact CD1-CZ 4.24Å; Y392-F434 HydrophobicContact CE1-CD2 4.01Å; Y392-F434 AromaticContact CE1-CE2 3.73Å; Y392-F434 HydrophobicContact CE1-CE2 3.73Å; Y392-F434 HydrophobicContact CE1-CZ 4.21Å; Y392-F434 AromaticContact CG-CD2 3.92Å; Y392-F434 HydrophobicContact CG-CD2 3.92Å; Y392-F434 AromaticContact CG-CE2 3.82Å; Y392-F434 HydrophobicContact CG-CE2 3.82Å
393Y98.5Very high97Very high1 Ų137.1 Ų37.10%0.00418%0.179CC..BIsolated β-bridgetrans-126.4142.8157.3-65.6-79.9000108.2W298 S302 R303 H307 V389 V391 S395 N396 T432 S433 I435W298-Y393 HydrophobicContact CZ3-CD1 4.19Å; S302-Y393 PolarHBondContact O-OH 3.25Å; S302-Y393 WeakPolarHBondContact OG-CE1 3.44Å; S302-Y393 PolarHBondContact OG-OH 2.63Å; R303-Y393 VanDerWaalsContact CA-OH 3.31Å; R303-Y393 WeakPolarHBondContact CA-OH 3.48Å; R303-Y393 HydrophobicContact CB-CD1 3.88Å; R303-Y393 HydrophobicContact CB-CD2 4.31Å; R303-Y393 HydrophobicContact CB-CE1 3.6Å; R303-Y393 HydrophobicContact CB-CE2 4.03Å; R303-Y393 HydrophobicContact CB-CG 4.24Å; R303-Y393 HydrophobicContact CG-CD1 4.25Å; R303-Y393 HydrophobicContact CG-CD2 4.02Å; R303-Y393 HydrophobicContact CG-CE1 4.33Å; R303-Y393 HydrophobicContact CG-CE2 4.08Å; R303-Y393 HydrophobicContact CG-CG 4.11Å; R303-Y393 PolarHBondContact N-OH 3.31Å; H307-Y393 PolarHBondContact NE2-OH 2.98Å; V389-Y393 HydrophobicContact CG1-CE2 4.5Å; V391-Y393 HydrophobicContact CB-CD2 4.41Å; V391-Y393 HydrophobicContact CB-CE2 3.85Å; V391-Y393 HydrophobicContact CG1-CD2 4.28Å; V391-Y393 HydrophobicContact CG1-CE2 3.67Å; V391-Y393 PolarHBondContact O-N 2.77Å; Y393-S395 WeakPolarHBondContact CB-OG 3.26Å; Y393-S395 PolarHBondContact O-N 2.72Å; Y393-N396 PolarHBondContact N-OD1 2.95Å; Y393-N396 WeakPolarHBondContact O-CB 3.31Å; Y393-N396 PolarHBondContact O-N 2.94Å; Y393-N396 PolarHBondContact O-OD1 3.36Å; Y393-T432 CarbonylContact C-O 3.48Å; Y393-T432 WeakPolarHBondContact CA-O 3.44Å; Y393-S433 VanDerWaalsContact CD1-CB 3.48Å; Y393-S433 VanDerWaalsContact CE1-CB 3.48Å; Y393-I435 VanDerWaalsContact OH-CD1 3.28Å; Y393-I435 WeakPolarHBondContact OH-CD1 3.47Å
394I98.2Very high97.1Very high1 Ų134.9 Ų34.91%0.00517%0.167CC..G310 helixtrans-58.5-19.8177.4-169.3164.4000112W298 N396 V397 I430 T432 M450 L454W298-I394 HydrophobicContact CH2-CG2 3.62Å; W298-I394 HydrophobicContact CZ2-CG2 4.02Å; I394-N396 PolarHBondContact O-N 3.04Å; I394-V397 WeakPolarHBondContact O-CG2 3.14Å; I394-V397 PolarHBondContact O-N 3.09Å; I394-I430 HydrophobicContact CD1-CB 4.1Å; I394-I430 HydrophobicContact CD1-CG2 3.73Å; I394-T432 HydrophobicContact CG2-CG2 4.19Å; I394-T432 PolarHBondContact N-O 2.94Å; I394-M450 HydrophobicContact CB-CB 4.48Å; I394-M450 HydrophobicContact CD1-CB 3.8Å; I394-M450 HydrophobicContact CG1-CB 4.08Å; I394-M450 HydrophobicContact CG1-CE 4.43Å; I394-M450 HydrophobicContact CG2-CB 3.6Å; I394-M450 HydrophobicContact CG2-CE 3.86Å; I394-M450 HydrophobicContact CG2-CG 3.79Å; I394-L454 HydrophobicContact CD1-CD2 4.42Å
395S98.4Very high97.2Very high0 Ų031.2 Ų31.20%015%0.149CC..G310 helixtrans-62.8-22.9172.756.60000114.5R303 V326 Y393 V397 L398R303-S395 PolarHBondContact NE-OG 3.38Å; R303-S395 PolarHBondContact NH1-OG 2.81Å; V326-S395 WeakPolarHBondContact CG1-O 3.37Å; Y393-S395 WeakPolarHBondContact CB-OG 3.26Å; Y393-S395 PolarHBondContact O-N 2.72Å; S395-V397 PolarHBondContact O-N 3.28Å; S395-L398 WeakPolarHBondContact O-CD2 3.17Å; S395-L398 PolarHBondContact O-N 3.04Å; S395-L398 VanDerWaalsContact O-N 3.09Å
396N98.6Very high97.2Very high0 Ų031.3 Ų31.30%015%0.149CC..G310 helixtrans-58.1-21178.1-64.1150.6000113.4I377 W378 V391 Y393 I394I377-N396 HydrophobicContact CD1-CB 3.74Å; I377-N396 HydrophobicContact CG1-CB 3.9Å; W378-N396 VanDerWaalsContact O-CA 3.3Å; W378-N396 WeakPolarHBondContact O-CA 3.41Å; W378-N396 WeakPolarHBondContact O-CB 3.38Å; W378-N396 PolarHBondContact O-ND2 2.68Å; V391-N396 PolarHBondContact O-OD1 3.32Å; Y393-N396 PolarHBondContact N-OD1 2.95Å; Y393-N396 WeakPolarHBondContact O-CB 3.31Å; Y393-N396 PolarHBondContact O-N 2.94Å; Y393-N396 PolarHBondContact O-OD1 3.36Å; I394-N396 PolarHBondContact O-N 3.04Å
397V98.1Very high97.3Very high1 Ų127 Ų271%0.00613%0.131CC..G310 helixtrans-90.5-8.1-177.7-44.80000113.5I377 I394 S395 P399 L400 V414 L418 L454I377-V397 HydrophobicContact CD1-CG1 4.48Å; I394-V397 WeakPolarHBondContact O-CG2 3.14Å; I394-V397 PolarHBondContact O-N 3.09Å; S395-V397 PolarHBondContact O-N 3.28Å; V397-P399 VanDerWaalsContact C-N 3.28Å; V397-L400 VanDerWaalsContact O-CB 3.24Å; V397-L400 WeakPolarHBondContact O-CB 3.44Å; V397-L400 PolarHBondContact O-N 3.26Å; V397-V414 HydrophobicContact CG1-CG1 4.1Å; V397-L418 HydrophobicContact CG1-CD1 3.88Å; V397-L418 HydrophobicContact CG1-CD2 4.1Å; V397-L418 HydrophobicContact CG1-CG 4.45Å; V397-L454 HydrophobicContact CB-CD1 3.97Å; V397-L454 HydrophobicContact CG1-CD1 4.01Å; V397-L454 HydrophobicContact CG2-CB 3.95Å; V397-L454 HydrophobicContact CG2-CD1 3.78Å; V397-L454 HydrophobicContact CG2-CG 4.35Å
398L98.4Very high97.2Very high1 Ų129.6 Ų29.61%0.00515%0.148CC..Hα-helixtrans-56.8-31.2-176.2-88-34.2000115.2D327 A330 F331 S395 L400 Y401 A402 M450 M453D327-L398 HydrophobicContact CB-CB 4.28Å; D327-L398 HydrophobicContact CB-CD2 3.69Å; D327-L398 HydrophobicContact CB-CG 3.9Å; A330-L398 HydrophobicContact CB-CB 3.87Å; F331-L398 HydrophobicContact CE1-CD1 4.35Å; F331-L398 HydrophobicContact CE1-CG 4.49Å; F331-L398 HydrophobicContact CZ-CD1 4.25Å; F331-L398 HydrophobicContact CZ-CG 4.18Å; S395-L398 WeakPolarHBondContact O-CD2 3.17Å; S395-L398 PolarHBondContact O-N 3.04Å; S395-L398 VanDerWaalsContact O-N 3.09Å; L398-L400 PolarHBondContact O-N 2.7Å; L398-Y401 HydrophobicContact CD1-CD1 4.45Å; L398-Y401 WeakPolarHBondContact O-CB 3.37Å; L398-Y401 PolarHBondContact O-N 2.98Å; L398-Y401 VanDerWaalsContact O-N 3.11Å; L398-A402 WeakPolarHBondContact O-CB 3.39Å; L398-A402 PolarHBondContact O-N 2.82Å; L398-M450 HydrophobicContact CD1-CE 4.39Å; L398-M450 HydrophobicContact CD2-CE 3.35Å; L398-M453 HydrophobicContact CD1-CB 3.71Å; L398-M453 HydrophobicContact CD1-CG 4.07Å; L398-M453 HydrophobicContact CD1-SD 3.37Å; L398-M453 WeakPolarHBondContact CD1-SD 3.43Å
399P98.6Very high97.1Very high0 Ų032.7 Ų32.70%017%0.166CC..Hα-helixtrans-60-26.5173.3-27.337.9000113.5V326 A330 M366 W378 V397 N403 C404 Y405V326-P399 HydrophobicContact CG2-CG 3.61Å; A330-P399 HydrophobicContact CB-CG 4.17Å; M366-P399 HydrophobicContact CE-CG 4.03Å; M366-P399 HydrophobicContact CG-CB 4.09Å; M366-P399 HydrophobicContact CG-CG 4.16Å; M366-P399 HydrophobicContact SD-CB 4.14Å; M366-P399 HydrophobicContact SD-CG 3.54Å; M366-P399 VanDerWaalsContact SD-CG 3.54Å; W378-P399 HydrophobicContact CB-CG 4.02Å; W378-P399 HydrophobicContact CD2-CB 3.59Å; W378-P399 HydrophobicContact CD2-CG 3.59Å; W378-P399 HydrophobicContact CE3-CB 3.66Å; W378-P399 HydrophobicContact CE3-CG 3.79Å; W378-P399 HydrophobicContact CG-CB 4.18Å; W378-P399 HydrophobicContact CG-CG 3.7Å; W378-P399 HydrophobicContact CH2-CB 4.06Å; W378-P399 HydrophobicContact CZ2-CB 4Å; W378-P399 HydrophobicContact CZ3-CB 3.87Å; W378-P399 HydrophobicContact CZ3-CG 4.47Å; V397-P399 VanDerWaalsContact C-N 3.28Å; P399-N403 PolarHBondContact O-N 3.01Å; P399-C404 PolarHBondContact O-N 3.1Å; P399-Y405 WeakPolarHBondContact O-CD1 3.21Å
400L97.5Very high97Very high1 Ų132.2 Ų32.21%0.00516%0.163CC..Hα-helixtrans-63.9-52.1170.4-63.6-175.8000111.3W378 V397 L398 A402 N403 Y405 P411 V414 F458W378-L400 HydrophobicContact CH2-CD2 3.79Å; W378-L400 HydrophobicContact CH2-CG 4.43Å; W378-L400 HydrophobicContact CZ3-CD2 3.69Å; W378-L400 HydrophobicContact CZ3-CG 3.87Å; V397-L400 VanDerWaalsContact O-CB 3.24Å; V397-L400 WeakPolarHBondContact O-CB 3.44Å; V397-L400 PolarHBondContact O-N 3.26Å; L398-L400 PolarHBondContact O-N 2.7Å; L400-A402 VanDerWaalsContact C-N 3.33Å; L400-A402 PolarHBondContact O-N 2.87Å; L400-N403 PolarHBondContact O-N 3.45Å; L400-Y405 HydrophobicContact CD2-CD1 4.46Å; L400-Y405 HydrophobicContact CD2-CE1 3.9Å; L400-P411 HydrophobicContact CD2-CB 4.05Å; L400-P411 HydrophobicContact CD2-CG 3.93Å; L400-V414 HydrophobicContact CD1-CB 3.94Å; L400-V414 HydrophobicContact CD1-CG1 3.63Å; L400-V414 HydrophobicContact CD1-CG2 4.32Å; L400-V414 HydrophobicContact CD2-CG2 4.37Å; L400-V414 HydrophobicContact CG-CG1 4.44Å; L400-V414 HydrophobicContact CG-CG2 4.46Å; L400-F458 HydrophobicContact CD1-CD1 3.91Å; L400-F458 HydrophobicContact CD1-CE1 3.66Å
401Y98Very high97.2Very high33 Ų3328 Ų2813%0.12914%0.141CC..Hα-helixtrans-58.5-44.3177.4172.8-100.2000112.1F155 L334 L398 N403 M453 E456F155-Y401 WeakPolarHBondContact CE1-OH 3.48Å; F155-Y401 WeakPolarHBondContact CZ-OH 3.42Å; L334-Y401 HydrophobicContact CD2-CD1 4.43Å; L334-Y401 HydrophobicContact CD2-CE1 3.76Å; L398-Y401 HydrophobicContact CD1-CD1 4.45Å; L398-Y401 WeakPolarHBondContact O-CB 3.37Å; L398-Y401 PolarHBondContact O-N 2.98Å; L398-Y401 VanDerWaalsContact O-N 3.11Å; Y401-N403 PolarHBondContact O-N 3.28Å; Y401-M453 HydrophobicContact CD1-CE 4.38Å; Y401-M453 HydrophobicContact CD1-CG 4.22Å; Y401-M453 HydrophobicContact CD1-SD 4.41Å; Y401-M453 HydrophobicContact CD2-CB 4.15Å; Y401-M453 HydrophobicContact CD2-CG 4.08Å; Y401-M453 HydrophobicContact CE1-CE 3.94Å; Y401-M453 HydrophobicContact CE1-CG 4.37Å; Y401-M453 HydrophobicContact CE2-CG 4.23Å; Y401-M453 HydrophobicContact CG-CB 4.08Å; Y401-M453 HydrophobicContact CG-CG 4.07Å; Y401-E456 HydrophobicContact CD2-CB 3.81Å; Y401-E456 HydrophobicContact CE2-CB 3.99Å
402A97.9Very high97.3Very high2 Ų228.2 Ų28.22%0.01714%0.143CC..Hα-helixtrans-70.7-13.9178.600000113.4A330 L334 L398 L400 C404A330-A402 HydrophobicContact CB-CB 3.98Å; A330-A402 VanDerWaalsContact O-CB 3.3Å; A330-A402 WeakPolarHBondContact O-CB 3.37Å; L334-A402 HydrophobicContact CB-CB 3.96Å; L398-A402 WeakPolarHBondContact O-CB 3.39Å; L398-A402 PolarHBondContact O-N 2.82Å; L400-A402 VanDerWaalsContact C-N 3.33Å; L400-A402 PolarHBondContact O-N 2.87Å; A402-C404 HydrophobicContact CB-CB 4.02Å; A402-C404 PolarHBondContact O-N 3.31Å
403N96.4Very high97.3Very high57 Ų5730.4 Ų30.431%0.30515%0.152SC..THydrogen-bonded Turntrans48.648.5-167.9-165.35.3000111.4P399 L400 Y401P399-N403 PolarHBondContact O-N 3.01Å; L400-N403 PolarHBondContact O-N 3.45Å; Y401-N403 PolarHBondContact O-N 3.28Å
404C96.7Very high97.3Very high0 Ų030.3 Ų30.30%015%0.151CC..  trans-103.252-175.6-168.90000111.6C333 P399 A402C333-C404 HydrophobicContact CB-CB 3.76Å; C333-C404 WeakPolarHBondContact CB-SG 3.42Å; C333-C404 WeakPolarHBondContact SG-CB 3.47Å; C333-C404 CovalentContact SG-SG 2.02Å; C333-C404 PolarHBondContact SG-SG 3.17Å; P399-C404 PolarHBondContact O-N 3.1Å; A402-C404 HydrophobicContact CB-CB 4.02Å; A402-C404 PolarHBondContact O-N 3.31Å
405Y96.5Very high97.3Very high29 Ų2932.8 Ų32.811%0.11416%0.162CC..  trans-152158.1179.157.6-84.6000110.1W378 P399 L400 D407 A410 P411W378-Y405 AromaticContact CH2-CD1 4Å; W378-Y405 HydrophobicContact CH2-CD1 4Å; W378-Y405 HydrophobicContact CH2-CG 4.13Å; W378-Y405 HydrophobicContact CZ2-CD1 4.27Å; W378-Y405 HydrophobicContact CZ2-CG 4.13Å; P399-Y405 WeakPolarHBondContact O-CD1 3.21Å; L400-Y405 HydrophobicContact CD2-CD1 4.46Å; L400-Y405 HydrophobicContact CD2-CE1 3.9Å; Y405-D407 VanDerWaalsContact CD2-O 3.31Å; Y405-D407 WeakPolarHBondContact CD2-O 3.31Å; Y405-A410 HydrophobicContact CD2-CB 3.93Å; Y405-A410 HydrophobicContact CE2-CB 4.41Å; Y405-A410 HydrophobicContact CG-CB 4.35Å; Y405-P411 HydrophobicContact CE2-CG 3.65Å; Y405-P411 VanDerWaalsContact OH-CG 3.26Å; Y405-P411 WeakPolarHBondContact OH-CG 3.42Å
406D95.1Very high97.2Very high91 Ų9138.9 Ų38.949%0.48719%0.191SC..  trans-111.9-16.3177.5-73.1-42.8000112.8K363 E408K363-D406 WeakPolarHBondContact CE-OD1 3.45Å; K363-D406 IonicContact NZ-OD1 2.64Å; K363-D406 PolarHBondContact NZ-OD1 3.28Å; K363-D406 IonicContact NZ-OD2 3.75Å; D406-E408 PolarHBondContact O-N 3.09Å
407D95.3Very high97.2Very high47 Ų4740.1 Ų40.125%0.25120%0.196SC..  trans-82.2111.6179.3-177.5-0.4000110.2Y405 N409 A410Y405-D407 VanDerWaalsContact CD2-O 3.31Å; Y405-D407 WeakPolarHBondContact CD2-O 3.31Å; D407-N409 PolarHBondContact O-N 2.68Å; D407-N409 VanDerWaalsContact O-N 3.14Å; D407-N409 WeakPolarHBondContact OD1-CB 3.35Å; D407-N409 PolarHBondContact OD1-N 2.85Å; D407-N409 PolarHBondContact OD1-ND2 2.86Å; D407-N409 VanDerWaalsContact OD1-ND2 3.15Å; D407-A410 HydrophobicContact CB-CB 4.32Å; D407-A410 VanDerWaalsContact O-CB 3.27Å; D407-A410 WeakPolarHBondContact O-CB 3.42Å; D407-A410 PolarHBondContact O-N 2.75Å
408E93.9Very high97.2Very high177 Ų17740.1 Ų40.183%0.82720%0.195SC*.THydrogen-bonded Turntrans-60.4-20.9179.4-63.5-177.9173.700113.1D406 P411D406-E408 PolarHBondContact O-N 3.09Å; E408-P411 WeakPolarHBondContact O-CD 3.09Å
409N95.9Very high97.2Very high104 Ų10446.7 Ų46.756%0.55622%0.224SC*.THydrogen-bonded Turntrans-85.5-12.2177.1-55.4-72.1000113.3D407 P411 S412 R413D407-N409 PolarHBondContact O-N 2.68Å; D407-N409 VanDerWaalsContact O-N 3.14Å; D407-N409 WeakPolarHBondContact OD1-CB 3.35Å; D407-N409 PolarHBondContact OD1-N 2.85Å; D407-N409 PolarHBondContact OD1-ND2 2.86Å; D407-N409 VanDerWaalsContact OD1-ND2 3.15Å; N409-P411 VanDerWaalsContact C-CD 3.48Å; N409-S412 PolarHBondContact O-N 3.12Å; N409-R413 WeakPolarHBondContact O-CG 3.44Å; N409-R413 PolarHBondContact O-N 3.14Å
410A97.4Very high97.2Very high1 Ų150.9 Ų50.91%0.00826%0.258CS..Hα-helixtrans-56-43.4-175.700000113.1W371 W378 Y405 D407 S412 R413 V414W371-A410 HydrophobicContact CH2-CB 3.85Å; W371-A410 HydrophobicContact CZ2-CB 4.49Å; W371-A410 HydrophobicContact CZ3-CB 4.18Å; W378-A410 HydrophobicContact CH2-CB 3.84Å; W378-A410 HydrophobicContact CZ2-CB 4.13Å; Y405-A410 HydrophobicContact CD2-CB 3.93Å; Y405-A410 HydrophobicContact CE2-CB 4.41Å; Y405-A410 HydrophobicContact CG-CB 4.35Å; D407-A410 HydrophobicContact CB-CB 4.32Å; D407-A410 VanDerWaalsContact O-CB 3.27Å; D407-A410 WeakPolarHBondContact O-CB 3.42Å; D407-A410 PolarHBondContact O-N 2.75Å; A410-S412 PolarHBondContact O-N 2.95Å; A410-R413 PolarHBondContact O-N 2.94Å; A410-V414 VanDerWaalsContact O-CG2 3.24Å; A410-V414 WeakPolarHBondContact O-CG2 3.4Å; A410-V414 PolarHBondContact O-N 3.47Å
411P97.8Very high97.1Very high4 Ų453.1 Ų53.13%0.02627%0.272CS..Hα-helixtrans-57.5-46.8176.8-26.437.6000113.6L400 Y405 E408 N409 R413 V414 F415 L466L400-P411 HydrophobicContact CD2-CB 4.05Å; L400-P411 HydrophobicContact CD2-CG 3.93Å; Y405-P411 HydrophobicContact CE2-CG 3.65Å; Y405-P411 VanDerWaalsContact OH-CG 3.26Å; Y405-P411 WeakPolarHBondContact OH-CG 3.42Å; E408-P411 WeakPolarHBondContact O-CD 3.09Å; N409-P411 VanDerWaalsContact C-CD 3.48Å; P411-R413 VanDerWaalsContact C-N 3.32Å; P411-R413 PolarHBondContact O-N 3.28Å; P411-V414 PolarHBondContact O-N 3.27Å; P411-F415 PolarHBondContact O-N 3.02Å; P411-L466 VanDerWaalsContact C-CD1 3.46Å; P411-L466 HydrophobicContact CB-CD1 3.25Å
412S97.6Very high97Very high33 Ų3351.9 Ų51.923%0.23127%0.27CS..Hα-helixtrans-69.3-33.5-177.7-36.40000111.1N409 A410 F415 Q416 D463N409-S412 PolarHBondContact O-N 3.12Å; A410-S412 PolarHBondContact O-N 2.95Å; S412-F415 PolarHBondContact O-N 3.32Å; S412-Q416 VanDerWaalsContact O-CG 3.3Å; S412-Q416 WeakPolarHBondContact O-CG 3.45Å; S412-Q416 PolarHBondContact O-N 3.31Å; S412-D463 PolarHBondContact OG-OD2 3.33Å
413R98.1Very high97Very high55 Ų5551.8 Ų51.821%0.20827%0.269CS..Hα-helixtrans-66.8-44.1173.5-69.1-177.868.3173.55.5112.4W371 E373 G376 N409 A410 P411 F415 Q416 Y417W371-R413 HydrophobicContact CH2-CB 4.23Å; E373-R413 PolarHBondContact O-NH2 3.22Å; E373-R413 IonicContact OE1-CZ 3.68Å; E373-R413 IonicContact OE1-NH1 3.71Å; E373-R413 PolarHBondContact OE1-NH1 3.32Å; E373-R413 IonicContact OE1-NH2 2.79Å; E373-R413 IonicContact OE2-NH1 2.7Å; G376-R413 CarbonylContact O-C 3.59Å; N409-R413 WeakPolarHBondContact O-CG 3.44Å; N409-R413 PolarHBondContact O-N 3.14Å; A410-R413 PolarHBondContact O-N 2.94Å; P411-R413 VanDerWaalsContact C-N 3.32Å; P411-R413 PolarHBondContact O-N 3.28Å; R413-F415 VanDerWaalsContact C-N 3.31Å; R413-F415 PolarHBondContact O-N 3.44Å; R413-Q416 WeakPolarHBondContact O-CB 3.36Å; R413-Q416 PolarHBondContact O-N 3.32Å; R413-Q416 VanDerWaalsContact O-N 3.15Å; R413-Y417 PolarHBondContact O-N 2.84Å
414V98.3Very high96.9Very high0 Ų051.1 Ų51.10%026%0.263CS..Hα-helixtrans-61.6-42.6175.2172.90000110.5W371 G376 I377 W378 V397 L400 A410 P411 Q416 Y417 L418W371-V414 HydrophobicContact CH2-CG2 4.4Å; W371-V414 HydrophobicContact CZ3-CG2 4.05Å; G376-V414 WeakPolarHBondContact O-CA 3.39Å; G376-V414 WeakPolarHBondContact O-CG2 3.45Å; G376-V414 PolarHBondContact O-N 2.91Å; I377-V414 HydrophobicContact CD1-CG1 4.07Å; I377-V414 HydrophobicContact CG1-CG1 4.33Å; I377-V414 HydrophobicContact CG1-CG2 4.3Å; W378-V414 HydrophobicContact CE3-CG2 4.04Å; W378-V414 HydrophobicContact CH2-CG2 4.27Å; W378-V414 HydrophobicContact CZ3-CG2 3.52Å; V397-V414 HydrophobicContact CG1-CG1 4.1Å; L400-V414 HydrophobicContact CD1-CB 3.94Å; L400-V414 HydrophobicContact CD1-CG1 3.63Å; L400-V414 HydrophobicContact CD1-CG2 4.32Å; L400-V414 HydrophobicContact CD2-CG2 4.37Å; L400-V414 HydrophobicContact CG-CG1 4.44Å; L400-V414 HydrophobicContact CG-CG2 4.46Å; A410-V414 VanDerWaalsContact O-CG2 3.24Å; A410-V414 WeakPolarHBondContact O-CG2 3.4Å; A410-V414 PolarHBondContact O-N 3.47Å; P411-V414 PolarHBondContact O-N 3.27Å; V414-Q416 VanDerWaalsContact C-N 3.33Å; V414-Q416 PolarHBondContact O-N 2.91Å; V414-Y417 WeakPolarHBondContact O-CB 3.43Å; V414-Y417 PolarHBondContact O-N 3.42Å; V414-L418 HydrophobicContact CG1-CD1 4.07Å; V414-L418 HydrophobicContact CG1-CG 4.31Å; V414-L418 VanDerWaalsContact O-CG 3.28Å; V414-L418 WeakPolarHBondContact O-CG 3.25Å; V414-L418 PolarHBondContact O-N 2.97Å
415F98.1Very high96.7Very high52 Ų5257.5 Ų57.523%0.22830%0.297CS..Hα-helixtrans-59.5-43.1174.6177.1-93.6000112.5P411 S412 R413 L418 K419 F424 F458 L466 S469P411-F415 PolarHBondContact O-N 3.02Å; S412-F415 PolarHBondContact O-N 3.32Å; R413-F415 VanDerWaalsContact C-N 3.31Å; R413-F415 PolarHBondContact O-N 3.44Å; F415-L418 PolarHBondContact O-N 3.34Å; F415-K419 WeakPolarHBondContact O-CB 3.36Å; F415-K419 PolarHBondContact O-N 3.29Å; F415-F424 AromaticContact CD2-CE2 3.76Å; F415-F424 HydrophobicContact CD2-CE2 3.76Å; F415-F424 AromaticContact CD2-CZ 3.99Å; F415-F424 HydrophobicContact CD2-CZ 3.99Å; F415-F424 HydrophobicContact CE2-CD2 4.39Å; F415-F424 AromaticContact CE2-CE2 3.65Å; F415-F424 HydrophobicContact CE2-CE2 3.65Å; F415-F424 HydrophobicContact CE2-CZ 4.11Å; F415-F424 HydrophobicContact CG-CE2 4.5Å; F415-F424 HydrophobicContact CZ-CE2 4.31Å; F415-F458 HydrophobicContact CB-CE1 4.18Å; F415-F458 HydrophobicContact CB-CZ 4Å; F415-F458 AromaticContact CD2-CE2 3.87Å; F415-F458 HydrophobicContact CD2-CE2 3.87Å; F415-F458 AromaticContact CD2-CZ 3.76Å; F415-F458 HydrophobicContact CD2-CZ 3.76Å; F415-F458 HydrophobicContact CG-CZ 4.39Å; F415-L466 HydrophobicContact CB-CD2 3.43Å; F415-L466 VanDerWaalsContact CB-CD2 3.43Å; F415-L466 HydrophobicContact CD1-CD2 4.18Å; F415-L466 HydrophobicContact CD2-CD2 3.63Å; F415-L466 HydrophobicContact CE2-CD2 4.44Å; F415-L466 HydrophobicContact CG-CD2 3.47Å; F415-L466 VanDerWaalsContact CG-CD2 3.47Å; F415-S469 WeakPolarHBondContact CE2-OG 3.31Å
416Q98.2Very high96.4Very high128 Ų12856.9 Ų56.960%0.59830%0.297SS*.Hα-helixtrans-62.4-43.5175.6-72.4172.117.800111.8S412 R413 V414 K419 A420S412-Q416 VanDerWaalsContact O-CG 3.3Å; S412-Q416 WeakPolarHBondContact O-CG 3.45Å; S412-Q416 PolarHBondContact O-N 3.31Å; R413-Q416 WeakPolarHBondContact O-CB 3.36Å; R413-Q416 PolarHBondContact O-N 3.32Å; R413-Q416 VanDerWaalsContact O-N 3.15Å; V414-Q416 VanDerWaalsContact C-N 3.33Å; V414-Q416 PolarHBondContact O-N 2.91Å; Q416-K419 PolarHBondContact O-N 2.84Å; Q416-A420 WeakPolarHBondContact O-CB 3.37Å; Q416-A420 PolarHBondContact O-N 3.23Å
417Y98.4Very high95.9Very high27 Ų2756 Ų5611%0.10630%0.299CS..Hα-helixtrans-58.1-52.4174.4177.6-90.1000111.5D375 I377 Y379 Y392 R413 V414 K419 A420 V421D375-Y417 HydrophobicContact CB-CD2 3.88Å; D375-Y417 HydrophobicContact CB-CE2 3.86Å; D375-Y417 WeakPolarHBondContact O-CD2 3.37Å; I377-Y417 HydrophobicContact CB-CD1 4.05Å; I377-Y417 HydrophobicContact CB-CD2 4.4Å; I377-Y417 HydrophobicContact CB-CE1 4.46Å; I377-Y417 HydrophobicContact CB-CG 4Å; I377-Y417 HydrophobicContact CD1-CD1 3.29Å; I377-Y417 HydrophobicContact CD1-CE1 3.64Å; I377-Y417 HydrophobicContact CD1-CG 4.07Å; I377-Y417 HydrophobicContact CG1-CD1 4.24Å; I377-Y417 HydrophobicContact CG2-CD1 3.97Å; I377-Y417 HydrophobicContact CG2-CD2 3.92Å; I377-Y417 HydrophobicContact CG2-CE1 3.93Å; I377-Y417 HydrophobicContact CG2-CE2 3.9Å; I377-Y417 HydrophobicContact CG2-CG 3.95Å; Y379-Y417 WeakPolarHBondContact OH-CE2 3.47Å; Y379-Y417 PolarHBondContact OH-OH 3.13Å; Y392-Y417 HydrophobicContact CD2-CE1 4.19Å; R413-Y417 PolarHBondContact O-N 2.84Å; V414-Y417 WeakPolarHBondContact O-CB 3.43Å; V414-Y417 PolarHBondContact O-N 3.42Å; Y417-K419 VanDerWaalsContact C-N 3.26Å; Y417-K419 PolarHBondContact O-N 3.35Å; Y417-A420 WeakPolarHBondContact O-CA 3.31Å; Y417-A420 WeakPolarHBondContact O-CB 3.44Å; Y417-A420 PolarHBondContact O-N 3.1Å; Y417-V421 HydrophobicContact CD1-CG1 4.27Å; Y417-V421 HydrophobicContact CD1-CG2 4.33Å; Y417-V421 HydrophobicContact CD2-CG1 4.4Å; Y417-V421 HydrophobicContact CE1-CG1 3.74Å; Y417-V421 HydrophobicContact CE1-CG2 4.06Å; Y417-V421 HydrophobicContact CE2-CG1 3.88Å; Y417-V421 WeakPolarHBondContact O-CG2 3.43Å; Y417-V421 PolarHBondContact O-N 3.27Å
418L98.1Very high95.6Very high0 Ų055.2 Ų55.20%029%0.292CS..Hα-helixtrans-58.6-39.1-179.8-69.3177.5000112.2I377 Y392 V397 V414 F415 V421 G422 A423 F424 L454 F458I377-L418 HydrophobicContact CD1-CD2 4.33Å; Y392-L418 HydrophobicContact CD2-CD2 3.98Å; Y392-L418 HydrophobicContact CE2-CD2 3.41Å; Y392-L418 VanDerWaalsContact CE2-CD2 3.41Å; V397-L418 HydrophobicContact CG1-CD1 3.88Å; V397-L418 HydrophobicContact CG1-CD2 4.1Å; V397-L418 HydrophobicContact CG1-CG 4.45Å; V414-L418 HydrophobicContact CG1-CD1 4.07Å; V414-L418 HydrophobicContact CG1-CG 4.31Å; V414-L418 VanDerWaalsContact O-CG 3.28Å; V414-L418 WeakPolarHBondContact O-CG 3.25Å; V414-L418 PolarHBondContact O-N 2.97Å; F415-L418 PolarHBondContact O-N 3.34Å; L418-V421 WeakPolarHBondContact O-CG2 2.9Å; L418-G422 PolarHBondContact O-N 3.01Å; L418-A423 HydrophobicContact CB-CB 4.07Å; L418-A423 HydrophobicContact CD2-CB 4.03Å; L418-A423 VanDerWaalsContact O-CB 3.31Å; L418-A423 WeakPolarHBondContact O-CB 3.39Å; L418-A423 PolarHBondContact O-N 3.18Å; L418-F424 HydrophobicContact CB-CE1 4.25Å; L418-F424 HydrophobicContact CB-CE2 3.69Å; L418-F424 HydrophobicContact CB-CZ 3.52Å; L418-F424 HydrophobicContact CD1-CE1 4.32Å; L418-F424 HydrophobicContact CD1-CZ 3.81Å; L418-F424 HydrophobicContact CG-CZ 4.34Å; L418-L454 HydrophobicContact CD1-CD1 3.91Å; L418-L454 HydrophobicContact CD1-CD2 4.29Å; L418-F458 HydrophobicContact CD1-CZ 3.83Å
419K97.5Very high95.4Very high139 Ų13947 Ų4760%0.60426%0.255SS*.Hα-helixtrans-64.7-43.7172.9-174.6178.4178.9179.90111.7F415 Q416 Y417 G422 F424F415-K419 WeakPolarHBondContact O-CB 3.36Å; F415-K419 PolarHBondContact O-N 3.29Å; Q416-K419 PolarHBondContact O-N 2.84Å; Y417-K419 VanDerWaalsContact C-N 3.26Å; Y417-K419 PolarHBondContact O-N 3.35Å; K419-G422 PolarHBondContact O-N 2.94Å; K419-F424 HydrophobicContact CB-CD2 4.13Å; K419-F424 HydrophobicContact CB-CE2 4.28Å
420A97.8Very high95.4Very high88 Ų8842.3 Ų42.373%0.72723%0.23SC*.Hα-helixtrans-65.5-41.3-178.300000112.7Q416 Y417 G422Q416-A420 WeakPolarHBondContact O-CB 3.37Å; Q416-A420 PolarHBondContact O-N 3.23Å; Y417-A420 WeakPolarHBondContact O-CA 3.31Å; Y417-A420 WeakPolarHBondContact O-CB 3.44Å; Y417-A420 PolarHBondContact O-N 3.1Å; A420-G422 PolarHBondContact O-N 2.93Å
421V97Very high95.3Very high49 Ų4942.7 Ų42.730%0.29723%0.232SC..THydrogen-bonded Turntrans-76.8-7.4176-57.70000113.3Y392 Y417 L418 A423 F434Y392-V421 HydrophobicContact CD2-CG2 4.14Å; Y392-V421 HydrophobicContact CG-CG2 4.31Å; Y417-V421 HydrophobicContact CD1-CG1 4.27Å; Y417-V421 HydrophobicContact CD1-CG2 4.33Å; Y417-V421 HydrophobicContact CD2-CG1 4.4Å; Y417-V421 HydrophobicContact CE1-CG1 3.74Å; Y417-V421 HydrophobicContact CE1-CG2 4.06Å; Y417-V421 HydrophobicContact CE2-CG1 3.88Å; Y417-V421 WeakPolarHBondContact O-CG2 3.43Å; Y417-V421 PolarHBondContact O-N 3.27Å; L418-V421 WeakPolarHBondContact O-CG2 2.9Å; V421-A423 HydrophobicContact CG2-CB 4.24Å; V421-F434 HydrophobicContact CB-CE2 4.01Å; V421-F434 HydrophobicContact CG2-CE2 3.83Å; V421-F434 VanDerWaalsContact O-CE2 3.31Å; V421-F434 WeakPolarHBondContact O-CE2 3.25Å; V421-F434 WeakPolarHBondContact O-CZ 3.48Å
422G96.1Very high95.3Very high7 Ų742.5 Ų42.57%0.07223%0.231CC..THydrogen-bonded Turntrans82.822.3177.800000114.8L418 K419 A420 F424 N425L418-G422 PolarHBondContact O-N 3.01Å; K419-G422 PolarHBondContact O-N 2.94Å; A420-G422 PolarHBondContact O-N 2.93Å; G422-F424 PolarHBondContact O-N 2.74Å; G422-F424 VanDerWaalsContact O-N 3.13Å; G422-N425 WeakPolarHBondContact CA-ND2 3.48Å; G422-N425 VanDerWaalsContact O-CB 3.29Å; G422-N425 WeakPolarHBondContact O-CB 3.45Å; G422-N425 PolarHBondContact O-N 3.07Å
423A96Very high95.3Very high0 Ų041 Ų410%022%0.22CC..THydrogen-bonded Turntrans-60.2-23.9178.900000112.8Y392 L418 V421 I430 F434Y392-A423 HydrophobicContact CE2-CB 4.21Å; L418-A423 HydrophobicContact CB-CB 4.07Å; L418-A423 HydrophobicContact CD2-CB 4.03Å; L418-A423 VanDerWaalsContact O-CB 3.31Å; L418-A423 WeakPolarHBondContact O-CB 3.39Å; L418-A423 PolarHBondContact O-N 3.18Å; V421-A423 HydrophobicContact CG2-CB 4.24Å; A423-I430 HydrophobicContact CB-CG2 4.25Å; A423-F434 HydrophobicContact CB-CZ 4.38Å
424F94.9Very high95.2Very high43 Ų4342.6 Ų42.619%0.18923%0.229CC..THydrogen-bonded Turntrans-98.78.2178-50.4-44.7000114F415 L418 K419 G422 I430 F458 L473F415-F424 AromaticContact CD2-CE2 3.76Å; F415-F424 HydrophobicContact CD2-CE2 3.76Å; F415-F424 AromaticContact CD2-CZ 3.99Å; F415-F424 HydrophobicContact CD2-CZ 3.99Å; F415-F424 HydrophobicContact CE2-CD2 4.39Å; F415-F424 AromaticContact CE2-CE2 3.65Å; F415-F424 HydrophobicContact CE2-CE2 3.65Å; F415-F424 HydrophobicContact CE2-CZ 4.11Å; F415-F424 HydrophobicContact CG-CE2 4.5Å; F415-F424 HydrophobicContact CZ-CE2 4.31Å; L418-F424 HydrophobicContact CB-CE1 4.25Å; L418-F424 HydrophobicContact CB-CE2 3.69Å; L418-F424 HydrophobicContact CB-CZ 3.52Å; L418-F424 HydrophobicContact CD1-CE1 4.32Å; L418-F424 HydrophobicContact CD1-CZ 3.81Å; L418-F424 HydrophobicContact CG-CZ 4.34Å; K419-F424 HydrophobicContact CB-CD2 4.13Å; K419-F424 HydrophobicContact CB-CE2 4.28Å; G422-F424 PolarHBondContact O-N 2.74Å; G422-F424 VanDerWaalsContact O-N 3.13Å; F424-I430 HydrophobicContact CD1-CD1 3.97Å; F424-I430 HydrophobicContact CD1-CG1 4.45Å; F424-I430 HydrophobicContact CE1-CD1 3.85Å; F424-F458 HydrophobicContact CE1-CE2 4.39Å; F424-F458 AromaticContact CZ-CE2 3.9Å; F424-F458 HydrophobicContact CZ-CE2 3.9Å; F424-F458 HydrophobicContact CZ-CZ 4.17Å; F424-L473 HydrophobicContact CD1-CD1 4.44Å; F424-L473 HydrophobicContact CD1-CD2 3.91Å; F424-L473 HydrophobicContact CE1-CD1 3.89Å; F424-L473 HydrophobicContact CE1-CD2 4.21Å
425N93.1Very high95.1Very high133 Ų13343.9 Ų43.971%0.71124%0.235SC*.  trans-73.2-31.8-177.5-71.9-7.6000112.6G422G422-N425 WeakPolarHBondContact CA-ND2 3.48Å; G422-N425 VanDerWaalsContact O-CB 3.29Å; G422-N425 WeakPolarHBondContact O-CB 3.45Å; G422-N425 PolarHBondContact O-N 3.07Å
426S89.3Confident94.9Very high16 Ų1649.4 Ų49.411%0.11226%0.262CS..  trans-77.9131.2176.5175.80000110.6R428 G429 V497S426-R428 PolarHBondContact O-N 3.01Å; S426-R428 PolarHBondContact OG-N 2.95Å; S426-R428 VanDerWaalsContact OG-N 3.12Å; S426-G429 WeakPolarHBondContact CB-O 3.26Å; S426-V497 WeakPolarHBondContact CB-O 3.29Å; S426-V497 PolarHBondContact OG-O 3.41Å
427S85.4Confident94.8Very high74 Ų7444.8 Ų44.852%0.51724%0.243SC..THydrogen-bonded Turntrans-77.8-4.1173.166.80000113.7
428R88.1Confident94.5Very high30 Ų3049 Ų4911%0.11327%0.267CS..THydrogen-bonded Turntrans-102.7-10.3-171.1-63.7177.1-174.6-156.8-11.8113.7S426 S480 V497 S498 D499 N501S426-R428 PolarHBondContact O-N 3.01Å; S426-R428 PolarHBondContact OG-N 2.95Å; S426-R428 VanDerWaalsContact OG-N 3.12Å; R428-S480 WeakPolarHBondContact CA-OG 3.48Å; R428-S480 WeakPolarHBondContact O-CB 3.48Å; R428-S480 PolarHBondContact O-OG 3.29Å; R428-V497 HydrophobicContact CB-CB 4.22Å; R428-V497 HydrophobicContact CB-CG1 4.27Å; R428-S498 WeakPolarHBondContact CD-O 3.22Å; R428-S498 PolarHBondContact NH1-O 2.71Å; R428-D499 IonicContact NE-OD1 2.67Å; R428-D499 PolarHBondContact NE-OD1 2.92Å; R428-N501 PolarHBondContact NH1-O 2.87Å; R428-N501 PolarHBondContact NH2-O 2.83Å
429G91.5Very high94.5Very high5 Ų549.7 Ų49.75%0.05227%0.27CS..  trans143.9-172.4-176.500000111.1S426S426-G429 WeakPolarHBondContact CB-O 3.26Å
430I95Very high94.4Very high5 Ų543.1 Ų43.13%0.02624%0.241CC..  trans-111.1121.6-174.9-60.1177.2000108.2Y392 I394 A423 F424 A446 L454 L473Y392-I430 VanDerWaalsContact OH-CG2 3.27Å; Y392-I430 WeakPolarHBondContact OH-CG2 3.5Å; I394-I430 HydrophobicContact CD1-CB 4.1Å; I394-I430 HydrophobicContact CD1-CG2 3.73Å; A423-I430 HydrophobicContact CB-CG2 4.25Å; F424-I430 HydrophobicContact CD1-CD1 3.97Å; F424-I430 HydrophobicContact CD1-CG1 4.45Å; F424-I430 HydrophobicContact CE1-CD1 3.85Å; I430-A446 WeakPolarHBondContact O-CB 3.36Å; I430-L454 HydrophobicContact CD1-CD2 3.31Å; I430-L454 HydrophobicContact CD1-CG 4.43Å; I430-L454 HydrophobicContact CG2-CD2 4.32Å; I430-L473 HydrophobicContact CD1-CD1 3.96Å; I430-L473 HydrophobicContact CD1-CD2 3.89Å; I430-L473 HydrophobicContact CD1-CG 4.47Å
431P95.8Very high94.4Very high9 Ų939 Ų396%0.05821%0.207CC..  trans-68.6150.8-176.729.8-35.1000111.1Y392 F434 V497Y392-P431 WeakPolarHBondContact CE1-O 3.34Å; Y392-P431 PolarHBondContact OH-O 3.47Å; P431-F434 HydrophobicContact CG-CD1 4.12Å; P431-F434 HydrophobicContact CG-CE1 3.59Å; P431-F434 HydrophobicContact CG-CZ 4.11Å; P431-V497 HydrophobicContact CB-CG2 3.79Å
432T97.8Very high94.4Very high0 Ų036.7 Ų36.70%019%0.193CC..SBendtrans-65.9-40.6-178.6-550000112.2W298 Y393 I394 W441 N445 W447W298-T432 HydrophobicContact CE3-CG2 3.94Å; W298-T432 HydrophobicContact CH2-CG2 3.39Å; W298-T432 HydrophobicContact CZ2-CG2 4.23Å; W298-T432 HydrophobicContact CZ3-CG2 3.2Å; Y393-T432 CarbonylContact C-O 3.48Å; Y393-T432 WeakPolarHBondContact CA-O 3.44Å; I394-T432 HydrophobicContact CG2-CG2 4.19Å; I394-T432 PolarHBondContact N-O 2.94Å; T432-W441 HydrophobicContact CG2-CB 4.35Å; T432-W441 HydrophobicContact CG2-CE3 4.03Å; T432-W441 WeakPolarHBondContact CG2-O 3.47Å; T432-N445 WeakPolarHBondContact CB-O 3.48Å; T432-N445 PolarHBondContact N-O 3.18Å; T432-N445 PolarHBondContact OG1-O 2.83Å; T432-W447 VanDerWaalsContact OG1-CD1 3.25Å
433S97.5Very high94.4Very high0 Ų037.6 Ų37.60%020%0.198CC..BIsolated β-bridgetrans-149.5174172.377.20000107.9Y393 I435 D442 S443Y393-S433 VanDerWaalsContact CD1-CB 3.48Å; Y393-S433 VanDerWaalsContact CE1-CB 3.48Å; S433-I435 PolarHBondContact OG-N 3.08Å; S433-I435 PolarHBondContact OG-O 3.27Å; S433-D442 WeakPolarHBondContact OG-CA 3.37Å; S433-D442 PolarHBondContact OG-OD1 3.33Å; S433-S443 VanDerWaalsContact O-CB 3.31Å; S433-S443 WeakPolarHBondContact O-CB 3.4Å; S433-S443 PolarHBondContact OG-N 2.98Å
434F96.2Very high94.3Very high89 Ų8938.8 Ų38.839%0.3921%0.208SC..SBendtrans-98.5-0.9167.4-67.2-63.7000113.5Y392 V421 A423 P431Y392-F434 AromaticContact CD1-CD2 3.3Å; Y392-F434 HydrophobicContact CD1-CD2 3.3Å; Y392-F434 AromaticContact CD1-CE2 3.33Å; Y392-F434 HydrophobicContact CD1-CE2 3.33Å; Y392-F434 HydrophobicContact CD1-CG 4.17Å; Y392-F434 HydrophobicContact CD1-CZ 4.24Å; Y392-F434 HydrophobicContact CE1-CD2 4.01Å; Y392-F434 AromaticContact CE1-CE2 3.73Å; Y392-F434 HydrophobicContact CE1-CE2 3.73Å; Y392-F434 HydrophobicContact CE1-CZ 4.21Å; Y392-F434 AromaticContact CG-CD2 3.92Å; Y392-F434 HydrophobicContact CG-CD2 3.92Å; Y392-F434 AromaticContact CG-CE2 3.82Å; Y392-F434 HydrophobicContact CG-CE2 3.82Å; V421-F434 HydrophobicContact CB-CE2 4.01Å; V421-F434 HydrophobicContact CG2-CE2 3.83Å; V421-F434 VanDerWaalsContact O-CE2 3.31Å; V421-F434 WeakPolarHBondContact O-CE2 3.25Å; V421-F434 WeakPolarHBondContact O-CZ 3.48Å; A423-F434 HydrophobicContact CB-CZ 4.38Å; P431-F434 HydrophobicContact CG-CD1 4.12Å; P431-F434 HydrophobicContact CG-CE1 3.59Å; P431-F434 HydrophobicContact CG-CZ 4.11Å
435I96Very high94.3Very high28 Ų2837.1 Ų37.114%0.14420%0.202CC..  trans-80.8128.7179.8-63.5167.8000108.1S302 Y313 V391 Y393 S433 T437 S443S302-I435 WeakPolarHBondContact OG-CD1 3.42Å; Y313-I435 HydrophobicContact CD1-CD1 4.03Å; Y313-I435 HydrophobicContact CD1-CG2 3.93Å; Y313-I435 HydrophobicContact CE1-CD1 3.61Å; Y313-I435 HydrophobicContact CE1-CG1 4.44Å; Y313-I435 HydrophobicContact CE1-CG2 4.38Å; Y313-I435 HydrophobicContact CG-CG2 4.45Å; V391-I435 HydrophobicContact CG1-CD1 3.63Å; V391-I435 HydrophobicContact CG1-CG1 4.34Å; Y393-I435 VanDerWaalsContact OH-CD1 3.28Å; Y393-I435 WeakPolarHBondContact OH-CD1 3.47Å; S433-I435 PolarHBondContact OG-N 3.08Å; S433-I435 PolarHBondContact OG-O 3.27Å; I435-T437 HydrophobicContact CG2-CG2 3.75Å; I435-S443 WeakPolarHBondContact O-CB 3.37Å; I435-S443 PolarHBondContact O-N 2.87Å
436Q93.2Very high94.5Very high167 Ų16730.8 Ų30.878%0.7817%0.168SC*.BIsolated β-bridgetrans-89.1113.8173.3-68.7-175.1-25.400108.9
437T95.3Very high94.9Very high32 Ų3230.1 Ų30.120%0.19616%0.163CC..  trans-128.4177.9169.2690000108.8I435 Q439 D442I435-T437 HydrophobicContact CG2-CG2 3.75Å; T437-Q439 PolarHBondContact O-N 3.05Å; T437-Q439 WeakPolarHBondContact OG1-CB 3.2Å; T437-Q439 PolarHBondContact OG1-N 3.37Å; T437-D442 WeakPolarHBondContact CG2-OD2 3.02Å; T437-D442 WeakPolarHBondContact OG1-CB 3.46Å; T437-D442 PolarHBondContact OG1-OD2 2.85Å
438D93.8Very high95.5Very high115 Ų11526.6 Ų26.662%0.61514%0.138SC*.SBendtrans-79.20.8167.861.6-22.4000112.9G509 G510D438-G509 CarbonylContact O-C 3.51Å; D438-G509 VanDerWaalsContact O-CA 3.26Å; D438-G509 WeakPolarHBondContact O-CA 3.48Å; D438-G510 PolarHBondContact O-N 3.37Å
439Q96.8Very high96Very high14 Ų1425.2 Ų25.27%0.06513%0.133CC..SBendtrans-90.9154.2-174.4-50.7-58.8-39.800112.9F300 F305 T437F300-Q439 HydrophobicContact CB-CB 4.46Å; F300-Q439 HydrophobicContact CB-CG 4.27Å; F300-Q439 VanDerWaalsContact O-CB 3.23Å; F300-Q439 WeakPolarHBondContact O-CB 3.31Å; F305-Q439 HydrophobicContact CE2-CG 3.72Å; F305-Q439 HydrophobicContact CZ-CG 3.85Å; T437-Q439 PolarHBondContact O-N 3.05Å; T437-Q439 WeakPolarHBondContact OG1-CB 3.2Å; T437-Q439 PolarHBondContact OG1-N 3.37Å
440Q96.4Very high96.3Very high1 Ų125.1 Ų25.11%0.00513%0.131CC..THydrogen-bonded Turntrans-81-23.4-170.962.2174.8-19.300114.8D299 D442 N445 W447 Y512D299-Q440 WeakPolarHBondContact O-CG 3.45Å; D299-Q440 PolarHBondContact O-NE2 3.12Å; Q440-D442 VanDerWaalsContact C-N 3.28Å; Q440-D442 PolarHBondContact O-N 2.77Å; Q440-N445 WeakPolarHBondContact O-CB 3.38Å; Q440-N445 PolarHBondContact O-ND2 3.36Å; Q440-W447 HydrophobicContact CB-CZ2 3.87Å; Q440-W447 HydrophobicContact CG-CH2 4.19Å; Q440-W447 HydrophobicContact CG-CZ2 3.79Å; Q440-W447 WeakPolarHBondContact O-CZ2 3.36Å; Q440-W447 PolarHBondContact O-NE1 3.37Å; Q440-Y512 PolarHBondContact NE2-OH 2.98Å; Q440-Y512 PolarHBondContact OE1-OH 3.46Å
441W97.9Very high96.4Very high2 Ų225 Ų251%0.00813%0.13CC..THydrogen-bonded Turntrans-96.843.2176.3-70.492000112.1W152 G297 W298 F300 S301 T432 W447 M450 W520W152-W441 AromaticContact CH2-CH2 3.35Å; W152-W441 HydrophobicContact CH2-CH2 3.35Å; W152-W441 AromaticContact CH2-CZ2 3.73Å; W152-W441 HydrophobicContact CH2-CZ2 3.73Å; W152-W441 HydrophobicContact CH2-CZ3 4.1Å; W152-W441 AromaticContact CZ2-CH2 3.65Å; W152-W441 HydrophobicContact CZ2-CH2 3.65Å; W152-W441 AromaticContact CZ2-CZ2 3.6Å; W152-W441 HydrophobicContact CZ2-CZ2 3.6Å; W152-W441 HydrophobicContact CZ3-CH2 4.49Å; G297-W441 WeakPolarHBondContact O-CZ2 3.16Å; G297-W441 PolarHBondContact O-NE1 3.03Å; G297-W441 VanDerWaalsContact O-NE1 3.1Å; W298-W441 VanDerWaalsContact CA-CD1 3.45Å; W298-W441 HydrophobicContact CB-CB 4.14Å; W298-W441 HydrophobicContact CB-CD2 4.04Å; W298-W441 HydrophobicContact CB-CE3 4.42Å; W298-W441 HydrophobicContact CB-CG 3.91Å; W298-W441 AromaticContact CD1-CE3 3.84Å; W298-W441 AromaticContact CD1-CZ3 3.89Å; W298-W441 HydrophobicContact CD2-CB 4.16Å; W298-W441 AromaticContact CD2-CD2 3.84Å; W298-W441 HydrophobicContact CD2-CD2 3.84Å; W298-W441 AromaticContact CD2-CE3 3.32Å; W298-W441 HydrophobicContact CD2-CE3 3.32Å; W298-W441 HydrophobicContact CD2-CG 4.21Å; W298-W441 AromaticContact CD2-CZ3 3.96Å; W298-W441 HydrophobicContact CD2-CZ3 3.96Å; W298-W441 AromaticContact CE2-CE3 3.4Å; W298-W441 VanDerWaalsContact CE2-CE3 3.4Å; W298-W441 AromaticContact CE2-CZ3 3.56Å; W298-W441 HydrophobicContact CE3-CB 3.78Å; W298-W441 HydrophobicContact CE3-CD2 4.28Å; W298-W441 AromaticContact CE3-CE3 3.81Å; W298-W441 HydrophobicContact CE3-CE3 3.81Å; W298-W441 HydrophobicContact CE3-CG 4.31Å; W298-W441 HydrophobicContact CG-CB 4.36Å; W298-W441 AromaticContact CG-CD2 3.73Å; W298-W441 HydrophobicContact CG-CD2 3.73Å; W298-W441 AromaticContact CG-CE3 3.62Å; W298-W441 HydrophobicContact CG-CE3 3.62Å; W298-W441 HydrophobicContact CG-CG 4.06Å; W298-W441 HydrophobicContact CG-CZ3 4.15Å; W298-W441 HydrophobicContact CH2-CE3 4.39Å; W298-W441 AromaticContact CZ2-CE3 3.95Å; W298-W441 HydrophobicContact CZ2-CE3 3.95Å; W298-W441 HydrophobicContact CZ2-CZ3 4.04Å; W298-W441 HydrophobicContact CZ3-CE3 4.32Å; W298-W441 AromaticContact NE1-CE3 3.69Å; W298-W441 AromaticContact NE1-CZ3 3.49Å; F300-W441 WeakPolarHBondContact O-CB 3.43Å; F300-W441 PolarHBondContact O-N 2.84Å; S301-W441 WeakPolarHBondContact CB-O 3.46Å; S301-W441 PolarHBondContact OG-O 2.72Å; T432-W441 HydrophobicContact CG2-CB 4.35Å; T432-W441 HydrophobicContact CG2-CE3 4.03Å; T432-W441 WeakPolarHBondContact CG2-O 3.47Å; W441-W447 AromaticContact CD1-CZ2 3.8Å; W441-W447 AromaticContact CD2-CD1 3.94Å; W441-W447 AromaticContact CD2-CD2 3.93Å; W441-W447 HydrophobicContact CD2-CD2 3.93Å; W441-W447 AromaticContact CD2-CE2 3.55Å; W441-W447 HydrophobicContact CD2-CG 4.17Å; W441-W447 HydrophobicContact CD2-CH2 4.49Å; W441-W447 AromaticContact CD2-CZ2 3.89Å; W441-W447 HydrophobicContact CD2-CZ2 3.89Å; W441-W447 AromaticContact CD2-NE1 3.61Å; W441-W447 AromaticContact CE2-CD2 3.68Å; W441-W447 AromaticContact CE2-CE2 3.5Å; W441-W447 AromaticContact CE2-CE3 3.85Å; W441-W447 AromaticContact CE2-CH2 3.69Å; W441-W447 AromaticContact CE2-CZ2 3.54Å; W441-W447 AromaticContact CE2-CZ3 3.84Å; W441-W447 HydrophobicContact CE3-CB 4.34Å; W441-W447 AromaticContact CE3-CD1 3.51Å; W441-W447 AromaticContact CE3-CD2 3.94Å; W441-W447 HydrophobicContact CE3-CD2 3.94Å; W441-W447 AromaticContact CE3-CE2 3.92Å; W441-W447 AromaticContact CE3-CG 3.7Å; W441-W447 HydrophobicContact CE3-CG 3.7Å; W441-W447 AromaticContact CE3-NE1 3.68Å; W441-W447 HydrophobicContact CG-CZ2 4.03Å; W441-W447 AromaticContact CG-NE1 3.98Å; W441-W447 HydrophobicContact CH2-CB 3.79Å; W441-W447 AromaticContact CH2-CD2 3.47Å; W441-W447 HydrophobicContact CH2-CD2 3.47Å; W441-W447 VanDerWaalsContact CH2-CD2 3.47Å; W441-W447 AromaticContact CH2-CE3 3.56Å; W441-W447 HydrophobicContact CH2-CE3 3.56Å; W441-W447 AromaticContact CH2-CG 3.57Å; W441-W447 HydrophobicContact CH2-CG 3.57Å; W441-W447 HydrophobicContact CH2-CZ3 4.25Å; W441-W447 AromaticContact CZ2-CD2 3.44Å; W441-W447 HydrophobicContact CZ2-CD2 3.44Å; W441-W447 VanDerWaalsContact CZ2-CD2 3.44Å; W441-W447 AromaticContact CZ2-CE2 3.81Å; W441-W447 AromaticContact CZ2-CE3 3.3Å; W441-W447 HydrophobicContact CZ2-CE3 3.3Å; W441-W447 HydrophobicContact CZ2-CG 4.05Å; W441-W447 AromaticContact CZ2-CH2 3.89Å; W441-W447 HydrophobicContact CZ2-CH2 3.89Å; W441-W447 HydrophobicContact CZ2-CZ2 4.05Å; W441-W447 AromaticContact CZ2-CZ3 3.51Å; W441-W447 HydrophobicContact CZ2-CZ3 3.51Å; W441-W447 HydrophobicContact CZ3-CB 3.61Å; W441-W447 AromaticContact CZ3-CD1 3.68Å; W441-W447 AromaticContact CZ3-CD2 3.73Å; W441-W447 HydrophobicContact CZ3-CD2 3.73Å; W441-W447 HydrophobicContact CZ3-CE3 4.3Å; W441-W447 AromaticContact CZ3-CG 3.38Å; W441-W447 HydrophobicContact CZ3-CG 3.38Å; W441-W447 AromaticContact NE1-CE2 3.93Å; W441-W447 AromaticContact NE1-CH2 3.54Å; W441-W447 AromaticContact NE1-CZ2 3.48Å; W441-M450 HydrophobicContact CZ3-CG 3.94Å; W441-W520 HydrophobicContact CZ2-CH2 4.17Å
442D97.3Very high96.6Very high0 Ų024.5 Ų24.50%013%0.127CC..SBendtrans-141.4179178.2-88.5-38.3000111.5S302 S433 T437 Q440 N445S302-D442 WeakPolarHBondContact CB-OD1 3.41Å; S302-D442 VanDerWaalsContact CB-OD2 3.23Å; S302-D442 WeakPolarHBondContact CB-OD2 3.47Å; S302-D442 PolarHBondContact N-OD2 2.97Å; S302-D442 VanDerWaalsContact OG-CG 3.29Å; S302-D442 PolarHBondContact OG-OD1 2.96Å; S302-D442 PolarHBondContact OG-OD2 3.27Å; S433-D442 WeakPolarHBondContact OG-CA 3.37Å; S433-D442 PolarHBondContact OG-OD1 3.33Å; T437-D442 WeakPolarHBondContact CG2-OD2 3.02Å; T437-D442 WeakPolarHBondContact OG1-CB 3.46Å; T437-D442 PolarHBondContact OG1-OD2 2.85Å; Q440-D442 VanDerWaalsContact C-N 3.28Å; Q440-D442 PolarHBondContact O-N 2.77Å; D442-N445 WeakPolarHBondContact O-CB 3.37Å; D442-N445 PolarHBondContact O-N 3.33Å
443S95Very high96.6Very high26 Ų2624.6 Ų24.618%0.18213%0.128CC..BIsolated β-bridgetrans-60.5138.4176.1-165.40000111.1S433 I435S433-S443 VanDerWaalsContact O-CB 3.31Å; S433-S443 WeakPolarHBondContact O-CB 3.4Å; S433-S443 PolarHBondContact OG-N 2.98Å; I435-S443 WeakPolarHBondContact O-CB 3.37Å; I435-S443 PolarHBondContact O-N 2.87Å
444A93.5Very high96.6Very high26 Ų2624.6 Ų24.622%0.21513%0.128CC..THydrogen-bonded Turncis-102.830.1800000113.4V497A444-V497 VanDerWaalsContact O-CG2 3.25Å; A444-V497 WeakPolarHBondContact O-CG2 3.23Å; A444-V497 PolarHBondContact O-N 3.04Å
445N95.7Very high96.7Very high8 Ų820.4 Ų20.44%0.04311%0.109CC..EExtended strand (participates in β ladder)trans-84.5144.2-178.1-65.7-30.8000111.7T432 Q440 D442 Y495 G507 G508T432-N445 WeakPolarHBondContact CB-O 3.48Å; T432-N445 PolarHBondContact N-O 3.18Å; T432-N445 PolarHBondContact OG1-O 2.83Å; Q440-N445 WeakPolarHBondContact O-CB 3.38Å; Q440-N445 PolarHBondContact O-ND2 3.36Å; D442-N445 WeakPolarHBondContact O-CB 3.37Å; D442-N445 PolarHBondContact O-N 3.33Å; N445-Y495 CarbonylContact C-O 3.42Å; N445-Y495 WeakPolarHBondContact CA-O 3.2Å; N445-G507 WeakPolarHBondContact OD1-CA 3.29Å; N445-G508 PolarHBondContact ND2-O 3.36Å; N445-G508 PolarHBondContact OD1-N 2.99Å
446A96.5Very high96.8Very high0 Ų019.7 Ų19.70%011%0.105CC..EExtended strand (participates in β ladder)trans-118.6135.2163.400000109.8I430 V451 W477 Y495 V497I430-A446 WeakPolarHBondContact O-CB 3.36Å; A446-V451 HydrophobicContact CB-CG2 4.28Å; A446-W477 HydrophobicContact CB-CH2 4.08Å; A446-W477 HydrophobicContact CB-CZ3 3.98Å; A446-Y495 PolarHBondContact N-O 3.26Å; A446-Y495 PolarHBondContact O-N 2.85Å; A446-V497 HydrophobicContact CB-CB 4.49Å; A446-V497 HydrophobicContact CB-CG1 3.37Å; A446-V497 HydrophobicContact CB-CG2 4.32Å
447W97.8Very high97.1Very high2 Ų211.8 Ų11.81%0.0087%0.069CC..  trans-104.8125.5179.4-67.578.1000109.9T432 Q440 W441 P449 M450 V451 E493 K494 W520T432-W447 VanDerWaalsContact OG1-CD1 3.25Å; Q440-W447 HydrophobicContact CB-CZ2 3.87Å; Q440-W447 HydrophobicContact CG-CH2 4.19Å; Q440-W447 HydrophobicContact CG-CZ2 3.79Å; Q440-W447 WeakPolarHBondContact O-CZ2 3.36Å; Q440-W447 PolarHBondContact O-NE1 3.37Å; W441-W447 AromaticContact CD1-CZ2 3.8Å; W441-W447 AromaticContact CD2-CD1 3.94Å; W441-W447 AromaticContact CD2-CD2 3.93Å; W441-W447 HydrophobicContact CD2-CD2 3.93Å; W441-W447 AromaticContact CD2-CE2 3.55Å; W441-W447 HydrophobicContact CD2-CG 4.17Å; W441-W447 HydrophobicContact CD2-CH2 4.49Å; W441-W447 AromaticContact CD2-CZ2 3.89Å; W441-W447 HydrophobicContact CD2-CZ2 3.89Å; W441-W447 AromaticContact CD2-NE1 3.61Å; W441-W447 AromaticContact CE2-CD2 3.68Å; W441-W447 AromaticContact CE2-CE2 3.5Å; W441-W447 AromaticContact CE2-CE3 3.85Å; W441-W447 AromaticContact CE2-CH2 3.69Å; W441-W447 AromaticContact CE2-CZ2 3.54Å; W441-W447 AromaticContact CE2-CZ3 3.84Å; W441-W447 HydrophobicContact CE3-CB 4.34Å; W441-W447 AromaticContact CE3-CD1 3.51Å; W441-W447 AromaticContact CE3-CD2 3.94Å; W441-W447 HydrophobicContact CE3-CD2 3.94Å; W441-W447 AromaticContact CE3-CE2 3.92Å; W441-W447 AromaticContact CE3-CG 3.7Å; W441-W447 HydrophobicContact CE3-CG 3.7Å; W441-W447 AromaticContact CE3-NE1 3.68Å; W441-W447 HydrophobicContact CG-CZ2 4.03Å; W441-W447 AromaticContact CG-NE1 3.98Å; W441-W447 HydrophobicContact CH2-CB 3.79Å; W441-W447 AromaticContact CH2-CD2 3.47Å; W441-W447 HydrophobicContact CH2-CD2 3.47Å; W441-W447 VanDerWaalsContact CH2-CD2 3.47Å; W441-W447 AromaticContact CH2-CE3 3.56Å; W441-W447 HydrophobicContact CH2-CE3 3.56Å; W441-W447 AromaticContact CH2-CG 3.57Å; W441-W447 HydrophobicContact CH2-CG 3.57Å; W441-W447 HydrophobicContact CH2-CZ3 4.25Å; W441-W447 AromaticContact CZ2-CD2 3.44Å; W441-W447 HydrophobicContact CZ2-CD2 3.44Å; W441-W447 VanDerWaalsContact CZ2-CD2 3.44Å; W441-W447 AromaticContact CZ2-CE2 3.81Å; W441-W447 AromaticContact CZ2-CE3 3.3Å; W441-W447 HydrophobicContact CZ2-CE3 3.3Å; W441-W447 HydrophobicContact CZ2-CG 4.05Å; W441-W447 AromaticContact CZ2-CH2 3.89Å; W441-W447 HydrophobicContact CZ2-CH2 3.89Å; W441-W447 HydrophobicContact CZ2-CZ2 4.05Å; W441-W447 AromaticContact CZ2-CZ3 3.51Å; W441-W447 HydrophobicContact CZ2-CZ3 3.51Å; W441-W447 HydrophobicContact CZ3-CB 3.61Å; W441-W447 AromaticContact CZ3-CD1 3.68Å; W441-W447 AromaticContact CZ3-CD2 3.73Å; W441-W447 HydrophobicContact CZ3-CD2 3.73Å; W441-W447 HydrophobicContact CZ3-CE3 4.3Å; W441-W447 AromaticContact CZ3-CG 3.38Å; W441-W447 HydrophobicContact CZ3-CG 3.38Å; W441-W447 AromaticContact NE1-CE2 3.93Å; W441-W447 AromaticContact NE1-CH2 3.54Å; W441-W447 AromaticContact NE1-CZ2 3.48Å; W447-P449 VanDerWaalsContact C-CD 3.47Å; W447-P449 VanDerWaalsContact C-N 3.3Å; W447-M450 HydrophobicContact CB-CG 4.39Å; W447-M450 PolarHBondContact O-N 3.07Å; W447-V451 PolarHBondContact O-N 3.19Å; W447-V451 VanDerWaalsContact O-N 3.16Å; W447-E493 HydrophobicContact CE3-CG 4.33Å; W447-E493 HydrophobicContact CH2-CG 4.1Å; W447-E493 HydrophobicContact CZ3-CG 3.55Å; W447-K494 HydrophobicContact CD2-CB 3.8Å; W447-K494 HydrophobicContact CE3-CB 4.08Å; W447-K494 HydrophobicContact CG-CB 4.3Å; W447-K494 HydrophobicContact CH2-CB 4.38Å; W447-K494 HydrophobicContact CH2-CD 3.62Å; W447-K494 HydrophobicContact CH2-CG 4.44Å; W447-K494 HydrophobicContact CZ2-CB 4.06Å; W447-K494 HydrophobicContact CZ2-CD 3.69Å; W447-K494 HydrophobicContact CZ2-CG 4.12Å; W447-K494 HydrophobicContact CZ3-CB 4.37Å; W447-K494 HydrophobicContact CZ3-CD 4.13Å; W447-W520 AromaticContact CE3-CH2 3.52Å; W447-W520 HydrophobicContact CE3-CH2 3.52Å; W447-W520 AromaticContact CE3-CZ2 3.21Å; W447-W520 HydrophobicContact CE3-CZ2 3.21Å; W447-W520 AromaticContact CZ3-CH2 3.38Å; W447-W520 HydrophobicContact CZ3-CH2 3.38Å; W447-W520 AromaticContact CZ3-CZ2 3.21Å; W447-W520 HydrophobicContact CZ3-CZ2 3.21Å
448P98Very high97.2Very high0 Ų010.2 Ų10.20%06%0.059CC..Hα-helixtrans-49.3-43.7179.6-16.320000114M450 V451 H452 W477 E493 Y495 T521 V524P448-M450 VanDerWaalsContact C-N 3.3Å; P448-M450 PolarHBondContact O-N 3.26Å; P448-V451 PolarHBondContact O-N 3.44Å; P448-H452 VanDerWaalsContact O-CB 3.23Å; P448-H452 WeakPolarHBondContact O-CB 3.48Å; P448-H452 PolarHBondContact O-N 2.61Å; P448-W477 HydrophobicContact CB-CZ2 3.95Å; P448-W477 HydrophobicContact CG-CZ2 3.94Å; P448-E493 VanDerWaalsContact CD-O 3.32Å; P448-E493 WeakPolarHBondContact CD-O 3.06Å; P448-Y495 HydrophobicContact CG-CD2 4.43Å; P448-Y495 HydrophobicContact CG-CE2 4.37Å; P448-T521 HydrophobicContact CB-CG2 4.44Å; P448-T521 HydrophobicContact CG-CG2 3.87Å; P448-T521 WeakPolarHBondContact CG-OG1 3.46Å; P448-V524 HydrophobicContact CB-CB 4.09Å; P448-V524 HydrophobicContact CB-CG1 4.16Å; P448-V524 HydrophobicContact CB-CG2 4Å
449P98.4Very high97.4Very high0 Ų08.8 Ų8.80%05%0.045CC..Hα-helixtrans-43.5-49.9169.9-40.844000116W156 W447 M453 W520W156-P449 HydrophobicContact CD2-CB 4.14Å; W156-P449 HydrophobicContact CD2-CG 4.02Å; W156-P449 HydrophobicContact CE3-CB 4.21Å; W156-P449 HydrophobicContact CE3-CG 3.89Å; W156-P449 HydrophobicContact CH2-CB 3.47Å; W156-P449 VanDerWaalsContact CH2-CB 3.47Å; W156-P449 HydrophobicContact CH2-CG 4.01Å; W156-P449 HydrophobicContact CZ2-CB 3.34Å; W156-P449 HydrophobicContact CZ2-CG 4.09Å; W156-P449 HydrophobicContact CZ3-CB 3.89Å; W156-P449 HydrophobicContact CZ3-CG 3.88Å; W447-P449 VanDerWaalsContact C-CD 3.47Å; W447-P449 VanDerWaalsContact C-N 3.3Å; P449-M453 WeakPolarHBondContact O-CG 3.21Å; P449-M453 PolarHBondContact O-N 3.43Å; P449-W520 HydrophobicContact CG-CB 4.2Å; P449-W520 HydrophobicContact CG-CD2 3.55Å; P449-W520 HydrophobicContact CG-CE3 3.54Å; P449-W520 HydrophobicContact CG-CG 3.82Å; P449-W520 HydrophobicContact CG-CZ3 4.14Å
450M98.4Very high97.4Very high3 Ų311 Ų112%0.0156%0.06CC..Hα-helixtrans-77.7-40.8-172.4-66.1-47.3-5600112W298 I394 L398 W441 W447 P448 H452 M453 L454W298-M450 HydrophobicContact CZ2-CE 3.88Å; W298-M450 HydrophobicContact CZ2-CG 3.77Å; W298-M450 HydrophobicContact CZ2-SD 3.73Å; I394-M450 HydrophobicContact CB-CB 4.48Å; I394-M450 HydrophobicContact CD1-CB 3.8Å; I394-M450 HydrophobicContact CG1-CB 4.08Å; I394-M450 HydrophobicContact CG1-CE 4.43Å; I394-M450 HydrophobicContact CG2-CB 3.6Å; I394-M450 HydrophobicContact CG2-CE 3.86Å; I394-M450 HydrophobicContact CG2-CG 3.79Å; L398-M450 HydrophobicContact CD1-CE 4.39Å; L398-M450 HydrophobicContact CD2-CE 3.35Å; W441-M450 HydrophobicContact CZ3-CG 3.94Å; W447-M450 HydrophobicContact CB-CG 4.39Å; W447-M450 PolarHBondContact O-N 3.07Å; P448-M450 VanDerWaalsContact C-N 3.3Å; P448-M450 PolarHBondContact O-N 3.26Å; M450-H452 VanDerWaalsContact C-N 3.28Å; M450-H452 PolarHBondContact O-N 2.74Å; M450-M453 PolarHBondContact O-N 3.14Å; M450-L454 PolarHBondContact O-N 2.76Å; M450-L454 VanDerWaalsContact O-N 3.09Å
451V97.9Very high97.3Very high2 Ų212.1 Ų12.11%0.0127%0.068CC..Hα-helixtrans-60.8-42.8173.5179.20000110A446 W447 P448 L454 I455 W477A446-V451 HydrophobicContact CB-CG2 4.28Å; W447-V451 PolarHBondContact O-N 3.19Å; W447-V451 VanDerWaalsContact O-N 3.16Å; P448-V451 PolarHBondContact O-N 3.44Å; V451-L454 PolarHBondContact O-N 3.48Å; V451-I455 HydrophobicContact CG1-CD1 3.83Å; V451-I455 WeakPolarHBondContact O-CD1 3.24Å; V451-I455 VanDerWaalsContact O-CG1 3.3Å; V451-I455 WeakPolarHBondContact O-CG1 3.42Å; V451-I455 PolarHBondContact O-N 3.04Å; V451-W477 HydrophobicContact CB-CD2 4.3Å; V451-W477 HydrophobicContact CG1-CB 4.13Å; V451-W477 HydrophobicContact CG1-CD2 3.75Å; V451-W477 HydrophobicContact CG1-CE3 4.09Å; V451-W477 HydrophobicContact CG1-CG 3.76Å; V451-W477 HydrophobicContact CG2-CD2 4.39Å; V451-W477 HydrophobicContact CG2-CE3 4.2Å; V451-W477 HydrophobicContact CG2-CH2 4.2Å; V451-W477 HydrophobicContact CG2-CZ2 4.4Å; V451-W477 HydrophobicContact CG2-CZ3 4.1Å
452H98.5Very high97Very high0 Ų015.2 Ų15.20%010%0.1CC..Hα-helixtrans-60.4-50.4177177.1-92000112.6W156 P448 M450 L454 I455 E456 V524 D527W156-H452 AromaticContact CD1-ND1 3.82Å; W156-H452 AromaticContact NE1-CG 3.89Å; W156-H452 AromaticContact NE1-ND1 3.44Å; W156-H452 PolarHBondContact NE1-ND1 3Å; P448-H452 VanDerWaalsContact O-CB 3.23Å; P448-H452 WeakPolarHBondContact O-CB 3.48Å; P448-H452 PolarHBondContact O-N 2.61Å; M450-H452 VanDerWaalsContact C-N 3.28Å; M450-H452 PolarHBondContact O-N 2.74Å; H452-L454 VanDerWaalsContact C-N 3.3Å; H452-L454 PolarHBondContact O-N 2.95Å; H452-I455 PolarHBondContact O-N 2.75Å; H452-E456 PolarHBondContact O-N 2.85Å; H452-V524 HydrophobicContact CB-CB 4.4Å; H452-V524 HydrophobicContact CB-CG1 3.85Å; H452-V524 HydrophobicContact CB-CG2 3.7Å; H452-D527 IonicContact CD2-OD2 3.68Å; H452-D527 IonicContact CE1-OD2 3.83Å; H452-D527 IonicContact NE2-OD2 2.73Å; H452-D527 PolarHBondContact NE2-OD2 3.45Å
453M98.5Very high96.8Very high1 Ų117 Ų171%0.00511%0.11CC..Hα-helixtrans-64-34.8-179.1-75.5176.516500112.5F155 W156 L203 F331 L398 Y401 P449 M450 G457F155-M453 HydrophobicContact CD1-CE 4.17Å; F155-M453 HydrophobicContact CE1-CE 3.97Å; W156-M453 HydrophobicContact CH2-CE 4.01Å; W156-M453 HydrophobicContact CZ2-CE 3.4Å; W156-M453 VanDerWaalsContact CZ2-CE 3.4Å; W156-M453 HydrophobicContact CZ2-CG 4.36Å; W156-M453 HydrophobicContact CZ2-SD 3.85Å; L203-M453 HydrophobicContact CD1-CE 4.15Å; L203-M453 HydrophobicContact CD2-CE 4.28Å; F331-M453 HydrophobicContact CE1-CE 3.57Å; F331-M453 HydrophobicContact CE1-SD 3.98Å; F331-M453 HydrophobicContact CZ-CE 3.9Å; F331-M453 HydrophobicContact CZ-SD 3.96Å; L398-M453 HydrophobicContact CD1-CB 3.71Å; L398-M453 HydrophobicContact CD1-CG 4.07Å; L398-M453 HydrophobicContact CD1-SD 3.37Å; L398-M453 WeakPolarHBondContact CD1-SD 3.43Å; Y401-M453 HydrophobicContact CD1-CE 4.38Å; Y401-M453 HydrophobicContact CD1-CG 4.22Å; Y401-M453 HydrophobicContact CD1-SD 4.41Å; Y401-M453 HydrophobicContact CD2-CB 4.15Å; Y401-M453 HydrophobicContact CD2-CG 4.08Å; Y401-M453 HydrophobicContact CE1-CE 3.94Å; Y401-M453 HydrophobicContact CE1-CG 4.37Å; Y401-M453 HydrophobicContact CE2-CG 4.23Å; Y401-M453 HydrophobicContact CG-CB 4.08Å; Y401-M453 HydrophobicContact CG-CG 4.07Å; P449-M453 WeakPolarHBondContact O-CG 3.21Å; P449-M453 PolarHBondContact O-N 3.43Å; M450-M453 PolarHBondContact O-N 3.14Å; M453-G457 PolarHBondContact O-N 3.17Å
454L98.3Very high96.8Very high1 Ų120.5 Ų20.51%0.00513%0.132CC..Hα-helixtrans-65.3-46.6173175.854.2000112.3I394 V397 L418 I430 M450 V451 H452 E456 G457 F458I394-L454 HydrophobicContact CD1-CD2 4.42Å; V397-L454 HydrophobicContact CB-CD1 3.97Å; V397-L454 HydrophobicContact CG1-CD1 4.01Å; V397-L454 HydrophobicContact CG2-CB 3.95Å; V397-L454 HydrophobicContact CG2-CD1 3.78Å; V397-L454 HydrophobicContact CG2-CG 4.35Å; L418-L454 HydrophobicContact CD1-CD1 3.91Å; L418-L454 HydrophobicContact CD1-CD2 4.29Å; I430-L454 HydrophobicContact CD1-CD2 3.31Å; I430-L454 HydrophobicContact CD1-CG 4.43Å; I430-L454 HydrophobicContact CG2-CD2 4.32Å; M450-L454 PolarHBondContact O-N 2.76Å; M450-L454 VanDerWaalsContact O-N 3.09Å; V451-L454 PolarHBondContact O-N 3.48Å; H452-L454 VanDerWaalsContact C-N 3.3Å; H452-L454 PolarHBondContact O-N 2.95Å; L454-E456 VanDerWaalsContact C-N 3.33Å; L454-E456 PolarHBondContact O-N 3.5Å; L454-G457 PolarHBondContact O-N 3.48Å; L454-F458 HydrophobicContact CD1-CD1 4.4Å; L454-F458 HydrophobicContact CD1-CD2 4.08Å; L454-F458 HydrophobicContact CD1-CE1 4.05Å; L454-F458 HydrophobicContact CD1-CE2 3.69Å; L454-F458 HydrophobicContact CD1-CG 4.42Å; L454-F458 HydrophobicContact CD1-CZ 3.69Å; L454-F458 HydrophobicContact CG-CE2 4.28Å; L454-F458 PolarHBondContact O-N 2.56Å
455I98.4Very high97Very high0 Ų025.3 Ų25.30%015%0.154CC..Hα-helixtrans-58.2-47.7176.3-70.1163.2000110.2V451 H452 F458 R459 A470 L473 A474 L528 Y532V451-I455 HydrophobicContact CG1-CD1 3.83Å; V451-I455 WeakPolarHBondContact O-CD1 3.24Å; V451-I455 VanDerWaalsContact O-CG1 3.3Å; V451-I455 WeakPolarHBondContact O-CG1 3.42Å; V451-I455 PolarHBondContact O-N 3.04Å; H452-I455 PolarHBondContact O-N 2.75Å; I455-F458 PolarHBondContact O-N 2.67Å; I455-R459 VanDerWaalsContact O-CB 3.31Å; I455-R459 WeakPolarHBondContact O-CB 3.34Å; I455-R459 PolarHBondContact O-N 3.29Å; I455-A470 HydrophobicContact CG2-CB 4.27Å; I455-A470 WeakPolarHBondContact O-CB 3.45Å; I455-L473 HydrophobicContact CD1-CB 4.42Å; I455-L473 HydrophobicContact CG1-CB 3.92Å; I455-A474 HydrophobicContact CD1-CB 4.14Å; I455-A474 HydrophobicContact CG2-CB 4.15Å; I455-L528 HydrophobicContact CD1-CD1 4.13Å; I455-L528 HydrophobicContact CD1-CD2 4.15Å; I455-L528 HydrophobicContact CG2-CD2 3.91Å; I455-Y532 HydrophobicContact CG2-CE2 4.01Å
456E98.1Very high97Very high13 Ų1325.1 Ų25.16%0.06115%0.153CC..Hα-helixtrans-66.8-36.8179.3-75.3-62.8108.500112.4Y401 H452 L454 F458 R459 T460 K531Y401-E456 HydrophobicContact CD2-CB 3.81Å; Y401-E456 HydrophobicContact CE2-CB 3.99Å; H452-E456 PolarHBondContact O-N 2.85Å; L454-E456 VanDerWaalsContact C-N 3.33Å; L454-E456 PolarHBondContact O-N 3.5Å; E456-F458 PolarHBondContact O-N 3.4Å; E456-R459 PolarHBondContact O-N 3.37Å; E456-R459 IonicContact OE1-CZ 2.8Å; E456-R459 IonicContact OE1-NE 3.64Å; E456-R459 PolarHBondContact OE1-NE 2.86Å; E456-R459 IonicContact OE1-NH2 3.79Å; E456-R459 IonicContact OE2-CZ 3.91Å; E456-R459 IonicContact OE2-NE 3.78Å; E456-R459 PolarHBondContact OE2-NE 2.87Å; E456-R459 IonicContact OE2-NH2 3.59Å; E456-R459 PolarHBondContact OE2-NH2 2.64Å; E456-T460 WeakPolarHBondContact O-CB 3.23Å; E456-T460 WeakPolarHBondContact O-CG2 3.33Å; E456-T460 PolarHBondContact O-N 3.22Å; E456-T460 PolarHBondContact O-OG1 2.81Å; E456-K531 VanDerWaalsContact OE1-CD 3.23Å; E456-K531 WeakPolarHBondContact OE1-CD 3.04Å; E456-K531 VanDerWaalsContact OE1-CE 3.26Å; E456-K531 WeakPolarHBondContact OE1-CE 3.46Å; E456-K531 WeakPolarHBondContact OE2-CE 3.18Å
457G98.1Very high97.1Very high1 Ų127.8 Ų27.81%0.0117%0.169CC..Hα-helixtrans-60.1-43.1174.400000112.4M453 L454 S461M453-G457 PolarHBondContact O-N 3.17Å; L454-G457 PolarHBondContact O-N 3.48Å; G457-S461 PolarHBondContact O-N 3.24Å
458F98.1Very high97Very high0 Ų030.3 Ų30.30%019%0.191CC..Hα-helixtrans-70.4-43.9173.8-73.3-18.8000113L400 F415 L418 F424 L454 I455 E456 T460 S461 L466 A470 L473L400-F458 HydrophobicContact CD1-CD1 3.91Å; L400-F458 HydrophobicContact CD1-CE1 3.66Å; F415-F458 HydrophobicContact CB-CE1 4.18Å; F415-F458 HydrophobicContact CB-CZ 4Å; F415-F458 AromaticContact CD2-CE2 3.87Å; F415-F458 HydrophobicContact CD2-CE2 3.87Å; F415-F458 AromaticContact CD2-CZ 3.76Å; F415-F458 HydrophobicContact CD2-CZ 3.76Å; F415-F458 HydrophobicContact CG-CZ 4.39Å; L418-F458 HydrophobicContact CD1-CZ 3.83Å; F424-F458 HydrophobicContact CE1-CE2 4.39Å; F424-F458 AromaticContact CZ-CE2 3.9Å; F424-F458 HydrophobicContact CZ-CE2 3.9Å; F424-F458 HydrophobicContact CZ-CZ 4.17Å; L454-F458 HydrophobicContact CD1-CD1 4.4Å; L454-F458 HydrophobicContact CD1-CD2 4.08Å; L454-F458 HydrophobicContact CD1-CE1 4.05Å; L454-F458 HydrophobicContact CD1-CE2 3.69Å; L454-F458 HydrophobicContact CD1-CG 4.42Å; L454-F458 HydrophobicContact CD1-CZ 3.69Å; L454-F458 HydrophobicContact CG-CE2 4.28Å; L454-F458 PolarHBondContact O-N 2.56Å; I455-F458 PolarHBondContact O-N 2.67Å; E456-F458 PolarHBondContact O-N 3.4Å; F458-T460 PolarHBondContact O-N 2.75Å; F458-S461 WeakPolarHBondContact O-CB 3.38Å; F458-S461 PolarHBondContact O-N 2.98Å; F458-S461 PolarHBondContact O-OG 2.94Å; F458-L466 HydrophobicContact CB-CB 4.26Å; F458-L466 HydrophobicContact CD1-CB 4.46Å; F458-L466 HydrophobicContact CD1-CD1 4.27Å; F458-L466 HydrophobicContact CD1-CD2 4.43Å; F458-L466 HydrophobicContact CE1-CD2 4.43Å; F458-L466 HydrophobicContact CG-CB 4.46Å; F458-A470 HydrophobicContact CB-CB 3.8Å; F458-L473 HydrophobicContact CD2-CD1 3.97Å; F458-L473 HydrophobicContact CE2-CD1 3.96Å
459R97.6Very high96.9Very high85 Ų8531.6 Ų31.632%0.32120%0.2SC..Hα-helixtrans-60.4-34.1179.9-167.9-168.964.772.6-0.7112.5I455 E456 A470 Y532I455-R459 VanDerWaalsContact O-CB 3.31Å; I455-R459 WeakPolarHBondContact O-CB 3.34Å; I455-R459 PolarHBondContact O-N 3.29Å; E456-R459 PolarHBondContact O-N 3.37Å; E456-R459 IonicContact OE1-CZ 2.8Å; E456-R459 IonicContact OE1-NE 3.64Å; E456-R459 PolarHBondContact OE1-NE 2.86Å; E456-R459 IonicContact OE1-NH2 3.79Å; E456-R459 IonicContact OE2-CZ 3.91Å; E456-R459 IonicContact OE2-NE 3.78Å; E456-R459 PolarHBondContact OE2-NE 2.87Å; E456-R459 IonicContact OE2-NH2 3.59Å; E456-R459 PolarHBondContact OE2-NH2 2.64Å; R459-A470 HydrophobicContact CB-CB 3.94Å; R459-Y532 VanDerWaalsContact CD-OH 3.27Å; R459-Y532 WeakPolarHBondContact CD-OH 3.41Å; R459-Y532 WeakPolarHBondContact CG-OH 3.33Å
460T96.1Very high96.9Very high61 Ų6131.6 Ų31.637%0.37420%0.2SC..THydrogen-bonded Turntrans-99.15.4-176.660.70000114E456 F458 G462E456-T460 WeakPolarHBondContact O-CB 3.23Å; E456-T460 WeakPolarHBondContact O-CG2 3.33Å; E456-T460 PolarHBondContact O-N 3.22Å; E456-T460 PolarHBondContact O-OG1 2.81Å; F458-T460 PolarHBondContact O-N 2.75Å; T460-G462 VanDerWaalsContact C-N 3.28Å; T460-G462 PolarHBondContact O-N 2.8Å
461S95.3Very high96.8Very high23 Ų2335.2 Ų35.216%0.16122%0.217CC..SBendtrans-68-23.518064.90000114.3G457 F458 D463G457-S461 PolarHBondContact O-N 3.24Å; F458-S461 WeakPolarHBondContact O-CB 3.38Å; F458-S461 PolarHBondContact O-N 2.98Å; F458-S461 PolarHBondContact O-OG 2.94Å; S461-D463 PolarHBondContact O-N 3.37Å; S461-D463 PolarHBondContact OG-N 3.5Å
462G91.1Very high96.7Very high67 Ų6740.4 Ų40.469%0.69124%0.241SC*.SBendtrans82.6-6.9-172.200000114.3T460T460-G462 VanDerWaalsContact C-N 3.28Å; T460-G462 PolarHBondContact O-N 2.8Å
463D93.9Very high96.6Very high37 Ų3741.1 Ų41.120%0.19824%0.244CC..  trans-83.6121.5174.7-178-31.4000109.9S412 S461 D465 L466 T467S412-D463 PolarHBondContact OG-OD2 3.33Å; S461-D463 PolarHBondContact O-N 3.37Å; S461-D463 PolarHBondContact OG-N 3.5Å; D463-D465 VanDerWaalsContact C-N 3.34Å; D463-D465 PolarHBondContact O-N 3.35Å; D463-D465 WeakPolarHBondContact OD1-CB 3.26Å; D463-D465 PolarHBondContact OD1-N 2.74Å; D463-L466 HydrophobicContact CB-CB 4.01Å; D463-L466 HydrophobicContact CB-CD1 3.91Å; D463-L466 HydrophobicContact CB-CG 3.89Å; D463-L466 PolarHBondContact O-N 2.7Å; D463-L466 PolarHBondContact OD1-N 3.16Å; D463-T467 WeakPolarHBondContact O-CB 3.36Å; D463-T467 PolarHBondContact O-N 3.36Å; D463-T467 PolarHBondContact O-OG1 3.26Å
464P95.2Very high96.5Very high101 Ų10141 Ų4166%0.65624%0.244SC*.Hα-helixtrans-60.1-37178.9-24.935.1000114.4T467 A468P464-T467 PolarHBondContact O-N 3.41Å; P464-A468 PolarHBondContact O-N 2.78Å
465D96.1Very high96.4Very high126 Ų12642.4 Ų42.467%0.67425%0.252SS*.Hα-helixtrans-71.5-37.7-178.8-70.7-25.1000110.6D463 A468 S469D463-D465 VanDerWaalsContact C-N 3.34Å; D463-D465 PolarHBondContact O-N 3.35Å; D463-D465 WeakPolarHBondContact OD1-CB 3.26Å; D463-D465 PolarHBondContact OD1-N 2.74Å; D465-A468 PolarHBondContact O-N 3.21Å; D465-S469 WeakPolarHBondContact O-CB 3.27Å; D465-S469 PolarHBondContact O-N 3.13Å; D465-S469 PolarHBondContact O-OG 3.3Å
466L97.3Very high96.2Very high4 Ų444.4 Ų44.42%0.02126%0.261CS..Hα-helixtrans-71.4-34.5173.1-60.4-175.9000112.1P411 F415 F458 D463 A468 S469 A470P411-L466 VanDerWaalsContact C-CD1 3.46Å; P411-L466 HydrophobicContact CB-CD1 3.25Å; F415-L466 HydrophobicContact CB-CD2 3.43Å; F415-L466 VanDerWaalsContact CB-CD2 3.43Å; F415-L466 HydrophobicContact CD1-CD2 4.18Å; F415-L466 HydrophobicContact CD2-CD2 3.63Å; F415-L466 HydrophobicContact CE2-CD2 4.44Å; F415-L466 HydrophobicContact CG-CD2 3.47Å; F415-L466 VanDerWaalsContact CG-CD2 3.47Å; F458-L466 HydrophobicContact CB-CB 4.26Å; F458-L466 HydrophobicContact CD1-CB 4.46Å; F458-L466 HydrophobicContact CD1-CD1 4.27Å; F458-L466 HydrophobicContact CD1-CD2 4.43Å; F458-L466 HydrophobicContact CE1-CD2 4.43Å; F458-L466 HydrophobicContact CG-CB 4.46Å; D463-L466 HydrophobicContact CB-CB 4.01Å; D463-L466 HydrophobicContact CB-CD1 3.91Å; D463-L466 HydrophobicContact CB-CG 3.89Å; D463-L466 PolarHBondContact O-N 2.7Å; D463-L466 PolarHBondContact OD1-N 3.16Å; L466-A468 VanDerWaalsContact C-N 3.33Å; L466-A468 PolarHBondContact O-N 3.25Å; L466-S469 CarbonylContact O-C 3.43Å; L466-S469 WeakPolarHBondContact O-CB 3.15Å; L466-S469 PolarHBondContact O-N 3.48Å; L466-A470 WeakPolarHBondContact O-CB 3.45Å; L466-A470 PolarHBondContact O-N 2.67Å
467T97.1Very high96.1Very high56 Ų5643.8 Ų43.834%0.34426%0.259SS..Hα-helixtrans-62-43173.4-57.50000111D463 P464 S469 A470 Q471D463-T467 WeakPolarHBondContact O-CB 3.36Å; D463-T467 PolarHBondContact O-N 3.36Å; D463-T467 PolarHBondContact O-OG1 3.26Å; P464-T467 PolarHBondContact O-N 3.41Å; T467-S469 VanDerWaalsContact C-N 3.34Å; T467-A470 WeakPolarHBondContact O-CB 3.26Å; T467-A470 PolarHBondContact O-N 2.82Å; T467-Q471 PolarHBondContact O-N 3.47Å; T467-Q471 VanDerWaalsContact O-N 3.16Å
468A96.7Very high96Very high56 Ų5643.8 Ų43.846%0.46326%0.258SS..Hα-helixtrans-64.3-39.2173.100000112.1P464 D465 L466 Q471 H472P464-A468 PolarHBondContact O-N 2.78Å; D465-A468 PolarHBondContact O-N 3.21Å; L466-A468 VanDerWaalsContact C-N 3.33Å; L466-A468 PolarHBondContact O-N 3.25Å; A468-Q471 PolarHBondContact O-N 2.68Å; A468-H472 PolarHBondContact O-N 2.77Å
469S96.8Very high95.8Very high26 Ų2645.7 Ų45.718%0.18227%0.267CS..Hα-helixtrans-64.1-39.4175.2-60.20000112F415 D465 L466 T467 Q471 H472 L473F415-S469 WeakPolarHBondContact CE2-OG 3.31Å; D465-S469 WeakPolarHBondContact O-CB 3.27Å; D465-S469 PolarHBondContact O-N 3.13Å; D465-S469 PolarHBondContact O-OG 3.3Å; L466-S469 CarbonylContact O-C 3.43Å; L466-S469 WeakPolarHBondContact O-CB 3.15Å; L466-S469 PolarHBondContact O-N 3.48Å; T467-S469 VanDerWaalsContact C-N 3.34Å; S469-Q471 PolarHBondContact O-N 2.68Å; S469-H472 WeakPolarHBondContact O-CB 3.39Å; S469-H472 PolarHBondContact O-N 2.92Å; S469-L473 WeakPolarHBondContact O-CG 3.17Å; S469-L473 PolarHBondContact O-N 3.1Å
470A97.5Very high95.6Very high0 Ų041.9 Ų41.90%025%0.253CS..Hα-helixtrans-59.9-45.3174.700000111.5I455 F458 R459 L466 T467 H472 L473 A474I455-A470 HydrophobicContact CG2-CB 4.27Å; I455-A470 WeakPolarHBondContact O-CB 3.45Å; F458-A470 HydrophobicContact CB-CB 3.8Å; R459-A470 HydrophobicContact CB-CB 3.94Å; L466-A470 WeakPolarHBondContact O-CB 3.45Å; L466-A470 PolarHBondContact O-N 2.67Å; T467-A470 WeakPolarHBondContact O-CB 3.26Å; T467-A470 PolarHBondContact O-N 2.82Å; A470-H472 VanDerWaalsContact C-N 3.33Å; A470-H472 PolarHBondContact O-N 3.26Å; A470-L473 PolarHBondContact O-N 2.75Å; A470-A474 WeakPolarHBondContact O-CB 3.4Å; A470-A474 PolarHBondContact O-N 2.74Å
471Q96.5Very high95.5Very high80 Ų8039 Ų3937%0.37424%0.236SC..Hα-helixtrans-61.7-41.5174.9-178.8-177.2-21.600111.7T467 A468 S469 A474 T475 Y532 C535T467-Q471 PolarHBondContact O-N 3.47Å; T467-Q471 VanDerWaalsContact O-N 3.16Å; A468-Q471 PolarHBondContact O-N 2.68Å; S469-Q471 PolarHBondContact O-N 2.68Å; Q471-A474 PolarHBondContact O-N 2.81Å; Q471-T475 WeakPolarHBondContact O-CB 3.37Å; Q471-T475 PolarHBondContact O-N 3.3Å; Q471-T475 PolarHBondContact O-OG1 3.39Å; Q471-Y532 HydrophobicContact CB-CD1 4.13Å; Q471-Y532 HydrophobicContact CB-CE1 3.83Å; Q471-Y532 HydrophobicContact CG-CD1 3.96Å; Q471-Y532 HydrophobicContact CG-CE1 4.19Å; Q471-C535 PolarHBondContact NE2-SG 2.9Å; Q471-C535 VanDerWaalsContact NE2-SG 3.39Å
472H95.6Very high95.5Very high111 Ų11138.8 Ų38.851%0.51423%0.232SC..Hα-helixtrans-62.2-47.8177.3-175.664.1000111.8A468 S469 A470 T475 Q476A468-H472 PolarHBondContact O-N 2.77Å; S469-H472 WeakPolarHBondContact O-CB 3.39Å; S469-H472 PolarHBondContact O-N 2.92Å; A470-H472 VanDerWaalsContact C-N 3.33Å; A470-H472 PolarHBondContact O-N 3.26Å; H472-T475 WeakPolarHBondContact O-CB 3.41Å; H472-T475 PolarHBondContact O-N 3.48Å; H472-Q476 PolarHBondContact CD2-NE2 3.31Å; H472-Q476 PolarHBondContact NE2-NE2 2.72Å; H472-Q476 WeakPolarHBondContact O-CG 3.28Å; H472-Q476 PolarHBondContact O-N 3.47Å
473L96.5Very high95.6Very high14 Ų1441.9 Ų41.97%0.07322%0.222CC..Hα-helixtrans-63.4-42.1177.3-68.6177.3000112.1F424 I430 I455 F458 S469 A470 T475 Q476 W477F424-L473 HydrophobicContact CD1-CD1 4.44Å; F424-L473 HydrophobicContact CD1-CD2 3.91Å; F424-L473 HydrophobicContact CE1-CD1 3.89Å; F424-L473 HydrophobicContact CE1-CD2 4.21Å; I430-L473 HydrophobicContact CD1-CD1 3.96Å; I430-L473 HydrophobicContact CD1-CD2 3.89Å; I430-L473 HydrophobicContact CD1-CG 4.47Å; I455-L473 HydrophobicContact CD1-CB 4.42Å; I455-L473 HydrophobicContact CG1-CB 3.92Å; F458-L473 HydrophobicContact CD2-CD1 3.97Å; F458-L473 HydrophobicContact CE2-CD1 3.96Å; S469-L473 WeakPolarHBondContact O-CG 3.17Å; S469-L473 PolarHBondContact O-N 3.1Å; A470-L473 PolarHBondContact O-N 2.75Å; L473-T475 VanDerWaalsContact C-N 3.32Å; L473-T475 PolarHBondContact O-N 3.17Å; L473-Q476 PolarHBondContact O-N 3.12Å; L473-W477 WeakPolarHBondContact O-CB 3.44Å; L473-W477 PolarHBondContact O-N 3.19Å
474A97Very high95.6Very high0 Ų040.1 Ų40.10%021%0.213CC..Hα-helixtrans-59.4-43.9173.800000111.6I455 A470 Q471 W477 L478 L528 Y532I455-A474 HydrophobicContact CD1-CB 4.14Å; I455-A474 HydrophobicContact CG2-CB 4.15Å; A470-A474 WeakPolarHBondContact O-CB 3.4Å; A470-A474 PolarHBondContact O-N 2.74Å; Q471-A474 PolarHBondContact O-N 2.81Å; A474-W477 PolarHBondContact O-N 3.18Å; A474-L478 WeakPolarHBondContact O-CB 3.43Å; A474-L478 WeakPolarHBondContact O-CG 3.26Å; A474-L478 PolarHBondContact O-N 3.04Å; A474-L528 HydrophobicContact CB-CD2 4.15Å; A474-Y532 HydrophobicContact CB-CD2 3.56Å; A474-Y532 HydrophobicContact CB-CE2 3.54Å; A474-Y532 HydrophobicContact CB-CG 4.13Å
475T95.7Very high95.5Very high30 Ų3036.7 Ų36.718%0.18419%0.187CC..Hα-helixtrans-60.5-49176.9-57.80000111.3Q471 H472 L473 W477 L478 H479 V536Q471-T475 WeakPolarHBondContact O-CB 3.37Å; Q471-T475 PolarHBondContact O-N 3.3Å; Q471-T475 PolarHBondContact O-OG1 3.39Å; H472-T475 WeakPolarHBondContact O-CB 3.41Å; H472-T475 PolarHBondContact O-N 3.48Å; L473-T475 VanDerWaalsContact C-N 3.32Å; L473-T475 PolarHBondContact O-N 3.17Å; T475-W477 PolarHBondContact O-N 3.41Å; T475-L478 PolarHBondContact O-N 3.1Å; T475-H479 WeakPolarHBondContact O-CB 3.43Å; T475-H479 PolarHBondContact O-CD2 3.25Å; T475-H479 VanDerWaalsContact O-CD2 3.31Å; T475-H479 VanDerWaalsContact O-CG 3.24Å; T475-H479 PolarHBondContact O-N 3.01Å; T475-V536 HydrophobicContact CG2-CG1 4.18Å; T475-V536 WeakPolarHBondContact OG1-CG2 3.37Å
476Q94.1Very high95.4Very high41 Ų4136 Ų3619%0.19218%0.182CC..Hα-helixtrans-60.5-46.3178.2-71.3-168.218.800112H472 L473 H479 S480H472-Q476 PolarHBondContact CD2-NE2 3.31Å; H472-Q476 PolarHBondContact NE2-NE2 2.72Å; H472-Q476 WeakPolarHBondContact O-CG 3.28Å; H472-Q476 PolarHBondContact O-N 3.47Å; L473-Q476 PolarHBondContact O-N 3.12Å; Q476-H479 PolarHBondContact O-N 3.37Å; Q476-S480 WeakPolarHBondContact O-CB 3.45Å; Q476-S480 PolarHBondContact O-N 3.38Å
477W95.8Very high95.1Very high1 Ų141.3 Ų41.30%0.00421%0.206CC..Hα-helixtrans-62.8-46-180-175.4-113.7000112A446 P448 V451 L473 A474 T475 H479 S480 T481 Y495A446-W477 HydrophobicContact CB-CH2 4.08Å; A446-W477 HydrophobicContact CB-CZ3 3.98Å; P448-W477 HydrophobicContact CB-CZ2 3.95Å; P448-W477 HydrophobicContact CG-CZ2 3.94Å; V451-W477 HydrophobicContact CB-CD2 4.3Å; V451-W477 HydrophobicContact CG1-CB 4.13Å; V451-W477 HydrophobicContact CG1-CD2 3.75Å; V451-W477 HydrophobicContact CG1-CE3 4.09Å; V451-W477 HydrophobicContact CG1-CG 3.76Å; V451-W477 HydrophobicContact CG2-CD2 4.39Å; V451-W477 HydrophobicContact CG2-CE3 4.2Å; V451-W477 HydrophobicContact CG2-CH2 4.2Å; V451-W477 HydrophobicContact CG2-CZ2 4.4Å; V451-W477 HydrophobicContact CG2-CZ3 4.1Å; L473-W477 WeakPolarHBondContact O-CB 3.44Å; L473-W477 PolarHBondContact O-N 3.19Å; A474-W477 PolarHBondContact O-N 3.18Å; T475-W477 PolarHBondContact O-N 3.41Å; W477-H479 VanDerWaalsContact C-N 3.32Å; W477-H479 PolarHBondContact O-N 3.11Å; W477-S480 PolarHBondContact O-N 3.18Å; W477-T481 HydrophobicContact CD2-CG2 4Å; W477-T481 HydrophobicContact CE3-CG2 4.39Å; W477-T481 HydrophobicContact CH2-CG2 4.19Å; W477-T481 HydrophobicContact CZ2-CG2 3.76Å; W477-T481 HydrophobicContact CZ3-CG2 4.48Å; W477-T481 WeakPolarHBondContact O-CB 3.4Å; W477-T481 WeakPolarHBondContact O-CG2 3.34Å; W477-T481 PolarHBondContact O-N 2.95Å; W477-T481 PolarHBondContact O-OG1 3.33Å; W477-Y495 AromaticContact CH2-CD2 3.85Å; W477-Y495 HydrophobicContact CH2-CD2 3.85Å; W477-Y495 HydrophobicContact CH2-CG 4.14Å; W477-Y495 HydrophobicContact CZ2-CD2 4.07Å
478L96.3Very high94.9Very high0 Ų041.1 Ų41.10%021%0.205CC..Hα-helixtrans-59.7-41.2174.6-72.3170.7000111.5W104 A474 T475 T481 Y482 I525 L528 L529 V536W104-L478 HydrophobicContact CZ3-CD2 4.22Å; A474-L478 WeakPolarHBondContact O-CB 3.43Å; A474-L478 WeakPolarHBondContact O-CG 3.26Å; A474-L478 PolarHBondContact O-N 3.04Å; T475-L478 PolarHBondContact O-N 3.1Å; L478-T481 PolarHBondContact O-OG1 2.99Å; L478-Y482 WeakPolarHBondContact O-CB 3.36Å; L478-Y482 PolarHBondContact O-N 3.33Å; L478-I525 HydrophobicContact CD2-CD1 3.92Å; L478-I525 HydrophobicContact CD2-CG2 3.95Å; L478-L528 HydrophobicContact CD1-CB 4.38Å; L478-L528 HydrophobicContact CD2-CB 4.12Å; L478-L528 HydrophobicContact CG-CB 4.39Å; L478-L529 HydrophobicContact CD1-CD2 3.99Å; L478-L529 HydrophobicContact CD2-CD2 3.91Å; L478-L529 HydrophobicContact CD2-CG 3.84Å; L478-V536 HydrophobicContact CD1-CG1 4.19Å; L478-V536 HydrophobicContact CD1-CG2 4.38Å
479H94.2Very high94.7Very high40 Ų4044.6 Ų44.619%0.18522%0.215CC..Hα-helixtrans-64.8-47.1177.1-75.7-169.4000112.5T475 Q476 W477 R483 T537 A539T475-H479 WeakPolarHBondContact O-CB 3.43Å; T475-H479 PolarHBondContact O-CD2 3.25Å; T475-H479 VanDerWaalsContact O-CD2 3.31Å; T475-H479 VanDerWaalsContact O-CG 3.24Å; T475-H479 PolarHBondContact O-N 3.01Å; Q476-H479 PolarHBondContact O-N 3.37Å; W477-H479 VanDerWaalsContact C-N 3.32Å; W477-H479 PolarHBondContact O-N 3.11Å; H479-R483 WeakPolarHBondContact O-CB 3.24Å; H479-R483 VanDerWaalsContact O-CG 3.3Å; H479-R483 WeakPolarHBondContact O-CG 3.31Å; H479-R483 PolarHBondContact O-N 2.84Å; H479-T537 PolarHBondContact NE2-O 3.16Å; H479-A539 HydrophobicContact CB-CB 3.96Å
480S93Very high94.5Very high5 Ų544.2 Ų44.24%0.03521%0.214CC..Hα-helixtrans-61.5-51.1-178.9-176.50000111.3R428 Q476 W477 R483 A484R428-S480 WeakPolarHBondContact CA-OG 3.48Å; R428-S480 WeakPolarHBondContact O-CB 3.48Å; R428-S480 PolarHBondContact O-OG 3.29Å; Q476-S480 WeakPolarHBondContact O-CB 3.45Å; Q476-S480 PolarHBondContact O-N 3.38Å; W477-S480 PolarHBondContact O-N 3.18Å; S480-R483 PolarHBondContact O-N 3.41Å; S480-A484 PolarHBondContact O-N 3.37Å
481T94.9Very high94.4Very high0 Ų044.2 Ų44.20%021%0.214CC..Hα-helixtrans-69.3-35.8-179.752.40000112.6W104 W477 L478 A484 Y485 Y495 I525W104-T481 WeakPolarHBondContact CH2-OG1 3.45Å; W477-T481 HydrophobicContact CD2-CG2 4Å; W477-T481 HydrophobicContact CE3-CG2 4.39Å; W477-T481 HydrophobicContact CH2-CG2 4.19Å; W477-T481 HydrophobicContact CZ2-CG2 3.76Å; W477-T481 HydrophobicContact CZ3-CG2 4.48Å; W477-T481 WeakPolarHBondContact O-CB 3.4Å; W477-T481 WeakPolarHBondContact O-CG2 3.34Å; W477-T481 PolarHBondContact O-N 2.95Å; W477-T481 PolarHBondContact O-OG1 3.33Å; L478-T481 PolarHBondContact O-OG1 2.99Å; T481-A484 PolarHBondContact O-N 3.37Å; T481-Y485 WeakPolarHBondContact O-CB 3.38Å; T481-Y485 PolarHBondContact O-N 3.44Å; T481-Y495 HydrophobicContact CG2-CD1 4.25Å; T481-Y495 HydrophobicContact CG2-CD2 4.21Å; T481-Y495 HydrophobicContact CG2-CE1 3.96Å; T481-Y495 HydrophobicContact CG2-CE2 3.94Å; T481-Y495 HydrophobicContact CG2-CG 4.37Å; T481-I525 HydrophobicContact CG2-CD1 4.2Å; T481-I525 WeakPolarHBondContact OG1-CD1 3.3Å
482Y94.9Very high94.4Very high19 Ų1941.4 Ų41.48%0.07520%0.201CC..Hα-helixtrans-63.7-44172.4-179.1-115.7000111.8L101 W104 L478 Y485 M486 A538L101-Y482 HydrophobicContact CD2-CD2 4.47Å; L101-Y482 HydrophobicContact CD2-CG 4.33Å; W104-Y482 HydrophobicContact CB-CD2 4.15Å; W104-Y482 HydrophobicContact CB-CE2 3.97Å; W104-Y482 AromaticContact CD2-CD2 3.54Å; W104-Y482 HydrophobicContact CD2-CD2 3.54Å; W104-Y482 HydrophobicContact CD2-CE2 4.25Å; W104-Y482 HydrophobicContact CD2-CG 4.48Å; W104-Y482 AromaticContact CE3-CD2 3.6Å; W104-Y482 HydrophobicContact CE3-CD2 3.6Å; W104-Y482 HydrophobicContact CE3-CE2 4.5Å; W104-Y482 HydrophobicContact CE3-CG 4.19Å; W104-Y482 AromaticContact CG-CD2 3.8Å; W104-Y482 HydrophobicContact CG-CD2 3.8Å; W104-Y482 HydrophobicContact CG-CE2 4.04Å; W104-Y482 HydrophobicContact CZ3-CD2 4.14Å; W104-Y482 HydrophobicContact CZ3-CG 4.33Å; L478-Y482 WeakPolarHBondContact O-CB 3.36Å; L478-Y482 PolarHBondContact O-N 3.33Å; Y482-Y485 PolarHBondContact O-N 2.81Å; Y482-M486 HydrophobicContact CD1-CG 4.23Å; Y482-M486 HydrophobicContact CD2-CG 4.14Å; Y482-M486 HydrophobicContact CE1-CG 3.81Å; Y482-M486 HydrophobicContact CE2-CG 3.71Å; Y482-M486 HydrophobicContact CE2-SD 3.82Å; Y482-M486 HydrophobicContact CG-CG 4.38Å; Y482-M486 WeakPolarHBondContact O-CB 3.13Å; Y482-M486 VanDerWaalsContact O-CG 3.29Å; Y482-M486 WeakPolarHBondContact O-CG 3.36Å; Y482-M486 PolarHBondContact O-N 3.43Å; Y482-M486 PolarHBondContact OH-SD 2.95Å; Y482-A538 HydrophobicContact CE1-CB 4.17Å
483R92.8Very high94.4Very high132 Ų13236.3 Ų36.350%0.49818%0.177SC..Hα-helixtrans-62.5-43.6175.9-76177.8-177.3163.52.4111.8H479 S480 Y485 M486 H487 P504 A539H479-R483 WeakPolarHBondContact O-CB 3.24Å; H479-R483 VanDerWaalsContact O-CG 3.3Å; H479-R483 WeakPolarHBondContact O-CG 3.31Å; H479-R483 PolarHBondContact O-N 2.84Å; S480-R483 PolarHBondContact O-N 3.41Å; R483-Y485 VanDerWaalsContact C-N 3.32Å; R483-Y485 PolarHBondContact O-N 3.36Å; R483-M486 PolarHBondContact O-N 3.45Å; R483-H487 WeakPolarHBondContact O-CB 3.41Å; R483-H487 PolarHBondContact O-N 3Å; R483-P504 HydrophobicContact CB-CG 4.21Å; R483-A539 HydrophobicContact CG-CB 4.27Å
484A93.2Very high94.3Very high0 Ų035.6 Ų35.60%017%0.173CC..Hα-helixtrans-57.7-47174.200000111.2S480 T481 H487 T488 Y495 P504S480-A484 PolarHBondContact O-N 3.37Å; T481-A484 PolarHBondContact O-N 3.37Å; A484-H487 PolarHBondContact O-N 2.92Å; A484-T488 WeakPolarHBondContact O-CB 3.47Å; A484-T488 WeakPolarHBondContact O-CG2 3.41Å; A484-T488 PolarHBondContact O-N 3.12Å; A484-T488 PolarHBondContact O-OG1 2.83Å; A484-Y495 HydrophobicContact CB-CD1 4.13Å; A484-Y495 HydrophobicContact CB-CE1 3.65Å; A484-P504 WeakPolarHBondContact CA-O 3.33Å; A484-P504 HydrophobicContact CB-CB 3.95Å; A484-P504 WeakPolarHBondContact CB-O 3.26Å
485Y94.5Very high94.3Very high29 Ų2935.7 Ų35.711%0.11417%0.173CC..Hα-helixtrans-61.1-46.5177.2173.5-98000112W104 T107 T481 Y482 R483 H487 T488 N489 M491W104-Y485 AromaticContact CD1-CD1 3.57Å; W104-Y485 AromaticContact CD1-CE1 3.69Å; W104-Y485 AromaticContact NE1-CD1 3.44Å; W104-Y485 AromaticContact NE1-CD2 3.91Å; W104-Y485 AromaticContact NE1-CE1 3.95Å; W104-Y485 AromaticContact NE1-CG 3.43Å; T107-Y485 VanDerWaalsContact CG2-OH 3.26Å; T107-Y485 WeakPolarHBondContact CG2-OH 3.42Å; T481-Y485 WeakPolarHBondContact O-CB 3.38Å; T481-Y485 PolarHBondContact O-N 3.44Å; Y482-Y485 PolarHBondContact O-N 2.81Å; R483-Y485 VanDerWaalsContact C-N 3.32Å; R483-Y485 PolarHBondContact O-N 3.36Å; Y485-H487 PolarHBondContact O-N 2.65Å; Y485-T488 PolarHBondContact O-N 3.37Å; Y485-N489 WeakPolarHBondContact O-CA 3.33Å; Y485-N489 PolarHBondContact O-N 2.8Å; Y485-M491 HydrophobicContact CD2-CG 4.09Å; Y485-M491 HydrophobicContact CD2-SD 3.62Å; Y485-M491 HydrophobicContact CG-SD 4.03Å
486M92.9Very high94.2Very high113 Ų11335.9 Ų35.956%0.55717%0.173SC*.Hα-helixtrans-63.8-31.3179.8-72.2-59.9-66.200112.9Y482 R483Y482-M486 HydrophobicContact CD1-CG 4.23Å; Y482-M486 HydrophobicContact CD2-CG 4.14Å; Y482-M486 HydrophobicContact CE1-CG 3.81Å; Y482-M486 HydrophobicContact CE2-CG 3.71Å; Y482-M486 HydrophobicContact CE2-SD 3.82Å; Y482-M486 HydrophobicContact CG-CG 4.38Å; Y482-M486 WeakPolarHBondContact O-CB 3.13Å; Y482-M486 VanDerWaalsContact O-CG 3.29Å; Y482-M486 WeakPolarHBondContact O-CG 3.36Å; Y482-M486 PolarHBondContact O-N 3.43Å; Y482-M486 PolarHBondContact OH-SD 2.95Å; R483-M486 PolarHBondContact O-N 3.45Å
487H91.3Very high94.1Very high114 Ų11434.2 Ų34.253%0.52817%0.166SC..Hα-helixtrans-80.3-41.5177.9-176.417.4000112.9R483 A484 Y485 L503R483-H487 WeakPolarHBondContact O-CB 3.41Å; R483-H487 PolarHBondContact O-N 3Å; A484-H487 PolarHBondContact O-N 2.92Å; Y485-H487 PolarHBondContact O-N 2.65Å; H487-L503 WeakPolarHBondContact CD2-CD1 3.41Å; H487-L503 WeakPolarHBondContact NE2-CD1 3.19Å
488T92.3Very high93.7Very high52 Ų5235.6 Ų35.632%0.31918%0.176SC..Hα-helixtrans-103.5-14.4-168.863.90000113.9A484 Y485 A490 F492A484-T488 WeakPolarHBondContact O-CB 3.47Å; A484-T488 WeakPolarHBondContact O-CG2 3.41Å; A484-T488 PolarHBondContact O-N 3.12Å; A484-T488 PolarHBondContact O-OG1 2.83Å; Y485-T488 PolarHBondContact O-N 3.37Å; T488-A490 PolarHBondContact O-N 3.03Å; T488-A490 PolarHBondContact OG1-N 3.4Å; T488-A490 PolarHBondContact OG1-O 3.01Å; T488-F492 HydrophobicContact CG2-CE2 4.05Å; T488-F492 HydrophobicContact CG2-CZ 4Å; T488-F492 WeakPolarHBondContact OG1-CE2 3.15Å
489N92.1Very high92.9Very high129 Ų12940 Ų4069%0.6920%0.199SC*.SBendtrans55.127.2-169-163.460.7000113.4Y485Y485-N489 WeakPolarHBondContact O-CA 3.33Å; Y485-N489 PolarHBondContact O-N 2.8Å
490A93.3Very high91.9Very high18 Ų1844.3 Ų44.315%0.14923%0.228CC..  trans-135150-17700000112.2T488 F492 T516T488-A490 PolarHBondContact O-N 3.03Å; T488-A490 PolarHBondContact OG1-N 3.4Å; T488-A490 PolarHBondContact OG1-O 3.01Å; A490-F492 HydrophobicContact CB-CE1 4.27Å; A490-F492 HydrophobicContact CB-CE2 4.32Å; A490-F492 HydrophobicContact CB-CZ 3.96Å; A490-T516 HydrophobicContact CB-CG2 4.09Å
491M96.1Very high90.6Very high1 Ų147.4 Ų47.41%0.00524%0.244CC..  trans-105.5128.4167.6-62.5-59.2-65.100108W104 L108 M111 Y485 T516 G517 T521 N522 I525W104-M491 HydrophobicContact CZ2-CE 3.84Å; W104-M491 HydrophobicContact CZ2-SD 3.9Å; L108-M491 HydrophobicContact CD2-CE 4.05Å; L108-M491 HydrophobicContact CD2-CG 3.57Å; L108-M491 HydrophobicContact CD2-SD 3.79Å; M111-M491 HydrophobicContact SD-CG 4.1Å; Y485-M491 HydrophobicContact CD2-CG 4.09Å; Y485-M491 HydrophobicContact CD2-SD 3.62Å; Y485-M491 HydrophobicContact CG-SD 4.03Å; M491-T516 VanDerWaalsContact O-CA 3.31Å; M491-T516 WeakPolarHBondContact O-CA 3.48Å; M491-G517 PolarHBondContact O-N 3.39Å; M491-T521 HydrophobicContact CE-CG2 3.57Å; M491-N522 WeakPolarHBondContact CB-OD1 3.5Å; M491-N522 WeakPolarHBondContact CG-OD1 3.3Å; M491-I525 HydrophobicContact CE-CG1 4.09Å
492F95.5Very high89.3Confident21 Ų2156.4 Ų56.49%0.09229%0.286CS..BIsolated β-bridgetrans-102.8154-172.7-61.9-78.1000111.8T488 A490 K494 Y495 V514 T516 T521T488-F492 HydrophobicContact CG2-CE2 4.05Å; T488-F492 HydrophobicContact CG2-CZ 4Å; T488-F492 WeakPolarHBondContact OG1-CE2 3.15Å; A490-F492 HydrophobicContact CB-CE1 4.27Å; A490-F492 HydrophobicContact CB-CE2 4.32Å; A490-F492 HydrophobicContact CB-CZ 3.96Å; F492-K494 WeakPolarHBondContact CB-O 3.32Å; F492-Y495 HydrophobicContact CB-CE1 4.43Å; F492-Y495 HydrophobicContact CB-CE2 4.2Å; F492-Y495 HydrophobicContact CD2-CD1 4.5Å; F492-Y495 AromaticContact CD2-CE1 3.87Å; F492-Y495 HydrophobicContact CD2-CE1 3.87Å; F492-Y495 PolarHBondContact N-OH 3.22Å; F492-V514 HydrophobicContact CD1-CG2 4.02Å; F492-T516 HydrophobicContact CD1-CG2 4.03Å; F492-T516 HydrophobicContact CE1-CG2 4.01Å; F492-T521 WeakPolarHBondContact O-CB 3.45Å; F492-T521 PolarHBondContact O-OG1 3.37Å
493E95.3Very high88.5Confident3 Ų359.6 Ų59.61%0.01430%0.304CS..SBendtrans-57.3-47169.7178.5-172.8-156.800112.2W447 P448 Y512 Q515 F518 W520W447-E493 HydrophobicContact CE3-CG 4.33Å; W447-E493 HydrophobicContact CH2-CG 4.1Å; W447-E493 HydrophobicContact CZ3-CG 3.55Å; P448-E493 VanDerWaalsContact CD-O 3.32Å; P448-E493 WeakPolarHBondContact CD-O 3.06Å; E493-Y512 PolarHBondContact OE1-OH 3.19Å; E493-Q515 HydrophobicContact CB-CB 4.32Å; E493-Q515 PolarHBondContact N-O 2.85Å; E493-Q515 VanDerWaalsContact N-O 3.1Å; E493-F518 HydrophobicContact CB-CD1 4.37Å; E493-F518 HydrophobicContact CB-CD2 3.62Å; E493-F518 HydrophobicContact CB-CE2 3.76Å; E493-F518 HydrophobicContact CB-CG 3.92Å; E493-F518 HydrophobicContact CB-CZ 4.21Å; E493-F518 HydrophobicContact CG-CD1 4.47Å; E493-F518 HydrophobicContact CG-CD2 4.11Å; E493-F518 HydrophobicContact CG-CE1 4.16Å; E493-F518 HydrophobicContact CG-CE2 3.73Å; E493-F518 HydrophobicContact CG-CG 4.44Å; E493-F518 HydrophobicContact CG-CZ 3.76Å; E493-W520 HydrophobicContact CG-CH2 4.47Å; E493-W520 HydrophobicContact CG-CZ2 3.56Å; E493-W520 PolarHBondContact O-NE1 2.89Å
494K96Very high87.9Confident0 Ų053.7 Ų53.70%028%0.283CS..SBendtrans-138.3159.9178.461.9-95.8-173.4175.10111.1W447 F492 G506 G507 V514W447-K494 HydrophobicContact CD2-CB 3.8Å; W447-K494 HydrophobicContact CE3-CB 4.08Å; W447-K494 HydrophobicContact CG-CB 4.3Å; W447-K494 HydrophobicContact CH2-CB 4.38Å; W447-K494 HydrophobicContact CH2-CD 3.62Å; W447-K494 HydrophobicContact CH2-CG 4.44Å; W447-K494 HydrophobicContact CZ2-CB 4.06Å; W447-K494 HydrophobicContact CZ2-CD 3.69Å; W447-K494 HydrophobicContact CZ2-CG 4.12Å; W447-K494 HydrophobicContact CZ3-CB 4.37Å; W447-K494 HydrophobicContact CZ3-CD 4.13Å; F492-K494 WeakPolarHBondContact CB-O 3.32Å; K494-G506 CarbonylContact O-C 3.59Å; K494-G506 WeakPolarHBondContact O-CA 3.22Å; K494-G507 PolarHBondContact O-N 3.2Å; K494-V514 HydrophobicContact CD-CG2 4.5Å
495Y95.6Very high87.5Confident1 Ų155.6 Ų55.60%0.00430%0.297CS..EExtended strand (participates in β ladder)trans-122.6142.4-178.1-70.6-98000111.8N445 A446 P448 W477 T481 A484 F492 T521N445-Y495 CarbonylContact C-O 3.42Å; N445-Y495 WeakPolarHBondContact CA-O 3.2Å; A446-Y495 PolarHBondContact N-O 3.26Å; A446-Y495 PolarHBondContact O-N 2.85Å; P448-Y495 HydrophobicContact CG-CD2 4.43Å; P448-Y495 HydrophobicContact CG-CE2 4.37Å; W477-Y495 AromaticContact CH2-CD2 3.85Å; W477-Y495 HydrophobicContact CH2-CD2 3.85Å; W477-Y495 HydrophobicContact CH2-CG 4.14Å; W477-Y495 HydrophobicContact CZ2-CD2 4.07Å; T481-Y495 HydrophobicContact CG2-CD1 4.25Å; T481-Y495 HydrophobicContact CG2-CD2 4.21Å; T481-Y495 HydrophobicContact CG2-CE1 3.96Å; T481-Y495 HydrophobicContact CG2-CE2 3.94Å; T481-Y495 HydrophobicContact CG2-CG 4.37Å; A484-Y495 HydrophobicContact CB-CD1 4.13Å; A484-Y495 HydrophobicContact CB-CE1 3.65Å; F492-Y495 HydrophobicContact CB-CE1 4.43Å; F492-Y495 HydrophobicContact CB-CE2 4.2Å; F492-Y495 HydrophobicContact CD2-CD1 4.5Å; F492-Y495 AromaticContact CD2-CE1 3.87Å; F492-Y495 HydrophobicContact CD2-CE1 3.87Å; F492-Y495 PolarHBondContact N-OH 3.22Å; Y495-T521 HydrophobicContact CE2-CG2 3.69Å
496N93.7Very high87.4Confident34 Ų3455 Ų5518%0.18230%0.299CS..EExtended strand (participates in β ladder)trans-80.5121.6172-174.1-39.2000109.7S498 S505N496-S498 VanDerWaalsContact OD1-CB 3.26Å; N496-S498 WeakPolarHBondContact OD1-CB 2.87Å; N496-S498 PolarHBondContact OD1-N 3.44Å; N496-S498 PolarHBondContact OD1-OG 2.94Å; N496-S505 PolarHBondContact N-O 2.98Å; N496-S505 VanDerWaalsContact N-O 3.09Å
497V93Very high87.3Confident7 Ų749.9 Ų49.94%0.04228%0.275CS..  trans-103.39.3-179.1-62.50000114S426 R428 P431 A444 A446S426-V497 WeakPolarHBondContact CB-O 3.29Å; S426-V497 PolarHBondContact OG-O 3.41Å; R428-V497 HydrophobicContact CB-CB 4.22Å; R428-V497 HydrophobicContact CB-CG1 4.27Å; P431-V497 HydrophobicContact CB-CG2 3.79Å; A444-V497 VanDerWaalsContact O-CG2 3.25Å; A444-V497 WeakPolarHBondContact O-CG2 3.23Å; A444-V497 PolarHBondContact O-N 3.04Å; A446-V497 HydrophobicContact CB-CB 4.49Å; A446-V497 HydrophobicContact CB-CG1 3.37Å; A446-V497 HydrophobicContact CB-CG2 4.32Å
498S87.3Confident87.4Confident29 Ų2946 Ų4620%0.20327%0.267CS..  trans-68141.6169.873.20000110.9R428 N496 V500R428-S498 WeakPolarHBondContact CD-O 3.22Å; R428-S498 PolarHBondContact NH1-O 2.71Å; N496-S498 VanDerWaalsContact OD1-CB 3.26Å; N496-S498 WeakPolarHBondContact OD1-CB 2.87Å; N496-S498 PolarHBondContact OD1-N 3.44Å; N496-S498 PolarHBondContact OD1-OG 2.94Å; S498-V500 PolarHBondContact O-N 3.32Å
499D78.8Confident87.3Confident93 Ų9345.4 Ų45.450%0.49727%0.271SS..THydrogen-bonded Turntrans-82.64.8174.5-70.6-48.6000113.1R428R428-D499 IonicContact NE-OD1 2.67Å; R428-D499 PolarHBondContact NE-OD1 2.92Å
500V73.7Confident87.2Confident130 Ų13040.8 Ų40.879%0.78825%0.253SS*.THydrogen-bonded Turntrans-76-33.6-175.6-174.70000112.2S498S498-V500 PolarHBondContact O-N 3.32Å
501N65Low86.8Confident70 Ų7042.6 Ų42.637%0.37426%0.258SS..SBendtrans-82.6140.6178.7-66.1-27.1000110.7R428 L503R428-N501 PolarHBondContact NH1-O 2.87Å; R428-N501 PolarHBondContact NH2-O 2.83Å; N501-L503 VanDerWaalsContact C-N 3.27Å; N501-L503 PolarHBondContact O-N 3.08Å
502E67.3Low86.3Confident189 Ų18944.2 Ų44.288%0.88327%0.265SS*.SBendtrans-62.6-31.8-179-72.5-172.3164.200113.4
503L78.9Confident85.8Confident86 Ų8651.2 Ų51.245%0.4530%0.298SS..SBendtrans-128.7142-175.6-66.5166.6000112.1H487 N501 S505H487-L503 WeakPolarHBondContact CD2-CD1 3.41Å; H487-L503 WeakPolarHBondContact NE2-CD1 3.19Å; N501-L503 VanDerWaalsContact C-N 3.27Å; N501-L503 PolarHBondContact O-N 3.08Å; L503-S505 PolarHBondContact O-N 3.02Å
504P79.6Confident85.4Confident9 Ų953.7 Ų53.76%0.05831%0.313CS..  trans-58.7134.1173.2-24.635.2000111.5R483 A484R483-P504 HydrophobicContact CB-CG 4.21Å; A484-P504 WeakPolarHBondContact CA-O 3.33Å; A484-P504 HydrophobicContact CB-CB 3.95Å; A484-P504 WeakPolarHBondContact CB-O 3.26Å
505S86.3Confident85.1Confident40 Ų4054.9 Ų54.928%0.2832%0.319SS..  trans-145.5175.6-178.164.20000111.6N496 L503N496-S505 PolarHBondContact N-O 2.98Å; N496-S505 VanDerWaalsContact N-O 3.09Å; L503-S505 PolarHBondContact O-N 3.02Å
506G90.9Very high84.9Confident15 Ų1558.3 Ų58.316%0.15534%0.34CS..BIsolated β-bridgetrans-58.7147.1171.500000112.4K494K494-G506 CarbonylContact O-C 3.59Å; K494-G506 WeakPolarHBondContact O-CA 3.22Å
507G92.1Very high84.6Confident6 Ų657.1 Ų57.16%0.06234%0.335CS..  trans-71.3-179170.100000112.5N445 K494 V514N445-G507 WeakPolarHBondContact OD1-CA 3.29Å; K494-G507 PolarHBondContact O-N 3.2Å; G507-V514 WeakPolarHBondContact O-CB 3.23Å; G507-V514 WeakPolarHBondContact O-CG2 3.5Å
508G92.5Very high84.7Confident34 Ų3456.8 Ų56.835%0.35133%0.333SS..  trans-146.9-162.3-179.100000113.2N445N445-G508 PolarHBondContact ND2-O 3.36Å; N445-G508 PolarHBondContact OD1-N 2.99Å
509G91Very high85.2Confident39 Ų3955.4 Ų55.440%0.40232%0.323SS..  trans80.8173.9-17900000113.8D438D438-G509 CarbonylContact O-C 3.51Å; D438-G509 VanDerWaalsContact O-CA 3.26Å; D438-G509 WeakPolarHBondContact O-CA 3.48Å
510G89.9Confident86.1Confident31 Ų3151.3 Ų51.332%0.3230%0.301SS..SBendtrans80.7-163.4-175.900000113.8D438D438-G510 PolarHBondContact O-N 3.37Å
511E84.8Confident87.3Confident56 Ų5645.1 Ų45.126%0.26226%0.264SS..SBendtrans-90.7-0.6-17070.4-172.3-169.500114.5R263 S266R263-E511 IonicContact CZ-OE1 2.71Å; R263-E511 IonicContact CZ-OE2 2.8Å; R263-E511 IonicContact NH1-OE1 3.67Å; R263-E511 PolarHBondContact NH1-OE1 3.04Å; R263-E511 IonicContact NH1-OE2 3.86Å; R263-E511 PolarHBondContact NH1-OE2 3.36Å; R263-E511 IonicContact NH2-OE1 2.92Å; R263-E511 IonicContact NH2-OE2 3.84Å; R263-E511 PolarHBondContact NH2-OE2 3.42Å; S266-E511 PolarHBondContact OG-OE1 2.85Å
512Y84.4Confident88.8Confident36 Ų3641.8 Ų41.814%0.14125%0.246CC..SBendtrans-148.5158.9-178.960.2-93.4000113.2F146 Q440 E493 Q515F146-Y512 HydrophobicContact CE2-CE2 4.28Å; F146-Y512 HydrophobicContact CZ-CE1 4.46Å; F146-Y512 AromaticContact CZ-CE2 3.88Å; F146-Y512 HydrophobicContact CZ-CE2 3.88Å; F146-Y512 AromaticContact CZ-CZ 3.75Å; Q440-Y512 PolarHBondContact NE2-OH 2.98Å; Q440-Y512 PolarHBondContact OE1-OH 3.46Å; E493-Y512 PolarHBondContact OE1-OH 3.19Å; Y512-Q515 HydrophobicContact CD2-CG 4.15Å; Y512-Q515 HydrophobicContact CE2-CG 3.99Å
513E86.3Confident90.3Very high167 Ų16732.8 Ų32.878%0.7820%0.204SC*.PPolyproline II helixtrans-64.2151.6178.4-62.9-172.8159.400112.4Q515E513-Q515 PolarHBondContact O-N 3Å; E513-Q515 PolarHBondContact O-NE2 2.94Å
514V86.8Confident91.3Very high55 Ų5528.7 Ų28.733%0.33318%0.182SC..PPolyproline II helixtrans-57.1133178.365.70000112F492 K494 G507F492-V514 HydrophobicContact CD1-CG2 4.02Å; K494-V514 HydrophobicContact CD-CG2 4.5Å; G507-V514 WeakPolarHBondContact O-CB 3.23Å; G507-V514 WeakPolarHBondContact O-CG2 3.5Å
515Q89.9Confident92.2Very high26 Ų2628.3 Ų28.312%0.12118%0.179CC..PPolyproline II helixtrans-95.1150.3-178.2-58.1-61.4-62.500112R145 F146 E493 Y512 E513 F518R145-Q515 HydrophobicContact CG-CG 4.38Å; F146-Q515 HydrophobicContact CD2-CG 4.21Å; F146-Q515 HydrophobicContact CE2-CB 4.28Å; F146-Q515 HydrophobicContact CE2-CG 3.68Å; F146-Q515 HydrophobicContact CZ-CG 4.47Å; E493-Q515 HydrophobicContact CB-CB 4.32Å; E493-Q515 PolarHBondContact N-O 2.85Å; E493-Q515 VanDerWaalsContact N-O 3.1Å; Y512-Q515 HydrophobicContact CD2-CG 4.15Å; Y512-Q515 HydrophobicContact CE2-CG 3.99Å; E513-Q515 PolarHBondContact O-N 3Å; E513-Q515 PolarHBondContact O-NE2 2.94Å; Q515-F518 HydrophobicContact CB-CD2 4.03Å; Q515-F518 HydrophobicContact CB-CE2 3.95Å
516T90.3Very high92.7Very high73 Ų7326.4 Ų26.445%0.44817%0.166SC..BIsolated β-bridgetrans-115.7153.6175.662.30000111.6G144 A490 M491 F492G144-T516 PolarHBondContact N-O 3.44Å; A490-T516 HydrophobicContact CB-CG2 4.09Å; M491-T516 VanDerWaalsContact O-CA 3.31Å; M491-T516 WeakPolarHBondContact O-CA 3.48Å; F492-T516 HydrophobicContact CD1-CG2 4.03Å; F492-T516 HydrophobicContact CE1-CG2 4.01Å
517G87.8Confident93.1Very high8 Ų826.4 Ų26.48%0.08216%0.163CC..SBendtrans152.5-57.3-178.100000110M111 M491 N522M111-G517 WeakPolarHBondContact CE-O 3.38Å; M491-G517 PolarHBondContact O-N 3.39Å; G517-N522 PolarHBondContact O-ND2 3.26Å; G517-N522 PolarHBondContact O-OD1 2.69Å
518F95.1Very high93.4Very high1 Ų126.1 Ų26.10%0.00416%0.16CC..  -104.5133.3-51.5-167.5-83.7000106.8P142 F146 D153 E493 Q515 W520 T521 N522P142-F518 HydrophobicContact CB-CD1 4.25Å; P142-F518 HydrophobicContact CB-CD2 4.39Å; P142-F518 HydrophobicContact CB-CE1 3.59Å; P142-F518 HydrophobicContact CB-CE2 3.78Å; P142-F518 HydrophobicContact CB-CZ 3.34Å; P142-F518 HydrophobicContact CG-CZ 4.45Å; P142-F518 CarbonylContact O-C 3.56Å; P142-F518 VanDerWaalsContact O-CA 3.31Å; P142-F518 WeakPolarHBondContact O-CA 3.5Å; F146-F518 AromaticContact CD2-CE2 3.6Å; F146-F518 HydrophobicContact CD2-CE2 3.6Å; F146-F518 AromaticContact CD2-CZ 3.91Å; F146-F518 HydrophobicContact CD2-CZ 3.91Å; F146-F518 AromaticContact CE2-CE2 3.73Å; F146-F518 HydrophobicContact CE2-CE2 3.73Å; F146-F518 AromaticContact CE2-CZ 3.98Å; F146-F518 HydrophobicContact CE2-CZ 3.98Å; D153-F518 WeakPolarHBondContact OD1-CE1 3.16Å; E493-F518 HydrophobicContact CB-CD1 4.37Å; E493-F518 HydrophobicContact CB-CD2 3.62Å; E493-F518 HydrophobicContact CB-CE2 3.76Å; E493-F518 HydrophobicContact CB-CG 3.92Å; E493-F518 HydrophobicContact CB-CZ 4.21Å; E493-F518 HydrophobicContact CG-CD1 4.47Å; E493-F518 HydrophobicContact CG-CD2 4.11Å; E493-F518 HydrophobicContact CG-CE1 4.16Å; E493-F518 HydrophobicContact CG-CE2 3.73Å; E493-F518 HydrophobicContact CG-CG 4.44Å; E493-F518 HydrophobicContact CG-CZ 3.76Å; Q515-F518 HydrophobicContact CB-CD2 4.03Å; Q515-F518 HydrophobicContact CB-CE2 3.95Å; F518-W520 AromaticContact CD1-CD1 3.48Å; F518-W520 VanDerWaalsContact CD1-CD1 3.48Å; F518-W520 AromaticContact CD1-CD2 3.9Å; F518-W520 HydrophobicContact CD1-CD2 3.9Å; F518-W520 AromaticContact CD1-CE2 3.52Å; F518-W520 AromaticContact CD1-CG 3.75Å; F518-W520 HydrophobicContact CD1-CG 3.75Å; F518-W520 HydrophobicContact CD1-CZ2 4.19Å; F518-W520 AromaticContact CD1-NE1 3.21Å; F518-W520 AromaticContact CE1-CD1 3.91Å; F518-W520 AromaticContact CE1-CD2 3.5Å; F518-W520 HydrophobicContact CE1-CD2 3.5Å; F518-W520 VanDerWaalsContact CE1-CD2 3.5Å; F518-W520 AromaticContact CE1-CE2 3.18Å; F518-W520 HydrophobicContact CE1-CE3 4.18Å; F518-W520 AromaticContact CE1-CG 3.83Å; F518-W520 HydrophobicContact CE1-CG 3.83Å; F518-W520 HydrophobicContact CE1-CH2 4.19Å; F518-W520 AromaticContact CE1-CZ2 3.53Å; F518-W520 HydrophobicContact CE1-CZ2 3.53Å; F518-W520 HydrophobicContact CE1-CZ3 4.49Å; F518-W520 AromaticContact CE1-NE1 3.44Å; F518-W520 HydrophobicContact CZ-CZ2 4.03Å; F518-W520 PolarHBondContact O-N 3.34Å; F518-T521 WeakPolarHBondContact O-CA 3.43Å; F518-T521 WeakPolarHBondContact O-CB 3.08Å; F518-T521 PolarHBondContact O-N 3.25Å; F518-N522 PolarHBondContact O-N 3.11Å; F518-N522 PolarHBondContact O-OD1 3.23Å
519G97.2Very high93.6Very high0 Ų024.6 Ų24.60%014%0.143CC..Hα-helixtrans-51.3-52.5-164.800000114.2W112 P142 I157 T521 G523W112-G519 WeakPolarHBondContact CH2-O 3.47Å; P142-G519 PolarHBondContact O-N 2.98Å; I157-G519 VanDerWaalsContact CG1-C 3.49Å; G519-T521 PolarHBondContact O-N 3.1Å; G519-G523 PolarHBondContact O-N 3.17Å
520W98Very high93.9Very high7 Ų724.7 Ų24.73%0.02714%0.141CC..Hα-helixtrans-65.9-27.5177.361.343000113.1W152 D153 W156 W441 W447 P449 E493 F518 G523 V524W152-W520 AromaticContact CE2-CZ3 3.9Å; W152-W520 AromaticContact CZ2-CZ3 3.93Å; W152-W520 HydrophobicContact CZ2-CZ3 3.93Å; W152-W520 AromaticContact NE1-CZ3 3.68Å; D153-W520 HydrophobicContact CB-CE3 4.24Å; D153-W520 WeakPolarHBondContact OD1-CZ3 3.47Å; W156-W520 HydrophobicContact CB-CB 3.7Å; W156-W520 HydrophobicContact CD2-CB 4.35Å; W156-W520 HydrophobicContact CE3-CB 4.13Å; W156-W520 HydrophobicContact CE3-CE3 4.42Å; W156-W520 HydrophobicContact CG-CB 4.21Å; W441-W520 HydrophobicContact CZ2-CH2 4.17Å; W447-W520 AromaticContact CE3-CH2 3.52Å; W447-W520 HydrophobicContact CE3-CH2 3.52Å; W447-W520 AromaticContact CE3-CZ2 3.21Å; W447-W520 HydrophobicContact CE3-CZ2 3.21Å; W447-W520 AromaticContact CZ3-CH2 3.38Å; W447-W520 HydrophobicContact CZ3-CH2 3.38Å; W447-W520 AromaticContact CZ3-CZ2 3.21Å; W447-W520 HydrophobicContact CZ3-CZ2 3.21Å; P449-W520 HydrophobicContact CG-CB 4.2Å; P449-W520 HydrophobicContact CG-CD2 3.55Å; P449-W520 HydrophobicContact CG-CE3 3.54Å; P449-W520 HydrophobicContact CG-CG 3.82Å; P449-W520 HydrophobicContact CG-CZ3 4.14Å; E493-W520 HydrophobicContact CG-CH2 4.47Å; E493-W520 HydrophobicContact CG-CZ2 3.56Å; E493-W520 PolarHBondContact O-NE1 2.89Å; F518-W520 AromaticContact CD1-CD1 3.48Å; F518-W520 VanDerWaalsContact CD1-CD1 3.48Å; F518-W520 AromaticContact CD1-CD2 3.9Å; F518-W520 HydrophobicContact CD1-CD2 3.9Å; F518-W520 AromaticContact CD1-CE2 3.52Å; F518-W520 AromaticContact CD1-CG 3.75Å; F518-W520 HydrophobicContact CD1-CG 3.75Å; F518-W520 HydrophobicContact CD1-CZ2 4.19Å; F518-W520 AromaticContact CD1-NE1 3.21Å; F518-W520 AromaticContact CE1-CD1 3.91Å; F518-W520 AromaticContact CE1-CD2 3.5Å; F518-W520 HydrophobicContact CE1-CD2 3.5Å; F518-W520 VanDerWaalsContact CE1-CD2 3.5Å; F518-W520 AromaticContact CE1-CE2 3.18Å; F518-W520 HydrophobicContact CE1-CE3 4.18Å; F518-W520 AromaticContact CE1-CG 3.83Å; F518-W520 HydrophobicContact CE1-CG 3.83Å; F518-W520 HydrophobicContact CE1-CH2 4.19Å; F518-W520 AromaticContact CE1-CZ2 3.53Å; F518-W520 HydrophobicContact CE1-CZ2 3.53Å; F518-W520 HydrophobicContact CE1-CZ3 4.49Å; F518-W520 AromaticContact CE1-NE1 3.44Å; F518-W520 HydrophobicContact CZ-CZ2 4.03Å; F518-W520 PolarHBondContact O-N 3.34Å; W520-G523 PolarHBondContact O-N 2.9Å; W520-V524 WeakPolarHBondContact O-CB 3.4Å; W520-V524 VanDerWaalsContact O-CG2 3.25Å; W520-V524 WeakPolarHBondContact O-CG2 3.26Å; W520-V524 PolarHBondContact O-N 3.47Å
521T98.3Very high94.1Very high0 Ų026.4 Ų26.40%014%0.139CC..Hα-helixtrans-75.4-47.6-173.5-550000107.3P448 M491 F492 Y495 F518 G519 G523 V524 I525P448-T521 HydrophobicContact CB-CG2 4.44Å; P448-T521 HydrophobicContact CG-CG2 3.87Å; P448-T521 WeakPolarHBondContact CG-OG1 3.46Å; M491-T521 HydrophobicContact CE-CG2 3.57Å; F492-T521 WeakPolarHBondContact O-CB 3.45Å; F492-T521 PolarHBondContact O-OG1 3.37Å; Y495-T521 HydrophobicContact CE2-CG2 3.69Å; F518-T521 WeakPolarHBondContact O-CA 3.43Å; F518-T521 WeakPolarHBondContact O-CB 3.08Å; F518-T521 PolarHBondContact O-N 3.25Å; G519-T521 PolarHBondContact O-N 3.1Å; T521-G523 PolarHBondContact O-N 2.89Å; T521-V524 PolarHBondContact O-N 3.22Å; T521-I525 HydrophobicContact CG2-CG1 4.48Å; T521-I525 WeakPolarHBondContact O-CB 3Å; T521-I525 VanDerWaalsContact O-CG1 3.23Å; T521-I525 WeakPolarHBondContact O-CG1 3.46Å; T521-I525 PolarHBondContact O-N 3.35Å
522N98.2Very high94.7Very high0 Ų024.5 Ų24.50%013%0.13CC..Hα-helixtrans-56.9-43.9172.8-59.1-1.9000109.8W112 M491 G517 F518 I525 L526W112-N522 HydrophobicContact CH2-CB 3.69Å; W112-N522 HydrophobicContact CZ2-CB 4.07Å; W112-N522 HydrophobicContact CZ3-CB 4.16Å; M491-N522 WeakPolarHBondContact CB-OD1 3.5Å; M491-N522 WeakPolarHBondContact CG-OD1 3.3Å; G517-N522 PolarHBondContact O-ND2 3.26Å; G517-N522 PolarHBondContact O-OD1 2.69Å; F518-N522 PolarHBondContact O-N 3.11Å; F518-N522 PolarHBondContact O-OD1 3.23Å; N522-I525 PolarHBondContact O-N 2.8Å; N522-L526 WeakPolarHBondContact O-CB 3.38Å; N522-L526 VanDerWaalsContact O-CG 3.26Å; N522-L526 WeakPolarHBondContact O-CG 3.31Å; N522-L526 PolarHBondContact O-N 2.81Å
523G98.6Very high95.2Very high0 Ų022.9 Ų22.90%012%0.124CC..Hα-helixtrans-55.4-55.9175.700000114.2W156 G519 W520 T521 I525 L526 D527W156-G523 WeakPolarHBondContact O-CA 3.35Å; G519-G523 PolarHBondContact O-N 3.17Å; W520-G523 PolarHBondContact O-N 2.9Å; T521-G523 PolarHBondContact O-N 2.89Å; G523-I525 PolarHBondContact O-N 3.29Å; G523-L526 PolarHBondContact O-N 3.46Å; G523-D527 WeakPolarHBondContact O-CB 3.28Å; G523-D527 PolarHBondContact O-N 3.08Å
524V98.7Very high95.6Very high0 Ų018.9 Ų18.90%011%0.108CC..Hα-helixtrans-58.8-47.1178.3164.50000111.3W156 P448 H452 W520 T521 D527 L528W156-V524 HydrophobicContact CB-CG2 4.2Å; W156-V524 HydrophobicContact CG-CG2 3.86Å; P448-V524 HydrophobicContact CB-CB 4.09Å; P448-V524 HydrophobicContact CB-CG1 4.16Å; P448-V524 HydrophobicContact CB-CG2 4Å; H452-V524 HydrophobicContact CB-CB 4.4Å; H452-V524 HydrophobicContact CB-CG1 3.85Å; H452-V524 HydrophobicContact CB-CG2 3.7Å; W520-V524 WeakPolarHBondContact O-CB 3.4Å; W520-V524 VanDerWaalsContact O-CG2 3.25Å; W520-V524 WeakPolarHBondContact O-CG2 3.26Å; W520-V524 PolarHBondContact O-N 3.47Å; T521-V524 PolarHBondContact O-N 3.22Å; V524-D527 PolarHBondContact O-N 3.28Å; V524-L528 HydrophobicContact CG1-CD1 3.86Å; V524-L528 HydrophobicContact CG1-CG 4.39Å; V524-L528 WeakPolarHBondContact O-CB 3.48Å; V524-L528 VanDerWaalsContact O-CG 3.28Å; V524-L528 WeakPolarHBondContact O-CG 3.42Å; V524-L528 PolarHBondContact O-N 3.4Å
525I98.3Very high95.9Very high0 Ų019 Ų190%011%0.111CC..Hα-helixtrans-65.6-44.4-177.7-64.7-60.3000111W104 L108 L478 T481 M491 T521 N522 G523 D527 L528 L529W104-I525 HydrophobicContact CD2-CG2 4.46Å; W104-I525 HydrophobicContact CE3-CG2 4.04Å; W104-I525 HydrophobicContact CH2-CB 4.43Å; W104-I525 HydrophobicContact CH2-CD1 4.01Å; W104-I525 HydrophobicContact CH2-CG1 4.12Å; W104-I525 HydrophobicContact CH2-CG2 3.47Å; W104-I525 VanDerWaalsContact CH2-CG2 3.47Å; W104-I525 HydrophobicContact CZ2-CG1 4.48Å; W104-I525 HydrophobicContact CZ2-CG2 3.93Å; W104-I525 HydrophobicContact CZ3-CG2 3.53Å; L108-I525 HydrophobicContact CD1-CB 3.89Å; L108-I525 HydrophobicContact CD1-CG2 3.46Å; L108-I525 VanDerWaalsContact CD1-CG2 3.46Å; L478-I525 HydrophobicContact CD2-CD1 3.92Å; L478-I525 HydrophobicContact CD2-CG2 3.95Å; T481-I525 HydrophobicContact CG2-CD1 4.2Å; T481-I525 WeakPolarHBondContact OG1-CD1 3.3Å; M491-I525 HydrophobicContact CE-CG1 4.09Å; T521-I525 HydrophobicContact CG2-CG1 4.48Å; T521-I525 WeakPolarHBondContact O-CB 3Å; T521-I525 VanDerWaalsContact O-CG1 3.23Å; T521-I525 WeakPolarHBondContact O-CG1 3.46Å; T521-I525 PolarHBondContact O-N 3.35Å; N522-I525 PolarHBondContact O-N 2.8Å; G523-I525 PolarHBondContact O-N 3.29Å; I525-D527 VanDerWaalsContact C-N 3.35Å; I525-D527 PolarHBondContact O-N 3.39Å; I525-L528 PolarHBondContact O-N 3.4Å; I525-L529 HydrophobicContact CG2-CD1 3.82Å; I525-L529 HydrophobicContact CG2-CG 4.29Å; I525-L529 WeakPolarHBondContact O-CB 3.35Å; I525-L529 VanDerWaalsContact O-CG 3.26Å; I525-L529 WeakPolarHBondContact O-CG 3.25Å; I525-L529 PolarHBondContact O-N 2.95Å
526L98.4Very high95.9Very high1 Ų118 Ų181%0.00511%0.106CC..Hα-helixtrans-63.7-41177.3-73.4175.1000112F93 A105 L108 W112 A163 N522 G523 L529 A530F93-L526 HydrophobicContact CE1-CD2 3.99Å; F93-L526 HydrophobicContact CE2-CD2 4.34Å; F93-L526 HydrophobicContact CZ-CD2 3.56Å; A105-L526 HydrophobicContact CB-CD2 3.84Å; L108-L526 HydrophobicContact CB-CD1 4.22Å; L108-L526 HydrophobicContact CB-CD2 4.1Å; L108-L526 HydrophobicContact CB-CG 4.15Å; L108-L526 HydrophobicContact CD1-CD2 4.39Å; L108-L526 HydrophobicContact CD1-CG 4.32Å; W112-L526 HydrophobicContact CZ2-CD1 3.73Å; A163-L526 HydrophobicContact CB-CB 4.22Å; N522-L526 WeakPolarHBondContact O-CB 3.38Å; N522-L526 VanDerWaalsContact O-CG 3.26Å; N522-L526 WeakPolarHBondContact O-CG 3.31Å; N522-L526 PolarHBondContact O-N 2.81Å; G523-L526 PolarHBondContact O-N 3.46Å; L526-L529 PolarHBondContact O-N 3.18Å; L526-A530 WeakPolarHBondContact O-CB 3.41Å; L526-A530 PolarHBondContact O-N 2.96Å
527D98.3Very high95.8Very high15 Ų1518 Ų188%0.0811%0.106CC..Hα-helixtrans-64.4-42.7176.5-175.672.9000112.4K159 H452 G523 V524 I525 A530 K531K159-D527 HydrophobicContact CB-CB 4.05Å; H452-D527 IonicContact CD2-OD2 3.68Å; H452-D527 IonicContact CE1-OD2 3.83Å; H452-D527 IonicContact NE2-OD2 2.73Å; H452-D527 PolarHBondContact NE2-OD2 3.45Å; G523-D527 WeakPolarHBondContact O-CB 3.28Å; G523-D527 PolarHBondContact O-N 3.08Å; V524-D527 PolarHBondContact O-N 3.28Å; I525-D527 VanDerWaalsContact C-N 3.35Å; I525-D527 PolarHBondContact O-N 3.39Å; D527-A530 PolarHBondContact O-N 3Å; D527-K531 WeakPolarHBondContact O-CG 3.27Å; D527-K531 PolarHBondContact O-N 3.28Å; D527-K531 IonicContact OD1-NZ 3.71Å; D527-K531 PolarHBondContact OD1-NZ 3.49Å; D527-K531 IonicContact OD2-NZ 3.65Å; D527-K531 PolarHBondContact OD2-NZ 3.46Å
528L98.1Very high95.6Very high0 Ų017.8 Ų17.80%010%0.104CC..Hα-helixtrans-67.2-40.7175.6-71.1175.9000112I455 A474 L478 V524 I525 A530 K531 Y532I455-L528 HydrophobicContact CD1-CD1 4.13Å; I455-L528 HydrophobicContact CD1-CD2 4.15Å; I455-L528 HydrophobicContact CG2-CD2 3.91Å; A474-L528 HydrophobicContact CB-CD2 4.15Å; L478-L528 HydrophobicContact CD1-CB 4.38Å; L478-L528 HydrophobicContact CD2-CB 4.12Å; L478-L528 HydrophobicContact CG-CB 4.39Å; V524-L528 HydrophobicContact CG1-CD1 3.86Å; V524-L528 HydrophobicContact CG1-CG 4.39Å; V524-L528 WeakPolarHBondContact O-CB 3.48Å; V524-L528 VanDerWaalsContact O-CG 3.28Å; V524-L528 WeakPolarHBondContact O-CG 3.42Å; V524-L528 PolarHBondContact O-N 3.4Å; I525-L528 PolarHBondContact O-N 3.4Å; L528-A530 VanDerWaalsContact C-N 3.31Å; L528-A530 PolarHBondContact O-N 3.4Å; L528-K531 PolarHBondContact O-N 3.47Å; L528-Y532 HydrophobicContact CD2-CD2 4.11Å; L528-Y532 HydrophobicContact CD2-CE2 3.86Å; L528-Y532 WeakPolarHBondContact O-CD2 3.36Å; L528-Y532 PolarHBondContact O-N 3.31Å
529L98Very high94.6Very high1 Ų118.9 Ų18.91%0.00511%0.113CC..Hα-helixtrans-65.5-35.3175.6-74174.1000111.9I96 L101 W104 A105 L478 I525 L526 K531 G533I96-L529 HydrophobicContact CD1-CB 3.88Å; I96-L529 HydrophobicContact CG1-CB 4.33Å; L101-L529 HydrophobicContact CB-CD2 4.07Å; L101-L529 HydrophobicContact CD1-CD2 4.17Å; W104-L529 HydrophobicContact CE3-CD1 4.17Å; A105-L529 HydrophobicContact CB-CD1 3.95Å; L478-L529 HydrophobicContact CD1-CD2 3.99Å; L478-L529 HydrophobicContact CD2-CD2 3.91Å; L478-L529 HydrophobicContact CD2-CG 3.84Å; I525-L529 HydrophobicContact CG2-CD1 3.82Å; I525-L529 HydrophobicContact CG2-CG 4.29Å; I525-L529 WeakPolarHBondContact O-CB 3.35Å; I525-L529 VanDerWaalsContact O-CG 3.26Å; I525-L529 WeakPolarHBondContact O-CG 3.25Å; I525-L529 PolarHBondContact O-N 2.95Å; L526-L529 PolarHBondContact O-N 3.18Å; L529-K531 VanDerWaalsContact C-N 3.29Å; L529-K531 PolarHBondContact O-N 2.87Å; L529-G533 WeakPolarHBondContact O-CA 3.14Å; L529-G533 PolarHBondContact O-N 3.25Å
530A95.9Very high92.9Very high42 Ų4221.5 Ų21.535%0.34714%0.14SC..Hα-helixtrans-64.4-34.4173.800000112.2A163 L526 D527 L528A163-A530 HydrophobicContact CB-CB 4.04Å; L526-A530 WeakPolarHBondContact O-CB 3.41Å; L526-A530 PolarHBondContact O-N 2.96Å; D527-A530 PolarHBondContact O-N 3Å; L528-A530 VanDerWaalsContact C-N 3.31Å; L528-A530 PolarHBondContact O-N 3.4Å
531K95.3Very high90.8Very high67 Ų6723.5 Ų23.529%0.29116%0.155SC..Hα-helixtrans-84.8-36.9-179.1-71.5-178.1176.575.10114.6E456 D527 L528 L529E456-K531 VanDerWaalsContact OE1-CD 3.23Å; E456-K531 WeakPolarHBondContact OE1-CD 3.04Å; E456-K531 VanDerWaalsContact OE1-CE 3.26Å; E456-K531 WeakPolarHBondContact OE1-CE 3.46Å; E456-K531 WeakPolarHBondContact OE2-CE 3.18Å; D527-K531 WeakPolarHBondContact O-CG 3.27Å; D527-K531 PolarHBondContact O-N 3.28Å; D527-K531 IonicContact OD1-NZ 3.71Å; D527-K531 PolarHBondContact OD1-NZ 3.49Å; D527-K531 IonicContact OD2-NZ 3.65Å; D527-K531 PolarHBondContact OD2-NZ 3.46Å; L528-K531 PolarHBondContact O-N 3.47Å; L529-K531 VanDerWaalsContact C-N 3.29Å; L529-K531 PolarHBondContact O-N 2.87Å
532Y96.6Very high88.1Confident16 Ų1627.5 Ų27.56%0.06318%0.183CC..Hα-helixtrans-121.7-1.5-169.7-59.5-75.6000113.8I455 R459 Q471 A474 L528 D534 C535 V536I455-Y532 HydrophobicContact CG2-CE2 4.01Å; R459-Y532 VanDerWaalsContact CD-OH 3.27Å; R459-Y532 WeakPolarHBondContact CD-OH 3.41Å; R459-Y532 WeakPolarHBondContact CG-OH 3.33Å; Q471-Y532 HydrophobicContact CB-CD1 4.13Å; Q471-Y532 HydrophobicContact CB-CE1 3.83Å; Q471-Y532 HydrophobicContact CG-CD1 3.96Å; Q471-Y532 HydrophobicContact CG-CE1 4.19Å; A474-Y532 HydrophobicContact CB-CD2 3.56Å; A474-Y532 HydrophobicContact CB-CE2 3.54Å; A474-Y532 HydrophobicContact CB-CG 4.13Å; L528-Y532 HydrophobicContact CD2-CD2 4.11Å; L528-Y532 HydrophobicContact CD2-CE2 3.86Å; L528-Y532 WeakPolarHBondContact O-CD2 3.36Å; L528-Y532 PolarHBondContact O-N 3.31Å; Y532-D534 PolarHBondContact O-N 2.94Å; Y532-C535 PolarHBondContact O-N 3.03Å; Y532-C535 PolarHBondContact O-SG 3.48Å; Y532-V536 WeakPolarHBondContact O-CB 3.33Å; Y532-V536 WeakPolarHBondContact O-CG2 3.31Å; Y532-V536 PolarHBondContact O-N 2.77Å
533G95.2Very high85.2Confident2 Ų231 Ų312%0.02121%0.208CC..THydrogen-bonded Turntrans-63.3-15.4-174.900000114.6I96 K97 L529I96-G533 CarbonylContact C-O 3.42Å; I96-G533 WeakPolarHBondContact CA-O 3.48Å; K97-G533 PolarHBondContact N-O 3.44Å; L529-G533 WeakPolarHBondContact O-CA 3.14Å; L529-G533 PolarHBondContact O-N 3.25Å
534D94.3Very high82.3Confident82 Ų8238.6 Ų38.644%0.43924%0.241SC..THydrogen-bonded Turntrans-84.9-14.3176.874-37.5000113.5A95 K97 Y532A95-D534 WeakPolarHBondContact O-CA 3.3Å; A95-D534 WeakPolarHBondContact O-CB 3.48Å; A95-D534 PolarHBondContact O-N 3.37Å; K97-D534 VanDerWaalsContact CD-O 3.27Å; K97-D534 WeakPolarHBondContact CD-O 3.45Å; K97-D534 WeakPolarHBondContact CE-O 3.49Å; K97-D534 PolarHBondContact NZ-O 2.73Å; Y532-D534 PolarHBondContact O-N 2.94Å
535C93.2Very high79.5Confident59 Ų5942.5 Ų42.540%0.39927%0.269SS..THydrogen-bonded Turntrans-122-11.7179.466.30000114.4Q471 Y532Q471-C535 PolarHBondContact NE2-SG 2.9Å; Q471-C535 VanDerWaalsContact NE2-SG 3.39Å; Y532-C535 PolarHBondContact O-N 3.03Å; Y532-C535 PolarHBondContact O-SG 3.48Å
536V91Very high76.6Confident4 Ų445.8 Ų45.82%0.02429%0.291CS..  trans-96.6137.9177.7179.70000111L101 T475 L478 Y532L101-V536 HydrophobicContact CD1-CB 4.34Å; L101-V536 HydrophobicContact CD1-CG1 3.78Å; T475-V536 HydrophobicContact CG2-CG1 4.18Å; T475-V536 WeakPolarHBondContact OG1-CG2 3.37Å; L478-V536 HydrophobicContact CD1-CG1 4.19Å; L478-V536 HydrophobicContact CD1-CG2 4.38Å; Y532-V536 WeakPolarHBondContact O-CB 3.33Å; Y532-V536 WeakPolarHBondContact O-CG2 3.31Å; Y532-V536 PolarHBondContact O-N 2.77Å
537T88.4Confident73.8Confident72 Ų7251.3 Ų51.344%0.44232%0.32SS..  trans-111.915617160.20000111.1D98 H479D98-T537 WeakPolarHBondContact OD2-CA 3.38Å; H479-T537 PolarHBondContact NE2-O 3.16Å
538A82.1Confident70.9Confident5 Ų559.8 Ų59.84%0.04135%0.351CS..  trans-64.1144.5177.800000111.5D98 E100 L101 Y482 G540 S541D98-A538 VanDerWaalsContact CG-N 3.28Å; D98-A538 WeakPolarHBondContact OD1-CB 3.48Å; D98-A538 PolarHBondContact OD2-N 3.3Å; E100-A538 HydrophobicContact CB-CB 3.96Å; L101-A538 HydrophobicContact CD2-CB 4.09Å; L101-A538 HydrophobicContact CG-CB 4.05Å; Y482-A538 HydrophobicContact CE1-CB 4.17Å; A538-G540 PolarHBondContact O-N 3.15Å; A538-S541 PolarHBondContact O-N 3.24Å; A538-S541 VanDerWaalsContact O-N 3.08Å; A538-S541 PolarHBondContact O-OG 3.48Å
539A74.6Confident68.1Low24 Ų2466.2 Ų66.220%0.19839%0.385CS..THydrogen-bonded Turntrans-59.2111.9178.600000110.8H479 R483H479-A539 HydrophobicContact CB-CB 3.96Å; R483-A539 HydrophobicContact CG-CB 4.27Å
540G61.7Low65.4Low55 Ų5572.1 Ų72.157%0.56742%0.416SS*.THydrogen-bonded Turntrans101.6-3.6-179.700000116A538 S542A538-G540 PolarHBondContact O-N 3.15Å; G540-S542 VanDerWaalsContact C-N 3.26Å; G540-S542 PolarHBondContact O-N 2.99Å
541S53Low62.9Low49 Ų4974.2 Ų74.234%0.34342%0.424SS..G310 helixtrans-75.6-10.817867.20000114.2D98 A538 S543D98-S541 PolarHBondContact OD2-OG 2.63Å; A538-S541 PolarHBondContact O-N 3.24Å; A538-S541 VanDerWaalsContact O-N 3.08Å; A538-S541 PolarHBondContact O-OG 3.48Å; S541-S543 VanDerWaalsContact C-N 3.3Å; S541-S543 PolarHBondContact O-N 3.35Å
542S42.8Very low60.6Low84 Ų8476.2 Ų76.259%0.58744%0.437SS*.G310 helixtrans-78.62-178.652.80000115.6G540G540-S542 VanDerWaalsContact C-N 3.26Å; G540-S542 PolarHBondContact O-N 2.99Å
543S36.5Very low58.1Low74 Ų7478.4 Ų78.452%0.51745%0.454SS..G310 helixtrans-81-9.7176.165.10000114.5S541S541-S543 VanDerWaalsContact C-N 3.3Å; S541-S543 PolarHBondContact O-N 3.35Å
544F39Very low55.8Low158 Ų15882 Ų8269%0.69348%0.476SS*.THydrogen-bonded Turntrans-107.2-16.9-175.9-86.3-83.3000115.9
545S39Very low53.5Low83 Ų8382.7 Ų82.758%0.5848%0.483SS*.Hα-helixtrans-84.6-30.9-179.367.40000113.4
546S37.3Very low51.1Low68 Ų6885.9 Ų85.948%0.47650%0.495SS..Hα-helixtrans-71.6-28175.949.70000113
547L39.1Very low48.8Very low117 Ų11792.3 Ų92.361%0.61353%0.529SS*.Hα-helixtrans-74.2-32.6175.9-120.182.9000113.1L550 V551L547-L550 PolarHBondContact O-N 3.15Å; L547-V551 WeakPolarHBondContact O-CG2 3.4Å; L547-V551 PolarHBondContact O-N 3.22Å
548R38.4Very low46.8Very low194 Ų19497.6 Ų97.673%0.73255%0.546SS*.Hα-helixtrans-73.4-30.2-179.9-79.3-169.4176-158.40.4113.4I552R548-I552 WeakPolarHBondContact O-CG1 3.48Å; R548-I552 PolarHBondContact O-N 3.34Å
549L39.6Very low44.8Very low135 Ų135102.8 Ų102.871%0.70758%0.581SS**Hα-helixtrans-71.3-32.9174.7-87148.3000112.3S553L549-S553 PolarHBondContact O-N 3.19Å; L549-S553 PolarHBondContact O-OG 3Å
550L41.1Very low43Very low124 Ų124110.1 Ų110.165%0.64961%0.608SS**Hα-helixtrans-73.7-32.2175.6-11695.3000113.6L547 S553 T554L547-L550 PolarHBondContact O-N 3.15Å; L550-S553 PolarHBondContact O-OG 3.1Å; L550-S553 VanDerWaalsContact O-OG 3.07Å; L550-T554 PolarHBondContact O-N 3.21Å; L550-T554 PolarHBondContact O-OG1 2.91Å
551V43.7Very low41.9Very low86 Ų86117 Ų11752%0.52162%0.623SS.*Hα-helixtrans-78.7-31-179.4176.20000111.7L547 T554 V555L547-V551 WeakPolarHBondContact O-CG2 3.4Å; L547-V551 PolarHBondContact O-N 3.22Å; V551-T554 WeakPolarHBondContact CA-OG1 3.49Å; V551-T554 PolarHBondContact O-OG1 3.37Å; V551-V555 WeakPolarHBondContact O-CG2 3.33Å; V551-V555 PolarHBondContact O-N 3Å
552I45.8Very low41.1Very low109 Ų109123.3 Ų123.356%0.55965%0.647SS**Hα-helixtrans-77-32.1176.7-64.5170.2000111.4R548 L556R548-I552 WeakPolarHBondContact O-CG1 3.48Å; R548-I552 PolarHBondContact O-N 3.34Å; I552-L556 HydrophobicContact CG2-CD1 4.09Å; I552-L556 PolarHBondContact O-N 3.07Å
553S44.7Very low41Very low62 Ų62127.3 Ų127.343%0.43466%0.66SS.*Hα-helixtrans-72.8-25.2174.958.90000113.7L549 L550 L557L549-S553 PolarHBondContact O-N 3.19Å; L549-S553 PolarHBondContact O-OG 3Å; L550-S553 PolarHBondContact O-OG 3.1Å; L550-S553 VanDerWaalsContact O-OG 3.07Å; S553-L557 WeakPolarHBondContact O-CD1 3.31Å
554T46.4Very low41.2Very low79 Ų79131 Ų13149%0.48567%0.672SS.*Hα-helixtrans-84.7-29.7177.735.30000113.1L550 V551L550-T554 PolarHBondContact O-N 3.21Å; L550-T554 PolarHBondContact O-OG1 2.91Å; V551-T554 WeakPolarHBondContact CA-OG1 3.49Å; V551-T554 PolarHBondContact O-OG1 3.37Å
555V46.2Very low41.8Very low96 Ų96132.8 Ų132.858%0.58270%0.7SS**Hα-helixtrans-76.7-27.6176.4175.90000112.5V551V551-V555 WeakPolarHBondContact O-CG2 3.33Å; V551-V555 PolarHBondContact O-N 3Å
556L42.5Very low42Very low125 Ų125135.3 Ų135.365%0.65471%0.706SS**THydrogen-bonded Turntrans-79.9-15.5176.4-81.3159.2000114.4I552I552-L556 HydrophobicContact CG2-CD1 4.09Å; I552-L556 PolarHBondContact O-N 3.07Å
557L44.1Very low42.2Very low140 Ų140138.8 Ų138.873%0.73372%0.718SS**THydrogen-bonded Turntrans-86.2-14.8174.6-102.999000114.1S553S553-L557 WeakPolarHBondContact O-CD1 3.31Å
558F44.5Very low42.4Very low183 Ų183140 Ų14080%0.80372%0.724SS**SBendtrans-96.5-1.9-179.4-89.1-82.5000115.1
559C40.9Very low42.6Very low113 Ų113136.8 Ų136.876%0.76472%0.723SS**SBendtrans-107.220178.4-74.60000114.7
560K37.8Very low42.8Very low178 Ų178136.9 Ų136.977%0.77472%0.724SS**SBendtrans-130.340.6179.7-89.3-169.8176.4-178.40113.9
561F38.1Very low42.9Very low199 Ų199137.8 Ų137.887%0.87373%0.729SS**SBendtrans-152.274.3163.8-85.8-74.8000111
562Q36.5Very low42.9Very low183 Ų183141.5 Ų141.586%0.85574%0.744SS**  trans-168.2143.2154.2-109.2165.4-1200106.7
563I39.3Very low42.7Very low167 Ų167144 Ų14486%0.85676%0.758SS**  trans86.9107.5-161.4-45.7156.7000108.7
564I41.5Very low42.5Very low152 Ų152150.8 Ų150.878%0.77979%0.785SS**  -163.8159.556.7-57.4159.2000108.3
565P52.5Low42.2Very low195 Ų195157.4 Ų157.4100%1.26681%0.813SS**  cis-107.20-23.528.2-11.3000113.8

Retrieved 565 of 565 residues in 1498.4 ms (Link to these results)

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