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3-isopropylmalate dehydrogenase

Catalyzes the oxidation of 3-carboxy-2-hydroxy-4-methylpentanoate (3-isopropylmalate) to 3-carboxy-4-methyl-2-oxopentanoate. The product decarboxylates to 4-methyl-2 oxopentanoate.

AlphaFold DB , UniProt , Accession A0A077ZGE6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 837 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
1M83Confident95.8Very high129 Ų12934.4 Ų34.464%0.63515%0.154SC*.  0154.40-81.7-177.8166.100108.3K251 Q255 E257M1-K251 HydrophobicContact CE-CG 4.19Å; M1-K251 HydrophobicContact SD-CD 4.4Å; M1-K251 WeakPolarHBondContact SD-CE 3.43Å; M1-K251 HydrophobicContact SD-CG 4.23Å; M1-Q255 VanDerWaalsContact CB-O 3.25Å; M1-Q255 WeakPolarHBondContact CB-O 3.44Å; M1-Q255 HydrophobicContact CE-CB 4.26Å; M1-Q255 VanDerWaalsContact CG-O 3.24Å; M1-Q255 WeakPolarHBondContact CG-O 3.44Å; M1-E257 HydrophobicContact CB-CG 3.88Å; M1-E257 HydrophobicContact SD-CG 3.93Å
2R91.4Very high95.8Very high84 Ų8433.9 Ų33.932%0.31715%0.15SC..EExtended strand (participates in β ladder)trans-70.5132.8175.9179.7177.354.9163.5-4.4109.1I4 I217 G220 A221 C256 E257R2-I4 HydrophobicContact CG-CD1 4.26Å; R2-I217 VanDerWaalsContact CZ-O 3.25Å; R2-I217 PolarHBondContact NH1-O 3.28Å; R2-I217 PolarHBondContact NH2-O 2.89Å; R2-G220 PolarHBondContact NH1-O 3.3Å; R2-G220 VanDerWaalsContact NH1-O 3.12Å; R2-A221 PolarHBondContact NH1-O 2.67Å; R2-C256 CarbonylContact O-C 3.58Å; R2-C256 WeakPolarHBondContact O-CA 3.44Å; R2-C256 VanDerWaalsContact O-CB 3.27Å; R2-C256 WeakPolarHBondContact O-CB 3.41Å; R2-E257 PolarHBondContact O-N 3.39Å
3K94.6Very high95.8Very high105 Ų10531.6 Ų31.646%0.45714%0.14SC..EExtended strand (participates in β ladder)trans-85.5127.9174.9-169.9174.4-179.2177.50109.5E257 N259K3-E257 CarbonylContact C-O 3.6Å; K3-E257 VanDerWaalsContact CA-O 3.31Å; K3-E257 WeakPolarHBondContact CA-O 3.4Å; K3-N259 VanDerWaalsContact CE-CG 3.48Å; K3-N259 WeakPolarHBondContact CE-ND2 3.42Å; K3-N259 WeakPolarHBondContact CE-OD1 3.41Å; K3-N259 PolarHBondContact NZ-ND2 2.84Å; K3-N259 PolarHBondContact NZ-OD1 3.33Å
4I97.8Very high95.7Very high0 Ų029.4 Ų29.40%013%0.13CC..PPolyproline II helixtrans-99.4123.6174.1-54.2-56.5000108.3R2 F6 I217 N222 V224 L247 C256 E257R2-I4 HydrophobicContact CG-CD1 4.26Å; I4-F6 HydrophobicContact CG2-CE2 4.32Å; I4-I217 HydrophobicContact CD1-CG2 3.85Å; I4-I217 HydrophobicContact CG1-CG2 4.29Å; I4-I217 HydrophobicContact CG2-CD1 4.07Å; I4-I217 HydrophobicContact CG2-CG1 4.49Å; I4-N222 WeakPolarHBondContact CA-O 3.4Å; I4-V224 HydrophobicContact CG2-CG1 4.12Å; I4-L247 HydrophobicContact CB-CD1 4.15Å; I4-L247 HydrophobicContact CG1-CD1 4.07Å; I4-L247 HydrophobicContact CG2-CD1 4.16Å; I4-C256 HydrophobicContact CD1-CB 4.32Å; I4-C256 HydrophobicContact CG1-CB 3.76Å; I4-E257 PolarHBondContact N-O 3.06Å
5Q98Very high95.5Very high60 Ų6029.9 Ų29.928%0.2813%0.133SC..EExtended strand (participates in β ladder)trans-83129.6174.3-69.8-172.5-27.100110.7D40 N222 R223 V224Q5-D40 VanDerWaalsContact CA-OD2 3.29Å; Q5-D40 WeakPolarHBondContact CA-OD2 3.46Å; Q5-D40 HydrophobicContact CB-CB 4.18Å; Q5-D40 HydrophobicContact CG-CB 4.31Å; Q5-N222 PolarHBondContact N-O 3.43Å; Q5-R223 HydrophobicContact CB-CB 4.16Å; Q5-R223 HydrophobicContact CB-CG 4.06Å; Q5-R223 CarbonylContact O-C 3.47Å; Q5-R223 VanDerWaalsContact O-CA 3.28Å; Q5-R223 WeakPolarHBondContact O-CA 3.47Å; Q5-R223 VanDerWaalsContact OE1-NE 3.15Å; Q5-V224 PolarHBondContact O-N 3.02Å
6F98.5Very high95.1Very high0 Ų033.3 Ų33.30%015%0.149CC..EExtended strand (participates in β ladder)trans-91.8124.1170.7-81.7-105.7000109.6I4 V39 D40 V41 V224 L240 V243 A244 L247 I260I4-F6 HydrophobicContact CG2-CE2 4.32Å; F6-V39 WeakPolarHBondContact O-CG1 3.4Å; F6-D40 PolarHBondContact N-OD2 3.22Å; F6-D40 PolarHBondContact O-N 3.19Å; F6-V41 PolarHBondContact O-N 2.99Å; F6-V224 HydrophobicContact CD1-CG1 4.04Å; F6-V224 HydrophobicContact CD2-CG1 4.36Å; F6-V224 HydrophobicContact CE1-CG1 3.97Å; F6-V224 HydrophobicContact CE2-CG1 4.31Å; F6-V224 HydrophobicContact CG-CG1 4.22Å; F6-V224 HydrophobicContact CZ-CG1 4.09Å; F6-L240 HydrophobicContact CD1-CB 4.32Å; F6-L240 HydrophobicContact CD1-CD2 3.99Å; F6-L240 HydrophobicContact CE1-CD2 4.36Å; F6-V243 HydrophobicContact CE1-CB 4.23Å; F6-V243 HydrophobicContact CE1-CG1 4.25Å; F6-V243 HydrophobicContact CZ-CB 4.39Å; F6-V243 HydrophobicContact CZ-CG1 4.01Å; F6-A244 HydrophobicContact CE1-CB 3.73Å; F6-A244 VanDerWaalsContact CZ-CA 3.49Å; F6-A244 HydrophobicContact CZ-CB 3.79Å; F6-L247 HydrophobicContact CE2-CD1 4.13Å; F6-L247 HydrophobicContact CZ-CD1 4.11Å; F6-I260 HydrophobicContact CB-CD1 4.03Å; F6-I260 HydrophobicContact CD1-CD1 4.07Å; F6-I260 HydrophobicContact CD1-CG1 4.17Å; F6-I260 HydrophobicContact CD2-CD1 4.19Å; F6-I260 HydrophobicContact CD2-CG1 3.78Å; F6-I260 HydrophobicContact CE1-CG1 4.38Å; F6-I260 HydrophobicContact CE2-CG1 4.01Å; F6-I260 HydrophobicContact CG-CD1 3.81Å; F6-I260 HydrophobicContact CG-CG1 3.88Å; F6-I260 HydrophobicContact CZ-CG1 4.32Å
7F98.6Very high94.8Very high0 Ų032.6 Ų32.60%015%0.148CC..EExtended strand (participates in β ladder)trans-113.5113.8176.7-176.6-64.2000108.6T9 V41 E43 T70 R223 V224 E225 G226F7-T9 HydrophobicContact CD1-CG2 3.81Å; F7-T9 HydrophobicContact CE1-CG2 3.55Å; F7-V41 CarbonylContact C-O 3.6Å; F7-V41 VanDerWaalsContact CA-O 3.28Å; F7-V41 WeakPolarHBondContact CA-O 3.4Å; F7-V41 HydrophobicContact CB-CB 4.2Å; F7-V41 HydrophobicContact CD2-CB 3.56Å; F7-V41 HydrophobicContact CD2-CG1 3.3Å; F7-V41 HydrophobicContact CD2-CG2 4.27Å; F7-V41 HydrophobicContact CE2-CB 4.23Å; F7-V41 HydrophobicContact CE2-CG1 3.44Å; F7-V41 VanDerWaalsContact CE2-CG1 3.44Å; F7-V41 HydrophobicContact CG-CB 4.05Å; F7-V41 HydrophobicContact CG-CG1 4.14Å; F7-V41 HydrophobicContact CZ-CG1 4.35Å; F7-E43 HydrophobicContact CE1-CB 3.53Å; F7-E43 HydrophobicContact CE1-CG 4.46Å; F7-E43 HydrophobicContact CZ-CB 3.73Å; F7-E43 HydrophobicContact CZ-CG 4.41Å; F7-T70 HydrophobicContact CE2-CG2 4.23Å; F7-T70 HydrophobicContact CZ-CG2 4.05Å; F7-R223 HydrophobicContact CB-CG 4.07Å; F7-V224 WeakPolarHBondContact CB-O 3.3Å; F7-V224 PolarHBondContact N-O 3.1Å; F7-E225 HydrophobicContact CB-CB 4.37Å; F7-E225 HydrophobicContact CB-CG 3.96Å; F7-E225 HydrophobicContact CD1-CB 4.05Å; F7-E225 HydrophobicContact CD1-CG 3.9Å; F7-E225 HydrophobicContact CG-CB 4.46Å; F7-E225 HydrophobicContact CG-CG 3.95Å; F7-E225 VanDerWaalsContact O-CA 3.27Å; F7-E225 WeakPolarHBondContact O-CA 3.35Å; F7-G226 PolarHBondContact O-N 2.89Å
8D98.6Very high94.2Very high0 Ų036.9 Ų36.90%018%0.18CC..EExtended strand (participates in β ladder)trans-93.3128.8180-177.4-86.7000112.1T10 L34 V39 V41 E43 G226 L240D8-T10 VanDerWaalsContact CG-OG1 3.23Å; D8-T10 WeakPolarHBondContact OD1-CB 3.37Å; D8-T10 PolarHBondContact OD1-N 3Å; D8-T10 PolarHBondContact OD1-OG1 3.03Å; D8-T10 PolarHBondContact OD2-OG1 3.31Å; D8-L34 HydrophobicContact CB-CD1 4.08Å; D8-L34 HydrophobicContact CB-CD2 4.29Å; D8-L34 VanDerWaalsContact OD1-CD1 3.24Å; D8-L34 WeakPolarHBondContact OD1-CD1 3.48Å; D8-V39 HydrophobicContact CB-CG1 3.83Å; D8-V39 HydrophobicContact CB-CG2 4.48Å; D8-V41 PolarHBondContact N-O 3.03Å; D8-E43 PolarHBondContact O-N 3.23Å; D8-G226 WeakPolarHBondContact CA-O 3.47Å; D8-L240 HydrophobicContact CB-CD1 3.94Å
9T98.2Very high93.6Very high0 Ų039.4 Ų39.40%022%0.216CC..  trans-109.712.317658.90000112.9F7 L11 R12 D13 G14 E43 E225 G226F7-T9 HydrophobicContact CD1-CG2 3.81Å; F7-T9 HydrophobicContact CE1-CG2 3.55Å; T9-L11 PolarHBondContact O-N 2.8Å; T9-L11 VanDerWaalsContact O-N 3.15Å; T9-R12 CarbonylContact O-C 3.54Å; T9-R12 PolarHBondContact O-N 2.89Å; T9-D13 PolarHBondContact O-N 2.86Å; T9-G14 PolarHBondContact O-N 3.15Å; T9-E43 HydrophobicContact CG2-CB 4.36Å; T9-E225 HydrophobicContact CG2-CB 4.46Å; T9-G226 PolarHBondContact N-O 2.93Å; T9-G226 PolarHBondContact OG1-O 3.29Å; T9-G226 VanDerWaalsContact OG1-O 3.05Å
10T97.8Very high93.4Very high0 Ų038 Ų380%021%0.208CC..THydrogen-bonded Turntrans-55.4-37.7-175.5-59.60000111.8D8 R12 G14 E15 A227 I228 I231 V272D8-T10 VanDerWaalsContact CG-OG1 3.23Å; D8-T10 WeakPolarHBondContact OD1-CB 3.37Å; D8-T10 PolarHBondContact OD1-N 3Å; D8-T10 PolarHBondContact OD1-OG1 3.03Å; D8-T10 PolarHBondContact OD2-OG1 3.31Å; T10-R12 VanDerWaalsContact C-N 3.35Å; T10-R12 PolarHBondContact O-N 2.83Å; T10-G14 CarbonylContact O-C 3.58Å; T10-G14 VanDerWaalsContact O-CA 3.3Å; T10-G14 WeakPolarHBondContact O-CA 3.39Å; T10-E15 PolarHBondContact O-N 2.88Å; T10-A227 WeakPolarHBondContact OG1-CA 3.36Å; T10-I228 PolarHBondContact OG1-N 2.88Å; T10-I231 HydrophobicContact CG2-CD1 3.86Å; T10-I231 HydrophobicContact CG2-CG1 4.41Å; T10-V272 HydrophobicContact CG2-CG1 3.86Å; T10-V272 HydrophobicContact CG2-CG2 4.1Å
11L97.1Very high93.1Very high0 Ų042.4 Ų42.40%023%0.232CC..THydrogen-bonded Turntrans-85.1-0.6-177.6-59.8-172.6000115.3T9 F22 K27 I30 A31 I42 I60T9-L11 PolarHBondContact O-N 2.8Å; T9-L11 VanDerWaalsContact O-N 3.15Å; L11-F22 HydrophobicContact CD2-CD2 4.27Å; L11-K27 HydrophobicContact CD1-CB 4.18Å; L11-K27 VanDerWaalsContact CD1-O 3.31Å; L11-K27 WeakPolarHBondContact CD1-O 3.22Å; L11-K27 HydrophobicContact CD2-CB 4.3Å; L11-K27 HydrophobicContact CD2-CG 4.18Å; L11-K27 PolarHBondContact O-NZ 3.45Å; L11-I30 HydrophobicContact CD1-CG2 4.49Å; L11-I30 HydrophobicContact CD2-CB 3.87Å; L11-I30 HydrophobicContact CD2-CD1 3.8Å; L11-I30 HydrophobicContact CD2-CG1 4.44Å; L11-I30 HydrophobicContact CD2-CG2 3.69Å; L11-I30 HydrophobicContact CG-CG2 4.16Å; L11-A31 HydrophobicContact CD1-CB 4.24Å; L11-I42 HydrophobicContact CD1-CD1 3.63Å; L11-I42 HydrophobicContact CD1-CG1 4.48Å; L11-I42 HydrophobicContact CG-CD1 4.31Å; L11-I60 HydrophobicContact CD1-CD1 3.57Å
12R96.2Very high93.5Very high29 Ų2936.5 Ų36.511%0.10920%0.203CC..THydrogen-bonded Turntrans-128.3-66.3177.1-168.4-73.4-61.4163.31.1111.5T9 T10 E43 F46 L72T9-R12 CarbonylContact O-C 3.54Å; T9-R12 PolarHBondContact O-N 2.89Å; T10-R12 VanDerWaalsContact C-N 3.35Å; T10-R12 PolarHBondContact O-N 2.83Å; R12-E43 HydrophobicContact CB-CB 4.47Å; R12-E43 HydrophobicContact CB-CG 3.87Å; R12-E43 HydrophobicContact CG-CG 4.15Å; R12-E43 IonicContact CZ-OE1 2.72Å; R12-E43 IonicContact NE-OE1 3.43Å; R12-E43 PolarHBondContact NE-OE1 3Å; R12-E43 IonicContact NH2-OE1 2.73Å; R12-E43 PolarHBondContact NH2-OE1 2.93Å; R12-F46 HydrophobicContact CG-CB 4.49Å; R12-L72 HydrophobicContact CG-CD2 4.4Å
13D95.6Very high93.3Very high4 Ų436.1 Ų36.12%0.02121%0.207CC..THydrogen-bonded Turntrans-74.4-42.9179.8-148.7-53.2000110.5T9 E15 Q16 H201 H203 G232 N237T9-D13 PolarHBondContact O-N 2.86Å; D13-E15 VanDerWaalsContact C-N 3.25Å; D13-E15 PolarHBondContact O-N 3.14Å; D13-Q16 VanDerWaalsContact O-CB 3.27Å; D13-Q16 WeakPolarHBondContact O-CB 3.47Å; D13-Q16 PolarHBondContact O-N 3.13Å; D13-H201 IonicContact OD2-CE1 3.36Å; D13-H201 IonicContact OD2-NE2 3.52Å; D13-H201 PolarHBondContact OD2-NE2 3.3Å; D13-H203 IonicContact OD1-CE1 3.3Å; D13-G232 WeakPolarHBondContact O-CA 3.22Å; D13-N237 WeakPolarHBondContact CB-ND2 3.37Å; D13-N237 PolarHBondContact OD1-ND2 3.19Å
14G94.3Very high93.1Very high0 Ų033.6 Ų33.60%020%0.2CC..G310 helixtrans-57.5-37.9176.600000113.4T9 T10 Q16 T17T9-G14 PolarHBondContact O-N 3.15Å; T10-G14 CarbonylContact O-C 3.58Å; T10-G14 VanDerWaalsContact O-CA 3.3Å; T10-G14 WeakPolarHBondContact O-CA 3.39Å; G14-Q16 PolarHBondContact O-N 3.06Å; G14-T17 VanDerWaalsContact O-CB 3.32Å; G14-T17 WeakPolarHBondContact O-CB 3.18Å; G14-T17 PolarHBondContact O-N 3.39Å; G14-T17 VanDerWaalsContact O-N 3.13Å; G14-T17 PolarHBondContact O-OG1 3.04Å
15E92.6Very high92.8Very high38 Ų3841.8 Ų41.818%0.17824%0.236CC..G310 helixtrans-68.5-13.1176.4-167.5170.1-157.600113.6T10 D13 T17 V20 F22 K27T10-E15 PolarHBondContact O-N 2.88Å; D13-E15 VanDerWaalsContact C-N 3.25Å; D13-E15 PolarHBondContact O-N 3.14Å; E15-T17 PolarHBondContact O-N 2.71Å; E15-V20 HydrophobicContact CG-CG1 4.43Å; E15-F22 HydrophobicContact CB-CD2 4.11Å; E15-F22 HydrophobicContact CB-CE2 4.29Å; E15-F22 HydrophobicContact CG-CD2 4.03Å; E15-F22 PolarHBondContact OE1-N 2.73Å; E15-K27 IonicContact OE1-NZ 2.76Å; E15-K27 WeakPolarHBondContact OE2-CE 3.41Å; E15-K27 IonicContact OE2-NZ 3.79Å; E15-K27 PolarHBondContact OE2-NZ 3.5Å
16Q89.4Confident92.5Very high84 Ų8441.2 Ų41.239%0.39323%0.233SC..G310 helixtrans-75.3-6172.1-60-178.1-15.500112.9D13 G14 P18 E233D13-Q16 VanDerWaalsContact O-CB 3.27Å; D13-Q16 WeakPolarHBondContact O-CB 3.47Å; D13-Q16 PolarHBondContact O-N 3.13Å; G14-Q16 PolarHBondContact O-N 3.06Å; Q16-P18 WeakPolarHBondContact O-CD 3.36Å; Q16-E233 HydrophobicContact CB-CG 3.85Å
17T89.2Confident92.4Very high21 Ų2141.4 Ų41.413%0.12923%0.234CC..SBendtrans-58.8126.2170.4-53.30000109.8G14 E15 G19 V20 G232 I278G14-T17 VanDerWaalsContact O-CB 3.32Å; G14-T17 WeakPolarHBondContact O-CB 3.18Å; G14-T17 PolarHBondContact O-N 3.39Å; G14-T17 VanDerWaalsContact O-N 3.13Å; G14-T17 PolarHBondContact O-OG1 3.04Å; E15-T17 PolarHBondContact O-N 2.71Å; T17-G19 PolarHBondContact O-N 3.47Å; T17-G19 VanDerWaalsContact O-N 3.14Å; T17-V20 HydrophobicContact CG2-CG2 3.91Å; T17-V20 WeakPolarHBondContact O-CB 3.36Å; T17-V20 PolarHBondContact O-N 3.27Å; T17-G232 WeakPolarHBondContact OG1-CA 3.34Å; T17-G232 PolarHBondContact OG1-N 3.28Å; T17-G232 PolarHBondContact OG1-O 2.9Å; T17-I278 HydrophobicContact CG2-CD1 4.13Å; T17-I278 HydrophobicContact CG2-CG1 4.26Å
18P84.7Confident92.2Very high111 Ų11142 Ų4272%0.72124%0.238SC*.THydrogen-bonded Turntrans-53.9121.9179.5-28.435.5000112.8Q16Q16-P18 WeakPolarHBondContact O-CD 3.36Å
19G83.4Confident92.1Very high83 Ų8346.5 Ų46.586%0.85626%0.258SS*.THydrogen-bonded Turntrans94.8-9.4179.600000115.1T17T17-G19 PolarHBondContact O-N 3.47Å; T17-G19 VanDerWaalsContact O-N 3.14Å
20V88.3Confident92Very high12 Ų1246.6 Ų46.67%0.07326%0.259CS..  trans-85.4131.2174.8-178.90000109.6E15 T17 F22 I278E15-V20 HydrophobicContact CG-CG1 4.43Å; T17-V20 HydrophobicContact CG2-CG2 3.91Å; T17-V20 WeakPolarHBondContact O-CB 3.36Å; T17-V20 PolarHBondContact O-N 3.27Å; V20-F22 HydrophobicContact CG1-CD2 4.03Å; V20-F22 HydrophobicContact CG1-CE1 4.1Å; V20-F22 HydrophobicContact CG1-CE2 3.48Å; V20-F22 VanDerWaalsContact CG1-CE2 3.48Å; V20-F22 HydrophobicContact CG1-CZ 3.53Å; V20-I278 HydrophobicContact CG2-CD1 4.18Å; V20-I278 HydrophobicContact CG2-CG1 3.78Å
21N87.9Confident92Very high130 Ų13046.6 Ų46.670%0.69526%0.259SS*.  trans-154.3108.2174.4-177-13.5000108.5
22F90.7Very high92Very high6 Ų649.9 Ų49.93%0.02628%0.276CS..  trans-93.7126.4-177.9-59.4-65.9000110.1L11 E15 V20 E26 K27 I30 L275L11-F22 HydrophobicContact CD2-CD2 4.27Å; E15-F22 HydrophobicContact CB-CD2 4.11Å; E15-F22 HydrophobicContact CB-CE2 4.29Å; E15-F22 HydrophobicContact CG-CD2 4.03Å; E15-F22 PolarHBondContact OE1-N 2.73Å; V20-F22 HydrophobicContact CG1-CD2 4.03Å; V20-F22 HydrophobicContact CG1-CE1 4.1Å; V20-F22 HydrophobicContact CG1-CE2 3.48Å; V20-F22 VanDerWaalsContact CG1-CE2 3.48Å; V20-F22 HydrophobicContact CG1-CZ 3.53Å; F22-E26 WeakPolarHBondContact CA-OE2 3.33Å; F22-E26 HydrophobicContact CB-CB 4.23Å; F22-E26 HydrophobicContact CD1-CB 4.34Å; F22-K27 HydrophobicContact CB-CD 4.44Å; F22-K27 HydrophobicContact CB-CG 3.54Å; F22-I30 HydrophobicContact CD1-CD1 3.86Å; F22-I30 HydrophobicContact CE1-CD1 3.61Å; F22-I30 HydrophobicContact CE2-CD1 4.38Å; F22-I30 HydrophobicContact CG-CD1 4.32Å; F22-I30 HydrophobicContact CZ-CD1 3.9Å; F22-L275 HydrophobicContact CD1-CB 4.24Å; F22-L275 HydrophobicContact CE1-CB 3.92Å
23N88.8Confident92.1Very high76 Ų7649.2 Ų49.241%0.40627%0.274SS..  trans-73.6166169.27261.2000111.4K25 E26 K27N23-K25 PolarHBondContact O-N 3.34Å; N23-K25 VanDerWaalsContact O-N 3.12Å; N23-K25 WeakPolarHBondContact OD1-CA 3.22Å; N23-K25 WeakPolarHBondContact OD1-CB 3.47Å; N23-K25 PolarHBondContact OD1-N 2.74Å; N23-E26 PolarHBondContact N-OE2 2.56Å; N23-E26 PolarHBondContact ND2-OE1 3.1Å; N23-E26 PolarHBondContact ND2-OE2 3.06Å; N23-E26 WeakPolarHBondContact O-CB 3.48Å; N23-E26 PolarHBondContact O-N 2.67Å; N23-E26 PolarHBondContact OD1-N 3.31Å; N23-E26 VanDerWaalsContact OD1-N 3.09Å; N23-K27 PolarHBondContact O-N 3.24Å
24T90Very high92.2Very high51 Ų5149 Ų4931%0.31327%0.273SS..Hα-helixtrans-52.8-37.4-178.1-54.50000113.9V28T24-V28 WeakPolarHBondContact O-CB 3.19Å; T24-V28 WeakPolarHBondContact O-CG2 3.48Å; T24-V28 PolarHBondContact O-N 3.23Å; T24-V28 VanDerWaalsContact O-N 3.11Å
25K90.4Very high92.4Very high173 Ų17351 Ų5175%0.75228%0.282SS*.Hα-helixtrans-71.4-41179.8-65.1-178.1178.11790111.3N23 V28 Q29N23-K25 PolarHBondContact O-N 3.34Å; N23-K25 VanDerWaalsContact O-N 3.12Å; N23-K25 WeakPolarHBondContact OD1-CA 3.22Å; N23-K25 WeakPolarHBondContact OD1-CB 3.47Å; N23-K25 PolarHBondContact OD1-N 2.74Å; K25-V28 PolarHBondContact O-N 3.42Å; K25-Q29 WeakPolarHBondContact O-CB 3.18Å; K25-Q29 PolarHBondContact O-N 3.17Å
26E92.9Very high92.6Very high48 Ų4853.4 Ų53.422%0.22429%0.293CS..Hα-helixtrans-63.6-45.8175.9-69.6164.2173.500111.1F22 N23 V28 Q29 I30 L275F22-E26 WeakPolarHBondContact CA-OE2 3.33Å; F22-E26 HydrophobicContact CB-CB 4.23Å; F22-E26 HydrophobicContact CD1-CB 4.34Å; N23-E26 PolarHBondContact N-OE2 2.56Å; N23-E26 PolarHBondContact ND2-OE1 3.1Å; N23-E26 PolarHBondContact ND2-OE2 3.06Å; N23-E26 WeakPolarHBondContact O-CB 3.48Å; N23-E26 PolarHBondContact O-N 2.67Å; N23-E26 PolarHBondContact OD1-N 3.31Å; N23-E26 VanDerWaalsContact OD1-N 3.09Å; E26-V28 VanDerWaalsContact C-N 3.33Å; E26-V28 PolarHBondContact O-N 3.03Å; E26-Q29 PolarHBondContact O-N 3.39Å; E26-Q29 VanDerWaalsContact O-N 3.14Å; E26-I30 WeakPolarHBondContact O-CG1 3.37Å; E26-I30 PolarHBondContact O-N 3.45Å; E26-L275 HydrophobicContact CB-CD1 4.1Å; E26-L275 HydrophobicContact CG-CD1 4.24Å; E26-L275 HydrophobicContact CG-CD2 4.09Å
27K96.3Very high93Very high4 Ų449.5 Ų49.52%0.01727%0.274CS..Hα-helixtrans-57.1-45.2175.3-69.4-165.7172.2-150.10111.9L11 E15 F22 N23 I30 A31 D53 A56 I60L11-K27 HydrophobicContact CD1-CB 4.18Å; L11-K27 VanDerWaalsContact CD1-O 3.31Å; L11-K27 WeakPolarHBondContact CD1-O 3.22Å; L11-K27 HydrophobicContact CD2-CB 4.3Å; L11-K27 HydrophobicContact CD2-CG 4.18Å; L11-K27 PolarHBondContact O-NZ 3.45Å; E15-K27 IonicContact OE1-NZ 2.76Å; E15-K27 WeakPolarHBondContact OE2-CE 3.41Å; E15-K27 IonicContact OE2-NZ 3.79Å; E15-K27 PolarHBondContact OE2-NZ 3.5Å; F22-K27 HydrophobicContact CB-CD 4.44Å; F22-K27 HydrophobicContact CB-CG 3.54Å; N23-K27 PolarHBondContact O-N 3.24Å; K27-I30 PolarHBondContact O-N 2.95Å; K27-A31 WeakPolarHBondContact O-CB 3.36Å; K27-A31 PolarHBondContact O-N 3.01Å; K27-D53 IonicContact NZ-OD1 2.66Å; K27-D53 PolarHBondContact NZ-OD1 3.13Å; K27-A56 HydrophobicContact CD-CB 3.66Å; K27-I60 HydrophobicContact CB-CD1 4.03Å
28V94.7Very high93.4Very high13 Ų1349 Ų498%0.07927%0.274CS..Hα-helixtrans-62.3-44.3175.1164.50000111.9T24 K25 E26 I30 A31 L32 S59 I60T24-V28 WeakPolarHBondContact O-CB 3.19Å; T24-V28 WeakPolarHBondContact O-CG2 3.48Å; T24-V28 PolarHBondContact O-N 3.23Å; T24-V28 VanDerWaalsContact O-N 3.11Å; K25-V28 PolarHBondContact O-N 3.42Å; E26-V28 VanDerWaalsContact C-N 3.33Å; E26-V28 PolarHBondContact O-N 3.03Å; V28-I30 PolarHBondContact O-N 2.67Å; V28-A31 PolarHBondContact O-N 3.14Å; V28-L32 HydrophobicContact CG1-CD1 4.06Å; V28-L32 HydrophobicContact CG1-CG 4.49Å; V28-L32 WeakPolarHBondContact O-CG 3.46Å; V28-L32 PolarHBondContact O-N 2.78Å; V28-S59 WeakPolarHBondContact CG2-OG 3.42Å; V28-I60 HydrophobicContact CG2-CG1 4.05Å
29Q96.1Very high94Very high93 Ų9344 Ų4444%0.43524%0.241SC..Hα-helixtrans-62.7-42.9-179.6-176.7176.8-19.200111.7K25 E26 Q33 L271K25-Q29 WeakPolarHBondContact O-CB 3.18Å; K25-Q29 PolarHBondContact O-N 3.17Å; E26-Q29 PolarHBondContact O-N 3.39Å; E26-Q29 VanDerWaalsContact O-N 3.14Å; Q29-Q33 PolarHBondContact O-N 3.13Å; Q29-Q33 VanDerWaalsContact O-N 3.13Å; Q29-L271 HydrophobicContact CG-CD1 4.24Å; Q29-L271 HydrophobicContact CG-CD2 4.27Å
30I96.6Very high94.7Very high2 Ų241 Ų411%0.0121%0.205CC..Hα-helixtrans-63-46.9173.8-67.6168000109.9L11 F22 E26 K27 V28 L32 Q33 L34 L271 V272 L275L11-I30 HydrophobicContact CD1-CG2 4.49Å; L11-I30 HydrophobicContact CD2-CB 3.87Å; L11-I30 HydrophobicContact CD2-CD1 3.8Å; L11-I30 HydrophobicContact CD2-CG1 4.44Å; L11-I30 HydrophobicContact CD2-CG2 3.69Å; L11-I30 HydrophobicContact CG-CG2 4.16Å; F22-I30 HydrophobicContact CD1-CD1 3.86Å; F22-I30 HydrophobicContact CE1-CD1 3.61Å; F22-I30 HydrophobicContact CE2-CD1 4.38Å; F22-I30 HydrophobicContact CG-CD1 4.32Å; F22-I30 HydrophobicContact CZ-CD1 3.9Å; E26-I30 WeakPolarHBondContact O-CG1 3.37Å; E26-I30 PolarHBondContact O-N 3.45Å; K27-I30 PolarHBondContact O-N 2.95Å; V28-I30 PolarHBondContact O-N 2.67Å; I30-L32 VanDerWaalsContact C-N 3.34Å; I30-L32 PolarHBondContact O-N 2.88Å; I30-Q33 PolarHBondContact O-N 2.98Å; I30-Q33 VanDerWaalsContact O-N 3.1Å; I30-L34 HydrophobicContact CG2-CD1 3.71Å; I30-L34 HydrophobicContact CG2-CG 4.13Å; I30-L34 WeakPolarHBondContact O-CG 3.45Å; I30-L34 PolarHBondContact O-N 3.5Å; I30-L271 HydrophobicContact CG1-CD2 4.47Å; I30-V272 HydrophobicContact CG1-CG2 4.49Å; I30-V272 HydrophobicContact CG2-CG2 4.28Å; I30-L275 HydrophobicContact CD1-CB 4.43Å; I30-L275 HydrophobicContact CD1-CD1 4.05Å; I30-L275 HydrophobicContact CG1-CD1 3.83Å
31A97.7Very high95.2Very high0 Ų040.4 Ų40.40%020%0.202CC..Hα-helixtrans-57.8-43.3179.100000113L11 K27 V28 L34 E35 I42 I60 V64 M67L11-A31 HydrophobicContact CD1-CB 4.24Å; K27-A31 WeakPolarHBondContact O-CB 3.36Å; K27-A31 PolarHBondContact O-N 3.01Å; V28-A31 PolarHBondContact O-N 3.14Å; A31-L34 PolarHBondContact O-N 3.45Å; A31-E35 PolarHBondContact O-N 3.46Å; A31-I42 HydrophobicContact CB-CD1 3.7Å; A31-I60 HydrophobicContact CB-CD1 4.27Å; A31-I60 HydrophobicContact CB-CG1 4.16Å; A31-I60 HydrophobicContact CB-CG2 3.77Å; A31-V64 HydrophobicContact CB-CG2 4.22Å; A31-M67 HydrophobicContact CB-CE 4.21Å; A31-M67 VanDerWaalsContact O-CE 3.31Å; A31-M67 WeakPolarHBondContact O-CE 3.38Å
32L97.5Very high95.7Very high69 Ų6934.2 Ų34.236%0.36117%0.168SC..Hα-helixtrans-66.3-36.1176.5-68.4172.8000112.4V28 I30 K36V28-L32 HydrophobicContact CG1-CD1 4.06Å; V28-L32 HydrophobicContact CG1-CG 4.49Å; V28-L32 WeakPolarHBondContact O-CG 3.46Å; V28-L32 PolarHBondContact O-N 2.78Å; I30-L32 VanDerWaalsContact C-N 3.34Å; I30-L32 PolarHBondContact O-N 2.88Å; L32-K36 PolarHBondContact O-N 2.89Å; L32-K36 VanDerWaalsContact O-N 3.09Å
33Q97.8Very high96.1Very high16 Ų1633.9 Ų33.98%0.07517%0.167CC..Hα-helixtrans-71-36.2174.9-178.560.938.500111.8Q29 I30 K36 W37 E264 T268 L271Q29-Q33 PolarHBondContact O-N 3.13Å; Q29-Q33 VanDerWaalsContact O-N 3.13Å; I30-Q33 PolarHBondContact O-N 2.98Å; I30-Q33 VanDerWaalsContact O-N 3.1Å; Q33-K36 CarbonylContact O-C 3.58Å; Q33-K36 WeakPolarHBondContact O-CB 3.19Å; Q33-K36 PolarHBondContact O-N 2.97Å; Q33-W37 WeakPolarHBondContact O-CB 3.15Å; Q33-W37 PolarHBondContact O-N 2.9Å; Q33-E264 PolarHBondContact NE2-OE2 2.73Å; Q33-T268 HydrophobicContact CG-CG2 4.24Å; Q33-T268 WeakPolarHBondContact CG-OG1 3.17Å; Q33-T268 PolarHBondContact NE2-OG1 3.48Å; Q33-L271 HydrophobicContact CB-CD2 3.49Å; Q33-L271 VanDerWaalsContact CB-CD2 3.49Å; Q33-L271 HydrophobicContact CG-CD2 3.75Å
34L98.2Very high96.5Very high0 Ų030.3 Ų30.30%015%0.148CC..Hα-helixtrans-64.8-40.8174.2-69.2168.5000111.5D8 I30 A31 K36 W37 G38 V39 I42 I228 T268D8-L34 HydrophobicContact CB-CD1 4.08Å; D8-L34 HydrophobicContact CB-CD2 4.29Å; D8-L34 VanDerWaalsContact OD1-CD1 3.24Å; D8-L34 WeakPolarHBondContact OD1-CD1 3.48Å; I30-L34 HydrophobicContact CG2-CD1 3.71Å; I30-L34 HydrophobicContact CG2-CG 4.13Å; I30-L34 WeakPolarHBondContact O-CG 3.45Å; I30-L34 PolarHBondContact O-N 3.5Å; A31-L34 PolarHBondContact O-N 3.45Å; L34-K36 VanDerWaalsContact C-N 3.3Å; L34-K36 PolarHBondContact O-N 3.01Å; L34-W37 HydrophobicContact CD2-CE3 4.19Å; L34-W37 PolarHBondContact O-N 3.16Å; L34-G38 PolarHBondContact O-N 3.35Å; L34-V39 HydrophobicContact CB-CB 4.27Å; L34-V39 HydrophobicContact CB-CG2 4.09Å; L34-V39 HydrophobicContact CD2-CG2 3.96Å; L34-V39 PolarHBondContact O-N 2.65Å; L34-I42 HydrophobicContact CD1-CD1 3.6Å; L34-I42 HydrophobicContact CD1-CG1 4.23Å; L34-I228 HydrophobicContact CD2-CD1 3.85Å; L34-I228 HydrophobicContact CD2-CG1 3.77Å; L34-T268 HydrophobicContact CD2-CG2 4.05Å
35E97.1Very high96.7Very high40 Ų4027.9 Ų27.919%0.18713%0.133CC..Hα-helixtrans-59.3-42.9171.7-175.3176.8-112.100111.1A31 G38 V64 K65 N66 M67A31-E35 PolarHBondContact O-N 3.46Å; E35-G38 PolarHBondContact O-N 3.13Å; E35-V64 WeakPolarHBondContact OE1-CG1 3.48Å; E35-K65 PolarHBondContact OE1-N 3.4Å; E35-N66 HydrophobicContact CG-CB 4.25Å; E35-N66 PolarHBondContact OE1-N 2.89Å; E35-M67 HydrophobicContact CB-CE 4.06Å; E35-M67 HydrophobicContact CB-SD 4.46Å
36K96.5Very high97Very high90 Ų9021.4 Ų21.439%0.39111%0.105SC..Hα-helixtrans-67.1-36.5176.6-168.2-176.7179.8-139.30113.1L32 Q33 L34 G38 E264L32-K36 PolarHBondContact O-N 2.89Å; L32-K36 VanDerWaalsContact O-N 3.09Å; Q33-K36 CarbonylContact O-C 3.58Å; Q33-K36 WeakPolarHBondContact O-CB 3.19Å; Q33-K36 PolarHBondContact O-N 2.97Å; L34-K36 VanDerWaalsContact C-N 3.3Å; L34-K36 PolarHBondContact O-N 3.01Å; K36-G38 PolarHBondContact O-N 3.07Å; K36-E264 VanDerWaalsContact CE-CD 3.47Å; K36-E264 WeakPolarHBondContact CE-OE1 3.43Å; K36-E264 WeakPolarHBondContact CE-OE2 3.48Å; K36-E264 HydrophobicContact CG-CG 4.4Å; K36-E264 IonicContact NZ-OE1 3.22Å; K36-E264 PolarHBondContact NZ-OE1 2.81Å; K36-E264 IonicContact NZ-OE2 3.84Å; K36-E264 PolarHBondContact NZ-OE2 2.67Å
37W97.8Very high97.2Very high1 Ų119.1 Ų19.10%0.0049%0.094CC..Hα-helixtrans-69.4-17.9174.5-170.840.9000112.1Q33 L34 V39 I228 L240 E241 A244 I260 V261 E264 T265 T268Q33-W37 WeakPolarHBondContact O-CB 3.15Å; Q33-W37 PolarHBondContact O-N 2.9Å; L34-W37 HydrophobicContact CD2-CE3 4.19Å; L34-W37 PolarHBondContact O-N 3.16Å; W37-V39 HydrophobicContact CE3-CG2 3.51Å; W37-V39 HydrophobicContact CZ3-CG2 3.95Å; W37-I228 HydrophobicContact CE3-CD1 3.67Å; W37-I228 HydrophobicContact CH2-CD1 3.71Å; W37-I228 HydrophobicContact CZ3-CD1 3.14Å; W37-L240 HydrophobicContact CH2-CB 3.86Å; W37-L240 HydrophobicContact CZ3-CB 4.09Å; W37-E241 HydrophobicContact CH2-CB 4.35Å; W37-E241 HydrophobicContact CZ2-CB 4.2Å; W37-A244 HydrophobicContact CZ2-CB 4.24Å; W37-I260 HydrophobicContact CD2-CD1 4.22Å; W37-I260 HydrophobicContact CD2-CG2 4.3Å; W37-I260 HydrophobicContact CE3-CD1 4.2Å; W37-I260 HydrophobicContact CG-CG2 4.5Å; W37-I260 HydrophobicContact CH2-CD1 4.45Å; W37-I260 HydrophobicContact CZ2-CD1 4.5Å; W37-I260 HydrophobicContact CZ2-CG2 3.96Å; W37-I260 HydrophobicContact CZ3-CD1 4.28Å; W37-I260 CarbonylContact O-C 3.45Å; W37-I260 WeakPolarHBondContact O-CA 3.47Å; W37-V261 PolarHBondContact O-N 3.22Å; W37-E264 HydrophobicContact CB-CB 4.36Å; W37-E264 HydrophobicContact CG-CB 4.45Å; W37-T265 HydrophobicContact CZ2-CG2 4.22Å; W37-T265 PolarHBondContact NE1-OG1 2.89Å; W37-T268 HydrophobicContact CD2-CG2 4.34Å; W37-T268 HydrophobicContact CE3-CG2 4.25Å
38G97.6Very high97.3Very high12 Ų1221.7 Ų21.712%0.12411%0.108CC..THydrogen-bonded Turntrans9624.1174.400000114.5L34 E35 K36 N259L34-G38 PolarHBondContact O-N 3.35Å; E35-G38 PolarHBondContact O-N 3.13Å; K36-G38 PolarHBondContact O-N 3.07Å; G38-N259 WeakPolarHBondContact CA-O 3.37Å; G38-N259 CarbonylContact O-C 3.52Å; G38-N259 VanDerWaalsContact O-CB 3.24Å; G38-N259 WeakPolarHBondContact O-CB 3.31Å
39V98.2Very high97.2Very high5 Ų524.4 Ų24.43%0.0313%0.131CC..  trans-63.8135.6172.9174.10000110.1F6 D8 L34 W37 V41 I260F6-V39 WeakPolarHBondContact O-CG1 3.4Å; D8-V39 HydrophobicContact CB-CG1 3.83Å; D8-V39 HydrophobicContact CB-CG2 4.48Å; L34-V39 HydrophobicContact CB-CB 4.27Å; L34-V39 HydrophobicContact CB-CG2 4.09Å; L34-V39 HydrophobicContact CD2-CG2 3.96Å; L34-V39 PolarHBondContact O-N 2.65Å; W37-V39 HydrophobicContact CE3-CG2 3.51Å; W37-V39 HydrophobicContact CZ3-CG2 3.95Å; V39-V41 WeakPolarHBondContact CG1-O 3.37Å; V39-I260 HydrophobicContact CG2-CD1 4.33Å
40D98.2Very high97.1Very high19 Ų1922.5 Ų22.510%0.10213%0.128CC..SBendtrans-81.3-38.2-177.9-60.3-87.3000112.1Q5 F6 T68 N259Q5-D40 VanDerWaalsContact CA-OD2 3.29Å; Q5-D40 WeakPolarHBondContact CA-OD2 3.46Å; Q5-D40 HydrophobicContact CB-CB 4.18Å; Q5-D40 HydrophobicContact CG-CB 4.31Å; F6-D40 PolarHBondContact N-OD2 3.22Å; F6-D40 PolarHBondContact O-N 3.19Å; D40-T68 PolarHBondContact O-N 2.89Å; D40-N259 PolarHBondContact OD1-ND2 2.89Å
41V98.5Very high96.9Very high0 Ų026.8 Ų26.80%016%0.156CC..EExtended strand (participates in β ladder)trans-136.7136.8-175.2-170.20000110.6F6 F7 D8 V39 T68 T70F6-V41 PolarHBondContact O-N 2.99Å; F7-V41 CarbonylContact C-O 3.6Å; F7-V41 VanDerWaalsContact CA-O 3.28Å; F7-V41 WeakPolarHBondContact CA-O 3.4Å; F7-V41 HydrophobicContact CB-CB 4.2Å; F7-V41 HydrophobicContact CD2-CB 3.56Å; F7-V41 HydrophobicContact CD2-CG1 3.3Å; F7-V41 HydrophobicContact CD2-CG2 4.27Å; F7-V41 HydrophobicContact CE2-CB 4.23Å; F7-V41 HydrophobicContact CE2-CG1 3.44Å; F7-V41 VanDerWaalsContact CE2-CG1 3.44Å; F7-V41 HydrophobicContact CG-CB 4.05Å; F7-V41 HydrophobicContact CG-CG1 4.14Å; F7-V41 HydrophobicContact CZ-CG1 4.35Å; D8-V41 PolarHBondContact N-O 3.03Å; V39-V41 WeakPolarHBondContact CG1-O 3.37Å; V41-T68 WeakPolarHBondContact CA-O 3.14Å; V41-T68 HydrophobicContact CG1-CG2 4.06Å; V41-T70 WeakPolarHBondContact CG1-OG1 3.08Å
42I98.3Very high96.6Very high0 Ų028.6 Ų28.60%018%0.175CC..EExtended strand (participates in β ladder)trans-118.2133.6172.4-169.1171.9000110.8L11 A31 L34 A44 M67 T68 V69 T70L11-I42 HydrophobicContact CD1-CD1 3.63Å; L11-I42 HydrophobicContact CD1-CG1 4.48Å; L11-I42 HydrophobicContact CG-CD1 4.31Å; A31-I42 HydrophobicContact CB-CD1 3.7Å; L34-I42 HydrophobicContact CD1-CD1 3.6Å; L34-I42 HydrophobicContact CD1-CG1 4.23Å; I42-A44 PolarHBondContact O-N 2.81Å; I42-M67 HydrophobicContact CB-CE 4.25Å; I42-M67 HydrophobicContact CB-CG 4.39Å; I42-M67 HydrophobicContact CB-SD 3.66Å; I42-M67 HydrophobicContact CD1-CE 4.23Å; I42-M67 HydrophobicContact CD1-SD 4.48Å; I42-M67 HydrophobicContact CG2-CE 3.72Å; I42-M67 HydrophobicContact CG2-CG 3.87Å; I42-M67 HydrophobicContact CG2-SD 3.55Å; I42-M67 VanDerWaalsContact CG2-SD 3.55Å; I42-T68 PolarHBondContact N-O 2.81Å; I42-V69 HydrophobicContact CG2-CB 4.46Å; I42-V69 HydrophobicContact CG2-CG1 4.31Å; I42-V69 HydrophobicContact CG2-CG2 4.22Å; I42-T70 WeakPolarHBondContact O-CA 3.26Å; I42-T70 WeakPolarHBondContact O-CB 3.47Å; I42-T70 PolarHBondContact O-N 3.48Å
43E98.3Very high96.4Very high0 Ų026.2 Ų26.20%016%0.162CC..EExtended strand (participates in β ladder)trans-88.898.1164.1-170.6165.875.600109.5F7 D8 T9 R12 G45 H96F7-E43 HydrophobicContact CE1-CB 3.53Å; F7-E43 HydrophobicContact CE1-CG 4.46Å; F7-E43 HydrophobicContact CZ-CB 3.73Å; F7-E43 HydrophobicContact CZ-CG 4.41Å; D8-E43 PolarHBondContact O-N 3.23Å; T9-E43 HydrophobicContact CG2-CB 4.36Å; R12-E43 HydrophobicContact CB-CB 4.47Å; R12-E43 HydrophobicContact CB-CG 3.87Å; R12-E43 HydrophobicContact CG-CG 4.15Å; R12-E43 IonicContact CZ-OE1 2.72Å; R12-E43 IonicContact NE-OE1 3.43Å; R12-E43 PolarHBondContact NE-OE1 3Å; R12-E43 IonicContact NH2-OE1 2.73Å; R12-E43 PolarHBondContact NH2-OE1 2.93Å; E43-G45 PolarHBondContact O-N 3.4Å; E43-H96 IonicContact OE2-CE1 3.1Å; E43-H96 IonicContact OE2-CG 3.22Å; E43-H96 IonicContact OE2-ND1 2.94Å; E43-H96 PolarHBondContact OE2-ND1 3.1Å
44A96.9Very high96.3Very high0 Ų026.4 Ų26.40%016%0.163CC..EExtended strand (participates in β ladder)trans-73-16.4-169.500000113.7I42 V57 I60 V69 T70I42-A44 PolarHBondContact O-N 2.81Å; A44-V57 HydrophobicContact CB-CB 4.29Å; A44-V57 HydrophobicContact CB-CG1 4.1Å; A44-V57 HydrophobicContact CB-CG2 3.86Å; A44-I60 HydrophobicContact CB-CB 4.39Å; A44-I60 HydrophobicContact CB-CD1 3.98Å; A44-I60 HydrophobicContact CB-CG2 4.22Å; A44-V69 HydrophobicContact CB-CG1 3.81Å; A44-T70 PolarHBondContact N-O 3.08Å
45G95.9Very high96.2Very high0 Ų032 Ų320%019%0.189CC..EExtended strand (participates in β ladder)trans156.3-168.8-178.100000113.4E43 L72E43-G45 PolarHBondContact O-N 3.4Å; G45-L72 PolarHBondContact O-N 2.9Å; G45-L72 VanDerWaalsContact O-N 3.09Å
46F96.7Very high96.1Very high37 Ų3730.1 Ų30.116%0.16218%0.181CC..  trans-11883.1173.4-168.9-178.6000110.4R12 I48 A49 D53 L72 R74R12-F46 HydrophobicContact CG-CB 4.49Å; F46-I48 HydrophobicContact CD2-CG2 3.64Å; F46-I48 HydrophobicContact CE2-CB 4.46Å; F46-I48 HydrophobicContact CE2-CG2 3.19Å; F46-I48 HydrophobicContact CG-CG2 4.49Å; F46-I48 HydrophobicContact CZ-CG2 3.7Å; F46-I48 PolarHBondContact O-N 3.46Å; F46-A49 HydrophobicContact CB-CB 4.19Å; F46-A49 HydrophobicContact CD1-CB 4.29Å; F46-A49 HydrophobicContact CG-CB 4.24Å; F46-A49 WeakPolarHBondContact O-CB 3.33Å; F46-A49 PolarHBondContact O-N 3.43Å; F46-D53 VanDerWaalsContact CA-OD2 3.28Å; F46-D53 WeakPolarHBondContact CA-OD2 3.18Å; F46-D53 PolarHBondContact N-OD2 3.1Å; F46-L72 HydrophobicContact CB-CB 4.32Å; F46-L72 HydrophobicContact CB-CD2 4.5Å; F46-L72 HydrophobicContact CD1-CD2 4.17Å; F46-L72 HydrophobicContact CD2-CB 4.21Å; F46-L72 HydrophobicContact CD2-CG 4.46Å; F46-L72 WeakPolarHBondContact CD2-O 3.3Å; F46-L72 WeakPolarHBondContact CE2-O 3.46Å; F46-L72 HydrophobicContact CG-CB 4.31Å; F46-L72 HydrophobicContact CG-CD2 4.21Å; F46-L72 HydrophobicContact CG-CG 4.49Å; F46-R74 HydrophobicContact CZ-CG 3.87Å
47P96.8Very high96.2Very high1 Ų125.9 Ų25.91%0.00616%0.162CC..THydrogen-bonded Turntrans-53.3-23.9-165.5-30.635.4000117.7F54 V57 R82 A83 A86P47-F54 HydrophobicContact CB-CD2 4.16Å; P47-F54 WeakPolarHBondContact O-CB 3.36Å; P47-V57 HydrophobicContact CG-CB 4.25Å; P47-V57 HydrophobicContact CG-CG1 4.11Å; P47-V57 HydrophobicContact CG-CG2 4.03Å; P47-R82 HydrophobicContact CB-CG 4.07Å; P47-R82 WeakPolarHBondContact O-CG 3.38Å; P47-A83 HydrophobicContact CG-CB 4.36Å; P47-A86 HydrophobicContact CB-CB 4.01Å; P47-A86 HydrophobicContact CG-CB 3.99Å
48I97.1Very high96.2Very high58 Ų5828 Ų2830%0.29717%0.172SC..THydrogen-bonded Turntrans-82.7-18178-16265.8000113.1F46 S50 D79 R82F46-I48 HydrophobicContact CD2-CG2 3.64Å; F46-I48 HydrophobicContact CE2-CB 4.46Å; F46-I48 HydrophobicContact CE2-CG2 3.19Å; F46-I48 HydrophobicContact CG-CG2 4.49Å; F46-I48 HydrophobicContact CZ-CG2 3.7Å; F46-I48 PolarHBondContact O-N 3.46Å; I48-S50 PolarHBondContact O-N 3.05Å; I48-D79 HydrophobicContact CB-CB 4.5Å; I48-D79 HydrophobicContact CG2-CB 4.31Å; I48-D79 WeakPolarHBondContact CG2-OD2 3.48Å; I48-R82 HydrophobicContact CB-CB 4.36Å; I48-R82 HydrophobicContact CB-CG 4.31Å; I48-R82 HydrophobicContact CD1-CB 3.77Å; I48-R82 HydrophobicContact CD1-CG 3.85Å
49A93.9Very high96.1Very high69 Ų6928.8 Ų28.857%0.5718%0.176SC*.SBendtrans-65.6-38.7-172.200000112.2F46F46-A49 HydrophobicContact CB-CB 4.19Å; F46-A49 HydrophobicContact CD1-CB 4.29Å; F46-A49 HydrophobicContact CG-CB 4.24Å; F46-A49 WeakPolarHBondContact O-CB 3.33Å; F46-A49 PolarHBondContact O-N 3.43Å
50S93Very high96.1Very high54 Ų5428.6 Ų28.638%0.37818%0.175SC..  trans-158.4161.3174.2760000112.3I48 G52 D53 F54I48-S50 PolarHBondContact O-N 3.05Å; S50-G52 VanDerWaalsContact C-N 3.28Å; S50-G52 PolarHBondContact O-N 2.79Å; S50-G52 PolarHBondContact OG-N 3.02Å; S50-D53 PolarHBondContact O-N 2.8Å; S50-D53 WeakPolarHBondContact OG-CB 3.47Å; S50-D53 PolarHBondContact OG-N 2.84Å; S50-D53 VanDerWaalsContact OG-N 3.07Å; S50-F54 PolarHBondContact O-N 2.88Å; S50-F54 VanDerWaalsContact O-N 3.1Å
51P93.2Very high96Very high92 Ų9227.7 Ų27.760%0.59717%0.17SC*.Hα-helixtrans-57.5-39.2170.6-2534.9000113.3D53 F54 E55P51-D53 VanDerWaalsContact C-N 3.33Å; P51-D53 PolarHBondContact O-N 2.95Å; P51-F54 WeakPolarHBondContact O-CB 3.39Å; P51-F54 PolarHBondContact O-N 2.83Å; P51-E55 WeakPolarHBondContact O-CG 3.44Å; P51-E55 PolarHBondContact O-N 3.04Å
52G90.6Very high96Very high37 Ų3733.4 Ų33.438%0.38119%0.191SC..Hα-helixtrans-65-36.8179.200000112.6S50 E55 A56S50-G52 VanDerWaalsContact C-N 3.28Å; S50-G52 PolarHBondContact O-N 2.79Å; S50-G52 PolarHBondContact OG-N 3.02Å; G52-E55 PolarHBondContact O-N 3.16Å; G52-A56 WeakPolarHBondContact O-CB 3.44Å; G52-A56 PolarHBondContact O-N 3Å
53D93Very high95.8Very high19 Ų1937.2 Ų37.210%0.10221%0.209CC..Hα-helixtrans-73.2-36.7177.5-159.261000112.1K27 F46 S50 P51 A56 V57K27-D53 IonicContact NZ-OD1 2.66Å; K27-D53 PolarHBondContact NZ-OD1 3.13Å; F46-D53 VanDerWaalsContact CA-OD2 3.28Å; F46-D53 WeakPolarHBondContact CA-OD2 3.18Å; F46-D53 PolarHBondContact N-OD2 3.1Å; S50-D53 PolarHBondContact O-N 2.8Å; S50-D53 WeakPolarHBondContact OG-CB 3.47Å; S50-D53 PolarHBondContact OG-N 2.84Å; S50-D53 VanDerWaalsContact OG-N 3.07Å; P51-D53 VanDerWaalsContact C-N 3.33Å; P51-D53 PolarHBondContact O-N 2.95Å; D53-A56 PolarHBondContact O-N 2.67Å; D53-V57 WeakPolarHBondContact O-CG2 3.4Å; D53-V57 PolarHBondContact O-N 2.78Å
54F97Very high95.6Very high21 Ų2137.3 Ų37.39%0.09221%0.21CC..Hα-helixtrans-58.4-48169.1177.6-95.1000112.6P47 S50 P51 A56 V57 Q58 R82 E85 A86P47-F54 HydrophobicContact CB-CD2 4.16Å; P47-F54 WeakPolarHBondContact O-CB 3.36Å; S50-F54 PolarHBondContact O-N 2.88Å; S50-F54 VanDerWaalsContact O-N 3.1Å; P51-F54 WeakPolarHBondContact O-CB 3.39Å; P51-F54 PolarHBondContact O-N 2.83Å; F54-A56 VanDerWaalsContact C-N 3.31Å; F54-A56 PolarHBondContact O-N 2.69Å; F54-V57 PolarHBondContact O-N 3.37Å; F54-Q58 WeakPolarHBondContact O-CB 3.38Å; F54-Q58 PolarHBondContact O-N 3.23Å; F54-R82 HydrophobicContact CD2-CG 3.98Å; F54-R82 VanDerWaalsContact CD2-NH2 3.33Å; F54-R82 HydrophobicContact CE2-CG 4.38Å; F54-E85 HydrophobicContact CE2-CB 3.76Å; F54-E85 HydrophobicContact CZ-CB 4Å; F54-A86 HydrophobicContact CD2-CB 3.66Å; F54-A86 HydrophobicContact CE2-CB 3.58Å; F54-A86 HydrophobicContact CZ-CB 4.4Å
55E96Very high95.6Very high116 Ų11642.6 Ų42.654%0.54223%0.233SC..Hα-helixtrans-64-37.7178.9-73.5172.2-170.900111.6P51 G52 Q58 S59P51-E55 WeakPolarHBondContact O-CG 3.44Å; P51-E55 PolarHBondContact O-N 3.04Å; G52-E55 PolarHBondContact O-N 3.16Å; E55-Q58 PolarHBondContact O-N 3.23Å; E55-S59 VanDerWaalsContact O-CB 3.29Å; E55-S59 WeakPolarHBondContact O-CB 3.43Å; E55-S59 PolarHBondContact O-N 3.04Å
56A95.4Very high95.5Very high2 Ų249.3 Ų49.32%0.01727%0.269CS..Hα-helixtrans-63.3-49.9174.800000112.3K27 G52 D53 F54 Q58 S59 I60K27-A56 HydrophobicContact CD-CB 3.66Å; G52-A56 WeakPolarHBondContact O-CB 3.44Å; G52-A56 PolarHBondContact O-N 3Å; D53-A56 PolarHBondContact O-N 2.67Å; F54-A56 VanDerWaalsContact C-N 3.31Å; F54-A56 PolarHBondContact O-N 2.69Å; A56-Q58 VanDerWaalsContact C-N 3.3Å; A56-Q58 PolarHBondContact O-N 2.84Å; A56-S59 WeakPolarHBondContact O-CB 3.49Å; A56-S59 PolarHBondContact O-N 2.85Å; A56-S59 VanDerWaalsContact O-N 3.12Å; A56-I60 WeakPolarHBondContact O-CG1 3.48Å; A56-I60 PolarHBondContact O-N 2.83Å
57V97.6Very high95.4Very high0 Ų047.9 Ų47.90%026%0.262CS..Hα-helixtrans-59.5-43.5177.5173.70000110.8A44 P47 D53 F54 S59 I60 A61 A86 L87A44-V57 HydrophobicContact CB-CB 4.29Å; A44-V57 HydrophobicContact CB-CG1 4.1Å; A44-V57 HydrophobicContact CB-CG2 3.86Å; P47-V57 HydrophobicContact CG-CB 4.25Å; P47-V57 HydrophobicContact CG-CG1 4.11Å; P47-V57 HydrophobicContact CG-CG2 4.03Å; D53-V57 WeakPolarHBondContact O-CG2 3.4Å; D53-V57 PolarHBondContact O-N 2.78Å; F54-V57 PolarHBondContact O-N 3.37Å; V57-S59 VanDerWaalsContact C-N 3.33Å; V57-S59 PolarHBondContact O-N 3.34Å; V57-I60 PolarHBondContact O-N 2.9Å; V57-A61 WeakPolarHBondContact O-CB 3.39Å; V57-A61 PolarHBondContact O-N 3.28Å; V57-A86 HydrophobicContact CB-CB 4.15Å; V57-A86 HydrophobicContact CG1-CB 3.71Å; V57-L87 HydrophobicContact CG1-CD2 3.68Å; V57-L87 HydrophobicContact CG1-CG 4.29Å
58Q97.6Very high95.5Very high46 Ų4648.2 Ų48.222%0.21526%0.264CS..Hα-helixtrans-63.4-38.5176.4-173.6178.983.700112.4F54 E55 A56 R62 A86F54-Q58 WeakPolarHBondContact O-CB 3.38Å; F54-Q58 PolarHBondContact O-N 3.23Å; E55-Q58 PolarHBondContact O-N 3.23Å; A56-Q58 VanDerWaalsContact C-N 3.3Å; A56-Q58 PolarHBondContact O-N 2.84Å; Q58-R62 WeakPolarHBondContact O-CG 3.29Å; Q58-R62 PolarHBondContact O-N 2.88Å; Q58-R62 VanDerWaalsContact OE1-NH1 3.07Å; Q58-R62 VanDerWaalsContact OE1-NH2 3.14Å; Q58-A86 WeakPolarHBondContact CA-O 3.49Å
59S96.6Very high95.6Very high29 Ų2945.5 Ų45.520%0.20325%0.251CS..Hα-helixtrans-66-40.4177.6-169.80000112.3V28 E55 A56 V57 R62 Q63V28-S59 WeakPolarHBondContact CG2-OG 3.42Å; E55-S59 VanDerWaalsContact O-CB 3.29Å; E55-S59 WeakPolarHBondContact O-CB 3.43Å; E55-S59 PolarHBondContact O-N 3.04Å; A56-S59 WeakPolarHBondContact O-CB 3.49Å; A56-S59 PolarHBondContact O-N 2.85Å; A56-S59 VanDerWaalsContact O-N 3.12Å; V57-S59 VanDerWaalsContact C-N 3.33Å; V57-S59 PolarHBondContact O-N 3.34Å; S59-R62 PolarHBondContact O-N 3.03Å; S59-Q63 WeakPolarHBondContact O-CG 3.22Å; S59-Q63 PolarHBondContact O-N 2.93Å; S59-Q63 PolarHBondContact O-NE2 3.3Å; S59-Q63 PolarHBondContact OG-NE2 2.92Å
60I97Very high95.8Very high0 Ų042.2 Ų42.20%022%0.224CC..Hα-helixtrans-67.5-47.2176.3-66.1172.4000110.4L11 K27 V28 A31 A44 A56 V57 R62 Q63 V64 V69L11-I60 HydrophobicContact CD1-CD1 3.57Å; K27-I60 HydrophobicContact CB-CD1 4.03Å; V28-I60 HydrophobicContact CG2-CG1 4.05Å; A31-I60 HydrophobicContact CB-CD1 4.27Å; A31-I60 HydrophobicContact CB-CG1 4.16Å; A31-I60 HydrophobicContact CB-CG2 3.77Å; A44-I60 HydrophobicContact CB-CB 4.39Å; A44-I60 HydrophobicContact CB-CD1 3.98Å; A44-I60 HydrophobicContact CB-CG2 4.22Å; A56-I60 WeakPolarHBondContact O-CG1 3.48Å; A56-I60 PolarHBondContact O-N 2.83Å; V57-I60 PolarHBondContact O-N 2.9Å; I60-R62 PolarHBondContact O-N 3.37Å; I60-R62 VanDerWaalsContact O-N 3.17Å; I60-Q63 PolarHBondContact O-N 3.42Å; I60-V64 HydrophobicContact CG2-CG2 3.81Å; I60-V64 WeakPolarHBondContact O-CB 3.24Å; I60-V64 WeakPolarHBondContact O-CG2 3.47Å; I60-V64 PolarHBondContact O-N 2.75Å; I60-V64 VanDerWaalsContact O-N 3.07Å; I60-V69 HydrophobicContact CG2-CG1 4.26Å
61A97.7Very high96Very high0 Ų039.7 Ų39.70%021%0.206CC..Hα-helixtrans-51.7-39.1176.400000112.7V57 A90V57-A61 WeakPolarHBondContact O-CB 3.39Å; V57-A61 PolarHBondContact O-N 3.28Å; A61-A90 HydrophobicContact CB-CB 3.85Å; A61-A90 WeakPolarHBondContact O-CA 3.3Å
62R97.3Very high96.2Very high120 Ų12035.8 Ų35.845%0.45318%0.18SC..Hα-helixtrans-74.5-30.7178.8-73.7173.7177.3149.49.1114.6Q58 S59 I60 K65 D89Q58-R62 WeakPolarHBondContact O-CG 3.29Å; Q58-R62 PolarHBondContact O-N 2.88Å; Q58-R62 VanDerWaalsContact OE1-NH1 3.07Å; Q58-R62 VanDerWaalsContact OE1-NH2 3.14Å; S59-R62 PolarHBondContact O-N 3.03Å; I60-R62 PolarHBondContact O-N 3.37Å; I60-R62 VanDerWaalsContact O-N 3.17Å; R62-K65 PolarHBondContact O-NZ 3.18Å; R62-D89 HydrophobicContact CG-CB 3.65Å; R62-D89 IonicContact CZ-OD2 3.29Å; R62-D89 VanDerWaalsContact CZ-OD2 3.29Å; R62-D89 IonicContact NE-OD2 2.77Å; R62-D89 PolarHBondContact NE-OD2 2.82Å; R62-D89 IonicContact NH2-OD2 2.93Å; R62-D89 PolarHBondContact NH2-OD2 2.54Å
63Q95.2Very high96.6Very high80 Ų8034 Ų3437%0.37416%0.162SC..Hα-helixtrans-93.8-37.5-168.5-74.2-17880.500113.1S59 I60 K65S59-Q63 WeakPolarHBondContact O-CG 3.22Å; S59-Q63 PolarHBondContact O-N 2.93Å; S59-Q63 PolarHBondContact O-NE2 3.3Å; S59-Q63 PolarHBondContact OG-NE2 2.92Å; I60-Q63 PolarHBondContact O-N 3.42Å; Q63-K65 WeakPolarHBondContact O-CE 3.33Å
64V94.2Very high96.8Very high3 Ų337.9 Ų37.92%0.01818%0.175CC..  trans-70.7145.2178.5169.90000110.6A31 E35 I60 M67 V69A31-V64 HydrophobicContact CB-CG2 4.22Å; E35-V64 WeakPolarHBondContact OE1-CG1 3.48Å; I60-V64 HydrophobicContact CG2-CG2 3.81Å; I60-V64 WeakPolarHBondContact O-CB 3.24Å; I60-V64 WeakPolarHBondContact O-CG2 3.47Å; I60-V64 PolarHBondContact O-N 2.75Å; I60-V64 VanDerWaalsContact O-N 3.07Å; V64-M67 HydrophobicContact CB-CE 3.85Å; V64-M67 HydrophobicContact CG1-CB 3.99Å; V64-M67 HydrophobicContact CG1-CE 3.29Å; V64-M67 HydrophobicContact CG1-CG 3.62Å; V64-M67 HydrophobicContact CG1-SD 4.24Å; V64-M67 HydrophobicContact CG2-CE 3.18Å; V64-V69 HydrophobicContact CB-CG2 4.31Å; V64-V69 HydrophobicContact CG1-CG2 4.11Å
65K95Very high96.8Very high111 Ų11137.5 Ų37.548%0.48318%0.175SC..SBendtrans-128.4-26-173.1-58.6-62.6161.3-148.60115E35 R62 Q63 V91E35-K65 PolarHBondContact OE1-N 3.4Å; R62-K65 PolarHBondContact O-NZ 3.18Å; Q63-K65 WeakPolarHBondContact O-CE 3.33Å; K65-V91 HydrophobicContact CD-CG2 4.46Å
66N94.8Very high96.9Very high141 Ų14136.6 Ų36.675%0.75417%0.171SC*.SBendtrans-124.88.3-168.1-56.5-57.3000113.7E35E35-N66 HydrophobicContact CG-CB 4.25Å; E35-N66 PolarHBondContact OE1-N 2.89Å
67M95.2Very high97Very high6 Ų640.6 Ų40.63%0.0319%0.188CC..SBendtrans-132.5148.4-176.7117.6-174.6107.400111.1A31 E35 I42 V64A31-M67 HydrophobicContact CB-CE 4.21Å; A31-M67 VanDerWaalsContact O-CE 3.31Å; A31-M67 WeakPolarHBondContact O-CE 3.38Å; E35-M67 HydrophobicContact CB-CE 4.06Å; E35-M67 HydrophobicContact CB-SD 4.46Å; I42-M67 HydrophobicContact CB-CE 4.25Å; I42-M67 HydrophobicContact CB-CG 4.39Å; I42-M67 HydrophobicContact CB-SD 3.66Å; I42-M67 HydrophobicContact CD1-CE 4.23Å; I42-M67 HydrophobicContact CD1-SD 4.48Å; I42-M67 HydrophobicContact CG2-CE 3.72Å; I42-M67 HydrophobicContact CG2-CG 3.87Å; I42-M67 HydrophobicContact CG2-SD 3.55Å; I42-M67 VanDerWaalsContact CG2-SD 3.55Å; V64-M67 HydrophobicContact CB-CE 3.85Å; V64-M67 HydrophobicContact CG1-CB 3.99Å; V64-M67 HydrophobicContact CG1-CE 3.29Å; V64-M67 HydrophobicContact CG1-CG 3.62Å; V64-M67 HydrophobicContact CG1-SD 4.24Å; V64-M67 HydrophobicContact CG2-CE 3.18Å
68T98.1Very high97Very high8 Ų848.2 Ų48.25%0.04922%0.221CC..EExtended strand (participates in β ladder)trans-71.3132.1174.7-54.10000109.6D40 V41 I42 D92 Q94 K134D40-T68 PolarHBondContact O-N 2.89Å; V41-T68 WeakPolarHBondContact CA-O 3.14Å; V41-T68 HydrophobicContact CG1-CG2 4.06Å; I42-T68 PolarHBondContact N-O 2.81Å; T68-D92 VanDerWaalsContact CA-O 3.32Å; T68-D92 WeakPolarHBondContact CA-O 3.48Å; T68-D92 VanDerWaalsContact CG2-O 3.31Å; T68-D92 WeakPolarHBondContact CG2-O 3.28Å; T68-D92 PolarHBondContact OG1-OD2 2.92Å; T68-Q94 HydrophobicContact CG2-CB 3.49Å; T68-Q94 VanDerWaalsContact CG2-CB 3.49Å; T68-K134 HydrophobicContact CG2-CD 4.3Å
69V98.3Very high97Very high2 Ų246.2 Ų46.21%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-105.6121177.5-171.60000109.7I42 A44 I60 V64 L87 A90 D92 Q94I42-V69 HydrophobicContact CG2-CB 4.46Å; I42-V69 HydrophobicContact CG2-CG1 4.31Å; I42-V69 HydrophobicContact CG2-CG2 4.22Å; A44-V69 HydrophobicContact CB-CG1 3.81Å; I60-V69 HydrophobicContact CG2-CG1 4.26Å; V64-V69 HydrophobicContact CB-CG2 4.31Å; V64-V69 HydrophobicContact CG1-CG2 4.11Å; V69-L87 HydrophobicContact CB-CD2 4.07Å; V69-L87 HydrophobicContact CG1-CD2 3.59Å; V69-A90 HydrophobicContact CB-CB 4.16Å; V69-A90 HydrophobicContact CG2-CB 4.4Å; V69-D92 PolarHBondContact N-O 3.48Å; V69-Q94 PolarHBondContact O-N 2.89Å
70T98.6Very high97.1Very high0 Ų044.9 Ų44.90%020%0.202CC..EExtended strand (participates in β ladder)trans-108.6136.8-176.2-56.40000111.7F7 V41 I42 A44 Q94 H96F7-T70 HydrophobicContact CE2-CG2 4.23Å; F7-T70 HydrophobicContact CZ-CG2 4.05Å; V41-T70 WeakPolarHBondContact CG1-OG1 3.08Å; I42-T70 WeakPolarHBondContact O-CA 3.26Å; I42-T70 WeakPolarHBondContact O-CB 3.47Å; I42-T70 PolarHBondContact O-N 3.48Å; A44-T70 PolarHBondContact N-O 3.08Å; T70-Q94 VanDerWaalsContact CA-O 3.29Å; T70-Q94 WeakPolarHBondContact CA-O 3.49Å; T70-Q94 HydrophobicContact CG2-CB 4.49Å; T70-Q94 HydrophobicContact CG2-CG 4.24Å; T70-Q94 PolarHBondContact OG1-NE2 3.24Å; T70-H96 HydrophobicContact CG2-CB 3.57Å
71G98Very high97.2Very high0 Ų047.4 Ų47.40%022%0.216CC..EExtended strand (participates in β ladder)trans-113.3130.6168.400000111Q94 H96G71-Q94 PolarHBondContact N-O 3.31Å; G71-H96 PolarHBondContact O-N 3.35Å
72L97.9Very high97.2Very high11 Ų1150.5 Ų50.56%0.05823%0.227CC..EExtended strand (participates in β ladder)trans-75.3142.1175.5-171.769.6000110.7R12 G45 F46 H96 F98R12-L72 HydrophobicContact CG-CD2 4.4Å; G45-L72 PolarHBondContact O-N 2.9Å; G45-L72 VanDerWaalsContact O-N 3.09Å; F46-L72 HydrophobicContact CB-CB 4.32Å; F46-L72 HydrophobicContact CB-CD2 4.5Å; F46-L72 HydrophobicContact CD1-CD2 4.17Å; F46-L72 HydrophobicContact CD2-CB 4.21Å; F46-L72 HydrophobicContact CD2-CG 4.46Å; F46-L72 WeakPolarHBondContact CD2-O 3.3Å; F46-L72 WeakPolarHBondContact CE2-O 3.46Å; F46-L72 HydrophobicContact CG-CB 4.31Å; F46-L72 HydrophobicContact CG-CD2 4.21Å; F46-L72 HydrophobicContact CG-CG 4.49Å; L72-H96 CarbonylContact C-O 3.47Å; L72-H96 WeakPolarHBondContact CA-O 3.46Å; L72-H96 HydrophobicContact CD1-CB 4.14Å; L72-H96 WeakPolarHBondContact CD1-ND1 3.48Å; L72-F98 HydrophobicContact CD1-CD1 3.69Å; L72-F98 HydrophobicContact CD1-CE1 4.02Å; L72-F98 HydrophobicContact CD2-CD1 4.49Å; L72-F98 HydrophobicContact CD2-CE1 4.01Å; L72-F98 HydrophobicContact CG-CD1 4.12Å; L72-F98 HydrophobicContact CG-CE1 3.94Å
73A98.1Very high97.2Very high0 Ų044.8 Ų44.80%021%0.206CC..EExtended strand (participates in β ladder)trans-143.4140.4174.300000110.7D79 I80 I95 H96 V97 F98A73-D79 HydrophobicContact CB-CB 3.91Å; A73-I80 HydrophobicContact CB-CG1 4.13Å; A73-I95 HydrophobicContact CB-CD1 4.14Å; A73-I95 HydrophobicContact CB-CG1 4.41Å; A73-H96 PolarHBondContact N-O 3.24Å; A73-V97 WeakPolarHBondContact O-CA 3.47Å; A73-F98 VanDerWaalsContact O-CD1 3.31Å; A73-F98 WeakPolarHBondContact O-CD1 3.21Å; A73-F98 PolarHBondContact O-N 3.35Å
74R97.7Very high97.4Very high99 Ų9945.5 Ų45.537%0.37421%0.206SC..EExtended strand (participates in β ladder)trans-70.9165.1164.4-68.8163.3-59.7-167.90.6109.2F46 Q76 D79 F98F46-R74 HydrophobicContact CZ-CG 3.87Å; R74-Q76 PolarHBondContact O-N 3.44Å; R74-D79 WeakPolarHBondContact CB-OD2 3.27Å; R74-D79 IonicContact CZ-OD2 2.64Å; R74-D79 PolarHBondContact N-OD2 3.16Å; R74-D79 IonicContact NE-OD2 2.79Å; R74-D79 PolarHBondContact NE-OD2 3.01Å; R74-D79 IonicContact NH2-OD1 3.8Å; R74-D79 PolarHBondContact NH2-OD1 2.93Å; R74-D79 IonicContact NH2-OD2 3.33Å; R74-D79 PolarHBondContact NH2-OD2 2.97Å; R74-F98 HydrophobicContact CB-CE1 4.47Å; R74-F98 HydrophobicContact CG-CE1 3.73Å; R74-F98 HydrophobicContact CG-CE2 4.43Å; R74-F98 HydrophobicContact CG-CZ 3.57Å
75C96.8Very high97.6Very high14 Ų1449.1 Ų49.110%0.09522%0.222CC..SBendtrans-63.870.1165.3-75.70000111.9V97 L99 H124C75-V97 HydrophobicContact CB-CG1 4.48Å; C75-V97 WeakPolarHBondContact SG-CG1 3.34Å; C75-L99 HydrophobicContact CB-CD1 4.44Å; C75-H124 HydrophobicContact CB-CB 3.86Å; C75-H124 PolarHBondContact O-CD2 2.8Å; C75-H124 PolarHBondContact O-CE1 3.36Å; C75-H124 PolarHBondContact O-NE2 3.43Å
76Q97.2Very high97.7Very high96 Ų9643.9 Ų43.945%0.44920%0.2SC..SBendtrans-147.3133.3173.2-62.8-168.826.300108.8R74 K78 D79 I80 H124R74-Q76 PolarHBondContact O-N 3.44Å; Q76-K78 VanDerWaalsContact C-N 3.27Å; Q76-K78 PolarHBondContact O-N 2.93Å; Q76-D79 HydrophobicContact CB-CB 4.39Å; Q76-D79 PolarHBondContact O-N 3.48Å; Q76-D79 VanDerWaalsContact O-N 3.14Å; Q76-I80 PolarHBondContact O-N 3.07Å; Q76-H124 PolarHBondContact N-CD2 2.75Å; Q76-H124 VanDerWaalsContact N-CD2 3.34Å
77K98Very high97.9Very high87 Ų8737.2 Ų37.238%0.37816%0.164SC..Hα-helixtrans-56.7-38.9-178.7-66.3-177.2179.31550113.3D79 I80 D81 E123 Y127K77-D79 VanDerWaalsContact C-N 3.35Å; K77-D79 PolarHBondContact O-N 3.28Å; K77-I80 WeakPolarHBondContact O-CB 3.38Å; K77-I80 PolarHBondContact O-N 3.34Å; K77-D81 WeakPolarHBondContact O-CB 3.4Å; K77-D81 PolarHBondContact O-N 3.03Å; K77-E123 VanDerWaalsContact CE-OE1 3.23Å; K77-E123 WeakPolarHBondContact CE-OE1 3.26Å; K77-E123 IonicContact NZ-OE1 2.71Å; K77-E123 PolarHBondContact NZ-OE1 3.41Å; K77-Y127 HydrophobicContact CB-CD1 4.07Å; K77-Y127 HydrophobicContact CB-CE1 3.76Å; K77-Y127 HydrophobicContact CD-CD1 4.37Å; K77-Y127 HydrophobicContact CD-CD2 4.27Å; K77-Y127 HydrophobicContact CD-CE1 4.39Å; K77-Y127 HydrophobicContact CD-CE2 4.28Å; K77-Y127 HydrophobicContact CD-CG 4.31Å; K77-Y127 HydrophobicContact CG-CD1 3.7Å; K77-Y127 HydrophobicContact CG-CD2 4.45Å; K77-Y127 HydrophobicContact CG-CE1 3.85Å; K77-Y127 HydrophobicContact CG-CG 4.02Å
78K97.9Very high97.9Very high159 Ų15943.3 Ų43.369%0.69119%0.19SC*.Hα-helixtrans-62.7-39178.9-68.7-175.7178.6-179.90113.2Q76 R82Q76-K78 VanDerWaalsContact C-N 3.27Å; Q76-K78 PolarHBondContact O-N 2.93Å; K78-R82 WeakPolarHBondContact O-CB 3.28Å; K78-R82 PolarHBondContact O-N 3.4Å
79D98.2Very high97.8Very high5 Ų546.8 Ų46.83%0.02721%0.208CC..Hα-helixtrans-66.9-43.2177.5-67.433000110I48 A73 R74 Q76 K77 R82 A83I48-D79 HydrophobicContact CB-CB 4.5Å; I48-D79 HydrophobicContact CG2-CB 4.31Å; I48-D79 WeakPolarHBondContact CG2-OD2 3.48Å; A73-D79 HydrophobicContact CB-CB 3.91Å; R74-D79 WeakPolarHBondContact CB-OD2 3.27Å; R74-D79 IonicContact CZ-OD2 2.64Å; R74-D79 PolarHBondContact N-OD2 3.16Å; R74-D79 IonicContact NE-OD2 2.79Å; R74-D79 PolarHBondContact NE-OD2 3.01Å; R74-D79 IonicContact NH2-OD1 3.8Å; R74-D79 PolarHBondContact NH2-OD1 2.93Å; R74-D79 IonicContact NH2-OD2 3.33Å; R74-D79 PolarHBondContact NH2-OD2 2.97Å; Q76-D79 HydrophobicContact CB-CB 4.39Å; Q76-D79 PolarHBondContact O-N 3.48Å; Q76-D79 VanDerWaalsContact O-N 3.14Å; K77-D79 VanDerWaalsContact C-N 3.35Å; K77-D79 PolarHBondContact O-N 3.28Å; D79-R82 PolarHBondContact O-N 3.18Å; D79-A83 PolarHBondContact O-N 3.39Å
80I98.5Very high97.8Very high0 Ų047.3 Ų47.30%021%0.213CC..Hα-helixtrans-62.6-47.5176.6-66.1166.7000111.2A73 Q76 K77 R82 A83 Y84 I95 V97 H124 Y127 A128 L131A73-I80 HydrophobicContact CB-CG1 4.13Å; Q76-I80 PolarHBondContact O-N 3.07Å; K77-I80 WeakPolarHBondContact O-CB 3.38Å; K77-I80 PolarHBondContact O-N 3.34Å; I80-R82 VanDerWaalsContact C-N 3.26Å; I80-R82 PolarHBondContact O-N 3.26Å; I80-A83 PolarHBondContact O-N 3.49Å; I80-Y84 PolarHBondContact O-N 2.82Å; I80-I95 HydrophobicContact CB-CD1 4.02Å; I80-I95 HydrophobicContact CG1-CD1 3.89Å; I80-I95 HydrophobicContact CG2-CD1 3.69Å; I80-V97 HydrophobicContact CG1-CG2 4.36Å; I80-H124 HydrophobicContact CD1-CB 4.16Å; I80-H124 WeakPolarHBondContact CD1-O 3.32Å; I80-Y127 HydrophobicContact CB-CD1 4.11Å; I80-Y127 HydrophobicContact CB-CE1 4.24Å; I80-Y127 HydrophobicContact CD1-CD1 3.92Å; I80-Y127 HydrophobicContact CG2-CD1 3.75Å; I80-Y127 HydrophobicContact CG2-CE1 3.91Å; I80-A128 HydrophobicContact CD1-CB 4.3Å; I80-A128 HydrophobicContact CG2-CB 4.35Å; I80-L131 HydrophobicContact CG2-CD1 3.88Å
81D98.3Very high97.6Very high53 Ų5351.9 Ų51.928%0.28324%0.241SC..Hα-helixtrans-58.7-40.8176.9-66.2-28.4000110.7K77 Y84 E85 Y127K77-D81 WeakPolarHBondContact O-CB 3.4Å; K77-D81 PolarHBondContact O-N 3.03Å; D81-Y84 WeakPolarHBondContact O-CB 3.46Å; D81-Y84 PolarHBondContact O-N 2.78Å; D81-E85 WeakPolarHBondContact O-CG 3.46Å; D81-E85 PolarHBondContact O-N 3.14Å; D81-Y127 VanDerWaalsContact OD1-CE1 3.29Å; D81-Y127 WeakPolarHBondContact OD1-CE1 3.42Å; D81-Y127 PolarHBondContact OD1-OH 3.06Å
82R98.1Very high97.6Very high66 Ų6654.2 Ų54.225%0.24925%0.253CS..Hα-helixtrans-68.7-39.6179.6-167.760.7171.7157.13.3112.7P47 I48 F54 K78 D79 I80 Y84 E85 A86P47-R82 HydrophobicContact CB-CG 4.07Å; P47-R82 WeakPolarHBondContact O-CG 3.38Å; I48-R82 HydrophobicContact CB-CB 4.36Å; I48-R82 HydrophobicContact CB-CG 4.31Å; I48-R82 HydrophobicContact CD1-CB 3.77Å; I48-R82 HydrophobicContact CD1-CG 3.85Å; F54-R82 HydrophobicContact CD2-CG 3.98Å; F54-R82 VanDerWaalsContact CD2-NH2 3.33Å; F54-R82 HydrophobicContact CE2-CG 4.38Å; K78-R82 WeakPolarHBondContact O-CB 3.28Å; K78-R82 PolarHBondContact O-N 3.4Å; D79-R82 PolarHBondContact O-N 3.18Å; I80-R82 VanDerWaalsContact C-N 3.26Å; I80-R82 PolarHBondContact O-N 3.26Å; R82-Y84 VanDerWaalsContact C-N 3.34Å; R82-E85 IonicContact CZ-OE2 3.93Å; R82-E85 IonicContact NH1-OE2 2.86Å; R82-E85 PolarHBondContact NH1-OE2 3.4Å; R82-E85 PolarHBondContact O-N 2.73Å; R82-A86 PolarHBondContact O-N 3.46Å; R82-A86 VanDerWaalsContact O-N 3.09Å
83A98.1Very high97.6Very high0 Ų056 Ų560%027%0.265CS..Hα-helixtrans-63.2-42.4172.200000111.3P47 D79 I80 E85 A86 L87 I95P47-A83 HydrophobicContact CG-CB 4.36Å; D79-A83 PolarHBondContact O-N 3.39Å; I80-A83 PolarHBondContact O-N 3.49Å; A83-E85 VanDerWaalsContact C-N 3.34Å; A83-E85 PolarHBondContact O-N 2.91Å; A83-A86 PolarHBondContact O-N 3.44Å; A83-L87 WeakPolarHBondContact O-CB 3.44Å; A83-L87 WeakPolarHBondContact O-CG 3.44Å; A83-L87 PolarHBondContact O-N 2.97Å; A83-L87 VanDerWaalsContact O-N 3.11Å; A83-I95 HydrophobicContact CB-CD1 4.2Å; A83-I95 HydrophobicContact CB-CG1 4.44Å
84Y98.2Very high97.6Very high95 Ų9556 Ų5637%0.37327%0.265SS..Hα-helixtrans-58.8-44.2175.1-177.2-108.2000112.2I80 D81 R82 A86 L87 K88 L131 F132I80-Y84 PolarHBondContact O-N 2.82Å; D81-Y84 WeakPolarHBondContact O-CB 3.46Å; D81-Y84 PolarHBondContact O-N 2.78Å; R82-Y84 VanDerWaalsContact C-N 3.34Å; Y84-A86 PolarHBondContact O-N 3.46Å; Y84-L87 PolarHBondContact O-N 3.21Å; Y84-K88 VanDerWaalsContact O-CG 3.27Å; Y84-K88 WeakPolarHBondContact O-CG 3.25Å; Y84-K88 PolarHBondContact O-N 2.83Å; Y84-L131 HydrophobicContact CD2-CB 3.85Å; Y84-L131 HydrophobicContact CE1-CD2 4.47Å; Y84-L131 HydrophobicContact CE2-CB 4.19Å; Y84-L131 WeakPolarHBondContact CE2-O 3.33Å; Y84-L131 HydrophobicContact CG-CB 4.29Å; Y84-L131 HydrophobicContact CG-CD1 4.37Å; Y84-F132 VanDerWaalsContact CA-CZ 3.42Å; Y84-F132 HydrophobicContact CD2-CD2 4.38Å; Y84-F132 HydrophobicContact CD2-CE1 4.37Å; Y84-F132 AromaticContact CD2-CE2 3.89Å; Y84-F132 HydrophobicContact CD2-CE2 3.89Å; Y84-F132 AromaticContact CD2-CZ 3.92Å; Y84-F132 HydrophobicContact CD2-CZ 3.92Å; Y84-F132 HydrophobicContact CG-CE2 4.32Å; Y84-F132 HydrophobicContact CG-CZ 4.4Å
85E97.9Very high97.6Very high79 Ų7951.2 Ų51.237%0.36925%0.247SC..Hα-helixtrans-62.7-39.5175.3-73.7174.7178.300114F54 D81 R82 A83 L87F54-E85 HydrophobicContact CE2-CB 3.76Å; F54-E85 HydrophobicContact CZ-CB 4Å; D81-E85 WeakPolarHBondContact O-CG 3.46Å; D81-E85 PolarHBondContact O-N 3.14Å; R82-E85 IonicContact CZ-OE2 3.93Å; R82-E85 IonicContact NH1-OE2 2.86Å; R82-E85 PolarHBondContact NH1-OE2 3.4Å; R82-E85 PolarHBondContact O-N 2.73Å; A83-E85 VanDerWaalsContact C-N 3.34Å; A83-E85 PolarHBondContact O-N 2.91Å; E85-L87 VanDerWaalsContact C-N 3.33Å
86A97.9Very high97.7Very high0 Ų050.9 Ų50.90%024%0.244CC..Hα-helixtrans-70.1-33.2-177.800000112P47 F54 V57 Q58 R82 A83 Y84P47-A86 HydrophobicContact CB-CB 4.01Å; P47-A86 HydrophobicContact CG-CB 3.99Å; F54-A86 HydrophobicContact CD2-CB 3.66Å; F54-A86 HydrophobicContact CE2-CB 3.58Å; F54-A86 HydrophobicContact CZ-CB 4.4Å; V57-A86 HydrophobicContact CB-CB 4.15Å; V57-A86 HydrophobicContact CG1-CB 3.71Å; Q58-A86 WeakPolarHBondContact CA-O 3.49Å; R82-A86 PolarHBondContact O-N 3.46Å; R82-A86 VanDerWaalsContact O-N 3.09Å; A83-A86 PolarHBondContact O-N 3.44Å; Y84-A86 PolarHBondContact O-N 3.46Å
87L98.1Very high97.8Very high2 Ų246.3 Ų46.31%0.0122%0.223CC..THydrogen-bonded Turntrans-96.93.5-171.7-63.1171.1000114.3V57 V69 A83 Y84 E85 D89 A90 P93 Q94 F132V57-L87 HydrophobicContact CG1-CD2 3.68Å; V57-L87 HydrophobicContact CG1-CG 4.29Å; V69-L87 HydrophobicContact CB-CD2 4.07Å; V69-L87 HydrophobicContact CG1-CD2 3.59Å; A83-L87 WeakPolarHBondContact O-CB 3.44Å; A83-L87 WeakPolarHBondContact O-CG 3.44Å; A83-L87 PolarHBondContact O-N 2.97Å; A83-L87 VanDerWaalsContact O-N 3.11Å; Y84-L87 PolarHBondContact O-N 3.21Å; E85-L87 VanDerWaalsContact C-N 3.33Å; L87-D89 PolarHBondContact O-N 3.19Å; L87-A90 VanDerWaalsContact O-CB 3.3Å; L87-A90 WeakPolarHBondContact O-CB 3.27Å; L87-A90 PolarHBondContact O-N 3.05Å; L87-P93 HydrophobicContact CB-CB 4.03Å; L87-Q94 VanDerWaalsContact CD1-O 3.24Å; L87-Q94 WeakPolarHBondContact CD1-O 3.5Å; L87-F132 HydrophobicContact CB-CE1 4.42Å; L87-F132 HydrophobicContact CD1-CE1 3.84Å; L87-F132 HydrophobicContact CD1-CZ 4.11Å
88K96.2Very high97.8Very high134 Ų13444 Ų4458%0.58321%0.213SC*.THydrogen-bonded Turntrans-52.9-33-176.9-73-176.3174.9165.30114.6Y84Y84-K88 VanDerWaalsContact O-CG 3.27Å; Y84-K88 WeakPolarHBondContact O-CG 3.25Å; Y84-K88 PolarHBondContact O-N 2.83Å
89D96.5Very high97.8Very high80 Ų8037.2 Ų37.243%0.42818%0.184SC..THydrogen-bonded Turntrans-95.70.7-176.6-61-35.4000112.9R62 L87R62-D89 HydrophobicContact CG-CB 3.65Å; R62-D89 IonicContact CZ-OD2 3.29Å; R62-D89 VanDerWaalsContact CZ-OD2 3.29Å; R62-D89 IonicContact NE-OD2 2.77Å; R62-D89 PolarHBondContact NE-OD2 2.82Å; R62-D89 IonicContact NH2-OD2 2.93Å; R62-D89 PolarHBondContact NH2-OD2 2.54Å; L87-D89 PolarHBondContact O-N 3.19Å
90A97.2Very high97.7Very high13 Ų1337 Ų3711%0.10718%0.183CC..  trans-71.4139.3178.400000111A61 V69 L87 D92 P93A61-A90 HydrophobicContact CB-CB 3.85Å; A61-A90 WeakPolarHBondContact O-CA 3.3Å; V69-A90 HydrophobicContact CB-CB 4.16Å; V69-A90 HydrophobicContact CG2-CB 4.4Å; L87-A90 VanDerWaalsContact O-CB 3.3Å; L87-A90 WeakPolarHBondContact O-CB 3.27Å; L87-A90 PolarHBondContact O-N 3.05Å; A90-D92 PolarHBondContact O-N 2.99Å; A90-P93 HydrophobicContact CB-CB 4.16Å
91V95.6Very high97.6Very high97 Ų9737 Ų3759%0.58818%0.183SC*.SBendtrans-63.6-33176.5177.80000111.5K65K65-V91 HydrophobicContact CD-CG2 4.46Å
92D97.2Very high97.5Very high49 Ų4934.5 Ų34.526%0.26217%0.17SC..SBendtrans-145.787-178.7-177.623.6000109.7T68 V69 A90 K134T68-D92 VanDerWaalsContact CA-O 3.32Å; T68-D92 WeakPolarHBondContact CA-O 3.48Å; T68-D92 VanDerWaalsContact CG2-O 3.31Å; T68-D92 WeakPolarHBondContact CG2-O 3.28Å; T68-D92 PolarHBondContact OG1-OD2 2.92Å; V69-D92 PolarHBondContact N-O 3.48Å; A90-D92 PolarHBondContact O-N 2.99Å; D92-K134 WeakPolarHBondContact OD1-CE 3.33Å; D92-K134 IonicContact OD1-NZ 3.77Å; D92-K134 PolarHBondContact OD1-NZ 3.06Å; D92-K134 IonicContact OD2-NZ 3.53Å; D92-K134 PolarHBondContact OD2-NZ 3.42Å
93P98Very high97.3Very high47 Ų4734.8 Ų34.831%0.30518%0.176SC..EExtended strand (participates in β ladder)trans-81.9136.3-175.430.6-33.2000112.6L87 A90 F132L87-P93 HydrophobicContact CB-CB 4.03Å; A90-P93 HydrophobicContact CB-CB 4.16Å; P93-F132 HydrophobicContact CB-CD1 4.29Å; P93-F132 HydrophobicContact CB-CE1 4.13Å
94Q98.4Very high97.1Very high0 Ų037.7 Ų37.70%019%0.194CC..EExtended strand (participates in β ladder)trans-127.9147.4172.2176.9-179.4-6800110.3T68 V69 T70 G71 L87 K134 R223T68-Q94 HydrophobicContact CG2-CB 3.49Å; T68-Q94 VanDerWaalsContact CG2-CB 3.49Å; V69-Q94 PolarHBondContact O-N 2.89Å; T70-Q94 VanDerWaalsContact CA-O 3.29Å; T70-Q94 WeakPolarHBondContact CA-O 3.49Å; T70-Q94 HydrophobicContact CG2-CB 4.49Å; T70-Q94 HydrophobicContact CG2-CG 4.24Å; T70-Q94 PolarHBondContact OG1-NE2 3.24Å; G71-Q94 PolarHBondContact N-O 3.31Å; L87-Q94 VanDerWaalsContact CD1-O 3.24Å; L87-Q94 WeakPolarHBondContact CD1-O 3.5Å; Q94-K134 HydrophobicContact CB-CB 3.82Å; Q94-K134 HydrophobicContact CG-CB 3.75Å; Q94-R223 VanDerWaalsContact NE2-NH1 3.16Å; Q94-R223 VanDerWaalsContact OE1-NH1 3.07Å
95I98.6Very high96.9Very high0 Ų034.9 Ų34.90%018%0.184CC..EExtended strand (participates in β ladder)trans-110.7140.1169.1-171.4169.4000110.7A73 I80 A83 V97 A128 F132 K134 V135 Q136A73-I95 HydrophobicContact CB-CD1 4.14Å; A73-I95 HydrophobicContact CB-CG1 4.41Å; I80-I95 HydrophobicContact CB-CD1 4.02Å; I80-I95 HydrophobicContact CG1-CD1 3.89Å; I80-I95 HydrophobicContact CG2-CD1 3.69Å; A83-I95 HydrophobicContact CB-CD1 4.2Å; A83-I95 HydrophobicContact CB-CG1 4.44Å; I95-V97 HydrophobicContact CD1-CG2 3.96Å; I95-V97 HydrophobicContact CG1-CG2 3.94Å; I95-A128 HydrophobicContact CD1-CB 4.28Å; I95-A128 HydrophobicContact CG2-CB 3.99Å; I95-F132 HydrophobicContact CB-CD1 4.17Å; I95-F132 HydrophobicContact CB-CD2 3.71Å; I95-F132 HydrophobicContact CB-CE1 4.19Å; I95-F132 HydrophobicContact CB-CE2 3.75Å; I95-F132 HydrophobicContact CB-CG 3.9Å; I95-F132 HydrophobicContact CB-CZ 3.95Å; I95-F132 HydrophobicContact CD1-CD2 4.09Å; I95-F132 HydrophobicContact CD1-CE2 3.7Å; I95-F132 HydrophobicContact CD1-CZ 4.38Å; I95-F132 HydrophobicContact CG1-CD2 4.5Å; I95-F132 HydrophobicContact CG1-CE2 4.23Å; I95-F132 HydrophobicContact CG2-CB 3.77Å; I95-F132 HydrophobicContact CG2-CD1 4.31Å; I95-F132 HydrophobicContact CG2-CD2 3.53Å; I95-F132 HydrophobicContact CG2-CE2 4.09Å; I95-F132 HydrophobicContact CG2-CG 3.63Å; I95-K134 PolarHBondContact N-O 2.72Å; I95-V135 HydrophobicContact CG2-CB 4.31Å; I95-V135 HydrophobicContact CG2-CG1 4.24Å; I95-V135 HydrophobicContact CG2-CG2 3.93Å; I95-Q136 PolarHBondContact O-N 3.2Å
96H98.6Very high96.6Very high6 Ų631.6 Ų31.63%0.02817%0.169CC..EExtended strand (participates in β ladder)trans-113.9112171.8177.3-172.1000109.5E43 T70 G71 L72 A73 Q136 S138E43-H96 IonicContact OE2-CE1 3.1Å; E43-H96 IonicContact OE2-CG 3.22Å; E43-H96 IonicContact OE2-ND1 2.94Å; E43-H96 PolarHBondContact OE2-ND1 3.1Å; T70-H96 HydrophobicContact CG2-CB 3.57Å; G71-H96 PolarHBondContact O-N 3.35Å; L72-H96 CarbonylContact C-O 3.47Å; L72-H96 WeakPolarHBondContact CA-O 3.46Å; L72-H96 HydrophobicContact CD1-CB 4.14Å; L72-H96 WeakPolarHBondContact CD1-ND1 3.48Å; A73-H96 PolarHBondContact N-O 3.24Å; H96-Q136 HydrophobicContact CB-CB 4.34Å; H96-Q136 PolarHBondContact ND1-NE2 2.89Å; H96-S138 WeakPolarHBondContact NE2-CB 3.36Å; H96-S138 PolarHBondContact NE2-OG 2.72Å
97V98.3Very high96.4Very high0 Ų037.4 Ų37.40%020%0.196CC..EExtended strand (participates in β ladder)trans-107.2140177.1-170.70000109.9A73 C75 I80 I95 A128 Q136 F137 S138A73-V97 WeakPolarHBondContact O-CA 3.47Å; C75-V97 HydrophobicContact CB-CG1 4.48Å; C75-V97 WeakPolarHBondContact SG-CG1 3.34Å; I80-V97 HydrophobicContact CG1-CG2 4.36Å; I95-V97 HydrophobicContact CD1-CG2 3.96Å; I95-V97 HydrophobicContact CG1-CG2 3.94Å; V97-A128 HydrophobicContact CG2-CB 3.94Å; V97-Q136 PolarHBondContact N-O 3.49Å; V97-F137 CarbonylContact O-C 3.53Å; V97-F137 VanDerWaalsContact O-CA 3.27Å; V97-F137 WeakPolarHBondContact O-CA 3.33Å; V97-F137 WeakPolarHBondContact O-CD2 3.44Å; V97-S138 PolarHBondContact O-N 3.32Å
98F98Very high96.2Very high40 Ų4045.1 Ų45.118%0.17523%0.226CC..EExtended strand (participates in β ladder)trans-137.1152.4179.473.7-80.3000113.2L72 A73 R74 S138 E140L72-F98 HydrophobicContact CD1-CD1 3.69Å; L72-F98 HydrophobicContact CD1-CE1 4.02Å; L72-F98 HydrophobicContact CD2-CD1 4.49Å; L72-F98 HydrophobicContact CD2-CE1 4.01Å; L72-F98 HydrophobicContact CG-CD1 4.12Å; L72-F98 HydrophobicContact CG-CE1 3.94Å; A73-F98 VanDerWaalsContact O-CD1 3.31Å; A73-F98 WeakPolarHBondContact O-CD1 3.21Å; A73-F98 PolarHBondContact O-N 3.35Å; R74-F98 HydrophobicContact CB-CE1 4.47Å; R74-F98 HydrophobicContact CG-CE1 3.73Å; R74-F98 HydrophobicContact CG-CE2 4.43Å; R74-F98 HydrophobicContact CG-CZ 3.57Å; F98-S138 WeakPolarHBondContact CA-O 3.45Å; F98-E140 HydrophobicContact CD2-CB 4.22Å
99L97.7Very high95.9Very high16 Ų1643.9 Ų43.98%0.08422%0.221CC..EExtended strand (participates in β ladder)trans-149.4138.4170.5-170.562.1000110C75 L110 V117 I121 F137 S138 P139 E140C75-L99 HydrophobicContact CB-CD1 4.44Å; L99-L110 HydrophobicContact CD1-CD1 3.77Å; L99-L110 HydrophobicContact CD1-CD2 4.24Å; L99-L110 HydrophobicContact CG-CD1 4.13Å; L99-V117 HydrophobicContact CD2-CB 4.43Å; L99-V117 HydrophobicContact CD2-CG1 3.89Å; L99-I121 HydrophobicContact CD2-CG1 3.97Å; L99-F137 HydrophobicContact CB-CE2 4.22Å; L99-F137 HydrophobicContact CB-CZ 4.38Å; L99-S138 PolarHBondContact N-O 3.39Å; L99-S138 VanDerWaalsContact N-O 3.13Å; L99-P139 CarbonylContact O-C 3.59Å; L99-P139 WeakPolarHBondContact O-CA 3.47Å; L99-E140 PolarHBondContact O-N 3.35Å
100A96.5Very high95.8Very high0 Ų042.3 Ų42.30%021%0.212CC..EExtended strand (participates in β ladder)trans-68.3134.7178.600000112.2H105 L110 E140A100-H105 HydrophobicContact CB-CB 3.43Å; A100-H105 VanDerWaalsContact CB-CB 3.43Å; A100-L110 HydrophobicContact CB-CD1 3.9Å; A100-L110 HydrophobicContact CB-CG 4.32Å; A100-L110 WeakPolarHBondContact O-CD1 3.43Å; A100-E140 WeakPolarHBondContact CA-O 3.35Å; A100-E140 HydrophobicContact CB-CB 4.28Å; A100-E140 HydrophobicContact CB-CG 4.44Å; A100-E140 WeakPolarHBondContact CB-OE2 3.45Å
101T97.2Very high95.6Very high0 Ų049.9 Ų49.90%024%0.242CC..  trans-121.3-12.3-176.457.70000114.4M106 V117 P139 E140 T145 A153T101-M106 WeakPolarHBondContact O-CE 3.33Å; T101-V117 HydrophobicContact CG2-CG1 4.36Å; T101-P139 HydrophobicContact CG2-CB 3.66Å; T101-P139 WeakPolarHBondContact OG1-CB 3.5Å; T101-E140 PolarHBondContact N-O 3.06Å; T101-T145 VanDerWaalsContact C-OG1 3.28Å; T101-T145 WeakPolarHBondContact O-CG2 3.46Å; T101-T145 PolarHBondContact OG1-OG1 2.58Å; T101-A153 HydrophobicContact CG2-CB 4.07Å
102S96Very high95.5Very high0 Ų048.6 Ų48.60%023%0.231CC..SBendtrans-67.4146.6177.769.10000111.5V104 H105 M106 D141 T145S102-V104 PolarHBondContact O-N 3.47Å; S102-V104 VanDerWaalsContact O-N 3.16Å; S102-V104 WeakPolarHBondContact OG-CG1 3.14Å; S102-H105 PolarHBondContact O-N 3Å; S102-H105 WeakPolarHBondContact OG-CB 3.39Å; S102-H105 PolarHBondContact OG-N 3.36Å; S102-M106 WeakPolarHBondContact O-CG 3.39Å; S102-M106 PolarHBondContact O-N 3.41Å; S102-D141 WeakPolarHBondContact CB-OD2 3.42Å; S102-D141 PolarHBondContact OG-OD2 3.2Å; S102-T145 WeakPolarHBondContact CA-OG1 3.32Å; S102-T145 PolarHBondContact N-OG1 3.05Å; S102-T145 VanDerWaalsContact N-OG1 3.16Å
103D93.6Very high95.5Very high72 Ų7249.4 Ų49.439%0.38524%0.238SC..Hα-helixtrans-56.5-37-178.6-69.7-32.5000111.2M106 Q107 R114D103-M106 WeakPolarHBondContact OD1-CE 3.33Å; D103-Q107 VanDerWaalsContact O-CB 3.24Å; D103-Q107 WeakPolarHBondContact O-CB 3.47Å; D103-Q107 PolarHBondContact O-N 2.98Å; D103-R114 IonicContact OD1-CZ 3.79Å; D103-R114 IonicContact OD1-NE 2.72Å; D103-R114 IonicContact OD1-NH2 2.76Å; D103-R114 PolarHBondContact OD1-NH2 3.31Å; D103-R114 IonicContact OD2-NH2 2.73Å
104V93.7Very high95.4Very high62 Ų6251.1 Ų51.138%0.37624%0.238SC..Hα-helixtrans-65.5-42.6177.166.80000112.2S102 Y108S102-V104 PolarHBondContact O-N 3.47Å; S102-V104 VanDerWaalsContact O-N 3.16Å; S102-V104 WeakPolarHBondContact OG-CG1 3.14Å; V104-Y108 HydrophobicContact CG2-CD2 3.81Å; V104-Y108 HydrophobicContact CG2-CE2 4.33Å; V104-Y108 WeakPolarHBondContact O-CB 3.31Å; V104-Y108 VanDerWaalsContact O-CD2 3.31Å; V104-Y108 WeakPolarHBondContact O-CD2 3.33Å; V104-Y108 PolarHBondContact O-N 3.4Å
105H93Very high95.3Very high35 Ų3557.4 Ų57.416%0.16227%0.267CS..Hα-helixtrans-72.5-40177.5-75.5167.8000112.1A100 S102 Q107 K109 L110 D141A100-H105 HydrophobicContact CB-CB 3.43Å; A100-H105 VanDerWaalsContact CB-CB 3.43Å; S102-H105 PolarHBondContact O-N 3Å; S102-H105 WeakPolarHBondContact OG-CB 3.39Å; S102-H105 PolarHBondContact OG-N 3.36Å; H105-Q107 VanDerWaalsContact C-N 3.35Å; H105-Q107 PolarHBondContact O-N 2.92Å; H105-K109 HydrophobicContact CB-CB 4.33Å; H105-K109 HydrophobicContact CB-CD 4.42Å; H105-K109 CarbonylContact O-C 3.58Å; H105-K109 WeakPolarHBondContact O-CA 3.29Å; H105-K109 VanDerWaalsContact O-CB 3.26Å; H105-K109 WeakPolarHBondContact O-CB 3.43Å; H105-K109 PolarHBondContact O-N 2.84Å; H105-L110 PolarHBondContact O-N 3.03Å; H105-D141 IonicContact CE1-OD2 3.63Å; H105-D141 WeakPolarHBondContact ND1-CB 3.05Å; H105-D141 IonicContact ND1-OD2 3.85Å
106M93.6Very high95.3Very high11 Ų1162.1 Ų62.15%0.05429%0.29CS..Iπ-helixtrans-59.7-46.8175.4-70.2-166.9-67.500111.4T101 S102 D103 K111 M112 R114 V117 F149T101-M106 WeakPolarHBondContact O-CE 3.33Å; S102-M106 WeakPolarHBondContact O-CG 3.39Å; S102-M106 PolarHBondContact O-N 3.41Å; D103-M106 WeakPolarHBondContact OD1-CE 3.33Å; M106-K111 VanDerWaalsContact O-CA 3.25Å; M106-K111 WeakPolarHBondContact O-CA 3.31Å; M106-K111 PolarHBondContact O-N 2.92Å; M106-M112 PolarHBondContact O-N 3.33Å; M106-R114 HydrophobicContact CE-CG 3.91Å; M106-R114 HydrophobicContact SD-CG 4.16Å; M106-V117 HydrophobicContact CG-CG2 3.96Å; M106-V117 HydrophobicContact SD-CB 4.33Å; M106-V117 HydrophobicContact SD-CG2 3.76Å; M106-F149 HydrophobicContact CE-CD1 3.98Å; M106-F149 HydrophobicContact CE-CE1 3.61Å; M106-F149 HydrophobicContact CE-CZ 4.34Å; M106-F149 HydrophobicContact SD-CD1 4.46Å; M106-F149 HydrophobicContact SD-CE1 3.51Å; M106-F149 VanDerWaalsContact SD-CE1 3.51Å; M106-F149 HydrophobicContact SD-CZ 3.85Å
107Q93Very high95.2Very high122 Ų12261.9 Ų61.957%0.5729%0.288SS*.Iπ-helixtrans-70.6-45.5-177.6-174.7176.6-0.100113.1D103 H105D103-Q107 VanDerWaalsContact O-CB 3.24Å; D103-Q107 WeakPolarHBondContact O-CB 3.47Å; D103-Q107 PolarHBondContact O-N 2.98Å; H105-Q107 VanDerWaalsContact C-N 3.35Å; H105-Q107 PolarHBondContact O-N 2.92Å
108Y92.9Very high95.2Very high164 Ų16462.9 Ų62.964%0.64329%0.294SS*.Iπ-helixtrans-107-26.7-167.3-60.5-73.4000114.6V104V104-Y108 HydrophobicContact CG2-CD2 3.81Å; V104-Y108 HydrophobicContact CG2-CE2 4.33Å; V104-Y108 WeakPolarHBondContact O-CB 3.31Å; V104-Y108 VanDerWaalsContact O-CD2 3.31Å; V104-Y108 WeakPolarHBondContact O-CD2 3.33Å; V104-Y108 PolarHBondContact O-N 3.4Å
109K91.2Very high95.2Very high108 Ų10863.8 Ų63.847%0.4731%0.309SS..Iπ-helixtrans-98.3-56.8-178.6-179.4-174.5-180-1770111.8H105 E140H105-K109 HydrophobicContact CB-CB 4.33Å; H105-K109 HydrophobicContact CB-CD 4.42Å; H105-K109 CarbonylContact O-C 3.58Å; H105-K109 WeakPolarHBondContact O-CA 3.29Å; H105-K109 VanDerWaalsContact O-CB 3.26Å; H105-K109 WeakPolarHBondContact O-CB 3.43Å; H105-K109 PolarHBondContact O-N 2.84Å; K109-E140 IonicContact NZ-OE1 2.99Å; K109-E140 PolarHBondContact NZ-OE1 3.23Å; K109-E140 IonicContact NZ-OE2 2.71Å; K109-E140 PolarHBondContact NZ-OE2 3.1Å
110L92.8Very high95.2Very high47 Ų4763.9 Ų63.925%0.24631%0.31CS..Iπ-helixtrans-84.6-33.4-174.6-60.8-177.4000113.1L99 A100 H105 M112 V117L99-L110 HydrophobicContact CD1-CD1 3.77Å; L99-L110 HydrophobicContact CD1-CD2 4.24Å; L99-L110 HydrophobicContact CG-CD1 4.13Å; A100-L110 HydrophobicContact CB-CD1 3.9Å; A100-L110 HydrophobicContact CB-CG 4.32Å; A100-L110 WeakPolarHBondContact O-CD1 3.43Å; H105-L110 PolarHBondContact O-N 3.03Å; L110-M112 VanDerWaalsContact C-N 3.28Å; L110-M112 HydrophobicContact CB-CB 4.18Å; L110-M112 HydrophobicContact CB-CG 4.09Å; L110-M112 HydrophobicContact CB-SD 4.19Å; L110-M112 HydrophobicContact CD1-SD 4.41Å; L110-V117 HydrophobicContact CD1-CG2 4.36Å
111K93.7Very high95.3Very high171 Ų17163.9 Ų63.974%0.74331%0.31SS*.  trans55.144.9-170-56179.1-179.9177.40111.7M106M106-K111 VanDerWaalsContact O-CA 3.25Å; M106-K111 WeakPolarHBondContact O-CA 3.31Å; M106-K111 PolarHBondContact O-N 2.92Å
112M94.6Very high95.4Very high71 Ų7170.2 Ų70.235%0.3534%0.338SS..  trans-118.2147.6179.9-72.8176.5167.500110.4M106 L110 E116 V117M106-M112 PolarHBondContact O-N 3.33Å; L110-M112 VanDerWaalsContact C-N 3.28Å; L110-M112 HydrophobicContact CB-CB 4.18Å; L110-M112 HydrophobicContact CB-CG 4.09Å; L110-M112 HydrophobicContact CB-SD 4.19Å; L110-M112 HydrophobicContact CD1-SD 4.41Å; M112-E116 VanDerWaalsContact CA-OE2 3.23Å; M112-E116 WeakPolarHBondContact CA-OE2 3.4Å; M112-E116 HydrophobicContact CB-CB 4.05Å; M112-E116 HydrophobicContact CG-CB 4.35Å; M112-V117 HydrophobicContact CB-CG2 3.84Å; M112-V117 HydrophobicContact SD-CG2 4.44Å
113T95.8Very high95.5Very high66 Ų6675 Ų7541%0.40536%0.36SS..  trans-76.3166.6167.880.50000111.1E115 E116 V117T113-E115 VanDerWaalsContact CB-OE2 3.27Å; T113-E115 WeakPolarHBondContact CB-OE2 3.47Å; T113-E115 PolarHBondContact O-N 3.1Å; T113-E115 PolarHBondContact OG1-N 3.18Å; T113-E115 PolarHBondContact OG1-OE2 3.03Å; T113-E116 PolarHBondContact N-OE2 3.26Å; T113-E116 PolarHBondContact O-N 3.43Å; T113-E116 PolarHBondContact OG1-N 3.27Å; T113-V117 WeakPolarHBondContact O-CG2 3.32Å; T113-V117 PolarHBondContact O-N 3.09Å
114R96.4Very high95.7Very high82 Ų8272.5 Ų72.531%0.30935%0.346SS..Hα-helixtrans-54.9-43.4174.7-74.8-173.6178.7-160.7-3.9111.1D103 M106 E116 V117 L118 E146 F149D103-R114 IonicContact OD1-CZ 3.79Å; D103-R114 IonicContact OD1-NE 2.72Å; D103-R114 IonicContact OD1-NH2 2.76Å; D103-R114 PolarHBondContact OD1-NH2 3.31Å; D103-R114 IonicContact OD2-NH2 2.73Å; M106-R114 HydrophobicContact CE-CG 3.91Å; M106-R114 HydrophobicContact SD-CG 4.16Å; R114-E116 PolarHBondContact O-N 3.01Å; R114-V117 PolarHBondContact O-N 3.46Å; R114-L118 VanDerWaalsContact O-CG 3.29Å; R114-L118 WeakPolarHBondContact O-CG 3.44Å; R114-L118 PolarHBondContact O-N 3.39Å; R114-E146 IonicContact CZ-OE2 3.82Å; R114-E146 IonicContact NH1-OE2 2.85Å; R114-E146 PolarHBondContact NH1-OE2 3.27Å; R114-E146 IonicContact NH2-OE2 2.76Å; R114-F149 HydrophobicContact CB-CD2 4.04Å; R114-F149 HydrophobicContact CB-CE2 3.44Å; R114-F149 VanDerWaalsContact CB-CE2 3.44Å; R114-F149 HydrophobicContact CB-CZ 3.83Å; R114-F149 HydrophobicContact CG-CD1 4.39Å; R114-F149 HydrophobicContact CG-CD2 3.85Å; R114-F149 HydrophobicContact CG-CE1 4.17Å; R114-F149 HydrophobicContact CG-CE2 3.6Å; R114-F149 HydrophobicContact CG-CG 4.24Å; R114-F149 HydrophobicContact CG-CZ 3.77Å
115E96.9Very high96Very high132 Ų13269.5 Ų69.562%0.61733%0.328SS*.Hα-helixtrans-65.7-39.3179.1-56.874.4-163.400112.5T113 L118 A119T113-E115 VanDerWaalsContact CB-OE2 3.27Å; T113-E115 WeakPolarHBondContact CB-OE2 3.47Å; T113-E115 PolarHBondContact O-N 3.1Å; T113-E115 PolarHBondContact OG1-N 3.18Å; T113-E115 PolarHBondContact OG1-OE2 3.03Å; E115-L118 PolarHBondContact O-N 3.3Å; E115-A119 WeakPolarHBondContact O-CB 3.47Å; E115-A119 PolarHBondContact O-N 3.16Å
116E97.2Very high96.2Very high100 Ų10070.4 Ų70.447%0.46734%0.338SS..Hα-helixtrans-66.7-38.8176.1-70176.1144.700111.6M112 T113 R114 A119 S120M112-E116 VanDerWaalsContact CA-OE2 3.23Å; M112-E116 WeakPolarHBondContact CA-OE2 3.4Å; M112-E116 HydrophobicContact CB-CB 4.05Å; M112-E116 HydrophobicContact CG-CB 4.35Å; T113-E116 PolarHBondContact N-OE2 3.26Å; T113-E116 PolarHBondContact O-N 3.43Å; T113-E116 PolarHBondContact OG1-N 3.27Å; R114-E116 PolarHBondContact O-N 3.01Å; E116-A119 PolarHBondContact O-N 2.91Å; E116-S120 WeakPolarHBondContact O-CB 3.43Å; E116-S120 PolarHBondContact O-N 2.72Å
117V97.4Very high96.5Very high0 Ų073 Ų730%035%0.348CS..Hα-helixtrans-61.9-50.1173.3168.90000110.5L99 T101 M106 L110 M112 T113 R114 A119 S120 I121 F149L99-V117 HydrophobicContact CD2-CB 4.43Å; L99-V117 HydrophobicContact CD2-CG1 3.89Å; T101-V117 HydrophobicContact CG2-CG1 4.36Å; M106-V117 HydrophobicContact CG-CG2 3.96Å; M106-V117 HydrophobicContact SD-CB 4.33Å; M106-V117 HydrophobicContact SD-CG2 3.76Å; L110-V117 HydrophobicContact CD1-CG2 4.36Å; M112-V117 HydrophobicContact CB-CG2 3.84Å; M112-V117 HydrophobicContact SD-CG2 4.44Å; T113-V117 WeakPolarHBondContact O-CG2 3.32Å; T113-V117 PolarHBondContact O-N 3.09Å; R114-V117 PolarHBondContact O-N 3.46Å; V117-A119 VanDerWaalsContact C-N 3.34Å; V117-A119 PolarHBondContact O-N 3.48Å; V117-S120 WeakPolarHBondContact O-CB 3.32Å; V117-S120 PolarHBondContact O-N 3.42Å; V117-I121 HydrophobicContact CG1-CD1 3.96Å; V117-I121 VanDerWaalsContact O-CG1 3.31Å; V117-I121 WeakPolarHBondContact O-CG1 3.31Å; V117-I121 PolarHBondContact O-N 3Å; V117-F149 HydrophobicContact CB-CZ 4.24Å; V117-F149 HydrophobicContact CG1-CE1 4.47Å; V117-F149 HydrophobicContact CG1-CZ 4.01Å
118L98.2Very high96.7Very high22 Ų2267.1 Ų67.112%0.11532%0.321CS..Hα-helixtrans-61-41.4177.9-64172.5000112.3R114 E115 S120 I121 K122 F149 E152 A153 T156R114-L118 VanDerWaalsContact O-CG 3.29Å; R114-L118 WeakPolarHBondContact O-CG 3.44Å; R114-L118 PolarHBondContact O-N 3.39Å; E115-L118 PolarHBondContact O-N 3.3Å; L118-S120 VanDerWaalsContact C-N 3.33Å; L118-S120 PolarHBondContact O-N 3.3Å; L118-I121 PolarHBondContact O-N 3.37Å; L118-K122 WeakPolarHBondContact O-CB 3.41Å; L118-K122 PolarHBondContact O-N 3.47Å; L118-F149 HydrophobicContact CD1-CE2 4.12Å; L118-F149 HydrophobicContact CD2-CE2 4.01Å; L118-F149 HydrophobicContact CD2-CZ 4.47Å; L118-F149 HydrophobicContact CG-CE2 3.93Å; L118-F149 HydrophobicContact CG-CZ 4.46Å; L118-E152 HydrophobicContact CD1-CG 3.8Å; L118-E152 WeakPolarHBondContact CD1-OE1 3.41Å; L118-E152 HydrophobicContact CD2-CG 4.02Å; L118-A153 HydrophobicContact CD2-CB 4.13Å; L118-T156 HydrophobicContact CB-CG2 4.48Å; L118-T156 HydrophobicContact CD2-CG2 4.5Å; L118-T156 WeakPolarHBondContact O-CG2 3.46Å
119A98.1Very high97Very high59 Ų5963.9 Ų63.949%0.48831%0.307SS..Hα-helixtrans-61.9-41.7175.500000111.8E115 E116 V117 K122 E123E115-A119 WeakPolarHBondContact O-CB 3.47Å; E115-A119 PolarHBondContact O-N 3.16Å; E116-A119 PolarHBondContact O-N 2.91Å; V117-A119 VanDerWaalsContact C-N 3.34Å; V117-A119 PolarHBondContact O-N 3.48Å; A119-K122 PolarHBondContact O-N 3.24Å; A119-E123 PolarHBondContact O-N 2.87Å
120S97.9Very high97.3Very high17 Ų1762.7 Ų62.712%0.11931%0.312CS..Hα-helixtrans-65.9-43.4176.7-175.60000112.2E116 V117 L118 E123 H124E116-S120 WeakPolarHBondContact O-CB 3.43Å; E116-S120 PolarHBondContact O-N 2.72Å; V117-S120 WeakPolarHBondContact O-CB 3.32Å; V117-S120 PolarHBondContact O-N 3.42Å; L118-S120 VanDerWaalsContact C-N 3.33Å; L118-S120 PolarHBondContact O-N 3.3Å; S120-E123 PolarHBondContact O-N 3.4Å; S120-H124 WeakPolarHBondContact O-CB 3.25Å; S120-H124 PolarHBondContact O-N 2.89Å; S120-H124 PolarHBondContact O-ND1 3.19Å; S120-H124 PolarHBondContact OG-ND1 3.22Å
121I98.4Very high97.5Very high0 Ų062.8 Ų62.80%031%0.313CS..Hα-helixtrans-56.5-52.8173.9-67.3170.3000109.4L99 V117 L118 E123 H124 V125 F137 A153 T156 A157L99-I121 HydrophobicContact CD2-CG1 3.97Å; V117-I121 HydrophobicContact CG1-CD1 3.96Å; V117-I121 VanDerWaalsContact O-CG1 3.31Å; V117-I121 WeakPolarHBondContact O-CG1 3.31Å; V117-I121 PolarHBondContact O-N 3Å; L118-I121 PolarHBondContact O-N 3.37Å; I121-E123 PolarHBondContact O-N 3.28Å; I121-H124 PolarHBondContact O-N 2.91Å; I121-V125 HydrophobicContact CG2-CG2 4.03Å; I121-V125 VanDerWaalsContact O-CB 3.22Å; I121-V125 WeakPolarHBondContact O-CB 3.28Å; I121-V125 VanDerWaalsContact O-CG2 3.25Å; I121-V125 WeakPolarHBondContact O-CG2 3.17Å; I121-V125 PolarHBondContact O-N 3.41Å; I121-F137 HydrophobicContact CB-CZ 4.42Å; I121-F137 HydrophobicContact CD1-CE1 4.01Å; I121-F137 HydrophobicContact CD1-CE2 4.39Å; I121-F137 HydrophobicContact CD1-CZ 3.52Å; I121-F137 HydrophobicContact CG1-CE1 4.35Å; I121-F137 HydrophobicContact CG1-CE2 3.9Å; I121-F137 HydrophobicContact CG1-CZ 3.53Å; I121-F137 HydrophobicContact CG2-CE1 4.28Å; I121-F137 HydrophobicContact CG2-CE2 4.21Å; I121-F137 HydrophobicContact CG2-CZ 4.06Å; I121-A153 HydrophobicContact CD1-CB 3.9Å; I121-T156 HydrophobicContact CB-CG2 4.32Å; I121-T156 HydrophobicContact CG2-CG2 4.09Å; I121-A157 HydrophobicContact CG2-CB 3.7Å
122K98.5Very high97.7Very high134 Ų13455.1 Ų55.158%0.58328%0.28SS*.Hα-helixtrans-57-49-179.4-175.5174.2-177.3169.50112.2L118 A119 S126 T156L118-K122 WeakPolarHBondContact O-CB 3.41Å; L118-K122 PolarHBondContact O-N 3.47Å; A119-K122 PolarHBondContact O-N 3.24Å; K122-S126 WeakPolarHBondContact O-CB 3.27Å; K122-S126 PolarHBondContact O-N 3.11Å; K122-S126 VanDerWaalsContact O-N 3.16Å; K122-S126 PolarHBondContact O-OG 3.19Å; K122-S126 VanDerWaalsContact O-OG 3.04Å; K122-T156 HydrophobicContact CB-CG2 4.02Å
123E98.5Very high97.8Very high99 Ų9959 Ų5946%0.46330%0.297SS..Hα-helixtrans-61.4-50.6-179.5179.4175.6-170.500112.1K77 A119 S120 I121 Y127K77-E123 VanDerWaalsContact CE-OE1 3.23Å; K77-E123 WeakPolarHBondContact CE-OE1 3.26Å; K77-E123 IonicContact NZ-OE1 2.71Å; K77-E123 PolarHBondContact NZ-OE1 3.41Å; A119-E123 PolarHBondContact O-N 2.87Å; S120-E123 PolarHBondContact O-N 3.4Å; I121-E123 PolarHBondContact O-N 3.28Å; E123-Y127 WeakPolarHBondContact O-CB 3.4Å; E123-Y127 PolarHBondContact O-N 3.21Å
124H98.6Very high97.9Very high20 Ų2059 Ų599%0.09329%0.291CS..Hα-helixtrans-81-34.8-168.9-65.695.7000112.8C75 Q76 I80 S120 I121 Y127 A128C75-H124 HydrophobicContact CB-CB 3.86Å; C75-H124 PolarHBondContact O-CD2 2.8Å; C75-H124 PolarHBondContact O-CE1 3.36Å; C75-H124 PolarHBondContact O-NE2 3.43Å; Q76-H124 PolarHBondContact N-CD2 2.75Å; Q76-H124 VanDerWaalsContact N-CD2 3.34Å; I80-H124 HydrophobicContact CD1-CB 4.16Å; I80-H124 WeakPolarHBondContact CD1-O 3.32Å; S120-H124 WeakPolarHBondContact O-CB 3.25Å; S120-H124 PolarHBondContact O-N 2.89Å; S120-H124 PolarHBondContact O-ND1 3.19Å; S120-H124 PolarHBondContact OG-ND1 3.22Å; I121-H124 PolarHBondContact O-N 2.91Å; H124-Y127 PolarHBondContact O-N 3.18Å; H124-A128 WeakPolarHBondContact O-CB 3.28Å; H124-A128 PolarHBondContact O-N 3.15Å
125V98.6Very high98Very high0 Ų055 Ų550%028%0.277CS..Hα-helixtrans-68.3-41.6173.3176.60000110.4I121 Y127 A128 R129 V135 F137 A157 A160 A162I121-V125 HydrophobicContact CG2-CG2 4.03Å; I121-V125 VanDerWaalsContact O-CB 3.22Å; I121-V125 WeakPolarHBondContact O-CB 3.28Å; I121-V125 VanDerWaalsContact O-CG2 3.25Å; I121-V125 WeakPolarHBondContact O-CG2 3.17Å; I121-V125 PolarHBondContact O-N 3.41Å; V125-Y127 VanDerWaalsContact C-N 3.32Å; V125-Y127 PolarHBondContact O-N 3.2Å; V125-A128 PolarHBondContact O-N 2.84Å; V125-R129 WeakPolarHBondContact O-CB 3.42Å; V125-R129 PolarHBondContact O-N 2.95Å; V125-V135 HydrophobicContact CG1-CG1 4.1Å; V125-F137 HydrophobicContact CG2-CB 4.34Å; V125-F137 HydrophobicContact CG2-CD2 3.79Å; V125-F137 HydrophobicContact CG2-CE2 4.48Å; V125-F137 HydrophobicContact CG2-CG 4.21Å; V125-A157 WeakPolarHBondContact CG1-O 3.5Å; V125-A157 HydrophobicContact CG2-CB 4.39Å; V125-A160 HydrophobicContact CB-CB 3.81Å; V125-A160 HydrophobicContact CG1-CB 3.81Å; V125-A162 HydrophobicContact CG1-CB 3.96Å
126S98.6Very high98.1Very high53 Ų5348.8 Ų48.837%0.37125%0.247SC..Hα-helixtrans-64.2-37.1173.6-690000112.5K122 R129 S130 A160K122-S126 WeakPolarHBondContact O-CB 3.27Å; K122-S126 PolarHBondContact O-N 3.11Å; K122-S126 VanDerWaalsContact O-N 3.16Å; K122-S126 PolarHBondContact O-OG 3.19Å; K122-S126 VanDerWaalsContact O-OG 3.04Å; S126-R129 PolarHBondContact O-N 3.06Å; S126-S130 PolarHBondContact O-N 3.47Å; S126-S130 VanDerWaalsContact O-N 3.13Å; S126-A160 VanDerWaalsContact CA-O 3.26Å; S126-A160 WeakPolarHBondContact CA-O 3.5Å; S126-A160 PolarHBondContact N-O 2.99Å; S126-A160 WeakPolarHBondContact OG-CB 3.34Å; S126-A160 PolarHBondContact OG-O 2.79Å; S126-A160 VanDerWaalsContact OG-O 3.04Å
127Y98.6Very high98.2Very high65 Ų6544 Ų4426%0.25523%0.225SC..Hα-helixtrans-65.1-46.5173.7-171.2-108.4000111.7K77 I80 D81 E123 H124 V125 R129 S130 L131K77-Y127 HydrophobicContact CB-CD1 4.07Å; K77-Y127 HydrophobicContact CB-CE1 3.76Å; K77-Y127 HydrophobicContact CD-CD1 4.37Å; K77-Y127 HydrophobicContact CD-CD2 4.27Å; K77-Y127 HydrophobicContact CD-CE1 4.39Å; K77-Y127 HydrophobicContact CD-CE2 4.28Å; K77-Y127 HydrophobicContact CD-CG 4.31Å; K77-Y127 HydrophobicContact CG-CD1 3.7Å; K77-Y127 HydrophobicContact CG-CD2 4.45Å; K77-Y127 HydrophobicContact CG-CE1 3.85Å; K77-Y127 HydrophobicContact CG-CG 4.02Å; I80-Y127 HydrophobicContact CB-CD1 4.11Å; I80-Y127 HydrophobicContact CB-CE1 4.24Å; I80-Y127 HydrophobicContact CD1-CD1 3.92Å; I80-Y127 HydrophobicContact CG2-CD1 3.75Å; I80-Y127 HydrophobicContact CG2-CE1 3.91Å; D81-Y127 VanDerWaalsContact OD1-CE1 3.29Å; D81-Y127 WeakPolarHBondContact OD1-CE1 3.42Å; D81-Y127 PolarHBondContact OD1-OH 3.06Å; E123-Y127 WeakPolarHBondContact O-CB 3.4Å; E123-Y127 PolarHBondContact O-N 3.21Å; H124-Y127 PolarHBondContact O-N 3.18Å; V125-Y127 VanDerWaalsContact C-N 3.32Å; V125-Y127 PolarHBondContact O-N 3.2Å; Y127-R129 VanDerWaalsContact C-N 3.33Å; Y127-R129 PolarHBondContact O-N 2.92Å; Y127-S130 WeakPolarHBondContact O-CB 3.33Å; Y127-S130 PolarHBondContact O-N 3.1Å; Y127-S130 VanDerWaalsContact O-N 3.09Å; Y127-S130 PolarHBondContact O-OG 3.39Å; Y127-L131 HydrophobicContact CE1-CD1 3.98Å
128A98.5Very high98.2Very high0 Ų044.2 Ų44.20%023%0.226CC..Hα-helixtrans-58-43.5174.500000112.2I80 I95 V97 H124 V125 S130 L131 F132 V135I80-A128 HydrophobicContact CD1-CB 4.3Å; I80-A128 HydrophobicContact CG2-CB 4.35Å; I95-A128 HydrophobicContact CD1-CB 4.28Å; I95-A128 HydrophobicContact CG2-CB 3.99Å; V97-A128 HydrophobicContact CG2-CB 3.94Å; H124-A128 WeakPolarHBondContact O-CB 3.28Å; H124-A128 PolarHBondContact O-N 3.15Å; V125-A128 PolarHBondContact O-N 2.84Å; A128-S130 PolarHBondContact O-N 3.38Å; A128-L131 PolarHBondContact O-N 3.41Å; A128-F132 PolarHBondContact O-N 3.49Å; A128-V135 HydrophobicContact CB-CG1 4.03Å; A128-V135 HydrophobicContact CB-CG2 4.31Å
129R98Very high98.2Very high95 Ų9543.1 Ų43.136%0.35822%0.221SC..Hα-helixtrans-62.5-27.1176179.959.3-173.1-174.84.2113.4V125 S126 Y127 L131 E133 V135V125-R129 WeakPolarHBondContact O-CB 3.42Å; V125-R129 PolarHBondContact O-N 2.95Å; S126-R129 PolarHBondContact O-N 3.06Å; Y127-R129 VanDerWaalsContact C-N 3.33Å; Y127-R129 PolarHBondContact O-N 2.92Å; R129-L131 PolarHBondContact O-N 2.96Å; R129-E133 PolarHBondContact NH1-O 2.57Å; R129-V135 HydrophobicContact CB-CG2 4.2Å
130S98Very high98.2Very high83 Ų8342 Ų4258%0.5821%0.206SC*.Hα-helixtrans-70.3-17.3174.880.20000113.7S126 Y127 A128S126-S130 PolarHBondContact O-N 3.47Å; S126-S130 VanDerWaalsContact O-N 3.13Å; Y127-S130 WeakPolarHBondContact O-CB 3.33Å; Y127-S130 PolarHBondContact O-N 3.1Å; Y127-S130 VanDerWaalsContact O-N 3.09Å; Y127-S130 PolarHBondContact O-OG 3.39Å; A128-S130 PolarHBondContact O-N 3.38Å
131L97.8Very high98.1Very high50 Ų5041.2 Ų41.226%0.26220%0.2SC..Hα-helixtrans-113.6-26.7-177.6-62.8176000113I80 Y84 Y127 A128 R129I80-L131 HydrophobicContact CG2-CD1 3.88Å; Y84-L131 HydrophobicContact CD2-CB 3.85Å; Y84-L131 HydrophobicContact CE1-CD2 4.47Å; Y84-L131 HydrophobicContact CE2-CB 4.19Å; Y84-L131 WeakPolarHBondContact CE2-O 3.33Å; Y84-L131 HydrophobicContact CG-CB 4.29Å; Y84-L131 HydrophobicContact CG-CD1 4.37Å; Y127-L131 HydrophobicContact CE1-CD1 3.98Å; A128-L131 PolarHBondContact O-N 3.41Å; R129-L131 PolarHBondContact O-N 2.96Å
132F97.8Very high98Very high10 Ų1041.2 Ų41.24%0.04420%0.2CC..  trans-129.4142-176.3-66.5-93000112.5Y84 L87 P93 I95 A128 V135Y84-F132 VanDerWaalsContact CA-CZ 3.42Å; Y84-F132 HydrophobicContact CD2-CD2 4.38Å; Y84-F132 HydrophobicContact CD2-CE1 4.37Å; Y84-F132 AromaticContact CD2-CE2 3.89Å; Y84-F132 HydrophobicContact CD2-CE2 3.89Å; Y84-F132 AromaticContact CD2-CZ 3.92Å; Y84-F132 HydrophobicContact CD2-CZ 3.92Å; Y84-F132 HydrophobicContact CG-CE2 4.32Å; Y84-F132 HydrophobicContact CG-CZ 4.4Å; L87-F132 HydrophobicContact CB-CE1 4.42Å; L87-F132 HydrophobicContact CD1-CE1 3.84Å; L87-F132 HydrophobicContact CD1-CZ 4.11Å; P93-F132 HydrophobicContact CB-CD1 4.29Å; P93-F132 HydrophobicContact CB-CE1 4.13Å; I95-F132 HydrophobicContact CB-CD1 4.17Å; I95-F132 HydrophobicContact CB-CD2 3.71Å; I95-F132 HydrophobicContact CB-CE1 4.19Å; I95-F132 HydrophobicContact CB-CE2 3.75Å; I95-F132 HydrophobicContact CB-CG 3.9Å; I95-F132 HydrophobicContact CB-CZ 3.95Å; I95-F132 HydrophobicContact CD1-CD2 4.09Å; I95-F132 HydrophobicContact CD1-CE2 3.7Å; I95-F132 HydrophobicContact CD1-CZ 4.38Å; I95-F132 HydrophobicContact CG1-CD2 4.5Å; I95-F132 HydrophobicContact CG1-CE2 4.23Å; I95-F132 HydrophobicContact CG2-CB 3.77Å; I95-F132 HydrophobicContact CG2-CD1 4.31Å; I95-F132 HydrophobicContact CG2-CD2 3.53Å; I95-F132 HydrophobicContact CG2-CE2 4.09Å; I95-F132 HydrophobicContact CG2-CG 3.63Å; A128-F132 PolarHBondContact O-N 3.49Å; F132-V135 HydrophobicContact CB-CG2 4.12Å
133E96.5Very high97.8Very high153 Ų15335.9 Ų35.972%0.71518%0.179SC*.SBendtrans-78.2-37.3169.7-172.4177172.900111.8R129R129-E133 PolarHBondContact NH1-O 2.57Å
134K97.8Very high97.7Very high64 Ų6436 Ų3628%0.27818%0.175SC..EExtended strand (participates in β ladder)trans-99108.6176.7-67.3178.7177.21740109.8T68 D92 Q94 I95 I164T68-K134 HydrophobicContact CG2-CD 4.3Å; D92-K134 WeakPolarHBondContact OD1-CE 3.33Å; D92-K134 IonicContact OD1-NZ 3.77Å; D92-K134 PolarHBondContact OD1-NZ 3.06Å; D92-K134 IonicContact OD2-NZ 3.53Å; D92-K134 PolarHBondContact OD2-NZ 3.42Å; Q94-K134 HydrophobicContact CB-CB 3.82Å; Q94-K134 HydrophobicContact CG-CB 3.75Å; I95-K134 PolarHBondContact N-O 2.72Å; K134-I164 HydrophobicContact CB-CD1 4.4Å
135V98.5Very high97.6Very high0 Ų035.6 Ų35.60%017%0.174CC..EExtended strand (participates in β ladder)trans-121.3112.9-179.7-178.90000108.4I95 V125 A128 R129 F132 T163 I164I95-V135 HydrophobicContact CG2-CB 4.31Å; I95-V135 HydrophobicContact CG2-CG1 4.24Å; I95-V135 HydrophobicContact CG2-CG2 3.93Å; V125-V135 HydrophobicContact CG1-CG1 4.1Å; A128-V135 HydrophobicContact CB-CG1 4.03Å; A128-V135 HydrophobicContact CB-CG2 4.31Å; R129-V135 HydrophobicContact CB-CG2 4.2Å; F132-V135 HydrophobicContact CB-CG2 4.12Å; V135-T163 PolarHBondContact N-OG1 3.08Å; V135-T163 VanDerWaalsContact N-OG1 3.14Å; V135-T163 PolarHBondContact O-N 2.83Å; V135-T163 PolarHBondContact O-OG1 2.91Å; V135-I164 PolarHBondContact O-N 3.44Å; V135-I164 VanDerWaalsContact O-N 3.11Å
136Q98.7Very high97.4Very high0 Ų038.8 Ų38.80%019%0.189CC..EExtended strand (participates in β ladder)trans-94.6131.6171.5-178.5168.1-6300109.9I95 H96 V97 I164 N166 E225I95-Q136 PolarHBondContact O-N 3.2Å; H96-Q136 HydrophobicContact CB-CB 4.34Å; H96-Q136 PolarHBondContact ND1-NE2 2.89Å; V97-Q136 PolarHBondContact N-O 3.49Å; Q136-I164 CarbonylContact C-O 2.85Å; Q136-I164 VanDerWaalsContact CA-O 3.3Å; Q136-I164 WeakPolarHBondContact CA-O 3.37Å; Q136-I164 HydrophobicContact CB-CB 4Å; Q136-I164 HydrophobicContact CB-CG2 4.41Å; Q136-I164 HydrophobicContact CG-CB 4.08Å; Q136-I164 HydrophobicContact CG-CG2 3.98Å; Q136-N166 HydrophobicContact CG-CB 4.08Å; Q136-E225 PolarHBondContact NE2-OE1 2.78Å; Q136-E225 PolarHBondContact OE1-OE1 3.08Å
137F98.7Very high97.2Very high0 Ų043.4 Ų43.40%020%0.203CC..EExtended strand (participates in β ladder)trans-114.9133.9170.9178.5-106.3000111.5V97 L99 I121 V125 P139 A157 A162 I164 I165 N166V97-F137 CarbonylContact O-C 3.53Å; V97-F137 VanDerWaalsContact O-CA 3.27Å; V97-F137 WeakPolarHBondContact O-CA 3.33Å; V97-F137 WeakPolarHBondContact O-CD2 3.44Å; L99-F137 HydrophobicContact CB-CE2 4.22Å; L99-F137 HydrophobicContact CB-CZ 4.38Å; I121-F137 HydrophobicContact CB-CZ 4.42Å; I121-F137 HydrophobicContact CD1-CE1 4.01Å; I121-F137 HydrophobicContact CD1-CE2 4.39Å; I121-F137 HydrophobicContact CD1-CZ 3.52Å; I121-F137 HydrophobicContact CG1-CE1 4.35Å; I121-F137 HydrophobicContact CG1-CE2 3.9Å; I121-F137 HydrophobicContact CG1-CZ 3.53Å; I121-F137 HydrophobicContact CG2-CE1 4.28Å; I121-F137 HydrophobicContact CG2-CE2 4.21Å; I121-F137 HydrophobicContact CG2-CZ 4.06Å; V125-F137 HydrophobicContact CG2-CB 4.34Å; V125-F137 HydrophobicContact CG2-CD2 3.79Å; V125-F137 HydrophobicContact CG2-CE2 4.48Å; V125-F137 HydrophobicContact CG2-CG 4.21Å; F137-P139 HydrophobicContact CE1-CB 4.27Å; F137-P139 HydrophobicContact CE1-CG 4.47Å; F137-A157 HydrophobicContact CB-CB 3.89Å; F137-A157 HydrophobicContact CD1-CB 3.31Å; F137-A157 HydrophobicContact CD2-CB 4.49Å; F137-A157 HydrophobicContact CE1-CB 3.97Å; F137-A157 HydrophobicContact CG-CB 3.63Å; F137-A162 HydrophobicContact CB-CB 4.1Å; F137-I164 PolarHBondContact N-O 3.27Å; F137-I165 HydrophobicContact CB-CD1 4.28Å; F137-N166 PolarHBondContact O-N 3.45Å
138S98.5Very high97.1Very high4 Ų446.2 Ų46.23%0.02822%0.222CC..EExtended strand (participates in β ladder)trans-115.4112.8172.2-65.90000111.7H96 V97 F98 L99 E140 N166H96-S138 WeakPolarHBondContact NE2-CB 3.36Å; H96-S138 PolarHBondContact NE2-OG 2.72Å; V97-S138 PolarHBondContact O-N 3.32Å; F98-S138 WeakPolarHBondContact CA-O 3.45Å; L99-S138 PolarHBondContact N-O 3.39Å; L99-S138 VanDerWaalsContact N-O 3.13Å; S138-E140 VanDerWaalsContact C-N 3.32Å; S138-E140 PolarHBondContact O-N 2.99Å; S138-N166 WeakPolarHBondContact CA-O 3.39Å; S138-N166 VanDerWaalsContact OG-CB 3.3Å; S138-N166 WeakPolarHBondContact OG-CB 3.23Å; S138-N166 PolarHBondContact OG-ND2 2.97Å
139P97.9Very high97Very high0 Ų046.2 Ų46.20%022%0.222CC..EExtended strand (participates in β ladder)trans-63.690.8155.125.8-35.8000110L99 T101 F137 D141 A142 L150 V154 N166 P168L99-P139 CarbonylContact O-C 3.59Å; L99-P139 WeakPolarHBondContact O-CA 3.47Å; T101-P139 HydrophobicContact CG2-CB 3.66Å; T101-P139 WeakPolarHBondContact OG1-CB 3.5Å; F137-P139 HydrophobicContact CE1-CB 4.27Å; F137-P139 HydrophobicContact CE1-CG 4.47Å; P139-D141 PolarHBondContact O-N 2.91Å; P139-A142 HydrophobicContact CB-CB 4.28Å; P139-A142 HydrophobicContact CG-CB 4.04Å; P139-A142 VanDerWaalsContact O-CB 3.3Å; P139-A142 WeakPolarHBondContact O-CB 3.49Å; P139-A142 PolarHBondContact O-N 3.08Å; P139-A142 VanDerWaalsContact O-N 3.12Å; P139-L150 HydrophobicContact CB-CD1 3.78Å; P139-L150 HydrophobicContact CG-CD1 3.75Å; P139-V154 HydrophobicContact CG-CG2 4.18Å; P139-N166 VanDerWaalsContact CD-O 3.29Å; P139-N166 WeakPolarHBondContact CD-O 3.47Å; P139-P168 WeakPolarHBondContact O-CD 3.49Å; P139-P168 VanDerWaalsContact O-CG 3.23Å; P139-P168 WeakPolarHBondContact O-CG 3.43Å
140E97.1Very high97Very high36 Ų3642 Ų4217%0.16821%0.207CC..EExtended strand (participates in β ladder)trans-57.1134178.5173.4-166.9-155.400109.6F98 L99 A100 T101 K109 S138 T170F98-E140 HydrophobicContact CD2-CB 4.22Å; L99-E140 PolarHBondContact O-N 3.35Å; A100-E140 WeakPolarHBondContact CA-O 3.35Å; A100-E140 HydrophobicContact CB-CB 4.28Å; A100-E140 HydrophobicContact CB-CG 4.44Å; A100-E140 WeakPolarHBondContact CB-OE2 3.45Å; T101-E140 PolarHBondContact N-O 3.06Å; K109-E140 IonicContact NZ-OE1 2.99Å; K109-E140 PolarHBondContact NZ-OE1 3.23Å; K109-E140 IonicContact NZ-OE2 2.71Å; K109-E140 PolarHBondContact NZ-OE2 3.1Å; S138-E140 VanDerWaalsContact C-N 3.32Å; S138-E140 PolarHBondContact O-N 2.99Å; E140-T170 HydrophobicContact CG-CG2 4.37Å
141D95.8Very high97Very high0 Ų040.3 Ų40.30%019%0.191CC..THydrogen-bonded Turntrans67.131-174.6-159.135.3000115.2S102 H105 P139 S143 R144 T145 T170S102-D141 WeakPolarHBondContact CB-OD2 3.42Å; S102-D141 PolarHBondContact OG-OD2 3.2Å; H105-D141 IonicContact CE1-OD2 3.63Å; H105-D141 WeakPolarHBondContact ND1-CB 3.05Å; H105-D141 IonicContact ND1-OD2 3.85Å; P139-D141 PolarHBondContact O-N 2.91Å; D141-S143 VanDerWaalsContact C-N 3.26Å; D141-S143 PolarHBondContact O-N 3Å; D141-R144 PolarHBondContact O-N 3.23Å; D141-R144 IonicContact OD1-CZ 2.79Å; D141-R144 VanDerWaalsContact OD1-CZ 3.31Å; D141-R144 IonicContact OD1-NE 3.07Å; D141-R144 PolarHBondContact OD1-NE 2.96Å; D141-R144 IonicContact OD1-NH2 3.33Å; D141-R144 PolarHBondContact OD1-NH2 3.23Å; D141-R144 IonicContact OD2-CZ 2.63Å; D141-R144 VanDerWaalsContact OD2-CZ 3.29Å; D141-R144 IonicContact OD2-NE 2.73Å; D141-R144 PolarHBondContact OD2-NE 3.1Å; D141-R144 VanDerWaalsContact OD2-NE 3.15Å; D141-R144 IonicContact OD2-NH2 2.64Å; D141-R144 PolarHBondContact OD2-NH2 3.49Å; D141-T145 PolarHBondContact O-N 2.99Å; D141-T145 PolarHBondContact O-OG1 3.38Å; D141-T170 WeakPolarHBondContact CA-OG1 3.12Å; D141-T170 PolarHBondContact N-OG1 2.89Å
142A97.1Very high97Very high0 Ų042.8 Ų42.80%020%0.201CC..G310 helixtrans-53.7-35.4-177.500000114.6P139 R144 T145 L150 V167 P168P139-A142 HydrophobicContact CB-CB 4.28Å; P139-A142 HydrophobicContact CG-CB 4.04Å; P139-A142 VanDerWaalsContact O-CB 3.3Å; P139-A142 WeakPolarHBondContact O-CB 3.49Å; P139-A142 PolarHBondContact O-N 3.08Å; P139-A142 VanDerWaalsContact O-N 3.12Å; A142-R144 PolarHBondContact O-N 3.38Å; A142-R144 VanDerWaalsContact O-N 3.11Å; A142-T145 PolarHBondContact O-N 3.28Å; A142-T145 VanDerWaalsContact O-N 3.08Å; A142-L150 HydrophobicContact CB-CD1 3.84Å; A142-L150 HydrophobicContact CB-CD2 4.35Å; A142-V167 HydrophobicContact CB-CG1 3.7Å; A142-P168 PolarHBondContact N-O 3.44Å
143S95Very high97Very high21 Ų2142.3 Ų42.315%0.14720%0.199CC..G310 helixtrans-62-18.7179.562.10000113.8D141 P168 D169D141-S143 VanDerWaalsContact C-N 3.26Å; D141-S143 PolarHBondContact O-N 3Å; S143-P168 PolarHBondContact N-O 3Å; S143-D169 VanDerWaalsContact CB-OD1 3.28Å; S143-D169 WeakPolarHBondContact CB-OD1 3.42Å; S143-D169 PolarHBondContact OG-OD1 3.14Å
144R95Very high97.1Very high101 Ų10135 Ų3538%0.38117%0.165SC..G310 helixtrans-114.76.6177.1-58.3-171.9-61.3173.52.5113.2D141 A142D141-R144 PolarHBondContact O-N 3.23Å; D141-R144 IonicContact OD1-CZ 2.79Å; D141-R144 VanDerWaalsContact OD1-CZ 3.31Å; D141-R144 IonicContact OD1-NE 3.07Å; D141-R144 PolarHBondContact OD1-NE 2.96Å; D141-R144 IonicContact OD1-NH2 3.33Å; D141-R144 PolarHBondContact OD1-NH2 3.23Å; D141-R144 IonicContact OD2-CZ 2.63Å; D141-R144 VanDerWaalsContact OD2-CZ 3.29Å; D141-R144 IonicContact OD2-NE 2.73Å; D141-R144 PolarHBondContact OD2-NE 3.1Å; D141-R144 VanDerWaalsContact OD2-NE 3.15Å; D141-R144 IonicContact OD2-NH2 2.64Å; D141-R144 PolarHBondContact OD2-NH2 3.49Å; A142-R144 PolarHBondContact O-N 3.38Å; A142-R144 VanDerWaalsContact O-N 3.11Å
145T96.4Very high97.1Very high12 Ų1233.6 Ų33.67%0.07416%0.159CC..SBendtrans-78.4138.3173.2-58.60000109.8T101 S102 D141 A142 K147 F149 L150T101-T145 VanDerWaalsContact C-OG1 3.28Å; T101-T145 WeakPolarHBondContact O-CG2 3.46Å; T101-T145 PolarHBondContact OG1-OG1 2.58Å; S102-T145 WeakPolarHBondContact CA-OG1 3.32Å; S102-T145 PolarHBondContact N-OG1 3.05Å; S102-T145 VanDerWaalsContact N-OG1 3.16Å; D141-T145 PolarHBondContact O-N 2.99Å; D141-T145 PolarHBondContact O-OG1 3.38Å; A142-T145 PolarHBondContact O-N 3.28Å; A142-T145 VanDerWaalsContact O-N 3.08Å; T145-K147 PolarHBondContact O-N 2.89Å; T145-F149 HydrophobicContact CG2-CD1 3.89Å; T145-L150 HydrophobicContact CG2-CB 3.78Å; T145-L150 HydrophobicContact CG2-CD1 4.33Å
146E95.4Very high97.1Very high67 Ų6734.9 Ų34.931%0.31317%0.167SC..  trans-59.2134.4174.2-169.1-78.5116.100109.8R114 D148 F149 L150R114-E146 IonicContact CZ-OE2 3.82Å; R114-E146 IonicContact NH1-OE2 2.85Å; R114-E146 PolarHBondContact NH1-OE2 3.27Å; R114-E146 IonicContact NH2-OE2 2.76Å; E146-D148 PolarHBondContact O-N 3.04Å; E146-D148 PolarHBondContact OE1-N 3.18Å; E146-F149 PolarHBondContact O-N 3.44Å; E146-F149 PolarHBondContact OE2-N 3.06Å; E146-L150 PolarHBondContact O-N 2.71Å
147K94Very high97.1Very high151 Ų15134.9 Ų34.966%0.65717%0.167SC*.Hα-helixtrans-60-43.3-164-68-176.8178.8-177.30113.3T145 L150 L151T145-K147 PolarHBondContact O-N 2.89Å; K147-L150 PolarHBondContact O-N 3.3Å; K147-L151 PolarHBondContact O-N 3.17Å; K147-L151 VanDerWaalsContact O-N 3.08Å
148D95.9Very high97.1Very high123 Ų12335.3 Ų35.366%0.65817%0.169SC*.Hα-helixtrans-67.9-41.4-178.5-68.2-15.8000110.3E146 L151 E152E146-D148 PolarHBondContact O-N 3.04Å; E146-D148 PolarHBondContact OE1-N 3.18Å; D148-L151 PolarHBondContact O-N 2.72Å; D148-E152 PolarHBondContact O-N 3.5Å
149F97.5Very high97Very high1 Ų140.8 Ų40.80%0.00420%0.198CC..Hα-helixtrans-68.7-35.6175.5-173.2-117.5000113.3M106 R114 V117 L118 T145 E146 L151 E152 A153M106-F149 HydrophobicContact CE-CD1 3.98Å; M106-F149 HydrophobicContact CE-CE1 3.61Å; M106-F149 HydrophobicContact CE-CZ 4.34Å; M106-F149 HydrophobicContact SD-CD1 4.46Å; M106-F149 HydrophobicContact SD-CE1 3.51Å; M106-F149 VanDerWaalsContact SD-CE1 3.51Å; M106-F149 HydrophobicContact SD-CZ 3.85Å; R114-F149 HydrophobicContact CB-CD2 4.04Å; R114-F149 HydrophobicContact CB-CE2 3.44Å; R114-F149 VanDerWaalsContact CB-CE2 3.44Å; R114-F149 HydrophobicContact CB-CZ 3.83Å; R114-F149 HydrophobicContact CG-CD1 4.39Å; R114-F149 HydrophobicContact CG-CD2 3.85Å; R114-F149 HydrophobicContact CG-CE1 4.17Å; R114-F149 HydrophobicContact CG-CE2 3.6Å; R114-F149 HydrophobicContact CG-CG 4.24Å; R114-F149 HydrophobicContact CG-CZ 3.77Å; V117-F149 HydrophobicContact CB-CZ 4.24Å; V117-F149 HydrophobicContact CG1-CE1 4.47Å; V117-F149 HydrophobicContact CG1-CZ 4.01Å; L118-F149 HydrophobicContact CD1-CE2 4.12Å; L118-F149 HydrophobicContact CD2-CE2 4.01Å; L118-F149 HydrophobicContact CD2-CZ 4.47Å; L118-F149 HydrophobicContact CG-CE2 3.93Å; L118-F149 HydrophobicContact CG-CZ 4.46Å; T145-F149 HydrophobicContact CG2-CD1 3.89Å; E146-F149 PolarHBondContact O-N 3.44Å; E146-F149 PolarHBondContact OE2-N 3.06Å; F149-L151 VanDerWaalsContact C-N 3.33Å; F149-L151 PolarHBondContact O-N 2.59Å; F149-E152 PolarHBondContact O-N 3.44Å; F149-A153 WeakPolarHBondContact O-CB 3.12Å; F149-A153 PolarHBondContact O-N 3.44Å
150L97.8Very high97Very high7 Ų741.2 Ų41.24%0.03720%0.202CC..Hα-helixtrans-60.7-45174-179.161.6000110.6P139 A142 T145 E146 K147 A153 V154 I182 L186P139-L150 HydrophobicContact CB-CD1 3.78Å; P139-L150 HydrophobicContact CG-CD1 3.75Å; A142-L150 HydrophobicContact CB-CD1 3.84Å; A142-L150 HydrophobicContact CB-CD2 4.35Å; T145-L150 HydrophobicContact CG2-CB 3.78Å; T145-L150 HydrophobicContact CG2-CD1 4.33Å; E146-L150 PolarHBondContact O-N 2.71Å; K147-L150 PolarHBondContact O-N 3.3Å; L150-A153 PolarHBondContact O-N 3.36Å; L150-V154 HydrophobicContact CD1-CG2 4.24Å; L150-V154 WeakPolarHBondContact O-CB 3.33Å; L150-V154 VanDerWaalsContact O-CG2 3.29Å; L150-V154 WeakPolarHBondContact O-CG2 3.38Å; L150-V154 PolarHBondContact O-N 2.88Å; L150-I182 HydrophobicContact CD2-CG2 3.77Å; L150-L186 HydrophobicContact CD2-CD1 4.41Å; L150-L186 HydrophobicContact CG-CD2 4.33Å
151L97.7Very high97Very high46 Ų4640.1 Ų40.124%0.24120%0.2CC..Hα-helixtrans-60.9-44.1175.6-179.663.3000111.4K147 D148 F149 V154 Q155 L186 N189 I190K147-L151 PolarHBondContact O-N 3.17Å; K147-L151 VanDerWaalsContact O-N 3.08Å; D148-L151 PolarHBondContact O-N 2.72Å; F149-L151 VanDerWaalsContact C-N 3.33Å; F149-L151 PolarHBondContact O-N 2.59Å; L151-V154 PolarHBondContact O-N 3.05Å; L151-Q155 VanDerWaalsContact O-CB 3.26Å; L151-Q155 WeakPolarHBondContact O-CB 3.25Å; L151-Q155 PolarHBondContact O-N 3.26Å; L151-L186 HydrophobicContact CD1-CD2 4.14Å; L151-N189 HydrophobicContact CD1-CB 3.88Å; L151-N189 HydrophobicContact CD2-CB 3.8Å; L151-I190 HydrophobicContact CD1-CG2 3.96Å
152E97.6Very high97.1Very high102 Ų10240.1 Ų40.148%0.47720%0.2SC..Hα-helixtrans-63.3-42.6177.8-169.6177.5-165.400112.5L118 D148 F149 T156L118-E152 HydrophobicContact CD1-CG 3.8Å; L118-E152 WeakPolarHBondContact CD1-OE1 3.41Å; L118-E152 HydrophobicContact CD2-CG 4.02Å; D148-E152 PolarHBondContact O-N 3.5Å; F149-E152 PolarHBondContact O-N 3.44Å; E152-T156 VanDerWaalsContact O-CB 3.29Å; E152-T156 WeakPolarHBondContact O-CB 3.26Å; E152-T156 PolarHBondContact O-N 3.39Å; E152-T156 PolarHBondContact O-OG1 3.39Å
153A98.2Very high97.2Very high0 Ų041.3 Ų41.30%021%0.207CC..Hα-helixtrans-65.7-43.6177.500000112.2T101 L118 I121 F149 L150 T156 A157T101-A153 HydrophobicContact CG2-CB 4.07Å; L118-A153 HydrophobicContact CD2-CB 4.13Å; I121-A153 HydrophobicContact CD1-CB 3.9Å; F149-A153 WeakPolarHBondContact O-CB 3.12Å; F149-A153 PolarHBondContact O-N 3.44Å; L150-A153 PolarHBondContact O-N 3.36Å; A153-T156 PolarHBondContact O-N 3.35Å; A153-A157 PolarHBondContact O-N 2.97Å
154V98.2Very high97.3Very high0 Ų040.6 Ų40.60%020%0.202CC..Hα-helixtrans-64.9-47.1175.9167.90000111P139 L150 L151 T156 A157 I158 I165 L186 I190P139-V154 HydrophobicContact CG-CG2 4.18Å; L150-V154 HydrophobicContact CD1-CG2 4.24Å; L150-V154 WeakPolarHBondContact O-CB 3.33Å; L150-V154 VanDerWaalsContact O-CG2 3.29Å; L150-V154 WeakPolarHBondContact O-CG2 3.38Å; L150-V154 PolarHBondContact O-N 2.88Å; L151-V154 PolarHBondContact O-N 3.05Å; V154-T156 VanDerWaalsContact C-N 3.31Å; V154-T156 PolarHBondContact O-N 3.42Å; V154-A157 WeakPolarHBondContact O-CB 3.32Å; V154-A157 PolarHBondContact O-N 3.04Å; V154-A157 VanDerWaalsContact O-N 3.16Å; V154-I158 HydrophobicContact CG1-CD1 3.86Å; V154-I158 WeakPolarHBondContact O-CG1 3.43Å; V154-I158 PolarHBondContact O-N 2.73Å; V154-I165 HydrophobicContact CG1-CD1 4.21Å; V154-I165 HydrophobicContact CG1-CG1 4.02Å; V154-I165 HydrophobicContact CG1-CG2 3.86Å; V154-I165 HydrophobicContact CG2-CG2 3.91Å; V154-L186 HydrophobicContact CB-CD2 4.26Å; V154-L186 HydrophobicContact CG1-CD2 4.4Å; V154-L186 HydrophobicContact CG2-CD1 4.42Å; V154-L186 HydrophobicContact CG2-CD2 4.14Å; V154-I190 HydrophobicContact CG1-CG2 3.89Å
155Q98.2Very high97.5Very high35 Ų3535.8 Ų35.816%0.16418%0.184CC..Hα-helixtrans-59.8-43.1177.2-173.362.557.400111.1L151 A157 I158 D159 Q191L151-Q155 VanDerWaalsContact O-CB 3.26Å; L151-Q155 WeakPolarHBondContact O-CB 3.25Å; L151-Q155 PolarHBondContact O-N 3.26Å; Q155-A157 VanDerWaalsContact C-N 3.3Å; Q155-A157 PolarHBondContact O-N 3.13Å; Q155-I158 PolarHBondContact O-N 3.47Å; Q155-D159 PolarHBondContact NE2-OD1 3.19Å; Q155-D159 WeakPolarHBondContact O-CB 3.31Å; Q155-D159 VanDerWaalsContact O-CG 3.23Å; Q155-D159 PolarHBondContact O-N 3.27Å; Q155-Q191 PolarHBondContact NE2-O 2.83Å
156T98.4Very high97.6Very high27 Ų2735.3 Ų35.317%0.16618%0.181CC..Hα-helixtrans-60.3-39.4176.5-62.10000112.1L118 I121 K122 E152 A153 V154 A160L118-T156 HydrophobicContact CB-CG2 4.48Å; L118-T156 HydrophobicContact CD2-CG2 4.5Å; L118-T156 WeakPolarHBondContact O-CG2 3.46Å; I121-T156 HydrophobicContact CB-CG2 4.32Å; I121-T156 HydrophobicContact CG2-CG2 4.09Å; K122-T156 HydrophobicContact CB-CG2 4.02Å; E152-T156 VanDerWaalsContact O-CB 3.29Å; E152-T156 WeakPolarHBondContact O-CB 3.26Å; E152-T156 PolarHBondContact O-N 3.39Å; E152-T156 PolarHBondContact O-OG1 3.39Å; A153-T156 PolarHBondContact O-N 3.35Å; V154-T156 VanDerWaalsContact C-N 3.31Å; V154-T156 PolarHBondContact O-N 3.42Å; T156-A160 WeakPolarHBondContact O-CB 3.38Å; T156-A160 PolarHBondContact O-N 3.1Å
157A98.4Very high97.7Very high0 Ų032.1 Ų32.10%017%0.166CC..Hα-helixtrans-67.4-42.9175.700000112.1I121 V125 F137 A153 V154 Q155 A160 G161 A162 I165I121-A157 HydrophobicContact CG2-CB 3.7Å; V125-A157 WeakPolarHBondContact CG1-O 3.5Å; V125-A157 HydrophobicContact CG2-CB 4.39Å; F137-A157 HydrophobicContact CB-CB 3.89Å; F137-A157 HydrophobicContact CD1-CB 3.31Å; F137-A157 HydrophobicContact CD2-CB 4.49Å; F137-A157 HydrophobicContact CE1-CB 3.97Å; F137-A157 HydrophobicContact CG-CB 3.63Å; A153-A157 PolarHBondContact O-N 2.97Å; V154-A157 WeakPolarHBondContact O-CB 3.32Å; V154-A157 PolarHBondContact O-N 3.04Å; V154-A157 VanDerWaalsContact O-N 3.16Å; Q155-A157 VanDerWaalsContact C-N 3.3Å; Q155-A157 PolarHBondContact O-N 3.13Å; A157-A160 PolarHBondContact O-N 2.99Å; A157-G161 PolarHBondContact O-N 2.95Å; A157-G161 VanDerWaalsContact O-N 3.13Å; A157-A162 HydrophobicContact CB-CB 4.12Å; A157-A162 VanDerWaalsContact O-CB 3.26Å; A157-A162 WeakPolarHBondContact O-CB 3.28Å; A157-A162 PolarHBondContact O-N 3.46Å; A157-I165 HydrophobicContact CB-CD1 4.18Å
158I98.1Very high97.9Very high8 Ų825.2 Ų25.24%0.04114%0.136CC..Hα-helixtrans-60.8-49.9176.6-68.3168000110.2V154 Q155 A160 G161 I165 I190 S192 I196V154-I158 HydrophobicContact CG1-CD1 3.86Å; V154-I158 WeakPolarHBondContact O-CG1 3.43Å; V154-I158 PolarHBondContact O-N 2.73Å; Q155-I158 PolarHBondContact O-N 3.47Å; I158-A160 PolarHBondContact O-N 3.48Å; I158-G161 PolarHBondContact O-N 3.43Å; I158-I165 HydrophobicContact CD1-CG1 4.18Å; I158-I165 HydrophobicContact CG1-CD1 3.91Å; I158-I165 HydrophobicContact CG1-CG1 3.98Å; I158-I190 HydrophobicContact CD1-CB 4.03Å; I158-I190 HydrophobicContact CD1-CD1 3.7Å; I158-I190 HydrophobicContact CD1-CG1 4.48Å; I158-I190 HydrophobicContact CD1-CG2 3.94Å; I158-S192 WeakPolarHBondContact CG2-OG 3.41Å; I158-I196 HydrophobicContact CD1-CG1 4.16Å; I158-I196 HydrophobicContact CD1-CG2 4.31Å; I158-I196 HydrophobicContact CG1-CD1 4.28Å; I158-I196 HydrophobicContact CG1-CG1 4.3Å; I158-I196 HydrophobicContact CG1-CG2 4.47Å; I158-I196 HydrophobicContact CG2-CD1 4Å; I158-I196 HydrophobicContact CG2-CG1 4.26Å
159D97.7Very high98Very high120 Ų12019.3 Ų19.364%0.64211%0.105SC*.Hα-helixtrans-61-31.1178.3-67.6-11000112.1Q155 G161Q155-D159 PolarHBondContact NE2-OD1 3.19Å; Q155-D159 WeakPolarHBondContact O-CB 3.31Å; Q155-D159 VanDerWaalsContact O-CG 3.23Å; Q155-D159 PolarHBondContact O-N 3.27Å; D159-G161 VanDerWaalsContact C-N 3.31Å
160A97.9Very high97.9Very high9 Ų920.4 Ų20.47%0.07411%0.111CC..Hα-helixtrans-78.7-11.6176.300000113.7V125 S126 T156 A157 I158V125-A160 HydrophobicContact CB-CB 3.81Å; V125-A160 HydrophobicContact CG1-CB 3.81Å; S126-A160 VanDerWaalsContact CA-O 3.26Å; S126-A160 WeakPolarHBondContact CA-O 3.5Å; S126-A160 PolarHBondContact N-O 2.99Å; S126-A160 WeakPolarHBondContact OG-CB 3.34Å; S126-A160 PolarHBondContact OG-O 2.79Å; S126-A160 VanDerWaalsContact OG-O 3.04Å; T156-A160 WeakPolarHBondContact O-CB 3.38Å; T156-A160 PolarHBondContact O-N 3.1Å; A157-A160 PolarHBondContact O-N 2.99Å; I158-A160 PolarHBondContact O-N 3.48Å
161G97.1Very high97.7Very high12 Ų1221.8 Ų21.812%0.12412%0.12CC..THydrogen-bonded Turntrans117.310.8173.600000116.3A157 I158 D159 T163A157-G161 PolarHBondContact O-N 2.95Å; A157-G161 VanDerWaalsContact O-N 3.13Å; I158-G161 PolarHBondContact O-N 3.43Å; D159-G161 VanDerWaalsContact C-N 3.31Å; G161-T163 PolarHBondContact O-N 2.89Å
162A98.1Very high97.5Very high0 Ų019.7 Ų19.70%011%0.11CC..  trans-62.4132.6171.600000110.5V125 F137 A157 I165V125-A162 HydrophobicContact CG1-CB 3.96Å; F137-A162 HydrophobicContact CB-CB 4.1Å; A157-A162 HydrophobicContact CB-CB 4.12Å; A157-A162 VanDerWaalsContact O-CB 3.26Å; A157-A162 WeakPolarHBondContact O-CB 3.28Å; A157-A162 PolarHBondContact O-N 3.46Å; A162-I165 HydrophobicContact CB-CD1 3.93Å
163T97.7Very high97.3Very high25 Ų2522 Ų2215%0.15312%0.115CC..SBendtrans-104.7-17.9176.348.20000112.1V135 G161 S197V135-T163 PolarHBondContact N-OG1 3.08Å; V135-T163 VanDerWaalsContact N-OG1 3.14Å; V135-T163 PolarHBondContact O-N 2.83Å; V135-T163 PolarHBondContact O-OG1 2.91Å; G161-T163 PolarHBondContact O-N 2.89Å; T163-S197 PolarHBondContact O-N 3.11Å; T163-S197 VanDerWaalsContact O-N 3.14Å
164I98.4Very high97.2Very high6 Ų622.1 Ų22.13%0.03112%0.116CC..EExtended strand (participates in β ladder)trans-128.9134.7173.8-52100.3000109.5K134 V135 Q136 F137 S197K134-I164 HydrophobicContact CB-CD1 4.4Å; V135-I164 PolarHBondContact O-N 3.44Å; V135-I164 VanDerWaalsContact O-N 3.11Å; Q136-I164 CarbonylContact C-O 2.85Å; Q136-I164 VanDerWaalsContact CA-O 3.3Å; Q136-I164 WeakPolarHBondContact CA-O 3.37Å; Q136-I164 HydrophobicContact CB-CB 4Å; Q136-I164 HydrophobicContact CB-CG2 4.41Å; Q136-I164 HydrophobicContact CG-CB 4.08Å; Q136-I164 HydrophobicContact CG-CG2 3.98Å; F137-I164 PolarHBondContact N-O 3.27Å; I164-S197 CarbonylContact C-O 3.52Å; I164-S197 VanDerWaalsContact CA-O 3.31Å; I164-S197 WeakPolarHBondContact CA-O 3.44Å; I164-S197 WeakPolarHBondContact CG2-O 3.02Å
165I98.6Very high97.1Very high0 Ų024.5 Ų24.50%013%0.129CC..EExtended strand (participates in β ladder)trans-113.8115.3173.1-59.2-61.7000108.3F137 V154 A157 I158 A162 V167 I196 S197 F198 S199F137-I165 HydrophobicContact CB-CD1 4.28Å; V154-I165 HydrophobicContact CG1-CD1 4.21Å; V154-I165 HydrophobicContact CG1-CG1 4.02Å; V154-I165 HydrophobicContact CG1-CG2 3.86Å; V154-I165 HydrophobicContact CG2-CG2 3.91Å; A157-I165 HydrophobicContact CB-CD1 4.18Å; I158-I165 HydrophobicContact CD1-CG1 4.18Å; I158-I165 HydrophobicContact CG1-CD1 3.91Å; I158-I165 HydrophobicContact CG1-CG1 3.98Å; A162-I165 HydrophobicContact CB-CD1 3.93Å; I165-V167 HydrophobicContact CG2-CG2 4.17Å; I165-I196 HydrophobicContact CB-CG2 4.39Å; I165-I196 HydrophobicContact CG1-CG2 3.73Å; I165-S197 PolarHBondContact N-O 3.02Å; I165-F198 HydrophobicContact CB-CD1 4.12Å; I165-F198 HydrophobicContact CB-CE1 4.1Å; I165-F198 HydrophobicContact CG2-CD1 4.29Å; I165-F198 HydrophobicContact CG2-CE1 4.16Å; I165-F198 WeakPolarHBondContact O-CA 3.23Å; I165-S199 PolarHBondContact O-N 3.48Å
166N98.5Very high97.1Very high2 Ų224.7 Ų24.71%0.01113%0.133CC..EExtended strand (participates in β ladder)trans-97.2128.5173.2174.343.3000110Q136 F137 S138 P139 P168 S199 H201 E225Q136-N166 HydrophobicContact CG-CB 4.08Å; F137-N166 PolarHBondContact O-N 3.45Å; S138-N166 WeakPolarHBondContact CA-O 3.39Å; S138-N166 VanDerWaalsContact OG-CB 3.3Å; S138-N166 WeakPolarHBondContact OG-CB 3.23Å; S138-N166 PolarHBondContact OG-ND2 2.97Å; P139-N166 VanDerWaalsContact CD-O 3.29Å; P139-N166 WeakPolarHBondContact CD-O 3.47Å; N166-P168 WeakPolarHBondContact O-CD 3.32Å; N166-S199 WeakPolarHBondContact CA-O 3.29Å; N166-S199 PolarHBondContact OD1-O 2.85Å; N166-H201 WeakPolarHBondContact OD1-CB 3.24Å; N166-E225 PolarHBondContact ND2-OE2 3.21Å
167V98.2Very high97Very high0 Ų029 Ų290%016%0.16CC..EExtended strand (participates in β ladder)trans-11190-175.7-174.80000108.5A142 I165 Y179 I182 F183 L186 S199A142-V167 HydrophobicContact CB-CG1 3.7Å; I165-V167 HydrophobicContact CG2-CG2 4.17Å; V167-Y179 PolarHBondContact O-OH 3.37Å; V167-I182 HydrophobicContact CG1-CG2 3.87Å; V167-F183 HydrophobicContact CB-CE1 4.4Å; V167-F183 HydrophobicContact CB-CE2 3.92Å; V167-F183 HydrophobicContact CB-CZ 3.67Å; V167-F183 HydrophobicContact CG1-CE2 4.24Å; V167-F183 HydrophobicContact CG1-CZ 4.48Å; V167-F183 HydrophobicContact CG2-CE1 4.25Å; V167-F183 HydrophobicContact CG2-CE2 4.46Å; V167-F183 HydrophobicContact CG2-CZ 4.01Å; V167-L186 HydrophobicContact CG1-CD1 4.44Å; V167-L186 HydrophobicContact CG2-CD1 3.67Å; V167-S199 PolarHBondContact N-O 3.33Å
168P97.7Very high97Very high6 Ų634.1 Ų34.14%0.03918%0.184CC..EExtended strand (participates in β ladder)trans-78.3134.3-17429.9-35.9000113.1P139 A142 S143 N166 T170 H201P139-P168 WeakPolarHBondContact O-CD 3.49Å; P139-P168 VanDerWaalsContact O-CG 3.23Å; P139-P168 WeakPolarHBondContact O-CG 3.43Å; A142-P168 PolarHBondContact N-O 3.44Å; S143-P168 PolarHBondContact N-O 3Å; N166-P168 WeakPolarHBondContact O-CD 3.32Å; P168-T170 VanDerWaalsContact C-N 3.29Å; P168-T170 PolarHBondContact O-N 3.49Å; P168-H201 CarbonylContact C-O 3.56Å; P168-H201 WeakPolarHBondContact CA-O 3.32Å; P168-H201 HydrophobicContact CB-CB 4.21Å
169D97.5Very high97Very high0 Ų033.8 Ų33.80%018%0.182CC..EExtended strand (participates in β ladder)trans-89.672157.2-173.415.8000108.6S143 V171 G172 Y173 S174 Y179 H201 C202 H203 N212S143-D169 VanDerWaalsContact CB-OD1 3.28Å; S143-D169 WeakPolarHBondContact CB-OD1 3.42Å; S143-D169 PolarHBondContact OG-OD1 3.14Å; D169-V171 PolarHBondContact O-N 3.33Å; D169-G172 PolarHBondContact O-N 2.78Å; D169-G172 PolarHBondContact OD1-N 2.7Å; D169-G172 WeakPolarHBondContact OD2-CA 3.34Å; D169-Y173 PolarHBondContact OD1-N 2.6Å; D169-Y173 VanDerWaalsContact OD1-N 3.12Å; D169-Y173 PolarHBondContact OD2-N 2.9Å; D169-Y173 VanDerWaalsContact OD2-N 3.16Å; D169-S174 WeakPolarHBondContact OD2-CB 3.5Å; D169-S174 PolarHBondContact OD2-N 2.91Å; D169-Y179 HydrophobicContact CB-CD2 4.21Å; D169-Y179 HydrophobicContact CB-CE2 3.8Å; D169-H201 PolarHBondContact N-O 2.91Å; D169-C202 HydrophobicContact CB-CB 4.43Å; D169-H203 PolarHBondContact O-N 3.44Å; D169-H203 VanDerWaalsContact O-N 3.17Å; D169-N212 PolarHBondContact OD2-ND2 3.02Å
170T95.3Very high97Very high23 Ų2328 Ų2814%0.14115%0.151CC..THydrogen-bonded Turntrans-54.7-29.9-167.8-61.10000113.9E140 D141 P168 H203 R234E140-T170 HydrophobicContact CG-CG2 4.37Å; D141-T170 WeakPolarHBondContact CA-OG1 3.12Å; D141-T170 PolarHBondContact N-OG1 2.89Å; P168-T170 VanDerWaalsContact C-N 3.29Å; P168-T170 PolarHBondContact O-N 3.49Å; T170-H203 PolarHBondContact O-CD2 3.34Å; T170-H203 VanDerWaalsContact O-CG 3.32Å; T170-R234 PolarHBondContact O-NH2 2.97Å
171V93.9Very high97Very high37 Ų3730 Ų3022%0.22417%0.167CC..THydrogen-bonded Turntrans-110.56.9-178.4-640000113.1D169 Y173 D205D169-V171 PolarHBondContact O-N 3.33Å; V171-Y173 PolarHBondContact O-N 2.9Å; V171-D205 WeakPolarHBondContact O-CB 3.31Å
172G95.1Very high97Very high2 Ų230.5 Ų30.52%0.02117%0.167CC..SBendtrans58.532.7-179.800000114.4D169 H203 L206D169-G172 PolarHBondContact O-N 2.78Å; D169-G172 PolarHBondContact OD1-N 2.7Å; D169-G172 WeakPolarHBondContact OD2-CA 3.34Å; G172-H203 WeakPolarHBondContact CA-O 3.32Å; G172-L206 WeakPolarHBondContact O-CB 3.33Å; G172-L206 VanDerWaalsContact O-CG 3.27Å; G172-L206 WeakPolarHBondContact O-CG 3.2Å; G172-L206 PolarHBondContact O-N 3.19Å
173Y93Very high97Very high149 Ų14930.5 Ų30.558%0.58417%0.167SC*.  trans-91.3-24.9-171.6172.8-95.8000113.1D169 V171 L206D169-Y173 PolarHBondContact OD1-N 2.6Å; D169-Y173 VanDerWaalsContact OD1-N 3.12Å; D169-Y173 PolarHBondContact OD2-N 2.9Å; D169-Y173 VanDerWaalsContact OD2-N 3.16Å; V171-Y173 PolarHBondContact O-N 2.9Å; Y173-L206 WeakPolarHBondContact O-CD1 3.02Å
174S95.2Very high97Very high3 Ų334.1 Ų34.12%0.02118%0.18CC..  trans-75.8160-173.6-1570000111.7D169 Y179 M208 N212D169-S174 WeakPolarHBondContact OD2-CB 3.5Å; D169-S174 PolarHBondContact OD2-N 2.91Å; S174-Y179 PolarHBondContact OG-N 3.13Å; S174-M208 VanDerWaalsContact O-CE 3.28Å; S174-M208 WeakPolarHBondContact O-CE 3.35Å; S174-N212 PolarHBondContact O-ND2 3.36Å
175N96.7Very high96.9Very high50 Ų5036.2 Ų36.227%0.26720%0.196SC..  trans-106.2162.6169.969.671.8000110.5T177 E178 Y179 M208N175-T177 VanDerWaalsContact C-N 3.26Å; N175-T177 PolarHBondContact O-N 2.8Å; N175-T177 VanDerWaalsContact O-N 3.12Å; N175-T177 WeakPolarHBondContact OD1-CB 3.29Å; N175-T177 PolarHBondContact OD1-N 3.44Å; N175-T177 VanDerWaalsContact OD1-N 3.13Å; N175-E178 WeakPolarHBondContact ND2-CG 3.24Å; N175-E178 PolarHBondContact ND2-OE1 3.38Å; N175-E178 PolarHBondContact ND2-OE2 2.84Å; N175-E178 PolarHBondContact O-N 2.83Å; N175-E178 VanDerWaalsContact O-N 3.15Å; N175-E178 PolarHBondContact OD1-N 2.86Å; N175-Y179 WeakPolarHBondContact O-CB 3.2Å; N175-Y179 PolarHBondContact O-N 2.81Å; N175-M208 HydrophobicContact CB-CE 4.2Å; N175-M208 HydrophobicContact CB-SD 4.26Å
176P97.6Very high96.8Very high40 Ų4036.4 Ų36.426%0.2620%0.197SC..Hα-helixtrans-58.6-35-171.6-29.536.1000114.1G180 A211 N212 A215P176-G180 PolarHBondContact O-N 3.48Å; P176-A211 HydrophobicContact CG-CB 3.66Å; P176-N212 WeakPolarHBondContact CA-OD1 3.33Å; P176-N212 WeakPolarHBondContact CD-OD1 3.43Å; P176-N212 WeakPolarHBondContact CG-OD1 2.83Å; P176-A215 HydrophobicContact CB-CB 3.85Å; P176-A215 WeakPolarHBondContact O-CB 3.47Å
177T97.6Very high96.7Very high117 Ų11739.2 Ų39.272%0.71821%0.211SC*.Hα-helixtrans-70.2-46-179.8-59.20000111.4N175 A181N175-T177 VanDerWaalsContact C-N 3.26Å; N175-T177 PolarHBondContact O-N 2.8Å; N175-T177 VanDerWaalsContact O-N 3.12Å; N175-T177 WeakPolarHBondContact OD1-CB 3.29Å; N175-T177 PolarHBondContact OD1-N 3.44Å; N175-T177 VanDerWaalsContact OD1-N 3.13Å; T177-A181 WeakPolarHBondContact O-CB 3.23Å; T177-A181 PolarHBondContact O-N 3.5Å; T177-A181 VanDerWaalsContact O-N 3.12Å
178E96.9Very high96.6Very high108 Ų10845.4 Ų45.451%0.50524%0.24SC..Hα-helixtrans-67-44.6178-75.4179.3-17100111.7N175 A181 I182N175-E178 WeakPolarHBondContact ND2-CG 3.24Å; N175-E178 PolarHBondContact ND2-OE1 3.38Å; N175-E178 PolarHBondContact ND2-OE2 2.84Å; N175-E178 PolarHBondContact O-N 2.83Å; N175-E178 VanDerWaalsContact O-N 3.15Å; N175-E178 PolarHBondContact OD1-N 2.86Å; E178-A181 WeakPolarHBondContact O-CB 3.36Å; E178-A181 PolarHBondContact O-N 3.4Å; E178-I182 PolarHBondContact O-N 2.73Å; E178-I182 VanDerWaalsContact O-N 3.15Å
179Y97.9Very high96.6Very high0 Ų049.2 Ų49.20%026%0.26CS..Hα-helixtrans-66.1-44.9-178.6-168.1-110.2000111.7V167 D169 S174 N175 A181 I182 F183 H201 C202 N212 A216V167-Y179 PolarHBondContact O-OH 3.37Å; D169-Y179 HydrophobicContact CB-CD2 4.21Å; D169-Y179 HydrophobicContact CB-CE2 3.8Å; S174-Y179 PolarHBondContact OG-N 3.13Å; N175-Y179 WeakPolarHBondContact O-CB 3.2Å; N175-Y179 PolarHBondContact O-N 2.81Å; Y179-A181 VanDerWaalsContact C-N 3.28Å; Y179-A181 PolarHBondContact O-N 3.03Å; Y179-I182 HydrophobicContact CD2-CD1 4.49Å; Y179-I182 WeakPolarHBondContact O-CB 3.11Å; Y179-I182 PolarHBondContact O-N 2.89Å; Y179-I182 VanDerWaalsContact O-N 3.1Å; Y179-F183 HydrophobicContact CD1-CD2 4.39Å; Y179-F183 HydrophobicContact CD1-CE2 4.12Å; Y179-F183 HydrophobicContact CE1-CD2 4.21Å; Y179-F183 AromaticContact CE1-CE2 3.52Å; Y179-F183 HydrophobicContact CE1-CE2 3.52Å; Y179-F183 HydrophobicContact CE1-CZ 4.37Å; Y179-F183 HydrophobicContact CE2-CE2 4.1Å; Y179-F183 AromaticContact CZ-CE2 3.51Å; Y179-F183 PolarHBondContact O-N 3.29Å; Y179-H201 PolarHBondContact OH-N 2.99Å; Y179-C202 WeakPolarHBondContact CE1-SG 3.25Å; Y179-C202 PolarHBondContact OH-SG 3.24Å; Y179-N212 HydrophobicContact CD1-CB 3.69Å; Y179-N212 VanDerWaalsContact CD1-O 3.25Å; Y179-N212 WeakPolarHBondContact CD1-O 3.43Å; Y179-N212 HydrophobicContact CE1-CB 4.15Å; Y179-N212 HydrophobicContact CG-CB 4.13Å; Y179-A216 HydrophobicContact CD1-CB 4.09Å; Y179-A216 HydrophobicContact CE1-CB 3.77Å
180G97.8Very high96.5Very high0 Ų050.6 Ų50.60%027%0.267CS..Hα-helixtrans-58.7-37.9172.700000113P176 I182 F183 K184 N219P176-G180 PolarHBondContact O-N 3.48Å; G180-I182 VanDerWaalsContact C-N 3.3Å; G180-I182 PolarHBondContact O-N 2.82Å; G180-F183 PolarHBondContact O-N 3.29Å; G180-K184 PolarHBondContact O-N 2.75Å; G180-N219 WeakPolarHBondContact CA-ND2 3.35Å; G180-N219 WeakPolarHBondContact O-CB 3.42Å; G180-N219 VanDerWaalsContact O-CG 3.28Å
181A97.5Very high96.4Very high49 Ų4956.8 Ų56.841%0.40529%0.294SS..Hα-helixtrans-65.6-30.4176.400000113.2T177 E178 Y179 S185T177-A181 WeakPolarHBondContact O-CB 3.23Å; T177-A181 PolarHBondContact O-N 3.5Å; T177-A181 VanDerWaalsContact O-N 3.12Å; E178-A181 WeakPolarHBondContact O-CB 3.36Å; E178-A181 PolarHBondContact O-N 3.4Å; Y179-A181 VanDerWaalsContact C-N 3.28Å; Y179-A181 PolarHBondContact O-N 3.03Å; A181-S185 VanDerWaalsContact O-CB 3.23Å; A181-S185 WeakPolarHBondContact O-CB 3.43Å; A181-S185 PolarHBondContact O-N 2.88Å
182I97.5Very high96.4Very high24 Ų2457.6 Ų57.612%0.12330%0.301CS..Hα-helixtrans-63-49.5172.8-64.1169.2000109.8L150 V167 E178 Y179 G180 K184 S185 L186L150-I182 HydrophobicContact CD2-CG2 3.77Å; V167-I182 HydrophobicContact CG1-CG2 3.87Å; E178-I182 PolarHBondContact O-N 2.73Å; E178-I182 VanDerWaalsContact O-N 3.15Å; Y179-I182 HydrophobicContact CD2-CD1 4.49Å; Y179-I182 WeakPolarHBondContact O-CB 3.11Å; Y179-I182 PolarHBondContact O-N 2.89Å; Y179-I182 VanDerWaalsContact O-N 3.1Å; G180-I182 VanDerWaalsContact C-N 3.3Å; G180-I182 PolarHBondContact O-N 2.82Å; I182-K184 PolarHBondContact O-N 2.97Å; I182-S185 PolarHBondContact O-N 3.08Å; I182-L186 HydrophobicContact CG2-CD1 3.98Å; I182-L186 HydrophobicContact CG2-CG 4.42Å; I182-L186 WeakPolarHBondContact O-CG 3.49Å; I182-L186 PolarHBondContact O-N 3.01Å
183F98Very high96.2Very high0 Ų067.5 Ų67.50%035%0.347CS..Hα-helixtrans-58.9-48.4177.7-84.1-94.7000112V167 Y179 G180 S185 L186 I187 F198 S199 A216 N219 A221V167-F183 HydrophobicContact CB-CE1 4.4Å; V167-F183 HydrophobicContact CB-CE2 3.92Å; V167-F183 HydrophobicContact CB-CZ 3.67Å; V167-F183 HydrophobicContact CG1-CE2 4.24Å; V167-F183 HydrophobicContact CG1-CZ 4.48Å; V167-F183 HydrophobicContact CG2-CE1 4.25Å; V167-F183 HydrophobicContact CG2-CE2 4.46Å; V167-F183 HydrophobicContact CG2-CZ 4.01Å; Y179-F183 HydrophobicContact CD1-CD2 4.39Å; Y179-F183 HydrophobicContact CD1-CE2 4.12Å; Y179-F183 HydrophobicContact CE1-CD2 4.21Å; Y179-F183 AromaticContact CE1-CE2 3.52Å; Y179-F183 HydrophobicContact CE1-CE2 3.52Å; Y179-F183 HydrophobicContact CE1-CZ 4.37Å; Y179-F183 HydrophobicContact CE2-CE2 4.1Å; Y179-F183 AromaticContact CZ-CE2 3.51Å; Y179-F183 PolarHBondContact O-N 3.29Å; G180-F183 PolarHBondContact O-N 3.29Å; F183-S185 VanDerWaalsContact C-N 3.33Å; F183-S185 PolarHBondContact O-N 2.69Å; F183-L186 PolarHBondContact O-N 2.81Å; F183-I187 WeakPolarHBondContact O-CB 3.4Å; F183-I187 VanDerWaalsContact O-CG1 3.28Å; F183-I187 WeakPolarHBondContact O-CG1 3.29Å; F183-I187 PolarHBondContact O-N 3.13Å; F183-F198 HydrophobicContact CD1-CB 4.08Å; F183-F198 HydrophobicContact CE1-CB 4.04Å; F183-S199 WeakPolarHBondContact CZ-O 3.46Å; F183-A216 HydrophobicContact CD1-CB 4.14Å; F183-A216 HydrophobicContact CD2-CB 3.49Å; F183-A216 VanDerWaalsContact CD2-CB 3.49Å; F183-A216 HydrophobicContact CE1-CB 4.1Å; F183-A216 HydrophobicContact CE2-CB 3.47Å; F183-A216 VanDerWaalsContact CE2-CB 3.47Å; F183-A216 HydrophobicContact CG-CB 3.85Å; F183-A216 HydrophobicContact CZ-CB 3.78Å; F183-N219 HydrophobicContact CB-CB 4.14Å; F183-A221 HydrophobicContact CD1-CB 3.64Å; F183-A221 HydrophobicContact CE1-CB 3.61Å; F183-A221 HydrophobicContact CZ-CB 4.49Å
184K97.5Very high96.1Very high101 Ų10164.5 Ų64.544%0.43934%0.339SS..Hα-helixtrans-56.8-48.6177.1-175.8173.8179.3177.10111.4G180 I182 L186 I187 E188 N219G180-K184 PolarHBondContact O-N 2.75Å; I182-K184 PolarHBondContact O-N 2.97Å; K184-L186 PolarHBondContact O-N 2.94Å; K184-I187 PolarHBondContact O-N 2.88Å; K184-E188 WeakPolarHBondContact CE-OE1 3.41Å; K184-E188 HydrophobicContact CG-CG 4.35Å; K184-E188 IonicContact NZ-OE1 3.84Å; K184-E188 WeakPolarHBondContact O-CB 3.49Å; K184-E188 VanDerWaalsContact O-CG 3.28Å; K184-E188 WeakPolarHBondContact O-CG 3.21Å; K184-E188 PolarHBondContact O-N 2.68Å; K184-N219 HydrophobicContact CB-CB 4.14Å
185S97.1Very high96Very high50 Ų5072.5 Ų72.535%0.3538%0.376SS..Hα-helixtrans-61.6-43.9179.9-171.30000112A181 I182 F183 N189A181-S185 VanDerWaalsContact O-CB 3.23Å; A181-S185 WeakPolarHBondContact O-CB 3.43Å; A181-S185 PolarHBondContact O-N 2.88Å; I182-S185 PolarHBondContact O-N 3.08Å; F183-S185 VanDerWaalsContact C-N 3.33Å; F183-S185 PolarHBondContact O-N 2.69Å; S185-N189 WeakPolarHBondContact O-CB 3.17Å; S185-N189 PolarHBondContact O-N 2.89Å; S185-N189 PolarHBondContact O-ND2 2.81Å
186L97.3Very high96Very high4 Ų470.8 Ų70.82%0.02137%0.366CS..Hα-helixtrans-64.4-51.2178-70.1173.5000110.5L150 L151 V154 V167 I182 F183 K184 E188 N189 I190 F198L150-L186 HydrophobicContact CD2-CD1 4.41Å; L150-L186 HydrophobicContact CG-CD2 4.33Å; L151-L186 HydrophobicContact CD1-CD2 4.14Å; V154-L186 HydrophobicContact CB-CD2 4.26Å; V154-L186 HydrophobicContact CG1-CD2 4.4Å; V154-L186 HydrophobicContact CG2-CD1 4.42Å; V154-L186 HydrophobicContact CG2-CD2 4.14Å; V167-L186 HydrophobicContact CG1-CD1 4.44Å; V167-L186 HydrophobicContact CG2-CD1 3.67Å; I182-L186 HydrophobicContact CG2-CD1 3.98Å; I182-L186 HydrophobicContact CG2-CG 4.42Å; I182-L186 WeakPolarHBondContact O-CG 3.49Å; I182-L186 PolarHBondContact O-N 3.01Å; F183-L186 PolarHBondContact O-N 2.81Å; K184-L186 PolarHBondContact O-N 2.94Å; L186-E188 VanDerWaalsContact C-N 3.28Å; L186-E188 PolarHBondContact O-N 3.44Å; L186-N189 PolarHBondContact O-N 3.27Å; L186-N189 VanDerWaalsContact O-N 3.14Å; L186-I190 VanDerWaalsContact O-CG1 3.32Å; L186-I190 WeakPolarHBondContact O-CG1 3.2Å; L186-I190 VanDerWaalsContact O-CG2 3.26Å; L186-I190 WeakPolarHBondContact O-CG2 3.11Å; L186-I190 PolarHBondContact O-N 3.38Å; L186-F198 HydrophobicContact CB-CE1 3.81Å; L186-F198 HydrophobicContact CB-CZ 4.31Å; L186-F198 HydrophobicContact CD1-CE1 4.4Å
187I96Very high96Very high61 Ų6169.7 Ų69.731%0.31336%0.359SS..Hα-helixtrans-60-38-178.1-69.1167.5000112F183 K184 F198 N219F183-I187 WeakPolarHBondContact O-CB 3.4Å; F183-I187 VanDerWaalsContact O-CG1 3.28Å; F183-I187 WeakPolarHBondContact O-CG1 3.29Å; F183-I187 PolarHBondContact O-N 3.13Å; K184-I187 PolarHBondContact O-N 2.88Å; I187-F198 HydrophobicContact CD1-CB 4.41Å; I187-F198 HydrophobicContact CD1-CD2 4.08Å; I187-F198 HydrophobicContact CD1-CG 4.21Å; I187-F198 HydrophobicContact CG1-CD1 4.31Å; I187-F198 HydrophobicContact CG1-CD2 3.54Å; I187-F198 HydrophobicContact CG1-CE1 4.33Å; I187-F198 HydrophobicContact CG1-CE2 3.56Å; I187-F198 HydrophobicContact CG1-CG 3.91Å; I187-F198 HydrophobicContact CG1-CZ 3.96Å; I187-N219 WeakPolarHBondContact CD1-O 3.03Å
188E96.4Very high96Very high130 Ų13064.6 Ų64.661%0.60733%0.327SS*.Hα-helixtrans-74.9-25.4179.6-73.3176.616800113.8K184 L186K184-E188 WeakPolarHBondContact CE-OE1 3.41Å; K184-E188 HydrophobicContact CG-CG 4.35Å; K184-E188 IonicContact NZ-OE1 3.84Å; K184-E188 WeakPolarHBondContact O-CB 3.49Å; K184-E188 VanDerWaalsContact O-CG 3.28Å; K184-E188 WeakPolarHBondContact O-CG 3.21Å; K184-E188 PolarHBondContact O-N 2.68Å; L186-E188 VanDerWaalsContact C-N 3.28Å; L186-E188 PolarHBondContact O-N 3.44Å
189N96.5Very high96.1Very high85 Ų8559.4 Ų59.446%0.45530%0.303SS..Hα-helixtrans-112.5-17.4-170.3-67.2-84.4000114.7L151 S185 L186L151-N189 HydrophobicContact CD1-CB 3.88Å; L151-N189 HydrophobicContact CD2-CB 3.8Å; S185-N189 WeakPolarHBondContact O-CB 3.17Å; S185-N189 PolarHBondContact O-N 2.89Å; S185-N189 PolarHBondContact O-ND2 2.81Å; L186-N189 PolarHBondContact O-N 3.27Å; L186-N189 VanDerWaalsContact O-N 3.14Å
190I95.1Very high96.1Very high30 Ų3059.4 Ų59.415%0.15430%0.303CS..  trans-68.2146174.662141.3000111.2L151 V154 I158 L186 I196 F198L151-I190 HydrophobicContact CD1-CG2 3.96Å; V154-I190 HydrophobicContact CG1-CG2 3.89Å; I158-I190 HydrophobicContact CD1-CB 4.03Å; I158-I190 HydrophobicContact CD1-CD1 3.7Å; I158-I190 HydrophobicContact CD1-CG1 4.48Å; I158-I190 HydrophobicContact CD1-CG2 3.94Å; L186-I190 VanDerWaalsContact O-CG1 3.32Å; L186-I190 WeakPolarHBondContact O-CG1 3.2Å; L186-I190 VanDerWaalsContact O-CG2 3.26Å; L186-I190 WeakPolarHBondContact O-CG2 3.11Å; L186-I190 PolarHBondContact O-N 3.38Å; I190-I196 HydrophobicContact CD1-CB 4.14Å; I190-I196 HydrophobicContact CD1-CG1 4.1Å; I190-F198 HydrophobicContact CD1-CE2 3.69Å; I190-F198 HydrophobicContact CD1-CZ 3.53Å; I190-F198 HydrophobicContact CG1-CE2 4.32Å; I190-F198 HydrophobicContact CG1-CZ 3.91Å; I190-F198 HydrophobicContact CG2-CZ 4.35Å
191Q94.3Very high96.2Very high153 Ų15359.9 Ų59.972%0.71531%0.305SS*.  trans-114.1122.5173.9-62.2-175.6-1.300108.9Q155Q155-Q191 PolarHBondContact NE2-O 2.83Å
192S93.9Very high96.2Very high53 Ų5357.6 Ų57.637%0.37129%0.286SS..  trans-147.8144.5175.5-162.30000111I158 Q194I158-S192 WeakPolarHBondContact CG2-OG 3.41Å; S192-Q194 VanDerWaalsContact C-N 3.3Å; S192-Q194 WeakPolarHBondContact CB-O 3.34Å; S192-Q194 PolarHBondContact OG-N 3.06Å; S192-Q194 PolarHBondContact OG-O 2.68Å
193E90.4Very high96.2Very high211 Ų21156.9 Ų56.999%0.98628%0.283SS*.SBendtrans-80.4-15.5172.2-63.1-172.1166.400112.3
194Q91.9Very high96.2Very high86 Ų8659.3 Ų59.340%0.40230%0.295SS..SBendtrans-117.3158.4178.366-177.61.500110.9S192 I196S192-Q194 VanDerWaalsContact C-N 3.3Å; S192-Q194 WeakPolarHBondContact CB-O 3.34Å; S192-Q194 PolarHBondContact OG-N 3.06Å; S192-Q194 PolarHBondContact OG-O 2.68Å; Q194-I196 HydrophobicContact CG-CD1 3.95Å; Q194-I196 PolarHBondContact O-N 3.15Å
195E92.9Very high96.1Very high171 Ų17157.5 Ų57.580%0.79929%0.291SS*.  trans-68.9128.9174.4-170.8176.9173.400110.2
196I96.8Very high96.1Very high13 Ų1359.9 Ų59.97%0.06730%0.299CS..  trans-105.6127.2178.5-57.6-58.9000109.3I158 I165 I190 Q194 F198I158-I196 HydrophobicContact CD1-CG1 4.16Å; I158-I196 HydrophobicContact CD1-CG2 4.31Å; I158-I196 HydrophobicContact CG1-CD1 4.28Å; I158-I196 HydrophobicContact CG1-CG1 4.3Å; I158-I196 HydrophobicContact CG1-CG2 4.47Å; I158-I196 HydrophobicContact CG2-CD1 4Å; I158-I196 HydrophobicContact CG2-CG1 4.26Å; I165-I196 HydrophobicContact CB-CG2 4.39Å; I165-I196 HydrophobicContact CG1-CG2 3.73Å; I190-I196 HydrophobicContact CD1-CB 4.14Å; I190-I196 HydrophobicContact CD1-CG1 4.1Å; Q194-I196 HydrophobicContact CG-CD1 3.95Å; Q194-I196 PolarHBondContact O-N 3.15Å; I196-F198 HydrophobicContact CB-CE2 4.18Å; I196-F198 HydrophobicContact CG2-CD2 4.33Å; I196-F198 HydrophobicContact CG2-CE2 3.97Å; I196-F198 HydrophobicContact CG2-CZ 4.29Å
197S97Very high96.1Very high17 Ų1762.4 Ų62.412%0.11933%0.326CS..EExtended strand (participates in β ladder)trans-82128.4172.8177.30000110.1T163 I164 I165 N222T163-S197 PolarHBondContact O-N 3.11Å; T163-S197 VanDerWaalsContact O-N 3.14Å; I164-S197 CarbonylContact C-O 3.52Å; I164-S197 VanDerWaalsContact CA-O 3.31Å; I164-S197 WeakPolarHBondContact CA-O 3.44Å; I164-S197 WeakPolarHBondContact CG2-O 3.02Å; I165-S197 PolarHBondContact N-O 3.02Å; S197-N222 VanDerWaalsContact CA-OD1 3.25Å; S197-N222 WeakPolarHBondContact CA-OD1 3.45Å; S197-N222 WeakPolarHBondContact CB-OD1 3.39Å; S197-N222 PolarHBondContact OG-OD1 3.3Å
198F98.1Very high96.1Very high10 Ų1062.1 Ų62.14%0.04432%0.324CS..EExtended strand (participates in β ladder)trans-104.3124.6176.3-77.4-89.3000109.7I165 F183 L186 I187 I190 I196 A221 N222 R223I165-F198 HydrophobicContact CB-CD1 4.12Å; I165-F198 HydrophobicContact CB-CE1 4.1Å; I165-F198 HydrophobicContact CG2-CD1 4.29Å; I165-F198 HydrophobicContact CG2-CE1 4.16Å; I165-F198 WeakPolarHBondContact O-CA 3.23Å; F183-F198 HydrophobicContact CD1-CB 4.08Å; F183-F198 HydrophobicContact CE1-CB 4.04Å; L186-F198 HydrophobicContact CB-CE1 3.81Å; L186-F198 HydrophobicContact CB-CZ 4.31Å; L186-F198 HydrophobicContact CD1-CE1 4.4Å; I187-F198 HydrophobicContact CD1-CB 4.41Å; I187-F198 HydrophobicContact CD1-CD2 4.08Å; I187-F198 HydrophobicContact CD1-CG 4.21Å; I187-F198 HydrophobicContact CG1-CD1 4.31Å; I187-F198 HydrophobicContact CG1-CD2 3.54Å; I187-F198 HydrophobicContact CG1-CE1 4.33Å; I187-F198 HydrophobicContact CG1-CE2 3.56Å; I187-F198 HydrophobicContact CG1-CG 3.91Å; I187-F198 HydrophobicContact CG1-CZ 3.96Å; I190-F198 HydrophobicContact CD1-CE2 3.69Å; I190-F198 HydrophobicContact CD1-CZ 3.53Å; I190-F198 HydrophobicContact CG1-CE2 4.32Å; I190-F198 HydrophobicContact CG1-CZ 3.91Å; I190-F198 HydrophobicContact CG2-CZ 4.35Å; I196-F198 HydrophobicContact CB-CE2 4.18Å; I196-F198 HydrophobicContact CG2-CD2 4.33Å; I196-F198 HydrophobicContact CG2-CE2 3.97Å; I196-F198 HydrophobicContact CG2-CZ 4.29Å; F198-A221 WeakPolarHBondContact O-CA 3.38Å; F198-N222 PolarHBondContact N-OD1 3.47Å; F198-N222 PolarHBondContact O-N 3.05Å; F198-N222 PolarHBondContact O-OD1 2.8Å; F198-R223 PolarHBondContact O-N 3.01Å; F198-R223 VanDerWaalsContact O-N 3.1Å
199S98.5Very high96.2Very high0 Ų056 Ų560%030%0.295CS..EExtended strand (participates in β ladder)trans-113.3134-175.3-162.40000110.8I165 N166 V167 F183 R223 E225I165-S199 PolarHBondContact O-N 3.48Å; N166-S199 WeakPolarHBondContact CA-O 3.29Å; N166-S199 PolarHBondContact OD1-O 2.85Å; V167-S199 PolarHBondContact N-O 3.33Å; F183-S199 WeakPolarHBondContact CZ-O 3.46Å; S199-R223 WeakPolarHBondContact CA-O 3.49Å; S199-R223 WeakPolarHBondContact OG-CD 3.34Å; S199-R223 VanDerWaalsContact OG-CG 3.24Å; S199-R223 WeakPolarHBondContact OG-CG 3.47Å; S199-E225 WeakPolarHBondContact OG-CG 3.4Å; S199-E225 PolarHBondContact OG-OE1 2.81Å
200S98.3Very high96.3Very high0 Ų053.1 Ų53.10%028%0.281CS..EExtended strand (participates in β ladder)trans-97.4135.3171.563.40000111.4R223 E225S200-R223 PolarHBondContact N-O 3.19Å; S200-R223 VanDerWaalsContact N-O 3.12Å; S200-E225 WeakPolarHBondContact O-CA 3.21Å; S200-E225 WeakPolarHBondContact O-CB 3.41Å; S200-E225 PolarHBondContact O-N 3Å
201H98.4Very high96.4Very high9 Ų953.7 Ų53.74%0.04229%0.29CS..EExtended strand (participates in β ladder)trans-135.597.3175.8-177.7109.9000109D13 N166 P168 D169 Y179 H203 E225D13-H201 IonicContact OD2-CE1 3.36Å; D13-H201 IonicContact OD2-NE2 3.52Å; D13-H201 PolarHBondContact OD2-NE2 3.3Å; N166-H201 WeakPolarHBondContact OD1-CB 3.24Å; P168-H201 CarbonylContact C-O 3.56Å; P168-H201 WeakPolarHBondContact CA-O 3.32Å; P168-H201 HydrophobicContact CB-CB 4.21Å; D169-H201 PolarHBondContact N-O 2.91Å; Y179-H201 PolarHBondContact OH-N 2.99Å; H201-H203 AromaticContact CD2-NE2 3.99Å; H201-H203 AromaticContact NE2-NE2 3.55Å; H201-E225 HydrophobicContact CB-CB 3.99Å; H201-E225 HydrophobicContact CB-CG 4.21Å; H201-E225 IonicContact CE1-OE2 3.53Å; H201-E225 IonicContact CG-OE2 3.15Å; H201-E225 IonicContact ND1-OE2 2.67Å; H201-E225 PolarHBondContact ND1-OE2 2.94Å
202C98.2Very high96.6Very high1 Ų146.4 Ų46.41%0.00726%0.256CS..EExtended strand (participates in β ladder)trans-108.7133.7-175.4-47.30000110.9D169 Y179 A209 N212 N237 T238D169-C202 HydrophobicContact CB-CB 4.43Å; Y179-C202 WeakPolarHBondContact CE1-SG 3.25Å; Y179-C202 PolarHBondContact OH-SG 3.24Å; C202-A209 HydrophobicContact CB-CB 3.94Å; C202-N212 HydrophobicContact CB-CB 4.29Å; C202-N212 VanDerWaalsContact SG-CB 3.59Å; C202-N237 CarbonylContact O-C 3.55Å; C202-T238 WeakPolarHBondContact CB-OG1 3.1Å; C202-T238 PolarHBondContact O-N 2.81Å; C202-T238 PolarHBondContact O-OG1 2.85Å; C202-T238 VanDerWaalsContact O-OG1 3.04Å
203H97.9Very high96.8Very high10 Ų1043.9 Ų43.95%0.04624%0.239CC..BIsolated β-bridgetrans-87.1163.1162-71.1-97.1000111D13 D169 T170 G172 H201 G236 N237D13-H203 IonicContact OD1-CE1 3.3Å; D169-H203 PolarHBondContact O-N 3.44Å; D169-H203 VanDerWaalsContact O-N 3.17Å; T170-H203 PolarHBondContact O-CD2 3.34Å; T170-H203 VanDerWaalsContact O-CG 3.32Å; G172-H203 WeakPolarHBondContact CA-O 3.32Å; H201-H203 AromaticContact CD2-NE2 3.99Å; H201-H203 AromaticContact NE2-NE2 3.55Å; H203-G236 VanDerWaalsContact CA-O 3.31Å; H203-G236 WeakPolarHBondContact CA-O 3.33Å; H203-N237 PolarHBondContact CE1-OD1 2.94Å
204D97.4Very high97.2Very high50 Ų5034.8 Ų34.827%0.26720%0.197SC..  trans-110.323.9-166.8-153.538.7000115.4L206 G207 M208 A209 A235 G236D204-L206 PolarHBondContact O-N 3.47Å; D204-G207 PolarHBondContact O-N 3.13Å; D204-G207 WeakPolarHBondContact OD1-CA 3.32Å; D204-M208 PolarHBondContact OD1-N 3.47Å; D204-A209 HydrophobicContact CB-CB 3.73Å; D204-A209 WeakPolarHBondContact OD1-CB 3.44Å; D204-A209 PolarHBondContact OD1-N 3.47Å; D204-A235 VanDerWaalsContact C-CB 3.47Å; D204-A235 HydrophobicContact CB-CB 4.23Å; D204-A235 WeakPolarHBondContact O-CB 3.37Å; D204-G236 PolarHBondContact N-O 2.64Å
205D96.4Very high97.5Very high64 Ų6431 Ų3134%0.34218%0.18SC..THydrogen-bonded Turntrans-55.6-27.9-175.9-63.2-107.6000114.1V171 R234V171-D205 WeakPolarHBondContact O-CB 3.31Å; D205-R234 WeakPolarHBondContact OD1-CD 3.43Å; D205-R234 IonicContact OD1-CZ 3.93Å; D205-R234 IonicContact OD1-NE 3.96Å; D205-R234 PolarHBondContact OD1-NE 3.09Å; D205-R234 IonicContact OD1-NH2 2.78Å; D205-R234 IonicContact OD2-CZ 2.68Å; D205-R234 IonicContact OD2-NE 2.64Å; D205-R234 PolarHBondContact OD2-NE 3.22Å; D205-R234 IonicContact OD2-NH2 2.79Å; D205-R234 PolarHBondContact OD2-NH2 2.89Å
206L96.8Very high97.8Very high99 Ų9922.9 Ų22.952%0.51814%0.142SC..THydrogen-bonded Turntrans-107.28.3174.1-61.3-178000114.4G172 Y173 D204 M208G172-L206 WeakPolarHBondContact O-CB 3.33Å; G172-L206 VanDerWaalsContact O-CG 3.27Å; G172-L206 WeakPolarHBondContact O-CG 3.2Å; G172-L206 PolarHBondContact O-N 3.19Å; Y173-L206 WeakPolarHBondContact O-CD1 3.02Å; D204-L206 PolarHBondContact O-N 3.47Å; L206-M208 HydrophobicContact CB-CE 3.71Å; L206-M208 HydrophobicContact CD1-CE 3.82Å; L206-M208 HydrophobicContact CG-CE 4.45Å
207G96.2Very high97.8Very high57 Ų5722.3 Ų22.359%0.58814%0.139SC*.SBendtrans69.429.3-179.600000114.3D204D204-G207 PolarHBondContact O-N 3.13Å; D204-G207 WeakPolarHBondContact OD1-CA 3.32Å
208M97.3Very high97.8Very high55 Ų5526.1 Ų26.127%0.27116%0.155SC..  trans-122.96.7-174.8-66.8-169.3-72.100113.7S174 N175 D204 L206 T210 A211 N212S174-M208 VanDerWaalsContact O-CE 3.28Å; S174-M208 WeakPolarHBondContact O-CE 3.35Å; N175-M208 HydrophobicContact CB-CE 4.2Å; N175-M208 HydrophobicContact CB-SD 4.26Å; D204-M208 PolarHBondContact OD1-N 3.47Å; L206-M208 HydrophobicContact CB-CE 3.71Å; L206-M208 HydrophobicContact CD1-CE 3.82Å; L206-M208 HydrophobicContact CG-CE 4.45Å; M208-T210 PolarHBondContact O-N 3.37Å; M208-A211 PolarHBondContact O-N 3.21Å; M208-A211 VanDerWaalsContact O-N 3.12Å; M208-N212 WeakPolarHBondContact O-CB 3.47Å; M208-N212 PolarHBondContact O-N 3.35Å
209A98.2Very high97.7Very high1 Ų128.2 Ų28.21%0.00817%0.167CC..Hα-helixtrans-56.9-50.7-172.900000112.6C202 D204 A211 N212 A213C202-A209 HydrophobicContact CB-CB 3.94Å; D204-A209 HydrophobicContact CB-CB 3.73Å; D204-A209 WeakPolarHBondContact OD1-CB 3.44Å; D204-A209 PolarHBondContact OD1-N 3.47Å; A209-A211 VanDerWaalsContact C-N 3.33Å; A209-A211 PolarHBondContact O-N 2.96Å; A209-N212 PolarHBondContact O-N 3.4Å; A209-A213 WeakPolarHBondContact O-CB 3.38Å; A209-A213 PolarHBondContact O-N 3.18Å
210T98.2Very high97.6Very high25 Ų2529.4 Ų29.415%0.15318%0.18CC..Hα-helixtrans-59.5-42.4176.7-590000111.8M208 A213 L214 E242 V243M208-T210 PolarHBondContact O-N 3.37Å; T210-A213 PolarHBondContact O-N 3.03Å; T210-L214 HydrophobicContact CG2-CD1 4.26Å; T210-L214 WeakPolarHBondContact O-CG 3.23Å; T210-L214 PolarHBondContact O-N 3.42Å; T210-E242 HydrophobicContact CG2-CB 3.79Å; T210-E242 PolarHBondContact OG1-OE2 3.3Å; T210-V243 HydrophobicContact CG2-CG2 4.05Å
211A98.2Very high97.5Very high43 Ų4329.4 Ų29.436%0.35518%0.18SC..Hα-helixtrans-67.8-39.2179.100000112.2P176 M208 A209 L214 A215P176-A211 HydrophobicContact CG-CB 3.66Å; M208-A211 PolarHBondContact O-N 3.21Å; M208-A211 VanDerWaalsContact O-N 3.12Å; A209-A211 VanDerWaalsContact C-N 3.33Å; A209-A211 PolarHBondContact O-N 2.96Å; A211-L214 PolarHBondContact O-N 2.93Å; A211-A215 WeakPolarHBondContact O-CB 3.36Å; A211-A215 PolarHBondContact O-N 3.41Å
212N98.3Very high97.4Very high0 Ų030.4 Ų30.40%019%0.185CC..Hα-helixtrans-64.7-45.4175.2-72.8-6.7000110.8D169 S174 P176 Y179 C202 M208 A209 L214 A215 A216D169-N212 PolarHBondContact OD2-ND2 3.02Å; S174-N212 PolarHBondContact O-ND2 3.36Å; P176-N212 WeakPolarHBondContact CA-OD1 3.33Å; P176-N212 WeakPolarHBondContact CD-OD1 3.43Å; P176-N212 WeakPolarHBondContact CG-OD1 2.83Å; Y179-N212 HydrophobicContact CD1-CB 3.69Å; Y179-N212 VanDerWaalsContact CD1-O 3.25Å; Y179-N212 WeakPolarHBondContact CD1-O 3.43Å; Y179-N212 HydrophobicContact CE1-CB 4.15Å; Y179-N212 HydrophobicContact CG-CB 4.13Å; C202-N212 HydrophobicContact CB-CB 4.29Å; C202-N212 VanDerWaalsContact SG-CB 3.59Å; M208-N212 WeakPolarHBondContact O-CB 3.47Å; M208-N212 PolarHBondContact O-N 3.35Å; A209-N212 PolarHBondContact O-N 3.4Å; N212-L214 PolarHBondContact O-N 2.88Å; N212-A215 PolarHBondContact O-N 3.14Å; N212-A216 PolarHBondContact O-N 2.91Å
213A98.3Very high97.4Very high0 Ų030.7 Ų30.70%019%0.186CC..Hα-helixtrans-59.5-43.9176.100000112.4A209 T210 A216 I217 V224 T238 V243A209-A213 WeakPolarHBondContact O-CB 3.38Å; A209-A213 PolarHBondContact O-N 3.18Å; T210-A213 PolarHBondContact O-N 3.03Å; A213-A216 WeakPolarHBondContact O-CB 3.48Å; A213-A216 PolarHBondContact O-N 3.4Å; A213-I217 WeakPolarHBondContact O-CG1 3.27Å; A213-I217 PolarHBondContact O-N 2.78Å; A213-V224 HydrophobicContact CB-CG2 3.88Å; A213-T238 HydrophobicContact CB-CG2 3.83Å; A213-V243 HydrophobicContact CB-CG2 4.22Å
214L98.2Very high97.5Very high20 Ų2030.2 Ų30.211%0.10518%0.184CC..Hα-helixtrans-63.9-40.9175.1-70.2170.8000112.1T210 A211 N212 A216 I217 E218 V243 A246 L247 Y254T210-L214 HydrophobicContact CG2-CD1 4.26Å; T210-L214 WeakPolarHBondContact O-CG 3.23Å; T210-L214 PolarHBondContact O-N 3.42Å; A211-L214 PolarHBondContact O-N 2.93Å; N212-L214 PolarHBondContact O-N 2.88Å; L214-A216 VanDerWaalsContact C-N 3.34Å; L214-A216 PolarHBondContact O-N 3.04Å; L214-I217 WeakPolarHBondContact O-CB 3.42Å; L214-I217 PolarHBondContact O-N 3.5Å; L214-E218 WeakPolarHBondContact O-CG 3.45Å; L214-E218 PolarHBondContact O-N 2.82Å; L214-V243 HydrophobicContact CD2-CG1 4.11Å; L214-A246 HydrophobicContact CD1-CB 3.94Å; L214-A246 HydrophobicContact CD2-CB 4.06Å; L214-L247 HydrophobicContact CD2-CD2 3.76Å; L214-L247 HydrophobicContact CD2-CG 4.39Å; L214-Y254 HydrophobicContact CB-CE1 4.27Å; L214-Y254 HydrophobicContact CD2-CE1 4.1Å; L214-Y254 HydrophobicContact CD2-CE2 4.26Å
215A98.1Very high97.5Very high7 Ų727.9 Ų27.96%0.05817%0.171CC..Hα-helixtrans-65.9-34.417600000112.9P176 A211 N212 E218 N219P176-A215 HydrophobicContact CB-CB 3.85Å; P176-A215 WeakPolarHBondContact O-CB 3.47Å; A211-A215 WeakPolarHBondContact O-CB 3.36Å; A211-A215 PolarHBondContact O-N 3.41Å; N212-A215 PolarHBondContact O-N 3.14Å; A215-E218 PolarHBondContact O-N 3.24Å; A215-N219 WeakPolarHBondContact O-CB 3.45Å; A215-N219 PolarHBondContact O-N 3.43Å; A215-N219 VanDerWaalsContact O-N 3.08Å; A215-N219 PolarHBondContact O-ND2 3.13Å
216A98.2Very high97.6Very high0 Ų024.8 Ų24.80%016%0.155CC..Hα-helixtrans-63-44.3171.400000111.2Y179 F183 N212 A213 L214 N219 G220 A221Y179-A216 HydrophobicContact CD1-CB 4.09Å; Y179-A216 HydrophobicContact CE1-CB 3.77Å; F183-A216 HydrophobicContact CD1-CB 4.14Å; F183-A216 HydrophobicContact CD2-CB 3.49Å; F183-A216 VanDerWaalsContact CD2-CB 3.49Å; F183-A216 HydrophobicContact CE1-CB 4.1Å; F183-A216 HydrophobicContact CE2-CB 3.47Å; F183-A216 VanDerWaalsContact CE2-CB 3.47Å; F183-A216 HydrophobicContact CG-CB 3.85Å; F183-A216 HydrophobicContact CZ-CB 3.78Å; N212-A216 PolarHBondContact O-N 2.91Å; A213-A216 WeakPolarHBondContact O-CB 3.48Å; A213-A216 PolarHBondContact O-N 3.4Å; L214-A216 VanDerWaalsContact C-N 3.34Å; L214-A216 PolarHBondContact O-N 3.04Å; A216-N219 CarbonylContact O-C 3.59Å; A216-N219 PolarHBondContact O-N 3.44Å; A216-N219 VanDerWaalsContact O-N 3.15Å; A216-G220 PolarHBondContact O-N 3.37Å; A216-G220 VanDerWaalsContact O-N 3.14Å; A216-A221 VanDerWaalsContact C-CB 3.44Å; A216-A221 HydrophobicContact CB-CB 3.96Å; A216-A221 VanDerWaalsContact O-CB 3.22Å; A216-A221 WeakPolarHBondContact O-CB 3.47Å; A216-A221 PolarHBondContact O-N 3.26Å
217I97.7Very high97.7Very high0 Ų020.1 Ų20.10%013%0.13CC..Hα-helixtrans-58.8-49.6174.5-68.1167.5000110R2 I4 A213 L214 N219 G220 V224 V243 L247 Y254R2-I217 VanDerWaalsContact CZ-O 3.25Å; R2-I217 PolarHBondContact NH1-O 3.28Å; R2-I217 PolarHBondContact NH2-O 2.89Å; I4-I217 HydrophobicContact CD1-CG2 3.85Å; I4-I217 HydrophobicContact CG1-CG2 4.29Å; I4-I217 HydrophobicContact CG2-CD1 4.07Å; I4-I217 HydrophobicContact CG2-CG1 4.49Å; A213-I217 WeakPolarHBondContact O-CG1 3.27Å; A213-I217 PolarHBondContact O-N 2.78Å; L214-I217 WeakPolarHBondContact O-CB 3.42Å; L214-I217 PolarHBondContact O-N 3.5Å; I217-N219 PolarHBondContact O-N 3.4Å; I217-N219 VanDerWaalsContact O-N 3.15Å; I217-G220 PolarHBondContact O-N 3.05Å; I217-V224 HydrophobicContact CD1-CB 4.46Å; I217-V243 HydrophobicContact CD1-CG1 4.06Å; I217-L247 HydrophobicContact CD1-CD1 4.13Å; I217-L247 HydrophobicContact CD1-CD2 4.22Å; I217-L247 HydrophobicContact CG2-CD2 4.41Å; I217-Y254 HydrophobicContact CG2-CD1 4.46Å
218E96.5Very high97.8Very high98 Ų9817.5 Ų17.546%0.45810%0.103SC..Hα-helixtrans-53.9-34.8176.7-71.6170.3-160.500112.8L214 A215 F253 Y254L214-E218 WeakPolarHBondContact O-CG 3.45Å; L214-E218 PolarHBondContact O-N 2.82Å; A215-E218 PolarHBondContact O-N 3.24Å; E218-F253 HydrophobicContact CG-CE1 4.37Å; E218-Y254 HydrophobicContact CG-CD1 3.99Å; E218-Y254 HydrophobicContact CG-CE1 3.56Å; E218-Y254 WeakPolarHBondContact OE1-CE1 3.48Å; E218-Y254 PolarHBondContact OE1-OH 3.1Å; E218-Y254 VanDerWaalsContact OE1-OH 3.12Å
219N97.3Very high97.8Very high53 Ų5315.9 Ų15.928%0.28310%0.095SC..THydrogen-bonded Turntrans-96.113.3-178-73.6-83.9000114.3G180 F183 K184 I187 A215 A216 I217G180-N219 WeakPolarHBondContact CA-ND2 3.35Å; G180-N219 WeakPolarHBondContact O-CB 3.42Å; G180-N219 VanDerWaalsContact O-CG 3.28Å; F183-N219 HydrophobicContact CB-CB 4.14Å; K184-N219 HydrophobicContact CB-CB 4.14Å; I187-N219 WeakPolarHBondContact CD1-O 3.03Å; A215-N219 WeakPolarHBondContact O-CB 3.45Å; A215-N219 PolarHBondContact O-N 3.43Å; A215-N219 VanDerWaalsContact O-N 3.08Å; A215-N219 PolarHBondContact O-ND2 3.13Å; A216-N219 CarbonylContact O-C 3.59Å; A216-N219 PolarHBondContact O-N 3.44Å; A216-N219 VanDerWaalsContact O-N 3.15Å; I217-N219 PolarHBondContact O-N 3.4Å; I217-N219 VanDerWaalsContact O-N 3.15Å
220G95.5Very high97.7Very high26 Ų2616.5 Ų16.527%0.26810%0.102SC..THydrogen-bonded Turntrans118.3-7.8166.900000115.9R2 A216 I217 N222R2-G220 PolarHBondContact NH1-O 3.3Å; R2-G220 VanDerWaalsContact NH1-O 3.12Å; A216-G220 PolarHBondContact O-N 3.37Å; A216-G220 VanDerWaalsContact O-N 3.14Å; I217-G220 PolarHBondContact O-N 3.05Å; G220-N222 PolarHBondContact O-N 2.89Å
221A97.3Very high97.6Very high0 Ų015.8 Ų15.80%010%0.097CC..  trans-58.3135.3175.100000111.4R2 F183 F198 A216R2-A221 PolarHBondContact NH1-O 2.67Å; F183-A221 HydrophobicContact CD1-CB 3.64Å; F183-A221 HydrophobicContact CE1-CB 3.61Å; F183-A221 HydrophobicContact CZ-CB 4.49Å; F198-A221 WeakPolarHBondContact O-CA 3.38Å; A216-A221 VanDerWaalsContact C-CB 3.44Å; A216-A221 HydrophobicContact CB-CB 3.96Å; A216-A221 VanDerWaalsContact O-CB 3.22Å; A216-A221 WeakPolarHBondContact O-CB 3.47Å; A216-A221 PolarHBondContact O-N 3.26Å
222N96.3Very high97.5Very high29 Ų2913.9 Ų13.916%0.1558%0.081CC..  trans-115.23.7179.759.612.8000112.5I4 Q5 S197 F198 G220I4-N222 WeakPolarHBondContact CA-O 3.4Å; Q5-N222 PolarHBondContact N-O 3.43Å; S197-N222 VanDerWaalsContact CA-OD1 3.25Å; S197-N222 WeakPolarHBondContact CA-OD1 3.45Å; S197-N222 WeakPolarHBondContact CB-OD1 3.39Å; S197-N222 PolarHBondContact OG-OD1 3.3Å; F198-N222 PolarHBondContact N-OD1 3.47Å; F198-N222 PolarHBondContact O-N 3.05Å; F198-N222 PolarHBondContact O-OD1 2.8Å; G220-N222 PolarHBondContact O-N 2.89Å
223R98.2Very high97.2Very high7 Ų717.5 Ų17.53%0.02610%0.098CC..EExtended strand (participates in β ladder)trans-137.3145.8172.5-176.8-177-71.3-166.9-5.4110.1Q5 F7 Q94 F198 S199 S200Q5-R223 HydrophobicContact CB-CB 4.16Å; Q5-R223 HydrophobicContact CB-CG 4.06Å; Q5-R223 CarbonylContact O-C 3.47Å; Q5-R223 VanDerWaalsContact O-CA 3.28Å; Q5-R223 WeakPolarHBondContact O-CA 3.47Å; Q5-R223 VanDerWaalsContact OE1-NE 3.15Å; F7-R223 HydrophobicContact CB-CG 4.07Å; Q94-R223 VanDerWaalsContact NE2-NH1 3.16Å; Q94-R223 VanDerWaalsContact OE1-NH1 3.07Å; F198-R223 PolarHBondContact O-N 3.01Å; F198-R223 VanDerWaalsContact O-N 3.1Å; S199-R223 WeakPolarHBondContact CA-O 3.49Å; S199-R223 WeakPolarHBondContact OG-CD 3.34Å; S199-R223 VanDerWaalsContact OG-CG 3.24Å; S199-R223 WeakPolarHBondContact OG-CG 3.47Å; S200-R223 PolarHBondContact N-O 3.19Å; S200-R223 VanDerWaalsContact N-O 3.12Å
224V98.5Very high97Very high0 Ų023 Ų230%012%0.119CC..EExtended strand (participates in β ladder)trans-128.6131.2173.257.20000109.6I4 Q5 F6 F7 A213 I217 L240 V243I4-V224 HydrophobicContact CG2-CG1 4.12Å; Q5-V224 PolarHBondContact O-N 3.02Å; F6-V224 HydrophobicContact CD1-CG1 4.04Å; F6-V224 HydrophobicContact CD2-CG1 4.36Å; F6-V224 HydrophobicContact CE1-CG1 3.97Å; F6-V224 HydrophobicContact CE2-CG1 4.31Å; F6-V224 HydrophobicContact CG-CG1 4.22Å; F6-V224 HydrophobicContact CZ-CG1 4.09Å; F7-V224 WeakPolarHBondContact CB-O 3.3Å; F7-V224 PolarHBondContact N-O 3.1Å; A213-V224 HydrophobicContact CB-CG2 3.88Å; I217-V224 HydrophobicContact CD1-CB 4.46Å; V224-L240 HydrophobicContact CG1-CD2 4.45Å; V224-L240 HydrophobicContact CG2-CD2 4.33Å; V224-V243 HydrophobicContact CG1-CG1 4.18Å; V224-V243 HydrophobicContact CG2-CG1 4.34Å; V224-V243 HydrophobicContact CG2-CG2 4.41Å
225E98.6Very high96.8Very high1 Ų124.6 Ų24.61%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-104.7142.3174.3-41.4-165.3172.700111F7 T9 Q136 N166 S199 S200 H201F7-E225 HydrophobicContact CB-CB 4.37Å; F7-E225 HydrophobicContact CB-CG 3.96Å; F7-E225 HydrophobicContact CD1-CB 4.05Å; F7-E225 HydrophobicContact CD1-CG 3.9Å; F7-E225 HydrophobicContact CG-CB 4.46Å; F7-E225 HydrophobicContact CG-CG 3.95Å; F7-E225 VanDerWaalsContact O-CA 3.27Å; F7-E225 WeakPolarHBondContact O-CA 3.35Å; T9-E225 HydrophobicContact CG2-CB 4.46Å; Q136-E225 PolarHBondContact NE2-OE1 2.78Å; Q136-E225 PolarHBondContact OE1-OE1 3.08Å; N166-E225 PolarHBondContact ND2-OE2 3.21Å; S199-E225 WeakPolarHBondContact OG-CG 3.4Å; S199-E225 PolarHBondContact OG-OE1 2.81Å; S200-E225 WeakPolarHBondContact O-CA 3.21Å; S200-E225 WeakPolarHBondContact O-CB 3.41Å; S200-E225 PolarHBondContact O-N 3Å; H201-E225 HydrophobicContact CB-CB 3.99Å; H201-E225 HydrophobicContact CB-CG 4.21Å; H201-E225 IonicContact CE1-OE2 3.53Å; H201-E225 IonicContact CG-OE2 3.15Å; H201-E225 IonicContact ND1-OE2 2.67Å; H201-E225 PolarHBondContact ND1-OE2 2.94Å
226G98.4Very high96.7Very high0 Ų024.4 Ų24.40%013%0.133CC..EExtended strand (participates in β ladder)trans-179.8-174178.100000111.7F7 D8 T9 T238 L240F7-G226 PolarHBondContact O-N 2.89Å; D8-G226 WeakPolarHBondContact CA-O 3.47Å; T9-G226 PolarHBondContact N-O 2.93Å; T9-G226 PolarHBondContact OG1-O 3.29Å; T9-G226 VanDerWaalsContact OG1-O 3.05Å; G226-T238 CarbonylContact C-O 3.52Å; G226-T238 WeakPolarHBondContact CA-O 3.49Å; G226-L240 WeakPolarHBondContact O-CD1 3.31Å
227A98.4Very high96.7Very high0 Ų024.5 Ų24.50%013%0.134CC..BIsolated β-bridgetrans-126.3152.8178.400000110.8T10 N229 G230 I231 N237 T238 L240T10-A227 WeakPolarHBondContact OG1-CA 3.36Å; A227-N229 PolarHBondContact O-N 2.84Å; A227-G230 PolarHBondContact O-N 3.05Å; A227-G230 VanDerWaalsContact O-N 3.1Å; A227-I231 HydrophobicContact CB-CG1 3.95Å; A227-I231 WeakPolarHBondContact CB-O 3.49Å; A227-N237 HydrophobicContact CB-CB 4.15Å; A227-T238 PolarHBondContact N-O 3.14Å; A227-L240 PolarHBondContact O-N 2.94Å
228I98.2Very high96.7Very high3 Ų324.5 Ų24.52%0.01513%0.134CC..G310 helixtrans-62.1137.5172.2-56-56.9000109.5T10 L34 W37 G230 I231 T268 V272T10-I228 PolarHBondContact OG1-N 2.88Å; L34-I228 HydrophobicContact CD2-CD1 3.85Å; L34-I228 HydrophobicContact CD2-CG1 3.77Å; W37-I228 HydrophobicContact CE3-CD1 3.67Å; W37-I228 HydrophobicContact CH2-CD1 3.71Å; W37-I228 HydrophobicContact CZ3-CD1 3.14Å; I228-G230 PolarHBondContact O-N 2.94Å; I228-G230 VanDerWaalsContact O-N 3.12Å; I228-I231 PolarHBondContact O-N 3.18Å; I228-T268 HydrophobicContact CD1-CG2 3.84Å; I228-T268 HydrophobicContact CG1-CG2 3.93Å; I228-T268 HydrophobicContact CG2-CG2 4.26Å; I228-V272 HydrophobicContact CB-CB 4.21Å; I228-V272 HydrophobicContact CB-CG1 4.23Å; I228-V272 HydrophobicContact CB-CG2 3.88Å; I228-V272 HydrophobicContact CG1-CG2 4.16Å; I228-V272 HydrophobicContact CG2-CB 3.91Å; I228-V272 HydrophobicContact CG2-CG1 4.32Å; I228-V272 HydrophobicContact CG2-CG2 3.85Å
229N97Very high96.8Very high20 Ų2020 Ų2011%0.10711%0.114CC..G310 helixtrans65.43.8-175.9-56.7-28.1000114.2A227 I231 E241 S269 K284A227-N229 PolarHBondContact O-N 2.84Å; N229-I231 VanDerWaalsContact C-N 3.32Å; N229-I231 HydrophobicContact CB-CG2 4.3Å; N229-E241 WeakPolarHBondContact CA-OE1 3.45Å; N229-E241 PolarHBondContact N-OE1 3.26Å; N229-E241 PolarHBondContact N-OE2 3.43Å; N229-S269 PolarHBondContact ND2-O 2.85Å; N229-S269 VanDerWaalsContact OD1-CB 3.23Å; N229-S269 WeakPolarHBondContact OD1-CB 3.29Å; N229-S269 PolarHBondContact OD1-OG 3.29Å; N229-K284 WeakPolarHBondContact O-CE 3.42Å; N229-K284 PolarHBondContact O-NZ 3.39Å
230G96.9Very high96.9Very high14 Ų1417.5 Ų17.514%0.14410%0.1CC..G310 helixtrans69.324.8-17400000113.7A227 I228 G236 N237A227-G230 PolarHBondContact O-N 3.05Å; A227-G230 VanDerWaalsContact O-N 3.1Å; I228-G230 PolarHBondContact O-N 2.94Å; I228-G230 VanDerWaalsContact O-N 3.12Å; G230-G236 WeakPolarHBondContact O-CA 3.26Å; G230-N237 WeakPolarHBondContact CA-O 3.28Å; G230-N237 PolarHBondContact O-N 2.73Å
231I96.3Very high97Very high11 Ų1116.4 Ų16.46%0.0569%0.088CC..  trans-67.2155.8176.665.9166.9000111.6T10 A227 I228 N229 N237 V272T10-I231 HydrophobicContact CG2-CD1 3.86Å; T10-I231 HydrophobicContact CG2-CG1 4.41Å; A227-I231 HydrophobicContact CB-CG1 3.95Å; A227-I231 WeakPolarHBondContact CB-O 3.49Å; I228-I231 PolarHBondContact O-N 3.18Å; N229-I231 VanDerWaalsContact C-N 3.32Å; N229-I231 HydrophobicContact CB-CG2 4.3Å; I231-N237 PolarHBondContact O-N 3.07Å; I231-N237 PolarHBondContact O-ND2 2.99Å; I231-V272 HydrophobicContact CD1-CG1 3.99Å
232G94.6Very high97Very high2 Ų218.4 Ų18.42%0.02110%0.097CC..SBendtrans154.6-168.4178.400000113.7D13 T17 R234 N237D13-G232 WeakPolarHBondContact O-CA 3.22Å; T17-G232 WeakPolarHBondContact OG1-CA 3.34Å; T17-G232 PolarHBondContact OG1-N 3.28Å; T17-G232 PolarHBondContact OG1-O 2.9Å; G232-R234 PolarHBondContact O-N 3.13Å; G232-N237 WeakPolarHBondContact CA-ND2 3.35Å
233E91.9Very high97.1Very high76 Ų7617 Ų1736%0.3559%0.09SC..SBendtrans-53.5132.9171.8-87.8-95.8124.300112.5Q16 A235 G236Q16-E233 HydrophobicContact CB-CG 3.85Å; E233-A235 PolarHBondContact O-N 2.79Å; E233-A235 VanDerWaalsContact O-N 3.13Å; E233-G236 WeakPolarHBondContact O-CA 3.22Å; E233-G236 PolarHBondContact O-N 2.63Å
234R94.1Very high97.1Very high116 Ų11616.7 Ų16.744%0.4389%0.089SC..THydrogen-bonded Turntrans59.2-106.9172.4-51.1175.2-55.1-74.9-5.3113.1T170 D205 G232 G236T170-R234 PolarHBondContact O-NH2 2.97Å; D205-R234 WeakPolarHBondContact OD1-CD 3.43Å; D205-R234 IonicContact OD1-CZ 3.93Å; D205-R234 IonicContact OD1-NE 3.96Å; D205-R234 PolarHBondContact OD1-NE 3.09Å; D205-R234 IonicContact OD1-NH2 2.78Å; D205-R234 IonicContact OD2-CZ 2.68Å; D205-R234 IonicContact OD2-NE 2.64Å; D205-R234 PolarHBondContact OD2-NE 3.22Å; D205-R234 IonicContact OD2-NH2 2.79Å; D205-R234 PolarHBondContact OD2-NH2 2.89Å; G232-R234 PolarHBondContact O-N 3.13Å; R234-G236 VanDerWaalsContact C-N 3.27Å
235A94.9Very high97Very high54 Ų5416.9 Ų16.945%0.4469%0.09SC..THydrogen-bonded Turntrans-81.9-9.4176.400000112.5D204 E233D204-A235 VanDerWaalsContact C-CB 3.47Å; D204-A235 HydrophobicContact CB-CB 4.23Å; D204-A235 WeakPolarHBondContact O-CB 3.37Å; E233-A235 PolarHBondContact O-N 2.79Å; E233-A235 VanDerWaalsContact O-N 3.13Å
236G96.2Very high96.9Very high2 Ų218.1 Ų18.12%0.02110%0.1CC..  trans103.2-174.2176.100000114H203 D204 G230 E233 R234H203-G236 VanDerWaalsContact CA-O 3.31Å; H203-G236 WeakPolarHBondContact CA-O 3.33Å; D204-G236 PolarHBondContact N-O 2.64Å; G230-G236 WeakPolarHBondContact O-CA 3.26Å; E233-G236 WeakPolarHBondContact O-CA 3.22Å; E233-G236 PolarHBondContact O-N 2.63Å; R234-G236 VanDerWaalsContact C-N 3.27Å
237N98Very high96.8Very high3 Ų318.3 Ų18.32%0.01610%0.101CC..BIsolated β-bridgetrans-97.4172.4176.5-70.3-70.6000110.9D13 C202 H203 A227 G230 I231 G232 A239D13-N237 WeakPolarHBondContact CB-ND2 3.37Å; D13-N237 PolarHBondContact OD1-ND2 3.19Å; C202-N237 CarbonylContact O-C 3.55Å; H203-N237 PolarHBondContact CE1-OD1 2.94Å; A227-N237 HydrophobicContact CB-CB 4.15Å; G230-N237 WeakPolarHBondContact CA-O 3.28Å; G230-N237 PolarHBondContact O-N 2.73Å; I231-N237 PolarHBondContact O-N 3.07Å; I231-N237 PolarHBondContact O-ND2 2.99Å; G232-N237 WeakPolarHBondContact CA-ND2 3.35Å; N237-A239 PolarHBondContact O-N 3.2Å
238T98.5Very high96.6Very high0 Ų020.3 Ų20.30%012%0.117CC..  trans-50.3126.8165.6-59.40000110.5C202 A213 G226 A227 L240 V243C202-T238 WeakPolarHBondContact CB-OG1 3.1Å; C202-T238 PolarHBondContact O-N 2.81Å; C202-T238 PolarHBondContact O-OG1 2.85Å; C202-T238 VanDerWaalsContact O-OG1 3.04Å; A213-T238 HydrophobicContact CB-CG2 3.83Å; G226-T238 CarbonylContact C-O 3.52Å; G226-T238 WeakPolarHBondContact CA-O 3.49Å; A227-T238 PolarHBondContact N-O 3.14Å; T238-L240 PolarHBondContact O-N 3.05Å; T238-V243 HydrophobicContact CG2-CG2 3.58Å
239A98.2Very high96.4Very high4 Ų422.7 Ų22.73%0.03313%0.13CC..BIsolated β-bridgetrans-73.9106.117500000110.1N237 E241 E242 V243N237-A239 PolarHBondContact O-N 3.2Å; A239-E241 VanDerWaalsContact C-N 3.25Å; A239-E241 WeakPolarHBondContact CB-OE1 3.42Å; A239-E241 PolarHBondContact O-N 3.4Å; A239-E242 HydrophobicContact CB-CB 4.18Å; A239-E242 VanDerWaalsContact CB-CD 3.42Å; A239-E242 HydrophobicContact CB-CG 3.74Å; A239-E242 WeakPolarHBondContact O-CB 3.32Å; A239-E242 PolarHBondContact O-N 2.69Å; A239-E242 VanDerWaalsContact O-N 3.1Å; A239-V243 PolarHBondContact O-N 3.33Å
240L98.5Very high96.3Very high0 Ų027 Ų270%014%0.144CC..Hα-helixtrans-62.5-33.9-174.7-72.1-176.8000112.8F6 D8 W37 V224 G226 A227 T238 E242 V243 A244F6-L240 HydrophobicContact CD1-CB 4.32Å; F6-L240 HydrophobicContact CD1-CD2 3.99Å; F6-L240 HydrophobicContact CE1-CD2 4.36Å; D8-L240 HydrophobicContact CB-CD1 3.94Å; W37-L240 HydrophobicContact CH2-CB 3.86Å; W37-L240 HydrophobicContact CZ3-CB 4.09Å; V224-L240 HydrophobicContact CG1-CD2 4.45Å; V224-L240 HydrophobicContact CG2-CD2 4.33Å; G226-L240 WeakPolarHBondContact O-CD1 3.31Å; A227-L240 PolarHBondContact O-N 2.94Å; T238-L240 PolarHBondContact O-N 3.05Å; L240-E242 PolarHBondContact O-N 2.92Å; L240-V243 PolarHBondContact O-N 2.94Å; L240-A244 WeakPolarHBondContact O-CB 3.39Å; L240-A244 PolarHBondContact O-N 2.92Å
241E97.7Very high96.2Very high2 Ų230.3 Ų30.31%0.00916%0.155CC..Hα-helixtrans-62.2-32.3177.366.1-77.7179.900112.8W37 N229 A239 L245 T265 K284 V287W37-E241 HydrophobicContact CH2-CB 4.35Å; W37-E241 HydrophobicContact CZ2-CB 4.2Å; N229-E241 WeakPolarHBondContact CA-OE1 3.45Å; N229-E241 PolarHBondContact N-OE1 3.26Å; N229-E241 PolarHBondContact N-OE2 3.43Å; A239-E241 VanDerWaalsContact C-N 3.25Å; A239-E241 WeakPolarHBondContact CB-OE1 3.42Å; A239-E241 PolarHBondContact O-N 3.4Å; E241-L245 WeakPolarHBondContact O-CB 3.41Å; E241-L245 PolarHBondContact O-N 3.49Å; E241-T265 HydrophobicContact CB-CG2 3.65Å; E241-K284 WeakPolarHBondContact OE1-CE 3.32Å; E241-K284 IonicContact OE1-NZ 2.69Å; E241-K284 PolarHBondContact OE1-NZ 3.11Å; E241-V287 HydrophobicContact CB-CG1 4.44Å; E241-V287 HydrophobicContact CG-CG1 4.04Å; E241-V287 HydrophobicContact CG-CG2 4.28Å
242E97.9Very high96Very high42 Ų4234.9 Ų34.920%0.19618%0.18CC..Hα-helixtrans-73.6-43.4178.6-62.5174.8-168.600110.6T210 A239 L240 A246 K284 A285 I286T210-E242 HydrophobicContact CG2-CB 3.79Å; T210-E242 PolarHBondContact OG1-OE2 3.3Å; A239-E242 HydrophobicContact CB-CB 4.18Å; A239-E242 VanDerWaalsContact CB-CD 3.42Å; A239-E242 HydrophobicContact CB-CG 3.74Å; A239-E242 WeakPolarHBondContact O-CB 3.32Å; A239-E242 PolarHBondContact O-N 2.69Å; A239-E242 VanDerWaalsContact O-N 3.1Å; L240-E242 PolarHBondContact O-N 2.92Å; E242-A246 VanDerWaalsContact O-CB 3.25Å; E242-A246 WeakPolarHBondContact O-CB 3.32Å; E242-A246 PolarHBondContact O-N 3.33Å; E242-K284 IonicContact OE1-NZ 3.68Å; E242-K284 PolarHBondContact OE1-NZ 3.19Å; E242-A285 HydrophobicContact CG-CB 4.11Å; E242-I286 HydrophobicContact CG-CG1 4.32Å
243V98.2Very high96Very high0 Ų040.1 Ų40.10%020%0.202CC..Hα-helixtrans-63.9-47.4175.5-178.30000110.5F6 T210 A213 L214 I217 V224 T238 A239 L240 L245 A246 L247F6-V243 HydrophobicContact CE1-CB 4.23Å; F6-V243 HydrophobicContact CE1-CG1 4.25Å; F6-V243 HydrophobicContact CZ-CB 4.39Å; F6-V243 HydrophobicContact CZ-CG1 4.01Å; T210-V243 HydrophobicContact CG2-CG2 4.05Å; A213-V243 HydrophobicContact CB-CG2 4.22Å; L214-V243 HydrophobicContact CD2-CG1 4.11Å; I217-V243 HydrophobicContact CD1-CG1 4.06Å; V224-V243 HydrophobicContact CG1-CG1 4.18Å; V224-V243 HydrophobicContact CG2-CG1 4.34Å; V224-V243 HydrophobicContact CG2-CG2 4.41Å; T238-V243 HydrophobicContact CG2-CG2 3.58Å; A239-V243 PolarHBondContact O-N 3.33Å; L240-V243 PolarHBondContact O-N 2.94Å; V243-L245 VanDerWaalsContact C-N 3.31Å; V243-L245 PolarHBondContact O-N 3.11Å; V243-A246 PolarHBondContact O-N 3.36Å; V243-L247 HydrophobicContact CG1-CD1 4.22Å; V243-L247 HydrophobicContact CG1-CG 4.29Å; V243-L247 WeakPolarHBondContact O-CG 3.15Å; V243-L247 PolarHBondContact O-N 3.48Å
244A97.7Very high96.1Very high1 Ų138.1 Ų38.11%0.00819%0.192CC..Hα-helixtrans-55.5-46.7179.800000111.9F6 W37 L240 A248 I260F6-A244 HydrophobicContact CE1-CB 3.73Å; F6-A244 VanDerWaalsContact CZ-CA 3.49Å; F6-A244 HydrophobicContact CZ-CB 3.79Å; W37-A244 HydrophobicContact CZ2-CB 4.24Å; L240-A244 WeakPolarHBondContact O-CB 3.39Å; L240-A244 PolarHBondContact O-N 2.92Å; A244-A248 WeakPolarHBondContact O-CB 3.18Å; A244-A248 PolarHBondContact O-N 3.38Å; A244-A248 VanDerWaalsContact O-N 3.15Å; A244-I260 HydrophobicContact CB-CB 4.33Å; A244-I260 HydrophobicContact CB-CG1 4.13Å; A244-I260 HydrophobicContact CB-CG2 3.96Å
245L96.3Very high96.1Very high4 Ų438.5 Ų38.52%0.02120%0.198CC..Hα-helixtrans-75.9-34.6-178.7-156.865.1000112.5E241 V243 L247 A248 I249 L262 I286 I313 L317 V318E241-L245 WeakPolarHBondContact O-CB 3.41Å; E241-L245 PolarHBondContact O-N 3.49Å; V243-L245 VanDerWaalsContact C-N 3.31Å; V243-L245 PolarHBondContact O-N 3.11Å; L245-L247 PolarHBondContact O-N 2.94Å; L245-A248 PolarHBondContact O-N 3.5Å; L245-I249 HydrophobicContact CD1-CG1 4.31Å; L245-I249 HydrophobicContact CG-CG1 4.02Å; L245-I249 WeakPolarHBondContact O-CB 3.47Å; L245-I249 VanDerWaalsContact O-CG1 3.3Å; L245-I249 WeakPolarHBondContact O-CG1 3.25Å; L245-I249 PolarHBondContact O-N 3.28Å; L245-L262 HydrophobicContact CD1-CD1 3.99Å; L245-L262 HydrophobicContact CD1-CD2 3.79Å; L245-L262 HydrophobicContact CD1-CG 4.39Å; L245-I286 HydrophobicContact CB-CD1 4.37Å; L245-I286 HydrophobicContact CB-CG1 4.19Å; L245-I286 HydrophobicContact CB-CG2 4.42Å; L245-I286 HydrophobicContact CD2-CB 4.13Å; L245-I286 HydrophobicContact CD2-CD1 3.55Å; L245-I286 HydrophobicContact CD2-CG1 3.79Å; L245-I286 HydrophobicContact CD2-CG2 3.41Å; L245-I286 VanDerWaalsContact CD2-CG2 3.41Å; L245-I286 HydrophobicContact CG-CD1 4.45Å; L245-I313 HydrophobicContact CD2-CB 4.42Å; L245-I313 HydrophobicContact CD2-CD1 3.47Å; L245-I313 VanDerWaalsContact CD2-CD1 3.47Å; L245-I313 HydrophobicContact CD2-CG1 3.77Å; L245-I313 HydrophobicContact CD2-CG2 3.76Å; L245-I313 HydrophobicContact CG-CD1 4.24Å; L245-I313 HydrophobicContact CG-CG1 4.3Å; L245-L317 HydrophobicContact CD1-CD2 4.14Å; L245-V318 HydrophobicContact CD1-CG1 4.03Å; L245-V318 HydrophobicContact CD2-CG1 3.7Å
246A96.9Very high96.1Very high26 Ų2636.1 Ų36.122%0.21518%0.178CC..Hα-helixtrans-58.6-46.4172.700000111.6L214 E242 V243 A248 R250L214-A246 HydrophobicContact CD1-CB 3.94Å; L214-A246 HydrophobicContact CD2-CB 4.06Å; E242-A246 VanDerWaalsContact O-CB 3.25Å; E242-A246 WeakPolarHBondContact O-CB 3.32Å; E242-A246 PolarHBondContact O-N 3.33Å; V243-A246 PolarHBondContact O-N 3.36Å; A246-A248 VanDerWaalsContact C-N 3.33Å; A246-A248 PolarHBondContact O-N 3.24Å; A246-R250 VanDerWaalsContact O-CB 3.28Å; A246-R250 WeakPolarHBondContact O-CB 3.4Å; A246-R250 PolarHBondContact O-N 3.43Å
247L96.5Very high96Very high5 Ų540.5 Ų40.53%0.02620%0.198CC..Hα-helixtrans-64.7-36.2177.4-62.9-176000112.5I4 F6 L214 I217 V243 L245 K251 Y254I4-L247 HydrophobicContact CB-CD1 4.15Å; I4-L247 HydrophobicContact CG1-CD1 4.07Å; I4-L247 HydrophobicContact CG2-CD1 4.16Å; F6-L247 HydrophobicContact CE2-CD1 4.13Å; F6-L247 HydrophobicContact CZ-CD1 4.11Å; L214-L247 HydrophobicContact CD2-CD2 3.76Å; L214-L247 HydrophobicContact CD2-CG 4.39Å; I217-L247 HydrophobicContact CD1-CD1 4.13Å; I217-L247 HydrophobicContact CD1-CD2 4.22Å; I217-L247 HydrophobicContact CG2-CD2 4.41Å; V243-L247 HydrophobicContact CG1-CD1 4.22Å; V243-L247 HydrophobicContact CG1-CG 4.29Å; V243-L247 WeakPolarHBondContact O-CG 3.15Å; V243-L247 PolarHBondContact O-N 3.48Å; L245-L247 PolarHBondContact O-N 2.94Å; L247-K251 WeakPolarHBondContact O-CA 3.24Å; L247-K251 PolarHBondContact O-N 3.29Å; L247-K251 VanDerWaalsContact O-N 3.17Å; L247-Y254 HydrophobicContact CD2-CD1 3.98Å; L247-Y254 HydrophobicContact CD2-CD2 3.86Å; L247-Y254 HydrophobicContact CD2-CE1 4.49Å; L247-Y254 HydrophobicContact CD2-CE2 4.41Å; L247-Y254 HydrophobicContact CD2-CG 3.66Å
248A94.9Very high96Very high41 Ų4142.2 Ų42.234%0.33921%0.211SC..Hα-helixtrans-72.3-48179.400000112.9A244 L245 A246 L262A244-A248 WeakPolarHBondContact O-CB 3.18Å; A244-A248 PolarHBondContact O-N 3.38Å; A244-A248 VanDerWaalsContact O-N 3.15Å; L245-A248 PolarHBondContact O-N 3.5Å; A246-A248 VanDerWaalsContact C-N 3.33Å; A246-A248 PolarHBondContact O-N 3.24Å; A248-L262 HydrophobicContact CB-CD1 3.64Å; A248-L262 HydrophobicContact CB-CD2 4.23Å; A248-L262 HydrophobicContact CB-CG 4.49Å
249I94Very high95.9Very high54 Ų5445.8 Ų45.828%0.27723%0.229SC..Hα-helixtrans-70.1-37.7-179.8-63.5-58.7000110.9L245 I312 I313 L317L245-I249 HydrophobicContact CD1-CG1 4.31Å; L245-I249 HydrophobicContact CG-CG1 4.02Å; L245-I249 WeakPolarHBondContact O-CB 3.47Å; L245-I249 VanDerWaalsContact O-CG1 3.3Å; L245-I249 WeakPolarHBondContact O-CG1 3.25Å; L245-I249 PolarHBondContact O-N 3.28Å; I249-I312 WeakPolarHBondContact CD1-O 3.46Å; I249-I313 HydrophobicContact CD1-CG1 3.9Å; I249-I313 HydrophobicContact CG1-CG1 3.83Å; I249-L317 HydrophobicContact CD1-CD2 3.86Å
250R94.8Very high95.9Very high109 Ų10946.4 Ų46.441%0.41123%0.232SC..THydrogen-bonded Turntrans-10236179.1-60.4-61-54-69.6-0.6112.8A246 D252 F253 Y254A246-R250 VanDerWaalsContact O-CB 3.28Å; A246-R250 WeakPolarHBondContact O-CB 3.4Å; A246-R250 PolarHBondContact O-N 3.43Å; R250-D252 WeakPolarHBondContact CA-OD1 3.31Å; R250-D252 IonicContact NE-OD1 3.21Å; R250-D252 PolarHBondContact NE-OD1 2.9Å; R250-D252 IonicContact NE-OD2 3.68Å; R250-D252 IonicContact NH2-OD2 3.68Å; R250-D252 PolarHBondContact O-N 3.37Å; R250-F253 HydrophobicContact CB-CB 4.34Å; R250-F253 PolarHBondContact O-N 2.88Å; R250-Y254 HydrophobicContact CB-CD2 3.76Å; R250-Y254 HydrophobicContact CB-CE2 3.85Å; R250-Y254 WeakPolarHBondContact O-CD2 3.48Å; R250-Y254 PolarHBondContact O-N 3.01Å
251K93.3Very high95.8Very high84 Ų8449.7 Ų49.737%0.36525%0.252SS..Hα-helixtrans-57.8-29175.9-172.6172-175.3174.20112M1 L247 F253 Q255 E257M1-K251 HydrophobicContact CE-CG 4.19Å; M1-K251 HydrophobicContact SD-CD 4.4Å; M1-K251 WeakPolarHBondContact SD-CE 3.43Å; M1-K251 HydrophobicContact SD-CG 4.23Å; L247-K251 WeakPolarHBondContact O-CA 3.24Å; L247-K251 PolarHBondContact O-N 3.29Å; L247-K251 VanDerWaalsContact O-N 3.17Å; K251-F253 VanDerWaalsContact C-N 3.3Å; K251-F253 PolarHBondContact O-N 2.94Å; K251-Q255 WeakPolarHBondContact O-CA 3.46Å; K251-Q255 PolarHBondContact O-N 3.07Å; K251-Q255 VanDerWaalsContact O-N 3.08Å; K251-E257 IonicContact NZ-OE1 3.69Å; K251-E257 PolarHBondContact NZ-OE1 3.3Å
252D93.5Very high95.8Very high108 Ų10851 Ų5158%0.57826%0.259SS*.Hα-helixtrans-59.7-37.9172.967.3-49.5000112.9R250R250-D252 WeakPolarHBondContact CA-OD1 3.31Å; R250-D252 IonicContact NE-OD1 3.21Å; R250-D252 PolarHBondContact NE-OD1 2.9Å; R250-D252 IonicContact NE-OD2 3.68Å; R250-D252 IonicContact NH2-OD2 3.68Å; R250-D252 PolarHBondContact O-N 3.37Å
253F94.5Very high95.6Very high111 Ų11153.7 Ų53.749%0.48728%0.275SS..Hα-helixtrans-91.6-53.5-175.3-176.7-97.1000112.4E218 R250 K251E218-F253 HydrophobicContact CG-CE1 4.37Å; R250-F253 HydrophobicContact CB-CB 4.34Å; R250-F253 PolarHBondContact O-N 2.88Å; K251-F253 VanDerWaalsContact C-N 3.3Å; K251-F253 PolarHBondContact O-N 2.94Å
254Y94.6Very high95.5Very high35 Ų3555.3 Ų55.314%0.13728%0.282CS..Hα-helixtrans-76.6-22.5-176.7-68.1-75.6000113.5L214 I217 E218 L247 R250 C256L214-Y254 HydrophobicContact CB-CE1 4.27Å; L214-Y254 HydrophobicContact CD2-CE1 4.1Å; L214-Y254 HydrophobicContact CD2-CE2 4.26Å; I217-Y254 HydrophobicContact CG2-CD1 4.46Å; E218-Y254 HydrophobicContact CG-CD1 3.99Å; E218-Y254 HydrophobicContact CG-CE1 3.56Å; E218-Y254 WeakPolarHBondContact OE1-CE1 3.48Å; E218-Y254 PolarHBondContact OE1-OH 3.1Å; E218-Y254 VanDerWaalsContact OE1-OH 3.12Å; L247-Y254 HydrophobicContact CD2-CD1 3.98Å; L247-Y254 HydrophobicContact CD2-CD2 3.86Å; L247-Y254 HydrophobicContact CD2-CE1 4.49Å; L247-Y254 HydrophobicContact CD2-CE2 4.41Å; L247-Y254 HydrophobicContact CD2-CG 3.66Å; R250-Y254 HydrophobicContact CB-CD2 3.76Å; R250-Y254 HydrophobicContact CB-CE2 3.85Å; R250-Y254 WeakPolarHBondContact O-CD2 3.48Å; R250-Y254 PolarHBondContact O-N 3.01Å; Y254-C256 VanDerWaalsContact CB-SG 3.59Å; Y254-C256 PolarHBondContact O-N 3.32Å
255Q93.9Very high95.5Very high124 Ų12455.5 Ų55.558%0.57928%0.283SS*.  trans50.941.1177.3-58.2-176.5-7.800113.8M1 K251M1-Q255 VanDerWaalsContact CB-O 3.25Å; M1-Q255 WeakPolarHBondContact CB-O 3.44Å; M1-Q255 HydrophobicContact CE-CB 4.26Å; M1-Q255 VanDerWaalsContact CG-O 3.24Å; M1-Q255 WeakPolarHBondContact CG-O 3.44Å; K251-Q255 WeakPolarHBondContact O-CA 3.46Å; K251-Q255 PolarHBondContact O-N 3.07Å; K251-Q255 VanDerWaalsContact O-N 3.08Å
256C94.3Very high95.4Very high4 Ų456.1 Ų56.13%0.02729%0.286CS..EExtended strand (participates in β ladder)trans-125.8165.9-176.2650000112.4R2 I4 Y254R2-C256 CarbonylContact O-C 3.58Å; R2-C256 WeakPolarHBondContact O-CA 3.44Å; R2-C256 VanDerWaalsContact O-CB 3.27Å; R2-C256 WeakPolarHBondContact O-CB 3.41Å; I4-C256 HydrophobicContact CD1-CB 4.32Å; I4-C256 HydrophobicContact CG1-CB 3.76Å; Y254-C256 VanDerWaalsContact CB-SG 3.59Å; Y254-C256 PolarHBondContact O-N 3.32Å
257E94.9Very high95.3Very high93 Ų9361.5 Ų61.544%0.43530%0.301SS..EExtended strand (participates in β ladder)trans-131.9151.9177.2-64.3-176.5147.700109.9M1 R2 K3 I4 K251M1-E257 HydrophobicContact CB-CG 3.88Å; M1-E257 HydrophobicContact SD-CG 3.93Å; R2-E257 PolarHBondContact O-N 3.39Å; K3-E257 CarbonylContact C-O 3.6Å; K3-E257 VanDerWaalsContact CA-O 3.31Å; K3-E257 WeakPolarHBondContact CA-O 3.4Å; I4-E257 PolarHBondContact N-O 3.06Å; K251-E257 IonicContact NZ-OE1 3.69Å; K251-E257 PolarHBondContact NZ-OE1 3.3Å
258S96.3Very high95.3Very high40 Ų4061.4 Ų61.428%0.2830%0.3SS..  trans-136.5168.4174.669.50000110I260S258-I260 VanDerWaalsContact C-N 3.27Å
259N96.8Very high95.4Very high74 Ų7459.5 Ų59.540%0.39628%0.284SS..  trans-850.2175.4-72-16.5000113.1K3 G38 D40 V261K3-N259 VanDerWaalsContact CE-CG 3.48Å; K3-N259 WeakPolarHBondContact CE-ND2 3.42Å; K3-N259 WeakPolarHBondContact CE-OD1 3.41Å; K3-N259 PolarHBondContact NZ-ND2 2.84Å; K3-N259 PolarHBondContact NZ-OD1 3.33Å; G38-N259 WeakPolarHBondContact CA-O 3.37Å; G38-N259 CarbonylContact O-C 3.52Å; G38-N259 VanDerWaalsContact O-CB 3.24Å; G38-N259 WeakPolarHBondContact O-CB 3.31Å; D40-N259 PolarHBondContact OD1-ND2 2.89Å; N259-V261 PolarHBondContact O-N 3.28Å
260I97.9Very high95.5Very high17 Ų1761.1 Ų61.19%0.08729%0.291CS..  trans-66.3126.3-172.3-59-65.6000111.3F6 W37 V39 A244 S258 L262F6-I260 HydrophobicContact CB-CD1 4.03Å; F6-I260 HydrophobicContact CD1-CD1 4.07Å; F6-I260 HydrophobicContact CD1-CG1 4.17Å; F6-I260 HydrophobicContact CD2-CD1 4.19Å; F6-I260 HydrophobicContact CD2-CG1 3.78Å; F6-I260 HydrophobicContact CE1-CG1 4.38Å; F6-I260 HydrophobicContact CE2-CG1 4.01Å; F6-I260 HydrophobicContact CG-CD1 3.81Å; F6-I260 HydrophobicContact CG-CG1 3.88Å; F6-I260 HydrophobicContact CZ-CG1 4.32Å; W37-I260 HydrophobicContact CD2-CD1 4.22Å; W37-I260 HydrophobicContact CD2-CG2 4.3Å; W37-I260 HydrophobicContact CE3-CD1 4.2Å; W37-I260 HydrophobicContact CG-CG2 4.5Å; W37-I260 HydrophobicContact CH2-CD1 4.45Å; W37-I260 HydrophobicContact CZ2-CD1 4.5Å; W37-I260 HydrophobicContact CZ2-CG2 3.96Å; W37-I260 HydrophobicContact CZ3-CD1 4.28Å; W37-I260 CarbonylContact O-C 3.45Å; W37-I260 WeakPolarHBondContact O-CA 3.47Å; V39-I260 HydrophobicContact CG2-CD1 4.33Å; A244-I260 HydrophobicContact CB-CB 4.33Å; A244-I260 HydrophobicContact CB-CG1 4.13Å; A244-I260 HydrophobicContact CB-CG2 3.96Å; S258-I260 VanDerWaalsContact C-N 3.27Å; I260-L262 HydrophobicContact CG2-CD2 4.15Å; I260-L262 PolarHBondContact O-N 3.06Å
261V97.4Very high95.4Very high70 Ų7056.6 Ų56.642%0.42428%0.275SS..  trans-89.593173.6-175.40000108.3W37 N259 N263 E264W37-V261 PolarHBondContact O-N 3.22Å; N259-V261 PolarHBondContact O-N 3.28Å; V261-N263 PolarHBondContact O-N 2.85Å; V261-N263 VanDerWaalsContact O-N 3.1Å; V261-E264 HydrophobicContact CB-CG 4.3Å; V261-E264 HydrophobicContact CG1-CG 3.98Å; V261-E264 PolarHBondContact O-N 3.4Å
262L96.4Very high95.6Very high30 Ų3052.6 Ų52.616%0.15726%0.257CS..G310 helixtrans-53.7-36.8-171-62.4175.3000114L245 A248 I260 E264 T265 L317 V318L245-L262 HydrophobicContact CD1-CD1 3.99Å; L245-L262 HydrophobicContact CD1-CD2 3.79Å; L245-L262 HydrophobicContact CD1-CG 4.39Å; A248-L262 HydrophobicContact CB-CD1 3.64Å; A248-L262 HydrophobicContact CB-CD2 4.23Å; A248-L262 HydrophobicContact CB-CG 4.49Å; I260-L262 HydrophobicContact CG2-CD2 4.15Å; I260-L262 PolarHBondContact O-N 3.06Å; L262-E264 PolarHBondContact O-N 3.43Å; L262-E264 VanDerWaalsContact O-N 3.12Å; L262-T265 WeakPolarHBondContact O-CB 3.36Å; L262-T265 PolarHBondContact O-N 3.34Å; L262-T265 PolarHBondContact O-OG1 3.45Å; L262-L317 CarbonylContact C-O 3.59Å; L262-L317 HydrophobicContact CB-CD1 4.38Å; L262-L317 HydrophobicContact CB-CG 4.42Å; L262-L317 VanDerWaalsContact CB-O 3.29Å; L262-L317 WeakPolarHBondContact CB-O 3.34Å; L262-L317 HydrophobicContact CD1-CD1 3.86Å; L262-L317 HydrophobicContact CD1-CD2 4.31Å; L262-L317 HydrophobicContact CD1-CG 4.05Å; L262-V318 CarbonylContact O-C 3.57Å; L262-V318 VanDerWaalsContact O-CA 3.32Å; L262-V318 WeakPolarHBondContact O-CA 3.46Å
263N94.5Very high95.6Very high98 Ų9848.5 Ų48.552%0.52424%0.237SC..G310 helixtrans-64-16.2179.1-169.27.3000113.5V261 L317 G319V261-N263 PolarHBondContact O-N 2.85Å; V261-N263 VanDerWaalsContact O-N 3.1Å; N263-L317 WeakPolarHBondContact CA-O 3.28Å; N263-L317 PolarHBondContact N-O 2.92Å; N263-L317 VanDerWaalsContact N-O 3.14Å; N263-G319 VanDerWaalsContact O-CA 3.3Å; N263-G319 WeakPolarHBondContact O-CA 3.46Å; N263-G319 WeakPolarHBondContact OD1-CA 3.3Å
264E96.5Very high95.6Very high33 Ų3351.6 Ų51.615%0.15425%0.245CC..G310 helixtrans-89.1-3.2175.2-64.8-72153.900112.8Q33 K36 W37 V261 L262 R267 T268Q33-E264 PolarHBondContact NE2-OE2 2.73Å; K36-E264 VanDerWaalsContact CE-CD 3.47Å; K36-E264 WeakPolarHBondContact CE-OE1 3.43Å; K36-E264 WeakPolarHBondContact CE-OE2 3.48Å; K36-E264 HydrophobicContact CG-CG 4.4Å; K36-E264 IonicContact NZ-OE1 3.22Å; K36-E264 PolarHBondContact NZ-OE1 2.81Å; K36-E264 IonicContact NZ-OE2 3.84Å; K36-E264 PolarHBondContact NZ-OE2 2.67Å; W37-E264 HydrophobicContact CB-CB 4.36Å; W37-E264 HydrophobicContact CG-CB 4.45Å; V261-E264 HydrophobicContact CB-CG 4.3Å; V261-E264 HydrophobicContact CG1-CG 3.98Å; V261-E264 PolarHBondContact O-N 3.4Å; L262-E264 PolarHBondContact O-N 3.43Å; L262-E264 VanDerWaalsContact O-N 3.12Å; E264-R267 PolarHBondContact O-N 3.15Å; E264-T268 PolarHBondContact O-N 3.04Å; E264-T268 PolarHBondContact O-OG1 2.95Å
265T97.2Very high95.4Very high5 Ų551.6 Ų51.63%0.03125%0.248CC..Hα-helixtrans-62.7-53.5-171-55.50000113.2W37 E241 L262 R267 T268 S269 I286 V287W37-T265 HydrophobicContact CZ2-CG2 4.22Å; W37-T265 PolarHBondContact NE1-OG1 2.89Å; E241-T265 HydrophobicContact CB-CG2 3.65Å; L262-T265 WeakPolarHBondContact O-CB 3.36Å; L262-T265 PolarHBondContact O-N 3.34Å; L262-T265 PolarHBondContact O-OG1 3.45Å; T265-R267 VanDerWaalsContact C-N 3.31Å; T265-R267 PolarHBondContact O-N 2.94Å; T265-T268 PolarHBondContact O-N 3.46Å; T265-S269 WeakPolarHBondContact O-CB 3.35Å; T265-S269 PolarHBondContact O-N 3.2Å; T265-I286 HydrophobicContact CG2-CG2 4.32Å; T265-V287 HydrophobicContact CG2-CG1 3.97Å
266K94.1Very high95.3Very high17 Ų1746.1 Ų46.17%0.07422%0.223CC..Hα-helixtrans-61.1-42.1-179.9-177.871.8178.5-165.70111.1T268 S269 E270 V287 D289 V318 V320K266-T268 PolarHBondContact O-N 3.31Å; K266-S269 WeakPolarHBondContact O-CB 3.08Å; K266-S269 PolarHBondContact O-N 3.11Å; K266-E270 HydrophobicContact CD-CG 4.43Å; K266-E270 WeakPolarHBondContact CE-OE1 3.41Å; K266-E270 HydrophobicContact CG-CG 4.38Å; K266-E270 WeakPolarHBondContact O-CB 3.48Å; K266-E270 WeakPolarHBondContact O-CG 3.43Å; K266-E270 PolarHBondContact O-N 2.94Å; K266-V287 PolarHBondContact NZ-O 3.45Å; K266-D289 IonicContact NZ-OD1 3.46Å; K266-D289 PolarHBondContact NZ-OD1 3.03Å; K266-V318 VanDerWaalsContact CB-O 3.3Å; K266-V318 WeakPolarHBondContact CB-O 3.14Å; K266-V318 PolarHBondContact N-O 2.77Å; K266-V320 HydrophobicContact CB-CG2 4.17Å; K266-V320 HydrophobicContact CD-CG2 4.08Å; K266-V320 HydrophobicContact CG-CG2 3.92Å
267R94.3Very high95Very high140 Ų14048.9 Ų48.953%0.52825%0.252SS..Hα-helixtrans-61.4-43177.4-178.7179.2174.9154.95112.4E264 T265 L271E264-R267 PolarHBondContact O-N 3.15Å; T265-R267 VanDerWaalsContact C-N 3.31Å; T265-R267 PolarHBondContact O-N 2.94Å; R267-L271 WeakPolarHBondContact O-CB 3.43Å; R267-L271 PolarHBondContact O-N 2.62Å
268T97.5Very high94.8Very high2 Ų247.3 Ų47.31%0.01225%0.246CC..Hα-helixtrans-63.8-44.8176-58.30000111Q33 L34 W37 I228 E264 T265 K266 L271 V272Q33-T268 HydrophobicContact CG-CG2 4.24Å; Q33-T268 WeakPolarHBondContact CG-OG1 3.17Å; Q33-T268 PolarHBondContact NE2-OG1 3.48Å; L34-T268 HydrophobicContact CD2-CG2 4.05Å; W37-T268 HydrophobicContact CD2-CG2 4.34Å; W37-T268 HydrophobicContact CE3-CG2 4.25Å; I228-T268 HydrophobicContact CD1-CG2 3.84Å; I228-T268 HydrophobicContact CG1-CG2 3.93Å; I228-T268 HydrophobicContact CG2-CG2 4.26Å; E264-T268 PolarHBondContact O-N 3.04Å; E264-T268 PolarHBondContact O-OG1 2.95Å; T265-T268 PolarHBondContact O-N 3.46Å; K266-T268 PolarHBondContact O-N 3.31Å; T268-L271 PolarHBondContact O-N 2.93Å; T268-V272 WeakPolarHBondContact O-CG2 3.4Å; T268-V272 PolarHBondContact O-N 3.41Å; T268-V272 VanDerWaalsContact O-N 3.08Å
269S97.4Very high94.6Very high1 Ų150.2 Ų50.21%0.00726%0.264CS..Hα-helixtrans-58.6-48.6175.5171.20000112.9N229 T265 K266 L271 V272 S273 V287N229-S269 PolarHBondContact ND2-O 2.85Å; N229-S269 VanDerWaalsContact OD1-CB 3.23Å; N229-S269 WeakPolarHBondContact OD1-CB 3.29Å; N229-S269 PolarHBondContact OD1-OG 3.29Å; T265-S269 WeakPolarHBondContact O-CB 3.35Å; T265-S269 PolarHBondContact O-N 3.2Å; K266-S269 WeakPolarHBondContact O-CB 3.08Å; K266-S269 PolarHBondContact O-N 3.11Å; S269-L271 PolarHBondContact O-N 3.16Å; S269-V272 PolarHBondContact O-N 2.94Å; S269-S273 WeakPolarHBondContact O-CB 3.44Å; S269-S273 PolarHBondContact O-N 2.86Å; S269-V287 WeakPolarHBondContact OG-CB 3.39Å
270E94.5Very high94.4Very high88 Ų8848.3 Ų48.341%0.41126%0.255SS..Hα-helixtrans-65.1-37.7178.8-74.6175.717800112.5K266 R274K266-E270 HydrophobicContact CD-CG 4.43Å; K266-E270 WeakPolarHBondContact CE-OE1 3.41Å; K266-E270 HydrophobicContact CG-CG 4.38Å; K266-E270 WeakPolarHBondContact O-CB 3.48Å; K266-E270 WeakPolarHBondContact O-CG 3.43Å; K266-E270 PolarHBondContact O-N 2.94Å; E270-R274 VanDerWaalsContact O-CB 3.23Å; E270-R274 WeakPolarHBondContact O-CB 3.46Å; E270-R274 PolarHBondContact O-N 3.02Å
271L94.3Very high94.2Very high14 Ų1450.8 Ų50.87%0.07327%0.272CS..Hα-helixtrans-62.4-50.2175.8176.163.6000110.9Q29 I30 Q33 R267 T268 S269 R274 L275Q29-L271 HydrophobicContact CG-CD1 4.24Å; Q29-L271 HydrophobicContact CG-CD2 4.27Å; I30-L271 HydrophobicContact CG1-CD2 4.47Å; Q33-L271 HydrophobicContact CB-CD2 3.49Å; Q33-L271 VanDerWaalsContact CB-CD2 3.49Å; Q33-L271 HydrophobicContact CG-CD2 3.75Å; R267-L271 WeakPolarHBondContact O-CB 3.43Å; R267-L271 PolarHBondContact O-N 2.62Å; T268-L271 PolarHBondContact O-N 2.93Å; S269-L271 PolarHBondContact O-N 3.16Å; L271-R274 PolarHBondContact O-N 3.28Å; L271-L275 HydrophobicContact CD1-CD1 3.65Å; L271-L275 HydrophobicContact CD1-CG 3.97Å; L271-L275 HydrophobicContact CG-CD1 4.15Å; L271-L275 WeakPolarHBondContact O-CG 3.43Å; L271-L275 PolarHBondContact O-N 3.43Å
272V95.9Very high93.8Very high0 Ų052.9 Ų52.90%028%0.276CS..Hα-helixtrans-64.3-42.4179.2172.80000110.6T10 I30 I228 I231 T268 S269 R274 L275 S276T10-V272 HydrophobicContact CG2-CG1 3.86Å; T10-V272 HydrophobicContact CG2-CG2 4.1Å; I30-V272 HydrophobicContact CG1-CG2 4.49Å; I30-V272 HydrophobicContact CG2-CG2 4.28Å; I228-V272 HydrophobicContact CB-CB 4.21Å; I228-V272 HydrophobicContact CB-CG1 4.23Å; I228-V272 HydrophobicContact CB-CG2 3.88Å; I228-V272 HydrophobicContact CG1-CG2 4.16Å; I228-V272 HydrophobicContact CG2-CB 3.91Å; I228-V272 HydrophobicContact CG2-CG1 4.32Å; I228-V272 HydrophobicContact CG2-CG2 3.85Å; I231-V272 HydrophobicContact CD1-CG1 3.99Å; T268-V272 WeakPolarHBondContact O-CG2 3.4Å; T268-V272 PolarHBondContact O-N 3.41Å; T268-V272 VanDerWaalsContact O-N 3.08Å; S269-V272 PolarHBondContact O-N 2.94Å; V272-R274 PolarHBondContact O-N 3.38Å; V272-L275 PolarHBondContact O-N 3.41Å; V272-S276 WeakPolarHBondContact O-CB 3.29Å; V272-S276 PolarHBondContact O-N 2.8Å; V272-S276 PolarHBondContact O-OG 2.72Å
273S94.9Very high93.6Very high22 Ų2257.8 Ų57.815%0.15430%0.302CS..Hα-helixtrans-59.4-45.9176-178.70000112.1S269 S276 G277 I278S269-S273 WeakPolarHBondContact O-CB 3.44Å; S269-S273 PolarHBondContact O-N 2.86Å; S273-S276 PolarHBondContact O-OG 2.73Å; S273-G277 WeakPolarHBondContact O-CA 3.48Å; S273-G277 PolarHBondContact O-N 2.85Å; S273-I278 WeakPolarHBondContact CA-O 3.24Å; S273-I278 WeakPolarHBondContact CB-O 3.37Å; S273-I278 PolarHBondContact O-N 3.35Å; S273-I278 PolarHBondContact OG-O 3.32Å
274R93.5Very high93.6Very high176 Ų17654.4 Ų54.466%0.66428%0.283SS*.Hα-helixtrans-63.5-46.1178.9-172.1-172.7-52.8150.67.5112.7E270 L271 V272E270-R274 VanDerWaalsContact O-CB 3.23Å; E270-R274 WeakPolarHBondContact O-CB 3.46Å; E270-R274 PolarHBondContact O-N 3.02Å; L271-R274 PolarHBondContact O-N 3.28Å; V272-R274 PolarHBondContact O-N 3.38Å
275L90.1Very high93.5Very high35 Ų3555.1 Ų55.118%0.18329%0.294CS..Hα-helixtrans-78.8-30.2-176-64.6-175.5000112.9F22 E26 I30 L271 V272F22-L275 HydrophobicContact CD1-CB 4.24Å; F22-L275 HydrophobicContact CE1-CB 3.92Å; E26-L275 HydrophobicContact CB-CD1 4.1Å; E26-L275 HydrophobicContact CG-CD1 4.24Å; E26-L275 HydrophobicContact CG-CD2 4.09Å; I30-L275 HydrophobicContact CD1-CB 4.43Å; I30-L275 HydrophobicContact CD1-CD1 4.05Å; I30-L275 HydrophobicContact CG1-CD1 3.83Å; L271-L275 HydrophobicContact CD1-CD1 3.65Å; L271-L275 HydrophobicContact CD1-CG 3.97Å; L271-L275 HydrophobicContact CG-CD1 4.15Å; L271-L275 WeakPolarHBondContact O-CG 3.43Å; L271-L275 PolarHBondContact O-N 3.43Å; V272-L275 PolarHBondContact O-N 3.41Å
276S92.2Very high93.3Very high10 Ų1056 Ų567%0.0730%0.298CS..Hα-helixtrans-80.5-22.5175.563.40000112.7V272 S273 I278V272-S276 WeakPolarHBondContact O-CB 3.29Å; V272-S276 PolarHBondContact O-N 2.8Å; V272-S276 PolarHBondContact O-OG 2.72Å; S273-S276 PolarHBondContact O-OG 2.73Å; S276-I278 PolarHBondContact O-N 2.99Å; S276-I278 PolarHBondContact OG-N 3.07Å
277G88.3Confident93.3Very high61 Ų6155.2 Ų55.263%0.62930%0.295SS*.  trans754.3-17100000114S273 P279S273-G277 WeakPolarHBondContact O-CA 3.48Å; S273-G277 PolarHBondContact O-N 2.85Å; G277-P279 WeakPolarHBondContact O-CD 3.02Å
278I90.9Very high93.2Very high60 Ų6048.6 Ų48.631%0.30827%0.27SS..  trans-90.4114.7178.3-55.4-60.5000109.2T17 V20 S273 S276T17-I278 HydrophobicContact CG2-CD1 4.13Å; T17-I278 HydrophobicContact CG2-CG1 4.26Å; V20-I278 HydrophobicContact CG2-CD1 4.18Å; V20-I278 HydrophobicContact CG2-CG1 3.78Å; S273-I278 WeakPolarHBondContact CA-O 3.24Å; S273-I278 WeakPolarHBondContact CB-O 3.37Å; S273-I278 PolarHBondContact O-N 3.35Å; S273-I278 PolarHBondContact OG-O 3.32Å; S276-I278 PolarHBondContact O-N 2.99Å; S276-I278 PolarHBondContact OG-N 3.07Å
279P91.8Very high92.5Very high101 Ų10153.1 Ų53.166%0.65630%0.295SS*.PPolyproline II helixtrans-70.6142179.929.2-34.2000111.3G277 P281G277-P279 WeakPolarHBondContact O-CD 3.02Å; P279-P281 WeakPolarHBondContact O-CD 3.47Å
280V93.4Very high91.9Very high34 Ų3457.3 Ų57.321%0.20632%0.317CS..PPolyproline II helixtrans-73.5123.2171.6-178.60000108.9K282 K284 V287V280-K282 PolarHBondContact O-N 3.3Å; V280-K284 HydrophobicContact CG1-CB 4.12Å; V280-K284 HydrophobicContact CG1-CD 4.16Å; V280-V287 HydrophobicContact CG1-CG2 3.89Å
281P93.5Very high91.5Very high69 Ų6955.3 Ų55.345%0.44832%0.315SS..PPolyproline II helixtrans-57.6135.6173.8-23.833.4000111P279 N283 K284P279-P281 WeakPolarHBondContact O-CD 3.47Å; P281-N283 PolarHBondContact O-N 3.2Å; P281-N283 VanDerWaalsContact O-N 3.09Å; P281-K284 HydrophobicContact CB-CB 4.23Å; P281-K284 VanDerWaalsContact O-CB 3.26Å; P281-K284 WeakPolarHBondContact O-CB 3.46Å; P281-K284 PolarHBondContact O-N 3.34Å
282K88.5Confident90.9Very high115 Ų11555.6 Ų55.650%0.532%0.315SS..THydrogen-bonded Turntrans-56.3-32.4-177.3-67-172.8176-1740112.9V280 G288 D289 N290V280-K282 PolarHBondContact O-N 3.3Å; K282-G288 CarbonylContact O-C 3.52Å; K282-G288 VanDerWaalsContact O-CA 3.26Å; K282-G288 WeakPolarHBondContact O-CA 3.49Å; K282-D289 PolarHBondContact O-N 3.35Å; K282-D289 VanDerWaalsContact O-N 3.11Å; K282-N290 WeakPolarHBondContact O-CA 3.47Å; K282-N290 VanDerWaalsContact O-CB 3.31Å; K282-N290 WeakPolarHBondContact O-CB 3.37Å; K282-N290 PolarHBondContact O-N 3.47Å
283N91.9Very high90.1Very high132 Ų13256.8 Ų56.871%0.70633%0.326SS*.THydrogen-bonded Turntrans-96.612179.364.5-35.4000113.8P281P281-N283 PolarHBondContact O-N 3.2Å; P281-N283 VanDerWaalsContact O-N 3.09Å
284K94.7Very high89.4Confident28 Ų2857 Ų5712%0.12232%0.324CS..  trans-63.1137.2173.9178.3159.2163.269.10109.8N229 E241 E242 V280 P281 I286 V287 G288N229-K284 WeakPolarHBondContact O-CE 3.42Å; N229-K284 PolarHBondContact O-NZ 3.39Å; E241-K284 WeakPolarHBondContact OE1-CE 3.32Å; E241-K284 IonicContact OE1-NZ 2.69Å; E241-K284 PolarHBondContact OE1-NZ 3.11Å; E242-K284 IonicContact OE1-NZ 3.68Å; E242-K284 PolarHBondContact OE1-NZ 3.19Å; V280-K284 HydrophobicContact CG1-CB 4.12Å; V280-K284 HydrophobicContact CG1-CD 4.16Å; P281-K284 HydrophobicContact CB-CB 4.23Å; P281-K284 VanDerWaalsContact O-CB 3.26Å; P281-K284 WeakPolarHBondContact O-CB 3.46Å; P281-K284 PolarHBondContact O-N 3.34Å; K284-I286 PolarHBondContact O-N 2.76Å; K284-V287 HydrophobicContact CD-CG2 4.1Å; K284-V287 HydrophobicContact CG-CG2 4.06Å; K284-G288 VanDerWaalsContact O-CA 3.31Å; K284-G288 WeakPolarHBondContact O-CA 3.49Å; K284-G288 PolarHBondContact O-N 3.46Å
285A94.3Very high88.3Confident48 Ų4853.3 Ų53.340%0.39731%0.314SS..THydrogen-bonded Turntrans-54.9140.8176.800000110.5E242 V287E242-A285 HydrophobicContact CG-CB 4.11Å; A285-V287 PolarHBondContact O-N 2.82Å
286I93.6Very high87.8Confident23 Ų2353.6 Ų53.612%0.11832%0.319CS..THydrogen-bonded Turntrans70.1-52.2174.7-46.1-31000115.3E242 L245 T265 K284 Y292 I313 V318E242-I286 HydrophobicContact CG-CG1 4.32Å; L245-I286 HydrophobicContact CB-CD1 4.37Å; L245-I286 HydrophobicContact CB-CG1 4.19Å; L245-I286 HydrophobicContact CB-CG2 4.42Å; L245-I286 HydrophobicContact CD2-CB 4.13Å; L245-I286 HydrophobicContact CD2-CD1 3.55Å; L245-I286 HydrophobicContact CD2-CG1 3.79Å; L245-I286 HydrophobicContact CD2-CG2 3.41Å; L245-I286 VanDerWaalsContact CD2-CG2 3.41Å; L245-I286 HydrophobicContact CG-CD1 4.45Å; T265-I286 HydrophobicContact CG2-CG2 4.32Å; K284-I286 PolarHBondContact O-N 2.76Å; I286-Y292 WeakPolarHBondContact O-CE2 3.09Å; I286-Y292 VanDerWaalsContact O-CZ 3.27Å; I286-Y292 PolarHBondContact O-OH 2.87Å; I286-I313 HydrophobicContact CD1-CD1 3.76Å; I286-V318 HydrophobicContact CG2-CG1 3.92Å
287V93.6Very high86.8Confident1 Ų154.1 Ų54.11%0.00633%0.327CS..THydrogen-bonded Turntrans-108-7.9-169.9-65.80000113.6E241 T265 K266 S269 V280 K284 A285E241-V287 HydrophobicContact CB-CG1 4.44Å; E241-V287 HydrophobicContact CG-CG1 4.04Å; E241-V287 HydrophobicContact CG-CG2 4.28Å; T265-V287 HydrophobicContact CG2-CG1 3.97Å; K266-V287 PolarHBondContact NZ-O 3.45Å; S269-V287 WeakPolarHBondContact OG-CB 3.39Å; V280-V287 HydrophobicContact CG1-CG2 3.89Å; K284-V287 HydrophobicContact CD-CG2 4.1Å; K284-V287 HydrophobicContact CG-CG2 4.06Å; A285-V287 PolarHBondContact O-N 2.82Å
288G91.6Very high86.5Confident1 Ų157 Ų571%0.0133%0.327CS..SBendtrans-70.9142174.900000112.2K282 K284 N290 A291K282-G288 CarbonylContact O-C 3.52Å; K282-G288 VanDerWaalsContact O-CA 3.26Å; K282-G288 WeakPolarHBondContact O-CA 3.49Å; K284-G288 VanDerWaalsContact O-CA 3.31Å; K284-G288 WeakPolarHBondContact O-CA 3.49Å; K284-G288 PolarHBondContact O-N 3.46Å; G288-N290 PolarHBondContact O-N 2.98Å; G288-A291 WeakPolarHBondContact O-CB 3.48Å; G288-A291 PolarHBondContact O-N 2.96Å
289D83.7Confident86.1Confident97 Ų9757.7 Ų57.752%0.51933%0.328SS..THydrogen-bonded Turntrans-62.3-26.3-176.8-60.1-22.8000113.5K266 K282K266-D289 IonicContact NZ-OD1 3.46Å; K266-D289 PolarHBondContact NZ-OD1 3.03Å; K282-D289 PolarHBondContact O-N 3.35Å; K282-D289 VanDerWaalsContact O-N 3.11Å
290N85.9Confident85.5Confident88 Ų8853 Ų5347%0.47130%0.297SS..THydrogen-bonded Turntrans-87.6-4.3176-63.9-8.3000113.1K282 G288 Y292 A293K282-N290 WeakPolarHBondContact O-CA 3.47Å; K282-N290 VanDerWaalsContact O-CB 3.31Å; K282-N290 WeakPolarHBondContact O-CB 3.37Å; K282-N290 PolarHBondContact O-N 3.47Å; G288-N290 PolarHBondContact O-N 2.98Å; N290-Y292 PolarHBondContact O-N 3.43Å; N290-Y292 VanDerWaalsContact O-N 3.09Å; N290-A293 PolarHBondContact O-N 3.31Å
291A85.2Confident84.8Confident46 Ų4653.9 Ų53.938%0.3830%0.301SS..THydrogen-bonded Turntrans-61.9-19.9-177.400000113G288G288-A291 WeakPolarHBondContact O-CB 3.48Å; G288-A291 PolarHBondContact O-N 2.96Å
292Y82.7Confident84.4Confident20 Ų2051.1 Ų51.18%0.07829%0.285CS..THydrogen-bonded Turntrans-123.911.8-177.7-49.7-72.9000112.9I286 N290 I313 P315 V318 V320I286-Y292 WeakPolarHBondContact O-CE2 3.09Å; I286-Y292 VanDerWaalsContact O-CZ 3.27Å; I286-Y292 PolarHBondContact O-OH 2.87Å; N290-Y292 PolarHBondContact O-N 3.43Å; N290-Y292 VanDerWaalsContact O-N 3.09Å; Y292-I313 HydrophobicContact CE1-CB 4.04Å; Y292-I313 HydrophobicContact CE1-CG2 3.63Å; Y292-P315 HydrophobicContact CD1-CB 4.46Å; Y292-P315 HydrophobicContact CD1-CG 3.71Å; Y292-P315 HydrophobicContact CD2-CB 4.38Å; Y292-P315 HydrophobicContact CD2-CG 4.24Å; Y292-P315 HydrophobicContact CE1-CG 4.47Å; Y292-P315 HydrophobicContact CG-CB 4.19Å; Y292-P315 HydrophobicContact CG-CG 3.58Å; Y292-V318 HydrophobicContact CE2-CG2 4.05Å; Y292-V318 WeakPolarHBondContact OH-CG2 3.43Å; Y292-V320 HydrophobicContact CE2-CG2 4.4Å
293A78.5Confident84.1Confident26 Ų2646.2 Ų46.222%0.21527%0.265CS..  trans-99.2134.1-17700000110.9N290 P326N290-A293 PolarHBondContact O-N 3.31Å; A293-P326 HydrophobicContact CB-CG 3.96Å
294H79Confident83.6Confident27 Ų2743.9 Ų43.913%0.12525%0.252CS..  trans-118.3111.5177.4-53.3-81.1000109.7H299 Q300 E311H294-H299 HydrophobicContact CB-CB 4.08Å; H294-Q300 HydrophobicContact CB-CG 4.06Å; H294-Q300 VanDerWaalsContact O-CD 3.3Å; H294-Q300 WeakPolarHBondContact O-CG 3.19Å; H294-Q300 PolarHBondContact O-NE2 3.24Å; H294-E311 IonicContact CD2-OE1 3.15Å; H294-E311 WeakPolarHBondContact NE2-CG 3.27Å; H294-E311 IonicContact NE2-OE1 3.02Å; H294-E311 PolarHBondContact NE2-OE1 2.56Å
295E72.3Confident83.1Confident97 Ų9749.9 Ų49.945%0.45328%0.278SS..  trans-91.2-32.3178-164.9-170164.200112.5G297 L330E295-G297 PolarHBondContact O-N 3.01Å; E295-L330 HydrophobicContact CG-CB 4.4Å
296S78.1Confident82.7Confident41 Ų4151 Ų5129%0.28728%0.277SS..SBendtrans-64.5122.2179172.40000110.3I298 H299 Q300S296-I298 PolarHBondContact O-N 3.23Å; S296-I298 VanDerWaalsContact O-N 3.08Å; S296-I298 PolarHBondContact OG-N 3.34Å; S296-H299 WeakPolarHBondContact O-CA 3.43Å; S296-H299 PolarHBondContact O-N 3.17Å; S296-Q300 WeakPolarHBondContact O-CG 3.17Å; S296-Q300 PolarHBondContact O-N 3.46Å
297G72.6Confident82.1Confident22 Ų2252.7 Ų52.723%0.22729%0.29CS..Hα-helixtrans-55.4-28.2176.600000114.1E295 D301 L330E295-G297 PolarHBondContact O-N 3.01Å; G297-D301 WeakPolarHBondContact O-CB 3.43Å; G297-D301 PolarHBondContact O-N 2.76Å; G297-L330 PolarHBondContact N-O 2.75Å
298I81.2Confident81.7Confident122 Ų12260.1 Ų60.163%0.62632%0.324SS*.Hα-helixtrans-70.2-39.6174.9-61.5172.1000110.9S296 G302S296-I298 PolarHBondContact O-N 3.23Å; S296-I298 VanDerWaalsContact O-N 3.08Å; S296-I298 PolarHBondContact OG-N 3.34Å; I298-G302 PolarHBondContact O-N 2.92Å; I298-G302 VanDerWaalsContact O-N 3.12Å
299H83.3Confident81.5Confident73 Ų7363.5 Ų63.534%0.33835%0.345SS..Hα-helixtrans-73.1-42.5178-68.2-161.3000110.6H294 S296 D301 G302 V303 Y310H294-H299 HydrophobicContact CB-CB 4.08Å; S296-H299 WeakPolarHBondContact O-CA 3.43Å; S296-H299 PolarHBondContact O-N 3.17Å; H299-D301 PolarHBondContact O-N 3.25Å; H299-G302 PolarHBondContact O-N 2.66Å; H299-G302 VanDerWaalsContact O-N 3.13Å; H299-V303 WeakPolarHBondContact O-CG2 3.48Å; H299-V303 PolarHBondContact O-N 2.98Å; H299-Y310 HydrophobicContact CB-CD2 4.17Å; H299-Y310 HydrophobicContact CB-CE1 4.5Å; H299-Y310 HydrophobicContact CB-CE2 4.16Å; H299-Y310 HydrophobicContact CB-CG 4.35Å; H299-Y310 AromaticContact CD2-CE1 3.4Å; H299-Y310 VanDerWaalsContact CD2-CE1 3.4Å; H299-Y310 WeakPolarHBondContact CD2-CE1 3.23Å; H299-Y310 AromaticContact CD2-CZ 3.41Å; H299-Y310 VanDerWaalsContact CD2-CZ 3.41Å; H299-Y310 PolarHBondContact CD2-OH 3.2Å; H299-Y310 AromaticContact CE1-CD1 3.95Å; H299-Y310 AromaticContact CE1-CE1 3.71Å; H299-Y310 AromaticContact CG-CD1 3.93Å; H299-Y310 AromaticContact CG-CE1 3.71Å; H299-Y310 AromaticContact CG-CZ 3.84Å; H299-Y310 AromaticContact ND1-CD1 3.83Å; H299-Y310 AromaticContact ND1-CE1 3.88Å; H299-Y310 AromaticContact NE2-CE1 3.45Å; H299-Y310 WeakPolarHBondContact NE2-CE1 3.49Å; H299-Y310 AromaticContact NE2-CZ 3.91Å
300Q78.7Confident81.6Confident2 Ų263.7 Ų63.71%0.00934%0.339CS..Hα-helixtrans-56.7-48.1174.8-68.6178.4-3000111.2H294 S296 G302 V303 L304 L325 P326 A335H294-Q300 HydrophobicContact CB-CG 4.06Å; H294-Q300 VanDerWaalsContact O-CD 3.3Å; H294-Q300 WeakPolarHBondContact O-CG 3.19Å; H294-Q300 PolarHBondContact O-NE2 3.24Å; S296-Q300 WeakPolarHBondContact O-CG 3.17Å; S296-Q300 PolarHBondContact O-N 3.46Å; Q300-G302 VanDerWaalsContact C-N 3.32Å; Q300-G302 PolarHBondContact O-N 3.1Å; Q300-V303 PolarHBondContact O-N 2.84Å; Q300-L304 VanDerWaalsContact O-CB 3.31Å; Q300-L304 WeakPolarHBondContact O-CB 3.21Å; Q300-L304 WeakPolarHBondContact O-CG 3.45Å; Q300-L304 PolarHBondContact O-N 2.9Å; Q300-L325 HydrophobicContact CG-CD2 4.1Å; Q300-P326 PolarHBondContact NE2-O 3.13Å; Q300-P326 VanDerWaalsContact NE2-O 3.17Å; Q300-A335 HydrophobicContact CB-CB 4.1Å; Q300-A335 HydrophobicContact CG-CB 4.33Å
301D78.1Confident81.6Confident54 Ų5460.3 Ų60.329%0.28932%0.321SS..Hα-helixtrans-60.5-40175.7176.672.5000112.5G297 H299 K305G297-D301 WeakPolarHBondContact O-CB 3.43Å; G297-D301 PolarHBondContact O-N 2.76Å; H299-D301 PolarHBondContact O-N 3.25Å; D301-K305 VanDerWaalsContact CG-NZ 3.25Å; D301-K305 WeakPolarHBondContact O-CD 3.28Å; D301-K305 VanDerWaalsContact O-CG 3.29Å; D301-K305 WeakPolarHBondContact O-CG 3.48Å; D301-K305 PolarHBondContact O-N 3.08Å; D301-K305 VanDerWaalsContact O-N 3.15Å; D301-K305 WeakPolarHBondContact OD1-CE 3.4Å; D301-K305 IonicContact OD1-NZ 3.63Å; D301-K305 PolarHBondContact OD1-NZ 3.26Å; D301-K305 VanDerWaalsContact OD1-NZ 3.1Å; D301-K305 WeakPolarHBondContact OD2-CE 3.23Å; D301-K305 IonicContact OD2-NZ 3.37Å; D301-K305 PolarHBondContact OD2-NZ 2.89Å
302G84.7Confident81.7Confident11 Ų1164.5 Ų64.511%0.11334%0.335CS..Hα-helixtrans-62.2-50.3174.500000112.9I298 H299 Q300 L304 K305 N306 T309I298-G302 PolarHBondContact O-N 2.92Å; I298-G302 VanDerWaalsContact O-N 3.12Å; H299-G302 PolarHBondContact O-N 2.66Å; H299-G302 VanDerWaalsContact O-N 3.13Å; Q300-G302 VanDerWaalsContact C-N 3.32Å; Q300-G302 PolarHBondContact O-N 3.1Å; G302-L304 PolarHBondContact O-N 3.46Å; G302-K305 PolarHBondContact O-N 3.01Å; G302-K305 VanDerWaalsContact O-N 3.16Å; G302-N306 CarbonylContact O-C 3.5Å; G302-N306 PolarHBondContact O-N 2.96Å; G302-T309 PolarHBondContact O-OG1 2.79Å; G302-T309 VanDerWaalsContact O-OG1 3.1Å
303V83.4Confident81.9Confident11 Ų1164.5 Ų64.57%0.06734%0.336CS..Hα-helixtrans-64.4-40.9-179.5170.80000111.5H299 Q300 K305 N306 P307 T309 Y310 E311H299-V303 WeakPolarHBondContact O-CG2 3.48Å; H299-V303 PolarHBondContact O-N 2.98Å; Q300-V303 PolarHBondContact O-N 2.84Å; V303-K305 VanDerWaalsContact C-N 3.26Å; V303-K305 PolarHBondContact O-N 3.44Å; V303-N306 CarbonylContact O-C 3.49Å; V303-N306 VanDerWaalsContact O-C 3.29Å; V303-N306 PolarHBondContact O-N 3.48Å; V303-P307 HydrophobicContact CG1-CB 4.47Å; V303-P307 VanDerWaalsContact O-CD 3.3Å; V303-P307 WeakPolarHBondContact O-CD 3.45Å; V303-P307 VanDerWaalsContact O-N 3.12Å; V303-T309 PolarHBondContact N-OG1 3.48Å; V303-Y310 HydrophobicContact CG2-CD2 4.04Å; V303-Y310 HydrophobicContact CG2-CG 4.44Å; V303-E311 WeakPolarHBondContact CG1-OE1 3.35Å; V303-E311 HydrophobicContact CG2-CG 4.37Å
304L80.3Confident82.2Confident83 Ų8366.4 Ų66.444%0.43535%0.345SS..Hα-helixtrans-63.2-31.4175.5-72.3170000112.4Q300 G302 L325 A338Q300-L304 VanDerWaalsContact O-CB 3.31Å; Q300-L304 WeakPolarHBondContact O-CB 3.21Å; Q300-L304 WeakPolarHBondContact O-CG 3.45Å; Q300-L304 PolarHBondContact O-N 2.9Å; G302-L304 PolarHBondContact O-N 3.46Å; L304-L325 HydrophobicContact CD2-CD1 4.06Å; L304-L325 HydrophobicContact CG-CD1 4.48Å; L304-A338 HydrophobicContact CD2-CB 4.47Å
305K85.4Confident82.4Confident155 Ų15565.2 Ų65.267%0.67434%0.34SS*.Hα-helixtrans-79.8-44.6175.3-74.3168.7-178.5165.10112.7D301 G302 V303D301-K305 VanDerWaalsContact CG-NZ 3.25Å; D301-K305 WeakPolarHBondContact O-CD 3.28Å; D301-K305 VanDerWaalsContact O-CG 3.29Å; D301-K305 WeakPolarHBondContact O-CG 3.48Å; D301-K305 PolarHBondContact O-N 3.08Å; D301-K305 VanDerWaalsContact O-N 3.15Å; D301-K305 WeakPolarHBondContact OD1-CE 3.4Å; D301-K305 IonicContact OD1-NZ 3.63Å; D301-K305 PolarHBondContact OD1-NZ 3.26Å; D301-K305 VanDerWaalsContact OD1-NZ 3.1Å; D301-K305 WeakPolarHBondContact OD2-CE 3.23Å; D301-K305 IonicContact OD2-NZ 3.37Å; D301-K305 PolarHBondContact OD2-NZ 2.89Å; G302-K305 PolarHBondContact O-N 3.01Å; G302-K305 VanDerWaalsContact O-N 3.16Å; V303-K305 VanDerWaalsContact C-N 3.26Å; V303-K305 PolarHBondContact O-N 3.44Å
306N84.2Confident83Confident70 Ų7064.8 Ų64.837%0.37434%0.344SS..  trans-158114173.5-178.5-5.5000109G302 V303 E308 T309G302-N306 CarbonylContact O-C 3.5Å; G302-N306 PolarHBondContact O-N 2.96Å; V303-N306 CarbonylContact O-C 3.49Å; V303-N306 VanDerWaalsContact O-C 3.29Å; V303-N306 PolarHBondContact O-N 3.48Å; N306-E308 PolarHBondContact O-N 3.5Å; N306-E308 VanDerWaalsContact O-N 3.13Å; N306-E308 PolarHBondContact OD1-N 3.48Å; N306-E308 VanDerWaalsContact OD1-N 3.12Å; N306-T309 HydrophobicContact CB-CG2 4.19Å; N306-T309 WeakPolarHBondContact O-CB 3.33Å; N306-T309 VanDerWaalsContact O-CG2 3.3Å; N306-T309 WeakPolarHBondContact O-CG2 3.23Å; N306-T309 PolarHBondContact O-N 3.39Å; N306-T309 PolarHBondContact O-OG1 3.38Å
307P82.4Confident83.6Confident60 Ų6065.7 Ų65.739%0.3935%0.346SS..G310 helixtrans-52.7-35.2-179.9-29.436.2000114.3V303 T309 Y310 E311V303-P307 HydrophobicContact CG1-CB 4.47Å; V303-P307 VanDerWaalsContact O-CD 3.3Å; V303-P307 WeakPolarHBondContact O-CD 3.45Å; V303-P307 VanDerWaalsContact O-N 3.12Å; P307-T309 PolarHBondContact O-N 2.88Å; P307-Y310 PolarHBondContact O-N 3.02Å; P307-E311 VanDerWaalsContact O-CB 3.3Å; P307-E311 WeakPolarHBondContact O-CB 3.45Å; P307-E311 PolarHBondContact O-N 3.3Å
308E84.8Confident84.5Confident156 Ų15664.7 Ų64.773%0.72934%0.335SS*.G310 helixtrans-61.3-12.8-179.2-63.4-176.9163.800114N306 Y310N306-E308 PolarHBondContact O-N 3.5Å; N306-E308 VanDerWaalsContact O-N 3.13Å; N306-E308 PolarHBondContact OD1-N 3.48Å; N306-E308 VanDerWaalsContact OD1-N 3.12Å; E308-Y310 VanDerWaalsContact C-N 3.28Å; E308-Y310 PolarHBondContact O-N 3.2Å
309T86.4Confident84.7Confident73 Ų7359.8 Ų59.845%0.44832%0.315SS..G310 helixtrans-63.8-32.6176.2540000113.1G302 V303 N306 P307G302-T309 PolarHBondContact O-OG1 2.79Å; G302-T309 VanDerWaalsContact O-OG1 3.1Å; V303-T309 PolarHBondContact N-OG1 3.48Å; N306-T309 HydrophobicContact CB-CG2 4.19Å; N306-T309 WeakPolarHBondContact O-CB 3.33Å; N306-T309 VanDerWaalsContact O-CG2 3.3Å; N306-T309 WeakPolarHBondContact O-CG2 3.23Å; N306-T309 PolarHBondContact O-N 3.39Å; N306-T309 PolarHBondContact O-OG1 3.38Å; P307-T309 PolarHBondContact O-N 2.88Å
310Y86Confident84.6Confident100 Ų10057.8 Ų57.839%0.39231%0.307SS..THydrogen-bonded Turntrans-135.5-10.2179.6-64.2-80.7000113.7H299 V303 P307 E308H299-Y310 HydrophobicContact CB-CD2 4.17Å; H299-Y310 HydrophobicContact CB-CE1 4.5Å; H299-Y310 HydrophobicContact CB-CE2 4.16Å; H299-Y310 HydrophobicContact CB-CG 4.35Å; H299-Y310 AromaticContact CD2-CE1 3.4Å; H299-Y310 VanDerWaalsContact CD2-CE1 3.4Å; H299-Y310 WeakPolarHBondContact CD2-CE1 3.23Å; H299-Y310 AromaticContact CD2-CZ 3.41Å; H299-Y310 VanDerWaalsContact CD2-CZ 3.41Å; H299-Y310 PolarHBondContact CD2-OH 3.2Å; H299-Y310 AromaticContact CE1-CD1 3.95Å; H299-Y310 AromaticContact CE1-CE1 3.71Å; H299-Y310 AromaticContact CG-CD1 3.93Å; H299-Y310 AromaticContact CG-CE1 3.71Å; H299-Y310 AromaticContact CG-CZ 3.84Å; H299-Y310 AromaticContact ND1-CD1 3.83Å; H299-Y310 AromaticContact ND1-CE1 3.88Å; H299-Y310 AromaticContact NE2-CE1 3.45Å; H299-Y310 WeakPolarHBondContact NE2-CE1 3.49Å; H299-Y310 AromaticContact NE2-CZ 3.91Å; V303-Y310 HydrophobicContact CG2-CD2 4.04Å; V303-Y310 HydrophobicContact CG2-CG 4.44Å; P307-Y310 PolarHBondContact O-N 3.02Å; E308-Y310 VanDerWaalsContact C-N 3.28Å; E308-Y310 PolarHBondContact O-N 3.2Å
311E85.7Confident84Confident18 Ų1865 Ų658%0.08435%0.346CS..  trans-108.499.4-179.4-59.4-177.4176.600110.7H294 V303 P307 I313 N323H294-E311 IonicContact CD2-OE1 3.15Å; H294-E311 WeakPolarHBondContact NE2-CG 3.27Å; H294-E311 IonicContact NE2-OE1 3.02Å; H294-E311 PolarHBondContact NE2-OE1 2.56Å; V303-E311 WeakPolarHBondContact CG1-OE1 3.35Å; V303-E311 HydrophobicContact CG2-CG 4.37Å; P307-E311 VanDerWaalsContact O-CB 3.3Å; P307-E311 WeakPolarHBondContact O-CB 3.45Å; P307-E311 PolarHBondContact O-N 3.3Å; E311-I313 VanDerWaalsContact C-N 3.25Å; E311-N323 PolarHBondContact OE1-ND2 3.25Å; E311-N323 PolarHBondContact OE2-ND2 2.85Å
312I87.9Confident83.1Confident133 Ų13369.7 Ų69.768%0.68237%0.366SS*.SBendtrans-78.9-12.1169.459.3164.6000112.7I249I249-I312 WeakPolarHBondContact CD1-O 3.46Å
313I87.4Confident81.8Confident21 Ų2172.4 Ų72.411%0.10838%0.378CS..SBendtrans-133.8124.4-179.9-63.3151.1000106.2L245 I249 I286 Y292 E311 L317 V318L245-I313 HydrophobicContact CD2-CB 4.42Å; L245-I313 HydrophobicContact CD2-CD1 3.47Å; L245-I313 VanDerWaalsContact CD2-CD1 3.47Å; L245-I313 HydrophobicContact CD2-CG1 3.77Å; L245-I313 HydrophobicContact CD2-CG2 3.76Å; L245-I313 HydrophobicContact CG-CD1 4.24Å; L245-I313 HydrophobicContact CG-CG1 4.3Å; I249-I313 HydrophobicContact CD1-CG1 3.9Å; I249-I313 HydrophobicContact CG1-CG1 3.83Å; I286-I313 HydrophobicContact CD1-CD1 3.76Å; Y292-I313 HydrophobicContact CE1-CB 4.04Å; Y292-I313 HydrophobicContact CE1-CG2 3.63Å; E311-I313 VanDerWaalsContact C-N 3.25Å; I313-L317 HydrophobicContact CG2-CD2 4.38Å; I313-V318 HydrophobicContact CG2-CG1 4.05Å
314T83.9Confident80.7Confident66 Ų6675.2 Ų75.241%0.40540%0.398SS..  trans-80.2142.6171.465.20000109.8T316 L317T314-T316 PolarHBondContact O-N 3.25Å; T314-T316 PolarHBondContact OG1-OG1 3.15Å; T314-T316 VanDerWaalsContact OG1-OG1 3.13Å; T314-L317 WeakPolarHBondContact O-CB 3.18Å; T314-L317 PolarHBondContact O-N 3.49Å; T314-L317 WeakPolarHBondContact OG1-CB 2.9Å; T314-L317 PolarHBondContact OG1-N 3.41Å
315P83.5Confident80.1Confident2 Ų272.7 Ų72.71%0.01339%0.385CS..G310 helixtrans-58-35.1179.1-31.942.9000112.8Y292 L317 V318 G319 V320 N323Y292-P315 HydrophobicContact CD1-CB 4.46Å; Y292-P315 HydrophobicContact CD1-CG 3.71Å; Y292-P315 HydrophobicContact CD2-CB 4.38Å; Y292-P315 HydrophobicContact CD2-CG 4.24Å; Y292-P315 HydrophobicContact CE1-CG 4.47Å; Y292-P315 HydrophobicContact CG-CB 4.19Å; Y292-P315 HydrophobicContact CG-CG 3.58Å; P315-L317 VanDerWaalsContact C-N 3.26Å; P315-L317 PolarHBondContact O-N 2.9Å; P315-V318 WeakPolarHBondContact O-CG2 3.09Å; P315-V318 PolarHBondContact O-N 2.88Å; P315-G319 PolarHBondContact O-N 3.17Å; P315-V320 CarbonylContact C-O 3.57Å; P315-V320 HydrophobicContact CB-CB 3.73Å; P315-V320 HydrophobicContact CB-CG1 3.91Å; P315-V320 WeakPolarHBondContact O-CB 3.47Å; P315-V320 PolarHBondContact O-N 2.98Å; P315-N323 VanDerWaalsContact CD-OD1 3.27Å; P315-N323 WeakPolarHBondContact CD-OD1 3.48Å; P315-N323 WeakPolarHBondContact CG-OD1 3.42Å
316T85.8Confident79.4Confident88 Ų8867.3 Ų67.354%0.5437%0.366SS..G310 helixtrans-63.2-28175.552.50000113.6T314 V318 G319 V320T314-T316 PolarHBondContact O-N 3.25Å; T314-T316 PolarHBondContact OG1-OG1 3.15Å; T314-T316 VanDerWaalsContact OG1-OG1 3.13Å; T316-V318 PolarHBondContact O-N 3.28Å; T316-G319 PolarHBondContact O-N 3.01Å; T316-V320 PolarHBondContact N-O 3.29Å
317L90.5Very high79.1Confident60 Ų6064.4 Ų64.431%0.31435%0.35SS..G310 helixtrans-62.6-32.7178.2-176.561.2000111.6L245 I249 L262 N263 I313 T314 P315L245-L317 HydrophobicContact CD1-CD2 4.14Å; I249-L317 HydrophobicContact CD1-CD2 3.86Å; L262-L317 CarbonylContact C-O 3.59Å; L262-L317 HydrophobicContact CB-CD1 4.38Å; L262-L317 HydrophobicContact CB-CG 4.42Å; L262-L317 VanDerWaalsContact CB-O 3.29Å; L262-L317 WeakPolarHBondContact CB-O 3.34Å; L262-L317 HydrophobicContact CD1-CD1 3.86Å; L262-L317 HydrophobicContact CD1-CD2 4.31Å; L262-L317 HydrophobicContact CD1-CG 4.05Å; N263-L317 WeakPolarHBondContact CA-O 3.28Å; N263-L317 PolarHBondContact N-O 2.92Å; N263-L317 VanDerWaalsContact N-O 3.14Å; I313-L317 HydrophobicContact CG2-CD2 4.38Å; T314-L317 WeakPolarHBondContact O-CB 3.18Å; T314-L317 PolarHBondContact O-N 3.49Å; T314-L317 WeakPolarHBondContact OG1-CB 2.9Å; T314-L317 PolarHBondContact OG1-N 3.41Å; P315-L317 VanDerWaalsContact C-N 3.26Å; P315-L317 PolarHBondContact O-N 2.9Å
318V90.8Very high79Confident0 Ų061.7 Ų61.70%033%0.333CS..G310 helixtrans-103.23.3-176.8-600000113.8L245 L262 K266 I286 Y292 I313 P315 T316 V320L245-V318 HydrophobicContact CD1-CG1 4.03Å; L245-V318 HydrophobicContact CD2-CG1 3.7Å; L262-V318 CarbonylContact O-C 3.57Å; L262-V318 VanDerWaalsContact O-CA 3.32Å; L262-V318 WeakPolarHBondContact O-CA 3.46Å; K266-V318 VanDerWaalsContact CB-O 3.3Å; K266-V318 WeakPolarHBondContact CB-O 3.14Å; K266-V318 PolarHBondContact N-O 2.77Å; I286-V318 HydrophobicContact CG2-CG1 3.92Å; Y292-V318 HydrophobicContact CE2-CG2 4.05Å; Y292-V318 WeakPolarHBondContact OH-CG2 3.43Å; I313-V318 HydrophobicContact CG2-CG1 4.05Å; P315-V318 WeakPolarHBondContact O-CG2 3.09Å; P315-V318 PolarHBondContact O-N 2.88Å; T316-V318 PolarHBondContact O-N 3.28Å; V318-V320 HydrophobicContact CG2-CG2 4Å
319G86.7Confident78.7Confident20 Ų2059.7 Ų59.721%0.20632%0.322CS..THydrogen-bonded Turntrans89.224.1179.400000116.1N263 P315 T316N263-G319 VanDerWaalsContact O-CA 3.3Å; N263-G319 WeakPolarHBondContact O-CA 3.46Å; N263-G319 WeakPolarHBondContact OD1-CA 3.3Å; P315-G319 PolarHBondContact O-N 3.17Å; T316-G319 PolarHBondContact O-N 3.01Å
320V81Confident78.4Confident30 Ų3061.3 Ų61.318%0.18233%0.328CS..  trans-92.7121.7170.3178.30000108.9K266 Y292 P315 T316 V318 Q322K266-V320 HydrophobicContact CB-CG2 4.17Å; K266-V320 HydrophobicContact CD-CG2 4.08Å; K266-V320 HydrophobicContact CG-CG2 3.92Å; Y292-V320 HydrophobicContact CE2-CG2 4.4Å; P315-V320 CarbonylContact C-O 3.57Å; P315-V320 HydrophobicContact CB-CB 3.73Å; P315-V320 HydrophobicContact CB-CG1 3.91Å; P315-V320 WeakPolarHBondContact O-CB 3.47Å; P315-V320 PolarHBondContact O-N 2.98Å; T316-V320 PolarHBondContact N-O 3.29Å; V318-V320 HydrophobicContact CG2-CG2 4Å; V320-Q322 WeakPolarHBondContact CG1-O 3.47Å; V320-Q322 PolarHBondContact O-N 3.17Å
321N65.9Low78.1Confident153 Ų15356.6 Ų56.682%0.81831%0.309SS*.  trans-76-15.5-170-73-33.8000115
322Q58.4Low78Confident153 Ų15357 Ų5772%0.71532%0.318SS*.SBendtrans-149.6141-177.1-68.8-178.4-12.600111.9V320 S324V320-Q322 WeakPolarHBondContact CG1-O 3.47Å; V320-Q322 PolarHBondContact O-N 3.17Å; Q322-S324 PolarHBondContact O-N 3.12Å
323N58.2Low77.8Confident69 Ų6954 Ų5437%0.36930%0.298SS..  trans-71.9120.7165.5-73.825.6000107.9E311 P315E311-N323 PolarHBondContact OE1-ND2 3.25Å; E311-N323 PolarHBondContact OE2-ND2 2.85Å; P315-N323 VanDerWaalsContact CD-OD1 3.27Å; P315-N323 WeakPolarHBondContact CD-OD1 3.48Å; P315-N323 WeakPolarHBondContact CG-OD1 3.42Å
324S59Low77.5Confident69 Ų6959.2 Ų59.248%0.48332%0.321SS..  trans-82.9119.6169.3114.10000107.9Q322 P326Q322-S324 PolarHBondContact O-N 3.12Å; S324-P326 VanDerWaalsContact C-CD 3.42Å; S324-P326 WeakPolarHBondContact O-CD 3.31Å
325L67.8Low77.4Confident31 Ų3156.1 Ų56.116%0.16230%0.303CS..  trans-102.579.3172.6-142.1139.6000108Q300 L304 L327 A335Q300-L325 HydrophobicContact CG-CD2 4.1Å; L304-L325 HydrophobicContact CD2-CD1 4.06Å; L304-L325 HydrophobicContact CG-CD1 4.48Å; L325-L327 PolarHBondContact O-N 3.01Å; L325-A335 HydrophobicContact CD2-CB 3.73Å
326P70.8Confident77.6Confident42 Ų4256.1 Ų56.127%0.27330%0.302SS..  trans-65.7135.3-174.428.4-34.8000109.8A293 Q300 S324A293-P326 HydrophobicContact CB-CG 3.96Å; Q300-P326 PolarHBondContact NE2-O 3.13Å; Q300-P326 VanDerWaalsContact NE2-O 3.17Å; S324-P326 VanDerWaalsContact C-CD 3.42Å; S324-P326 WeakPolarHBondContact O-CD 3.31Å
327L78.7Confident77.6Confident9 Ų953.7 Ų53.75%0.04729%0.286CS..BIsolated β-bridgetrans-95.7135.8172.9-65-174.6000110.5L325 S331 A335 F336 K339 F359 I369 L374L325-L327 PolarHBondContact O-N 3.01Å; L327-S331 WeakPolarHBondContact CA-OG 3.39Å; L327-A335 HydrophobicContact CD2-CB 4.02Å; L327-F336 HydrophobicContact CD1-CD2 4.01Å; L327-K339 HydrophobicContact CD1-CB 3.77Å; L327-K339 HydrophobicContact CD1-CG 3.91Å; L327-K339 HydrophobicContact CG-CB 4.26Å; L327-K339 HydrophobicContact CG-CG 4.28Å; L327-F359 HydrophobicContact CB-CE2 3.78Å; L327-F359 HydrophobicContact CB-CZ 3.93Å; L327-F359 HydrophobicContact CD1-CE2 4.24Å; L327-I369 HydrophobicContact CB-CB 4.43Å; L327-I369 WeakPolarHBondContact O-CB 3.34Å; L327-I369 PolarHBondContact O-N 3.5Å; L327-L374 HydrophobicContact CD1-CD1 3.71Å; L327-L374 HydrophobicContact CD1-CD2 3.85Å; L327-L374 HydrophobicContact CD1-CG 4.42Å
328G79.4Confident77.2Confident3 Ų352.4 Ų52.43%0.03128%0.284CS..  trans-154.8-170.3179.800000111.6L330 S331 F359G328-L330 PolarHBondContact O-N 3.01Å; G328-S331 PolarHBondContact N-OG 3.04Å; G328-S331 WeakPolarHBondContact O-CB 3.46Å; G328-S331 PolarHBondContact O-N 3.46Å; G328-S331 PolarHBondContact O-OG 2.94Å; G328-F359 WeakPolarHBondContact O-CZ 3.32Å
329K79.8Confident76.8Confident113 Ų11353.2 Ų53.249%0.49129%0.288SS..THydrogen-bonded Turntrans-56.8-29.1-176.3-179.3168.8173.8142.10113.1K360 A363 D364K329-K360 PolarHBondContact O-NZ 3.43Å; K329-A363 HydrophobicContact CB-CB 4.46Å; K329-D364 WeakPolarHBondContact CD-OD1 3.3Å; K329-D364 WeakPolarHBondContact CE-OD1 3.36Å; K329-D364 IonicContact NZ-OD1 3.86Å; K329-D364 PolarHBondContact NZ-OD1 2.72Å
330L79.2Confident76.7Confident108 Ų10852.4 Ų52.457%0.56528%0.279SS*.THydrogen-bonded Turntrans-91.4-4.9-178.1-59.9179.1000114.3E295 G297 G328E295-L330 HydrophobicContact CG-CB 4.4Å; G297-L330 PolarHBondContact N-O 2.75Å; G328-L330 PolarHBondContact O-N 3.01Å
331S80.7Confident76.8Confident1 Ų157.3 Ų57.31%0.00730%0.299CS..  trans-68.9140.8-178.9-53.60000111.7L327 G328L327-S331 WeakPolarHBondContact CA-OG 3.39Å; G328-S331 PolarHBondContact N-OG 3.04Å; G328-S331 WeakPolarHBondContact O-CB 3.46Å; G328-S331 PolarHBondContact O-N 3.46Å; G328-S331 PolarHBondContact O-OG 2.94Å
332G82.8Confident77.5Confident25 Ų2555.3 Ų55.326%0.25829%0.285SS..  trans-89.3167.8178.200000112.7H334 A335 F336G332-H334 PolarHBondContact O-N 3.44Å; G332-A335 PolarHBondContact O-N 2.76Å; G332-F336 PolarHBondContact O-N 3.17Å; G332-F336 VanDerWaalsContact O-N 3.07Å
333R84.6Confident78.5Confident72 Ų7250.5 Ų50.527%0.27226%0.264SS..Hα-helixtrans-58-34.8179.6-165.2178.488.3148.29.1112.9N337 D349 K353 F356R333-N337 WeakPolarHBondContact O-CB 3.43Å; R333-N337 VanDerWaalsContact O-CG 3.26Å; R333-N337 PolarHBondContact O-N 3.03Å; R333-N337 PolarHBondContact O-OD1 2.86Å; R333-D349 IonicContact CZ-OD1 3.31Å; R333-D349 IonicContact NH1-OD1 2.83Å; R333-D349 IonicContact NH2-OD1 2.65Å; R333-D349 PolarHBondContact NH2-OD1 2.92Å; R333-K353 VanDerWaalsContact NH1-CG 3.33Å; R333-F356 HydrophobicContact CB-CD1 4.3Å; R333-F356 HydrophobicContact CB-CD2 4.26Å; R333-F356 HydrophobicContact CB-CE1 4.23Å; R333-F356 HydrophobicContact CB-CE2 4.2Å; R333-F356 HydrophobicContact CB-CG 4.3Å; R333-F356 HydrophobicContact CB-CZ 4.18Å; R333-F356 HydrophobicContact CG-CB 4.38Å; R333-F356 HydrophobicContact CG-CD1 4.34Å; R333-F356 HydrophobicContact CG-CD2 4.3Å; R333-F356 HydrophobicContact CG-CG 4.09Å
334H80.9Confident79.3Confident129 Ų12950.3 Ų50.360%0.59728%0.279SS*.Hα-helixtrans-67.9-45179.9-75.860.3000112.1G332 N337 A338G332-H334 PolarHBondContact O-N 3.44Å; H334-N337 PolarHBondContact O-N 2.74Å; H334-A338 WeakPolarHBondContact O-CB 3.37Å; H334-A338 PolarHBondContact O-N 3.46Å
335A81.8Confident80.2Confident2 Ų250.9 Ų50.92%0.01727%0.271CS..Hα-helixtrans-65-40.117600000112.1Q300 L325 L327 G332 A338 K339Q300-A335 HydrophobicContact CB-CB 4.1Å; Q300-A335 HydrophobicContact CG-CB 4.33Å; L325-A335 HydrophobicContact CD2-CB 3.73Å; L327-A335 HydrophobicContact CD2-CB 4.02Å; G332-A335 PolarHBondContact O-N 2.76Å; A335-A338 PolarHBondContact O-N 2.74Å; A335-K339 WeakPolarHBondContact O-CB 3.28Å; A335-K339 PolarHBondContact O-N 2.95Å
336F87.2Confident80.6Confident1 Ų158.2 Ų58.20%0.00430%0.304CS..Hα-helixtrans-58.9-50.7173.3175.5-104.4000111.6L327 G332 A338 K339 L340 A355 F356 F359 L374L327-F336 HydrophobicContact CD1-CD2 4.01Å; G332-F336 PolarHBondContact O-N 3.17Å; G332-F336 VanDerWaalsContact O-N 3.07Å; F336-A338 PolarHBondContact O-N 2.72Å; F336-K339 PolarHBondContact O-N 3.21Å; F336-L340 HydrophobicContact CD1-CD1 4.12Å; F336-L340 HydrophobicContact CE1-CD1 3.48Å; F336-L340 VanDerWaalsContact CE1-CD1 3.48Å; F336-L340 HydrophobicContact CE1-CG 4.28Å; F336-L340 HydrophobicContact CE2-CD1 4.19Å; F336-L340 HydrophobicContact CE2-CD2 4.49Å; F336-L340 HydrophobicContact CE2-CG 4.33Å; F336-L340 HydrophobicContact CZ-CD1 3.53Å; F336-L340 HydrophobicContact CZ-CG 4.16Å; F336-L340 WeakPolarHBondContact O-CG 3.3Å; F336-L340 PolarHBondContact O-N 3.2Å; F336-A355 HydrophobicContact CE1-CB 4.01Å; F336-A355 HydrophobicContact CZ-CB 3.95Å; F336-F356 HydrophobicContact CB-CD2 3.74Å; F336-F356 HydrophobicContact CB-CE2 4Å; F336-F356 HydrophobicContact CD1-CB 4.02Å; F336-F356 AromaticContact CD1-CD2 3.76Å; F336-F356 HydrophobicContact CD1-CD2 3.76Å; F336-F356 HydrophobicContact CD1-CG 4.38Å; F336-F356 HydrophobicContact CD2-CD2 4.47Å; F336-F356 HydrophobicContact CE1-CB 4.05Å; F336-F356 HydrophobicContact CE1-CD2 4.48Å; F336-F356 AromaticContact CG-CD2 3.74Å; F336-F356 HydrophobicContact CG-CD2 3.74Å; F336-F356 HydrophobicContact CG-CE2 4.44Å; F336-F359 HydrophobicContact CD2-CB 3.91Å; F336-F359 AromaticContact CD2-CD1 3.82Å; F336-F359 HydrophobicContact CD2-CD1 3.82Å; F336-F359 AromaticContact CD2-CD2 3.84Å; F336-F359 HydrophobicContact CD2-CD2 3.84Å; F336-F359 HydrophobicContact CD2-CE1 4.34Å; F336-F359 HydrophobicContact CD2-CE2 4.35Å; F336-F359 AromaticContact CD2-CG 3.54Å; F336-F359 HydrophobicContact CD2-CG 3.54Å; F336-F359 HydrophobicContact CE2-CB 3.45Å; F336-F359 VanDerWaalsContact CE2-CB 3.45Å; F336-F359 HydrophobicContact CE2-CD1 4.27Å; F336-F359 AromaticContact CE2-CD2 3.92Å; F336-F359 HydrophobicContact CE2-CD2 3.92Å; F336-F359 AromaticContact CE2-CG 3.6Å; F336-F359 HydrophobicContact CE2-CG 3.6Å; F336-F359 HydrophobicContact CG-CD1 4.3Å; F336-F359 HydrophobicContact CG-CG 4.42Å; F336-F359 HydrophobicContact CZ-CB 3.94Å; F336-F359 HydrophobicContact CZ-CG 4.49Å; F336-L374 HydrophobicContact CD2-CD2 4.15Å; F336-L374 HydrophobicContact CE2-CD2 3.81Å
337N86.2Confident80.8Confident38 Ų3858.3 Ų58.320%0.20330%0.302CS..Hα-helixtrans-63.9-42.1178.7-71.6-2.5000112.5R333 H334 K339 L340 E341 S352R333-N337 WeakPolarHBondContact O-CB 3.43Å; R333-N337 VanDerWaalsContact O-CG 3.26Å; R333-N337 PolarHBondContact O-N 3.03Å; R333-N337 PolarHBondContact O-OD1 2.86Å; H334-N337 PolarHBondContact O-N 2.74Å; N337-K339 VanDerWaalsContact C-N 3.29Å; N337-K339 PolarHBondContact O-N 2.91Å; N337-L340 PolarHBondContact O-N 3.04Å; N337-E341 WeakPolarHBondContact O-CG 3.34Å; N337-E341 PolarHBondContact O-N 2.65Å; N337-S352 VanDerWaalsContact CG-OG 3.27Å; N337-S352 PolarHBondContact ND2-OG 3.48Å; N337-S352 PolarHBondContact OD1-OG 2.94Å
338A81.8Confident80.9Confident32 Ų3262.1 Ų62.126%0.26432%0.322SS..Hα-helixtrans-61.4-38.3177.100000112L304 H334 A335 F336 E341 E342L304-A338 HydrophobicContact CD2-CB 4.47Å; H334-A338 WeakPolarHBondContact O-CB 3.37Å; H334-A338 PolarHBondContact O-N 3.46Å; A335-A338 PolarHBondContact O-N 2.74Å; F336-A338 PolarHBondContact O-N 2.72Å; A338-E341 PolarHBondContact O-N 3.29Å; A338-E342 WeakPolarHBondContact O-CB 3.41Å; A338-E342 PolarHBondContact O-N 2.97Å
339K82.2Confident80.8Confident18 Ų1867 Ų678%0.07835%0.348CS..Hα-helixtrans-70.9-36.9175.8-168.463.7-175.6169.10112.2L327 A335 F336 N337 E342 L343 D371 L374L327-K339 HydrophobicContact CD1-CB 3.77Å; L327-K339 HydrophobicContact CD1-CG 3.91Å; L327-K339 HydrophobicContact CG-CB 4.26Å; L327-K339 HydrophobicContact CG-CG 4.28Å; A335-K339 WeakPolarHBondContact O-CB 3.28Å; A335-K339 PolarHBondContact O-N 2.95Å; F336-K339 PolarHBondContact O-N 3.21Å; N337-K339 VanDerWaalsContact C-N 3.29Å; N337-K339 PolarHBondContact O-N 2.91Å; K339-E342 WeakPolarHBondContact CD-OE2 3.41Å; K339-E342 IonicContact NZ-OE1 3.36Å; K339-E342 PolarHBondContact NZ-OE1 3.39Å; K339-E342 IonicContact NZ-OE2 2.8Å; K339-E342 PolarHBondContact NZ-OE2 2.95Å; K339-E342 WeakPolarHBondContact O-CB 3.41Å; K339-E342 PolarHBondContact O-N 3.21Å; K339-L343 VanDerWaalsContact O-CG 3.3Å; K339-L343 WeakPolarHBondContact O-CG 3.47Å; K339-L343 PolarHBondContact O-N 2.72Å; K339-D371 WeakPolarHBondContact CE-OD1 3.38Å; K339-D371 IonicContact NZ-OD1 3.71Å; K339-D371 IonicContact NZ-OD2 3.51Å; K339-D371 PolarHBondContact NZ-OD2 2.75Å; K339-L374 HydrophobicContact CG-CD1 3.75Å
340L85Confident80.8Confident3 Ų366.5 Ų66.52%0.01635%0.354CS..Hα-helixtrans-64.9-40.7173.3-71.1-170000112F336 N337 L343 G344 Y345 L347 L374 L378F336-L340 HydrophobicContact CD1-CD1 4.12Å; F336-L340 HydrophobicContact CE1-CD1 3.48Å; F336-L340 VanDerWaalsContact CE1-CD1 3.48Å; F336-L340 HydrophobicContact CE1-CG 4.28Å; F336-L340 HydrophobicContact CE2-CD1 4.19Å; F336-L340 HydrophobicContact CE2-CD2 4.49Å; F336-L340 HydrophobicContact CE2-CG 4.33Å; F336-L340 HydrophobicContact CZ-CD1 3.53Å; F336-L340 HydrophobicContact CZ-CG 4.16Å; F336-L340 WeakPolarHBondContact O-CG 3.3Å; F336-L340 PolarHBondContact O-N 3.2Å; N337-L340 PolarHBondContact O-N 3.04Å; L340-L343 CarbonylContact O-C 3.39Å; L340-L343 PolarHBondContact O-N 2.9Å; L340-G344 PolarHBondContact O-N 3.49Å; L340-G344 VanDerWaalsContact O-N 3.12Å; L340-Y345 CarbonylContact C-O 3.49Å; L340-Y345 PolarHBondContact O-N 3.32Å; L340-L347 HydrophobicContact CD1-CD1 3.47Å; L340-L347 VanDerWaalsContact CD1-CD1 3.47Å; L340-L347 HydrophobicContact CD1-CG 4.24Å; L340-L374 HydrophobicContact CD2-CB 4.17Å; L340-L378 HydrophobicContact CD1-CD1 4.24Å; L340-L378 HydrophobicContact CD1-CD2 4.28Å; L340-L378 HydrophobicContact CD2-CD1 3.72Å; L340-L378 HydrophobicContact CD2-CG 4.44Å
341E83.6Confident80.7Confident132 Ų13263.6 Ų63.662%0.61734%0.339SS*.Hα-helixtrans-63.1-41.1173.3-75.5175.2-168.400111.7N337 A338 L343 G344 Y345N337-E341 WeakPolarHBondContact O-CG 3.34Å; N337-E341 PolarHBondContact O-N 2.65Å; A338-E341 PolarHBondContact O-N 3.29Å; E341-L343 VanDerWaalsContact C-N 3.26Å; E341-L343 PolarHBondContact O-N 3.21Å; E341-G344 PolarHBondContact O-N 3.47Å; E341-Y345 PolarHBondContact N-O 3.2Å
342E78.9Confident80.9Confident112 Ų11263.6 Ų63.652%0.52334%0.34SS..Hα-helixtrans-60.1-35.2173-170.4-165.8137.600112.1A338 K339 G344A338-E342 WeakPolarHBondContact O-CB 3.41Å; A338-E342 PolarHBondContact O-N 2.97Å; K339-E342 WeakPolarHBondContact CD-OE2 3.41Å; K339-E342 IonicContact NZ-OE1 3.36Å; K339-E342 PolarHBondContact NZ-OE1 3.39Å; K339-E342 IonicContact NZ-OE2 2.8Å; K339-E342 PolarHBondContact NZ-OE2 2.95Å; K339-E342 WeakPolarHBondContact O-CB 3.41Å; K339-E342 PolarHBondContact O-N 3.21Å; E342-G344 VanDerWaalsContact C-N 3.28Å; E342-G344 PolarHBondContact O-N 3.48Å
343L79.5Confident80.9Confident52 Ų5268.6 Ų68.627%0.27235%0.354SS..THydrogen-bonded Turntrans-81.9-0.5175.2-66.4174.2000113.8K339 L340 E341 Y345 D371 L374K339-L343 VanDerWaalsContact O-CG 3.3Å; K339-L343 WeakPolarHBondContact O-CG 3.47Å; K339-L343 PolarHBondContact O-N 2.72Å; L340-L343 CarbonylContact O-C 3.39Å; L340-L343 PolarHBondContact O-N 2.9Å; E341-L343 VanDerWaalsContact C-N 3.26Å; E341-L343 PolarHBondContact O-N 3.21Å; L343-Y345 HydrophobicContact CB-CD2 3.94Å; L343-Y345 HydrophobicContact CB-CE2 4.19Å; L343-D371 HydrophobicContact CD1-CB 4.15Å; L343-D371 HydrophobicContact CD2-CB 3.9Å; L343-L374 HydrophobicContact CD1-CB 4.13Å; L343-L374 HydrophobicContact CD1-CD1 3.87Å
344G75.8Confident80.9Confident65 Ų6568.8 Ų68.867%0.6736%0.358SS*.THydrogen-bonded Turntrans91.28.5176.900000115.9L340 E341 E342L340-G344 PolarHBondContact O-N 3.49Å; L340-G344 VanDerWaalsContact O-N 3.12Å; E341-G344 PolarHBondContact O-N 3.47Å; E342-G344 VanDerWaalsContact C-N 3.28Å; E342-G344 PolarHBondContact O-N 3.48Å
345Y77.9Confident81Confident81 Ų8162.6 Ų62.632%0.31833%0.33SS..  trans-96.8128.6178.5-62.9-87.1000111.7L340 E341 L343 V375 L378L340-Y345 CarbonylContact C-O 3.49Å; L340-Y345 PolarHBondContact O-N 3.32Å; E341-Y345 PolarHBondContact N-O 3.2Å; L343-Y345 HydrophobicContact CB-CD2 3.94Å; L343-Y345 HydrophobicContact CB-CE2 4.19Å; Y345-V375 HydrophobicContact CE2-CG2 4.09Å; Y345-L378 HydrophobicContact CD1-CD1 3.54Å; Y345-L378 HydrophobicContact CD2-CD1 3.71Å; Y345-L378 HydrophobicContact CE1-CD1 3.87Å; Y345-L378 HydrophobicContact CE2-CD1 4.04Å; Y345-L378 HydrophobicContact CG-CD1 3.44Å; Y345-L378 VanDerWaalsContact CG-CD1 3.44Å
346Q75Confident81.4Confident184 Ų18464.4 Ų64.486%0.8634%0.337SS*.  trans-111.5111.2170.2-68.2-174.94.200109.6
347L76.7Confident81.4Confident45 Ų4570.6 Ų70.624%0.23636%0.364CS..  trans-101.3139.5177.4-61.1-178.1000110.5L340 D351 A355 L378L340-L347 HydrophobicContact CD1-CD1 3.47Å; L340-L347 VanDerWaalsContact CD1-CD1 3.47Å; L340-L347 HydrophobicContact CD1-CG 4.24Å; L347-D351 HydrophobicContact CB-CB 4.18Å; L347-D351 HydrophobicContact CD2-CB 4.17Å; L347-A355 HydrophobicContact CD1-CB 3.79Å; L347-L378 HydrophobicContact CD1-CD2 3.98Å; L347-L378 HydrophobicContact CD2-CD2 4.41Å
348N80Confident81.3Confident88 Ų8871.8 Ų71.847%0.47137%0.366SS..  trans-68.5168.7166.769.850.7000110.6T350 D351 S352N348-T350 PolarHBondContact O-N 3.19Å; N348-T350 VanDerWaalsContact O-N 3.15Å; N348-T350 WeakPolarHBondContact OD1-CA 3.16Å; N348-T350 WeakPolarHBondContact OD1-CB 3.35Å; N348-T350 PolarHBondContact OD1-N 3.19Å; N348-D351 VanDerWaalsContact CG-OD2 3.25Å; N348-D351 PolarHBondContact ND2-OD2 3.06Å; N348-D351 PolarHBondContact O-N 3Å; N348-D351 PolarHBondContact OD1-N 3.41Å; N348-D351 PolarHBondContact OD1-OD2 2.96Å; N348-S352 VanDerWaalsContact O-CB 3.23Å; N348-S352 WeakPolarHBondContact O-CB 3.49Å; N348-S352 PolarHBondContact O-N 3.21Å
349D77Confident81.6Confident105 Ų10570.2 Ų70.256%0.56135%0.353SS*.Hα-helixtrans-60.8-26.1-175.5-109.8-34000114.3R333 K353R333-D349 IonicContact CZ-OD1 3.31Å; R333-D349 IonicContact NH1-OD1 2.83Å; R333-D349 IonicContact NH2-OD1 2.65Å; R333-D349 PolarHBondContact NH2-OD1 2.92Å; D349-K353 WeakPolarHBondContact O-CG 3.48Å; D349-K353 PolarHBondContact O-N 3.4Å
350T79.4Confident81.8Confident103 Ų10372.7 Ų72.763%0.63236%0.364SS*.Hα-helixtrans-78.7-51.4178.5-550000110.1N348 S352 K353 E354N348-T350 PolarHBondContact O-N 3.19Å; N348-T350 VanDerWaalsContact O-N 3.15Å; N348-T350 WeakPolarHBondContact OD1-CA 3.16Å; N348-T350 WeakPolarHBondContact OD1-CB 3.35Å; N348-T350 PolarHBondContact OD1-N 3.19Å; T350-S352 VanDerWaalsContact C-N 3.32Å; T350-S352 PolarHBondContact O-N 2.62Å; T350-K353 WeakPolarHBondContact O-CB 3.21Å; T350-K353 PolarHBondContact O-N 3.08Å; T350-E354 PolarHBondContact O-N 2.98Å
351D78Confident81.8Confident47 Ų4775 Ų7525%0.25138%0.383SS..Hα-helixtrans-64.2-39.5179.6-61.2-25.6000111.1L347 N348 K353 E354 A355L347-D351 HydrophobicContact CB-CB 4.18Å; L347-D351 HydrophobicContact CD2-CB 4.17Å; N348-D351 VanDerWaalsContact CG-OD2 3.25Å; N348-D351 PolarHBondContact ND2-OD2 3.06Å; N348-D351 PolarHBondContact O-N 3Å; N348-D351 PolarHBondContact OD1-N 3.41Å; N348-D351 PolarHBondContact OD1-OD2 2.96Å; D351-K353 VanDerWaalsContact C-N 3.26Å; D351-K353 PolarHBondContact O-N 3.07Å; D351-E354 PolarHBondContact O-N 2.82Å; D351-A355 WeakPolarHBondContact O-CB 3.46Å; D351-A355 PolarHBondContact O-N 2.82Å
352S83.8Confident81.7Confident2 Ų269.4 Ų69.41%0.01436%0.358CS..Hα-helixtrans-57.9-37.1173.4171.60000112N337 N348 T350 F356N337-S352 VanDerWaalsContact CG-OG 3.27Å; N337-S352 PolarHBondContact ND2-OG 3.48Å; N337-S352 PolarHBondContact OD1-OG 2.94Å; N348-S352 VanDerWaalsContact O-CB 3.23Å; N348-S352 WeakPolarHBondContact O-CB 3.49Å; N348-S352 PolarHBondContact O-N 3.21Å; T350-S352 VanDerWaalsContact C-N 3.32Å; T350-S352 PolarHBondContact O-N 2.62Å; S352-F356 WeakPolarHBondContact O-CB 3.5Å; S352-F356 PolarHBondContact O-N 2.79Å
353K84.6Confident82Confident129 Ų12964.3 Ų64.356%0.56134%0.335SS*.Hα-helixtrans-70.1-43.4177.4-77.2173-174.9169.70112.1R333 D349 T350 D351 F356 K357R333-K353 VanDerWaalsContact NH1-CG 3.33Å; D349-K353 WeakPolarHBondContact O-CG 3.48Å; D349-K353 PolarHBondContact O-N 3.4Å; T350-K353 WeakPolarHBondContact O-CB 3.21Å; T350-K353 PolarHBondContact O-N 3.08Å; D351-K353 VanDerWaalsContact C-N 3.26Å; D351-K353 PolarHBondContact O-N 3.07Å; K353-F356 PolarHBondContact O-N 3.46Å; K353-K357 WeakPolarHBondContact O-CB 3.45Å; K353-K357 PolarHBondContact O-N 3.32Å
354E82.7Confident82.1Confident76 Ų7666.4 Ų66.436%0.35535%0.346SS..Hα-helixtrans-72.9-44.5-178.3-163.758.6-149.600111.2T350 D351 F356 K357 R358T350-E354 PolarHBondContact O-N 2.98Å; D351-E354 PolarHBondContact O-N 2.82Å; E354-F356 VanDerWaalsContact C-N 3.3Å; E354-F356 PolarHBondContact O-N 2.99Å; E354-K357 WeakPolarHBondContact O-CB 3.28Å; E354-K357 PolarHBondContact O-N 3.31Å; E354-K357 VanDerWaalsContact O-N 3.1Å; E354-K357 IonicContact OE1-NZ 2.74Å; E354-R358 PolarHBondContact O-N 3.32Å
355A84.7Confident82.2Confident0 Ų070 Ų700%034%0.343CS..Hα-helixtrans-58.4-42.217200000111.1F336 L347 D351 K357 R358 F359 L377 L378F336-A355 HydrophobicContact CE1-CB 4.01Å; F336-A355 HydrophobicContact CZ-CB 3.95Å; L347-A355 HydrophobicContact CD1-CB 3.79Å; D351-A355 WeakPolarHBondContact O-CB 3.46Å; D351-A355 PolarHBondContact O-N 2.82Å; A355-K357 VanDerWaalsContact C-N 3.35Å; A355-K357 PolarHBondContact O-N 3.22Å; A355-R358 PolarHBondContact O-N 3.41Å; A355-F359 WeakPolarHBondContact O-CB 3.2Å; A355-F359 PolarHBondContact O-N 3.4Å; A355-L377 HydrophobicContact CB-CD2 4.28Å; A355-L378 HydrophobicContact CB-CD2 3.97Å
356F89.1Confident81.9Confident39 Ų3966.9 Ų66.917%0.17133%0.331CS..Hα-helixtrans-64.1-38.2175.7-175.5-110.3000112.3R333 F336 S352 K353 E354 F359 K360R333-F356 HydrophobicContact CB-CD1 4.3Å; R333-F356 HydrophobicContact CB-CD2 4.26Å; R333-F356 HydrophobicContact CB-CE1 4.23Å; R333-F356 HydrophobicContact CB-CE2 4.2Å; R333-F356 HydrophobicContact CB-CG 4.3Å; R333-F356 HydrophobicContact CB-CZ 4.18Å; R333-F356 HydrophobicContact CG-CB 4.38Å; R333-F356 HydrophobicContact CG-CD1 4.34Å; R333-F356 HydrophobicContact CG-CD2 4.3Å; R333-F356 HydrophobicContact CG-CG 4.09Å; F336-F356 HydrophobicContact CB-CD2 3.74Å; F336-F356 HydrophobicContact CB-CE2 4Å; F336-F356 HydrophobicContact CD1-CB 4.02Å; F336-F356 AromaticContact CD1-CD2 3.76Å; F336-F356 HydrophobicContact CD1-CD2 3.76Å; F336-F356 HydrophobicContact CD1-CG 4.38Å; F336-F356 HydrophobicContact CD2-CD2 4.47Å; F336-F356 HydrophobicContact CE1-CB 4.05Å; F336-F356 HydrophobicContact CE1-CD2 4.48Å; F336-F356 AromaticContact CG-CD2 3.74Å; F336-F356 HydrophobicContact CG-CD2 3.74Å; F336-F356 HydrophobicContact CG-CE2 4.44Å; S352-F356 WeakPolarHBondContact O-CB 3.5Å; S352-F356 PolarHBondContact O-N 2.79Å; K353-F356 PolarHBondContact O-N 3.46Å; E354-F356 VanDerWaalsContact C-N 3.3Å; E354-F356 PolarHBondContact O-N 2.99Å; F356-F359 AromaticContact CD2-CD1 3.68Å; F356-F359 HydrophobicContact CD2-CD1 3.68Å; F356-F359 HydrophobicContact CD2-CE1 4.26Å; F356-F359 AromaticContact CE2-CD1 3.71Å; F356-F359 HydrophobicContact CE2-CD1 3.71Å; F356-F359 AromaticContact CE2-CE1 3.84Å; F356-F359 HydrophobicContact CE2-CE1 3.84Å; F356-F359 WeakPolarHBondContact O-CB 3.46Å; F356-F359 PolarHBondContact O-N 3.02Å; F356-K360 HydrophobicContact CD1-CG 4.27Å; F356-K360 HydrophobicContact CE1-CD 4.15Å; F356-K360 HydrophobicContact CE1-CG 3.92Å; F356-K360 HydrophobicContact CE2-CD 4.19Å; F356-K360 HydrophobicContact CE2-CG 4.4Å; F356-K360 HydrophobicContact CZ-CD 3.76Å; F356-K360 HydrophobicContact CZ-CG 4Å; F356-K360 VanDerWaalsContact O-CG 3.31Å; F356-K360 WeakPolarHBondContact O-CG 3.38Å; F356-K360 PolarHBondContact O-N 3.02Å
357K87.1Confident81.6Confident131 Ų13167.2 Ų67.257%0.5733%0.33SS*.Hα-helixtrans-65-44.5176.8-177-174.6167.7-155.60111.6K353 E354 A355 F359 K360 A361K353-K357 WeakPolarHBondContact O-CB 3.45Å; K353-K357 PolarHBondContact O-N 3.32Å; E354-K357 WeakPolarHBondContact O-CB 3.28Å; E354-K357 PolarHBondContact O-N 3.31Å; E354-K357 VanDerWaalsContact O-N 3.1Å; E354-K357 IonicContact OE1-NZ 2.74Å; A355-K357 VanDerWaalsContact C-N 3.35Å; A355-K357 PolarHBondContact O-N 3.22Å; K357-F359 VanDerWaalsContact C-N 3.31Å; K357-F359 PolarHBondContact O-N 3.29Å; K357-K360 PolarHBondContact O-N 2.9Å; K357-A361 PolarHBondContact O-N 3.04Å
358R83.5Confident81.3Confident63 Ų6370.9 Ų70.924%0.23835%0.346CS..Hα-helixtrans-60.9-41.8171.9-69.3178.3-179.1-162.9-2110.7E354 A355 K360 A361 L362 L377 E384E354-R358 PolarHBondContact O-N 3.32Å; A355-R358 PolarHBondContact O-N 3.41Å; R358-K360 VanDerWaalsContact C-N 3.31Å; R358-K360 PolarHBondContact O-N 3.47Å; R358-A361 WeakPolarHBondContact O-CB 3.41Å; R358-A361 PolarHBondContact O-N 3.16Å; R358-A361 VanDerWaalsContact O-N 3.14Å; R358-L362 WeakPolarHBondContact O-CB 3.37Å; R358-L362 PolarHBondContact O-N 3.2Å; R358-L377 HydrophobicContact CB-CD1 3.97Å; R358-L377 HydrophobicContact CB-CD2 3.9Å; R358-L377 HydrophobicContact CB-CG 4.01Å; R358-E384 IonicContact CZ-OE2 3.1Å; R358-E384 IonicContact NH1-OE2 3.3Å; R358-E384 IonicContact NH2-OE2 3.89Å; R358-E384 PolarHBondContact NH2-OE2 2.84Å
359F89Confident81.2Confident0 Ų067.1 Ų67.10%033%0.326CS..Hα-helixtrans-60.6-41.3176.7158.4-99.9000111.2L327 G328 F336 A355 F356 K357 L362 A363 I369 L374 L377L327-F359 HydrophobicContact CB-CE2 3.78Å; L327-F359 HydrophobicContact CB-CZ 3.93Å; L327-F359 HydrophobicContact CD1-CE2 4.24Å; G328-F359 WeakPolarHBondContact O-CZ 3.32Å; F336-F359 HydrophobicContact CD2-CB 3.91Å; F336-F359 AromaticContact CD2-CD1 3.82Å; F336-F359 HydrophobicContact CD2-CD1 3.82Å; F336-F359 AromaticContact CD2-CD2 3.84Å; F336-F359 HydrophobicContact CD2-CD2 3.84Å; F336-F359 HydrophobicContact CD2-CE1 4.34Å; F336-F359 HydrophobicContact CD2-CE2 4.35Å; F336-F359 AromaticContact CD2-CG 3.54Å; F336-F359 HydrophobicContact CD2-CG 3.54Å; F336-F359 HydrophobicContact CE2-CB 3.45Å; F336-F359 VanDerWaalsContact CE2-CB 3.45Å; F336-F359 HydrophobicContact CE2-CD1 4.27Å; F336-F359 AromaticContact CE2-CD2 3.92Å; F336-F359 HydrophobicContact CE2-CD2 3.92Å; F336-F359 AromaticContact CE2-CG 3.6Å; F336-F359 HydrophobicContact CE2-CG 3.6Å; F336-F359 HydrophobicContact CG-CD1 4.3Å; F336-F359 HydrophobicContact CG-CG 4.42Å; F336-F359 HydrophobicContact CZ-CB 3.94Å; F336-F359 HydrophobicContact CZ-CG 4.49Å; A355-F359 WeakPolarHBondContact O-CB 3.2Å; A355-F359 PolarHBondContact O-N 3.4Å; F356-F359 AromaticContact CD2-CD1 3.68Å; F356-F359 HydrophobicContact CD2-CD1 3.68Å; F356-F359 HydrophobicContact CD2-CE1 4.26Å; F356-F359 AromaticContact CE2-CD1 3.71Å; F356-F359 HydrophobicContact CE2-CD1 3.71Å; F356-F359 AromaticContact CE2-CE1 3.84Å; F356-F359 HydrophobicContact CE2-CE1 3.84Å; F356-F359 WeakPolarHBondContact O-CB 3.46Å; F356-F359 PolarHBondContact O-N 3.02Å; K357-F359 VanDerWaalsContact C-N 3.31Å; K357-F359 PolarHBondContact O-N 3.29Å; F359-L362 PolarHBondContact O-N 3.12Å; F359-A363 HydrophobicContact CE2-CB 4.29Å; F359-A363 HydrophobicContact CZ-CB 4.33Å; F359-A363 VanDerWaalsContact O-CB 3.23Å; F359-A363 WeakPolarHBondContact O-CB 3.35Å; F359-A363 PolarHBondContact O-N 2.91Å; F359-I369 HydrophobicContact CD2-CG2 4.38Å; F359-I369 HydrophobicContact CE2-CB 4.3Å; F359-I369 HydrophobicContact CE2-CG1 3.94Å; F359-I369 HydrophobicContact CE2-CG2 4.17Å; F359-L374 HydrophobicContact CD2-CD2 3.97Å; F359-L374 HydrophobicContact CE2-CD2 4.37Å; F359-L377 VanDerWaalsContact CA-CD1 3.46Å; F359-L377 HydrophobicContact CB-CD1 4.04Å
360K87.2Confident81.4Confident69 Ų6964.7 Ų64.730%0.332%0.315SS..Hα-helixtrans-64.7-40.7175.2-65.5-66.1-84.7-171.60111.9K329 F356 K357 R358 L362 A363 D364K329-K360 PolarHBondContact O-NZ 3.43Å; F356-K360 HydrophobicContact CD1-CG 4.27Å; F356-K360 HydrophobicContact CE1-CD 4.15Å; F356-K360 HydrophobicContact CE1-CG 3.92Å; F356-K360 HydrophobicContact CE2-CD 4.19Å; F356-K360 HydrophobicContact CE2-CG 4.4Å; F356-K360 HydrophobicContact CZ-CD 3.76Å; F356-K360 HydrophobicContact CZ-CG 4Å; F356-K360 VanDerWaalsContact O-CG 3.31Å; F356-K360 WeakPolarHBondContact O-CG 3.38Å; F356-K360 PolarHBondContact O-N 3.02Å; K357-K360 PolarHBondContact O-N 2.9Å; R358-K360 VanDerWaalsContact C-N 3.31Å; R358-K360 PolarHBondContact O-N 3.47Å; K360-L362 VanDerWaalsContact C-N 3.33Å; K360-A363 PolarHBondContact O-N 3.37Å; K360-D364 WeakPolarHBondContact O-CB 3.35Å; K360-D364 PolarHBondContact O-N 2.85Å
361A84.4Confident81.4Confident52 Ų5263.1 Ų63.143%0.4330%0.303SS..Hα-helixtrans-64.3-38.5174.600000112.1K357 R358 D364 K365K357-A361 PolarHBondContact O-N 3.04Å; R358-A361 WeakPolarHBondContact O-CB 3.41Å; R358-A361 PolarHBondContact O-N 3.16Å; R358-A361 VanDerWaalsContact O-N 3.14Å; A361-D364 PolarHBondContact O-N 3.36Å; A361-K365 PolarHBondContact O-N 2.89Å
362L81.8Confident81.2Confident15 Ų1568.6 Ų68.68%0.07932%0.324CS..Hα-helixtrans-66.7-47.6175.1-178.459.4000111.1R358 F359 K360 D364 K365 K366 I369 D373 L377 F483R358-L362 WeakPolarHBondContact O-CB 3.37Å; R358-L362 PolarHBondContact O-N 3.2Å; F359-L362 PolarHBondContact O-N 3.12Å; K360-L362 VanDerWaalsContact C-N 3.33Å; L362-D364 PolarHBondContact O-N 3.5Å; L362-K365 PolarHBondContact O-N 3.1Å; L362-K366 HydrophobicContact CD1-CB 4.45Å; L362-K366 WeakPolarHBondContact O-CB 3.4Å; L362-K366 PolarHBondContact O-N 3.15Å; L362-I369 HydrophobicContact CD2-CD1 4.14Å; L362-I369 HydrophobicContact CG-CD1 3.77Å; L362-D373 HydrophobicContact CD2-CB 4.03Å; L362-L377 HydrophobicContact CB-CD1 4.1Å; L362-L377 HydrophobicContact CD2-CD1 3.8Å; L362-F483 HydrophobicContact CD1-CE1 4.46Å; L362-F483 HydrophobicContact CD1-CZ 3.62Å
363A84.1Confident81Confident5 Ų568.6 Ų68.64%0.04132%0.324CS..Hα-helixtrans-68.4-18.2178.100000113.7K329 F359 K360 I369K329-A363 HydrophobicContact CB-CB 4.46Å; F359-A363 HydrophobicContact CE2-CB 4.29Å; F359-A363 HydrophobicContact CZ-CB 4.33Å; F359-A363 VanDerWaalsContact O-CB 3.23Å; F359-A363 WeakPolarHBondContact O-CB 3.35Å; F359-A363 PolarHBondContact O-N 2.91Å; K360-A363 PolarHBondContact O-N 3.37Å; A363-I369 HydrophobicContact CB-CD1 4.33Å; A363-I369 HydrophobicContact CB-CG1 4.09Å
364D83Confident80.9Confident96 Ų9662.5 Ų62.551%0.51330%0.298SS..Hα-helixtrans-75.4-29.5170-88.3-26.5000112.5K329 K360 A361 L362K329-D364 WeakPolarHBondContact CD-OD1 3.3Å; K329-D364 WeakPolarHBondContact CE-OD1 3.36Å; K329-D364 IonicContact NZ-OD1 3.86Å; K329-D364 PolarHBondContact NZ-OD1 2.72Å; K360-D364 WeakPolarHBondContact O-CB 3.35Å; K360-D364 PolarHBondContact O-N 2.85Å; A361-D364 PolarHBondContact O-N 3.36Å; L362-D364 PolarHBondContact O-N 3.5Å
365K77Confident80.7Confident140 Ų14061.5 Ų61.561%0.60930%0.296SS*.Hα-helixtrans-92.6-31178.4-65.3-178.7-178.9-177.50112.5A361 L362 F483A361-K365 PolarHBondContact O-N 2.89Å; L362-K365 PolarHBondContact O-N 3.1Å; K365-F483 HydrophobicContact CD-CE2 4.26Å; K365-F483 HydrophobicContact CD-CZ 4.36Å
366K72.1Confident80.1Confident15 Ų1563 Ų637%0.06531%0.309CS..  trans-114.7129.6-171.6-170.6173-168.8178.40113L362 Q368 I369 D373 T454 D458L362-K366 HydrophobicContact CD1-CB 4.45Å; L362-K366 WeakPolarHBondContact O-CB 3.4Å; L362-K366 PolarHBondContact O-N 3.15Å; K366-Q368 WeakPolarHBondContact CD-O 3.13Å; K366-Q368 WeakPolarHBondContact CE-O 3.02Å; K366-Q368 WeakPolarHBondContact CG-O 3.36Å; K366-I369 HydrophobicContact CB-CD1 3.79Å; K366-I369 HydrophobicContact CD-CD1 4Å; K366-I369 HydrophobicContact CG-CD1 4.04Å; K366-D373 WeakPolarHBondContact CE-OD2 3.45Å; K366-D373 IonicContact NZ-OD1 3.79Å; K366-D373 PolarHBondContact NZ-OD1 2.95Å; K366-D373 IonicContact NZ-OD2 3.35Å; K366-D373 PolarHBondContact NZ-OD2 3.21Å; K366-T454 PolarHBondContact NZ-OG1 3.03Å; K366-D458 VanDerWaalsContact CA-OD2 3.24Å; K366-D458 WeakPolarHBondContact CA-OD2 3.35Å; K366-D458 WeakPolarHBondContact CG-OD2 3.4Å
367K69.5Low79.5Confident191 Ų19162 Ų6283%0.8331%0.305SS*.SBendtrans-69.7-35-176.4-70.9-179-176.7168.20113.9D458K367-D458 PolarHBondContact N-OD2 3.42Å
368Q68.8Low78.8Confident122 Ų12255.9 Ų55.957%0.5728%0.279SS*.SBendtrans-134118.7-178.7-170176.69.200109.2K366K366-Q368 WeakPolarHBondContact CD-O 3.13Å; K366-Q368 WeakPolarHBondContact CE-O 3.02Å; K366-Q368 WeakPolarHBondContact CG-O 3.36Å
369I78.7Confident77.9Confident10 Ų1055 Ų555%0.05129%0.285CS..BIsolated β-bridgetrans-89.7119.3175.8-54.2-51.5000108L327 F359 L362 A363 K366 D373 L374L327-I369 HydrophobicContact CB-CB 4.43Å; L327-I369 WeakPolarHBondContact O-CB 3.34Å; L327-I369 PolarHBondContact O-N 3.5Å; F359-I369 HydrophobicContact CD2-CG2 4.38Å; F359-I369 HydrophobicContact CE2-CB 4.3Å; F359-I369 HydrophobicContact CE2-CG1 3.94Å; F359-I369 HydrophobicContact CE2-CG2 4.17Å; L362-I369 HydrophobicContact CD2-CD1 4.14Å; L362-I369 HydrophobicContact CG-CD1 3.77Å; A363-I369 HydrophobicContact CB-CD1 4.33Å; A363-I369 HydrophobicContact CB-CG1 4.09Å; K366-I369 HydrophobicContact CB-CD1 3.79Å; K366-I369 HydrophobicContact CD-CD1 4Å; K366-I369 HydrophobicContact CG-CD1 4.04Å; I369-D373 HydrophobicContact CG2-CB 3.78Å; I369-L374 HydrophobicContact CG2-CD2 3.66Å; I369-L374 HydrophobicContact CG2-CG 3.89Å
370T80.3Confident76.4Confident53 Ų5358.5 Ų58.533%0.32530%0.303SS..  trans-90.4163.1176.167.50000110.6K372 D373 L374T370-K372 PolarHBondContact O-N 3.13Å; T370-D373 WeakPolarHBondContact CA-OD2 3.28Å; T370-D373 WeakPolarHBondContact CB-OD2 3.38Å; T370-D373 PolarHBondContact N-OD2 3.34Å; T370-D373 VanDerWaalsContact O-CB 3.29Å; T370-D373 WeakPolarHBondContact O-CB 3.47Å; T370-D373 PolarHBondContact O-N 3.12Å; T370-D373 VanDerWaalsContact OG1-CG 3.24Å; T370-D373 PolarHBondContact OG1-N 3.39Å; T370-D373 PolarHBondContact OG1-OD2 3.43Å; T370-L374 PolarHBondContact O-N 3.09Å
371D80.2Confident74.8Confident71 Ų7157 Ų5738%0.3830%0.297SS..Hα-helixtrans-58.4-33.5175.3-65.2-6.3000111.6K339 L343 D373 L374 V375K339-D371 WeakPolarHBondContact CE-OD1 3.38Å; K339-D371 IonicContact NZ-OD1 3.71Å; K339-D371 IonicContact NZ-OD2 3.51Å; K339-D371 PolarHBondContact NZ-OD2 2.75Å; L343-D371 HydrophobicContact CD1-CB 4.15Å; L343-D371 HydrophobicContact CD2-CB 3.9Å; D371-D373 VanDerWaalsContact C-N 3.34Å; D371-D373 PolarHBondContact O-N 2.81Å; D371-L374 PolarHBondContact O-N 3.49Å; D371-V375 WeakPolarHBondContact O-CG2 3.46Å; D371-V375 PolarHBondContact O-N 2.85Å
372K73.9Confident73Confident161 Ų16162.9 Ų62.970%0.731%0.31SS*.Hα-helixtrans-64.2-36.5173.8-67.9-173.2177.5-1740113T370 L374 V375 A376T370-K372 PolarHBondContact O-N 3.13Å; K372-L374 VanDerWaalsContact C-N 3.33Å; K372-V375 PolarHBondContact O-N 2.89Å; K372-A376 WeakPolarHBondContact O-CB 3.44Å; K372-A376 PolarHBondContact O-N 2.93Å
373D80.1Confident71.3Confident2 Ų267 Ų671%0.01132%0.324CS..Hα-helixtrans-65.7-39.1176.5-66.1-57.7000111.5L362 K366 I369 T370 D371 A376 L377 T454L362-D373 HydrophobicContact CD2-CB 4.03Å; K366-D373 WeakPolarHBondContact CE-OD2 3.45Å; K366-D373 IonicContact NZ-OD1 3.79Å; K366-D373 PolarHBondContact NZ-OD1 2.95Å; K366-D373 IonicContact NZ-OD2 3.35Å; K366-D373 PolarHBondContact NZ-OD2 3.21Å; I369-D373 HydrophobicContact CG2-CB 3.78Å; T370-D373 WeakPolarHBondContact CA-OD2 3.28Å; T370-D373 WeakPolarHBondContact CB-OD2 3.38Å; T370-D373 PolarHBondContact N-OD2 3.34Å; T370-D373 VanDerWaalsContact O-CB 3.29Å; T370-D373 WeakPolarHBondContact O-CB 3.47Å; T370-D373 PolarHBondContact O-N 3.12Å; T370-D373 VanDerWaalsContact OG1-CG 3.24Å; T370-D373 PolarHBondContact OG1-N 3.39Å; T370-D373 PolarHBondContact OG1-OD2 3.43Å; D371-D373 VanDerWaalsContact C-N 3.34Å; D371-D373 PolarHBondContact O-N 2.81Å; D373-A376 PolarHBondContact O-N 3.3Å; D373-L377 VanDerWaalsContact O-CB 3.27Å; D373-L377 WeakPolarHBondContact O-CB 3.19Å; D373-L377 PolarHBondContact O-N 3.2Å; D373-T454 WeakPolarHBondContact OD1-CG2 3.29Å
374L82.8Confident69.4Low2 Ų271.6 Ų71.61%0.0135%0.345CS..Hα-helixtrans-65.9-43.8176.9-60.7170.3000110.8L327 F336 K339 L340 L343 F359 I369 T370 D371 K372 L377 L378L327-L374 HydrophobicContact CD1-CD1 3.71Å; L327-L374 HydrophobicContact CD1-CD2 3.85Å; L327-L374 HydrophobicContact CD1-CG 4.42Å; F336-L374 HydrophobicContact CD2-CD2 4.15Å; F336-L374 HydrophobicContact CE2-CD2 3.81Å; K339-L374 HydrophobicContact CG-CD1 3.75Å; L340-L374 HydrophobicContact CD2-CB 4.17Å; L343-L374 HydrophobicContact CD1-CB 4.13Å; L343-L374 HydrophobicContact CD1-CD1 3.87Å; F359-L374 HydrophobicContact CD2-CD2 3.97Å; F359-L374 HydrophobicContact CE2-CD2 4.37Å; I369-L374 HydrophobicContact CG2-CD2 3.66Å; I369-L374 HydrophobicContact CG2-CG 3.89Å; T370-L374 PolarHBondContact O-N 3.09Å; D371-L374 PolarHBondContact O-N 3.49Å; K372-L374 VanDerWaalsContact C-N 3.33Å; L374-L377 PolarHBondContact O-N 3.34Å; L374-L378 WeakPolarHBondContact O-CG 3.29Å; L374-L378 PolarHBondContact O-N 3Å; L374-L378 VanDerWaalsContact O-N 3.1Å
375V78.3Confident67.4Low55 Ų5575.2 Ų75.233%0.33336%0.359SS..Hα-helixtrans-61.8-46175.2172.90000110.9Y345 D371 K372 L377 L378 A379Y345-V375 HydrophobicContact CE2-CG2 4.09Å; D371-V375 WeakPolarHBondContact O-CG2 3.46Å; D371-V375 PolarHBondContact O-N 2.85Å; K372-V375 PolarHBondContact O-N 2.89Å; V375-L377 VanDerWaalsContact C-N 3.3Å; V375-L377 PolarHBondContact O-N 3.37Å; V375-L378 PolarHBondContact O-N 2.89Å; V375-A379 WeakPolarHBondContact O-CB 3.27Å; V375-A379 PolarHBondContact O-N 2.75Å
376A70.9Confident65.7Low31 Ų3172.3 Ų72.326%0.25635%0.353SS..Hα-helixtrans-61.1-40.2177.700000111.9K372 D373 L378 A379 D380K372-A376 WeakPolarHBondContact O-CB 3.44Å; K372-A376 PolarHBondContact O-N 2.93Å; D373-A376 PolarHBondContact O-N 3.3Å; A376-L378 VanDerWaalsContact C-N 3.32Å; A376-L378 PolarHBondContact O-N 3.4Å; A376-A379 PolarHBondContact O-N 3.41Å; A376-D380 PolarHBondContact O-N 3.38Å
377L76.5Confident64.7Low17 Ų1775.4 Ų75.49%0.08937%0.368CS..Hα-helixtrans-63.8-37.4177.9-171.4149000112.8A355 R358 F359 L362 D373 L374 V375A355-L377 HydrophobicContact CB-CD2 4.28Å; R358-L377 HydrophobicContact CB-CD1 3.97Å; R358-L377 HydrophobicContact CB-CD2 3.9Å; R358-L377 HydrophobicContact CB-CG 4.01Å; F359-L377 VanDerWaalsContact CA-CD1 3.46Å; F359-L377 HydrophobicContact CB-CD1 4.04Å; L362-L377 HydrophobicContact CB-CD1 4.1Å; L362-L377 HydrophobicContact CD2-CD1 3.8Å; D373-L377 VanDerWaalsContact O-CB 3.27Å; D373-L377 WeakPolarHBondContact O-CB 3.19Å; D373-L377 PolarHBondContact O-N 3.2Å; L374-L377 PolarHBondContact O-N 3.34Å; V375-L377 VanDerWaalsContact C-N 3.3Å; V375-L377 PolarHBondContact O-N 3.37Å
378L73.2Confident64Low4 Ų470.8 Ų70.82%0.02135%0.347CS..Hα-helixtrans-74-37.2174.3-66.4-179.6000112L340 Y345 L347 A355 L374 V375 A376 D380 Q381L340-L378 HydrophobicContact CD1-CD1 4.24Å; L340-L378 HydrophobicContact CD1-CD2 4.28Å; L340-L378 HydrophobicContact CD2-CD1 3.72Å; L340-L378 HydrophobicContact CD2-CG 4.44Å; Y345-L378 HydrophobicContact CD1-CD1 3.54Å; Y345-L378 HydrophobicContact CD2-CD1 3.71Å; Y345-L378 HydrophobicContact CE1-CD1 3.87Å; Y345-L378 HydrophobicContact CE2-CD1 4.04Å; Y345-L378 HydrophobicContact CG-CD1 3.44Å; Y345-L378 VanDerWaalsContact CG-CD1 3.44Å; L347-L378 HydrophobicContact CD1-CD2 3.98Å; L347-L378 HydrophobicContact CD2-CD2 4.41Å; A355-L378 HydrophobicContact CB-CD2 3.97Å; L374-L378 WeakPolarHBondContact O-CG 3.29Å; L374-L378 PolarHBondContact O-N 3Å; L374-L378 VanDerWaalsContact O-N 3.1Å; V375-L378 PolarHBondContact O-N 2.89Å; A376-L378 VanDerWaalsContact C-N 3.32Å; A376-L378 PolarHBondContact O-N 3.4Å; L378-D380 VanDerWaalsContact C-N 3.27Å; L378-D380 PolarHBondContact O-N 2.8Å; L378-Q381 WeakPolarHBondContact O-CB 3.31Å; L378-Q381 PolarHBondContact O-N 3.26Å; L378-Q381 VanDerWaalsContact O-N 3.13Å
379A64.5Low64Low45 Ų4568 Ų6837%0.37233%0.332SS..Hα-helixtrans-61.3-36.3175.900000112.1V375 A376 Q381 Y382 R383V375-A379 WeakPolarHBondContact O-CB 3.27Å; V375-A379 PolarHBondContact O-N 2.75Å; A376-A379 PolarHBondContact O-N 3.41Å; A379-Q381 VanDerWaalsContact C-N 3.28Å; A379-Q381 PolarHBondContact O-N 3.04Å; A379-Y382 PolarHBondContact O-N 2.86Å; A379-R383 PolarHBondContact O-N 2.81Å
380D56.5Low64Low72 Ų7271.1 Ų71.139%0.38535%0.346SS..Hα-helixtrans-67.4-26.6177.1-140.622.4000112.5A376 L378 Y382 R383 E384A376-D380 PolarHBondContact O-N 3.38Å; L378-D380 VanDerWaalsContact C-N 3.27Å; L378-D380 PolarHBondContact O-N 2.8Å; D380-Y382 VanDerWaalsContact C-N 3.35Å; D380-R383 PolarHBondContact O-N 3.22Å; D380-E384 PolarHBondContact O-N 2.84Å
381Q53.3Low64.2Low37 Ų3769.9 Ų69.917%0.17334%0.337CS..Hα-helixtrans-70.1-31.6177.6-162.3177.5-11.400112.6L378 A379L378-Q381 WeakPolarHBondContact O-CB 3.31Å; L378-Q381 PolarHBondContact O-N 3.26Å; L378-Q381 VanDerWaalsContact O-N 3.13Å; A379-Q381 VanDerWaalsContact C-N 3.28Å; A379-Q381 PolarHBondContact O-N 3.04Å
382Y46.8Very low64.5Low176 Ų17668.8 Ų68.869%0.6934%0.337SS*.Hα-helixtrans-83.6-16.3176.5-74.6-83.5000113.2A379 D380A379-Y382 PolarHBondContact O-N 2.86Å; D380-Y382 VanDerWaalsContact C-N 3.35Å
383R46.8Very low65.2Low101 Ų10166 Ų6638%0.38133%0.33SS..Hα-helixtrans-88.5-40.1-176.8-76.5-178.2177.5-176.2-0.7114.8A379 D380 E385 T386A379-R383 PolarHBondContact O-N 2.81Å; D380-R383 PolarHBondContact O-N 3.22Å; R383-E385 PolarHBondContact O-N 3.5Å; R383-E385 VanDerWaalsContact O-N 3.14Å; R383-T386 PolarHBondContact O-N 2.59Å
384E44.2Very low65.7Low102 Ų10267.4 Ų67.448%0.47734%0.336SS..THydrogen-bonded Turntrans-66.1-17.6-173-77.8-174.9142.200115R358 D380 K390R358-E384 IonicContact CZ-OE2 3.1Å; R358-E384 IonicContact NH1-OE2 3.3Å; R358-E384 IonicContact NH2-OE2 3.89Å; R358-E384 PolarHBondContact NH2-OE2 2.84Å; D380-E384 PolarHBondContact O-N 2.84Å; E384-K390 WeakPolarHBondContact O-CE 3.29Å; E384-K390 PolarHBondContact O-NZ 2.9Å
385E40.6Very low66.2Low173 Ų17373.6 Ų73.681%0.80837%0.365SS*.THydrogen-bonded Turntrans-89.5-11-177.6-74.7-170161.100114.8R383R383-E385 PolarHBondContact O-N 3.5Å; R383-E385 VanDerWaalsContact O-N 3.14Å
386T42.5Very low66.8Low79 Ų7972.7 Ų72.749%0.48536%0.36SS..SBendtrans-12511.7-166.653.80000115.8R383R383-T386 PolarHBondContact O-N 2.59Å
387E50.2Low67.8Low80 Ų8078.4 Ų78.437%0.37438%0.381SS..  trans-84128.3-178.9-69.1-178.4169.600113.6K390E387-K390 HydrophobicContact CB-CG 3.96Å
388K55Low68.4Low93 Ų9385.2 Ų85.240%0.40441%0.407SS..SBendtrans-61.6-39.8176.2-175.3170.8170.4111.20113.2E413K388-E413 HydrophobicContact CB-CG 4.47Å; K388-E413 HydrophobicContact CD-CG 4.32Å; K388-E413 VanDerWaalsContact CD-OE1 3.26Å; K388-E413 WeakPolarHBondContact CD-OE1 3.35Å; K388-E413 WeakPolarHBondContact CE-OE1 3.36Å; K388-E413 WeakPolarHBondContact CE-OE2 3.33Å; K388-E413 VanDerWaalsContact CG-CD 3.45Å; K388-E413 HydrophobicContact CG-CG 3.42Å; K388-E413 VanDerWaalsContact CG-CG 3.42Å; K388-E413 WeakPolarHBondContact CG-OE1 2.89Å; K388-E413 IonicContact NZ-OE1 3.5Å; K388-E413 PolarHBondContact NZ-OE1 2.83Å; K388-E413 IonicContact NZ-OE2 2.9Å; K388-E413 PolarHBondContact NZ-OE2 2.85Å; K388-E413 WeakPolarHBondContact O-CG 3.4Å; K388-E413 PolarHBondContact O-N 3.39Å
389Y68.7Low69Low65 Ų6587.7 Ų87.726%0.25542%0.424SS..SBendtrans-128.6130.1174.4-66.2-76.2000107.8I410 I411 N412 L439 V494Y389-I410 HydrophobicContact CD1-CG2 3.86Å; Y389-I410 HydrophobicContact CG-CG2 4.25Å; Y389-I411 CarbonylContact C-O 3.55Å; Y389-I411 WeakPolarHBondContact CA-O 3.17Å; Y389-N412 HydrophobicContact CD1-CB 4.11Å; Y389-N412 HydrophobicContact CE1-CB 3.95Å; Y389-L439 HydrophobicContact CD1-CD2 3.74Å; Y389-L439 HydrophobicContact CD2-CD2 3.98Å; Y389-L439 HydrophobicContact CE1-CD2 3.74Å; Y389-L439 HydrophobicContact CE2-CD2 3.97Å; Y389-L439 HydrophobicContact CG-CD2 3.87Å; Y389-V494 WeakPolarHBondContact O-CG1 3.3Å
390K78.4Confident69.7Low75 Ų7589.9 Ų89.933%0.32644%0.437SS..EExtended strand (participates in β ladder)trans-111.7128.4177.7-60.3-174.1-174-171.60109.9E384 E387 A392 I410 I411E384-K390 WeakPolarHBondContact O-CE 3.29Å; E384-K390 PolarHBondContact O-NZ 2.9Å; E387-K390 HydrophobicContact CB-CG 3.96Å; K390-A392 PolarHBondContact O-N 3.1Å; K390-I410 CarbonylContact O-C 3.51Å; K390-I410 WeakPolarHBondContact O-CA 3.49Å; K390-I411 HydrophobicContact CB-CB 4.31Å; K390-I411 PolarHBondContact N-O 2.99Å; K390-I411 PolarHBondContact O-N 3.38Å
391L85.6Confident70.7Confident27 Ų2794 Ų9414%0.14146%0.459CS..EExtended strand (participates in β ladder)trans-65115.5168.5-177.470.7000108.5F394 V408 A490 K491L391-F394 HydrophobicContact CD2-CD1 4.22Å; L391-V408 HydrophobicContact CD1-CG1 3.69Å; L391-A490 HydrophobicContact CD1-CB 4.22Å; L391-A490 HydrophobicContact CD2-CB 3.49Å; L391-A490 VanDerWaalsContact CD2-CB 3.49Å; L391-K491 HydrophobicContact CD2-CG 4.09Å
392A86.7Confident72.1Confident47 Ų4794 Ų9439%0.38847%0.469SS..EExtended strand (participates in β ladder)trans-85.1-52.2177.500000111.8K390 S409 I411K390-A392 PolarHBondContact O-N 3.1Å; A392-S409 WeakPolarHBondContact CB-OG 3.45Å; A392-S409 PolarHBondContact N-O 3.33Å; A392-I411 HydrophobicContact CB-CD1 4.06Å; A392-I411 HydrophobicContact CB-CG1 3.97Å
393D87.8Confident74Confident103 Ų10393.6 Ų93.655%0.55147%0.467SS*.EExtended strand (participates in β ladder)trans-164.4157.7-178.1-156.9-5.3000110S409D393-S409 WeakPolarHBondContact CA-OG 3.43Å; D393-S409 WeakPolarHBondContact CB-OG 3.39Å; D393-S409 PolarHBondContact N-O 2.66Å; D393-S409 PolarHBondContact N-OG 2.93Å; D393-S409 PolarHBondContact O-N 2.79Å; D393-S409 PolarHBondContact O-OG 2.85Å
394F90.4Very high76.2Confident32 Ų3289.2 Ų89.214%0.1445%0.451CS..EExtended strand (participates in β ladder)trans-146.6149.7167.873.2-82.7000112L391 V396 I407 V408 I431 L486 H487 A490L391-F394 HydrophobicContact CD2-CD1 4.22Å; F394-V396 HydrophobicContact CD2-CG2 3.73Å; F394-V396 HydrophobicContact CE2-CG2 3.76Å; F394-I407 CarbonylContact C-O 3.59Å; F394-I407 WeakPolarHBondContact CA-O 3.41Å; F394-I407 WeakPolarHBondContact CB-O 3.33Å; F394-V408 HydrophobicContact CB-CB 4.4Å; F394-V408 HydrophobicContact CB-CG1 4.41Å; F394-V408 HydrophobicContact CB-CG2 3.98Å; F394-I431 HydrophobicContact CD2-CD1 3.87Å; F394-I431 HydrophobicContact CD2-CG1 4.16Å; F394-I431 HydrophobicContact CE2-CD1 3.75Å; F394-L486 HydrophobicContact CE2-CB 3.88Å; F394-L486 HydrophobicContact CZ-CB 3.81Å; F394-H487 HydrophobicContact CE1-CB 3.72Å; F394-H487 AromaticContact CE1-CG 3.65Å; F394-H487 AromaticContact CE1-ND1 3.52Å; F394-H487 HydrophobicContact CZ-CB 3.99Å; F394-A490 HydrophobicContact CD1-CB 4.41Å; F394-A490 HydrophobicContact CE1-CB 4.47Å
395Q92.5Very high78.5Confident131 Ų13185.2 Ų85.261%0.61244%0.437SS*.EExtended strand (participates in β ladder)trans-122.2131.5173.5-176-179.28.900109.2A406 I407Q395-A406 CarbonylContact O-C 3.5Å; Q395-A406 VanDerWaalsContact O-CA 3.29Å; Q395-A406 WeakPolarHBondContact O-CA 3.18Å; Q395-I407 HydrophobicContact CB-CB 4.45Å; Q395-I407 PolarHBondContact N-O 3.36Å; Q395-I407 PolarHBondContact O-N 2.99Å
396V92Very high81.1Confident37 Ų3777 Ų7722%0.22440%0.399CS..EExtended strand (participates in β ladder)trans-110.3132.4173.1-177.90000110.1F394 G405 I431 L486F394-V396 HydrophobicContact CD2-CG2 3.73Å; F394-V396 HydrophobicContact CE2-CG2 3.76Å; V396-G405 CarbonylContact C-O 3.47Å; V396-G405 WeakPolarHBondContact CA-O 3.5Å; V396-I431 HydrophobicContact CG2-CD1 3.79Å; V396-I431 HydrophobicContact CG2-CG1 3.93Å; V396-L486 HydrophobicContact CG2-CD1 4.27Å
397Q91Very high83.7Confident150 Ų15076.8 Ų76.870%0.70139%0.394SS*.EExtended strand (participates in β ladder)trans-102.8115.2167.7-173.2176.9600109.5G405Q397-G405 PolarHBondContact N-O 2.89Å; Q397-G405 PolarHBondContact O-N 3.16Å
398Y89.5Confident85.8Confident161 Ų16173 Ų7363%0.63138%0.376SS*.  trans-95.8134.5179.1-176.9-95.8000112.7Q404Y398-Q404 HydrophobicContact CD2-CG 4.45Å
399S85.4Confident87.6Confident56 Ų5669.4 Ų69.439%0.39236%0.363SS..  trans-133123173.6-178.70000110N401 Q404S399-N401 VanDerWaalsContact C-N 3.26Å; S399-N401 PolarHBondContact O-N 3.31Å; S399-Q404 PolarHBondContact O-NE2 2.89Å; S399-Q404 PolarHBondContact O-OE1 3.07Å
400S80.6Confident88.6Confident91 Ų9166.3 Ų66.364%0.63635%0.351SS*.THydrogen-bonded Turntrans-64.7-25.3-172.763.80000114.5
401N77.7Confident89Confident158 Ų15864.8 Ų64.885%0.84535%0.346SS*.THydrogen-bonded Turntrans-129.737-175.7-78-18.4000112.4S399S399-N401 VanDerWaalsContact C-N 3.26Å; S399-N401 PolarHBondContact O-N 3.31Å
402G82.7Confident88.7Confident38 Ų3864.4 Ų64.439%0.39234%0.344SS..SBendtrans-159.1-169.2179.500000112.9Q404G402-Q404 PolarHBondContact O-NE2 3.3Å; G402-Q404 VanDerWaalsContact O-NE2 3.11Å
403Y86.7Confident87.8Confident166 Ų16667.9 Ų67.965%0.65135%0.352SS*.PPolyproline II helixtrans-70.4145.4170.7-64.2-82.8000110.4I423 G424Y403-I423 HydrophobicContact CD1-CD1 4.46Å; Y403-I423 HydrophobicContact CD2-CD1 4.5Å; Y403-I423 HydrophobicContact CG-CD1 4.19Å; Y403-G424 WeakPolarHBondContact CA-O 3.32Å
404Q92.1Very high87.1Confident10 Ų1069.9 Ų69.95%0.04736%0.358CS..EExtended strand (participates in β ladder)trans-87.8140.8171.8-42.5-49.5-34.500108.1Y398 S399 G402 I423 G424 G426 A430Y398-Q404 HydrophobicContact CD2-CG 4.45Å; S399-Q404 PolarHBondContact O-NE2 2.89Å; S399-Q404 PolarHBondContact O-OE1 3.07Å; G402-Q404 PolarHBondContact O-NE2 3.3Å; G402-Q404 VanDerWaalsContact O-NE2 3.11Å; Q404-I423 CarbonylContact O-C 3.48Å; Q404-I423 WeakPolarHBondContact O-CA 3.4Å; Q404-G424 PolarHBondContact N-O 3.32Å; Q404-G424 PolarHBondContact O-N 2.89Å; Q404-G426 VanDerWaalsContact CG-C 3.46Å; Q404-A430 HydrophobicContact CB-CB 4.26Å; Q404-A430 WeakPolarHBondContact O-CB 3.48Å
405G92.5Very high86.4Confident17 Ų1774.7 Ų74.718%0.17539%0.385CS..EExtended strand (participates in β ladder)trans-103.1143.7173.400000110.4V396 Q397V396-G405 CarbonylContact C-O 3.47Å; V396-G405 WeakPolarHBondContact CA-O 3.5Å; Q397-G405 PolarHBondContact N-O 2.89Å; Q397-G405 PolarHBondContact O-N 3.16Å
406A95.8Very high85.9Confident1 Ų173.5 Ų73.51%0.00838%0.38CS..EExtended strand (participates in β ladder)trans-126.3147.3166.100000110.4Q395 V408 S421 Q422 A430 I431 T434Q395-A406 CarbonylContact O-C 3.5Å; Q395-A406 VanDerWaalsContact O-CA 3.29Å; Q395-A406 WeakPolarHBondContact O-CA 3.18Å; A406-V408 HydrophobicContact CB-CG2 4.41Å; A406-S421 WeakPolarHBondContact O-CA 3.37Å; A406-S421 WeakPolarHBondContact O-CB 3.3Å; A406-S421 PolarHBondContact O-OG 3.39Å; A406-Q422 PolarHBondContact N-O 3.09Å; A406-Q422 PolarHBondContact O-N 3.48Å; A406-A430 VanDerWaalsContact CB-C 3.47Å; A406-A430 HydrophobicContact CB-CB 3.79Å; A406-I431 HydrophobicContact CB-CG1 3.95Å; A406-T434 PolarHBondContact O-OG1 3.27Å
407I95.9Very high85.8Confident74 Ų7476 Ų7638%0.37940%0.395SS..EExtended strand (participates in β ladder)trans-119.6121.2165.5-56.7174.1000104.7F394 Q395 V419 A420F394-I407 CarbonylContact C-O 3.59Å; F394-I407 WeakPolarHBondContact CA-O 3.41Å; F394-I407 WeakPolarHBondContact CB-O 3.33Å; Q395-I407 HydrophobicContact CB-CB 4.45Å; Q395-I407 PolarHBondContact N-O 3.36Å; Q395-I407 PolarHBondContact O-N 2.99Å; I407-V419 HydrophobicContact CG2-CG1 3.72Å; I407-A420 WeakPolarHBondContact CA-O 3.27Å
408V94.9Very high85.8Confident0 Ų072.3 Ų72.30%038%0.378CS..EExtended strand (participates in β ladder)trans-121.2141.3-178.1-177.90000108.3L391 F394 A406 I410 V419 A420 I431 T434 I435 L438L391-V408 HydrophobicContact CD1-CG1 3.69Å; F394-V408 HydrophobicContact CB-CB 4.4Å; F394-V408 HydrophobicContact CB-CG1 4.41Å; F394-V408 HydrophobicContact CB-CG2 3.98Å; A406-V408 HydrophobicContact CB-CG2 4.41Å; V408-I410 HydrophobicContact CG1-CG1 4.21Å; V408-V419 WeakPolarHBondContact O-CA 3.11Å; V408-A420 PolarHBondContact N-O 3.48Å; V408-A420 VanDerWaalsContact N-O 3.14Å; V408-A420 PolarHBondContact O-N 3.23Å; V408-A420 VanDerWaalsContact O-N 3.13Å; V408-I431 HydrophobicContact CG2-CG2 4.21Å; V408-T434 HydrophobicContact CB-CG2 3.65Å; V408-T434 HydrophobicContact CG2-CG2 3.72Å; V408-I435 HydrophobicContact CG1-CG1 4.03Å; V408-L438 HydrophobicContact CB-CD1 4.04Å; V408-L438 HydrophobicContact CG1-CD1 4.03Å
409S93.4Very high86Confident18 Ų1869 Ų6913%0.12637%0.374CS..EExtended strand (participates in β ladder)trans-120.3128.3172.1620000110.8A392 D393 Q418A392-S409 WeakPolarHBondContact CB-OG 3.45Å; A392-S409 PolarHBondContact N-O 3.33Å; D393-S409 WeakPolarHBondContact CA-OG 3.43Å; D393-S409 WeakPolarHBondContact CB-OG 3.39Å; D393-S409 PolarHBondContact N-O 2.66Å; D393-S409 PolarHBondContact N-OG 2.93Å; D393-S409 PolarHBondContact O-N 2.79Å; D393-S409 PolarHBondContact O-OG 2.85Å; S409-Q418 CarbonylContact C-O 3.53Å; S409-Q418 WeakPolarHBondContact CA-O 3.46Å
410I89.6Confident86.4Confident1 Ų167 Ų671%0.00536%0.362CS..EExtended strand (participates in β ladder)trans-121.8136.5178.7-67.2175.7000108.2Y389 K390 V408 Q418 I435 L438 L439 V494Y389-I410 HydrophobicContact CD1-CG2 3.86Å; Y389-I410 HydrophobicContact CG-CG2 4.25Å; K390-I410 CarbonylContact O-C 3.51Å; K390-I410 WeakPolarHBondContact O-CA 3.49Å; V408-I410 HydrophobicContact CG1-CG1 4.21Å; I410-Q418 PolarHBondContact N-O 3.46Å; I410-Q418 PolarHBondContact O-N 2.93Å; I410-I435 HydrophobicContact CD1-CG1 4.3Å; I410-I435 HydrophobicContact CD1-CG2 4.06Å; I410-L438 HydrophobicContact CB-CD1 4.29Å; I410-L438 HydrophobicContact CD1-CB 4.13Å; I410-L438 HydrophobicContact CD1-CD1 3.73Å; I410-L438 HydrophobicContact CG1-CD1 3.84Å; I410-L439 HydrophobicContact CD1-CD2 4.38Å; I410-L439 HydrophobicContact CD1-CG 4.45Å; I410-V494 HydrophobicContact CD1-CG2 4.05Å
411I86.1Confident87.1Confident42 Ų4265.9 Ų65.922%0.21535%0.353CS..EExtended strand (participates in β ladder)trans-90.1122.1167.5-59.4165.6000107Y389 K390 A392 N415 E416Y389-I411 CarbonylContact C-O 3.55Å; Y389-I411 WeakPolarHBondContact CA-O 3.17Å; K390-I411 HydrophobicContact CB-CB 4.31Å; K390-I411 PolarHBondContact N-O 2.99Å; K390-I411 PolarHBondContact O-N 3.38Å; A392-I411 HydrophobicContact CB-CD1 4.06Å; A392-I411 HydrophobicContact CB-CG1 3.97Å; I411-N415 WeakPolarHBondContact CG2-OD1 3.37Å; I411-E416 WeakPolarHBondContact CA-O 3.46Å
412N79.1Confident88Confident19 Ų1961.5 Ų61.510%0.10233%0.328CS..  trans-84-178.217970.28.1000112.4Y389 E414 N415 E416 Q418Y389-N412 HydrophobicContact CD1-CB 4.11Å; Y389-N412 HydrophobicContact CE1-CB 3.95Å; N412-E414 PolarHBondContact O-N 3.49Å; N412-E414 WeakPolarHBondContact OD1-CA 3.24Å; N412-E414 PolarHBondContact OD1-N 3.3Å; N412-N415 PolarHBondContact O-N 2.94Å; N412-N415 PolarHBondContact OD1-N 3.43Å; N412-E416 PolarHBondContact N-O 2.77Å; N412-E416 WeakPolarHBondContact OD1-CB 3.36Å; N412-E416 PolarHBondContact OD1-N 2.95Å; N412-E416 PolarHBondContact OD1-O 2.92Å; N412-Q418 PolarHBondContact ND2-NE2 3.33Å
413E68Low88.5Confident121 Ų12164.3 Ų64.357%0.56533%0.333SS*.THydrogen-bonded Turntrans-57.8-30.2177.2-65.6-176.8125.400113.7K388 N415K388-E413 HydrophobicContact CB-CG 4.47Å; K388-E413 HydrophobicContact CD-CG 4.32Å; K388-E413 VanDerWaalsContact CD-OE1 3.26Å; K388-E413 WeakPolarHBondContact CD-OE1 3.35Å; K388-E413 WeakPolarHBondContact CE-OE1 3.36Å; K388-E413 WeakPolarHBondContact CE-OE2 3.33Å; K388-E413 VanDerWaalsContact CG-CD 3.45Å; K388-E413 HydrophobicContact CG-CG 3.42Å; K388-E413 VanDerWaalsContact CG-CG 3.42Å; K388-E413 WeakPolarHBondContact CG-OE1 2.89Å; K388-E413 IonicContact NZ-OE1 3.5Å; K388-E413 PolarHBondContact NZ-OE1 2.83Å; K388-E413 IonicContact NZ-OE2 2.9Å; K388-E413 PolarHBondContact NZ-OE2 2.85Å; K388-E413 WeakPolarHBondContact O-CG 3.4Å; K388-E413 PolarHBondContact O-N 3.39Å; E413-N415 PolarHBondContact O-N 3.16Å
414E73.8Confident88.7Confident145 Ų14556.6 Ų56.668%0.67830%0.304SS*.THydrogen-bonded Turntrans-83.26.8179.2-60.6-175.8172.400112.4N412 E416N412-E414 PolarHBondContact O-N 3.49Å; N412-E414 WeakPolarHBondContact OD1-CA 3.24Å; N412-E414 PolarHBondContact OD1-N 3.3Å; E414-E416 HydrophobicContact CB-CG 4.08Å; E414-E416 PolarHBondContact O-N 2.94Å
415N76.4Confident88.5Confident132 Ų13260.7 Ų60.771%0.70633%0.333SS*.SBendtrans61.824-176.6-142.916.1000113I411 N412 E413I411-N415 WeakPolarHBondContact CG2-OD1 3.37Å; N412-N415 PolarHBondContact O-N 2.94Å; N412-N415 PolarHBondContact OD1-N 3.43Å; E413-N415 PolarHBondContact O-N 3.16Å
416E81.9Confident88.4Confident107 Ų10761.1 Ų61.150%0.534%0.338SS..PPolyproline II helixtrans-92.6135.4175.1-56.8-170.9144.200110.3I411 N412 E414I411-E416 WeakPolarHBondContact CA-O 3.46Å; N412-E416 PolarHBondContact N-O 2.77Å; N412-E416 WeakPolarHBondContact OD1-CB 3.36Å; N412-E416 PolarHBondContact OD1-N 2.95Å; N412-E416 PolarHBondContact OD1-O 2.92Å; E414-E416 HydrophobicContact CB-CG 4.08Å; E414-E416 PolarHBondContact O-N 2.94Å
417T89.6Confident88.3Confident89 Ų8962.2 Ų62.255%0.54635%0.346SS..EExtended strand (participates in β ladder)trans-84.6117.5175.2-50.90000110.4V419T417-V419 HydrophobicContact CG2-CG2 4.31Å
418Q90Very high88.2Confident72 Ų7260.8 Ų60.834%0.33634%0.339SS..EExtended strand (participates in β ladder)trans-103.8141172.9-62-177.3-22.300109.7S409 I410 N412 L438S409-Q418 CarbonylContact C-O 3.53Å; S409-Q418 WeakPolarHBondContact CA-O 3.46Å; I410-Q418 PolarHBondContact N-O 3.46Å; I410-Q418 PolarHBondContact O-N 2.93Å; N412-Q418 PolarHBondContact ND2-NE2 3.33Å; Q418-L438 HydrophobicContact CB-CD2 3.77Å
419V93.9Very high88Confident92 Ų9264.1 Ų64.156%0.55835%0.354SS*.EExtended strand (participates in β ladder)trans-132.4132.6-177.2-173.40000109.4I407 V408 T417I407-V419 HydrophobicContact CG2-CG1 3.72Å; V408-V419 WeakPolarHBondContact O-CA 3.11Å; T417-V419 HydrophobicContact CG2-CG2 4.31Å
420A93.7Very high88.1Confident15 Ų1563.3 Ų63.312%0.12435%0.348CS..EExtended strand (participates in β ladder)trans-136.1172.8174.200000110.8I407 V408 T434 E437 L438I407-A420 WeakPolarHBondContact CA-O 3.27Å; V408-A420 PolarHBondContact N-O 3.48Å; V408-A420 VanDerWaalsContact N-O 3.14Å; V408-A420 PolarHBondContact O-N 3.23Å; V408-A420 VanDerWaalsContact O-N 3.13Å; A420-T434 HydrophobicContact CB-CG2 3.85Å; A420-T434 WeakPolarHBondContact O-CG2 3.02Å; A420-E437 HydrophobicContact CB-CB 4.4Å; A420-E437 HydrophobicContact CB-CG 4.15Å; A420-L438 HydrophobicContact CB-CD1 4.29Å; A420-L438 HydrophobicContact CB-CD2 3.63Å; A420-L438 HydrophobicContact CB-CG 3.58Å
421S95.7Very high88.4Confident66 Ų6663.2 Ų63.246%0.46235%0.348SS..EExtended strand (participates in β ladder)trans-149.1124.6175.1-174.60000111.7A406A406-S421 WeakPolarHBondContact O-CA 3.37Å; A406-S421 WeakPolarHBondContact O-CB 3.3Å; A406-S421 PolarHBondContact O-OG 3.39Å
422Q95.7Very high88.8Confident67 Ų6761.2 Ų61.231%0.31334%0.338SS..EExtended strand (participates in β ladder)trans-127.3165.6174-71.4-62.5-38.900112.1A406 N433 T434 E437A406-Q422 PolarHBondContact N-O 3.09Å; A406-Q422 PolarHBondContact O-N 3.48Å; Q422-N433 HydrophobicContact CB-CB 3.67Å; Q422-N433 HydrophobicContact CG-CB 4.22Å; Q422-N433 WeakPolarHBondContact CG-O 3.34Å; Q422-T434 WeakPolarHBondContact CB-OG1 3.3Å; Q422-T434 PolarHBondContact N-OG1 2.89Å; Q422-E437 HydrophobicContact CG-CB 4.14Å; Q422-E437 VanDerWaalsContact CG-OE2 3.22Å; Q422-E437 WeakPolarHBondContact CG-OE2 3.39Å; Q422-E437 PolarHBondContact NE2-OE1 3.18Å; Q422-E437 PolarHBondContact NE2-OE2 2.92Å
423I94.8Very high89.5Confident97 Ų9762.6 Ų62.650%0.49735%0.345SS..EExtended strand (participates in β ladder)trans-103.5154.2172.161.8171.6000110.7Y403 Q404 N433Y403-I423 HydrophobicContact CD1-CD1 4.46Å; Y403-I423 HydrophobicContact CD2-CD1 4.5Å; Y403-I423 HydrophobicContact CG-CD1 4.19Å; Q404-I423 CarbonylContact O-C 3.48Å; Q404-I423 WeakPolarHBondContact O-CA 3.4Å; I423-N433 PolarHBondContact O-ND2 2.84Å
424G89.8Confident90.8Very high4 Ų456.9 Ų56.94%0.04132%0.318CS..EExtended strand (participates in β ladder)trans-146.3164.4176.300000112.3Y403 Q404 G426Y403-G424 WeakPolarHBondContact CA-O 3.32Å; Q404-G424 PolarHBondContact N-O 3.32Å; Q404-G424 PolarHBondContact O-N 2.89Å; G424-G426 PolarHBondContact O-N 3.06Å
425S88.6Confident91.7Very high95 Ų9550 Ų5066%0.66429%0.286SS*.SBendtrans-67.4-23.5174.351.70000112.6
426G90.4Very high92.4Very high27 Ų2744.3 Ų44.328%0.27826%0.256SS..SBendtrans-142.8168.9173.700000111.1Q404 G424 I428 Q429 A430Q404-G426 VanDerWaalsContact CG-C 3.46Å; G424-G426 PolarHBondContact O-N 3.06Å; G426-I428 VanDerWaalsContact C-N 3.35Å; G426-I428 PolarHBondContact O-N 2.82Å; G426-Q429 PolarHBondContact O-N 2.96Å; G426-A430 PolarHBondContact O-N 3.05Å
427S93Very high92.8Very high24 Ų2443.6 Ų43.617%0.16825%0.252CS..Hα-helixtrans-58.9-44.2-177-57.20000112.6A430 I431S427-A430 PolarHBondContact O-N 3.46Å; S427-I431 VanDerWaalsContact O-CG1 3.32Å; S427-I431 WeakPolarHBondContact O-CG1 3.41Å; S427-I431 PolarHBondContact O-N 3.07Å
428I93.4Very high92.8Very high44 Ų4440.2 Ų40.223%0.22623%0.231CC..Hα-helixtrans-60.9-47.8176.8-66.5159.7000110.2G426 A430 I431 Y432 Y448 L486G426-I428 VanDerWaalsContact C-N 3.35Å; G426-I428 PolarHBondContact O-N 2.82Å; I428-A430 VanDerWaalsContact C-N 3.3Å; I428-A430 PolarHBondContact O-N 2.71Å; I428-I431 WeakPolarHBondContact O-CB 3.27Å; I428-I431 PolarHBondContact O-N 3.42Å; I428-Y432 HydrophobicContact CG2-CD1 4.32Å; I428-Y432 HydrophobicContact CG2-CD2 3.77Å; I428-Y432 HydrophobicContact CG2-CE1 3.86Å; I428-Y432 HydrophobicContact CG2-CE2 3.28Å; I428-Y432 HydrophobicContact CG2-CG 4.28Å; I428-Y432 WeakPolarHBondContact O-CD1 3.48Å; I428-Y432 VanDerWaalsContact O-CG 3.28Å; I428-Y432 PolarHBondContact O-N 3.1Å; I428-Y448 HydrophobicContact CD1-CE1 3.95Å; I428-Y448 HydrophobicContact CD1-CE2 4.18Å; I428-Y448 WeakPolarHBondContact CD1-OH 3.34Å; I428-Y448 HydrophobicContact CG2-CD2 4.46Å; I428-Y448 HydrophobicContact CG2-CE2 4.02Å; I428-L486 HydrophobicContact CG1-CD2 3.84Å
429Q92.2Very high92.5Very high70 Ų7038.1 Ų38.133%0.32722%0.222SC..Hα-helixtrans-62.4-38.6178.3-167.766.653.500112G426 Y432 N433G426-Q429 PolarHBondContact O-N 2.96Å; Q429-Y432 PolarHBondContact O-N 3.48Å; Q429-N433 PolarHBondContact NE2-OD1 2.77Å; Q429-N433 VanDerWaalsContact O-CB 3.3Å; Q429-N433 WeakPolarHBondContact O-CB 3.39Å; Q429-N433 PolarHBondContact O-N 3.4Å; Q429-N433 PolarHBondContact O-ND2 3.37Å; Q429-N433 PolarHBondContact O-OD1 2.85Å
430A94.9Very high92Very high0 Ų042.5 Ų42.50%024%0.236CC..Hα-helixtrans-63.9-42.7176.900000111.2Q404 A406 G426 S427 I428 T434Q404-A430 HydrophobicContact CB-CB 4.26Å; Q404-A430 WeakPolarHBondContact O-CB 3.48Å; A406-A430 VanDerWaalsContact CB-C 3.47Å; A406-A430 HydrophobicContact CB-CB 3.79Å; G426-A430 PolarHBondContact O-N 3.05Å; S427-A430 PolarHBondContact O-N 3.46Å; I428-A430 VanDerWaalsContact C-N 3.3Å; I428-A430 PolarHBondContact O-N 2.71Å; A430-T434 WeakPolarHBondContact O-CB 3.24Å; A430-T434 PolarHBondContact O-N 2.95Å; A430-T434 VanDerWaalsContact O-N 3.1Å; A430-T434 PolarHBondContact O-OG1 2.9Å
431I95.5Very high91.3Very high0 Ų044.4 Ų44.40%024%0.242CC..Hα-helixtrans-59.9-50.8174-68165.3000110.1F394 V396 A406 V408 S427 I428 T434 I435 L486 A490F394-I431 HydrophobicContact CD2-CD1 3.87Å; F394-I431 HydrophobicContact CD2-CG1 4.16Å; F394-I431 HydrophobicContact CE2-CD1 3.75Å; V396-I431 HydrophobicContact CG2-CD1 3.79Å; V396-I431 HydrophobicContact CG2-CG1 3.93Å; A406-I431 HydrophobicContact CB-CG1 3.95Å; V408-I431 HydrophobicContact CG2-CG2 4.21Å; S427-I431 VanDerWaalsContact O-CG1 3.32Å; S427-I431 WeakPolarHBondContact O-CG1 3.41Å; S427-I431 PolarHBondContact O-N 3.07Å; I428-I431 WeakPolarHBondContact O-CB 3.27Å; I428-I431 PolarHBondContact O-N 3.42Å; I431-T434 WeakPolarHBondContact O-CA 3.32Å; I431-T434 WeakPolarHBondContact O-CB 3.42Å; I431-T434 PolarHBondContact O-N 3.12Å; I431-T434 VanDerWaalsContact O-N 3.08Å; I431-I435 HydrophobicContact CG2-CD1 3.74Å; I431-I435 HydrophobicContact CG2-CG1 4.42Å; I431-I435 WeakPolarHBondContact O-CG1 3.28Å; I431-I435 PolarHBondContact O-N 3.13Å; I431-L486 HydrophobicContact CD1-CB 3.97Å; I431-L486 HydrophobicContact CD1-CD2 4.4Å; I431-A490 HydrophobicContact CG2-CB 3.77Å
432Y94.6Very high90.9Very high0 Ų046.2 Ų46.20%025%0.247CC..Hα-helixtrans-63-47.3-177.3-66.6-4.2000112.2I428 Q429 T434 I435 D436 L445 Y448 V465 S489 Y493I428-Y432 HydrophobicContact CG2-CD1 4.32Å; I428-Y432 HydrophobicContact CG2-CD2 3.77Å; I428-Y432 HydrophobicContact CG2-CE1 3.86Å; I428-Y432 HydrophobicContact CG2-CE2 3.28Å; I428-Y432 HydrophobicContact CG2-CG 4.28Å; I428-Y432 WeakPolarHBondContact O-CD1 3.48Å; I428-Y432 VanDerWaalsContact O-CG 3.28Å; I428-Y432 PolarHBondContact O-N 3.1Å; Q429-Y432 PolarHBondContact O-N 3.48Å; Y432-T434 PolarHBondContact O-N 2.89Å; Y432-T434 VanDerWaalsContact O-N 3.16Å; Y432-I435 HydrophobicContact CD1-CD1 4.43Å; Y432-I435 CarbonylContact O-C 3.43Å; Y432-I435 PolarHBondContact O-N 2.75Å; Y432-D436 WeakPolarHBondContact O-CB 3.07Å; Y432-D436 VanDerWaalsContact O-CG 3.29Å; Y432-D436 PolarHBondContact O-N 2.88Å; Y432-L445 HydrophobicContact CD2-CD2 3.93Å; Y432-L445 HydrophobicContact CE2-CD1 4.12Å; Y432-L445 HydrophobicContact CE2-CD2 3.69Å; Y432-Y448 HydrophobicContact CE2-CD2 4.26Å; Y432-Y448 WeakPolarHBondContact OH-CD2 3.28Å; Y432-Y448 WeakPolarHBondContact OH-CE2 3.3Å; Y432-V465 VanDerWaalsContact OH-CG1 3.29Å; Y432-V465 WeakPolarHBondContact OH-CG1 3.41Å; Y432-S489 WeakPolarHBondContact CE1-O 3.38Å; Y432-S489 WeakPolarHBondContact OH-CB 2.97Å; Y432-S489 PolarHBondContact OH-O 3.38Å; Y432-Y493 AromaticContact CD1-CD1 3.9Å; Y432-Y493 HydrophobicContact CD1-CD1 3.9Å; Y432-Y493 AromaticContact CD1-CD2 3.37Å; Y432-Y493 HydrophobicContact CD1-CD2 3.37Å; Y432-Y493 HydrophobicContact CD1-CE1 4.37Å; Y432-Y493 AromaticContact CD1-CE2 3.87Å; Y432-Y493 HydrophobicContact CD1-CE2 3.87Å; Y432-Y493 AromaticContact CD1-CG 3.36Å; Y432-Y493 HydrophobicContact CD1-CG 3.36Å; Y432-Y493 AromaticContact CD2-CD2 3.35Å; Y432-Y493 HydrophobicContact CD2-CD2 3.35Å; Y432-Y493 AromaticContact CD2-CE2 3.18Å; Y432-Y493 HydrophobicContact CD2-CE2 3.18Å; Y432-Y493 HydrophobicContact CD2-CG 4.21Å; Y432-Y493 AromaticContact CD2-CZ 4Å; Y432-Y493 VanDerWaalsContact CE1-CB 3.41Å; Y432-Y493 HydrophobicContact CE1-CD1 4.48Å; Y432-Y493 AromaticContact CE1-CD2 3.42Å; Y432-Y493 HydrophobicContact CE1-CD2 3.42Å; Y432-Y493 VanDerWaalsContact CE1-CD2 3.42Å; Y432-Y493 HydrophobicContact CE1-CE2 4.26Å; Y432-Y493 AromaticContact CE1-CG 3.54Å; Y432-Y493 HydrophobicContact CE1-CG 3.54Å; Y432-Y493 AromaticContact CE2-CD2 3.35Å; Y432-Y493 HydrophobicContact CE2-CD2 3.35Å; Y432-Y493 AromaticContact CE2-CE2 3.6Å; Y432-Y493 HydrophobicContact CE2-CE2 3.6Å; Y432-Y493 HydrophobicContact CE2-CG 4.3Å; Y432-Y493 HydrophobicContact CG-CD1 4.12Å; Y432-Y493 AromaticContact CG-CD2 3.34Å; Y432-Y493 HydrophobicContact CG-CD2 3.34Å; Y432-Y493 HydrophobicContact CG-CE1 4.13Å; Y432-Y493 AromaticContact CG-CE2 3.32Å; Y432-Y493 HydrophobicContact CG-CE2 3.32Å; Y432-Y493 AromaticContact CG-CG 3.74Å; Y432-Y493 HydrophobicContact CG-CG 3.74Å; Y432-Y493 AromaticContact CG-CZ 3.77Å; Y432-Y493 AromaticContact CZ-CD2 3.38Å; Y432-Y493 AromaticContact CZ-CG 3.98Å
433N93.7Very high90.4Very high48 Ų4843.7 Ų43.726%0.25724%0.237SC..Hα-helixtrans-56.4-36174-68.4-3.4000111.9Q422 I423 Q429 E437Q422-N433 HydrophobicContact CB-CB 3.67Å; Q422-N433 HydrophobicContact CG-CB 4.22Å; Q422-N433 WeakPolarHBondContact CG-O 3.34Å; I423-N433 PolarHBondContact O-ND2 2.84Å; Q429-N433 PolarHBondContact NE2-OD1 2.77Å; Q429-N433 VanDerWaalsContact O-CB 3.3Å; Q429-N433 WeakPolarHBondContact O-CB 3.39Å; Q429-N433 PolarHBondContact O-N 3.4Å; Q429-N433 PolarHBondContact O-ND2 3.37Å; Q429-N433 PolarHBondContact O-OD1 2.85Å; N433-E437 PolarHBondContact O-N 3.01Å
434T95.2Very high90.1Very high0 Ų043.6 Ų43.60%023%0.234CC..Hα-helixtrans-72.9-38.1178.3-510000111.4A406 V408 A420 Q422 A430 I431 Y432 E437 L438A406-T434 PolarHBondContact O-OG1 3.27Å; V408-T434 HydrophobicContact CB-CG2 3.65Å; V408-T434 HydrophobicContact CG2-CG2 3.72Å; A420-T434 HydrophobicContact CB-CG2 3.85Å; A420-T434 WeakPolarHBondContact O-CG2 3.02Å; Q422-T434 WeakPolarHBondContact CB-OG1 3.3Å; Q422-T434 PolarHBondContact N-OG1 2.89Å; A430-T434 WeakPolarHBondContact O-CB 3.24Å; A430-T434 PolarHBondContact O-N 2.95Å; A430-T434 VanDerWaalsContact O-N 3.1Å; A430-T434 PolarHBondContact O-OG1 2.9Å; I431-T434 WeakPolarHBondContact O-CA 3.32Å; I431-T434 WeakPolarHBondContact O-CB 3.42Å; I431-T434 PolarHBondContact O-N 3.12Å; I431-T434 VanDerWaalsContact O-N 3.08Å; Y432-T434 PolarHBondContact O-N 2.89Å; Y432-T434 VanDerWaalsContact O-N 3.16Å; T434-E437 PolarHBondContact O-N 3.41Å; T434-L438 WeakPolarHBondContact O-CG 3.43Å; T434-L438 PolarHBondContact O-N 3.49Å
435I91.8Very high90.1Very high0 Ų046 Ų460%025%0.246CC..Hα-helixtrans-65.6-42.1173.3-65.2165.9000110.3V408 I410 I431 Y432 E437 L438 L439 A490 Y493 V494V408-I435 HydrophobicContact CG1-CG1 4.03Å; I410-I435 HydrophobicContact CD1-CG1 4.3Å; I410-I435 HydrophobicContact CD1-CG2 4.06Å; I431-I435 HydrophobicContact CG2-CD1 3.74Å; I431-I435 HydrophobicContact CG2-CG1 4.42Å; I431-I435 WeakPolarHBondContact O-CG1 3.28Å; I431-I435 PolarHBondContact O-N 3.13Å; Y432-I435 HydrophobicContact CD1-CD1 4.43Å; Y432-I435 CarbonylContact O-C 3.43Å; Y432-I435 PolarHBondContact O-N 2.75Å; I435-E437 VanDerWaalsContact C-N 3.32Å; I435-E437 PolarHBondContact O-N 2.87Å; I435-L438 WeakPolarHBondContact O-CB 3.3Å; I435-L438 PolarHBondContact O-N 3.49Å; I435-L438 VanDerWaalsContact O-N 3.15Å; I435-L439 HydrophobicContact CG2-CD1 3.62Å; I435-L439 HydrophobicContact CG2-CG 4.11Å; I435-L439 WeakPolarHBondContact O-CB 3.37Å; I435-L439 WeakPolarHBondContact O-CG 3.4Å; I435-L439 PolarHBondContact O-N 3.14Å; I435-A490 HydrophobicContact CD1-CB 4.48Å; I435-Y493 HydrophobicContact CB-CD1 4.02Å; I435-Y493 HydrophobicContact CB-CE1 4.37Å; I435-Y493 HydrophobicContact CD1-CD1 3.99Å; I435-Y493 HydrophobicContact CD1-CG 4.41Å; I435-Y493 HydrophobicContact CG2-CD1 3.81Å; I435-Y493 HydrophobicContact CG2-CE1 4.27Å; I435-V494 HydrophobicContact CD1-CG2 3.97Å; I435-V494 HydrophobicContact CG1-CG2 4.36Å; I435-V494 HydrophobicContact CG2-CG2 4.16Å
436D91.3Very high90Very high14 Ų1443.8 Ų43.88%0.07523%0.228CC..Hα-helixtrans-61.2-40.1176.4-70.9-27.2000112.2Y432 Q440 Q441 P443 Y493Y432-D436 WeakPolarHBondContact O-CB 3.07Å; Y432-D436 VanDerWaalsContact O-CG 3.29Å; Y432-D436 PolarHBondContact O-N 2.88Å; D436-Q440 WeakPolarHBondContact O-CA 3.4Å; D436-Q440 PolarHBondContact O-N 2.98Å; D436-Q441 HydrophobicContact CB-CG 4.21Å; D436-Q441 PolarHBondContact O-N 3.28Å; D436-Q441 WeakPolarHBondContact OD1-CG 3.47Å; D436-Q441 PolarHBondContact OD1-NE2 3.21Å; D436-P443 VanDerWaalsContact OD1-CD 3.31Å; D436-P443 WeakPolarHBondContact OD1-CD 3.2Å; D436-P443 WeakPolarHBondContact OD1-CG 3.3Å; D436-Y493 VanDerWaalsContact OD1-CE1 3.32Å; D436-Y493 WeakPolarHBondContact OD1-CE1 3.28Å; D436-Y493 PolarHBondContact OD1-OH 2.91Å; D436-Y493 PolarHBondContact OD2-OH 3.08Å
437E91.4Very high89.8Confident92 Ų9246.6 Ų46.643%0.4323%0.234SC..Hα-helixtrans-63.4-44.9172.5-178.4177.3-155.300111.7A420 Q422 N433 T434 I435 Q440A420-E437 HydrophobicContact CB-CB 4.4Å; A420-E437 HydrophobicContact CB-CG 4.15Å; Q422-E437 HydrophobicContact CG-CB 4.14Å; Q422-E437 VanDerWaalsContact CG-OE2 3.22Å; Q422-E437 WeakPolarHBondContact CG-OE2 3.39Å; Q422-E437 PolarHBondContact NE2-OE1 3.18Å; Q422-E437 PolarHBondContact NE2-OE2 2.92Å; N433-E437 PolarHBondContact O-N 3.01Å; T434-E437 PolarHBondContact O-N 3.41Å; I435-E437 VanDerWaalsContact C-N 3.32Å; I435-E437 PolarHBondContact O-N 2.87Å; E437-Q440 PolarHBondContact O-N 2.94Å
438L89.8Confident89.7Confident17 Ų1748.7 Ų48.79%0.08924%0.239CC..Hα-helixtrans-62-43.6178.5-76.4166.6000112.1V408 I410 Q418 A420 T434 I435 Q440V408-L438 HydrophobicContact CB-CD1 4.04Å; V408-L438 HydrophobicContact CG1-CD1 4.03Å; I410-L438 HydrophobicContact CB-CD1 4.29Å; I410-L438 HydrophobicContact CD1-CB 4.13Å; I410-L438 HydrophobicContact CD1-CD1 3.73Å; I410-L438 HydrophobicContact CG1-CD1 3.84Å; Q418-L438 HydrophobicContact CB-CD2 3.77Å; A420-L438 HydrophobicContact CB-CD1 4.29Å; A420-L438 HydrophobicContact CB-CD2 3.63Å; A420-L438 HydrophobicContact CB-CG 3.58Å; T434-L438 WeakPolarHBondContact O-CG 3.43Å; T434-L438 PolarHBondContact O-N 3.49Å; I435-L438 WeakPolarHBondContact O-CB 3.3Å; I435-L438 PolarHBondContact O-N 3.49Å; I435-L438 VanDerWaalsContact O-N 3.15Å; L438-Q440 VanDerWaalsContact C-N 3.34Å
439L82.4Confident89.4Confident28 Ų2850.2 Ų50.215%0.14725%0.245CC..Hα-helixtrans-88.8-1.6-177-58.9-178.1000113.2Y389 I410 I435 Q441 T497Y389-L439 HydrophobicContact CD1-CD2 3.74Å; Y389-L439 HydrophobicContact CD2-CD2 3.98Å; Y389-L439 HydrophobicContact CE1-CD2 3.74Å; Y389-L439 HydrophobicContact CE2-CD2 3.97Å; Y389-L439 HydrophobicContact CG-CD2 3.87Å; I410-L439 HydrophobicContact CD1-CD2 4.38Å; I410-L439 HydrophobicContact CD1-CG 4.45Å; I435-L439 HydrophobicContact CG2-CD1 3.62Å; I435-L439 HydrophobicContact CG2-CG 4.11Å; I435-L439 WeakPolarHBondContact O-CB 3.37Å; I435-L439 WeakPolarHBondContact O-CG 3.4Å; I435-L439 PolarHBondContact O-N 3.14Å; L439-Q441 VanDerWaalsContact C-N 3.32Å; L439-Q441 HydrophobicContact CB-CG 3.96Å; L439-Q441 PolarHBondContact O-N 3.14Å; L439-T497 HydrophobicContact CD1-CG2 4.36Å
440Q83.8Confident89.2Confident184 Ų18450.8 Ų50.886%0.8625%0.249SC*.THydrogen-bonded Turntrans52.545.7-177.9-58.1-179.321.700113.5D436 E437 L438D436-Q440 WeakPolarHBondContact O-CA 3.4Å; D436-Q440 PolarHBondContact O-N 2.98Å; E437-Q440 PolarHBondContact O-N 2.94Å; L438-Q440 VanDerWaalsContact C-N 3.34Å
441Q80.4Confident88.7Confident55 Ų5555.7 Ų55.726%0.25727%0.272SS..  trans-121.7164.4-178.361.9-1802000111.3D436 L439 P443D436-Q441 HydrophobicContact CB-CG 4.21Å; D436-Q441 PolarHBondContact O-N 3.28Å; D436-Q441 WeakPolarHBondContact OD1-CG 3.47Å; D436-Q441 PolarHBondContact OD1-NE2 3.21Å; L439-Q441 VanDerWaalsContact C-N 3.32Å; L439-Q441 HydrophobicContact CB-CG 3.96Å; L439-Q441 PolarHBondContact O-N 3.14Å; Q441-P443 HydrophobicContact CG-CG 4.38Å
442D85.8Confident87.9Confident105 Ų10558.8 Ų58.856%0.56130%0.298SS*.  trans-140.160.2175.5-17735.2000111.2K470D442-K470 VanDerWaalsContact O-CD 3.27Å; D442-K470 WeakPolarHBondContact O-CD 3.39Å; D442-K470 WeakPolarHBondContact O-CE 3.27Å; D442-K470 WeakPolarHBondContact O-CG 3.33Å; D442-K470 IonicContact OD1-NZ 3.81Å; D442-K470 PolarHBondContact OD1-NZ 2.93Å; D442-K470 IonicContact OD2-NZ 3.5Å; D442-K470 PolarHBondContact OD2-NZ 3.2Å
443P86Confident86.6Confident14 Ų1461.6 Ų61.69%0.09131%0.313CS..EExtended strand (participates in β ladder)trans-71.8160.4179.332.5-36000112.1D436 Q441 L467 R468 Y493D436-P443 VanDerWaalsContact OD1-CD 3.31Å; D436-P443 WeakPolarHBondContact OD1-CD 3.2Å; D436-P443 WeakPolarHBondContact OD1-CG 3.3Å; Q441-P443 HydrophobicContact CG-CG 4.38Å; P443-L467 HydrophobicContact CB-CB 4.03Å; P443-L467 HydrophobicContact CG-CD1 4.24Å; P443-R468 CarbonylContact C-O 3.56Å; P443-R468 VanDerWaalsContact CA-O 3.28Å; P443-R468 WeakPolarHBondContact CA-O 3.48Å; P443-Y493 WeakPolarHBondContact CG-OH 3.47Å
444E87.4Confident85.2Confident94 Ų9460.1 Ų60.144%0.43931%0.305SS..EExtended strand (participates in β ladder)trans-96.1118.7165.9178180-151.800109T446 L467 R468 K470E444-T446 HydrophobicContact CG-CG2 4.26Å; E444-T446 PolarHBondContact O-N 3.41Å; E444-T446 VanDerWaalsContact O-N 3.13Å; E444-L467 CarbonylContact O-C 3.49Å; E444-L467 WeakPolarHBondContact O-CA 3.31Å; E444-R468 HydrophobicContact CB-CB 4.33Å; E444-R468 PolarHBondContact N-O 3.44Å; E444-R468 PolarHBondContact O-N 3.05Å; E444-R468 IonicContact OE2-NH1 2.92Å; E444-R468 PolarHBondContact OE2-NH1 3.03Å; E444-K470 HydrophobicContact CB-CG 4.21Å
445L89.7Confident83.7Confident56 Ų5663.4 Ų63.429%0.29334%0.339SS..EExtended strand (participates in β ladder)trans-70.5106171176.871.2000109.2Y432 E447 V465 L467 Y493Y432-L445 HydrophobicContact CD2-CD2 3.93Å; Y432-L445 HydrophobicContact CE2-CD1 4.12Å; Y432-L445 HydrophobicContact CE2-CD2 3.69Å; L445-E447 VanDerWaalsContact CD1-O 3.28Å; L445-E447 WeakPolarHBondContact CD1-O 3.45Å; L445-V465 HydrophobicContact CD1-CB 3.97Å; L445-V465 HydrophobicContact CD1-CG1 4.4Å; L445-L467 HydrophobicContact CB-CD2 4.29Å; L445-L467 HydrophobicContact CD1-CD2 3.53Å; L445-Y493 HydrophobicContact CD1-CE2 4.22Å
446T86.7Confident82.5Confident48 Ų4866 Ų6629%0.29437%0.366SS..EExtended strand (participates in β ladder)trans-91.3-32.7-177.256.40000112.7E444 T466 R468E444-T446 HydrophobicContact CG-CG2 4.26Å; E444-T446 PolarHBondContact O-N 3.41Å; E444-T446 VanDerWaalsContact O-N 3.13Å; T446-T466 PolarHBondContact N-O 2.84Å; T446-T466 WeakPolarHBondContact OG1-CB 3.07Å; T446-T466 WeakPolarHBondContact OG1-CG2 3.09Å; T446-T466 PolarHBondContact OG1-O 3.34Å; T446-T466 VanDerWaalsContact OG1-O 3.13Å; T446-R468 HydrophobicContact CG2-CB 3.58Å
447E87Confident81.2Confident86 Ų8675.3 Ų75.340%0.40241%0.409SS..EExtended strand (participates in β ladder)trans-138.8139.3179.7-165.5174.7-161.700110.8L445 V465 T466 R477L445-E447 VanDerWaalsContact CD1-O 3.28Å; L445-E447 WeakPolarHBondContact CD1-O 3.45Å; E447-V465 WeakPolarHBondContact O-CA 3.35Å; E447-T466 PolarHBondContact N-O 2.95Å; E447-T466 PolarHBondContact O-N 3.41Å; E447-T466 PolarHBondContact OE2-OG1 3.14Å; E447-R477 IonicContact OE2-NH2 2.79Å; E447-R477 PolarHBondContact OE2-NH2 2.96Å
448Y90.4Very high79.9Confident68 Ų6872.8 Ų72.827%0.26740%0.399SS..EExtended strand (participates in β ladder)trans-142.4109.9174.1177-91.7000108.1I428 Y432 I450 V463 V465 S489I428-Y448 HydrophobicContact CD1-CE1 3.95Å; I428-Y448 HydrophobicContact CD1-CE2 4.18Å; I428-Y448 WeakPolarHBondContact CD1-OH 3.34Å; I428-Y448 HydrophobicContact CG2-CD2 4.46Å; I428-Y448 HydrophobicContact CG2-CE2 4.02Å; Y432-Y448 HydrophobicContact CE2-CD2 4.26Å; Y432-Y448 WeakPolarHBondContact OH-CD2 3.28Å; Y432-Y448 WeakPolarHBondContact OH-CE2 3.3Å; Y448-I450 HydrophobicContact CD1-CG1 4.3Å; Y448-I450 HydrophobicContact CE1-CD1 3.48Å; Y448-I450 VanDerWaalsContact CE1-CD1 3.48Å; Y448-I450 HydrophobicContact CE1-CG1 3.34Å; Y448-I450 WeakPolarHBondContact OH-CD1 3.4Å; Y448-I450 VanDerWaalsContact OH-CG1 3.26Å; Y448-I450 WeakPolarHBondContact OH-CG1 3.26Å; Y448-V463 HydrophobicContact CD2-CG1 4.12Å; Y448-V463 HydrophobicContact CE2-CG1 3.44Å; Y448-V463 VanDerWaalsContact CE2-CG1 3.44Å; Y448-V465 HydrophobicContact CD2-CG1 3.72Å; Y448-V465 HydrophobicContact CE2-CG1 4.22Å; Y448-S489 PolarHBondContact OH-OG 3.17Å
449E86.8Confident79Confident75 Ų7573.3 Ų73.335%0.3541%0.405SS..EExtended strand (participates in β ladder)trans-120134.8178.9-169.2177.1-160.800109.6V463 R464E449-V463 CarbonylContact O-C 3.53Å; E449-V463 WeakPolarHBondContact O-CA 3.3Å; E449-R464 HydrophobicContact CB-CB 4.37Å; E449-R464 PolarHBondContact N-O 3.32Å; E449-R464 PolarHBondContact O-N 3.11Å
450I89.1Confident78.7Confident82 Ų8273.1 Ų73.142%0.42140%0.404SS..EExtended strand (participates in β ladder)trans-116.9125.3171.6-48168.6000107Y448 A461 E462 V463 V485Y448-I450 HydrophobicContact CD1-CG1 4.3Å; Y448-I450 HydrophobicContact CE1-CD1 3.48Å; Y448-I450 VanDerWaalsContact CE1-CD1 3.48Å; Y448-I450 HydrophobicContact CE1-CG1 3.34Å; Y448-I450 WeakPolarHBondContact OH-CD1 3.4Å; Y448-I450 VanDerWaalsContact OH-CG1 3.26Å; Y448-I450 WeakPolarHBondContact OH-CG1 3.26Å; I450-A461 HydrophobicContact CG2-CB 4.29Å; I450-E462 WeakPolarHBondContact CA-O 3.38Å; I450-V463 HydrophobicContact CG1-CG2 4.22Å; I450-V463 HydrophobicContact CG2-CG2 4.18Å; I450-V485 HydrophobicContact CD1-CG1 3.65Å; I450-V485 HydrophobicContact CG1-CG1 4.38Å; I450-V485 HydrophobicContact CG2-CG1 4.29Å; I450-V485 HydrophobicContact CG2-CG2 4.49Å
451Q84.4Confident78.5Confident104 Ų10464.7 Ų64.749%0.48637%0.366SS..EExtended strand (participates in β ladder)trans-124.9139.3172.5-170.3173.89.100110.2L453 E462Q451-L453 PolarHBondContact O-N 3.47Å; Q451-E462 PolarHBondContact N-O 3.38Å; Q451-E462 PolarHBondContact O-N 3.23Å
452A77.8Confident78.7Confident65 Ų6563.3 Ų63.354%0.53736%0.359SS..EExtended strand (participates in β ladder)trans-73.1115.6166.100000108.9T454 A459 Q460A452-T454 PolarHBondContact O-N 2.86Å; A452-A459 HydrophobicContact CB-CB 4.47Å; A452-Q460 WeakPolarHBondContact CA-O 3.48Å
453L68.1Low78.7Confident59 Ų5958.3 Ų58.331%0.30933%0.333SS..SBendtrans-64.8-34.4173.7-102.8152.8000111.1Q451 Q460 E462 V481Q451-L453 PolarHBondContact O-N 3.47Å; L453-Q460 HydrophobicContact CB-CB 4.19Å; L453-Q460 PolarHBondContact N-O 3.09Å; L453-E462 HydrophobicContact CD1-CB 3.62Å; L453-E462 HydrophobicContact CD1-CG 4.28Å; L453-E462 HydrophobicContact CG-CB 3.88Å; L453-V481 HydrophobicContact CD1-CB 4.16Å; L453-V481 HydrophobicContact CD1-CG1 3.41Å; L453-V481 VanDerWaalsContact CD1-CG1 3.41Å; L453-V481 HydrophobicContact CD1-CG2 3.63Å
454T64.3Low78.5Confident16 Ų1661.9 Ų61.910%0.09834%0.344CS..SBendtrans-135.7150.2-176.1650000109.8K366 D373 A452 A459 Q460K366-T454 PolarHBondContact NZ-OG1 3.03Å; D373-T454 WeakPolarHBondContact OD1-CG2 3.29Å; A452-T454 PolarHBondContact O-N 2.86Å; T454-A459 WeakPolarHBondContact O-CB 3.42Å; T454-A459 WeakPolarHBondContact OG1-CA 3.03Å; T454-Q460 PolarHBondContact OG1-N 3.45Å
455G64.5Low78.2Confident69 Ų6957.5 Ų57.571%0.71132%0.324SS*.  trans-81.2153.7172.700000112.4
456G65.3Low77.8Confident56 Ų5655 Ų5558%0.57731%0.311SS*.SBendtrans128.3174.217400000114D458 A459G456-D458 PolarHBondContact O-N 3.43Å; G456-A459 VanDerWaalsContact O-CB 3.29Å; G456-A459 WeakPolarHBondContact O-CB 3.41Å; G456-A459 PolarHBondContact O-N 3.14Å
457E63.8Low77.3Confident208 Ų20852.7 Ų52.797%0.97230%0.297SS*.THydrogen-bonded Turntrans-68.5-19.9170.1-66.9178.7161.700112
458D65.4Low77Confident39 Ų3951.9 Ų51.921%0.20929%0.29CS..THydrogen-bonded Turntrans-102.420.1178.953.7-4.8000112.1K366 K367 G456 Q460K366-D458 VanDerWaalsContact CA-OD2 3.24Å; K366-D458 WeakPolarHBondContact CA-OD2 3.35Å; K366-D458 WeakPolarHBondContact CG-OD2 3.4Å; K367-D458 PolarHBondContact N-OD2 3.42Å; G456-D458 PolarHBondContact O-N 3.43Å; D458-Q460 PolarHBondContact O-N 2.97Å
459A69.9Low76.1Confident28 Ų2850.9 Ų50.923%0.23129%0.289CS..PPolyproline II helixtrans-58.3130.1-179.900000111.8A452 T454 G456A452-A459 HydrophobicContact CB-CB 4.47Å; T454-A459 WeakPolarHBondContact O-CB 3.42Å; T454-A459 WeakPolarHBondContact OG1-CA 3.03Å; G456-A459 VanDerWaalsContact O-CB 3.29Å; G456-A459 WeakPolarHBondContact O-CB 3.41Å; G456-A459 PolarHBondContact O-N 3.14Å
460Q75.3Confident75.5Confident25 Ų2552.7 Ų52.712%0.11730%0.296CS..PPolyproline II helixtrans-74.5136.7165.6-69.5-178.3-36.900109.8A452 L453 T454 D458 V481 D482 F483A452-Q460 WeakPolarHBondContact CA-O 3.48Å; L453-Q460 HydrophobicContact CB-CB 4.19Å; L453-Q460 PolarHBondContact N-O 3.09Å; T454-Q460 PolarHBondContact OG1-N 3.45Å; D458-Q460 PolarHBondContact O-N 2.97Å; Q460-V481 HydrophobicContact CB-CG1 4.4Å; Q460-D482 CarbonylContact C-O 3.51Å; Q460-D482 WeakPolarHBondContact CA-O 3.38Å; Q460-F483 HydrophobicContact CG-CD1 3.84Å; Q460-F483 HydrophobicContact CG-CE1 3.61Å; Q460-F483 HydrophobicContact CG-CE2 4.32Å; Q460-F483 HydrophobicContact CG-CG 4.3Å; Q460-F483 HydrophobicContact CG-CZ 3.87Å
461A80.2Confident74.4Confident7 Ų758.5 Ų58.56%0.05832%0.318CS..EExtended strand (participates in β ladder)trans-92.4125.6170.200000109.3I450 V481 D482 V485 A488I450-A461 HydrophobicContact CG2-CB 4.29Å; A461-V481 WeakPolarHBondContact O-CA 3.44Å; A461-D482 PolarHBondContact N-O 3.37Å; A461-D482 PolarHBondContact O-N 3.07Å; A461-D482 VanDerWaalsContact O-N 3.08Å; A461-V485 HydrophobicContact CB-CG2 3.84Å; A461-A488 HydrophobicContact CB-CB 4.33Å
462E84.6Confident73.3Confident26 Ų2656.4 Ų56.412%0.12132%0.315CS..EExtended strand (participates in β ladder)trans-93.1119.7159.7-170173.510600107.5I450 Q451 L453 R464 I479 G480 V481I450-E462 WeakPolarHBondContact CA-O 3.38Å; Q451-E462 PolarHBondContact N-O 3.38Å; Q451-E462 PolarHBondContact O-N 3.23Å; L453-E462 HydrophobicContact CD1-CB 3.62Å; L453-E462 HydrophobicContact CD1-CG 4.28Å; L453-E462 HydrophobicContact CG-CB 3.88Å; E462-R464 HydrophobicContact CG-CG 4.43Å; E462-R464 IonicContact OE1-CZ 2.82Å; E462-R464 IonicContact OE1-NE 3.92Å; E462-R464 PolarHBondContact OE1-NE 3.01Å; E462-R464 IonicContact OE1-NH2 2.84Å; E462-R464 PolarHBondContact OE1-NH2 3.22Å; E462-I479 HydrophobicContact CG-CG2 3.63Å; E462-G480 WeakPolarHBondContact CA-O 3.23Å; E462-V481 HydrophobicContact CB-CG2 4.41Å; E462-V481 HydrophobicContact CG-CG2 4.12Å
463V85.3Confident72.7Confident0 Ų057.5 Ų57.50%031%0.312CS..EExtended strand (participates in β ladder)trans-106.8125.1171.7-179.90000108.1Y448 E449 I450 V465 I479 G480 A488 A492Y448-V463 HydrophobicContact CD2-CG1 4.12Å; Y448-V463 HydrophobicContact CE2-CG1 3.44Å; Y448-V463 VanDerWaalsContact CE2-CG1 3.44Å; E449-V463 CarbonylContact O-C 3.53Å; E449-V463 WeakPolarHBondContact O-CA 3.3Å; I450-V463 HydrophobicContact CG1-CG2 4.22Å; I450-V463 HydrophobicContact CG2-CG2 4.18Å; V463-V465 HydrophobicContact CG1-CG1 3.95Å; V463-I479 CarbonylContact O-C 3.58Å; V463-I479 VanDerWaalsContact O-CA 3.3Å; V463-I479 WeakPolarHBondContact O-CA 3.35Å; V463-G480 PolarHBondContact N-O 3.33Å; V463-G480 PolarHBondContact O-N 2.69Å; V463-A488 HydrophobicContact CB-CB 4.08Å; V463-A488 HydrophobicContact CG2-CB 3.53Å; V463-A492 HydrophobicContact CB-CB 4.19Å; V463-A492 HydrophobicContact CG1-CB 4.06Å; V463-A492 VanDerWaalsContact O-CB 3.24Å; V463-A492 WeakPolarHBondContact O-CB 3.21Å
464R81.7Confident71.7Confident89 Ų8957.9 Ų57.934%0.33631%0.314SS..EExtended strand (participates in β ladder)trans-108.3131.5172.6-57-179.4177.7-152.6-4.7108.1E449 E462 G478 I479E449-R464 HydrophobicContact CB-CB 4.37Å; E449-R464 PolarHBondContact N-O 3.32Å; E449-R464 PolarHBondContact O-N 3.11Å; E462-R464 HydrophobicContact CG-CG 4.43Å; E462-R464 IonicContact OE1-CZ 2.82Å; E462-R464 IonicContact OE1-NE 3.92Å; E462-R464 PolarHBondContact OE1-NE 3.01Å; E462-R464 IonicContact OE1-NH2 2.84Å; E462-R464 PolarHBondContact OE1-NH2 3.22Å; R464-G478 WeakPolarHBondContact CA-O 3.19Å; R464-I479 HydrophobicContact CG-CG1 4.29Å
465V82.7Confident71.5Confident2 Ų258.1 Ų58.11%0.01231%0.314CS..EExtended strand (participates in β ladder)trans-127.4144.5173.1-51.20000110.2Y432 L445 E447 Y448 V463 L467 R477 G478 A492 Y493 A496Y432-V465 VanDerWaalsContact OH-CG1 3.29Å; Y432-V465 WeakPolarHBondContact OH-CG1 3.41Å; L445-V465 HydrophobicContact CD1-CB 3.97Å; L445-V465 HydrophobicContact CD1-CG1 4.4Å; E447-V465 WeakPolarHBondContact O-CA 3.35Å; Y448-V465 HydrophobicContact CD2-CG1 3.72Å; Y448-V465 HydrophobicContact CE2-CG1 4.22Å; V463-V465 HydrophobicContact CG1-CG1 3.95Å; V465-L467 HydrophobicContact CG2-CD2 4.32Å; V465-L467 HydrophobicContact CG2-CG 4.48Å; V465-R477 WeakPolarHBondContact O-CA 3.27Å; V465-G478 PolarHBondContact N-O 3.06Å; V465-G478 PolarHBondContact O-N 2.94Å; V465-A492 HydrophobicContact CG1-CB 3.92Å; V465-A492 HydrophobicContact CG2-CB 4.02Å; V465-A492 WeakPolarHBondContact CG2-O 3.44Å; V465-Y493 HydrophobicContact CG2-CD2 4.23Å; V465-A496 HydrophobicContact CG2-CB 3.26Å
466T80.9Confident71.2Confident3 Ų356.6 Ų56.62%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-118.4121.1169-53.50000107.5T446 E447 E475 F476 R477T446-T466 PolarHBondContact N-O 2.84Å; T446-T466 WeakPolarHBondContact OG1-CB 3.07Å; T446-T466 WeakPolarHBondContact OG1-CG2 3.09Å; T446-T466 PolarHBondContact OG1-O 3.34Å; T446-T466 VanDerWaalsContact OG1-O 3.13Å; E447-T466 PolarHBondContact N-O 2.95Å; E447-T466 PolarHBondContact O-N 3.41Å; E447-T466 PolarHBondContact OE2-OG1 3.14Å; T466-E475 HydrophobicContact CG2-CB 3.91Å; T466-E475 HydrophobicContact CG2-CG 4.24Å; T466-E475 WeakPolarHBondContact CG2-OE2 3.48Å; T466-F476 CarbonylContact C-O 3.53Å; T466-F476 VanDerWaalsContact CA-O 3.29Å; T466-F476 WeakPolarHBondContact CA-O 3.41Å; T466-R477 HydrophobicContact CG2-CG 3.97Å
467L76.3Confident71Confident0 Ų057.6 Ų57.60%028%0.275CS..EExtended strand (participates in β ladder)trans-107.1139.3177.4-52.4-170000108.6P443 E444 L445 V465 E475 F476 Y493 A496 T497P443-L467 HydrophobicContact CB-CB 4.03Å; P443-L467 HydrophobicContact CG-CD1 4.24Å; E444-L467 CarbonylContact O-C 3.49Å; E444-L467 WeakPolarHBondContact O-CA 3.31Å; L445-L467 HydrophobicContact CB-CD2 4.29Å; L445-L467 HydrophobicContact CD1-CD2 3.53Å; V465-L467 HydrophobicContact CG2-CD2 4.32Å; V465-L467 HydrophobicContact CG2-CG 4.48Å; L467-E475 CarbonylContact O-C 3.56Å; L467-E475 WeakPolarHBondContact O-CA 3.44Å; L467-F476 HydrophobicContact CB-CB 4.44Å; L467-F476 PolarHBondContact N-O 3.03Å; L467-F476 PolarHBondContact O-N 3.08Å; L467-Y493 HydrophobicContact CD1-CD1 4.17Å; L467-Y493 HydrophobicContact CD1-CD2 4Å; L467-Y493 HydrophobicContact CD1-CE1 3.9Å; L467-Y493 HydrophobicContact CD1-CE2 3.76Å; L467-Y493 HydrophobicContact CD1-CG 4.21Å; L467-Y493 HydrophobicContact CD2-CD2 3.6Å; L467-Y493 HydrophobicContact CD2-CE2 3.09Å; L467-Y493 HydrophobicContact CG-CD2 4.36Å; L467-Y493 HydrophobicContact CG-CE2 4.06Å; L467-A496 HydrophobicContact CD1-CB 3.93Å; L467-A496 WeakPolarHBondContact CD1-O 3.26Å; L467-A496 HydrophobicContact CG-CB 3.81Å; L467-A496 WeakPolarHBondContact CG-O 3.31Å; L467-T497 HydrophobicContact CD1-CG2 4.02Å
468R79.2Confident70.8Confident68 Ų6847.8 Ų47.826%0.25723%0.229SC..EExtended strand (participates in β ladder)trans-113128.1174.6-174.8-173.9-66158.2-4.2110.2P443 E444 T446 K470 N473 D474 E475P443-R468 CarbonylContact C-O 3.56Å; P443-R468 VanDerWaalsContact CA-O 3.28Å; P443-R468 WeakPolarHBondContact CA-O 3.48Å; E444-R468 HydrophobicContact CB-CB 4.33Å; E444-R468 PolarHBondContact N-O 3.44Å; E444-R468 PolarHBondContact O-N 3.05Å; E444-R468 IonicContact OE2-NH1 2.92Å; E444-R468 PolarHBondContact OE2-NH1 3.03Å; T446-R468 HydrophobicContact CG2-CB 3.58Å; R468-K470 PolarHBondContact O-N 2.79Å; R468-N473 WeakPolarHBondContact CD-OD1 3.19Å; R468-D474 CarbonylContact C-O 3.57Å; R468-D474 WeakPolarHBondContact CA-O 3.02Å; R468-E475 HydrophobicContact CB-CG 3.98Å; R468-E475 HydrophobicContact CG-CG 4.02Å; R468-E475 IonicContact CZ-OE1 2.79Å; R468-E475 IonicContact NE-OE1 3.24Å; R468-E475 PolarHBondContact NE-OE1 3.2Å; R468-E475 IonicContact NH2-OE1 3.09Å; R468-E475 PolarHBondContact NH2-OE1 2.88Å
469D72.1Confident71.1Confident48 Ų4848.3 Ų48.326%0.25723%0.231SC..EExtended strand (participates in β ladder)trans-68.4123.5169.8-170.9-75000109.7K471 S472 N473 D474 F476D469-K471 PolarHBondContact O-N 2.84Å; D469-K471 VanDerWaalsContact OD1-CA 3.28Å; D469-K471 WeakPolarHBondContact OD1-CA 3.44Å; D469-K471 VanDerWaalsContact OD1-CB 3.25Å; D469-K471 WeakPolarHBondContact OD1-CB 3.38Å; D469-K471 PolarHBondContact OD1-N 2.71Å; D469-S472 VanDerWaalsContact CB-OG 3.26Å; D469-S472 WeakPolarHBondContact CB-OG 3.43Å; D469-S472 PolarHBondContact OD1-N 3.27Å; D469-N473 WeakPolarHBondContact O-CA 3.17Å; D469-N473 PolarHBondContact O-N 2.97Å; D469-D474 PolarHBondContact N-O 2.8Å; D469-F476 HydrophobicContact CB-CE2 3.87Å; D469-F476 HydrophobicContact CB-CZ 4.37Å
470K74.8Confident71.4Confident112 Ų11247 Ų4749%0.48722%0.221SC..THydrogen-bonded Turntrans-68.1-17.7-177.6-65.3179.1-165.4162.80113.9D442 E444 R468D442-K470 VanDerWaalsContact O-CD 3.27Å; D442-K470 WeakPolarHBondContact O-CD 3.39Å; D442-K470 WeakPolarHBondContact O-CE 3.27Å; D442-K470 WeakPolarHBondContact O-CG 3.33Å; D442-K470 IonicContact OD1-NZ 3.81Å; D442-K470 PolarHBondContact OD1-NZ 2.93Å; D442-K470 IonicContact OD2-NZ 3.5Å; D442-K470 PolarHBondContact OD2-NZ 3.2Å; E444-K470 HydrophobicContact CB-CG 4.21Å; R468-K470 PolarHBondContact O-N 2.79Å
471K65.3Low71.4Confident204 Ų20447.6 Ų47.689%0.88723%0.226SC*.THydrogen-bonded Turntrans-97-48.9-178.2-62.5176.9-177.3165.60111.9D469D469-K471 PolarHBondContact O-N 2.84Å; D469-K471 VanDerWaalsContact OD1-CA 3.28Å; D469-K471 WeakPolarHBondContact OD1-CA 3.44Å; D469-K471 VanDerWaalsContact OD1-CB 3.25Å; D469-K471 WeakPolarHBondContact OD1-CB 3.38Å; D469-K471 PolarHBondContact OD1-N 2.71Å
472S62.5Low71.5Confident60 Ų6048.8 Ų48.842%0.4223%0.231SC..THydrogen-bonded Turntrans-87.7-19.7179.863.50000113.2D469 D474D469-S472 VanDerWaalsContact CB-OG 3.26Å; D469-S472 WeakPolarHBondContact CB-OG 3.43Å; D469-S472 PolarHBondContact OD1-N 3.27Å; S472-D474 WeakPolarHBondContact CB-OD2 3.38Å; S472-D474 PolarHBondContact O-N 2.65Å; S472-D474 PolarHBondContact OG-N 3.09Å; S472-D474 PolarHBondContact OG-OD2 2.75Å
473N63.5Low71.2Confident88 Ų8851 Ų5147%0.47124%0.241SC..  trans69.38.3-174.7-148.458.5000113.8R468 D469R468-N473 WeakPolarHBondContact CD-OD1 3.19Å; D469-N473 WeakPolarHBondContact O-CA 3.17Å; D469-N473 PolarHBondContact O-N 2.97Å
474D48.9Very low71.3Confident67 Ų6754.6 Ų54.636%0.35826%0.26SS..  trans-66.2145.4175.6-58.5-33.5000110.6R468 D469 S472 F476R468-D474 CarbonylContact C-O 3.57Å; R468-D474 WeakPolarHBondContact CA-O 3.02Å; D469-D474 PolarHBondContact N-O 2.8Å; S472-D474 WeakPolarHBondContact CB-OD2 3.38Å; S472-D474 PolarHBondContact O-N 2.65Å; S472-D474 PolarHBondContact OG-N 3.09Å; S472-D474 PolarHBondContact OG-OD2 2.75Å; D474-F476 HydrophobicContact CB-CE1 3.96Å; D474-F476 HydrophobicContact CB-CZ 3.85Å
475E58.9Low71.7Confident22 Ų2253 Ų5310%0.10326%0.26CS..EExtended strand (participates in β ladder)trans-112.8126176.8-72.2-167.8177.800112.2T466 L467 R468 K566T466-E475 HydrophobicContact CG2-CB 3.91Å; T466-E475 HydrophobicContact CG2-CG 4.24Å; T466-E475 WeakPolarHBondContact CG2-OE2 3.48Å; L467-E475 CarbonylContact O-C 3.56Å; L467-E475 WeakPolarHBondContact O-CA 3.44Å; R468-E475 HydrophobicContact CB-CG 3.98Å; R468-E475 HydrophobicContact CG-CG 4.02Å; R468-E475 IonicContact CZ-OE1 2.79Å; R468-E475 IonicContact NE-OE1 3.24Å; R468-E475 PolarHBondContact NE-OE1 3.2Å; R468-E475 IonicContact NH2-OE1 3.09Å; R468-E475 PolarHBondContact NH2-OE1 2.88Å; E475-K566 VanDerWaalsContact CD-NZ 3.28Å; E475-K566 WeakPolarHBondContact OE2-CE 3.43Å; E475-K566 IonicContact OE2-NZ 3.66Å; E475-K566 PolarHBondContact OE2-NZ 2.87Å
476F59.4Low72.2Confident36 Ų3655.1 Ų55.116%0.15827%0.271CS..EExtended strand (participates in β ladder)trans-111.9145-176.6-53-54.8000110.4T466 L467 D469 D474 A496 G498 D499T466-F476 CarbonylContact C-O 3.53Å; T466-F476 VanDerWaalsContact CA-O 3.29Å; T466-F476 WeakPolarHBondContact CA-O 3.41Å; L467-F476 HydrophobicContact CB-CB 4.44Å; L467-F476 PolarHBondContact N-O 3.03Å; L467-F476 PolarHBondContact O-N 3.08Å; D469-F476 HydrophobicContact CB-CE2 3.87Å; D469-F476 HydrophobicContact CB-CZ 4.37Å; D474-F476 HydrophobicContact CB-CE1 3.96Å; D474-F476 HydrophobicContact CB-CZ 3.85Å; F476-A496 CarbonylContact C-O 3.58Å; F476-A496 WeakPolarHBondContact CB-O 3.26Å; F476-G498 VanDerWaalsContact CD1-CA 3.46Å; F476-D499 HydrophobicContact CD1-CB 3.86Å; F476-D499 HydrophobicContact CE1-CB 4Å
477R59.4Low72.6Confident78 Ų7857.2 Ų57.229%0.29428%0.281SS..EExtended strand (participates in β ladder)trans-132.1141.2-170.4-74.5169.3161.2-116-9.1112.9E447 V465 T466 A496 K566E447-R477 IonicContact OE2-NH2 2.79Å; E447-R477 PolarHBondContact OE2-NH2 2.96Å; V465-R477 WeakPolarHBondContact O-CA 3.27Å; T466-R477 HydrophobicContact CG2-CG 3.97Å; R477-A496 VanDerWaalsContact C-CB 3.44Å; R477-A496 WeakPolarHBondContact O-CA 3.32Å; R477-K566 VanDerWaalsContact CZ-CG 3.41Å; R477-K566 VanDerWaalsContact NE-CB 3.3Å
478G60.7Low73.2Confident2 Ų257.2 Ų57.22%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-147.6150.8-179.900000111.6R464 V465 A492R464-G478 WeakPolarHBondContact CA-O 3.19Å; V465-G478 PolarHBondContact N-O 3.06Å; V465-G478 PolarHBondContact O-N 2.94Å; G478-A492 VanDerWaalsContact CA-O 3.32Å; G478-A492 WeakPolarHBondContact CA-O 3.49Å
479I71.3Confident73.8Confident49 Ų4954 Ų5425%0.25127%0.269SS..EExtended strand (participates in β ladder)trans-131.8108.1-172.2-55.1-178.2000107.8E462 V463 R464 V481 Q495E462-I479 HydrophobicContact CG-CG2 3.63Å; V463-I479 CarbonylContact O-C 3.58Å; V463-I479 VanDerWaalsContact O-CA 3.3Å; V463-I479 WeakPolarHBondContact O-CA 3.35Å; R464-I479 HydrophobicContact CG-CG1 4.29Å; I479-V481 HydrophobicContact CG2-CG2 4.46Å; I479-Q495 PolarHBondContact O-OE1 2.77Å
480G75.6Confident74.8Confident2 Ų251.7 Ų51.72%0.02126%0.256CS..EExtended strand (participates in β ladder)trans-101.9133.717300000110.2E462 V463 A488 A492E462-G480 WeakPolarHBondContact CA-O 3.23Å; V463-G480 PolarHBondContact N-O 3.33Å; V463-G480 PolarHBondContact O-N 2.69Å; G480-A488 WeakPolarHBondContact CA-O 3.06Å; G480-A492 VanDerWaalsContact N-CA 3.35Å; G480-A492 VanDerWaalsContact N-CB 3.25Å
481V75.8Confident75.2Confident36 Ų3649.7 Ų49.722%0.21825%0.247CC..EExtended strand (participates in β ladder)trans-117.3126.3173.2179.30000108.5L453 Q460 A461 E462 I479 K491L453-V481 HydrophobicContact CD1-CB 4.16Å; L453-V481 HydrophobicContact CD1-CG1 3.41Å; L453-V481 VanDerWaalsContact CD1-CG1 3.41Å; L453-V481 HydrophobicContact CD1-CG2 3.63Å; Q460-V481 HydrophobicContact CB-CG1 4.4Å; A461-V481 WeakPolarHBondContact O-CA 3.44Å; E462-V481 HydrophobicContact CB-CG2 4.41Å; E462-V481 HydrophobicContact CG-CG2 4.12Å; I479-V481 HydrophobicContact CG2-CG2 4.46Å; V481-K491 PolarHBondContact O-NZ 3.22Å
482D82.8Confident76Confident32 Ų3240 Ų4017%0.17121%0.205CC..EExtended strand (participates in β ladder)trans-156.8168.3174.6-151.8-80.5000111.2Q460 A461 D484 H487 A488 K491Q460-D482 CarbonylContact C-O 3.51Å; Q460-D482 WeakPolarHBondContact CA-O 3.38Å; A461-D482 PolarHBondContact N-O 3.37Å; A461-D482 PolarHBondContact O-N 3.07Å; A461-D482 VanDerWaalsContact O-N 3.08Å; D482-D484 VanDerWaalsContact C-N 3.33Å; D482-D484 PolarHBondContact OD1-N 3.28Å; D482-D484 VanDerWaalsContact OD1-N 3.08Å; D482-H487 HydrophobicContact CB-CB 4.01Å; D482-H487 IonicContact OD2-CD2 2.94Å; D482-H487 PolarHBondContact OD2-CD2 3.11Å; D482-H487 IonicContact OD2-CG 3.56Å; D482-A488 HydrophobicContact CB-CB 3.85Å; D482-K491 IonicContact OD2-NZ 2.67Å; D482-K491 PolarHBondContact OD2-NZ 2.99Å
483F79Confident77.1Confident73 Ų7337.2 Ų37.232%0.3219%0.186SC..SBendtrans-76.4-25.4169.8-68.2-84.7000111.9L362 K365 Q460L362-F483 HydrophobicContact CD1-CE1 4.46Å; L362-F483 HydrophobicContact CD1-CZ 3.62Å; K365-F483 HydrophobicContact CD-CE2 4.26Å; K365-F483 HydrophobicContact CD-CZ 4.36Å; Q460-F483 HydrophobicContact CG-CD1 3.84Å; Q460-F483 HydrophobicContact CG-CE1 3.61Å; Q460-F483 HydrophobicContact CG-CE2 4.32Å; Q460-F483 HydrophobicContact CG-CG 4.3Å; Q460-F483 HydrophobicContact CG-CZ 3.87Å
484D86.5Confident77.8Confident76 Ų7633.6 Ų33.641%0.40617%0.167SC..SBendtrans-99.5127.6174.6-179.4-93.8000110.9D482 L486 H487 A488D482-D484 VanDerWaalsContact C-N 3.33Å; D482-D484 PolarHBondContact OD1-N 3.28Å; D482-D484 VanDerWaalsContact OD1-N 3.08Å; D484-L486 VanDerWaalsContact C-N 3.3Å; D484-L486 PolarHBondContact O-N 3.42Å; D484-L486 WeakPolarHBondContact OD1-CA 3.45Å; D484-L486 VanDerWaalsContact OD1-CB 3.23Å; D484-L486 WeakPolarHBondContact OD1-CB 3.27Å; D484-L486 PolarHBondContact OD1-N 3.4Å; D484-H487 HydrophobicContact CB-CB 3.96Å; D484-H487 PolarHBondContact O-N 2.93Å; D484-H487 PolarHBondContact OD1-N 3.43Å; D484-A488 WeakPolarHBondContact O-CB 3.47Å; D484-A488 PolarHBondContact O-N 2.97Å
485V89.7Confident78.5Confident56 Ų5633.2 Ų33.234%0.33916%0.163SC..Hα-helixtrans-59.7-40.2-178.4173.30000111.4I450 A461 H487 A488 S489I450-V485 HydrophobicContact CD1-CG1 3.65Å; I450-V485 HydrophobicContact CG1-CG1 4.38Å; I450-V485 HydrophobicContact CG2-CG1 4.29Å; I450-V485 HydrophobicContact CG2-CG2 4.49Å; A461-V485 HydrophobicContact CB-CG2 3.84Å; V485-H487 VanDerWaalsContact C-N 3.35Å; V485-A488 PolarHBondContact O-N 3.19Å; V485-S489 WeakPolarHBondContact O-CB 3.48Å; V485-S489 PolarHBondContact O-N 3.2Å; V485-S489 PolarHBondContact O-OG 3.42Å
486L93.4Very high78.4Confident45 Ų4532.1 Ų32.124%0.23616%0.158CC..Hα-helixtrans-69.5-36.3-178.8-57174.1000111.2F394 V396 I428 I431 D484 S489 A490F394-L486 HydrophobicContact CE2-CB 3.88Å; F394-L486 HydrophobicContact CZ-CB 3.81Å; V396-L486 HydrophobicContact CG2-CD1 4.27Å; I428-L486 HydrophobicContact CG1-CD2 3.84Å; I431-L486 HydrophobicContact CD1-CB 3.97Å; I431-L486 HydrophobicContact CD1-CD2 4.4Å; D484-L486 VanDerWaalsContact C-N 3.3Å; D484-L486 PolarHBondContact O-N 3.42Å; D484-L486 WeakPolarHBondContact OD1-CA 3.45Å; D484-L486 VanDerWaalsContact OD1-CB 3.23Å; D484-L486 WeakPolarHBondContact OD1-CB 3.27Å; D484-L486 PolarHBondContact OD1-N 3.4Å; L486-S489 WeakPolarHBondContact O-CB 3.27Å; L486-S489 PolarHBondContact O-N 2.88Å; L486-A490 WeakPolarHBondContact O-CB 3.37Å; L486-A490 PolarHBondContact O-N 3.39Å
487H90.5Very high77.9Confident48 Ų4832.6 Ų32.622%0.22216%0.164CC..Hα-helixtrans-67.9-44.3175.9-155.7122.7000111.3F394 D482 D484 V485 S489 A490 K491F394-H487 HydrophobicContact CE1-CB 3.72Å; F394-H487 AromaticContact CE1-CG 3.65Å; F394-H487 AromaticContact CE1-ND1 3.52Å; F394-H487 HydrophobicContact CZ-CB 3.99Å; D482-H487 HydrophobicContact CB-CB 4.01Å; D482-H487 IonicContact OD2-CD2 2.94Å; D482-H487 PolarHBondContact OD2-CD2 3.11Å; D482-H487 IonicContact OD2-CG 3.56Å; D484-H487 HydrophobicContact CB-CB 3.96Å; D484-H487 PolarHBondContact O-N 2.93Å; D484-H487 PolarHBondContact OD1-N 3.43Å; V485-H487 VanDerWaalsContact C-N 3.35Å; H487-S489 VanDerWaalsContact C-N 3.31Å; H487-S489 PolarHBondContact O-N 3.04Å; H487-A490 PolarHBondContact O-N 3.39Å; H487-K491 VanDerWaalsContact CD2-CE 3.47Å; H487-K491 WeakPolarHBondContact CD2-CE 3.13Å; H487-K491 PolarHBondContact O-N 3.34Å
488A87.5Confident76.8Confident0 Ų029.9 Ų29.90%016%0.16CC..Hα-helixtrans-58.8-43.3171.700000111A461 V463 G480 D482 D484 V485 A490 K491 A492A461-A488 HydrophobicContact CB-CB 4.33Å; V463-A488 HydrophobicContact CB-CB 4.08Å; V463-A488 HydrophobicContact CG2-CB 3.53Å; G480-A488 WeakPolarHBondContact CA-O 3.06Å; D482-A488 HydrophobicContact CB-CB 3.85Å; D484-A488 WeakPolarHBondContact O-CB 3.47Å; D484-A488 PolarHBondContact O-N 2.97Å; V485-A488 PolarHBondContact O-N 3.19Å; A488-A490 PolarHBondContact O-N 3.46Å; A488-K491 PolarHBondContact O-N 2.75Å; A488-A492 WeakPolarHBondContact O-CB 3.48Å; A488-A492 PolarHBondContact O-N 2.92Å
489S92.9Very high76.1Confident0 Ų032.5 Ų32.50%017%0.173CC..Hα-helixtrans-59.4-47.1174.6-54.80000112.6Y432 Y448 V485 L486 H487 A492 Y493Y432-S489 WeakPolarHBondContact CE1-O 3.38Å; Y432-S489 WeakPolarHBondContact OH-CB 2.97Å; Y432-S489 PolarHBondContact OH-O 3.38Å; Y448-S489 PolarHBondContact OH-OG 3.17Å; V485-S489 WeakPolarHBondContact O-CB 3.48Å; V485-S489 PolarHBondContact O-N 3.2Å; V485-S489 PolarHBondContact O-OG 3.42Å; L486-S489 WeakPolarHBondContact O-CB 3.27Å; L486-S489 PolarHBondContact O-N 2.88Å; H487-S489 VanDerWaalsContact C-N 3.31Å; H487-S489 PolarHBondContact O-N 3.04Å; S489-A492 PolarHBondContact O-N 3.09Å; S489-Y493 WeakPolarHBondContact O-CB 3.2Å; S489-Y493 PolarHBondContact O-N 2.78Å
490A91.6Very high75.5Confident0 Ų031 Ų310%017%0.17CC..Hα-helixtrans-61.5-46.8179.800000111.6L391 F394 I431 I435 L486 H487 A488 Y493 V494L391-A490 HydrophobicContact CD1-CB 4.22Å; L391-A490 HydrophobicContact CD2-CB 3.49Å; L391-A490 VanDerWaalsContact CD2-CB 3.49Å; F394-A490 HydrophobicContact CD1-CB 4.41Å; F394-A490 HydrophobicContact CE1-CB 4.47Å; I431-A490 HydrophobicContact CG2-CB 3.77Å; I435-A490 HydrophobicContact CD1-CB 4.48Å; L486-A490 WeakPolarHBondContact O-CB 3.37Å; L486-A490 PolarHBondContact O-N 3.39Å; H487-A490 PolarHBondContact O-N 3.39Å; A488-A490 PolarHBondContact O-N 3.46Å; A490-Y493 PolarHBondContact O-N 3.27Å; A490-V494 WeakPolarHBondContact O-CG2 3.49Å; A490-V494 PolarHBondContact O-N 2.81Å
491K84.6Confident75.4Confident69 Ų6931 Ų3130%0.317%0.17SC..Hα-helixtrans-58.5-47.4174.8-76.9174.5170.6171.10111.8L391 V481 D482 H487 A488 Y493 V494 Q495L391-K491 HydrophobicContact CD2-CG 4.09Å; V481-K491 PolarHBondContact O-NZ 3.22Å; D482-K491 IonicContact OD2-NZ 2.67Å; D482-K491 PolarHBondContact OD2-NZ 2.99Å; H487-K491 VanDerWaalsContact CD2-CE 3.47Å; H487-K491 WeakPolarHBondContact CD2-CE 3.13Å; H487-K491 PolarHBondContact O-N 3.34Å; A488-K491 PolarHBondContact O-N 2.75Å; K491-Y493 VanDerWaalsContact C-N 3.27Å; K491-Y493 PolarHBondContact O-N 2.71Å; K491-V494 PolarHBondContact O-N 2.79Å; K491-Q495 PolarHBondContact O-N 3.41Å
492A81.4Confident75.3Confident0 Ų029.6 Ų29.60%016%0.162CC..Hα-helixtrans-57-44.5178.300000110.9V463 V465 G478 G480 A488 S489 Q495 A496V463-A492 HydrophobicContact CB-CB 4.19Å; V463-A492 HydrophobicContact CG1-CB 4.06Å; V463-A492 VanDerWaalsContact O-CB 3.24Å; V463-A492 WeakPolarHBondContact O-CB 3.21Å; V465-A492 HydrophobicContact CG1-CB 3.92Å; V465-A492 HydrophobicContact CG2-CB 4.02Å; V465-A492 WeakPolarHBondContact CG2-O 3.44Å; G478-A492 VanDerWaalsContact CA-O 3.32Å; G478-A492 WeakPolarHBondContact CA-O 3.49Å; G480-A492 VanDerWaalsContact N-CA 3.35Å; G480-A492 VanDerWaalsContact N-CB 3.25Å; A488-A492 WeakPolarHBondContact O-CB 3.48Å; A488-A492 PolarHBondContact O-N 2.92Å; S489-A492 PolarHBondContact O-N 3.09Å; A492-Q495 PolarHBondContact O-N 2.79Å; A492-A496 WeakPolarHBondContact O-CB 3.16Å; A492-A496 PolarHBondContact O-N 3.11Å
493Y86.5Confident74.9Confident3 Ų332.4 Ų32.41%0.01218%0.182CC..Hα-helixtrans-70.6-39.5-176.9-155.1-92.4000113.6Y432 I435 D436 P443 L445 V465 L467 S489 A490 K491 Q495 A496Y432-Y493 AromaticContact CD1-CD1 3.9Å; Y432-Y493 HydrophobicContact CD1-CD1 3.9Å; Y432-Y493 AromaticContact CD1-CD2 3.37Å; Y432-Y493 HydrophobicContact CD1-CD2 3.37Å; Y432-Y493 HydrophobicContact CD1-CE1 4.37Å; Y432-Y493 AromaticContact CD1-CE2 3.87Å; Y432-Y493 HydrophobicContact CD1-CE2 3.87Å; Y432-Y493 AromaticContact CD1-CG 3.36Å; Y432-Y493 HydrophobicContact CD1-CG 3.36Å; Y432-Y493 AromaticContact CD2-CD2 3.35Å; Y432-Y493 HydrophobicContact CD2-CD2 3.35Å; Y432-Y493 AromaticContact CD2-CE2 3.18Å; Y432-Y493 HydrophobicContact CD2-CE2 3.18Å; Y432-Y493 HydrophobicContact CD2-CG 4.21Å; Y432-Y493 AromaticContact CD2-CZ 4Å; Y432-Y493 VanDerWaalsContact CE1-CB 3.41Å; Y432-Y493 HydrophobicContact CE1-CD1 4.48Å; Y432-Y493 AromaticContact CE1-CD2 3.42Å; Y432-Y493 HydrophobicContact CE1-CD2 3.42Å; Y432-Y493 VanDerWaalsContact CE1-CD2 3.42Å; Y432-Y493 HydrophobicContact CE1-CE2 4.26Å; Y432-Y493 AromaticContact CE1-CG 3.54Å; Y432-Y493 HydrophobicContact CE1-CG 3.54Å; Y432-Y493 AromaticContact CE2-CD2 3.35Å; Y432-Y493 HydrophobicContact CE2-CD2 3.35Å; Y432-Y493 AromaticContact CE2-CE2 3.6Å; Y432-Y493 HydrophobicContact CE2-CE2 3.6Å; Y432-Y493 HydrophobicContact CE2-CG 4.3Å; Y432-Y493 HydrophobicContact CG-CD1 4.12Å; Y432-Y493 AromaticContact CG-CD2 3.34Å; Y432-Y493 HydrophobicContact CG-CD2 3.34Å; Y432-Y493 HydrophobicContact CG-CE1 4.13Å; Y432-Y493 AromaticContact CG-CE2 3.32Å; Y432-Y493 HydrophobicContact CG-CE2 3.32Å; Y432-Y493 AromaticContact CG-CG 3.74Å; Y432-Y493 HydrophobicContact CG-CG 3.74Å; Y432-Y493 AromaticContact CG-CZ 3.77Å; Y432-Y493 AromaticContact CZ-CD2 3.38Å; Y432-Y493 AromaticContact CZ-CG 3.98Å; I435-Y493 HydrophobicContact CB-CD1 4.02Å; I435-Y493 HydrophobicContact CB-CE1 4.37Å; I435-Y493 HydrophobicContact CD1-CD1 3.99Å; I435-Y493 HydrophobicContact CD1-CG 4.41Å; I435-Y493 HydrophobicContact CG2-CD1 3.81Å; I435-Y493 HydrophobicContact CG2-CE1 4.27Å; D436-Y493 VanDerWaalsContact OD1-CE1 3.32Å; D436-Y493 WeakPolarHBondContact OD1-CE1 3.28Å; D436-Y493 PolarHBondContact OD1-OH 2.91Å; D436-Y493 PolarHBondContact OD2-OH 3.08Å; P443-Y493 WeakPolarHBondContact CG-OH 3.47Å; L445-Y493 HydrophobicContact CD1-CE2 4.22Å; V465-Y493 HydrophobicContact CG2-CD2 4.23Å; L467-Y493 HydrophobicContact CD1-CD1 4.17Å; L467-Y493 HydrophobicContact CD1-CD2 4Å; L467-Y493 HydrophobicContact CD1-CE1 3.9Å; L467-Y493 HydrophobicContact CD1-CE2 3.76Å; L467-Y493 HydrophobicContact CD1-CG 4.21Å; L467-Y493 HydrophobicContact CD2-CD2 3.6Å; L467-Y493 HydrophobicContact CD2-CE2 3.09Å; L467-Y493 HydrophobicContact CG-CD2 4.36Å; L467-Y493 HydrophobicContact CG-CE2 4.06Å; S489-Y493 WeakPolarHBondContact O-CB 3.2Å; S489-Y493 PolarHBondContact O-N 2.78Å; A490-Y493 PolarHBondContact O-N 3.27Å; K491-Y493 VanDerWaalsContact C-N 3.27Å; K491-Y493 PolarHBondContact O-N 2.71Å; Y493-Q495 VanDerWaalsContact C-N 3.27Å; Y493-Q495 PolarHBondContact O-N 3.09Å; Y493-A496 PolarHBondContact O-N 3.39Å
494V76.5Confident74.9Confident12 Ų1230.5 Ų30.57%0.07317%0.174CC..Hα-helixtrans-63.8-35.2172.7174.50000111.2Y389 I410 I435 A490 K491 T497Y389-V494 WeakPolarHBondContact O-CG1 3.3Å; I410-V494 HydrophobicContact CD1-CG2 4.05Å; I435-V494 HydrophobicContact CD1-CG2 3.97Å; I435-V494 HydrophobicContact CG1-CG2 4.36Å; I435-V494 HydrophobicContact CG2-CG2 4.16Å; A490-V494 WeakPolarHBondContact O-CG2 3.49Å; A490-V494 PolarHBondContact O-N 2.81Å; K491-V494 PolarHBondContact O-N 2.79Å; V494-T497 PolarHBondContact O-OG1 3.17Å
495Q64.1Low74.9Confident58 Ų5826.9 Ų26.927%0.27116%0.155SC..Hα-helixtrans-73.6-35175.8-171-175.615.700112.5I479 K491 A492 Y493 T497I479-Q495 PolarHBondContact O-OE1 2.77Å; K491-Q495 PolarHBondContact O-N 3.41Å; A492-Q495 PolarHBondContact O-N 2.79Å; Y493-Q495 VanDerWaalsContact C-N 3.27Å; Y493-Q495 PolarHBondContact O-N 3.09Å; Q495-T497 PolarHBondContact O-N 2.85Å
496A57.8Low74.9Confident0 Ų025.9 Ų25.90%015%0.147CC..  trans-75.830.8-169.600000115.8V465 L467 F476 R477 A492 Y493V465-A496 HydrophobicContact CG2-CB 3.26Å; L467-A496 HydrophobicContact CD1-CB 3.93Å; L467-A496 WeakPolarHBondContact CD1-O 3.26Å; L467-A496 HydrophobicContact CG-CB 3.81Å; L467-A496 WeakPolarHBondContact CG-O 3.31Å; F476-A496 CarbonylContact C-O 3.58Å; F476-A496 WeakPolarHBondContact CB-O 3.26Å; R477-A496 VanDerWaalsContact C-CB 3.44Å; R477-A496 WeakPolarHBondContact O-CA 3.32Å; A492-A496 WeakPolarHBondContact O-CB 3.16Å; A492-A496 PolarHBondContact O-N 3.11Å; Y493-A496 PolarHBondContact O-N 3.39Å
497T48.9Very low74.6Confident46 Ų4628 Ų2828%0.28216%0.158SC..SBendtrans-114.329.5-178.657.80000112.1L439 L467 V494 Q495L439-T497 HydrophobicContact CD1-CG2 4.36Å; L467-T497 HydrophobicContact CD1-CG2 4.02Å; V494-T497 PolarHBondContact O-OG1 3.17Å; Q495-T497 PolarHBondContact O-N 2.85Å
498G36.7Very low74.7Confident21 Ų2125.9 Ų25.922%0.21615%0.149CC..  trans-152.4150173.400000115.3F476F476-G498 VanDerWaalsContact CD1-CA 3.46Å
499D44Very low75Confident56 Ų5625.9 Ų25.930%0.29915%0.149SC..  trans-109.1156.7-177.7-146.4-10.6000109.9F476 A769 G770F476-D499 HydrophobicContact CD1-CB 3.86Å; F476-D499 HydrophobicContact CE1-CB 4Å; D499-A769 CarbonylContact O-C 3.49Å; D499-A769 VanDerWaalsContact O-CB 3.24Å; D499-A769 WeakPolarHBondContact O-CB 3.25Å; D499-G770 PolarHBondContact O-N 3.14Å
500G59.5Low74.9Confident17 Ų1728.1 Ų28.118%0.17516%0.161CC..  trans-41.3166.3-169.200000117G502 P503G500-G502 PolarHBondContact O-N 3.27Å; G500-G502 VanDerWaalsContact O-N 3.1Å; G500-P503 WeakPolarHBondContact O-CD 3.45Å
501I73.3Confident75.1Confident4 Ų431.5 Ų31.52%0.02118%0.176CC..Hα-helixtrans-70.7-10.3-179.267.8166.7000114.7E504 I505 S764 A765 I768 A769 A774I501-E504 WeakPolarHBondContact O-CB 3.43Å; I501-E504 PolarHBondContact O-N 3.41Å; I501-E504 VanDerWaalsContact O-N 3.1Å; I501-I505 HydrophobicContact CD1-CD1 4.37Å; I501-I505 HydrophobicContact CD1-CG2 4.33Å; I501-I505 HydrophobicContact CG1-CD1 4.49Å; I501-I505 WeakPolarHBondContact O-CG1 3.34Å; I501-I505 PolarHBondContact O-N 2.8Å; I501-S764 WeakPolarHBondContact CG1-O 3.48Å; I501-S764 PolarHBondContact N-O 3.07Å; I501-A765 HydrophobicContact CD1-CB 3.73Å; I501-A765 HydrophobicContact CG1-CB 3.99Å; I501-A765 HydrophobicContact CG2-CB 4.18Å; I501-I768 HydrophobicContact CG2-CD1 4.25Å; I501-I768 HydrophobicContact CG2-CG1 3.78Å; I501-A769 HydrophobicContact CG2-CB 4.48Å; I501-A774 HydrophobicContact CB-CB 3.92Å; I501-A774 HydrophobicContact CD1-CB 4.11Å; I501-A774 HydrophobicContact CG2-CB 3.6Å
502G74Confident75.6Confident5 Ų528.2 Ų28.25%0.05216%0.162CC..Hα-helixtrans-52.6-56.7-173.800000114G500 E504 I505 M506G500-G502 PolarHBondContact O-N 3.27Å; G500-G502 VanDerWaalsContact O-N 3.1Å; G502-E504 VanDerWaalsContact C-N 3.3Å; G502-E504 PolarHBondContact O-N 3.07Å; G502-I505 WeakPolarHBondContact O-CG1 3.45Å; G502-M506 VanDerWaalsContact O-CB 3.23Å; G502-M506 WeakPolarHBondContact O-CB 3.38Å; G502-M506 PolarHBondContact O-N 3.42Å
503P73.5Confident76.3Confident92 Ų9228.4 Ų28.460%0.59716%0.163SC*.Hα-helixtrans-58.8-38.1174.6-26.636000113.6G500 M506 N507G500-P503 WeakPolarHBondContact O-CD 3.45Å; P503-M506 PolarHBondContact O-N 3.11Å; P503-N507 WeakPolarHBondContact O-CB 3.45Å; P503-N507 PolarHBondContact O-N 3.18Å
504E79.2Confident76.7Confident33 Ų3330.8 Ų30.815%0.15418%0.184CC..Hα-helixtrans-64-49.3-177.5-167.9-174.6121.800112I501 G502 S508 G770 G772 I773 A774 T823I501-E504 WeakPolarHBondContact O-CB 3.43Å; I501-E504 PolarHBondContact O-N 3.41Å; I501-E504 VanDerWaalsContact O-N 3.1Å; G502-E504 VanDerWaalsContact C-N 3.3Å; G502-E504 PolarHBondContact O-N 3.07Å; E504-S508 PolarHBondContact O-N 3.43Å; E504-S508 PolarHBondContact O-OG 2.89Å; E504-G770 PolarHBondContact OE2-N 2.95Å; E504-G772 VanDerWaalsContact OE1-CA 3.31Å; E504-G772 WeakPolarHBondContact OE1-CA 3.32Å; E504-G772 PolarHBondContact OE2-N 3.28Å; E504-I773 PolarHBondContact OE1-N 3.46Å; E504-A774 WeakPolarHBondContact OE1-CB 3.44Å; E504-A774 PolarHBondContact OE1-N 2.94Å; E504-T823 HydrophobicContact CG-CG2 4.06Å; E504-T823 WeakPolarHBondContact OE1-CB 3.36Å; E504-T823 PolarHBondContact OE1-OG1 3.48Å
505I88.1Confident77.5Confident0 Ų031 Ų310%019%0.187CC..Hα-helixtrans-75.1-32.6178.569-178.2000111.9I501 G502 S508 G509 A561 P760 A774 P776 M779I501-I505 HydrophobicContact CD1-CD1 4.37Å; I501-I505 HydrophobicContact CD1-CG2 4.33Å; I501-I505 HydrophobicContact CG1-CD1 4.49Å; I501-I505 WeakPolarHBondContact O-CG1 3.34Å; I501-I505 PolarHBondContact O-N 2.8Å; G502-I505 WeakPolarHBondContact O-CG1 3.45Å; I505-S508 WeakPolarHBondContact O-CB 3.3Å; I505-S508 PolarHBondContact O-N 3.47Å; I505-G509 PolarHBondContact O-N 3.35Å; I505-A561 HydrophobicContact CD1-CB 4.33Å; I505-P760 HydrophobicContact CD1-CG 4.14Å; I505-A774 HydrophobicContact CG2-CB 4.31Å; I505-P776 HydrophobicContact CB-CB 4.37Å; I505-P776 HydrophobicContact CG2-CB 4.33Å; I505-M779 HydrophobicContact CB-CB 4.07Å; I505-M779 HydrophobicContact CD1-CB 4.3Å; I505-M779 HydrophobicContact CG1-CB 4.06Å; I505-M779 HydrophobicContact CG1-CG 4.36Å; I505-M779 WeakPolarHBondContact O-CG 3.32Å
506M88.4Confident79Confident34 Ų3428.3 Ų28.317%0.16717%0.174CC..Hα-helixtrans-60.7-49174.4179.857.77200110.6G502 P503 S508 G509 L510 L558 M779G502-M506 VanDerWaalsContact O-CB 3.23Å; G502-M506 WeakPolarHBondContact O-CB 3.38Å; G502-M506 PolarHBondContact O-N 3.42Å; P503-M506 PolarHBondContact O-N 3.11Å; M506-S508 PolarHBondContact O-N 3.49Å; M506-G509 WeakPolarHBondContact O-CA 3.48Å; M506-G509 PolarHBondContact O-N 3.37Å; M506-L510 HydrophobicContact CG-CD1 4.2Å; M506-L510 HydrophobicContact CG-CG 4.29Å; M506-L510 WeakPolarHBondContact O-CG 3.21Å; M506-L510 PolarHBondContact O-N 3.13Å; M506-L510 HydrophobicContact SD-CD1 4.46Å; M506-L510 HydrophobicContact SD-CD2 4.25Å; M506-L510 HydrophobicContact SD-CG 4.09Å; M506-L558 HydrophobicContact CE-CB 4.04Å; M506-L558 HydrophobicContact SD-CB 4.35Å; M506-M779 HydrophobicContact CE-CE 3.76Å; M506-M779 HydrophobicContact CE-SD 3.79Å; M506-M779 HydrophobicContact SD-CE 3.93Å; M506-M779 HydrophobicContact SD-SD 4.26Å
507N88.2Confident80.7Confident89 Ų8930.9 Ų30.948%0.47619%0.186SC..Hα-helixtrans-55.7-39.8176.4-178.736.5000111.8P503 L510 Q511P503-N507 WeakPolarHBondContact O-CB 3.45Å; P503-N507 PolarHBondContact O-N 3.18Å; N507-L510 PolarHBondContact O-N 2.99Å; N507-Q511 VanDerWaalsContact CG-NE2 3.33Å; N507-Q511 PolarHBondContact ND2-NE2 2.78Å; N507-Q511 VanDerWaalsContact O-CG 3.29Å; N507-Q511 WeakPolarHBondContact O-CG 3.26Å; N507-Q511 PolarHBondContact O-N 3.22Å; N507-Q511 PolarHBondContact OD1-NE2 2.9Å
508S92.5Very high82.6Confident4 Ų436.4 Ų36.43%0.02821%0.206CC..Hα-helixtrans-63.7-45.2174.6-64.70000112.7E504 I505 M506 L510 Q511 V512 P776 T827E504-S508 PolarHBondContact O-N 3.43Å; E504-S508 PolarHBondContact O-OG 2.89Å; I505-S508 WeakPolarHBondContact O-CB 3.3Å; I505-S508 PolarHBondContact O-N 3.47Å; M506-S508 PolarHBondContact O-N 3.49Å; S508-L510 PolarHBondContact O-N 3.15Å; S508-Q511 PolarHBondContact O-N 3.44Å; S508-V512 WeakPolarHBondContact O-CG2 3.49Å; S508-V512 PolarHBondContact O-N 3.03Å; S508-V512 VanDerWaalsContact O-N 3.1Å; S508-P776 VanDerWaalsContact CB-CB 3.43Å; S508-T827 WeakPolarHBondContact CB-OG1 3.46Å; S508-T827 PolarHBondContact OG-OG1 3.44Å
509G92.8Very high85.1Confident0 Ų040.2 Ų40.20%022%0.217CC..Hα-helixtrans-59.5-43174.500000112.9I505 M506 V512 L513I505-G509 PolarHBondContact O-N 3.35Å; M506-G509 WeakPolarHBondContact O-CA 3.48Å; M506-G509 PolarHBondContact O-N 3.37Å; G509-V512 PolarHBondContact O-N 2.91Å; G509-L513 PolarHBondContact O-N 3.35Å
510L92.2Very high87.3Confident48 Ų4838.5 Ų38.525%0.25121%0.209SC..Hα-helixtrans-67-37.9178.2-65.4-176.3000112.7M506 N507 S508 L513 A514 L526 L558M506-L510 HydrophobicContact CG-CD1 4.2Å; M506-L510 HydrophobicContact CG-CG 4.29Å; M506-L510 WeakPolarHBondContact O-CG 3.21Å; M506-L510 PolarHBondContact O-N 3.13Å; M506-L510 HydrophobicContact SD-CD1 4.46Å; M506-L510 HydrophobicContact SD-CD2 4.25Å; M506-L510 HydrophobicContact SD-CG 4.09Å; N507-L510 PolarHBondContact O-N 2.99Å; S508-L510 PolarHBondContact O-N 3.15Å; L510-L513 PolarHBondContact O-N 3.41Å; L510-A514 WeakPolarHBondContact O-CB 3.47Å; L510-A514 PolarHBondContact O-N 2.92Å; L510-L526 HydrophobicContact CD2-CD1 3.83Å; L510-L558 HydrophobicContact CD2-CD1 4.1Å
511Q95.1Very high88.9Confident70 Ų7043.4 Ų43.433%0.32724%0.236SC..Hα-helixtrans-64.1-41.1174.4-73.1174.951.400111.8N507 S508 A514 A515 T827 I831N507-Q511 VanDerWaalsContact CG-NE2 3.33Å; N507-Q511 PolarHBondContact ND2-NE2 2.78Å; N507-Q511 VanDerWaalsContact O-CG 3.29Å; N507-Q511 WeakPolarHBondContact O-CG 3.26Å; N507-Q511 PolarHBondContact O-N 3.22Å; N507-Q511 PolarHBondContact OD1-NE2 2.9Å; S508-Q511 PolarHBondContact O-N 3.44Å; Q511-A514 PolarHBondContact O-N 3.4Å; Q511-A515 WeakPolarHBondContact O-CB 3.4Å; Q511-A515 PolarHBondContact O-N 2.95Å; Q511-T827 HydrophobicContact CB-CG2 4.21Å; Q511-I831 HydrophobicContact CB-CD1 3.91Å
512V96Very high89.8Confident0 Ų046.9 Ų46.90%025%0.252CS..Hα-helixtrans-65.5-41174.3172.90000111.3S508 G509 A514 A515 I516 I780 I800 T827 V830 I831 L834S508-V512 WeakPolarHBondContact O-CG2 3.49Å; S508-V512 PolarHBondContact O-N 3.03Å; S508-V512 VanDerWaalsContact O-N 3.1Å; G509-V512 PolarHBondContact O-N 2.91Å; V512-A514 PolarHBondContact O-N 3.01Å; V512-A515 PolarHBondContact O-N 3.48Å; V512-I516 WeakPolarHBondContact O-CG2 3.48Å; V512-I516 PolarHBondContact O-N 3.24Å; V512-I780 HydrophobicContact CB-CG2 4.44Å; V512-I780 HydrophobicContact CG1-CG2 4.06Å; V512-I780 HydrophobicContact CG2-CD1 4.04Å; V512-I780 HydrophobicContact CG2-CG1 4.03Å; V512-I780 HydrophobicContact CG2-CG2 4.26Å; V512-I800 HydrophobicContact CG1-CD1 4.03Å; V512-I800 HydrophobicContact CG1-CG1 3.94Å; V512-I800 HydrophobicContact CG1-CG2 4.2Å; V512-T827 HydrophobicContact CG2-CG2 4.41Å; V512-V830 HydrophobicContact CG2-CG1 4.02Å; V512-I831 HydrophobicContact CG2-CG1 4.19Å; V512-L834 HydrophobicContact CG1-CD1 3.8Å
513L95.2Very high90.6Very high4 Ų452.6 Ų52.62%0.02129%0.286CS..Hα-helixtrans-58.7-47.2174.3-178.958.6000111.5G509 L510 A515 I516 E517 F524 L526 V783 M786 L787G509-L513 PolarHBondContact O-N 3.35Å; L510-L513 PolarHBondContact O-N 3.41Å; L513-A515 VanDerWaalsContact C-N 3.31Å; L513-A515 PolarHBondContact O-N 2.85Å; L513-I516 HydrophobicContact CD1-CG2 4.45Å; L513-I516 WeakPolarHBondContact O-CG2 3.21Å; L513-I516 PolarHBondContact O-N 2.96Å; L513-E517 WeakPolarHBondContact O-CB 3.22Å; L513-E517 PolarHBondContact O-N 3.31Å; L513-F524 HydrophobicContact CD1-CD2 3.94Å; L513-F524 HydrophobicContact CD1-CE2 3.96Å; L513-F524 HydrophobicContact CD1-CG 4.47Å; L513-F524 HydrophobicContact CG-CD2 4.44Å; L513-L526 HydrophobicContact CD2-CD2 4.16Å; L513-V783 HydrophobicContact CB-CG1 3.97Å; L513-V783 HydrophobicContact CD1-CG1 3.93Å; L513-V783 HydrophobicContact CG-CG1 4.42Å; L513-M786 HydrophobicContact CD1-CE 4.32Å; L513-M786 HydrophobicContact CD2-CE 4.13Å; L513-L787 HydrophobicContact CD1-CD1 4.4Å; L513-L787 HydrophobicContact CD1-CD2 4.05Å; L513-L787 HydrophobicContact CD1-CG 4.45Å
514A94.2Very high91.5Very high54 Ų5449.7 Ų49.745%0.44626%0.264SS..Hα-helixtrans-64.2-34.417800000112.7L510 Q511 V512L510-A514 WeakPolarHBondContact O-CB 3.47Å; L510-A514 PolarHBondContact O-N 2.92Å; Q511-A514 PolarHBondContact O-N 3.4Å; V512-A514 PolarHBondContact O-N 3.01Å
515A94.5Very high92.2Very high16 Ų1657.6 Ų57.613%0.13230%0.301CS..Hα-helixtrans-68.2-45.1175.900000111.8Q511 V512 L513 I831Q511-A515 WeakPolarHBondContact O-CB 3.4Å; Q511-A515 PolarHBondContact O-N 2.95Å; V512-A515 PolarHBondContact O-N 3.48Å; L513-A515 VanDerWaalsContact C-N 3.31Å; L513-A515 PolarHBondContact O-N 2.85Å; A515-I831 HydrophobicContact CB-CB 4.49Å; A515-I831 HydrophobicContact CB-CG1 4.07Å; A515-I831 HydrophobicContact CB-CG2 3.93Å
516I95Very high92.3Very high1 Ų162.9 Ų62.91%0.00533%0.328CS..Hα-helixtrans-79.5-24.8-176.3-158.559.6000113.4V512 L513 K518 K519 C520 L787 A796 A799 I800 L834V512-I516 WeakPolarHBondContact O-CG2 3.48Å; V512-I516 PolarHBondContact O-N 3.24Å; L513-I516 HydrophobicContact CD1-CG2 4.45Å; L513-I516 WeakPolarHBondContact O-CG2 3.21Å; L513-I516 PolarHBondContact O-N 2.96Å; I516-K518 PolarHBondContact O-N 2.94Å; I516-K519 HydrophobicContact CD1-CB 4.4Å; I516-K519 HydrophobicContact CD1-CD 4.09Å; I516-K519 WeakPolarHBondContact O-CA 3.22Å; I516-K519 WeakPolarHBondContact O-CB 3.43Å; I516-K519 PolarHBondContact O-N 3.18Å; I516-C520 PolarHBondContact O-N 2.9Å; I516-L787 HydrophobicContact CG2-CD1 3.88Å; I516-A796 HydrophobicContact CG1-CB 3.73Å; I516-A799 HydrophobicContact CD1-CB 4.12Å; I516-I800 HydrophobicContact CG1-CG1 4.35Å; I516-I800 HydrophobicContact CG2-CD1 4.17Å; I516-L834 HydrophobicContact CD1-CD1 4.43Å; I516-L834 HydrophobicContact CD1-CD2 4.01Å
517E93.2Very high92.4Very high55 Ų5567.4 Ų67.426%0.25735%0.349SS..Hα-helixtrans-51.8-35-178.7178.8178.4-153.100112.4L513 K519 C520 T523 F524L513-E517 WeakPolarHBondContact O-CB 3.22Å; L513-E517 PolarHBondContact O-N 3.31Å; E517-K519 PolarHBondContact O-N 2.62Å; E517-C520 WeakPolarHBondContact O-CB 3.07Å; E517-C520 PolarHBondContact O-N 3.42Å; E517-T523 VanDerWaalsContact OE1-CA 3.31Å; E517-T523 WeakPolarHBondContact OE1-CA 3.3Å; E517-T523 WeakPolarHBondContact OE1-CG2 3.39Å; E517-F524 HydrophobicContact CB-CD2 4.27Å; E517-F524 HydrophobicContact CB-CE2 4.45Å; E517-F524 HydrophobicContact CG-CD2 3.87Å; E517-F524 HydrophobicContact CG-CE2 4.22Å; E517-F524 PolarHBondContact OE1-N 3.23Å
518K88.5Confident92.4Very high161 Ų16171.9 Ų71.970%0.737%0.367SS*.THydrogen-bonded Turntrans-59.1-18.8176.5-59.4172.5-169.8162.60113.7I516I516-K518 PolarHBondContact O-N 2.94Å
519K89.1Confident92.1Very high101 Ų10173.5 Ų73.544%0.43938%0.375SS..THydrogen-bonded Turntrans-107.3-5.8178.7-62.6-176.7174.5178.60113I516 E517 L834 A837I516-K519 HydrophobicContact CD1-CB 4.4Å; I516-K519 HydrophobicContact CD1-CD 4.09Å; I516-K519 WeakPolarHBondContact O-CA 3.22Å; I516-K519 WeakPolarHBondContact O-CB 3.43Å; I516-K519 PolarHBondContact O-N 3.18Å; E517-K519 PolarHBondContact O-N 2.62Å; K519-L834 PolarHBondContact NZ-O 2.94Å; K519-A837 PolarHBondContact NZ-OXT 2.86Å
520C91.9Very high91.7Very high20 Ų2074.9 Ų74.914%0.13538%0.384CS..SBendtrans-82.5159.5176.1-64.30000111I516 E517 F524 E793 A796I516-C520 PolarHBondContact O-N 2.9Å; E517-C520 WeakPolarHBondContact O-CB 3.07Å; E517-C520 PolarHBondContact O-N 3.42Å; C520-F524 HydrophobicContact CB-CE2 4.28Å; C520-E793 HydrophobicContact CB-CG 4.29Å; C520-A796 VanDerWaalsContact SG-CB 3.56Å
521T92.3Very high91.3Very high121 Ų12173.8 Ų73.874%0.74238%0.377SS*.SBendtrans-83.6-20.5167.566.80000112.8E793T521-E793 VanDerWaalsContact CA-OE1 3.31Å; T521-E793 WeakPolarHBondContact CA-OE1 3.29Å; T521-E793 WeakPolarHBondContact CB-OE1 3.37Å; T521-E793 PolarHBondContact N-OE1 3.44Å; T521-E793 PolarHBondContact N-OE2 2.79Å; T521-E793 PolarHBondContact OG1-OE1 3.2Å
522H92.2Very high90.9Very high77 Ų7770.4 Ų70.436%0.35636%0.362SS..SBendtrans-93.5157.8175.5-61.181.8000112.7F524 F791 E793H522-F524 HydrophobicContact CB-CE1 4.06Å; H522-F524 HydrophobicContact CB-CZ 3.88Å; H522-F791 PolarHBondContact CE1-O 3.34Å; H522-F791 PolarHBondContact ND1-O 3.1Å; H522-E793 IonicContact CE1-OE1 3.33Å; H522-E793 IonicContact CG-OE1 2.95Å; H522-E793 PolarHBondContact N-OE1 2.81Å; H522-E793 IonicContact ND1-OE1 2.66Å; H522-E793 PolarHBondContact ND1-OE1 2.64Å
523T91.5Very high90Very high125 Ų12570.6 Ų70.677%0.76736%0.364SS*.  trans-118.1139.5168.9-56.80000107.5E517E517-T523 VanDerWaalsContact OE1-CA 3.31Å; E517-T523 WeakPolarHBondContact OE1-CA 3.3Å; E517-T523 WeakPolarHBondContact OE1-CG2 3.39Å
524F92Very high89.2Confident30 Ų3072.3 Ų72.313%0.13238%0.379CS..  trans-110.9127.1-170.5-55.4-76.7000111.4L513 E517 C520 H522 L787 F791L513-F524 HydrophobicContact CD1-CD2 3.94Å; L513-F524 HydrophobicContact CD1-CE2 3.96Å; L513-F524 HydrophobicContact CD1-CG 4.47Å; L513-F524 HydrophobicContact CG-CD2 4.44Å; E517-F524 HydrophobicContact CB-CD2 4.27Å; E517-F524 HydrophobicContact CB-CE2 4.45Å; E517-F524 HydrophobicContact CG-CD2 3.87Å; E517-F524 HydrophobicContact CG-CE2 4.22Å; E517-F524 PolarHBondContact OE1-N 3.23Å; C520-F524 HydrophobicContact CB-CE2 4.28Å; H522-F524 HydrophobicContact CB-CE1 4.06Å; H522-F524 HydrophobicContact CB-CZ 3.88Å; F524-L787 HydrophobicContact CE1-CD2 4.09Å; F524-L787 HydrophobicContact CE2-CD2 3.92Å; F524-L787 HydrophobicContact CZ-CD2 3.35Å; F524-F791 HydrophobicContact CD1-CE1 4.48Å; F524-F791 HydrophobicContact CD1-CE2 4.22Å; F524-F791 HydrophobicContact CD1-CZ 4.18Å; F524-F791 HydrophobicContact CE1-CD1 4.03Å; F524-F791 AromaticContact CE1-CD2 3.69Å; F524-F791 HydrophobicContact CE1-CD2 3.69Å; F524-F791 HydrophobicContact CE1-CE1 4.11Å; F524-F791 AromaticContact CE1-CE2 3.76Å; F524-F791 HydrophobicContact CE1-CE2 3.76Å; F524-F791 AromaticContact CE1-CG 3.82Å; F524-F791 HydrophobicContact CE1-CG 3.82Å; F524-F791 AromaticContact CE1-CZ 3.98Å; F524-F791 HydrophobicContact CE1-CZ 3.98Å; F524-F791 HydrophobicContact CZ-CD2 4.44Å; F524-F791 HydrophobicContact CZ-CG 4.49Å
525E92.9Very high88.7Confident199 Ų19969.8 Ų69.893%0.9336%0.357SS*.  trans-100.3126.6166.6-66.9-175.5175.900108.3
526L90.2Very high88.2Confident111 Ų11169.9 Ų69.958%0.58136%0.355SS*.  trans-109.3126.3-176.7-58175.6000109.8L510 L513L510-L526 HydrophobicContact CD2-CD1 3.83Å; L513-L526 HydrophobicContact CD2-CD2 4.16Å
527E90.9Very high87.4Confident129 Ų12972.6 Ų72.660%0.60337%0.37SS*.  trans-110.8109.3169.6-169.3-179.6177.100109.1L529E527-L529 HydrophobicContact CG-CD1 4.15Å; E527-L529 HydrophobicContact CG-CD2 4.39Å; E527-L529 HydrophobicContact CG-CG 4.08Å
528E88Confident86.9Confident183 Ų18376.1 Ų76.186%0.85539%0.387SS*.  trans-83.7128.3176.4-171.7175.8166.200110.3
529L87.4Confident86.7Confident39 Ų3971.4 Ų71.420%0.20438%0.377CS..  trans-139.8143.1-176.6-68.2169.6000111.4E527 K546 T547 A550E527-L529 HydrophobicContact CG-CD1 4.15Å; E527-L529 HydrophobicContact CG-CD2 4.39Å; E527-L529 HydrophobicContact CG-CG 4.08Å; L529-K546 HydrophobicContact CD2-CD 4.13Å; L529-T547 HydrophobicContact CB-CG2 4.09Å; L529-A550 HydrophobicContact CD1-CB 3.13Å
530P83.8Confident86.6Confident29 Ų2969.6 Ų69.619%0.18839%0.387CS..  trans-69.7137.3178.930.3-36.3000110.7A534 E538 T547P530-A534 HydrophobicContact CB-CB 4.09Å; P530-E538 HydrophobicContact CB-CB 4.3Å; P530-E538 HydrophobicContact CB-CG 4.41Å; P530-E538 WeakPolarHBondContact CB-OE2 3.45Å; P530-E538 HydrophobicContact CG-CB 4.4Å; P530-E538 WeakPolarHBondContact CG-OE2 3.48Å; P530-T547 WeakPolarHBondContact O-CG2 3.35Å; P530-T547 PolarHBondContact O-OG1 2.78Å
531F84.2Confident86.5Confident24 Ų2470 Ų7011%0.10539%0.393CS..  trans-150.2155.2179.3179.5-103.7000110.7G533 A534 G535 S542 L543 T547 L559 I562 L578 L581F531-G533 PolarHBondContact O-N 3.34Å; F531-A534 PolarHBondContact O-N 3.41Å; F531-G535 PolarHBondContact O-N 3.37Å; F531-S542 VanDerWaalsContact CD2-O 3.28Å; F531-S542 WeakPolarHBondContact CD2-O 3.39Å; F531-S542 WeakPolarHBondContact CE2-O 3.43Å; F531-L543 HydrophobicContact CD2-CD1 3.85Å; F531-L543 HydrophobicContact CE2-CB 4.12Å; F531-L543 HydrophobicContact CE2-CD1 3.73Å; F531-L543 HydrophobicContact CE2-CG 4.45Å; F531-T547 HydrophobicContact CB-CG2 4.17Å; F531-T547 HydrophobicContact CD2-CG2 4.28Å; F531-L559 HydrophobicContact CD1-CD1 3.37Å; F531-L559 HydrophobicContact CD1-CD2 4.39Å; F531-L559 HydrophobicContact CE1-CD1 3.72Å; F531-L559 HydrophobicContact CE1-CD2 3.89Å; F531-L559 HydrophobicContact CG-CD1 4.39Å; F531-I562 HydrophobicContact CD1-CG2 4.02Å; F531-I562 HydrophobicContact CE1-CD1 3.86Å; F531-I562 HydrophobicContact CE1-CG2 4.19Å; F531-L578 HydrophobicContact CE1-CD1 4.41Å; F531-L578 HydrophobicContact CZ-CB 4.23Å; F531-L578 HydrophobicContact CZ-CD1 4.38Å; F531-L581 HydrophobicContact CE2-CB 4.25Å; F531-L581 HydrophobicContact CE2-CD2 3.97Å; F531-L581 HydrophobicContact CZ-CB 4.33Å; F531-L581 HydrophobicContact CZ-CD2 3.91Å
532G85.4Confident86.4Confident0 Ų064.4 Ų64.40%036%0.358CS..THydrogen-bonded Turntrans62.6-119.3-178.900000110.8G535 I536 S542G532-G535 PolarHBondContact O-N 3.48Å; G532-I536 WeakPolarHBondContact O-CG1 3.3Å; G532-I536 PolarHBondContact O-N 3.35Å; G532-I536 VanDerWaalsContact O-N 3.11Å; G532-S542 WeakPolarHBondContact CA-O 3.45Å; G532-S542 PolarHBondContact N-O 2.9Å
533G77.4Confident86.5Confident4 Ų462.1 Ų62.14%0.04135%0.348CS..Hα-helixtrans-62.1-50.8179.500000113.3F531 G535 I536 D537F531-G533 PolarHBondContact O-N 3.34Å; G533-G535 PolarHBondContact O-N 3.31Å; G533-I536 WeakPolarHBondContact O-CB 3.38Å; G533-I536 PolarHBondContact O-N 3.47Å; G533-I536 VanDerWaalsContact O-N 3.07Å; G533-D537 PolarHBondContact O-N 3.46Å
534A77.6Confident86.6Confident40 Ų4056.6 Ų56.633%0.33132%0.315SS..Hα-helixtrans-59.7-35.917600000112.2P530 F531 D537 E538P530-A534 HydrophobicContact CB-CB 4.09Å; F531-A534 PolarHBondContact O-N 3.41Å; A534-D537 PolarHBondContact O-N 2.95Å; A534-E538 VanDerWaalsContact O-CB 3.31Å; A534-E538 WeakPolarHBondContact O-CB 3.05Å; A534-E538 WeakPolarHBondContact O-CG 3.36Å; A534-E538 PolarHBondContact O-N 2.81Å
535G83.7Confident86.7Confident0 Ų063.6 Ų63.60%035%0.348CS..Hα-helixtrans-60.9-45.1173.700000112.7F531 G532 G533 D537 A539 G540 A541F531-G535 PolarHBondContact O-N 3.37Å; G532-G535 PolarHBondContact O-N 3.48Å; G533-G535 PolarHBondContact O-N 3.31Å; G535-D537 VanDerWaalsContact C-N 3.32Å; G535-A539 CarbonylContact O-C 3.48Å; G535-A539 WeakPolarHBondContact O-CA 2.95Å; G535-A539 WeakPolarHBondContact O-CB 3.33Å; G535-A539 PolarHBondContact O-N 2.82Å; G535-G540 PolarHBondContact O-N 2.8Å; G535-A541 CarbonylContact C-O 3.29Å; G535-A541 VanDerWaalsContact CA-O 3.32Å; G535-A541 WeakPolarHBondContact CA-O 3.28Å; G535-A541 PolarHBondContact O-N 3.5Å
536I85Confident86.8Confident18 Ų1860.8 Ų60.89%0.09233%0.333CS..Hα-helixtrans-62.1-44.6176.4-66.5166.5000110G532 G533 G540 A541 W567 M570 D572 P574G532-I536 WeakPolarHBondContact O-CG1 3.3Å; G532-I536 PolarHBondContact O-N 3.35Å; G532-I536 VanDerWaalsContact O-N 3.11Å; G533-I536 WeakPolarHBondContact O-CB 3.38Å; G533-I536 PolarHBondContact O-N 3.47Å; G533-I536 VanDerWaalsContact O-N 3.07Å; I536-G540 WeakPolarHBondContact O-CA 3.5Å; I536-G540 PolarHBondContact O-N 3.31Å; I536-A541 PolarHBondContact N-O 2.74Å; I536-W567 HydrophobicContact CD1-CB 4.15Å; I536-W567 HydrophobicContact CD1-CG 3.94Å; I536-M570 HydrophobicContact CG2-CE 3.95Å; I536-D572 WeakPolarHBondContact CD1-O 3.48Å; I536-P574 HydrophobicContact CD1-CG 4.27Å
537D78.7Confident86.9Confident58 Ų5855.7 Ų55.731%0.3131%0.306SS..Hα-helixtrans-72.5-42-173-62.2-26.4000112.6G533 A534 G535 K566 W567G533-D537 PolarHBondContact O-N 3.46Å; A534-D537 PolarHBondContact O-N 2.95Å; G535-D537 VanDerWaalsContact C-N 3.32Å; D537-K566 WeakPolarHBondContact OD1-CE 3.28Å; D537-K566 IonicContact OD1-NZ 2.72Å; D537-K566 PolarHBondContact OD1-NZ 3.18Å; D537-K566 IonicContact OD2-NZ 3.67Å; D537-K566 PolarHBondContact OD2-NZ 3.35Å; D537-W567 PolarHBondContact OD1-NE1 3.19Å; D537-W567 WeakPolarHBondContact OD2-CZ2 3.01Å
538E82.4Confident87Confident130 Ų13051.5 Ų51.561%0.60729%0.288SS*.Hα-helixtrans-88-36.5-176.1-67.5178.7-138.200113.7P530 A534P530-E538 HydrophobicContact CB-CB 4.3Å; P530-E538 HydrophobicContact CB-CG 4.41Å; P530-E538 WeakPolarHBondContact CB-OE2 3.45Å; P530-E538 HydrophobicContact CG-CB 4.4Å; P530-E538 WeakPolarHBondContact CG-OE2 3.48Å; A534-E538 VanDerWaalsContact O-CB 3.31Å; A534-E538 WeakPolarHBondContact O-CB 3.05Å; A534-E538 WeakPolarHBondContact O-CG 3.36Å; A534-E538 PolarHBondContact O-N 2.81Å
539A84.5Confident87.4Confident61 Ų6145.4 Ų45.450%0.50427%0.269SS..Hα-helixtrans-124.3-2-169.900000113.9G535 A541 P544G535-A539 CarbonylContact O-C 3.48Å; G535-A539 WeakPolarHBondContact O-CA 2.95Å; G535-A539 WeakPolarHBondContact O-CB 3.33Å; G535-A539 PolarHBondContact O-N 2.82Å; A539-A541 VanDerWaalsContact C-N 3.32Å; A539-A541 PolarHBondContact O-N 2.84Å; A539-P544 HydrophobicContact CB-CB 3.88Å; A539-P544 HydrophobicContact CB-CG 3.72Å
540G87.1Confident87.7Confident63 Ų6344.4 Ų44.465%0.64927%0.266SS*.SBendtrans76.912.1177.800000114.9G535 I536G535-G540 PolarHBondContact O-N 2.8Å; I536-G540 WeakPolarHBondContact O-CA 3.5Å; I536-G540 PolarHBondContact O-N 3.31Å
541A90.3Very high88.1Confident30 Ų3043.8 Ų43.825%0.24826%0.262CS..SBendtrans-148.1138.5179.300000111.4G535 I536 A539 L543 P544G535-A541 CarbonylContact C-O 3.29Å; G535-A541 VanDerWaalsContact CA-O 3.32Å; G535-A541 WeakPolarHBondContact CA-O 3.28Å; G535-A541 PolarHBondContact O-N 3.5Å; I536-A541 PolarHBondContact N-O 2.74Å; A539-A541 VanDerWaalsContact C-N 3.32Å; A539-A541 PolarHBondContact O-N 2.84Å; A541-L543 PolarHBondContact O-N 2.82Å; A541-P544 VanDerWaalsContact O-CD 3.29Å; A541-P544 WeakPolarHBondContact O-CD 3.45Å; A541-P544 WeakPolarHBondContact O-CG 3.27Å
542S90.2Very high88.6Confident3 Ų347.7 Ų47.72%0.02128%0.281CS..SBendtrans-61.9-25.8178.6670000113.5F531 G532 D572 T573 G577F531-S542 VanDerWaalsContact CD2-O 3.28Å; F531-S542 WeakPolarHBondContact CD2-O 3.39Å; F531-S542 WeakPolarHBondContact CE2-O 3.43Å; G532-S542 WeakPolarHBondContact CA-O 3.45Å; G532-S542 PolarHBondContact N-O 2.9Å; S542-D572 WeakPolarHBondContact CB-OD1 3.31Å; S542-D572 WeakPolarHBondContact CB-OD2 3.27Å; S542-D572 PolarHBondContact N-OD2 3.39Å; S542-D572 PolarHBondContact OG-OD1 2.7Å; S542-D572 PolarHBondContact OG-OD2 2.57Å; S542-D572 VanDerWaalsContact OG-OD2 3.08Å; S542-T573 VanDerWaalsContact CB-O 3.3Å; S542-T573 WeakPolarHBondContact CB-O 3.49Å; S542-T573 PolarHBondContact OG-O 3.17Å; S542-G577 WeakPolarHBondContact OG-CA 3.41Å; S542-G577 PolarHBondContact OG-N 2.97Å
543L94Very high89Confident28 Ų2851.8 Ų51.815%0.14731%0.314CS..SBendtrans-128.888.7170.2177.159.3000109.1F531 A541 T547 L548 A580 L581F531-L543 HydrophobicContact CD2-CD1 3.85Å; F531-L543 HydrophobicContact CE2-CB 4.12Å; F531-L543 HydrophobicContact CE2-CD1 3.73Å; F531-L543 HydrophobicContact CE2-CG 4.45Å; A541-L543 PolarHBondContact O-N 2.82Å; L543-T547 HydrophobicContact CD1-CG2 4.43Å; L543-L548 HydrophobicContact CD1-CB 3.99Å; L543-L548 HydrophobicContact CD2-CB 4.44Å; L543-L548 HydrophobicContact CD2-CD1 4.35Å; L543-L548 HydrophobicContact CD2-CD2 4.41Å; L543-L548 HydrophobicContact CG-CB 4.18Å; L543-A580 HydrophobicContact CD2-CB 3.96Å; L543-L581 HydrophobicContact CD1-CB 4.36Å; L543-L581 HydrophobicContact CD1-CD1 3.96Å; L543-L581 HydrophobicContact CD2-CB 4.02Å; L543-L581 HydrophobicContact CD2-CD1 4.45Å
544P93Very high89.8Confident10 Ų1053.3 Ų53.37%0.06533%0.327CS..  trans-60143.4176.3-2334.7000111.3A539 A541 K546 T547 L548A539-P544 HydrophobicContact CB-CB 3.88Å; A539-P544 HydrophobicContact CB-CG 3.72Å; A541-P544 VanDerWaalsContact O-CD 3.29Å; A541-P544 WeakPolarHBondContact O-CD 3.45Å; A541-P544 WeakPolarHBondContact O-CG 3.27Å; P544-K546 PolarHBondContact O-N 2.88Å; P544-T547 WeakPolarHBondContact O-CA 3.17Å; P544-T547 WeakPolarHBondContact O-CB 3.32Å; P544-T547 PolarHBondContact O-N 2.65Å; P544-L548 PolarHBondContact O-N 3.05Å
545E94.1Very high90.5Very high176 Ų17657.8 Ų57.882%0.82235%0.345SS*.Hα-helixtrans-57.5-37.4-178.8-68.3-175168.400112.4L548 A549E545-L548 PolarHBondContact O-N 3.02Å; E545-A549 WeakPolarHBondContact O-CB 3.39Å; E545-A549 PolarHBondContact O-N 2.93Å
546K94.3Very high91Very high140 Ų14058.7 Ų58.761%0.60935%0.353SS*.Hα-helixtrans-61.4-44.9174.8-172-170.3174.3-156.80111.4L529 P544 A549 A550L529-K546 HydrophobicContact CD2-CD 4.13Å; P544-K546 PolarHBondContact O-N 2.88Å; K546-A549 PolarHBondContact O-N 3.44Å; K546-A550 PolarHBondContact O-N 3.03Å
547T92.2Very high91.5Very high5 Ų558.6 Ų58.63%0.03135%0.352CS..Hα-helixtrans-61.9-44.9177.9-53.20000111.1L529 P530 F531 L543 P544 A550 C551L529-T547 HydrophobicContact CB-CG2 4.09Å; P530-T547 WeakPolarHBondContact O-CG2 3.35Å; P530-T547 PolarHBondContact O-OG1 2.78Å; F531-T547 HydrophobicContact CB-CG2 4.17Å; F531-T547 HydrophobicContact CD2-CG2 4.28Å; L543-T547 HydrophobicContact CD1-CG2 4.43Å; P544-T547 WeakPolarHBondContact O-CA 3.17Å; P544-T547 WeakPolarHBondContact O-CB 3.32Å; P544-T547 PolarHBondContact O-N 2.65Å; T547-A550 PolarHBondContact O-N 2.84Å; T547-C551 WeakPolarHBondContact O-CB 3.12Å; T547-C551 PolarHBondContact O-N 3.43Å; T547-C551 PolarHBondContact O-SG 3.06Å
548L94.8Very high92.2Very high40 Ų4057.7 Ų57.721%0.20935%0.347CS..Hα-helixtrans-61.9-45.4176.1178.257.2000112.2L543 P544 E545 A550 C551 Q552 L581 A584L543-L548 HydrophobicContact CD1-CB 3.99Å; L543-L548 HydrophobicContact CD2-CB 4.44Å; L543-L548 HydrophobicContact CD2-CD1 4.35Å; L543-L548 HydrophobicContact CD2-CD2 4.41Å; L543-L548 HydrophobicContact CG-CB 4.18Å; P544-L548 PolarHBondContact O-N 3.05Å; E545-L548 PolarHBondContact O-N 3.02Å; L548-A550 VanDerWaalsContact C-N 3.35Å; L548-A550 PolarHBondContact O-N 3.13Å; L548-C551 PolarHBondContact O-N 3.44Å; L548-Q552 HydrophobicContact CD1-CG 4.24Å; L548-Q552 WeakPolarHBondContact O-CG 3.24Å; L548-Q552 PolarHBondContact O-N 3.47Å; L548-L581 HydrophobicContact CD1-CD1 3.96Å; L548-A584 HydrophobicContact CD1-CB 3.69Å; L548-A584 HydrophobicContact CD2-CB 4.22Å
549A94.9Very high92.6Very high55 Ų5552.2 Ų52.246%0.45532%0.322SS..Hα-helixtrans-62.6-41.3-179.700000112.2E545 K546 Q552 A553E545-A549 WeakPolarHBondContact O-CB 3.39Å; E545-A549 PolarHBondContact O-N 2.93Å; K546-A549 PolarHBondContact O-N 3.44Å; A549-Q552 PolarHBondContact O-N 2.96Å; A549-A553 PolarHBondContact O-N 3.35Å
550A93.9Very high92.7Very high19 Ų1950 Ų5016%0.15731%0.305CS..Hα-helixtrans-65.9-44.3174.800000111.7L529 K546 T547 L548 Q552 A553 A554L529-A550 HydrophobicContact CD1-CB 3.13Å; K546-A550 PolarHBondContact O-N 3.03Å; T547-A550 PolarHBondContact O-N 2.84Å; L548-A550 VanDerWaalsContact C-N 3.35Å; L548-A550 PolarHBondContact O-N 3.13Å; A550-Q552 VanDerWaalsContact C-N 3.26Å; A550-Q552 PolarHBondContact O-N 3.23Å; A550-A553 CarbonylContact O-C 3.46Å; A550-A553 PolarHBondContact O-N 3.4Å; A550-A554 WeakPolarHBondContact O-CB 3.34Å; A550-A554 PolarHBondContact O-N 3.17Å
551C93Very high92.5Very high15 Ų1547.6 Ų47.610%0.10128%0.279CS..Hα-helixtrans-57.4-38.9175-72.30000112.1T547 L548 A553 I557 L581 L585 P755T547-C551 WeakPolarHBondContact O-CB 3.12Å; T547-C551 PolarHBondContact O-N 3.43Å; T547-C551 PolarHBondContact O-SG 3.06Å; L548-C551 PolarHBondContact O-N 3.44Å; C551-A553 VanDerWaalsContact C-N 3.3Å; C551-A553 PolarHBondContact O-N 3.19Å; C551-I557 HydrophobicContact CB-CD1 3.66Å; C551-I557 HydrophobicContact CB-CG1 4.24Å; C551-L581 HydrophobicContact CB-CD1 4.1Å; C551-L585 HydrophobicContact CB-CD1 4.27Å; C551-P755 WeakPolarHBondContact O-CG 3.36Å
552Q93.8Very high91.9Very high107 Ų10747.9 Ų47.950%0.528%0.276SS..Hα-helixtrans-69.3-26176.9-75174.5-24.600113.7L548 A549 A550 L585L548-Q552 HydrophobicContact CD1-CG 4.24Å; L548-Q552 WeakPolarHBondContact O-CG 3.24Å; L548-Q552 PolarHBondContact O-N 3.47Å; A549-Q552 PolarHBondContact O-N 2.96Å; A550-Q552 VanDerWaalsContact C-N 3.26Å; A550-Q552 PolarHBondContact O-N 3.23Å; Q552-L585 HydrophobicContact CB-CD2 4.4Å; Q552-L585 HydrophobicContact CG-CD2 3.57Å
553A93.8Very high90.9Very high85 Ų8548 Ų4870%0.70228%0.278SS*.Hα-helixtrans-93.5-16.1-179.100000113.5A549 A550 C551A549-A553 PolarHBondContact O-N 3.35Å; A550-A553 CarbonylContact O-C 3.46Å; A550-A553 PolarHBondContact O-N 3.4Å; C551-A553 VanDerWaalsContact C-N 3.3Å; C551-A553 PolarHBondContact O-N 3.19Å
554A93.7Very high89.6Confident36 Ų3647.4 Ų47.430%0.29828%0.278SS..  trans-72.6154-177.600000112.7A550 I557 P755A550-A554 WeakPolarHBondContact O-CB 3.34Å; A550-A554 PolarHBondContact O-N 3.17Å; A554-I557 HydrophobicContact CB-CG1 4.37Å; A554-P755 WeakPolarHBondContact O-CB 3.46Å
555D93.9Very high88.3Confident134 Ų13449.6 Ų49.672%0.71729%0.292SS*.SBendtrans-79-29.2170.7-61.8-62.4000112.1F791D555-F791 HydrophobicContact CB-CE1 4Å; D555-F791 HydrophobicContact CB-CZ 4.16Å
556A94.2Very high87Confident20 Ų2042.6 Ų42.617%0.16526%0.259CS..EExtended strand (participates in β ladder)trans-154.5152.8176.200000110.2Y758 M786 F791A556-Y758 HydrophobicContact CB-CD2 4.45Å; A556-Y758 HydrophobicContact CB-CE2 4.02Å; A556-M786 HydrophobicContact CB-CG 3.71Å; A556-M786 HydrophobicContact CB-SD 3.73Å; A556-F791 HydrophobicContact CB-CE2 3.83Å; A556-F791 HydrophobicContact CB-CZ 3.9Å
557I95.4Very high86.1Confident16 Ų1637 Ų378%0.08223%0.234CC..EExtended strand (participates in β ladder)trans-119.7125.2179-58.2158.2000108.3C551 A554 L585 P755 S756 L757 Y758C551-I557 HydrophobicContact CB-CD1 3.66Å; C551-I557 HydrophobicContact CB-CG1 4.24Å; A554-I557 HydrophobicContact CB-CG1 4.37Å; I557-L585 HydrophobicContact CD1-CD1 3.43Å; I557-L585 VanDerWaalsContact CD1-CD1 3.43Å; I557-P755 HydrophobicContact CD1-CB 4.23Å; I557-P755 HydrophobicContact CD1-CG 4.25Å; I557-S756 PolarHBondContact N-O 2.64Å; I557-L757 HydrophobicContact CB-CB 4.27Å; I557-L757 HydrophobicContact CB-CG 4.36Å; I557-L757 HydrophobicContact CG2-CD1 4.15Å; I557-L757 HydrophobicContact CG2-CG 4.16Å; I557-L757 CarbonylContact O-C 3.57Å; I557-L757 WeakPolarHBondContact O-CA 3.19Å; I557-Y758 PolarHBondContact O-N 2.92Å
558L93.1Very high85.1Confident38 Ų3843.3 Ų43.320%0.19926%0.263CS..EExtended strand (participates in β ladder)trans-96.8131.9165.5-67.5-180000108.7M506 L510 M779 V783 M786M506-L558 HydrophobicContact CE-CB 4.04Å; M506-L558 HydrophobicContact SD-CB 4.35Å; L510-L558 HydrophobicContact CD2-CD1 4.1Å; L558-M779 HydrophobicContact CB-CE 4.14Å; L558-M779 HydrophobicContact CD1-CE 4.34Å; L558-M779 HydrophobicContact CD2-CE 3.87Å; L558-M779 HydrophobicContact CG-CE 4.34Å; L558-V783 HydrophobicContact CD1-CG2 4.1Å; L558-V783 HydrophobicContact CD2-CG2 4.34Å; L558-M786 HydrophobicContact CD1-CE 4.21Å; L558-M786 HydrophobicContact CD1-SD 4.22Å; L558-M786 HydrophobicContact CD2-CB 4.34Å; L558-M786 HydrophobicContact CD2-CE 4.27Å; L558-M786 HydrophobicContact CD2-SD 3.61Å; L558-M786 HydrophobicContact CG-CE 4.38Å; L558-M786 HydrophobicContact CG-SD 3.75Å
559L90.8Very high84.3Confident15 Ų1550.3 Ų50.38%0.07929%0.292CS..  trans-127.1124.3177.7174.761000109.6F531 I562 L578 L757 Y758 E759 P760F531-L559 HydrophobicContact CD1-CD1 3.37Å; F531-L559 HydrophobicContact CD1-CD2 4.39Å; F531-L559 HydrophobicContact CE1-CD1 3.72Å; F531-L559 HydrophobicContact CE1-CD2 3.89Å; F531-L559 HydrophobicContact CG-CD1 4.39Å; L559-I562 HydrophobicContact CD1-CG2 3.87Å; L559-L578 HydrophobicContact CD2-CD1 3.6Å; L559-L757 HydrophobicContact CB-CD1 4.4Å; L559-L757 HydrophobicContact CB-CD2 4.18Å; L559-L757 HydrophobicContact CB-CG 4.27Å; L559-L757 HydrophobicContact CD2-CD1 4.08Å; L559-L757 HydrophobicContact CD2-CD2 4.22Å; L559-Y758 PolarHBondContact N-O 3.47Å; L559-E759 HydrophobicContact CB-CB 4.12Å; L559-E759 WeakPolarHBondContact CD2-OE2 3.2Å; L559-E759 HydrophobicContact CG-CB 4.46Å; L559-E759 WeakPolarHBondContact O-CA 3.48Å; L559-P760 WeakPolarHBondContact O-CD 3.36Å
560G85.5Confident83.5Confident14 Ų1452.1 Ų52.114%0.14429%0.293CS..  trans-78.2169.1172.600000111.8I562G560-I562 WeakPolarHBondContact O-CG2 3.44Å; G560-I562 PolarHBondContact O-N 2.98Å
561A83.5Confident82.9Confident14 Ų1459.9 Ų59.912%0.11633%0.326CS..  trans-59.9128.2176.300000111.1I505 P760 G763I505-A561 HydrophobicContact CD1-CB 4.33Å; A561-P760 HydrophobicContact CB-CG 4.3Å; A561-G763 WeakPolarHBondContact CB-O 3.28Å
562I78.4Confident82.6Confident36 Ų3661.9 Ų61.919%0.18534%0.335CS..  trans-113.6174.2-179.266.6171.7000111.6F531 L559 G560 P574 L578F531-I562 HydrophobicContact CD1-CG2 4.02Å; F531-I562 HydrophobicContact CE1-CD1 3.86Å; F531-I562 HydrophobicContact CE1-CG2 4.19Å; L559-I562 HydrophobicContact CD1-CG2 3.87Å; G560-I562 WeakPolarHBondContact O-CG2 3.44Å; G560-I562 PolarHBondContact O-N 2.98Å; I562-P574 HydrophobicContact CB-CB 4.31Å; I562-P574 HydrophobicContact CD1-CB 4.08Å; I562-P574 WeakPolarHBondContact CD1-O 3.21Å; I562-P574 HydrophobicContact CG1-CB 4.36Å; I562-L578 HydrophobicContact CD1-CB 3.78Å; I562-L578 HydrophobicContact CD1-CD2 3.88Å; I562-L578 HydrophobicContact CD1-CG 4.32Å
563G69.4Low82.3Confident6 Ų657.6 Ų57.66%0.06232%0.316CS..  trans89.9172.2175.900000111.5W567 S764G563-W567 WeakPolarHBondContact O-CZ3 3.5Å; G563-S764 WeakPolarHBondContact O-CB 3.39Å; G563-S764 PolarHBondContact O-OG 3.46Å
564G65.8Low81.8Confident14 Ų1453.5 Ų53.514%0.14428%0.283CS..  trans153.2163.8179.400000111.5K566 W567G564-K566 PolarHBondContact O-N 2.91Å; G564-W567 PolarHBondContact O-N 3.45Å; G564-W567 VanDerWaalsContact O-N 3.11Å
565P66.9Low81.4Confident56 Ų5656 Ų5636%0.36429%0.288SS..THydrogen-bonded Turntrans-56.8-16.9-173.8-26.434.7000114.7P766P565-P766 HydrophobicContact CG-CG 4.38Å
566K66.6Low81.1Confident29 Ų2954.8 Ų54.813%0.12628%0.276CS..THydrogen-bonded Turntrans-59.8-42.7175.8-179.2159.8171-170.90114.9E475 R477 D537 G564E475-K566 VanDerWaalsContact CD-NZ 3.28Å; E475-K566 WeakPolarHBondContact OE2-CE 3.43Å; E475-K566 IonicContact OE2-NZ 3.66Å; E475-K566 PolarHBondContact OE2-NZ 2.87Å; R477-K566 VanDerWaalsContact CZ-CG 3.41Å; R477-K566 VanDerWaalsContact NE-CB 3.3Å; D537-K566 WeakPolarHBondContact OD1-CE 3.28Å; D537-K566 IonicContact OD1-NZ 2.72Å; D537-K566 PolarHBondContact OD1-NZ 3.18Å; D537-K566 IonicContact OD2-NZ 3.67Å; D537-K566 PolarHBondContact OD2-NZ 3.35Å; G564-K566 PolarHBondContact O-N 2.91Å
567W75.8Confident80.9Confident22 Ų2253.8 Ų53.88%0.08327%0.268CS..THydrogen-bonded Turntrans-108.30.3-167-48.9-81.9000112.4I536 D537 G563 G564 K569 M570 T573 P574I536-W567 HydrophobicContact CD1-CB 4.15Å; I536-W567 HydrophobicContact CD1-CG 3.94Å; D537-W567 PolarHBondContact OD1-NE1 3.19Å; D537-W567 WeakPolarHBondContact OD2-CZ2 3.01Å; G563-W567 WeakPolarHBondContact O-CZ3 3.5Å; G564-W567 PolarHBondContact O-N 3.45Å; G564-W567 VanDerWaalsContact O-N 3.11Å; W567-K569 VanDerWaalsContact C-N 3.29Å; W567-K569 PolarHBondContact O-N 3.08Å; W567-M570 HydrophobicContact CB-CG 4.41Å; W567-M570 WeakPolarHBondContact O-CB 3.41Å; W567-M570 PolarHBondContact O-N 3.14Å; W567-T573 WeakPolarHBondContact O-CG2 3.49Å; W567-P574 HydrophobicContact CB-CG 3.79Å; W567-P574 HydrophobicContact CD2-CG 3.82Å; W567-P574 HydrophobicContact CE3-CG 3.78Å; W567-P574 HydrophobicContact CG-CG 3.85Å
568E70.8Confident80.6Confident138 Ų13854 Ų5465%0.64527%0.269SS*.THydrogen-bonded Turntrans-57-35.5-175.9-75-178.4-178.400114.2
569K76.7Confident80.4Confident187 Ų18754.9 Ų54.981%0.81327%0.274SS*.THydrogen-bonded Turntrans-95.80.9-178.6-63.6-178.7-175.7170.40113.4W567W567-K569 VanDerWaalsContact C-N 3.29Å; W567-K569 PolarHBondContact O-N 3.08Å
570M78.8Confident80.4Confident94 Ų9456.3 Ų56.346%0.46329%0.288SS..SBendtrans-75.5150.2-178.3-66.6-72.2-83.700110.6I536 W567 D572 T573I536-M570 HydrophobicContact CG2-CE 3.95Å; W567-M570 HydrophobicContact CB-CG 4.41Å; W567-M570 WeakPolarHBondContact O-CB 3.41Å; W567-M570 PolarHBondContact O-N 3.14Å; M570-D572 VanDerWaalsContact C-N 3.29Å; M570-D572 WeakPolarHBondContact CB-O 3.48Å; M570-T573 VanDerWaalsContact O-CG2 3.28Å; M570-T573 WeakPolarHBondContact O-CG2 3.23Å
571Q82.5Confident80.7Confident182 Ų18255.8 Ų55.885%0.8528%0.282SS*.SBendtrans-65.1-38.7173.9-175.3177.1-0.900111.1K576Q571-K576 WeakPolarHBondContact O-CD 3.32Å; Q571-K576 PolarHBondContact O-NZ 2.92Å
572D85.3Confident81.1Confident57 Ų5756.1 Ų56.131%0.30528%0.28SS..SBendtrans-105.9120.3170.7-172.218.9000108.5I536 S542 M570I536-D572 WeakPolarHBondContact CD1-O 3.48Å; S542-D572 WeakPolarHBondContact CB-OD1 3.31Å; S542-D572 WeakPolarHBondContact CB-OD2 3.27Å; S542-D572 PolarHBondContact N-OD2 3.39Å; S542-D572 PolarHBondContact OG-OD1 2.7Å; S542-D572 PolarHBondContact OG-OD2 2.57Å; S542-D572 VanDerWaalsContact OG-OD2 3.08Å; M570-D572 VanDerWaalsContact C-N 3.29Å; M570-D572 WeakPolarHBondContact CB-O 3.48Å
573T88.1Confident81.6Confident16 Ų1661.7 Ų61.710%0.09830%0.303CS..  trans-116.9157.3-176.879.80000109.7S542 W567 M570 E575 K576 G577S542-T573 VanDerWaalsContact CB-O 3.3Å; S542-T573 WeakPolarHBondContact CB-O 3.49Å; S542-T573 PolarHBondContact OG-O 3.17Å; W567-T573 WeakPolarHBondContact O-CG2 3.49Å; M570-T573 VanDerWaalsContact O-CG2 3.28Å; M570-T573 WeakPolarHBondContact O-CG2 3.23Å; T573-E575 WeakPolarHBondContact CB-OE2 3.2Å; T573-E575 PolarHBondContact O-N 2.74Å; T573-E575 PolarHBondContact OG1-OE2 3.12Å; T573-K576 WeakPolarHBondContact O-CA 3.25Å; T573-K576 WeakPolarHBondContact O-CB 3.06Å; T573-K576 PolarHBondContact O-N 2.98Å; T573-K576 PolarHBondContact OG1-N 3.47Å; T573-G577 PolarHBondContact O-N 3.15Å
574P83.7Confident82.7Confident0 Ų063.6 Ų63.60%032%0.319CS..Hα-helixtrans-52.5-38.6175.5-29.437000113.2I536 I562 W567 G577 L578I536-P574 HydrophobicContact CD1-CG 4.27Å; I562-P574 HydrophobicContact CB-CB 4.31Å; I562-P574 HydrophobicContact CD1-CB 4.08Å; I562-P574 WeakPolarHBondContact CD1-O 3.21Å; I562-P574 HydrophobicContact CG1-CB 4.36Å; W567-P574 HydrophobicContact CB-CG 3.79Å; W567-P574 HydrophobicContact CD2-CG 3.82Å; W567-P574 HydrophobicContact CE3-CG 3.78Å; W567-P574 HydrophobicContact CG-CG 3.85Å; P574-G577 PolarHBondContact O-N 2.68Å; P574-L578 PolarHBondContact O-N 3.17Å
575E85.1Confident83.9Confident87 Ų8763.7 Ų63.741%0.40732%0.315SS..Hα-helixtrans-66.7-38.4177.3-54.474.6-162.600111.5T573 G577 L578 L579T573-E575 WeakPolarHBondContact CB-OE2 3.2Å; T573-E575 PolarHBondContact O-N 2.74Å; T573-E575 PolarHBondContact OG1-OE2 3.12Å; E575-G577 VanDerWaalsContact C-N 3.34Å; E575-L578 PolarHBondContact O-N 3.33Å; E575-L579 WeakPolarHBondContact O-CG 3.44Å; E575-L579 PolarHBondContact O-N 2.62Å
576K87.2Confident85.1Confident109 Ų10963.9 Ų63.947%0.47431%0.314SS..Hα-helixtrans-64.1-40.5171.5-72.6-176.7-178.1177.10111.5Q571 T573 L578 L579 A580Q571-K576 WeakPolarHBondContact O-CD 3.32Å; Q571-K576 PolarHBondContact O-NZ 2.92Å; T573-K576 WeakPolarHBondContact O-CA 3.25Å; T573-K576 WeakPolarHBondContact O-CB 3.06Å; T573-K576 PolarHBondContact O-N 2.98Å; T573-K576 PolarHBondContact OG1-N 3.47Å; K576-L578 VanDerWaalsContact C-N 3.33Å; K576-L578 PolarHBondContact O-N 3.14Å; K576-L579 PolarHBondContact O-N 3.12Å; K576-A580 VanDerWaalsContact O-CB 3.32Å; K576-A580 WeakPolarHBondContact O-CB 3.49Å; K576-A580 PolarHBondContact O-N 3.26Å
577G90.4Very high86.3Confident0 Ų062.5 Ų62.50%031%0.308CS..Hα-helixtrans-58.9-43.217300000112.5S542 T573 P574 E575 A580 L581S542-G577 WeakPolarHBondContact OG-CA 3.41Å; S542-G577 PolarHBondContact OG-N 2.97Å; T573-G577 PolarHBondContact O-N 3.15Å; P574-G577 PolarHBondContact O-N 2.68Å; E575-G577 VanDerWaalsContact C-N 3.34Å; G577-A580 PolarHBondContact O-N 2.98Å; G577-L581 WeakPolarHBondContact O-CB 3.48Å; G577-L581 PolarHBondContact O-N 3.12Å
578L88.8Confident87.2Confident19 Ų1962.2 Ų62.210%0.09931%0.307CS..Hα-helixtrans-65.5-43.4176.1-175.157.9000112.7F531 L559 I562 P574 E575 K576 A580 L581 R582F531-L578 HydrophobicContact CE1-CD1 4.41Å; F531-L578 HydrophobicContact CZ-CB 4.23Å; F531-L578 HydrophobicContact CZ-CD1 4.38Å; L559-L578 HydrophobicContact CD2-CD1 3.6Å; I562-L578 HydrophobicContact CD1-CB 3.78Å; I562-L578 HydrophobicContact CD1-CD2 3.88Å; I562-L578 HydrophobicContact CD1-CG 4.32Å; P574-L578 PolarHBondContact O-N 3.17Å; E575-L578 PolarHBondContact O-N 3.33Å; K576-L578 VanDerWaalsContact C-N 3.33Å; K576-L578 PolarHBondContact O-N 3.14Å; L578-A580 VanDerWaalsContact C-N 3.32Å; L578-A580 PolarHBondContact O-N 3.1Å; L578-L581 PolarHBondContact O-N 3.07Å; L578-R582 HydrophobicContact CD1-CG 4.42Å; L578-R582 WeakPolarHBondContact O-CB 3.2Å; L578-R582 VanDerWaalsContact O-CG 3.24Å; L578-R582 WeakPolarHBondContact O-CG 3.44Å; L578-R582 PolarHBondContact O-N 2.83Å
579L89.2Confident88.4Confident57 Ų5755.7 Ų55.730%0.29828%0.277SS..Hα-helixtrans-63.3-39.6173.4-68.6174000111.7E575 K576 K583 F628E575-L579 WeakPolarHBondContact O-CG 3.44Å; E575-L579 PolarHBondContact O-N 2.62Å; K576-L579 PolarHBondContact O-N 3.12Å; L579-K583 VanDerWaalsContact O-CB 3.32Å; L579-K583 WeakPolarHBondContact O-CB 3.29Å; L579-K583 PolarHBondContact O-N 3.27Å; L579-F628 HydrophobicContact CB-CE1 4.48Å; L579-F628 HydrophobicContact CD2-CE1 4.33Å; L579-F628 HydrophobicContact CD2-CE2 4.08Å; L579-F628 HydrophobicContact CD2-CZ 3.61Å
580A91Very high89.3Confident45 Ų4546.8 Ų46.837%0.37224%0.238SC..Hα-helixtrans-64.9-43.6176.200000111.8L543 K576 G577 L578 K583 A584L543-A580 HydrophobicContact CD2-CB 3.96Å; K576-A580 VanDerWaalsContact O-CB 3.32Å; K576-A580 WeakPolarHBondContact O-CB 3.49Å; K576-A580 PolarHBondContact O-N 3.26Å; G577-A580 PolarHBondContact O-N 2.98Å; L578-A580 VanDerWaalsContact C-N 3.32Å; L578-A580 PolarHBondContact O-N 3.1Å; A580-K583 PolarHBondContact O-N 2.97Å; A580-A584 VanDerWaalsContact O-CB 3.27Å; A580-A584 WeakPolarHBondContact O-CB 3.17Å; A580-A584 PolarHBondContact O-N 3.13Å
581L91.7Very high90.1Very high3 Ų342.6 Ų42.62%0.01622%0.217CC..Hα-helixtrans-62.6-49.8176.5-178.363.2000111F531 L543 L548 C551 G577 L578 K583 A584 L585 L757F531-L581 HydrophobicContact CE2-CB 4.25Å; F531-L581 HydrophobicContact CE2-CD2 3.97Å; F531-L581 HydrophobicContact CZ-CB 4.33Å; F531-L581 HydrophobicContact CZ-CD2 3.91Å; L543-L581 HydrophobicContact CD1-CB 4.36Å; L543-L581 HydrophobicContact CD1-CD1 3.96Å; L543-L581 HydrophobicContact CD2-CB 4.02Å; L543-L581 HydrophobicContact CD2-CD1 4.45Å; L548-L581 HydrophobicContact CD1-CD1 3.96Å; C551-L581 HydrophobicContact CB-CD1 4.1Å; G577-L581 WeakPolarHBondContact O-CB 3.48Å; G577-L581 PolarHBondContact O-N 3.12Å; L578-L581 PolarHBondContact O-N 3.07Å; L581-K583 VanDerWaalsContact C-N 3.29Å; L581-K583 PolarHBondContact O-N 3.47Å; L581-A584 PolarHBondContact O-N 3.4Å; L581-A584 VanDerWaalsContact O-N 3.16Å; L581-L585 HydrophobicContact CD1-CD1 3.65Å; L581-L585 HydrophobicContact CD1-CG 4.04Å; L581-L585 HydrophobicContact CG-CD1 4.01Å; L581-L585 WeakPolarHBondContact O-CB 3.37Å; L581-L585 PolarHBondContact O-N 3.12Å; L581-L757 HydrophobicContact CD2-CD1 3.73Å
582R90.8Very high90.7Very high22 Ų2234.7 Ų34.78%0.08318%0.18CC..Hα-helixtrans-56.3-43.1176.6-73.9167.9175.1175.60.1111.8L578 N586 L587 L622 E759L578-R582 HydrophobicContact CD1-CG 4.42Å; L578-R582 WeakPolarHBondContact O-CB 3.2Å; L578-R582 VanDerWaalsContact O-CG 3.24Å; L578-R582 WeakPolarHBondContact O-CG 3.44Å; L578-R582 PolarHBondContact O-N 2.83Å; R582-N586 WeakPolarHBondContact O-CA 3.22Å; R582-N586 PolarHBondContact O-N 3.45Å; R582-L587 HydrophobicContact CB-CB 4.36Å; R582-L587 HydrophobicContact CG-CB 4.38Å; R582-L587 HydrophobicContact CG-CD1 4.05Å; R582-L587 PolarHBondContact O-N 3.33Å; R582-L622 HydrophobicContact CG-CD2 3.98Å; R582-E759 IonicContact CZ-OE1 3.98Å; R582-E759 IonicContact NH2-OE1 3.9Å; R582-E759 PolarHBondContact NH2-OE1 2.9Å; R582-E759 IonicContact NH2-OE2 2.68Å
583K89.6Confident91.1Very high152 Ų15233.4 Ų33.466%0.66117%0.174SC*.Hα-helixtrans-66.1-46.5175.6-175.1176.7-179.4177.40112.3L579 A580 L581 L585 N586 F628L579-K583 VanDerWaalsContact O-CB 3.32Å; L579-K583 WeakPolarHBondContact O-CB 3.29Å; L579-K583 PolarHBondContact O-N 3.27Å; A580-K583 PolarHBondContact O-N 2.97Å; L581-K583 VanDerWaalsContact C-N 3.29Å; L581-K583 PolarHBondContact O-N 3.47Å; K583-L585 VanDerWaalsContact C-N 3.31Å; K583-L585 PolarHBondContact O-N 3.04Å; K583-N586 PolarHBondContact O-N 3.35Å; K583-N586 VanDerWaalsContact O-N 3.16Å; K583-F628 HydrophobicContact CB-CE1 4.28Å
584A91.4Very high91.4Very high47 Ų4732.7 Ų32.739%0.38817%0.17SC..Hα-helixtrans-66.1-33.8-176.400000112.8L548 A580 L581L548-A584 HydrophobicContact CD1-CB 3.69Å; L548-A584 HydrophobicContact CD2-CB 4.22Å; A580-A584 VanDerWaalsContact O-CB 3.27Å; A580-A584 WeakPolarHBondContact O-CB 3.17Å; A580-A584 PolarHBondContact O-N 3.13Å; L581-A584 PolarHBondContact O-N 3.4Å; L581-A584 VanDerWaalsContact O-N 3.16Å
585L91.9Very high91.7Very high15 Ų1536.1 Ų36.18%0.07919%0.194CC..THydrogen-bonded Turntrans-90.3-2.5175.8-63.8-179.8000113.2C551 Q552 I557 L581 K583 L587 S751 P755C551-L585 HydrophobicContact CB-CD1 4.27Å; Q552-L585 HydrophobicContact CB-CD2 4.4Å; Q552-L585 HydrophobicContact CG-CD2 3.57Å; I557-L585 HydrophobicContact CD1-CD1 3.43Å; I557-L585 VanDerWaalsContact CD1-CD1 3.43Å; L581-L585 HydrophobicContact CD1-CD1 3.65Å; L581-L585 HydrophobicContact CD1-CG 4.04Å; L581-L585 HydrophobicContact CG-CD1 4.01Å; L581-L585 WeakPolarHBondContact O-CB 3.37Å; L581-L585 PolarHBondContact O-N 3.12Å; K583-L585 VanDerWaalsContact C-N 3.31Å; K583-L585 PolarHBondContact O-N 3.04Å; L585-L587 HydrophobicContact CB-CD1 4.31Å; L585-L587 HydrophobicContact CB-CD2 4.15Å; L585-L587 HydrophobicContact CB-CG 3.8Å; L585-L587 HydrophobicContact CD1-CD1 4.2Å; L585-L587 HydrophobicContact CD1-CG 4.49Å; L585-L587 PolarHBondContact O-N 3.35Å; L585-S751 WeakPolarHBondContact O-CB 3.42Å; L585-P755 HydrophobicContact CD2-CG 4.24Å
586N91.4Very high91.9Very high61 Ų6132.9 Ų32.933%0.32618%0.18SC..THydrogen-bonded Turntrans51.740.9-173.5-170.536.9000112.7R582 K583 F588 R652 S751R582-N586 WeakPolarHBondContact O-CA 3.22Å; R582-N586 PolarHBondContact O-N 3.45Å; K583-N586 PolarHBondContact O-N 3.35Å; K583-N586 VanDerWaalsContact O-N 3.16Å; N586-F588 PolarHBondContact O-N 3.1Å; N586-R652 PolarHBondContact OD1-NH1 2.68Å; N586-S751 WeakPolarHBondContact O-CA 3.37Å
587L92.9Very high91.8Very high0 Ų028.6 Ų28.60%016%0.164CC..EExtended strand (participates in β ladder)trans-70.1100174.7-59.1174.2000108.4R582 L585 L622 S749 H750 P755 L757R582-L587 HydrophobicContact CB-CB 4.36Å; R582-L587 HydrophobicContact CG-CB 4.38Å; R582-L587 HydrophobicContact CG-CD1 4.05Å; R582-L587 PolarHBondContact O-N 3.33Å; L585-L587 HydrophobicContact CB-CD1 4.31Å; L585-L587 HydrophobicContact CB-CD2 4.15Å; L585-L587 HydrophobicContact CB-CG 3.8Å; L585-L587 HydrophobicContact CD1-CD1 4.2Å; L585-L587 HydrophobicContact CD1-CG 4.49Å; L585-L587 PolarHBondContact O-N 3.35Å; L587-L622 HydrophobicContact CB-CD2 4.23Å; L587-S749 VanDerWaalsContact CD2-O 3.3Å; L587-S749 WeakPolarHBondContact CD2-O 3.49Å; L587-H750 CarbonylContact C-O 3.46Å; L587-H750 WeakPolarHBondContact CA-O 3.4Å; L587-P755 WeakPolarHBondContact CD2-O 3.35Å; L587-L757 HydrophobicContact CD1-CB 3.76Å; L587-L757 HydrophobicContact CD1-CD1 4.07Å; L587-L757 HydrophobicContact CD1-CG 4.5Å
588F94.3Very high91.7Very high15 Ų1532.6 Ų32.67%0.06619%0.192CC..EExtended strand (participates in β ladder)trans-106.3-24.5-170.475.6-89000113.8N586 E621 L622 S623 R652 I653 H750 D752N586-F588 PolarHBondContact O-N 3.1Å; F588-E621 CarbonylContact O-C 3.56Å; F588-E621 WeakPolarHBondContact O-CA 3.2Å; F588-L622 PolarHBondContact O-N 3.36Å; F588-S623 WeakPolarHBondContact CB-OG 3.34Å; F588-R652 HydrophobicContact CD2-CB 4.34Å; F588-R652 HydrophobicContact CD2-CG 3.69Å; F588-R652 HydrophobicContact CE2-CB 3.93Å; F588-R652 HydrophobicContact CE2-CG 3.8Å; F588-R652 HydrophobicContact CG-CG 4.4Å; F588-R652 HydrophobicContact CZ-CB 4.4Å; F588-I653 HydrophobicContact CD2-CB 4.45Å; F588-I653 HydrophobicContact CD2-CD1 4.37Å; F588-I653 HydrophobicContact CE2-CD1 4.48Å; F588-H750 PolarHBondContact N-O 3.09Å; F588-D752 HydrophobicContact CD1-CB 4.28Å; F588-D752 HydrophobicContact CE1-CB 4.03Å
589A95.7Very high91.7Very high1 Ų132.4 Ų32.41%0.00819%0.193CC..EExtended strand (participates in β ladder)trans-115.4107.3-177.600000110.5I591 I653 S749 H750A589-I591 HydrophobicContact CB-CD1 4.31Å; A589-I653 HydrophobicContact CB-CD1 3.41Å; A589-I653 VanDerWaalsContact CB-CD1 3.41Å; A589-S749 CarbonylContact O-C 3.42Å; A589-S749 WeakPolarHBondContact O-CA 3.48Å; A589-H750 HydrophobicContact CB-CB 4.49Å; A589-H750 PolarHBondContact N-O 2.97Å; A589-H750 PolarHBondContact O-N 3.28Å
590N96Very high91.7Very high0 Ų030 Ų300%018%0.181CC..EExtended strand (participates in β ladder)trans-92.1124.3169.4-175.7-108.6000109.6R592 V619 R620 L622 A748 S749N590-R592 WeakPolarHBondContact OD1-CD 3.42Å; N590-R592 WeakPolarHBondContact OD1-CG 3.44Å; N590-R592 PolarHBondContact OD1-NE 2.97Å; N590-V619 CarbonylContact O-C 3.54Å; N590-V619 WeakPolarHBondContact O-CA 3.32Å; N590-R620 HydrophobicContact CB-CB 4.21Å; N590-R620 PolarHBondContact N-O 2.98Å; N590-R620 PolarHBondContact O-N 3.39Å; N590-L622 HydrophobicContact CB-CB 4.25Å; N590-L622 HydrophobicContact CB-CD1 3.92Å; N590-L622 HydrophobicContact CB-CD2 4.05Å; N590-L622 HydrophobicContact CB-CG 4.28Å; N590-A748 CarbonylContact C-O 3.46Å; N590-A748 VanDerWaalsContact CA-O 3.32Å; N590-A748 WeakPolarHBondContact CA-O 3.39Å; N590-A748 PolarHBondContact ND2-O 3.01Å; N590-S749 PolarHBondContact ND2-OG 3.13Å
591I95.6Very high91.7Very high7 Ų729 Ų294%0.03617%0.169CC..EExtended strand (participates in β ladder)trans-113.2115-177-47-57.2000107.7A589 I617 V619 I660 S747 A748A589-I591 HydrophobicContact CB-CD1 4.31Å; I591-I617 HydrophobicContact CG2-CG2 3.58Å; I591-V619 HydrophobicContact CD1-CB 4.23Å; I591-V619 HydrophobicContact CD1-CG1 3.77Å; I591-V619 HydrophobicContact CD1-CG2 3.86Å; I591-I660 HydrophobicContact CD1-CD1 3.63Å; I591-I660 HydrophobicContact CG1-CD1 4.26Å; I591-I660 HydrophobicContact CG2-CD1 4.14Å; I591-S747 WeakPolarHBondContact O-CA 3.43Å; I591-A748 PolarHBondContact N-O 2.99Å; I591-A748 PolarHBondContact O-N 2.8Å
592R94.7Very high91.6Very high15 Ų1534.8 Ų34.86%0.05720%0.196CC..EExtended strand (participates in β ladder)trans-118.896179.6-73.9-180179.2-155.2-8.4109.5N590 I618 S732 D733 I761N590-R592 WeakPolarHBondContact OD1-CD 3.42Å; N590-R592 WeakPolarHBondContact OD1-CG 3.44Å; N590-R592 PolarHBondContact OD1-NE 2.97Å; R592-I618 HydrophobicContact CB-CB 4.43Å; R592-I618 PolarHBondContact N-O 2.93Å; R592-I618 PolarHBondContact O-N 2.94Å; R592-S732 VanDerWaalsContact CD-OG 3.31Å; R592-S732 WeakPolarHBondContact CD-OG 3.44Å; R592-S732 PolarHBondContact NH1-OG 3.43Å; R592-D733 IonicContact NH1-OD1 2.97Å; R592-D733 PolarHBondContact NH1-OD1 2.94Å; R592-I761 HydrophobicContact CG-CG2 4.06Å
593P94.1Very high91.5Very high30 Ų3036 Ų3620%0.19520%0.204CC..EExtended strand (participates in β ladder)trans-71.2140.417230.2-33.1000110.4I617 P746 M785P593-I617 HydrophobicContact CB-CG1 4.32Å; P593-P746 HydrophobicContact CG-CG 4.04Å; P593-M785 HydrophobicContact CG-CE 4.16Å; P593-M785 HydrophobicContact CG-SD 3.91Å
594V93.3Very high91.6Very high1 Ų129.4 Ų29.41%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-130.4103.9178-175.10000107.9D615 L616 A735 L738 L745V594-D615 WeakPolarHBondContact O-CA 3.1Å; V594-L616 HydrophobicContact CB-CD1 3.96Å; V594-L616 HydrophobicContact CB-CG 4.12Å; V594-L616 HydrophobicContact CG2-CD1 4.08Å; V594-L616 PolarHBondContact N-O 3.12Å; V594-L616 PolarHBondContact O-N 3.43Å; V594-A735 HydrophobicContact CG1-CB 4.35Å; V594-A735 WeakPolarHBondContact CG1-O 3.17Å; V594-A735 HydrophobicContact CG2-CB 3.86Å; V594-L738 HydrophobicContact CG1-CB 4.48Å; V594-L738 HydrophobicContact CG1-CD1 4.27Å; V594-L745 HydrophobicContact CG1-CD1 4.31Å; V594-L745 HydrophobicContact CG2-CD1 3.96Å
595S90.6Very high91.5Very high72 Ų7231.9 Ų31.950%0.50319%0.189SC..EExtended strand (participates in β ladder)trans-121.2139.5173.258.90000109.6T614S595-T614 WeakPolarHBondContact CA-O 3.38Å
596V89.1Confident91.6Very high19 Ų1933.2 Ų33.212%0.11520%0.195CC..  trans-102.1107.8-179.6-178.60000109.4L601 L611 T614 L738 P739V596-L601 HydrophobicContact CG1-CD2 3.58Å; V596-L601 HydrophobicContact CG1-CG 4.26Å; V596-L611 HydrophobicContact CG1-CB 4.32Å; V596-T614 HydrophobicContact CG2-CG2 4.27Å; V596-T614 PolarHBondContact N-O 3Å; V596-L738 HydrophobicContact CG2-CB 4.08Å; V596-P739 HydrophobicContact CG2-CB 4.42Å
597S86.1Confident91.6Very high20 Ų2036.6 Ų36.614%0.1421%0.207CC..  trans-65.2138.2170.6172.80000110.2A599 L600 L601 D805S597-A599 PolarHBondContact O-N 2.9Å; S597-A599 PolarHBondContact OG-N 2.92Å; S597-L600 PolarHBondContact O-N 3.39Å; S597-L601 PolarHBondContact O-N 3.47Å; S597-D805 WeakPolarHBondContact CB-OD1 3.23Å; S597-D805 PolarHBondContact OG-OD1 2.95Å
598S86.9Confident91.5Very high84 Ų8439.6 Ų39.659%0.58723%0.227SC*.G310 helixtrans-57.7-29.5173.866.60000112.6L600S598-L600 VanDerWaalsContact C-N 3.27Å; S598-L600 PolarHBondContact O-N 3.36Å
599A89.3Confident91.4Very high15 Ų1544.6 Ų44.612%0.12425%0.251CS..G310 helixtrans-68-25.8177.600000112.9S597 H602 L808S597-A599 PolarHBondContact O-N 2.9Å; S597-A599 PolarHBondContact OG-N 2.92Å; A599-H602 PolarHBondContact O-CE1 3.2Å; A599-H602 PolarHBondContact O-ND1 3Å; A599-L808 HydrophobicContact CB-CB 3.79Å
600L90.1Very high91.3Very high7 Ų746.9 Ų46.94%0.03726%0.262CS..G310 helixtrans-99.8-5.5-176.6-59.1173.7000113.6S597 S598 H602 L603 P739 V744 L808 F813S597-L600 PolarHBondContact O-N 3.39Å; S598-L600 VanDerWaalsContact C-N 3.27Å; S598-L600 PolarHBondContact O-N 3.36Å; L600-H602 PolarHBondContact O-N 3.23Å; L600-L603 HydrophobicContact CD2-CD1 3.79Å; L600-L603 WeakPolarHBondContact O-CB 3.4Å; L600-L603 PolarHBondContact O-N 2.97Å; L600-P739 WeakPolarHBondContact CB-O 3.36Å; L600-V744 HydrophobicContact CD1-CB 4.33Å; L600-V744 HydrophobicContact CD1-CG1 4.06Å; L600-V744 HydrophobicContact CD1-CG2 4.08Å; L600-L808 HydrophobicContact CD1-CD1 4.04Å; L600-L808 HydrophobicContact CD2-CD1 4.09Å; L600-L808 HydrophobicContact CD2-CD2 4.06Å; L600-L808 HydrophobicContact CG-CD1 4.09Å; L600-F813 HydrophobicContact CD2-CD1 4.35Å; L600-F813 HydrophobicContact CD2-CE1 3.93Å
601L89.8Confident91.1Very high23 Ų2346.9 Ų46.912%0.1226%0.262CS..THydrogen-bonded Turntrans-52.3-32.2-177.6-76.6170.9000113.6V596 S597 L603 S604 P608 L611V596-L601 HydrophobicContact CG1-CD2 3.58Å; V596-L601 HydrophobicContact CG1-CG 4.26Å; S597-L601 PolarHBondContact O-N 3.47Å; L601-L603 VanDerWaalsContact C-N 3.31Å; L601-L603 PolarHBondContact O-N 3.38Å; L601-S604 PolarHBondContact O-N 2.82Å; L601-P608 HydrophobicContact CD1-CB 4.47Å; L601-L611 HydrophobicContact CD2-CB 3.56Å; L601-L611 HydrophobicContact CD2-CD1 4.05Å
602H89.1Confident90.8Very high124 Ų12452.6 Ų52.657%0.57429%0.289SS*.THydrogen-bonded Turntrans-74.6-17.2-179.772.4-77.4000114.3A599 L600 F813A599-H602 PolarHBondContact O-CE1 3.2Å; A599-H602 PolarHBondContact O-ND1 3Å; L600-H602 PolarHBondContact O-N 3.23Å; H602-F813 AromaticContact CE1-CZ 3.76Å
603L89.5Confident90.6Very high49 Ų4955 Ų5526%0.25732%0.317SS..THydrogen-bonded Turntrans-86.2-21176.1-60.8-179.4000112.2L600 L601 L817L600-L603 HydrophobicContact CD2-CD1 3.79Å; L600-L603 WeakPolarHBondContact O-CB 3.4Å; L600-L603 PolarHBondContact O-N 2.97Å; L601-L603 VanDerWaalsContact C-N 3.31Å; L601-L603 PolarHBondContact O-N 3.38Å; L603-L817 HydrophobicContact CD1-CB 4.16Å; L603-L817 HydrophobicContact CD1-CD2 4.09Å
604S91.4Very high90.6Very high12 Ų1253.7 Ų53.78%0.08431%0.309CS..SBendtrans-71.5140.4177.9-1690000111.5L601 L606 L611 V737 L738L601-S604 PolarHBondContact O-N 2.82Å; S604-L606 PolarHBondContact O-N 3.27Å; S604-L606 PolarHBondContact OG-N 3.25Å; S604-L611 WeakPolarHBondContact OG-CD1 3.49Å; S604-V737 PolarHBondContact OG-O 3.22Å; S604-L738 VanDerWaalsContact CB-O 3.25Å; S604-L738 WeakPolarHBondContact CB-O 3.43Å; S604-L738 PolarHBondContact OG-O 2.86Å
605P90.8Very high90.6Very high100 Ų10057.5 Ų57.565%0.64933%0.329SS*.SBendtrans-71.8-8.4173.230.6-35.9000113.1V737P605-V737 HydrophobicContact CG-CG1 3.52Å
606L92.3Very high90.9Very high42 Ų4254 Ų5422%0.2231%0.305CS..SBendtrans-95.5157.2-179.4-56.1-178.9000111.9S604 L611 I712 L738S604-L606 PolarHBondContact O-N 3.27Å; S604-L606 PolarHBondContact OG-N 3.25Å; L606-L611 HydrophobicContact CB-CD1 4.02Å; L606-L611 HydrophobicContact CB-CD2 4.05Å; L606-L611 HydrophobicContact CB-CG 4.04Å; L606-L611 HydrophobicContact CD1-CD2 3.99Å; L606-I712 HydrophobicContact CD1-CG2 3.95Å; L606-I712 HydrophobicContact CD2-CG2 3.81Å; L606-L738 HydrophobicContact CD1-CD2 3.7Å
607K92.4Very high91.3Very high132 Ų13253.9 Ų53.957%0.57430%0.304SS*.  trans-66.3137.2-179.3-59.8-176.2-178.2178.30111.1E609 I610K607-E609 VanDerWaalsContact C-N 3.28Å; K607-E609 HydrophobicContact CB-CG 4.43Å; K607-E609 WeakPolarHBondContact CD-OE1 3.23Å; K607-E609 PolarHBondContact O-N 3.08Å; K607-E609 VanDerWaalsContact O-N 3.14Å; K607-I610 HydrophobicContact CB-CD1 4.21Å; K607-I610 HydrophobicContact CB-CG1 4.37Å; K607-I610 WeakPolarHBondContact O-CB 3.15Å; K607-I610 PolarHBondContact O-N 3.46Å
608P91.4Very high91.9Very high64 Ų6453 Ų5342%0.41630%0.297SS..Hα-helixtrans-51.6-39.9-178.6-30.736.4000114.7L601 I610 L611 E612L601-P608 HydrophobicContact CD1-CB 4.47Å; P608-I610 PolarHBondContact O-N 3.02Å; P608-L611 PolarHBondContact O-N 3.4Å; P608-E612 WeakPolarHBondContact O-CB 3.49Å; P608-E612 PolarHBondContact O-N 2.87Å
609E91.3Very high92.4Very high120 Ų12049 Ų4956%0.56127%0.269SS*.Hα-helixtrans-64.6-22.1-179.463.4-90.6-156.600114.5K607 K716K607-E609 VanDerWaalsContact C-N 3.28Å; K607-E609 HydrophobicContact CB-CG 4.43Å; K607-E609 WeakPolarHBondContact CD-OE1 3.23Å; K607-E609 PolarHBondContact O-N 3.08Å; K607-E609 VanDerWaalsContact O-N 3.14Å; E609-K716 PolarHBondContact O-NZ 3.37Å
610I92.8Very high92.7Very high48 Ų4848.5 Ų48.525%0.24626%0.264CS..Hα-helixtrans-76.8-39.6174.1-62.7174.9000109.9K607 P608 P715 K716K607-I610 HydrophobicContact CB-CD1 4.21Å; K607-I610 HydrophobicContact CB-CG1 4.37Å; K607-I610 WeakPolarHBondContact O-CB 3.15Å; K607-I610 PolarHBondContact O-N 3.46Å; P608-I610 PolarHBondContact O-N 3.02Å; I610-P715 HydrophobicContact CG2-CG 4.48Å; I610-K716 WeakPolarHBondContact O-CE 3.31Å; I610-K716 PolarHBondContact O-NZ 3.41Å
611L92.6Very high93Very high0 Ų048.2 Ų48.20%026%0.263CS..Hα-helixtrans-89.2-35.9-169.9-62171.2000113.8V596 L601 S604 L606 P608 G613 T614 L738V596-L611 HydrophobicContact CG1-CB 4.32Å; L601-L611 HydrophobicContact CD2-CB 3.56Å; L601-L611 HydrophobicContact CD2-CD1 4.05Å; S604-L611 WeakPolarHBondContact OG-CD1 3.49Å; L606-L611 HydrophobicContact CB-CD1 4.02Å; L606-L611 HydrophobicContact CB-CD2 4.05Å; L606-L611 HydrophobicContact CB-CG 4.04Å; L606-L611 HydrophobicContact CD1-CD2 3.99Å; P608-L611 PolarHBondContact O-N 3.4Å; L611-G613 PolarHBondContact O-N 3.12Å; L611-T614 WeakPolarHBondContact O-CB 3.43Å; L611-T614 PolarHBondContact O-N 2.63Å; L611-T614 PolarHBondContact O-OG1 2.92Å; L611-L738 HydrophobicContact CD2-CB 4.14Å; L611-L738 HydrophobicContact CD2-CD2 3.9Å
612E89.6Confident93.1Very high128 Ų12847.1 Ų47.160%0.59826%0.257SS*.THydrogen-bonded Turntrans-56.6123-174.3-173177.6-16200110.6P608 K716P608-E612 WeakPolarHBondContact O-CB 3.49Å; P608-E612 PolarHBondContact O-N 2.87Å; E612-K716 VanDerWaalsContact O-CD 3.32Å; E612-K716 WeakPolarHBondContact O-CD 3.39Å; E612-K716 PolarHBondContact O-NZ 3.16Å
613G89.8Confident93.2Very high64 Ų6442.1 Ų42.166%0.6624%0.236SC*.THydrogen-bonded Turntrans86.89.6-175.600000115.5L611 D615L611-G613 PolarHBondContact O-N 3.12Å; G613-D615 PolarHBondContact O-N 3.23Å
614T94.2Very high93.3Very high4 Ų440.1 Ų40.13%0.02523%0.226CC..  trans-71.9120.5174.6-61.40000110.9S595 V596 L611 L616 P715 L738S595-T614 WeakPolarHBondContact CA-O 3.38Å; V596-T614 HydrophobicContact CG2-CG2 4.27Å; V596-T614 PolarHBondContact N-O 3Å; L611-T614 WeakPolarHBondContact O-CB 3.43Å; L611-T614 PolarHBondContact O-N 2.63Å; L611-T614 PolarHBondContact O-OG1 2.92Å; T614-L616 HydrophobicContact CG2-CD2 4.07Å; T614-P715 HydrophobicContact CG2-CB 3.7Å; T614-P715 HydrophobicContact CG2-CG 4.11Å; T614-P715 WeakPolarHBondContact OG1-CG 3.17Å; T614-L738 HydrophobicContact CG2-CD1 4.34Å
615D94.4Very high93.4Very high80 Ų8039.6 Ų39.643%0.42822%0.222SC..EExtended strand (participates in β ladder)trans-145.6104.1171.5176.88.1000108.4V594 G613 R664V594-D615 WeakPolarHBondContact O-CA 3.1Å; G613-D615 PolarHBondContact O-N 3.23Å; D615-R664 PolarHBondContact O-NH2 2.93Å; D615-R664 VanDerWaalsContact O-NH2 3.13Å; D615-R664 IonicContact OD1-CZ 2.8Å; D615-R664 IonicContact OD1-NH1 3.7Å; D615-R664 PolarHBondContact OD1-NH1 3.28Å; D615-R664 IonicContact OD1-NH2 3.68Å; D615-R664 PolarHBondContact OD1-NH2 3.25Å; D615-R664 IonicContact OD2-CZ 2.85Å; D615-R664 IonicContact OD2-NH1 2.77Å; D615-R664 IonicContact OD2-NH2 3.52Å; D615-R664 PolarHBondContact OD2-NH2 3.4Å
616L96.6Very high93.5Very high0 Ų037 Ų370%020%0.203CC..EExtended strand (participates in β ladder)trans-136.3159.8-179.966.988.6000111.1V594 T614 I618 L711 P715 F718 D719 I721V594-L616 HydrophobicContact CB-CD1 3.96Å; V594-L616 HydrophobicContact CB-CG 4.12Å; V594-L616 HydrophobicContact CG2-CD1 4.08Å; V594-L616 PolarHBondContact N-O 3.12Å; V594-L616 PolarHBondContact O-N 3.43Å; T614-L616 HydrophobicContact CG2-CD2 4.07Å; L616-I618 HydrophobicContact CD1-CD1 4.21Å; L616-I618 HydrophobicContact CD1-CG1 3.84Å; L616-L711 HydrophobicContact CD2-CD1 3.76Å; L616-P715 HydrophobicContact CD2-CB 4.14Å; L616-F718 HydrophobicContact CB-CB 4.27Å; L616-F718 HydrophobicContact CD2-CB 4.26Å; L616-D719 CarbonylContact C-O 3.6Å; L616-D719 VanDerWaalsContact CA-O 3.27Å; L616-D719 WeakPolarHBondContact CA-O 3.31Å; L616-I721 HydrophobicContact CD1-CD1 4.49Å
617I97Very high93.4Very high16 Ų1638.3 Ų38.38%0.08221%0.205CC..EExtended strand (participates in β ladder)trans-124.9129.8176.8-60.6-178.8000109.6I591 P593 V619 I660 D719 V720 I721I591-I617 HydrophobicContact CG2-CG2 3.58Å; P593-I617 HydrophobicContact CB-CG1 4.32Å; I617-V619 HydrophobicContact CG2-CG2 4.03Å; I617-I660 HydrophobicContact CD1-CG2 3.68Å; I617-I660 HydrophobicContact CG2-CG2 4.49Å; I617-D719 PolarHBondContact N-O 2.89Å; I617-V720 CarbonylContact O-C 3.45Å; I617-V720 WeakPolarHBondContact O-CA 3.42Å; I617-I721 PolarHBondContact O-N 2.64Å
618I97.7Very high93.3Very high0 Ų034.3 Ų34.30%019%0.188CC..EExtended strand (participates in β ladder)trans-98.7123.9171.2-61.1170000109R592 L616 I721 A735R592-I618 HydrophobicContact CB-CB 4.43Å; R592-I618 PolarHBondContact N-O 2.93Å; R592-I618 PolarHBondContact O-N 2.94Å; L616-I618 HydrophobicContact CD1-CD1 4.21Å; L616-I618 HydrophobicContact CD1-CG1 3.84Å; I618-I721 HydrophobicContact CG1-CB 4.21Å; I618-I721 HydrophobicContact CG1-CD1 4.29Å; I618-A735 HydrophobicContact CD1-CB 3.69Å
619V97.8Very high93.2Very high0 Ų031.3 Ų31.30%017%0.169CC..EExtended strand (participates in β ladder)trans-111.3102.9178.8-178.50000108.2N590 I591 I617 I653 A657 I660 V720 I721 V722 T723N590-V619 CarbonylContact O-C 3.54Å; N590-V619 WeakPolarHBondContact O-CA 3.32Å; I591-V619 HydrophobicContact CD1-CB 4.23Å; I591-V619 HydrophobicContact CD1-CG1 3.77Å; I591-V619 HydrophobicContact CD1-CG2 3.86Å; I617-V619 HydrophobicContact CG2-CG2 4.03Å; V619-I653 HydrophobicContact CG1-CD1 3.46Å; V619-I653 VanDerWaalsContact CG1-CD1 3.46Å; V619-I653 HydrophobicContact CG1-CG1 3.96Å; V619-A657 HydrophobicContact CB-CB 4.12Å; V619-A657 HydrophobicContact CG1-CB 4.03Å; V619-A657 HydrophobicContact CG2-CB 4.18Å; V619-I660 HydrophobicContact CG2-CD1 3.98Å; V619-V720 HydrophobicContact CG2-CG1 3.68Å; V619-I721 PolarHBondContact N-O 2.96Å; V619-V722 HydrophobicContact CB-CB 4.4Å; V619-V722 HydrophobicContact CB-CG2 4.34Å; V619-V722 HydrophobicContact CG1-CG2 4.28Å; V619-V722 WeakPolarHBondContact O-CA 3.37Å; V619-T723 PolarHBondContact O-N 2.78Å; V619-T723 VanDerWaalsContact O-N 3.14Å
620R96.6Very high93.2Very high6 Ų631.3 Ų31.32%0.02317%0.169CC..EExtended strand (participates in β ladder)trans-104.7129.9-174.2167.3-172.6174.6-178.25.3110.3N590 L622 Y627 N725 D729N590-R620 HydrophobicContact CB-CB 4.21Å; N590-R620 PolarHBondContact N-O 2.98Å; N590-R620 PolarHBondContact O-N 3.39Å; R620-L622 PolarHBondContact O-N 3.49Å; R620-Y627 VanDerWaalsContact NH2-CE2 3.31Å; R620-N725 VanDerWaalsContact CZ-OD1 3.25Å; R620-N725 PolarHBondContact NE-O 3.42Å; R620-N725 PolarHBondContact NE-OD1 2.99Å; R620-N725 PolarHBondContact NH2-OD1 3.36Å; R620-D729 VanDerWaalsContact CZ-CB 3.43Å; R620-D729 VanDerWaalsContact CZ-CG 3.4Å; R620-D729 IonicContact CZ-OD1 2.68Å; R620-D729 VanDerWaalsContact CZ-OD1 3.3Å; R620-D729 IonicContact CZ-OD2 3.71Å; R620-D729 IonicContact NH1-OD1 3.31Å; R620-D729 PolarHBondContact NH1-OD1 3.41Å; R620-D729 IonicContact NH1-OD2 2.78Å; R620-D729 IonicContact NH2-OD1 3.29Å; R620-D729 PolarHBondContact NH2-OD1 2.93Å; R620-D729 IonicContact NH2-OD2 2.79Å; R620-D729 PolarHBondContact NH2-OD2 3.29Å; R620-D729 VanDerWaalsContact NH2-OD2 3.1Å
621E96.1Very high93.3Very high0 Ų032.6 Ų32.60%018%0.181CC..EExtended strand (participates in β ladder)trans-67.1126.8166.5-157.4-68.714100109.4F588 S623 S624 Y645 R652 I653 W683 T723 N725F588-E621 CarbonylContact O-C 3.56Å; F588-E621 WeakPolarHBondContact O-CA 3.2Å; E621-S623 PolarHBondContact OE1-N 2.79Å; E621-S623 VanDerWaalsContact OE1-N 3.11Å; E621-S623 PolarHBondContact OE1-OG 2.9Å; E621-S623 PolarHBondContact OE2-N 3.13Å; E621-S624 PolarHBondContact OE1-N 2.88Å; E621-S624 VanDerWaalsContact OE2-CA 3.32Å; E621-S624 WeakPolarHBondContact OE2-CA 3.39Å; E621-S624 VanDerWaalsContact OE2-CB 3.3Å; E621-S624 WeakPolarHBondContact OE2-CB 3.4Å; E621-S624 PolarHBondContact OE2-N 2.87Å; E621-Y645 HydrophobicContact CB-CE1 4.41Å; E621-Y645 HydrophobicContact CG-CE1 4.01Å; E621-Y645 WeakPolarHBondContact OE2-CE1 3.32Å; E621-R652 IonicContact OE1-CZ 2.81Å; E621-R652 IonicContact OE1-NH2 3.7Å; E621-R652 PolarHBondContact OE1-NH2 2.8Å; E621-I653 HydrophobicContact CB-CB 4.46Å; E621-I653 HydrophobicContact CB-CG1 4.16Å; E621-I653 HydrophobicContact CB-CG2 4.22Å; E621-I653 HydrophobicContact CG-CB 4.3Å; E621-I653 HydrophobicContact CG-CG2 4.03Å; E621-W683 HydrophobicContact CB-CH2 3.92Å; E621-W683 HydrophobicContact CB-CZ2 3.87Å; E621-W683 HydrophobicContact CG-CH2 4.47Å; E621-W683 HydrophobicContact CG-CZ2 4.24Å; E621-T723 PolarHBondContact N-O 3.12Å; E621-T723 VanDerWaalsContact N-O 3.14Å; E621-N725 WeakPolarHBondContact O-CA 3.41Å; E621-N725 WeakPolarHBondContact O-CB 3.24Å; E621-N725 PolarHBondContact O-OD1 3.02Å
622L92.8Very high93.3Very high1 Ų136.6 Ų36.61%0.00520%0.196CC..  trans-112.6-15.2-165.4-166.167.7000114.6R582 L587 F588 N590 R620 F628 N725 S749R582-L622 HydrophobicContact CG-CD2 3.98Å; L587-L622 HydrophobicContact CB-CD2 4.23Å; F588-L622 PolarHBondContact O-N 3.36Å; N590-L622 HydrophobicContact CB-CB 4.25Å; N590-L622 HydrophobicContact CB-CD1 3.92Å; N590-L622 HydrophobicContact CB-CD2 4.05Å; N590-L622 HydrophobicContact CB-CG 4.28Å; R620-L622 PolarHBondContact O-N 3.49Å; L622-F628 WeakPolarHBondContact O-CE2 3.27Å; L622-F628 WeakPolarHBondContact O-CZ 3.48Å; L622-N725 PolarHBondContact O-ND2 3.47Å; L622-S749 WeakPolarHBondContact CD2-OG 3.39Å
623S89.6Confident93.4Very high18 Ų1835.2 Ų35.213%0.12619%0.189CC..SBendtrans-118.68.2-170.457.10000114.7F588 E621 F628 R652F588-S623 WeakPolarHBondContact CB-OG 3.34Å; E621-S623 PolarHBondContact OE1-N 2.79Å; E621-S623 VanDerWaalsContact OE1-N 3.11Å; E621-S623 PolarHBondContact OE1-OG 2.9Å; E621-S623 PolarHBondContact OE2-N 3.13Å; S623-F628 VanDerWaalsContact C-CD2 3.42Å; S623-F628 WeakPolarHBondContact O-CG 3.23Å; S623-R652 PolarHBondContact OG-NH2 3.42Å
624S91.6Very high93.5Very high7 Ų739.3 Ų39.35%0.04920%0.195CC..SBendtrans-140.2-172.8180-62.70000111.2E621 Y645 E649 N725E621-S624 PolarHBondContact OE1-N 2.88Å; E621-S624 VanDerWaalsContact OE2-CA 3.32Å; E621-S624 WeakPolarHBondContact OE2-CA 3.39Å; E621-S624 VanDerWaalsContact OE2-CB 3.3Å; E621-S624 WeakPolarHBondContact OE2-CB 3.4Å; E621-S624 PolarHBondContact OE2-N 2.87Å; S624-Y645 VanDerWaalsContact CB-CE1 3.48Å; S624-Y645 PolarHBondContact O-OH 3.4Å; S624-E649 PolarHBondContact OG-OE2 3.43Å; S624-N725 WeakPolarHBondContact O-CB 3Å; S624-N725 PolarHBondContact O-ND2 3.41Å
625G93.5Very high93.3Very high1 Ų141.4 Ų41.41%0.0121%0.208CC..SBendtrans79.4-157.3-17700000114.1Y627 F628 G629 R644 Y645G625-Y627 PolarHBondContact O-N 2.98Å; G625-F628 PolarHBondContact O-N 3.34Å; G625-F628 VanDerWaalsContact O-N 3.08Å; G625-G629 PolarHBondContact O-N 2.86Å; G625-R644 PolarHBondContact N-O 3.23Å; G625-R644 VanDerWaalsContact N-O 3.17Å; G625-Y645 VanDerWaalsContact CA-OH 3.28Å; G625-Y645 WeakPolarHBondContact CA-OH 3.38Å; G625-Y645 VanDerWaalsContact N-CZ 3.34Å; G625-Y645 PolarHBondContact N-OH 2.92Å
626I94.2Very high93Very high47 Ų4745.9 Ų45.924%0.24123%0.232CC..THydrogen-bonded Turntrans-60.2-30.4-169.7-157.7168.9000113.2F628 R632 D641 A643 L726I626-F628 VanDerWaalsContact C-N 3.3Å; I626-F628 PolarHBondContact O-N 2.87Å; I626-R632 PolarHBondContact O-NH2 2.7Å; I626-D641 HydrophobicContact CD1-CB 4.08Å; I626-D641 HydrophobicContact CG1-CB 3.72Å; I626-A643 HydrophobicContact CB-CB 4.37Å; I626-L726 HydrophobicContact CD1-CD2 4.41Å; I626-L726 HydrophobicContact CG2-CB 3.82Å; I626-L726 HydrophobicContact CG2-CD1 4.42Å; I626-L726 HydrophobicContact CG2-CD2 4.15Å; I626-L726 HydrophobicContact CG2-CG 4.34Å
627Y88.8Confident92.8Very high69 Ų6952.3 Ų52.327%0.27127%0.271SS..THydrogen-bonded Turntrans-72.8-19.5179.6-63.3-37.2000114.1R620 G625 R632 N725 L726 D729R620-Y627 VanDerWaalsContact NH2-CE2 3.31Å; G625-Y627 PolarHBondContact O-N 2.98Å; Y627-R632 PolarHBondContact O-NH1 2.65Å; Y627-N725 HydrophobicContact CD2-CB 4.36Å; Y627-N725 VanDerWaalsContact CD2-OD1 3.3Å; Y627-N725 WeakPolarHBondContact CD2-OD1 3.34Å; Y627-L726 HydrophobicContact CE1-CD1 4.28Å; Y627-L726 WeakPolarHBondContact OH-CD1 3.4Å; Y627-D729 HydrophobicContact CE2-CB 4.48Å; Y627-D729 WeakPolarHBondContact CE2-OD2 3.24Å; Y627-D729 PolarHBondContact OH-OD2 3.1Å
628F90.4Very high92.6Very high47 Ų4756.9 Ų56.921%0.20629%0.294CS..THydrogen-bonded Turntrans-122.4-6.6-176.9-63.3-90.3000113.7L579 K583 L622 S623 G625 I626L579-F628 HydrophobicContact CB-CE1 4.48Å; L579-F628 HydrophobicContact CD2-CE1 4.33Å; L579-F628 HydrophobicContact CD2-CE2 4.08Å; L579-F628 HydrophobicContact CD2-CZ 3.61Å; K583-F628 HydrophobicContact CB-CE1 4.28Å; L622-F628 WeakPolarHBondContact O-CE2 3.27Å; L622-F628 WeakPolarHBondContact O-CZ 3.48Å; S623-F628 VanDerWaalsContact C-CD2 3.42Å; S623-F628 WeakPolarHBondContact O-CG 3.23Å; G625-F628 PolarHBondContact O-N 3.34Å; G625-F628 VanDerWaalsContact O-N 3.08Å; I626-F628 VanDerWaalsContact C-N 3.3Å; I626-F628 PolarHBondContact O-N 2.87Å
629G90.5Very high92.4Very high2 Ų259.8 Ų59.82%0.02132%0.318CS..  trans-77.2137.6-172.600000113.2G625 T642G625-G629 PolarHBondContact O-N 2.86Å; G629-T642 VanDerWaalsContact CA-O 3.27Å; G629-T642 WeakPolarHBondContact CA-O 3.46Å
630E91.1Very high92.2Very high120 Ų12063.9 Ų63.956%0.56133%0.334SS*.SBendtrans-116.7149.1174-67.1-62.5157.700109.2R632E630-R632 WeakPolarHBondContact OE1-CD 3.46Å; E630-R632 PolarHBondContact OE2-N 3.44Å; E630-R632 VanDerWaalsContact OE2-N 3.13Å
631P94.9Very high92.1Very high75 Ų7567.9 Ų67.949%0.48736%0.356SS..  cis-75153.91.231.8-34.7000112.5Y640 T642P631-Y640 HydrophobicContact CB-CE2 3.74Å; P631-Y640 HydrophobicContact CG-CE2 3.76Å; P631-Y640 WeakPolarHBondContact O-CE2 3.11Å; P631-T642 VanDerWaalsContact O-CB 3.31Å; P631-T642 WeakPolarHBondContact O-CB 3.48Å; P631-T642 PolarHBondContact O-OG1 3.08Å
632R93.3Very high92.1Very high84 Ų8469.8 Ų69.832%0.31737%0.367SS..  trans-139.9145.2166.875.1-159.1-43.916113.4110.8I626 Y627 E630 Y640 D641I626-R632 PolarHBondContact O-NH2 2.7Å; Y627-R632 PolarHBondContact O-NH1 2.65Å; E630-R632 WeakPolarHBondContact OE1-CD 3.46Å; E630-R632 PolarHBondContact OE2-N 3.44Å; E630-R632 VanDerWaalsContact OE2-N 3.13Å; R632-Y640 VanDerWaalsContact CA-O 3.24Å; R632-Y640 WeakPolarHBondContact CA-O 3.17Å; R632-D641 IonicContact CZ-OD1 3.85Å; R632-D641 IonicContact NE-OD1 2.82Å; R632-D641 PolarHBondContact NE-OD1 3.42Å; R632-D641 VanDerWaalsContact NE-OD1 3.09Å; R632-D641 IonicContact NH2-OD1 3.55Å; R632-D641 PolarHBondContact NH2-OD1 2.9Å
633E91.7Very high92.2Very high99 Ų9972 Ų7246%0.46339%0.386SS..EExtended strand (participates in β ladder)trans-155.2143.8-172.9-162.9174.4174.500111.1T635 A639 Y640E633-T635 HydrophobicContact CG-CG2 4.09Å; E633-A639 CarbonylContact O-C 3.53Å; E633-A639 WeakPolarHBondContact O-CA 3.45Å; E633-Y640 HydrophobicContact CB-CD1 4.04Å; E633-Y640 HydrophobicContact CB-CE1 3.37Å; E633-Y640 HydrophobicContact CB-CE2 4.35Å; E633-Y640 HydrophobicContact CG-CE1 4.32Å; E633-Y640 PolarHBondContact N-O 3.25Å; E633-Y640 PolarHBondContact O-N 3.15Å; E633-Y640 VanDerWaalsContact OE2-CE1 3.27Å; E633-Y640 WeakPolarHBondContact OE2-CE1 3.48Å; E633-Y640 PolarHBondContact OE2-OH 2.83Å
634L90.9Very high92.4Very high149 Ų14976.2 Ų76.278%0.7840%0.399SS*.EExtended strand (participates in β ladder)trans-126.2125.8169.2173.362.9000108.1A639L634-A639 HydrophobicContact CD1-CB 3.76Å
635T90.7Very high92.6Very high49 Ų4976.7 Ų76.730%0.30140%0.4SS..  trans-126.9173.5175720000109.6E633 T637 M638E633-T635 HydrophobicContact CG-CG2 4.09Å; T635-T637 PolarHBondContact O-N 3.46Å; T635-T637 PolarHBondContact OG1-N 3.14Å; T635-M638 PolarHBondContact N-O 3.08Å; T635-M638 PolarHBondContact OG1-N 3.02Å; T635-M638 PolarHBondContact OG1-O 3.18Å
636D88.5Confident92.7Very high173 Ų17381 Ų8193%0.92542%0.42SS*.SBendtrans-60-20.1179.2-61.4-19.1000114.3
637T92.4Very high92.9Very high136 Ų13681.9 Ų81.983%0.83442%0.422SS*.SBendtrans-130-3.1-174.758.80000114.8T635T635-T637 PolarHBondContact O-N 3.46Å; T635-T637 PolarHBondContact OG1-N 3.14Å
638M92.3Very high93.2Very high111 Ų11184.3 Ų84.355%0.54744%0.435SS..  trans-158.4145.7-174.4176.6178.152.900111.3T635T635-M638 PolarHBondContact N-O 3.08Å; T635-M638 PolarHBondContact OG1-N 3.02Å; T635-M638 PolarHBondContact OG1-O 3.18Å
639A92.5Very high93.4Very high62 Ų6283.1 Ų83.151%0.51243%0.431SS..EExtended strand (participates in β ladder)trans-137.8152.516700000111E633 L634E633-A639 CarbonylContact O-C 3.53Å; E633-A639 WeakPolarHBondContact O-CA 3.45Å; L634-A639 HydrophobicContact CD1-CB 3.76Å
640Y93.3Very high93.8Very high85 Ų8583 Ų8333%0.33343%0.43SS..EExtended strand (participates in β ladder)trans-148146.1168.464.8-91.1000111.8P631 R632 E633P631-Y640 HydrophobicContact CB-CE2 3.74Å; P631-Y640 HydrophobicContact CG-CE2 3.76Å; P631-Y640 WeakPolarHBondContact O-CE2 3.11Å; R632-Y640 VanDerWaalsContact CA-O 3.24Å; R632-Y640 WeakPolarHBondContact CA-O 3.17Å; E633-Y640 HydrophobicContact CB-CD1 4.04Å; E633-Y640 HydrophobicContact CB-CE1 3.37Å; E633-Y640 HydrophobicContact CB-CE2 4.35Å; E633-Y640 HydrophobicContact CG-CE1 4.32Å; E633-Y640 PolarHBondContact N-O 3.25Å; E633-Y640 PolarHBondContact O-N 3.15Å; E633-Y640 VanDerWaalsContact OE2-CE1 3.27Å; E633-Y640 WeakPolarHBondContact OE2-CE1 3.48Å; E633-Y640 PolarHBondContact OE2-OH 2.83Å
641D94.5Very high94.1Very high90 Ų9079.8 Ų79.848%0.48142%0.415SS..  trans-125.8133.6173.4-71.3-76.1000109.4I626 R632I626-D641 HydrophobicContact CD1-CB 4.08Å; I626-D641 HydrophobicContact CG1-CB 3.72Å; R632-D641 IonicContact CZ-OD1 3.85Å; R632-D641 IonicContact NE-OD1 2.82Å; R632-D641 PolarHBondContact NE-OD1 3.42Å; R632-D641 VanDerWaalsContact NE-OD1 3.09Å; R632-D641 IonicContact NH2-OD1 3.55Å; R632-D641 PolarHBondContact NH2-OD1 2.9Å
642T95.9Very high94.1Very high40 Ų4078.7 Ų78.725%0.24540%0.401CS..  trans-94.1123.1-176.6-660000111.2G629 P631 R644G629-T642 VanDerWaalsContact CA-O 3.27Å; G629-T642 WeakPolarHBondContact CA-O 3.46Å; P631-T642 VanDerWaalsContact O-CB 3.31Å; P631-T642 WeakPolarHBondContact O-CB 3.48Å; P631-T642 PolarHBondContact O-OG1 3.08Å; T642-R644 HydrophobicContact CG2-CB 4.22Å; T642-R644 PolarHBondContact O-N 3.2Å
643A95.4Very high94.3Very high47 Ų4774.7 Ų74.739%0.38839%0.386SS..  trans-89.5101.6167.700000110.5I626I626-A643 HydrophobicContact CB-CB 4.37Å
644R94.9Very high94.6Very high107 Ų10770 Ų7040%0.40436%0.364SS..  trans-119.7135.2-179.7-171.7-16271.490.716.5111.1G625 T642 Q646 E649G625-R644 PolarHBondContact N-O 3.23Å; G625-R644 VanDerWaalsContact N-O 3.17Å; T642-R644 HydrophobicContact CG2-CB 4.22Å; T642-R644 PolarHBondContact O-N 3.2Å; R644-Q646 VanDerWaalsContact NH1-CD 3.28Å; R644-Q646 VanDerWaalsContact NH1-CG 3.25Å; R644-E649 IonicContact CZ-OE1 3.82Å; R644-E649 IonicContact NH2-OE1 2.81Å; R644-E649 PolarHBondContact NH2-OE1 3.46Å; R644-E649 IonicContact NH2-OE2 3.61Å
645Y96.2Very high94.9Very high18 Ų1865 Ų657%0.07134%0.336CS..  trans-135.4141.2170.4-77.3-79.9000110.7E621 S624 G625 E649 I650 W683 E724 N725E621-Y645 HydrophobicContact CB-CE1 4.41Å; E621-Y645 HydrophobicContact CG-CE1 4.01Å; E621-Y645 WeakPolarHBondContact OE2-CE1 3.32Å; S624-Y645 VanDerWaalsContact CB-CE1 3.48Å; S624-Y645 PolarHBondContact O-OH 3.4Å; G625-Y645 VanDerWaalsContact CA-OH 3.28Å; G625-Y645 WeakPolarHBondContact CA-OH 3.38Å; G625-Y645 VanDerWaalsContact N-CZ 3.34Å; G625-Y645 PolarHBondContact N-OH 2.92Å; Y645-E649 WeakPolarHBondContact CA-OE2 3.48Å; Y645-I650 HydrophobicContact CD1-CG1 4.21Å; Y645-I650 HydrophobicContact CG-CD1 4.48Å; Y645-I650 HydrophobicContact CG-CG1 4.4Å; Y645-W683 HydrophobicContact CD1-CZ2 4.32Å; Y645-W683 AromaticContact CD1-NE1 3.69Å; Y645-W683 AromaticContact CD2-NE1 3.44Å; Y645-W683 AromaticContact CE1-CZ2 3.95Å; Y645-W683 HydrophobicContact CE1-CZ2 3.95Å; Y645-W683 AromaticContact CE1-NE1 3.87Å; Y645-W683 AromaticContact CE2-NE1 3.62Å; Y645-W683 AromaticContact CG-NE1 3.49Å; Y645-W683 AromaticContact CZ-NE1 3.85Å; Y645-E724 HydrophobicContact CE2-CB 3.8Å; Y645-E724 WeakPolarHBondContact CE2-OE2 3.31Å; Y645-E724 WeakPolarHBondContact OH-CB 3.48Å; Y645-N725 WeakPolarHBondContact OH-CB 3.28Å; Y645-N725 PolarHBondContact OH-N 3.28Å
646Q95.4Very high95.1Very high91 Ų9164 Ų6443%0.42533%0.331SS..  trans-93.9157.6163.5-68.6174.797.200110R644 E648 E649 I650R644-Q646 VanDerWaalsContact NH1-CD 3.28Å; R644-Q646 VanDerWaalsContact NH1-CG 3.25Å; Q646-E648 VanDerWaalsContact C-N 3.3Å; Q646-E648 PolarHBondContact O-N 3.22Å; Q646-E649 HydrophobicContact CB-CG 4.07Å; Q646-E649 PolarHBondContact N-OE2 3.15Å; Q646-E649 PolarHBondContact NE2-OE1 2.98Å; Q646-E649 PolarHBondContact O-N 3.12Å; Q646-I650 WeakPolarHBondContact O-CG1 3.46Å; Q646-I650 PolarHBondContact O-N 3.15Å
647K96.9Very high95.6Very high66 Ų6655.7 Ų55.729%0.28729%0.287SS..Hα-helixtrans-62.8-42.6-177.2-165.9-171.3-177.4-140.20111E649 I650 E651 T686 E689K647-E649 VanDerWaalsContact C-N 3.29Å; K647-E649 PolarHBondContact O-N 3.35Å; K647-I650 WeakPolarHBondContact O-CA 3.44Å; K647-I650 WeakPolarHBondContact O-CB 3.33Å; K647-I650 PolarHBondContact O-N 2.89Å; K647-E651 WeakPolarHBondContact CD-OE1 3.38Å; K647-E651 WeakPolarHBondContact CE-OE1 3.47Å; K647-E651 HydrophobicContact CG-CG 4.35Å; K647-E651 IonicContact NZ-OE1 2.67Å; K647-E651 PolarHBondContact NZ-OE1 2.78Å; K647-E651 WeakPolarHBondContact O-CG 3.25Å; K647-E651 PolarHBondContact O-N 3.2Å; K647-T686 HydrophobicContact CG-CG2 4.08Å; K647-E689 WeakPolarHBondContact CE-OE2 3.38Å; K647-E689 IonicContact NZ-OE2 2.9Å; K647-E689 PolarHBondContact NZ-OE2 2.85Å
648E95.7Very high95.9Very high119 Ų11949.2 Ų49.256%0.55625%0.247SC*.Hα-helixtrans-63.7-35.6-178.5-58.575-16600111.5Q646 I650 E651 R652Q646-E648 VanDerWaalsContact C-N 3.3Å; Q646-E648 PolarHBondContact O-N 3.22Å; E648-I650 PolarHBondContact O-N 3.31Å; E648-E651 PolarHBondContact O-N 3.43Å; E648-R652 WeakPolarHBondContact O-CG 3.18Å; E648-R652 PolarHBondContact O-N 2.78Å
649E94.9Very high96Very high23 Ų2350.4 Ų50.411%0.10725%0.249CC..Hα-helixtrans-64-31.8175.4-67163-176.900111.6S624 R644 Y645 Q646 K647 R652S624-E649 PolarHBondContact OG-OE2 3.43Å; R644-E649 IonicContact CZ-OE1 3.82Å; R644-E649 IonicContact NH2-OE1 2.81Å; R644-E649 PolarHBondContact NH2-OE1 3.46Å; R644-E649 IonicContact NH2-OE2 3.61Å; Y645-E649 WeakPolarHBondContact CA-OE2 3.48Å; Q646-E649 HydrophobicContact CB-CG 4.07Å; Q646-E649 PolarHBondContact N-OE2 3.15Å; Q646-E649 PolarHBondContact NE2-OE1 2.98Å; Q646-E649 PolarHBondContact O-N 3.12Å; K647-E649 VanDerWaalsContact C-N 3.29Å; K647-E649 PolarHBondContact O-N 3.35Å; E649-R652 WeakPolarHBondContact O-CG 3.25Å; E649-R652 PolarHBondContact O-NE 3.33Å
650I97.7Very high96.2Very high0 Ų049.6 Ų49.60%024%0.236CC..Hα-helixtrans-82.9-41.6177.8-60165.4000110.9Y645 Q646 K647 E648 R652 I653 L654 L682 W683 T686Y645-I650 HydrophobicContact CD1-CG1 4.21Å; Y645-I650 HydrophobicContact CG-CD1 4.48Å; Y645-I650 HydrophobicContact CG-CG1 4.4Å; Q646-I650 WeakPolarHBondContact O-CG1 3.46Å; Q646-I650 PolarHBondContact O-N 3.15Å; K647-I650 WeakPolarHBondContact O-CA 3.44Å; K647-I650 WeakPolarHBondContact O-CB 3.33Å; K647-I650 PolarHBondContact O-N 2.89Å; E648-I650 PolarHBondContact O-N 3.31Å; I650-R652 PolarHBondContact O-N 3.17Å; I650-I653 WeakPolarHBondContact O-CG2 3.48Å; I650-I653 PolarHBondContact O-N 3.43Å; I650-L654 HydrophobicContact CG2-CD1 3.6Å; I650-L654 HydrophobicContact CG2-CG 4.18Å; I650-L654 WeakPolarHBondContact O-CB 3.48Å; I650-L654 WeakPolarHBondContact O-CD1 3.44Å; I650-L654 VanDerWaalsContact O-CG 3.27Å; I650-L654 WeakPolarHBondContact O-CG 3.35Å; I650-L654 PolarHBondContact O-N 2.98Å; I650-L654 VanDerWaalsContact O-N 3.07Å; I650-L682 HydrophobicContact CD1-CB 4.44Å; I650-L682 HydrophobicContact CD1-CD2 3.87Å; I650-L682 HydrophobicContact CD1-CG 3.79Å; I650-W683 HydrophobicContact CB-CD2 4.44Å; I650-W683 HydrophobicContact CD1-CD2 4.22Å; I650-W683 HydrophobicContact CD1-CG 3.89Å; I650-W683 HydrophobicContact CG1-CD2 3.95Å; I650-W683 HydrophobicContact CG1-CG 4.16Å; I650-W683 HydrophobicContact CG1-CZ2 4.13Å; I650-W683 HydrophobicContact CG2-CD2 3.71Å; I650-W683 HydrophobicContact CG2-CE3 3.59Å; I650-W683 HydrophobicContact CG2-CG 4.21Å; I650-W683 HydrophobicContact CG2-CH2 4.45Å; I650-W683 HydrophobicContact CG2-CZ3 3.99Å; I650-T686 HydrophobicContact CB-CG2 4.12Å; I650-T686 HydrophobicContact CG2-CG2 3.74Å
651E97.6Very high96.4Very high52 Ų5245.6 Ų45.624%0.24322%0.22CC..Hα-helixtrans-58.6-46.5179.9-73.4174.5166.900111.4K647 E648 I653 L654 H655 T686 V690K647-E651 WeakPolarHBondContact CD-OE1 3.38Å; K647-E651 WeakPolarHBondContact CE-OE1 3.47Å; K647-E651 HydrophobicContact CG-CG 4.35Å; K647-E651 IonicContact NZ-OE1 2.67Å; K647-E651 PolarHBondContact NZ-OE1 2.78Å; K647-E651 WeakPolarHBondContact O-CG 3.25Å; K647-E651 PolarHBondContact O-N 3.2Å; E648-E651 PolarHBondContact O-N 3.43Å; E651-I653 PolarHBondContact O-N 2.9Å; E651-L654 PolarHBondContact O-N 3.23Å; E651-H655 PolarHBondContact O-CD2 2.88Å; E651-H655 PolarHBondContact O-N 3.1Å; E651-T686 HydrophobicContact CB-CG2 4.43Å; E651-T686 HydrophobicContact CG-CG2 3.4Å; E651-V690 HydrophobicContact CB-CG2 4.34Å; E651-V690 HydrophobicContact CG-CG2 3.99Å
652R95.3Very high96.5Very high52 Ų5244.8 Ų44.820%0.19621%0.214CC..Hα-helixtrans-59.8-41.1-179.464.3-178.3-177.81711.7113.9N586 F588 E621 S623 E648 E649 I650 S656N586-R652 PolarHBondContact OD1-NH1 2.68Å; F588-R652 HydrophobicContact CD2-CB 4.34Å; F588-R652 HydrophobicContact CD2-CG 3.69Å; F588-R652 HydrophobicContact CE2-CB 3.93Å; F588-R652 HydrophobicContact CE2-CG 3.8Å; F588-R652 HydrophobicContact CG-CG 4.4Å; F588-R652 HydrophobicContact CZ-CB 4.4Å; E621-R652 IonicContact OE1-CZ 2.81Å; E621-R652 IonicContact OE1-NH2 3.7Å; E621-R652 PolarHBondContact OE1-NH2 2.8Å; S623-R652 PolarHBondContact OG-NH2 3.42Å; E648-R652 WeakPolarHBondContact O-CG 3.18Å; E648-R652 PolarHBondContact O-N 2.78Å; E649-R652 WeakPolarHBondContact O-CG 3.25Å; E649-R652 PolarHBondContact O-NE 3.33Å; I650-R652 PolarHBondContact O-N 3.17Å; R652-S656 PolarHBondContact O-N 3Å; R652-S656 PolarHBondContact O-OG 2.63Å
653I97Very high96.4Very high0 Ų046.3 Ų46.30%024%0.237CC..Hα-helixtrans-76.4-36.3-178.4-173.866.3000110.9F588 A589 V619 E621 I650 E651 S656 A657 W683 V722F588-I653 HydrophobicContact CD2-CB 4.45Å; F588-I653 HydrophobicContact CD2-CD1 4.37Å; F588-I653 HydrophobicContact CE2-CD1 4.48Å; A589-I653 HydrophobicContact CB-CD1 3.41Å; A589-I653 VanDerWaalsContact CB-CD1 3.41Å; V619-I653 HydrophobicContact CG1-CD1 3.46Å; V619-I653 VanDerWaalsContact CG1-CD1 3.46Å; V619-I653 HydrophobicContact CG1-CG1 3.96Å; E621-I653 HydrophobicContact CB-CB 4.46Å; E621-I653 HydrophobicContact CB-CG1 4.16Å; E621-I653 HydrophobicContact CB-CG2 4.22Å; E621-I653 HydrophobicContact CG-CB 4.3Å; E621-I653 HydrophobicContact CG-CG2 4.03Å; I650-I653 WeakPolarHBondContact O-CG2 3.48Å; I650-I653 PolarHBondContact O-N 3.43Å; E651-I653 PolarHBondContact O-N 2.9Å; I653-S656 WeakPolarHBondContact O-CB 3.4Å; I653-S656 PolarHBondContact O-N 3.04Å; I653-A657 PolarHBondContact O-N 3.46Å; I653-W683 HydrophobicContact CG2-CH2 3.46Å; I653-W683 VanDerWaalsContact CG2-CH2 3.46Å; I653-W683 HydrophobicContact CG2-CZ2 4.3Å; I653-W683 HydrophobicContact CG2-CZ3 3.96Å; I653-V722 HydrophobicContact CG1-CG2 4.24Å
654L98.2Very high96.3Very high0 Ų047.4 Ų47.40%023%0.231CC..Hα-helixtrans-61.5-46.7172-72.5166000111.5I650 E651 S656 A657 F658 T686 A687 V690 V722I650-L654 HydrophobicContact CG2-CD1 3.6Å; I650-L654 HydrophobicContact CG2-CG 4.18Å; I650-L654 WeakPolarHBondContact O-CB 3.48Å; I650-L654 WeakPolarHBondContact O-CD1 3.44Å; I650-L654 VanDerWaalsContact O-CG 3.27Å; I650-L654 WeakPolarHBondContact O-CG 3.35Å; I650-L654 PolarHBondContact O-N 2.98Å; I650-L654 VanDerWaalsContact O-N 3.07Å; E651-L654 PolarHBondContact O-N 3.23Å; L654-S656 PolarHBondContact O-N 3.33Å; L654-A657 PolarHBondContact O-N 2.98Å; L654-A657 VanDerWaalsContact O-N 3.14Å; L654-F658 HydrophobicContact CB-CD2 4.45Å; L654-F658 WeakPolarHBondContact O-CD2 3.17Å; L654-F658 PolarHBondContact O-N 3.05Å; L654-T686 HydrophobicContact CD1-CG2 3.81Å; L654-A687 HydrophobicContact CD1-CB 4.03Å; L654-A687 HydrophobicContact CD2-CB 3.81Å; L654-V690 HydrophobicContact CB-CB 4.3Å; L654-V690 HydrophobicContact CB-CG1 3.97Å; L654-V690 HydrophobicContact CB-CG2 4.34Å; L654-V690 HydrophobicContact CD1-CB 4.25Å; L654-V690 HydrophobicContact CD1-CG2 4Å; L654-V722 HydrophobicContact CD2-CG1 3.85Å; L654-V722 HydrophobicContact CD2-CG2 4.22Å
655H97.5Very high96.3Very high43 Ų4348.9 Ų48.920%0.19925%0.247CC..Hα-helixtrans-56.6-38.6174.6-74.8-49.8000112.5E651 K659 E693 Y694E651-H655 PolarHBondContact O-CD2 2.88Å; E651-H655 PolarHBondContact O-N 3.1Å; H655-K659 WeakPolarHBondContact O-CB 3.38Å; H655-K659 VanDerWaalsContact O-CG 3.26Å; H655-K659 WeakPolarHBondContact O-CG 3.33Å; H655-K659 PolarHBondContact O-N 3.17Å; H655-E693 IonicContact CE1-OE2 3.79Å; H655-E693 PolarHBondContact CE1-OE2 3.5Å; H655-E693 VanDerWaalsContact CE1-OE2 3.28Å; H655-Y694 AromaticContact CE1-CE2 3.85Å; H655-Y694 AromaticContact ND1-CE2 3.23Å; H655-Y694 WeakPolarHBondContact ND1-CE2 3.49Å; H655-Y694 AromaticContact ND1-CZ 3.48Å; H655-Y694 PolarHBondContact ND1-OH 3.38Å
656S95.6Very high96.4Very high28 Ų2852.2 Ų52.220%0.19626%0.262CS..Hα-helixtrans-64-47176.1-56.80000111.2R652 I653 L654 K659 I660R652-S656 PolarHBondContact O-N 3Å; R652-S656 PolarHBondContact O-OG 2.63Å; I653-S656 WeakPolarHBondContact O-CB 3.4Å; I653-S656 PolarHBondContact O-N 3.04Å; L654-S656 PolarHBondContact O-N 3.33Å; S656-K659 PolarHBondContact O-N 2.89Å; S656-I660 WeakPolarHBondContact O-CG1 3.4Å; S656-I660 PolarHBondContact O-N 3.4Å; S656-I660 VanDerWaalsContact O-N 3.09Å
657A97.9Very high96.6Very high0 Ų049.6 Ų49.60%025%0.249CC..Hα-helixtrans-61.3-44.6176.400000112.9V619 I653 L654 I660 A661 V668 V720 V722V619-A657 HydrophobicContact CB-CB 4.12Å; V619-A657 HydrophobicContact CG1-CB 4.03Å; V619-A657 HydrophobicContact CG2-CB 4.18Å; I653-A657 PolarHBondContact O-N 3.46Å; L654-A657 PolarHBondContact O-N 2.98Å; L654-A657 VanDerWaalsContact O-N 3.14Å; A657-I660 PolarHBondContact O-N 3.35Å; A657-A661 WeakPolarHBondContact O-CB 3.19Å; A657-A661 PolarHBondContact O-N 3.03Å; A657-V668 HydrophobicContact CB-CG1 4.43Å; A657-V720 HydrophobicContact CB-CG1 3.96Å; A657-V722 HydrophobicContact CB-CB 3.66Å; A657-V722 HydrophobicContact CB-CG1 4.23Å; A657-V722 HydrophobicContact CB-CG2 3.75Å
658F98.4Very high96.6Very high0 Ų046.5 Ų46.50%024%0.235CC..Hα-helixtrans-64.5-42.2178.2-82.8-71.9000112.4L654 I660 A661 Q662 V668 V690 A691 Y694 C697 L699L654-F658 HydrophobicContact CB-CD2 4.45Å; L654-F658 WeakPolarHBondContact O-CD2 3.17Å; L654-F658 PolarHBondContact O-N 3.05Å; F658-I660 VanDerWaalsContact C-N 3.32Å; F658-I660 PolarHBondContact O-N 3Å; F658-A661 PolarHBondContact O-N 2.71Å; F658-Q662 WeakPolarHBondContact O-CG 3.39Å; F658-Q662 PolarHBondContact O-N 3.15Å; F658-V668 HydrophobicContact CD1-CB 4.37Å; F658-V668 HydrophobicContact CD1-CG2 3.66Å; F658-V668 HydrophobicContact CE1-CB 4.03Å; F658-V668 HydrophobicContact CE1-CG2 3.83Å; F658-V668 HydrophobicContact CG-CG2 4.17Å; F658-V668 HydrophobicContact CZ-CB 4.32Å; F658-V668 HydrophobicContact CZ-CG1 4.43Å; F658-V668 HydrophobicContact CZ-CG2 4.45Å; F658-V690 HydrophobicContact CD2-CG1 3.81Å; F658-V690 HydrophobicContact CE2-CB 4.47Å; F658-V690 HydrophobicContact CE2-CG1 3.93Å; F658-A691 HydrophobicContact CE1-CB 4.31Å; F658-A691 HydrophobicContact CE2-CB 4.4Å; F658-A691 HydrophobicContact CZ-CB 3.69Å; F658-Y694 HydrophobicContact CB-CD1 3.56Å; F658-Y694 HydrophobicContact CB-CD2 3.77Å; F658-Y694 HydrophobicContact CB-CE1 3.74Å; F658-Y694 HydrophobicContact CB-CE2 4.02Å; F658-Y694 HydrophobicContact CB-CG 3.57Å; F658-Y694 HydrophobicContact CD1-CD2 4.23Å; F658-Y694 AromaticContact CD1-CG 3.9Å; F658-Y694 HydrophobicContact CD1-CG 3.9Å; F658-Y694 HydrophobicContact CD2-CD2 4.04Å; F658-Y694 HydrophobicContact CD2-CE2 4.45Å; F658-Y694 HydrophobicContact CD2-CG 4.47Å; F658-Y694 HydrophobicContact CG-CD1 4.26Å; F658-Y694 AromaticContact CG-CD2 3.76Å; F658-Y694 HydrophobicContact CG-CD2 3.76Å; F658-Y694 HydrophobicContact CG-CE2 4.35Å; F658-Y694 AromaticContact CG-CG 3.75Å; F658-Y694 HydrophobicContact CG-CG 3.75Å; F658-C697 HydrophobicContact CD1-CB 3.67Å; F658-C697 HydrophobicContact CE1-CB 3.9Å; F658-L699 HydrophobicContact CZ-CB 4.33Å; F658-L699 HydrophobicContact CZ-CD1 4.2Å
659K96.2Very high96.8Very high136 Ų13640.8 Ų40.859%0.59121%0.209SC*.Hα-helixtrans-61.5-39.7175.5-75.2173.8-177.9176.70112.3H655 S656 Q662 Y694H655-K659 WeakPolarHBondContact O-CB 3.38Å; H655-K659 VanDerWaalsContact O-CG 3.26Å; H655-K659 WeakPolarHBondContact O-CG 3.33Å; H655-K659 PolarHBondContact O-N 3.17Å; S656-K659 PolarHBondContact O-N 2.89Å; K659-Q662 PolarHBondContact O-N 2.81Å; K659-Y694 HydrophobicContact CG-CE1 4.2Å
660I95.5Very high96.9Very high45 Ų4539.7 Ų39.723%0.23120%0.204CC..Hα-helixtrans-63.5-46.8174.3-68.8166.9000110.1I591 I617 V619 S656 A657 F658 Q662 G663 V720I591-I660 HydrophobicContact CD1-CD1 3.63Å; I591-I660 HydrophobicContact CG1-CD1 4.26Å; I591-I660 HydrophobicContact CG2-CD1 4.14Å; I617-I660 HydrophobicContact CD1-CG2 3.68Å; I617-I660 HydrophobicContact CG2-CG2 4.49Å; V619-I660 HydrophobicContact CG2-CD1 3.98Å; S656-I660 WeakPolarHBondContact O-CG1 3.4Å; S656-I660 PolarHBondContact O-N 3.4Å; S656-I660 VanDerWaalsContact O-N 3.09Å; A657-I660 PolarHBondContact O-N 3.35Å; F658-I660 VanDerWaalsContact C-N 3.32Å; F658-I660 PolarHBondContact O-N 3Å; I660-Q662 VanDerWaalsContact C-N 3.32Å; I660-Q662 PolarHBondContact O-N 2.79Å; I660-G663 PolarHBondContact O-N 3.09Å; I660-G663 VanDerWaalsContact O-N 3.12Å; I660-V720 HydrophobicContact CG2-CG2 3.92Å
661A97.6Very high97Very high0 Ų039.8 Ų39.80%020%0.204CC..Hα-helixtrans-62.3-35.5179.200000112.8A657 F658 G663 R664 K666 V668 V720A657-A661 WeakPolarHBondContact O-CB 3.19Å; A657-A661 PolarHBondContact O-N 3.03Å; F658-A661 PolarHBondContact O-N 2.71Å; A661-G663 PolarHBondContact O-N 3.02Å; A661-R664 CarbonylContact O-C 3.54Å; A661-R664 PolarHBondContact O-N 3.05Å; A661-K666 WeakPolarHBondContact O-CA 3.28Å; A661-K666 PolarHBondContact O-N 3.13Å; A661-V668 HydrophobicContact CB-CG2 3.5Å; A661-V668 VanDerWaalsContact CB-CG2 3.5Å; A661-V720 HydrophobicContact CB-CB 4.32Å; A661-V720 HydrophobicContact CB-CG2 3.81Å
662Q96.9Very high97Very high74 Ų7437.3 Ų37.335%0.34619%0.193SC..Hα-helixtrans-58.7-28.7175.7-77.4-173.9-45.700113.3F658 K659 I660 R664 Y694 D696 C697F658-Q662 WeakPolarHBondContact O-CG 3.39Å; F658-Q662 PolarHBondContact O-N 3.15Å; K659-Q662 PolarHBondContact O-N 2.81Å; I660-Q662 VanDerWaalsContact C-N 3.32Å; I660-Q662 PolarHBondContact O-N 2.79Å; Q662-R664 VanDerWaalsContact C-N 3.35Å; Q662-Y694 HydrophobicContact CG-CD1 4.37Å; Q662-D696 PolarHBondContact NE2-OD1 3.11Å; Q662-D696 PolarHBondContact NE2-OD2 3.05Å; Q662-C697 VanDerWaalsContact CG-SG 3.51Å
663G93Very high97Very high71 Ų7136.6 Ų36.673%0.73219%0.191SC*.THydrogen-bonded Turntrans-86.21174.200000114.9I660 A661I660-G663 PolarHBondContact O-N 3.09Å; I660-G663 VanDerWaalsContact O-N 3.12Å; A661-G663 PolarHBondContact O-N 3.02Å
664R94.3Very high97Very high70 Ų7037.1 Ų37.126%0.26420%0.195SC..THydrogen-bonded Turntrans-130.2-140-173.9-61.8178.160.390.9-5.3111D615 A661 Q662 K666 D719D615-R664 PolarHBondContact O-NH2 2.93Å; D615-R664 VanDerWaalsContact O-NH2 3.13Å; D615-R664 IonicContact OD1-CZ 2.8Å; D615-R664 IonicContact OD1-NH1 3.7Å; D615-R664 PolarHBondContact OD1-NH1 3.28Å; D615-R664 IonicContact OD1-NH2 3.68Å; D615-R664 PolarHBondContact OD1-NH2 3.25Å; D615-R664 IonicContact OD2-CZ 2.85Å; D615-R664 IonicContact OD2-NH1 2.77Å; D615-R664 IonicContact OD2-NH2 3.52Å; D615-R664 PolarHBondContact OD2-NH2 3.4Å; A661-R664 CarbonylContact O-C 3.54Å; A661-R664 PolarHBondContact O-N 3.05Å; Q662-R664 VanDerWaalsContact C-N 3.35Å; R664-K666 PolarHBondContact O-N 2.94Å; R664-D719 WeakPolarHBondContact CB-OD1 3.47Å; R664-D719 IonicContact CZ-OD1 2.74Å; R664-D719 IonicContact NE-OD1 3.54Å; R664-D719 PolarHBondContact NE-OD1 2.99Å; R664-D719 IonicContact NH2-OD1 3.46Å
665D95.3Very high96.9Very high138 Ų13841.3 Ų41.374%0.73822%0.218SC*.THydrogen-bonded Turntrans-78.85-179.4-70.9-21.7000113.5K667 D719D665-K667 VanDerWaalsContact C-N 3.26Å; D665-K667 PolarHBondContact O-N 3.22Å; D665-D719 HydrophobicContact CB-CB 4.21Å; D665-D719 PolarHBondContact N-OD2 3.16Å
666K97.9Very high96.8Very high88 Ų8844 Ų4438%0.38324%0.237SC..  trans59.834.2175.5-49.5-171.3178.3-162.40113A661 R664 D696 C697 Q698 D719A661-K666 WeakPolarHBondContact O-CA 3.28Å; A661-K666 PolarHBondContact O-N 3.13Å; R664-K666 PolarHBondContact O-N 2.94Å; K666-D696 WeakPolarHBondContact CB-O 3.4Å; K666-D696 WeakPolarHBondContact CD-O 3.18Å; K666-D696 IonicContact NZ-OD2 2.88Å; K666-C697 CarbonylContact O-C 3.4Å; K666-C697 VanDerWaalsContact O-CA 3.24Å; K666-C697 WeakPolarHBondContact O-CA 3.41Å; K666-Q698 PolarHBondContact O-N 3.43Å; K666-D719 PolarHBondContact N-OD2 2.96Å
667K98.3Very high96.8Very high37 Ų3745.8 Ų45.816%0.16124%0.244CC..EExtended strand (participates in β ladder)trans-121.9124.8177.9-179.4-174.8176.8-174.20111.4D665 E700 A717 D719 V720D665-K667 VanDerWaalsContact C-N 3.26Å; D665-K667 PolarHBondContact O-N 3.22Å; K667-E700 VanDerWaalsContact CE-OE1 3.3Å; K667-E700 WeakPolarHBondContact CE-OE1 3.28Å; K667-E700 WeakPolarHBondContact CE-OE2 3.48Å; K667-E700 IonicContact NZ-OE1 2.82Å; K667-E700 PolarHBondContact NZ-OE1 3.01Å; K667-E700 IonicContact NZ-OE2 2.71Å; K667-E700 PolarHBondContact NZ-OE2 2.84Å; K667-A717 PolarHBondContact NZ-O 3.49Å; K667-D719 HydrophobicContact CB-CB 3.94Å; K667-D719 PolarHBondContact N-OD2 3.04Å; K667-D719 WeakPolarHBondContact O-CB 3.41Å; K667-V720 PolarHBondContact O-N 3.25Å
668V98.6Very high96.7Very high0 Ų049.6 Ų49.60%028%0.276CS..EExtended strand (participates in β ladder)trans-114.4126.9175.5-179.70000109.7A657 F658 A661 Q698 L699 E700 V720 V722A657-V668 HydrophobicContact CB-CG1 4.43Å; F658-V668 HydrophobicContact CD1-CB 4.37Å; F658-V668 HydrophobicContact CD1-CG2 3.66Å; F658-V668 HydrophobicContact CE1-CB 4.03Å; F658-V668 HydrophobicContact CE1-CG2 3.83Å; F658-V668 HydrophobicContact CG-CG2 4.17Å; F658-V668 HydrophobicContact CZ-CB 4.32Å; F658-V668 HydrophobicContact CZ-CG1 4.43Å; F658-V668 HydrophobicContact CZ-CG2 4.45Å; A661-V668 HydrophobicContact CB-CG2 3.5Å; A661-V668 VanDerWaalsContact CB-CG2 3.5Å; V668-Q698 PolarHBondContact N-O 3.33Å; V668-L699 HydrophobicContact CB-CD1 4.44Å; V668-L699 HydrophobicContact CG1-CD1 4.22Å; V668-L699 CarbonylContact O-C 3.52Å; V668-L699 WeakPolarHBondContact O-CA 3.47Å; V668-E700 PolarHBondContact O-N 2.84Å; V668-V720 CarbonylContact C-O 3.14Å; V668-V720 WeakPolarHBondContact CA-O 3.07Å; V668-V720 HydrophobicContact CG2-CB 4.46Å; V668-V722 HydrophobicContact CG1-CB 4.42Å; V668-V722 HydrophobicContact CG1-CG1 3.54Å
669T98.6Very high96.6Very high0 Ų050.4 Ų50.40%028%0.281CS..EExtended strand (participates in β ladder)trans-109.4108.2174-51.60000109.5V671 E700 Q702 F718 V720 I721 V722T669-V671 HydrophobicContact CG2-CG2 4.27Å; T669-E700 CarbonylContact C-O 3.36Å; T669-E700 WeakPolarHBondContact CA-O 3.34Å; T669-E700 HydrophobicContact CG2-CG 3.75Å; T669-E700 WeakPolarHBondContact OG1-CG 3.06Å; T669-E700 PolarHBondContact OG1-OE1 3.31Å; T669-Q702 HydrophobicContact CG2-CB 4.2Å; T669-Q702 HydrophobicContact CG2-CG 3.79Å; T669-F718 HydrophobicContact CG2-CD1 3.94Å; T669-F718 HydrophobicContact CG2-CE1 3.68Å; T669-V720 PolarHBondContact N-O 2.79Å; T669-I721 WeakPolarHBondContact O-CA 3.45Å; T669-V722 PolarHBondContact O-N 2.82Å
670S98.5Very high96.7Very high0 Ų044 Ų440%025%0.253CS..EExtended strand (participates in β ladder)trans-82.8119.7174.5169.60000109.8E700 H701 Q702 V722S670-E700 PolarHBondContact N-O 3.12Å; S670-H701 WeakPolarHBondContact CB-ND1 3.43Å; S670-H701 WeakPolarHBondContact O-CA 3.37Å; S670-Q702 PolarHBondContact O-N 3.46Å; S670-V722 WeakPolarHBondContact CA-O 3.4Å
671V98.4Very high96.8Very high1 Ų147.6 Ų47.61%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-105.3127.7-178.8-179.90000110.6T669 Q702 V704 A707 I721 V722 T723 L731T669-V671 HydrophobicContact CG2-CG2 4.27Å; V671-Q702 WeakPolarHBondContact CA-O 3.49Å; V671-Q702 HydrophobicContact CG2-CB 4.33Å; V671-V704 VanDerWaalsContact CG1-CA 3.5Å; V671-V704 HydrophobicContact CG1-CB 3.88Å; V671-V704 HydrophobicContact CG1-CG2 4.18Å; V671-A707 HydrophobicContact CB-CB 4.45Å; V671-A707 HydrophobicContact CG1-CB 3.76Å; V671-A707 HydrophobicContact CG2-CB 3.76Å; V671-I721 HydrophobicContact CB-CG2 4.46Å; V671-I721 HydrophobicContact CG2-CG2 3.71Å; V671-V722 PolarHBondContact N-O 3.03Å; V671-T723 WeakPolarHBondContact O-CB 3.44Å; V671-T723 PolarHBondContact O-OG1 2.93Å; V671-L731 HydrophobicContact CB-CD1 4.35Å; V671-L731 HydrophobicContact CG1-CD1 3.88Å; V671-L731 HydrophobicContact CG2-CD1 4.47Å
672D97.5Very high96.8Very high1 Ų150.4 Ų50.41%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-150-176.8-174.171.853.3000112.3A674 R684 Q702 Y703 V704D672-A674 VanDerWaalsContact OD1-CB 3.22Å; D672-A674 WeakPolarHBondContact OD1-CB 3.45Å; D672-A674 PolarHBondContact OD1-N 2.83Å; D672-R684 IonicContact OD1-CZ 3.95Å; D672-R684 IonicContact OD1-NE 3.3Å; D672-R684 IonicContact OD1-NH2 3.29Å; D672-R684 PolarHBondContact OD1-NH2 3.17Å; D672-R684 IonicContact OD2-CZ 3.08Å; D672-R684 VanDerWaalsContact OD2-CZ 3.24Å; D672-R684 IonicContact OD2-NE 3.58Å; D672-R684 PolarHBondContact OD2-NE 3.38Å; D672-R684 IonicContact OD2-NH2 3.01Å; D672-R684 PolarHBondContact OD2-NH2 3.26Å; D672-Q702 PolarHBondContact N-O 2.82Å; D672-Q702 VanDerWaalsContact N-O 3.08Å; D672-Y703 CarbonylContact O-C 3.55Å; D672-Y703 WeakPolarHBondContact O-CA 3.5Å; D672-V704 PolarHBondContact O-N 3.05Å
673K97Very high96.8Very high37 Ų3747 Ų4716%0.16127%0.266CS..  trans-129.950.1164.6-159.860.7166.71740111.6N675 V676 L677 S680 V704 D705 F727K673-N675 VanDerWaalsContact CD-OD1 3.26Å; K673-N675 WeakPolarHBondContact CD-OD1 3.27Å; K673-N675 WeakPolarHBondContact CG-OD1 3.43Å; K673-N675 PolarHBondContact O-N 3.02Å; K673-N675 PolarHBondContact O-OD1 2.97Å; K673-V676 HydrophobicContact CG-CB 4.22Å; K673-V676 HydrophobicContact CG-CG2 4.29Å; K673-V676 PolarHBondContact O-N 2.83Å; K673-L677 HydrophobicContact CB-CD1 4.07Å; K673-L677 HydrophobicContact CB-CG 4.26Å; K673-L677 PolarHBondContact O-N 2.69Å; K673-S680 VanDerWaalsContact C-CB 3.42Å; K673-S680 VanDerWaalsContact N-CB 3.33Å; K673-S680 PolarHBondContact N-OG 3.15Å; K673-V704 HydrophobicContact CD-CG1 4.26Å; K673-D705 IonicContact NZ-OD1 3.98Å; K673-D705 PolarHBondContact NZ-OD1 2.82Å; K673-D705 IonicContact NZ-OD2 2.83Å; K673-D705 PolarHBondContact NZ-OD2 3.35Å; K673-F727 HydrophobicContact CB-CE2 4.11Å; K673-F727 HydrophobicContact CB-CZ 4.09Å
674A96.5Very high97.1Very high11 Ų1146.1 Ų46.19%0.09124%0.24CC..THydrogen-bonded Turntrans-63.3-14.3-171.200000114.5D672 V676 K681 R684D672-A674 VanDerWaalsContact OD1-CB 3.22Å; D672-A674 WeakPolarHBondContact OD1-CB 3.45Å; D672-A674 PolarHBondContact OD1-N 2.83Å; A674-V676 VanDerWaalsContact C-N 3.27Å; A674-K681 HydrophobicContact CB-CG 4.1Å; A674-K681 WeakPolarHBondContact O-CE 3.3Å; A674-K681 VanDerWaalsContact O-CG 3.23Å; A674-K681 WeakPolarHBondContact O-CG 3.32Å; A674-R684 HydrophobicContact CB-CB 4.41Å
675N95Very high97.3Very high87 Ų8745 Ų4547%0.46524%0.243SC..THydrogen-bonded Turntrans-72.5-18.9171.166-33.2000113.2K673 Y703K673-N675 VanDerWaalsContact CD-OD1 3.26Å; K673-N675 WeakPolarHBondContact CD-OD1 3.27Å; K673-N675 WeakPolarHBondContact CG-OD1 3.43Å; K673-N675 PolarHBondContact O-N 3.02Å; K673-N675 PolarHBondContact O-OD1 2.97Å; N675-Y703 HydrophobicContact CB-CE1 4.13Å
676V95.6Very high97.4Very high100 Ų10038.4 Ų38.461%0.60621%0.208SC*.THydrogen-bonded Turntrans-121.4-48.1-178.1-176.60000111.8K673 A674K673-V676 HydrophobicContact CG-CB 4.22Å; K673-V676 HydrophobicContact CG-CG2 4.29Å; K673-V676 PolarHBondContact O-N 2.83Å; A674-V676 VanDerWaalsContact C-N 3.27Å
677L96.2Very high97.4Very high66 Ų6634.2 Ų34.235%0.34619%0.19SC..  trans-96.8136.2-166.5-57178.9000113.1K673 S680 K681 F727K673-L677 HydrophobicContact CB-CD1 4.07Å; K673-L677 HydrophobicContact CB-CG 4.26Å; K673-L677 PolarHBondContact O-N 2.69Å; L677-S680 PolarHBondContact O-N 2.91Å; L677-K681 WeakPolarHBondContact O-CG 3.25Å; L677-K681 PolarHBondContact O-N 3.05Å; L677-K681 VanDerWaalsContact O-N 3.14Å; L677-F727 HydrophobicContact CD1-CZ 3.93Å
678A96.5Very high97.4Very high80 Ų8037.3 Ų37.366%0.66121%0.205SC*.Hα-helixtrans-67.3-40.717600000112.4S680 K681 L682A678-S680 VanDerWaalsContact C-N 3.34Å; A678-S680 PolarHBondContact O-N 3.05Å; A678-K681 WeakPolarHBondContact O-CB 3.24Å; A678-K681 PolarHBondContact O-N 2.86Å; A678-L682 PolarHBondContact O-N 2.92Å
679S95.9Very high97.4Very high17 Ų1741.4 Ų41.412%0.11922%0.224CC..Hα-helixtrans-56.2-48.2173.351.60000111.1K681 L682 W683S679-K681 VanDerWaalsContact C-N 3.31Å; S679-K681 PolarHBondContact O-N 3.12Å; S679-L682 WeakPolarHBondContact O-CB 3.48Å; S679-L682 PolarHBondContact O-N 3.46Å; S679-L682 VanDerWaalsContact O-N 3.15Å; S679-W683 PolarHBondContact O-N 3.27Å
680S97.3Very high97.4Very high0 Ų041.5 Ų41.50%023%0.225CC..Hα-helixtrans-63.2-31.6177.7-63.90000113.7K673 L677 A678 W683 R684 E724K673-S680 VanDerWaalsContact C-CB 3.42Å; K673-S680 VanDerWaalsContact N-CB 3.33Å; K673-S680 PolarHBondContact N-OG 3.15Å; L677-S680 PolarHBondContact O-N 2.91Å; A678-S680 VanDerWaalsContact C-N 3.34Å; A678-S680 PolarHBondContact O-N 3.05Å; S680-W683 WeakPolarHBondContact O-CB 3.4Å; S680-W683 PolarHBondContact O-N 3.14Å; S680-R684 PolarHBondContact O-N 3.15Å; S680-E724 PolarHBondContact OG-OE1 2.91Å
681K97.5Very high97.4Very high122 Ų12242.4 Ų42.453%0.5323%0.232SC..Hα-helixtrans-65.4-43.2172.7-71.8174.9-175.6175.90111.6A674 L677 A678 S679 R684 S685A674-K681 HydrophobicContact CB-CG 4.1Å; A674-K681 WeakPolarHBondContact O-CE 3.3Å; A674-K681 VanDerWaalsContact O-CG 3.23Å; A674-K681 WeakPolarHBondContact O-CG 3.32Å; L677-K681 WeakPolarHBondContact O-CG 3.25Å; L677-K681 PolarHBondContact O-N 3.05Å; L677-K681 VanDerWaalsContact O-N 3.14Å; A678-K681 WeakPolarHBondContact O-CB 3.24Å; A678-K681 PolarHBondContact O-N 2.86Å; S679-K681 VanDerWaalsContact C-N 3.31Å; S679-K681 PolarHBondContact O-N 3.12Å; K681-R684 PolarHBondContact O-N 3.12Å; K681-S685 PolarHBondContact O-N 3.45Å; K681-S685 VanDerWaalsContact O-N 3.08Å; K681-S685 PolarHBondContact O-OG 2.81Å
682L97.9Very high97.3Very high59 Ų5949.9 Ų49.931%0.30927%0.265SS..Hα-helixtrans-61.3-48.1174.5-179.863000110.4I650 A678 S679 R684 S685 T686I650-L682 HydrophobicContact CD1-CB 4.44Å; I650-L682 HydrophobicContact CD1-CD2 3.87Å; I650-L682 HydrophobicContact CD1-CG 3.79Å; A678-L682 PolarHBondContact O-N 2.92Å; S679-L682 WeakPolarHBondContact O-CB 3.48Å; S679-L682 PolarHBondContact O-N 3.46Å; S679-L682 VanDerWaalsContact O-N 3.15Å; L682-R684 VanDerWaalsContact C-N 3.33Å; L682-R684 PolarHBondContact O-N 2.95Å; L682-S685 WeakPolarHBondContact CA-OG 3.27Å; L682-S685 PolarHBondContact O-N 3Å; L682-S685 PolarHBondContact O-OG 3.26Å; L682-T686 WeakPolarHBondContact O-CB 3.31Å; L682-T686 PolarHBondContact O-N 3.37Å; L682-T686 PolarHBondContact O-OG1 2.91Å
683W98Very high97.4Very high2 Ų255.9 Ų55.91%0.00829%0.293CS..Hα-helixtrans-50.3-50.4174.6-93.691.1000112.8E621 Y645 I650 I653 S679 S680 T686 A687 V722 T723 E724E621-W683 HydrophobicContact CB-CH2 3.92Å; E621-W683 HydrophobicContact CB-CZ2 3.87Å; E621-W683 HydrophobicContact CG-CH2 4.47Å; E621-W683 HydrophobicContact CG-CZ2 4.24Å; Y645-W683 HydrophobicContact CD1-CZ2 4.32Å; Y645-W683 AromaticContact CD1-NE1 3.69Å; Y645-W683 AromaticContact CD2-NE1 3.44Å; Y645-W683 AromaticContact CE1-CZ2 3.95Å; Y645-W683 HydrophobicContact CE1-CZ2 3.95Å; Y645-W683 AromaticContact CE1-NE1 3.87Å; Y645-W683 AromaticContact CE2-NE1 3.62Å; Y645-W683 AromaticContact CG-NE1 3.49Å; Y645-W683 AromaticContact CZ-NE1 3.85Å; I650-W683 HydrophobicContact CB-CD2 4.44Å; I650-W683 HydrophobicContact CD1-CD2 4.22Å; I650-W683 HydrophobicContact CD1-CG 3.89Å; I650-W683 HydrophobicContact CG1-CD2 3.95Å; I650-W683 HydrophobicContact CG1-CG 4.16Å; I650-W683 HydrophobicContact CG1-CZ2 4.13Å; I650-W683 HydrophobicContact CG2-CD2 3.71Å; I650-W683 HydrophobicContact CG2-CE3 3.59Å; I650-W683 HydrophobicContact CG2-CG 4.21Å; I650-W683 HydrophobicContact CG2-CH2 4.45Å; I650-W683 HydrophobicContact CG2-CZ3 3.99Å; I653-W683 HydrophobicContact CG2-CH2 3.46Å; I653-W683 VanDerWaalsContact CG2-CH2 3.46Å; I653-W683 HydrophobicContact CG2-CZ2 4.3Å; I653-W683 HydrophobicContact CG2-CZ3 3.96Å; S679-W683 PolarHBondContact O-N 3.27Å; S680-W683 WeakPolarHBondContact O-CB 3.4Å; S680-W683 PolarHBondContact O-N 3.14Å; W683-T686 PolarHBondContact O-N 3.4Å; W683-A687 WeakPolarHBondContact O-CB 2.89Å; W683-A687 PolarHBondContact O-N 3.1Å; W683-V722 HydrophobicContact CZ3-CG2 4.33Å; W683-T723 WeakPolarHBondContact CH2-O 3.35Å; W683-E724 HydrophobicContact CZ2-CB 3.84Å
684R98Very high97.4Very high52 Ų5255.2 Ų55.220%0.19629%0.289CS..Hα-helixtrans-61.5-49.3179.1-175.5169.4-65.3-165.1-4.6112.3D672 A674 S680 K681 L682 T686 A687 E688D672-R684 IonicContact OD1-CZ 3.95Å; D672-R684 IonicContact OD1-NE 3.3Å; D672-R684 IonicContact OD1-NH2 3.29Å; D672-R684 PolarHBondContact OD1-NH2 3.17Å; D672-R684 IonicContact OD2-CZ 3.08Å; D672-R684 VanDerWaalsContact OD2-CZ 3.24Å; D672-R684 IonicContact OD2-NE 3.58Å; D672-R684 PolarHBondContact OD2-NE 3.38Å; D672-R684 IonicContact OD2-NH2 3.01Å; D672-R684 PolarHBondContact OD2-NH2 3.26Å; A674-R684 HydrophobicContact CB-CB 4.41Å; S680-R684 PolarHBondContact O-N 3.15Å; K681-R684 PolarHBondContact O-N 3.12Å; L682-R684 VanDerWaalsContact C-N 3.33Å; L682-R684 PolarHBondContact O-N 2.95Å; R684-T686 VanDerWaalsContact C-N 3.32Å; R684-T686 PolarHBondContact O-N 2.88Å; R684-A687 PolarHBondContact O-N 3.06Å; R684-E688 WeakPolarHBondContact O-CG 3.46Å; R684-E688 PolarHBondContact O-N 3.05Å; R684-E688 VanDerWaalsContact O-N 3.07Å
685S97.9Very high97.4Very high47 Ų4760.2 Ų60.233%0.32932%0.321SS..Hα-helixtrans-62.3-39.3179.154.30000112.7K681 L682 E688 E689K681-S685 PolarHBondContact O-N 3.45Å; K681-S685 VanDerWaalsContact O-N 3.08Å; K681-S685 PolarHBondContact O-OG 2.81Å; L682-S685 WeakPolarHBondContact CA-OG 3.27Å; L682-S685 PolarHBondContact O-N 3Å; L682-S685 PolarHBondContact O-OG 3.26Å; S685-E688 PolarHBondContact O-N 3.09Å; S685-E689 WeakPolarHBondContact O-CG 3.15Å; S685-E689 PolarHBondContact O-N 3.33Å; S685-E689 VanDerWaalsContact O-N 3.11Å
686T98.3Very high97.5Very high0 Ų059.2 Ų59.20%032%0.315CS..Hα-helixtrans-67.6-40.2177.2-54.70000111.3K647 I650 E651 L654 L682 W683 R684 E688 E689 V690K647-T686 HydrophobicContact CG-CG2 4.08Å; I650-T686 HydrophobicContact CB-CG2 4.12Å; I650-T686 HydrophobicContact CG2-CG2 3.74Å; E651-T686 HydrophobicContact CB-CG2 4.43Å; E651-T686 HydrophobicContact CG-CG2 3.4Å; L654-T686 HydrophobicContact CD1-CG2 3.81Å; L682-T686 WeakPolarHBondContact O-CB 3.31Å; L682-T686 PolarHBondContact O-N 3.37Å; L682-T686 PolarHBondContact O-OG1 2.91Å; W683-T686 PolarHBondContact O-N 3.4Å; R684-T686 VanDerWaalsContact C-N 3.32Å; R684-T686 PolarHBondContact O-N 2.88Å; T686-E688 PolarHBondContact O-N 2.58Å; T686-E689 PolarHBondContact O-N 2.76Å; T686-V690 HydrophobicContact CG2-CG2 4.24Å; T686-V690 WeakPolarHBondContact O-CG2 3.15Å; T686-V690 PolarHBondContact O-N 2.67Å
687A98.3Very high97.6Very high0 Ų055.2 Ų55.20%029%0.292CS..Hα-helixtrans-59.4-44.4174.900000112.3L654 W683 R684 E689 V690 A691 L699L654-A687 HydrophobicContact CD1-CB 4.03Å; L654-A687 HydrophobicContact CD2-CB 3.81Å; W683-A687 WeakPolarHBondContact O-CB 2.89Å; W683-A687 PolarHBondContact O-N 3.1Å; R684-A687 PolarHBondContact O-N 3.06Å; A687-E689 VanDerWaalsContact C-N 3.29Å; A687-E689 PolarHBondContact O-N 3.18Å; A687-V690 PolarHBondContact O-N 3.23Å; A687-A691 VanDerWaalsContact O-CB 3.27Å; A687-A691 WeakPolarHBondContact O-CB 3.41Å; A687-A691 PolarHBondContact O-N 3.34Å; A687-L699 HydrophobicContact CB-CD2 4.13Å; A687-L699 WeakPolarHBondContact O-CD2 3.48Å
688E98.3Very high97.7Very high102 Ų10257.8 Ų57.848%0.47730%0.302SS..Hα-helixtrans-63.9-32.5175.6-69.1174-179.600113R684 S685 T686R684-E688 WeakPolarHBondContact O-CG 3.46Å; R684-E688 PolarHBondContact O-N 3.05Å; R684-E688 VanDerWaalsContact O-N 3.07Å; S685-E688 PolarHBondContact O-N 3.09Å; T686-E688 PolarHBondContact O-N 2.58Å
689E98.2Very high97.8Very high85 Ų8556 Ų5640%0.39728%0.281SS..Hα-helixtrans-72.2-52.6174.9-74179.7-171.600111.9K647 S685 T686 A687 A691 K692K647-E689 WeakPolarHBondContact CE-OE2 3.38Å; K647-E689 IonicContact NZ-OE2 2.9Å; K647-E689 PolarHBondContact NZ-OE2 2.85Å; S685-E689 WeakPolarHBondContact O-CG 3.15Å; S685-E689 PolarHBondContact O-N 3.33Å; S685-E689 VanDerWaalsContact O-N 3.11Å; T686-E689 PolarHBondContact O-N 2.76Å; A687-E689 VanDerWaalsContact C-N 3.29Å; A687-E689 PolarHBondContact O-N 3.18Å; E689-A691 VanDerWaalsContact C-N 3.28Å; E689-A691 PolarHBondContact O-N 2.84Å; E689-K692 WeakPolarHBondContact O-CB 3.44Å; E689-K692 PolarHBondContact O-N 3.45Å; E689-K692 VanDerWaalsContact O-N 3.15Å
690V98.2Very high97.9Very high2 Ų257 Ų571%0.01228%0.284CS..Hα-helixtrans-61-37.3-179.8172.60000111.3E651 L654 F658 T686 A687 K692 E693 Y694E651-V690 HydrophobicContact CB-CG2 4.34Å; E651-V690 HydrophobicContact CG-CG2 3.99Å; L654-V690 HydrophobicContact CB-CB 4.3Å; L654-V690 HydrophobicContact CB-CG1 3.97Å; L654-V690 HydrophobicContact CB-CG2 4.34Å; L654-V690 HydrophobicContact CD1-CB 4.25Å; L654-V690 HydrophobicContact CD1-CG2 4Å; F658-V690 HydrophobicContact CD2-CG1 3.81Å; F658-V690 HydrophobicContact CE2-CB 4.47Å; F658-V690 HydrophobicContact CE2-CG1 3.93Å; T686-V690 HydrophobicContact CG2-CG2 4.24Å; T686-V690 WeakPolarHBondContact O-CG2 3.15Å; T686-V690 PolarHBondContact O-N 2.67Å; A687-V690 PolarHBondContact O-N 3.23Å; V690-K692 PolarHBondContact O-N 2.84Å; V690-E693 WeakPolarHBondContact O-CB 3.22Å; V690-E693 PolarHBondContact O-N 2.98Å; V690-Y694 HydrophobicContact CG1-CD2 4.22Å; V690-Y694 HydrophobicContact CG1-CE2 3.98Å; V690-Y694 WeakPolarHBondContact O-CD2 3.32Å
691A98.2Very high97.9Very high19 Ų1959.2 Ų59.216%0.15729%0.294CS..G310 helixtrans-56.4-26.2178.300000113.8F658 A687 E689 E693 Y694 L699F658-A691 HydrophobicContact CE1-CB 4.31Å; F658-A691 HydrophobicContact CE2-CB 4.4Å; F658-A691 HydrophobicContact CZ-CB 3.69Å; A687-A691 VanDerWaalsContact O-CB 3.27Å; A687-A691 WeakPolarHBondContact O-CB 3.41Å; A687-A691 PolarHBondContact O-N 3.34Å; E689-A691 VanDerWaalsContact C-N 3.28Å; E689-A691 PolarHBondContact O-N 2.84Å; A691-E693 PolarHBondContact O-N 3.1Å; A691-Y694 CarbonylContact O-C 3.53Å; A691-Y694 PolarHBondContact O-N 3.13Å; A691-Y694 VanDerWaalsContact O-N 3.09Å; A691-L699 HydrophobicContact CB-CB 4.1Å; A691-L699 HydrophobicContact CB-CD2 3.76Å
692K97.9Very high97.9Very high158 Ų15855.2 Ų55.269%0.68728%0.277SS*.G310 helixtrans-65.6-23177.2-62.7168.6-171.9163.10112.6E689 V690 Y694E689-K692 WeakPolarHBondContact O-CB 3.44Å; E689-K692 PolarHBondContact O-N 3.45Å; E689-K692 VanDerWaalsContact O-N 3.15Å; V690-K692 PolarHBondContact O-N 2.84Å; K692-Y694 VanDerWaalsContact C-N 3.35Å
693E98Very high97.9Very high127 Ų12756.4 Ų56.459%0.59328%0.278SS*.G310 helixtrans-82.5-15176.7-59.3-179.8-151.200112.7H655 V690 A691 P695H655-E693 IonicContact CE1-OE2 3.79Å; H655-E693 PolarHBondContact CE1-OE2 3.5Å; H655-E693 VanDerWaalsContact CE1-OE2 3.28Å; V690-E693 WeakPolarHBondContact O-CB 3.22Å; V690-E693 PolarHBondContact O-N 2.98Å; A691-E693 PolarHBondContact O-N 3.1Å; E693-P695 VanDerWaalsContact O-CD 3.27Å; E693-P695 WeakPolarHBondContact O-CD 3.23Å
694Y98.1Very high97.9Very high23 Ų2357.6 Ų57.69%0.0929%0.286CS..  trans-120.863-179.3-60.1-94.2000110.6H655 F658 K659 Q662 V690 A691 K692 D696 C697H655-Y694 AromaticContact CE1-CE2 3.85Å; H655-Y694 AromaticContact ND1-CE2 3.23Å; H655-Y694 WeakPolarHBondContact ND1-CE2 3.49Å; H655-Y694 AromaticContact ND1-CZ 3.48Å; H655-Y694 PolarHBondContact ND1-OH 3.38Å; F658-Y694 HydrophobicContact CB-CD1 3.56Å; F658-Y694 HydrophobicContact CB-CD2 3.77Å; F658-Y694 HydrophobicContact CB-CE1 3.74Å; F658-Y694 HydrophobicContact CB-CE2 4.02Å; F658-Y694 HydrophobicContact CB-CG 3.57Å; F658-Y694 HydrophobicContact CD1-CD2 4.23Å; F658-Y694 AromaticContact CD1-CG 3.9Å; F658-Y694 HydrophobicContact CD1-CG 3.9Å; F658-Y694 HydrophobicContact CD2-CD2 4.04Å; F658-Y694 HydrophobicContact CD2-CE2 4.45Å; F658-Y694 HydrophobicContact CD2-CG 4.47Å; F658-Y694 HydrophobicContact CG-CD1 4.26Å; F658-Y694 AromaticContact CG-CD2 3.76Å; F658-Y694 HydrophobicContact CG-CD2 3.76Å; F658-Y694 HydrophobicContact CG-CE2 4.35Å; F658-Y694 AromaticContact CG-CG 3.75Å; F658-Y694 HydrophobicContact CG-CG 3.75Å; K659-Y694 HydrophobicContact CG-CE1 4.2Å; Q662-Y694 HydrophobicContact CG-CD1 4.37Å; V690-Y694 HydrophobicContact CG1-CD2 4.22Å; V690-Y694 HydrophobicContact CG1-CE2 3.98Å; V690-Y694 WeakPolarHBondContact O-CD2 3.32Å; A691-Y694 CarbonylContact O-C 3.53Å; A691-Y694 PolarHBondContact O-N 3.13Å; A691-Y694 VanDerWaalsContact O-N 3.09Å; K692-Y694 VanDerWaalsContact C-N 3.35Å; Y694-D696 PolarHBondContact O-N 3.08Å; Y694-C697 PolarHBondContact O-N 3.19Å
695P96.4Very high97.8Very high117 Ų11758.9 Ų58.976%0.7630%0.297SS*.THydrogen-bonded Turntrans-65.5-12.4-174.229.3-37.5000113.8E693E693-P695 VanDerWaalsContact O-CD 3.27Å; E693-P695 WeakPolarHBondContact O-CD 3.23Å
696D97.4Very high97.7Very high65 Ų6558.7 Ų58.735%0.34830%0.295SS..THydrogen-bonded Turntrans-87.4-6.4174.669.2-48.7000113.6Q662 K666 Y694Q662-D696 PolarHBondContact NE2-OD1 3.11Å; Q662-D696 PolarHBondContact NE2-OD2 3.05Å; K666-D696 WeakPolarHBondContact CB-O 3.4Å; K666-D696 WeakPolarHBondContact CD-O 3.18Å; K666-D696 IonicContact NZ-OD2 2.88Å; Y694-D696 PolarHBondContact O-N 3.08Å
697C97.6Very high97.7Very high16 Ų1658.8 Ų58.811%0.10830%0.296CS..SBendtrans-105.6141.9174.4-67.20000112.2F658 Q662 K666 Y694F658-C697 HydrophobicContact CD1-CB 3.67Å; F658-C697 HydrophobicContact CE1-CB 3.9Å; Q662-C697 VanDerWaalsContact CG-SG 3.51Å; K666-C697 CarbonylContact O-C 3.4Å; K666-C697 VanDerWaalsContact O-CA 3.24Å; K666-C697 WeakPolarHBondContact O-CA 3.41Å; Y694-C697 PolarHBondContact O-N 3.19Å
698Q97.8Very high97.6Very high121 Ų12160.3 Ų60.357%0.56531%0.309SS*.EExtended strand (participates in β ladder)trans-88.3125.2170.1-177.4-178.9-2.900110.2K666 V668K666-Q698 PolarHBondContact O-N 3.43Å; V668-Q698 PolarHBondContact N-O 3.33Å
699L98.3Very high97.5Very high41 Ų4160.4 Ų60.422%0.21531%0.31CS..EExtended strand (participates in β ladder)trans-95132.6167.8178.465.1000110.5F658 V668 A687 A691F658-L699 HydrophobicContact CZ-CB 4.33Å; F658-L699 HydrophobicContact CZ-CD1 4.2Å; V668-L699 HydrophobicContact CB-CD1 4.44Å; V668-L699 HydrophobicContact CG1-CD1 4.22Å; V668-L699 CarbonylContact O-C 3.52Å; V668-L699 WeakPolarHBondContact O-CA 3.47Å; A687-L699 HydrophobicContact CB-CD2 4.13Å; A687-L699 WeakPolarHBondContact O-CD2 3.48Å; A691-L699 HydrophobicContact CB-CB 4.1Å; A691-L699 HydrophobicContact CB-CD2 3.76Å
700E98Very high97.4Very high38 Ų3858.7 Ų58.718%0.17830%0.302CS..EExtended strand (participates in β ladder)trans-127.3159.7163.174.3178.6-154.500111.5K667 V668 T669 S670 K710K667-E700 VanDerWaalsContact CE-OE1 3.3Å; K667-E700 WeakPolarHBondContact CE-OE1 3.28Å; K667-E700 WeakPolarHBondContact CE-OE2 3.48Å; K667-E700 IonicContact NZ-OE1 2.82Å; K667-E700 PolarHBondContact NZ-OE1 3.01Å; K667-E700 IonicContact NZ-OE2 2.71Å; K667-E700 PolarHBondContact NZ-OE2 2.84Å; V668-E700 PolarHBondContact O-N 2.84Å; T669-E700 CarbonylContact C-O 3.36Å; T669-E700 WeakPolarHBondContact CA-O 3.34Å; T669-E700 HydrophobicContact CG2-CG 3.75Å; T669-E700 WeakPolarHBondContact OG1-CG 3.06Å; T669-E700 PolarHBondContact OG1-OE1 3.31Å; S670-E700 PolarHBondContact N-O 3.12Å; E700-K710 IonicContact OE1-NZ 3.88Å
701H98.2Very high97.3Very high48 Ų4858.8 Ų58.822%0.22230%0.302CS..EExtended strand (participates in β ladder)trans-117.6142.7176.6-64.3-73.9000111.5S670S670-H701 WeakPolarHBondContact CB-ND1 3.43Å; S670-H701 WeakPolarHBondContact O-CA 3.37Å
702Q97.7Very high97.1Very high37 Ų3761.5 Ų61.517%0.17331%0.313CS..EExtended strand (participates in β ladder)trans-134.1145.3171.7-72-70.2-38.100109.8T669 S670 V671 D672 S706 A707 F718T669-Q702 HydrophobicContact CG2-CB 4.2Å; T669-Q702 HydrophobicContact CG2-CG 3.79Å; S670-Q702 PolarHBondContact O-N 3.46Å; V671-Q702 WeakPolarHBondContact CA-O 3.49Å; V671-Q702 HydrophobicContact CG2-CB 4.33Å; D672-Q702 PolarHBondContact N-O 2.82Å; D672-Q702 VanDerWaalsContact N-O 3.08Å; Q702-S706 PolarHBondContact OE1-OG 2.95Å; Q702-A707 HydrophobicContact CB-CB 3.99Å; Q702-F718 HydrophobicContact CG-CE1 4.44Å
703Y98Very high96.9Very high85 Ų8560.4 Ų60.433%0.33331%0.31SS..EExtended strand (participates in β ladder)trans-76.1145.3165.4-62.5-47.3000110D672 N675 D705 S706 A707D672-Y703 CarbonylContact O-C 3.55Å; D672-Y703 WeakPolarHBondContact O-CA 3.5Å; N675-Y703 HydrophobicContact CB-CE1 4.13Å; Y703-D705 VanDerWaalsContact C-N 3.29Å; Y703-D705 WeakPolarHBondContact CB-OD1 3.09Å; Y703-D705 PolarHBondContact O-N 2.85Å; Y703-S706 CarbonylContact O-C 3.1Å; Y703-S706 WeakPolarHBondContact O-CA 3.27Å; Y703-S706 WeakPolarHBondContact O-CB 3.5Å; Y703-S706 PolarHBondContact O-N 2.96Å; Y703-A707 PolarHBondContact O-N 3.49Å
704V97.4Very high96.8Very high26 Ų2657.9 Ų57.916%0.15830%0.301CS..Hα-helixtrans-54.8-39-173.366.40000114.3V671 D672 K673 A707 A708 F727 L731V671-V704 VanDerWaalsContact CG1-CA 3.5Å; V671-V704 HydrophobicContact CG1-CB 3.88Å; V671-V704 HydrophobicContact CG1-CG2 4.18Å; D672-V704 PolarHBondContact O-N 3.05Å; K673-V704 HydrophobicContact CD-CG1 4.26Å; V704-A707 PolarHBondContact O-N 2.83Å; V704-A708 WeakPolarHBondContact O-CB 3.47Å; V704-A708 PolarHBondContact O-N 3.49Å; V704-F727 HydrophobicContact CB-CD1 4.41Å; V704-F727 HydrophobicContact CB-CD2 4.06Å; V704-F727 HydrophobicContact CB-CE2 4.28Å; V704-F727 HydrophobicContact CB-CG 4.15Å; V704-F727 HydrophobicContact CG1-CD1 4.37Å; V704-F727 HydrophobicContact CG1-CD2 4.44Å; V704-F727 HydrophobicContact CG1-CE1 4.14Å; V704-F727 HydrophobicContact CG1-CE2 4.21Å; V704-F727 HydrophobicContact CG1-CZ 4.07Å; V704-F727 HydrophobicContact CG2-CB 3.92Å; V704-F727 HydrophobicContact CG2-CD1 3.92Å; V704-F727 HydrophobicContact CG2-CD2 4.15Å; V704-F727 HydrophobicContact CG2-CG 3.73Å; V704-L731 HydrophobicContact CG2-CD1 4.27Å; V704-L731 HydrophobicContact CG2-CD2 4.48Å; V704-L731 HydrophobicContact CG2-CG 4.39Å
705D95.8Very high96.7Very high80 Ų8056.8 Ų56.843%0.42830%0.297SS..Hα-helixtrans-65.5-43.7174.451.7-19.2000112.4K673 Y703 M709K673-D705 IonicContact NZ-OD1 3.98Å; K673-D705 PolarHBondContact NZ-OD1 2.82Å; K673-D705 IonicContact NZ-OD2 2.83Å; K673-D705 PolarHBondContact NZ-OD2 3.35Å; Y703-D705 VanDerWaalsContact C-N 3.29Å; Y703-D705 WeakPolarHBondContact CB-OD1 3.09Å; Y703-D705 PolarHBondContact O-N 2.85Å; D705-M709 WeakPolarHBondContact O-CG 3.28Å; D705-M709 PolarHBondContact O-N 2.92Å; D705-M709 VanDerWaalsContact O-N 3.1Å
706S96.4Very high96.6Very high43 Ų4355.5 Ų55.530%0.30128%0.279SS..Hα-helixtrans-65-40.5173.9-176.30000112Q702 Y703 M709 K710Q702-S706 PolarHBondContact OE1-OG 2.95Å; Y703-S706 CarbonylContact O-C 3.1Å; Y703-S706 WeakPolarHBondContact O-CA 3.27Å; Y703-S706 WeakPolarHBondContact O-CB 3.5Å; Y703-S706 PolarHBondContact O-N 2.96Å; S706-M709 PolarHBondContact O-N 3.25Å; S706-K710 VanDerWaalsContact O-CB 3.28Å; S706-K710 WeakPolarHBondContact O-CB 3.1Å; S706-K710 PolarHBondContact O-N 2.57Å
707A97.3Very high96.5Very high1 Ų153.5 Ų53.51%0.00827%0.271CS..Hα-helixtrans-63.6-46.9177.200000111.1V671 Q702 Y703 V704 M709 K710 L711V671-A707 HydrophobicContact CB-CB 4.45Å; V671-A707 HydrophobicContact CG1-CB 3.76Å; V671-A707 HydrophobicContact CG2-CB 3.76Å; Q702-A707 HydrophobicContact CB-CB 3.99Å; Y703-A707 PolarHBondContact O-N 3.49Å; V704-A707 PolarHBondContact O-N 2.83Å; A707-M709 PolarHBondContact O-N 3.14Å; A707-K710 PolarHBondContact O-N 3.27Å; A707-L711 VanDerWaalsContact O-CB 3.29Å; A707-L711 WeakPolarHBondContact O-CB 3.32Å; A707-L711 PolarHBondContact O-N 2.9Å
708A97.2Very high96.5Very high33 Ų3353 Ų5327%0.27327%0.267SS..Hα-helixtrans-58.3-47.2176.200000111.8V704 K710 L711 I712 L731V704-A708 WeakPolarHBondContact O-CB 3.47Å; V704-A708 PolarHBondContact O-N 3.49Å; A708-K710 PolarHBondContact O-N 3.33Å; A708-L711 PolarHBondContact O-N 2.68Å; A708-I712 PolarHBondContact O-N 2.82Å; A708-L731 HydrophobicContact CB-CD2 3.87Å
709M96Very high96.5Very high104 Ų10447.4 Ų47.451%0.51224%0.241SC..Hα-helixtrans-61.6-44.5175.5-72-174.1-69.600112.4D705 S706 A707 L711 I712 Q713D705-M709 WeakPolarHBondContact O-CG 3.28Å; D705-M709 PolarHBondContact O-N 2.92Å; D705-M709 VanDerWaalsContact O-N 3.1Å; S706-M709 PolarHBondContact O-N 3.25Å; A707-M709 PolarHBondContact O-N 3.14Å; M709-L711 VanDerWaalsContact C-N 3.34Å; M709-I712 PolarHBondContact O-N 2.92Å; M709-Q713 WeakPolarHBondContact O-CB 3.31Å; M709-Q713 VanDerWaalsContact O-CG 3.27Å; M709-Q713 WeakPolarHBondContact O-CG 3.3Å; M709-Q713 PolarHBondContact O-N 3.03Å
710K96.1Very high96.5Very high49 Ų4945.4 Ų45.421%0.21323%0.231CC..Hα-helixtrans-68.7-33.8-178.4-169.8178.5-178.2-164.30112.1E700 S706 A707 A708 I712 Q713 N714 A717 F718E700-K710 IonicContact OE1-NZ 3.88Å; S706-K710 VanDerWaalsContact O-CB 3.28Å; S706-K710 WeakPolarHBondContact O-CB 3.1Å; S706-K710 PolarHBondContact O-N 2.57Å; A707-K710 PolarHBondContact O-N 3.27Å; A708-K710 PolarHBondContact O-N 3.33Å; K710-I712 PolarHBondContact O-N 2.91Å; K710-Q713 PolarHBondContact O-N 3.23Å; K710-N714 CarbonylContact O-C 3.43Å; K710-N714 VanDerWaalsContact O-C 3.23Å; K710-N714 PolarHBondContact O-N 3.15Å; K710-A717 VanDerWaalsContact CE-CB 3.45Å; K710-F718 HydrophobicContact CB-CE2 4.03Å; K710-F718 HydrophobicContact CB-CZ 3.96Å; K710-F718 HydrophobicContact CD-CE1 4.42Å; K710-F718 HydrophobicContact CD-CE2 4.15Å; K710-F718 HydrophobicContact CD-CZ 3.76Å; K710-F718 HydrophobicContact CG-CE2 3.92Å; K710-F718 HydrophobicContact CG-CZ 3.97Å
711L95.4Very high96.5Very high3 Ų343.7 Ų43.72%0.01622%0.223CC..Hα-helixtrans-59.8-38175.8-176.366.7000110.9L616 A707 A708 M709 P715 F718 I721 E734 A735 L738L616-L711 HydrophobicContact CD2-CD1 3.76Å; A707-L711 VanDerWaalsContact O-CB 3.29Å; A707-L711 WeakPolarHBondContact O-CB 3.32Å; A707-L711 PolarHBondContact O-N 2.9Å; A708-L711 PolarHBondContact O-N 2.68Å; M709-L711 VanDerWaalsContact C-N 3.34Å; L711-P715 HydrophobicContact CD1-CB 4.48Å; L711-P715 VanDerWaalsContact O-CB 3.23Å; L711-P715 WeakPolarHBondContact O-CB 3.23Å; L711-P715 VanDerWaalsContact O-CD 3.28Å; L711-P715 WeakPolarHBondContact O-CD 3.24Å; L711-F718 HydrophobicContact CB-CE2 4.25Å; L711-F718 HydrophobicContact CD1-CD2 4.3Å; L711-F718 HydrophobicContact CD1-CE2 4.49Å; L711-I721 HydrophobicContact CD1-CD1 4.49Å; L711-E734 HydrophobicContact CD2-CB 4.39Å; L711-A735 HydrophobicContact CD1-CB 4.39Å; L711-A735 HydrophobicContact CD2-CB 3.93Å; L711-L738 HydrophobicContact CD1-CD1 4.06Å; L711-L738 HydrophobicContact CG-CD1 4.38Å
712I94Very high96.5Very high76 Ų7641.4 Ų41.439%0.3921%0.212SC..Hα-helixtrans-77.5-43.7175.3-62.1178.1000111.5L606 A708 M709 K710L606-I712 HydrophobicContact CD1-CG2 3.95Å; L606-I712 HydrophobicContact CD2-CG2 3.81Å; A708-I712 PolarHBondContact O-N 2.82Å; M709-I712 PolarHBondContact O-N 2.92Å; K710-I712 PolarHBondContact O-N 2.91Å
713Q94.6Very high96.5Very high136 Ų13639.7 Ų39.764%0.63620%0.204SC*.Hα-helixtrans-76.7-34.9-172.2-70.9174.13.900114.2M709 K710M709-Q713 WeakPolarHBondContact O-CB 3.31Å; M709-Q713 VanDerWaalsContact O-CG 3.27Å; M709-Q713 WeakPolarHBondContact O-CG 3.3Å; M709-Q713 PolarHBondContact O-N 3.03Å; K710-Q713 PolarHBondContact O-N 3.23Å
714N95.3Very high96.5Very high74 Ų7436 Ų3640%0.39619%0.19SC..  trans-158.670.5-176.7-174.214.1000110.6K710 K716 A717K710-N714 CarbonylContact O-C 3.43Å; K710-N714 VanDerWaalsContact O-C 3.23Å; K710-N714 PolarHBondContact O-N 3.15Å; N714-K716 PolarHBondContact O-N 3.39Å; N714-A717 VanDerWaalsContact O-CB 3.28Å; N714-A717 WeakPolarHBondContact O-CB 3.39Å; N714-A717 PolarHBondContact O-N 2.92Å
715P95.5Very high96.4Very high0 Ų034.8 Ų34.80%018%0.183CC..G310 helixtrans-58.8-32.8-177.920.2-30.4000113.2I610 T614 L616 L711 A717 F718 L738I610-P715 HydrophobicContact CG2-CG 4.48Å; T614-P715 HydrophobicContact CG2-CB 3.7Å; T614-P715 HydrophobicContact CG2-CG 4.11Å; T614-P715 WeakPolarHBondContact OG1-CG 3.17Å; L616-P715 HydrophobicContact CD2-CB 4.14Å; L711-P715 HydrophobicContact CD1-CB 4.48Å; L711-P715 VanDerWaalsContact O-CB 3.23Å; L711-P715 WeakPolarHBondContact O-CB 3.23Å; L711-P715 VanDerWaalsContact O-CD 3.28Å; L711-P715 WeakPolarHBondContact O-CD 3.24Å; P715-A717 PolarHBondContact O-N 3.09Å; P715-F718 PolarHBondContact O-N 3.06Å; P715-L738 HydrophobicContact CB-CD1 3.71Å; P715-L738 HydrophobicContact CG-CD1 4.27Å; P715-L738 HydrophobicContact CG-CD2 4.33Å
716K94.7Very high96.4Very high90 Ų9033.5 Ų33.539%0.39118%0.175SC..G310 helixtrans-54.5-15.2173.7-69.9-179.8-85.8-146.10115.2E609 I610 E612 N714 F718E609-K716 PolarHBondContact O-NZ 3.37Å; I610-K716 WeakPolarHBondContact O-CE 3.31Å; I610-K716 PolarHBondContact O-NZ 3.41Å; E612-K716 VanDerWaalsContact O-CD 3.32Å; E612-K716 WeakPolarHBondContact O-CD 3.39Å; E612-K716 PolarHBondContact O-NZ 3.16Å; N714-K716 PolarHBondContact O-N 3.39Å; K716-F718 PolarHBondContact O-N 3.11Å
717A95.1Very high96.4Very high22 Ų2232.5 Ų32.518%0.18217%0.166CC..G310 helixtrans-74.6-13.1176.700000113.5K667 K710 N714 P715K667-A717 PolarHBondContact NZ-O 3.49Å; K710-A717 VanDerWaalsContact CE-CB 3.45Å; N714-A717 VanDerWaalsContact O-CB 3.28Å; N714-A717 WeakPolarHBondContact O-CB 3.39Å; N714-A717 PolarHBondContact O-N 2.92Å; P715-A717 PolarHBondContact O-N 3.09Å
718F97.2Very high96.3Very high6 Ų632.5 Ų32.53%0.02617%0.166CC..  trans-103.8143.5179-61-73.3000111L616 T669 Q702 K710 L711 P715 K716 I721L616-F718 HydrophobicContact CB-CB 4.27Å; L616-F718 HydrophobicContact CD2-CB 4.26Å; T669-F718 HydrophobicContact CG2-CD1 3.94Å; T669-F718 HydrophobicContact CG2-CE1 3.68Å; Q702-F718 HydrophobicContact CG-CE1 4.44Å; K710-F718 HydrophobicContact CB-CE2 4.03Å; K710-F718 HydrophobicContact CB-CZ 3.96Å; K710-F718 HydrophobicContact CD-CE1 4.42Å; K710-F718 HydrophobicContact CD-CE2 4.15Å; K710-F718 HydrophobicContact CD-CZ 3.76Å; K710-F718 HydrophobicContact CG-CE2 3.92Å; K710-F718 HydrophobicContact CG-CZ 3.97Å; L711-F718 HydrophobicContact CB-CE2 4.25Å; L711-F718 HydrophobicContact CD1-CD2 4.3Å; L711-F718 HydrophobicContact CD1-CE2 4.49Å; P715-F718 PolarHBondContact O-N 3.06Å; K716-F718 PolarHBondContact O-N 3.11Å; F718-I721 HydrophobicContact CB-CD1 4Å; F718-I721 HydrophobicContact CB-CG1 3.97Å; F718-I721 HydrophobicContact CD1-CD1 3.81Å; F718-I721 HydrophobicContact CD1-CG1 3.73Å; F718-I721 HydrophobicContact CD2-CD1 4.06Å; F718-I721 HydrophobicContact CE1-CD1 4.23Å; F718-I721 HydrophobicContact CE1-CG1 4.38Å; F718-I721 HydrophobicContact CE2-CD1 4.46Å; F718-I721 HydrophobicContact CG-CD1 3.7Å; F718-I721 HydrophobicContact CG-CG1 3.93Å
719D97.6Very high96.1Very high3 Ų332.4 Ų32.42%0.01616%0.161CC..SBendtrans-111.1-73.4168.9169.725.8000108.1L616 I617 R664 D665 K666 K667L616-D719 CarbonylContact C-O 3.6Å; L616-D719 VanDerWaalsContact CA-O 3.27Å; L616-D719 WeakPolarHBondContact CA-O 3.31Å; I617-D719 PolarHBondContact N-O 2.89Å; R664-D719 WeakPolarHBondContact CB-OD1 3.47Å; R664-D719 IonicContact CZ-OD1 2.74Å; R664-D719 IonicContact NE-OD1 3.54Å; R664-D719 PolarHBondContact NE-OD1 2.99Å; R664-D719 IonicContact NH2-OD1 3.46Å; D665-D719 HydrophobicContact CB-CB 4.21Å; D665-D719 PolarHBondContact N-OD2 3.16Å; K666-D719 PolarHBondContact N-OD2 2.96Å; K667-D719 HydrophobicContact CB-CB 3.94Å; K667-D719 PolarHBondContact N-OD2 3.04Å; K667-D719 WeakPolarHBondContact O-CB 3.41Å
720V98.4Very high96Very high0 Ų031.4 Ų31.40%016%0.157CC..EExtended strand (participates in β ladder)trans-113.9121.2171.7-176.60000110.3I617 V619 A657 I660 A661 K667 V668 T669I617-V720 CarbonylContact O-C 3.45Å; I617-V720 WeakPolarHBondContact O-CA 3.42Å; V619-V720 HydrophobicContact CG2-CG1 3.68Å; A657-V720 HydrophobicContact CB-CG1 3.96Å; I660-V720 HydrophobicContact CG2-CG2 3.92Å; A661-V720 HydrophobicContact CB-CB 4.32Å; A661-V720 HydrophobicContact CB-CG2 3.81Å; K667-V720 PolarHBondContact O-N 3.25Å; V668-V720 CarbonylContact C-O 3.14Å; V668-V720 WeakPolarHBondContact CA-O 3.07Å; V668-V720 HydrophobicContact CG2-CB 4.46Å; T669-V720 PolarHBondContact N-O 2.79Å
721I98.6Very high96Very high2 Ų229.2 Ų29.21%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-95.7130.9169.9-62.7176.6000108L616 I617 I618 V619 T669 V671 L711 F718L616-I721 HydrophobicContact CD1-CD1 4.49Å; I617-I721 PolarHBondContact O-N 2.64Å; I618-I721 HydrophobicContact CG1-CB 4.21Å; I618-I721 HydrophobicContact CG1-CD1 4.29Å; V619-I721 PolarHBondContact N-O 2.96Å; T669-I721 WeakPolarHBondContact O-CA 3.45Å; V671-I721 HydrophobicContact CB-CG2 4.46Å; V671-I721 HydrophobicContact CG2-CG2 3.71Å; L711-I721 HydrophobicContact CD1-CD1 4.49Å; F718-I721 HydrophobicContact CB-CD1 4Å; F718-I721 HydrophobicContact CB-CG1 3.97Å; F718-I721 HydrophobicContact CD1-CD1 3.81Å; F718-I721 HydrophobicContact CD1-CG1 3.73Å; F718-I721 HydrophobicContact CD2-CD1 4.06Å; F718-I721 HydrophobicContact CE1-CD1 4.23Å; F718-I721 HydrophobicContact CE1-CG1 4.38Å; F718-I721 HydrophobicContact CE2-CD1 4.46Å; F718-I721 HydrophobicContact CG-CD1 3.7Å; F718-I721 HydrophobicContact CG-CG1 3.93Å
722V98.5Very high95.8Very high0 Ų029.1 Ų29.10%015%0.147CC..EExtended strand (participates in β ladder)trans-124.9132.3173.964.30000110.7V619 I653 L654 A657 V668 T669 S670 V671 W683V619-V722 HydrophobicContact CB-CB 4.4Å; V619-V722 HydrophobicContact CB-CG2 4.34Å; V619-V722 HydrophobicContact CG1-CG2 4.28Å; V619-V722 WeakPolarHBondContact O-CA 3.37Å; I653-V722 HydrophobicContact CG1-CG2 4.24Å; L654-V722 HydrophobicContact CD2-CG1 3.85Å; L654-V722 HydrophobicContact CD2-CG2 4.22Å; A657-V722 HydrophobicContact CB-CB 3.66Å; A657-V722 HydrophobicContact CB-CG1 4.23Å; A657-V722 HydrophobicContact CB-CG2 3.75Å; V668-V722 HydrophobicContact CG1-CB 4.42Å; V668-V722 HydrophobicContact CG1-CG1 3.54Å; T669-V722 PolarHBondContact O-N 2.82Å; S670-V722 WeakPolarHBondContact CA-O 3.4Å; V671-V722 PolarHBondContact N-O 3.03Å; W683-V722 HydrophobicContact CZ3-CG2 4.33Å
723T98.3Very high95.6Very high0 Ų028.8 Ų28.80%015%0.146CC..EExtended strand (participates in β ladder)trans-159.7171.9-174.7-164.90000113.8V619 E621 V671 W683 F727 G728V619-T723 PolarHBondContact O-N 2.78Å; V619-T723 VanDerWaalsContact O-N 3.14Å; E621-T723 PolarHBondContact N-O 3.12Å; E621-T723 VanDerWaalsContact N-O 3.14Å; V671-T723 WeakPolarHBondContact O-CB 3.44Å; V671-T723 PolarHBondContact O-OG1 2.93Å; W683-T723 WeakPolarHBondContact CH2-O 3.35Å; T723-F727 HydrophobicContact CG2-CB 4.24Å; T723-F727 WeakPolarHBondContact OG1-CB 3.36Å; T723-G728 VanDerWaalsContact CG2-N 3.27Å
724E97.2Very high95.4Very high8 Ų826.8 Ų26.84%0.03714%0.136CC..  trans-71.2168.5176.472.7179.911800112.5Y645 S680 W683 L726 F727 G728Y645-E724 HydrophobicContact CE2-CB 3.8Å; Y645-E724 WeakPolarHBondContact CE2-OE2 3.31Å; Y645-E724 WeakPolarHBondContact OH-CB 3.48Å; S680-E724 PolarHBondContact OG-OE1 2.91Å; W683-E724 HydrophobicContact CZ2-CB 3.84Å; E724-L726 PolarHBondContact O-N 2.95Å; E724-F727 HydrophobicContact CG-CB 4.18Å; E724-F727 HydrophobicContact CG-CD2 3.53Å; E724-F727 HydrophobicContact CG-CE2 4.02Å; E724-F727 HydrophobicContact CG-CG 3.9Å; E724-F727 PolarHBondContact O-N 2.85Å; E724-F727 WeakPolarHBondContact OE1-CD2 3.07Å; E724-F727 WeakPolarHBondContact OE1-CE2 3.43Å; E724-G728 PolarHBondContact O-N 2.71Å
725N94.8Very high95.3Very high1 Ų123.3 Ų23.31%0.00512%0.118CC..Hα-helixtrans-60.8-52-164.3-161.9-18.9000113.5R620 E621 L622 S624 Y627 Y645 G728 D729R620-N725 VanDerWaalsContact CZ-OD1 3.25Å; R620-N725 PolarHBondContact NE-O 3.42Å; R620-N725 PolarHBondContact NE-OD1 2.99Å; R620-N725 PolarHBondContact NH2-OD1 3.36Å; E621-N725 WeakPolarHBondContact O-CA 3.41Å; E621-N725 WeakPolarHBondContact O-CB 3.24Å; E621-N725 PolarHBondContact O-OD1 3.02Å; L622-N725 PolarHBondContact O-ND2 3.47Å; S624-N725 WeakPolarHBondContact O-CB 3Å; S624-N725 PolarHBondContact O-ND2 3.41Å; Y627-N725 HydrophobicContact CD2-CB 4.36Å; Y627-N725 VanDerWaalsContact CD2-OD1 3.3Å; Y627-N725 WeakPolarHBondContact CD2-OD1 3.34Å; Y645-N725 WeakPolarHBondContact OH-CB 3.28Å; Y645-N725 PolarHBondContact OH-N 3.28Å; N725-G728 PolarHBondContact O-N 2.82Å; N725-D729 PolarHBondContact O-N 2.91Å
726L95.8Very high94.9Very high52 Ų5223.3 Ų23.327%0.27212%0.118SC..Hα-helixtrans-65.5-43.8-178.9179.864000112.3I626 Y627 E724 D729 I730I626-L726 HydrophobicContact CD1-CD2 4.41Å; I626-L726 HydrophobicContact CG2-CB 3.82Å; I626-L726 HydrophobicContact CG2-CD1 4.42Å; I626-L726 HydrophobicContact CG2-CD2 4.15Å; I626-L726 HydrophobicContact CG2-CG 4.34Å; Y627-L726 HydrophobicContact CE1-CD1 4.28Å; Y627-L726 WeakPolarHBondContact OH-CD1 3.4Å; E724-L726 PolarHBondContact O-N 2.95Å; L726-D729 WeakPolarHBondContact O-CB 3.28Å; L726-D729 PolarHBondContact O-N 2.76Å; L726-I730 HydrophobicContact CD1-CD1 4.09Å; L726-I730 HydrophobicContact CG-CD1 4.11Å; L726-I730 WeakPolarHBondContact O-CG1 3.35Å; L726-I730 PolarHBondContact O-N 3.29Å
727F97.2Very high94.6Very high23 Ų2322 Ų2210%0.10112%0.117CC..Hα-helixtrans-68.9-38.4-179.6-63.4-17.1000111.4K673 L677 V704 T723 E724 D729 L731K673-F727 HydrophobicContact CB-CE2 4.11Å; K673-F727 HydrophobicContact CB-CZ 4.09Å; L677-F727 HydrophobicContact CD1-CZ 3.93Å; V704-F727 HydrophobicContact CB-CD1 4.41Å; V704-F727 HydrophobicContact CB-CD2 4.06Å; V704-F727 HydrophobicContact CB-CE2 4.28Å; V704-F727 HydrophobicContact CB-CG 4.15Å; V704-F727 HydrophobicContact CG1-CD1 4.37Å; V704-F727 HydrophobicContact CG1-CD2 4.44Å; V704-F727 HydrophobicContact CG1-CE1 4.14Å; V704-F727 HydrophobicContact CG1-CE2 4.21Å; V704-F727 HydrophobicContact CG1-CZ 4.07Å; V704-F727 HydrophobicContact CG2-CB 3.92Å; V704-F727 HydrophobicContact CG2-CD1 3.92Å; V704-F727 HydrophobicContact CG2-CD2 4.15Å; V704-F727 HydrophobicContact CG2-CG 3.73Å; T723-F727 HydrophobicContact CG2-CB 4.24Å; T723-F727 WeakPolarHBondContact OG1-CB 3.36Å; E724-F727 HydrophobicContact CG-CB 4.18Å; E724-F727 HydrophobicContact CG-CD2 3.53Å; E724-F727 HydrophobicContact CG-CE2 4.02Å; E724-F727 HydrophobicContact CG-CG 3.9Å; E724-F727 PolarHBondContact O-N 2.85Å; E724-F727 WeakPolarHBondContact OE1-CD2 3.07Å; E724-F727 WeakPolarHBondContact OE1-CE2 3.43Å; F727-D729 VanDerWaalsContact C-N 3.32Å; F727-L731 VanDerWaalsContact O-CB 3.27Å; F727-L731 WeakPolarHBondContact O-CB 3.41Å; F727-L731 WeakPolarHBondContact O-CG 3.34Å; F727-L731 PolarHBondContact O-N 3.01Å
728G95.4Very high94.5Very high0 Ų021.1 Ų21.10%011%0.109CC..Hα-helixtrans-63.8-39.8176.100000112T723 E724 N725 S732T723-G728 VanDerWaalsContact CG2-N 3.27Å; E724-G728 PolarHBondContact O-N 2.71Å; N725-G728 PolarHBondContact O-N 2.82Å; G728-S732 WeakPolarHBondContact O-CB 3.25Å; G728-S732 PolarHBondContact O-N 2.84Å; G728-S732 PolarHBondContact O-OG 3.03Å
729D92Very high94.1Very high32 Ų3220.9 Ų20.917%0.17111%0.109CC..Hα-helixtrans-53.5-63.1173.8-149.212.4000110.4R620 Y627 N725 L726 F727 L731 S732 D733R620-D729 VanDerWaalsContact CZ-CB 3.43Å; R620-D729 VanDerWaalsContact CZ-CG 3.4Å; R620-D729 IonicContact CZ-OD1 2.68Å; R620-D729 VanDerWaalsContact CZ-OD1 3.3Å; R620-D729 IonicContact CZ-OD2 3.71Å; R620-D729 IonicContact NH1-OD1 3.31Å; R620-D729 PolarHBondContact NH1-OD1 3.41Å; R620-D729 IonicContact NH1-OD2 2.78Å; R620-D729 IonicContact NH2-OD1 3.29Å; R620-D729 PolarHBondContact NH2-OD1 2.93Å; R620-D729 IonicContact NH2-OD2 2.79Å; R620-D729 PolarHBondContact NH2-OD2 3.29Å; R620-D729 VanDerWaalsContact NH2-OD2 3.1Å; Y627-D729 HydrophobicContact CE2-CB 4.48Å; Y627-D729 WeakPolarHBondContact CE2-OD2 3.24Å; Y627-D729 PolarHBondContact OH-OD2 3.1Å; N725-D729 PolarHBondContact O-N 2.91Å; L726-D729 WeakPolarHBondContact O-CB 3.28Å; L726-D729 PolarHBondContact O-N 2.76Å; F727-D729 VanDerWaalsContact C-N 3.32Å; D729-L731 PolarHBondContact O-N 2.62Å; D729-S732 PolarHBondContact O-N 2.93Å; D729-S732 PolarHBondContact O-OG 2.93Å; D729-D733 PolarHBondContact O-N 3.33Å
730I94.3Very high93.5Very high83 Ų8321.9 Ų21.943%0.42612%0.12SC..Hα-helixtrans-58.7-51.3-176.5-63.6166.4000110.7L726 S732 D733 E734L726-I730 HydrophobicContact CD1-CD1 4.09Å; L726-I730 HydrophobicContact CG-CD1 4.11Å; L726-I730 WeakPolarHBondContact O-CG1 3.35Å; L726-I730 PolarHBondContact O-N 3.29Å; I730-S732 VanDerWaalsContact C-N 3.27Å; I730-S732 PolarHBondContact O-N 3.07Å; I730-D733 PolarHBondContact O-N 3.08Å; I730-E734 HydrophobicContact CG2-CG 4.39Å; I730-E734 VanDerWaalsContact O-CG 3.3Å; I730-E734 WeakPolarHBondContact O-CG 3.29Å; I730-E734 PolarHBondContact O-N 2.97Å
731L95.6Very high92.7Very high3 Ų323 Ų232%0.01613%0.128CC..Hα-helixtrans-63.8-33.7-176.8-71174.6000112.7V671 V704 A708 F727 D729 A735V671-L731 HydrophobicContact CB-CD1 4.35Å; V671-L731 HydrophobicContact CG1-CD1 3.88Å; V671-L731 HydrophobicContact CG2-CD1 4.47Å; V704-L731 HydrophobicContact CG2-CD1 4.27Å; V704-L731 HydrophobicContact CG2-CD2 4.48Å; V704-L731 HydrophobicContact CG2-CG 4.39Å; A708-L731 HydrophobicContact CB-CD2 3.87Å; F727-L731 VanDerWaalsContact O-CB 3.27Å; F727-L731 WeakPolarHBondContact O-CB 3.41Å; F727-L731 WeakPolarHBondContact O-CG 3.34Å; F727-L731 PolarHBondContact O-N 3.01Å; D729-L731 PolarHBondContact O-N 2.62Å; L731-A735 VanDerWaalsContact O-CB 3.28Å; L731-A735 WeakPolarHBondContact O-CB 3.46Å; L731-A735 PolarHBondContact O-N 3.41Å
732S92.1Very high91.8Very high1 Ų126.7 Ų26.71%0.00715%0.147CC..Hα-helixtrans-75.6-33.2178.767.50000113.2R592 G728 D729 I730 A735 S736R592-S732 VanDerWaalsContact CD-OG 3.31Å; R592-S732 WeakPolarHBondContact CD-OG 3.44Å; R592-S732 PolarHBondContact NH1-OG 3.43Å; G728-S732 WeakPolarHBondContact O-CB 3.25Å; G728-S732 PolarHBondContact O-N 2.84Å; G728-S732 PolarHBondContact O-OG 3.03Å; D729-S732 PolarHBondContact O-N 2.93Å; D729-S732 PolarHBondContact O-OG 2.93Å; I730-S732 VanDerWaalsContact C-N 3.27Å; I730-S732 PolarHBondContact O-N 3.07Å; S732-A735 PolarHBondContact O-N 3.18Å; S732-S736 PolarHBondContact O-N 2.93Å; S732-S736 VanDerWaalsContact O-N 3.15Å
733D88.5Confident91.1Very high68 Ų6827 Ų2736%0.36415%0.15SC..Hα-helixtrans-69.1-40.5172.1-68-0.2000110.3R592 D729 I730 A735 S736R592-D733 IonicContact NH1-OD1 2.97Å; R592-D733 PolarHBondContact NH1-OD1 2.94Å; D729-D733 PolarHBondContact O-N 3.33Å; I730-D733 PolarHBondContact O-N 3.08Å; D733-A735 PolarHBondContact O-N 3.38Å; D733-S736 WeakPolarHBondContact O-CB 3.24Å; D733-S736 PolarHBondContact O-N 2.89Å; D733-S736 PolarHBondContact O-OG 2.76Å
734E92.1Very high90.6Very high95 Ų9527.4 Ų27.444%0.44415%0.152SC..Hα-helixtrans-63.5-40.8172-66.9-65.7156.300112L711 I730 S736 V737L711-E734 HydrophobicContact CD2-CB 4.39Å; I730-E734 HydrophobicContact CG2-CG 4.39Å; I730-E734 VanDerWaalsContact O-CG 3.3Å; I730-E734 WeakPolarHBondContact O-CG 3.29Å; I730-E734 PolarHBondContact O-N 2.97Å; E734-S736 PolarHBondContact O-N 2.7Å; E734-V737 WeakPolarHBondContact O-CB 3.3Å; E734-V737 PolarHBondContact O-N 3.28Å
735A92.6Very high90.3Very high0 Ų027.3 Ų27.30%015%0.152CC..Hα-helixtrans-63.8-25.917800000112.7V594 I618 L711 L731 S732 D733 V737 L738 P739V594-A735 HydrophobicContact CG1-CB 4.35Å; V594-A735 WeakPolarHBondContact CG1-O 3.17Å; V594-A735 HydrophobicContact CG2-CB 3.86Å; I618-A735 HydrophobicContact CD1-CB 3.69Å; L711-A735 HydrophobicContact CD1-CB 4.39Å; L711-A735 HydrophobicContact CD2-CB 3.93Å; L731-A735 VanDerWaalsContact O-CB 3.28Å; L731-A735 WeakPolarHBondContact O-CB 3.46Å; L731-A735 PolarHBondContact O-N 3.41Å; S732-A735 PolarHBondContact O-N 3.18Å; D733-A735 PolarHBondContact O-N 3.38Å; A735-V737 PolarHBondContact O-N 3.19Å; A735-L738 HydrophobicContact CB-CD1 4.43Å; A735-L738 VanDerWaalsContact O-CB 3.23Å; A735-L738 WeakPolarHBondContact O-CB 3.41Å; A735-L738 VanDerWaalsContact O-CG 3.23Å; A735-L738 WeakPolarHBondContact O-CG 3.41Å; A735-L738 PolarHBondContact O-N 2.83Å; A735-L738 VanDerWaalsContact O-N 3.11Å; A735-P739 WeakPolarHBondContact O-CD 3.16Å
736S87.7Confident90.3Very high1 Ų127.7 Ų27.71%0.00716%0.155CC..THydrogen-bonded Turntrans-66.9-20.1177.881.30000114.6S732 D733 E734 L738 P739 S741 L742S732-S736 PolarHBondContact O-N 2.93Å; S732-S736 VanDerWaalsContact O-N 3.15Å; D733-S736 WeakPolarHBondContact O-CB 3.24Å; D733-S736 PolarHBondContact O-N 2.89Å; D733-S736 PolarHBondContact O-OG 2.76Å; E734-S736 PolarHBondContact O-N 2.7Å; S736-L738 VanDerWaalsContact C-N 3.26Å; S736-L738 PolarHBondContact O-N 3.35Å; S736-P739 VanDerWaalsContact O-CD 3.24Å; S736-P739 WeakPolarHBondContact O-CD 3.34Å; S736-P739 VanDerWaalsContact O-CG 3.31Å; S736-P739 WeakPolarHBondContact O-CG 3.21Å; S736-S741 CarbonylContact O-C 3.51Å; S736-L742 VanDerWaalsContact CB-CD2 3.47Å; S736-L742 WeakPolarHBondContact OG-CD2 3.15Å; S736-L742 WeakPolarHBondContact OG-CG 3.39Å
737V88.5Confident90.2Very high62 Ų6225.2 Ų25.238%0.37614%0.142SC..THydrogen-bonded Turntrans-74.9-21.1175.5-176.60000110.8S604 P605 E734 A735 G740S604-V737 PolarHBondContact OG-O 3.22Å; P605-V737 HydrophobicContact CG-CG1 3.52Å; E734-V737 WeakPolarHBondContact O-CB 3.3Å; E734-V737 PolarHBondContact O-N 3.28Å; A735-V737 PolarHBondContact O-N 3.19Å; V737-G740 WeakPolarHBondContact O-CA 3.2Å; V737-G740 PolarHBondContact O-N 3.34Å
738L92.5Very high90.1Very high4 Ų424.1 Ų24.12%0.02114%0.137CC..THydrogen-bonded Turntrans-57.9-50.3179.3-58.4178.5000112.8V594 V596 S604 L606 L611 T614 L711 P715 A735 S736 G740V594-L738 HydrophobicContact CG1-CB 4.48Å; V594-L738 HydrophobicContact CG1-CD1 4.27Å; V596-L738 HydrophobicContact CG2-CB 4.08Å; S604-L738 VanDerWaalsContact CB-O 3.25Å; S604-L738 WeakPolarHBondContact CB-O 3.43Å; S604-L738 PolarHBondContact OG-O 2.86Å; L606-L738 HydrophobicContact CD1-CD2 3.7Å; L611-L738 HydrophobicContact CD2-CB 4.14Å; L611-L738 HydrophobicContact CD2-CD2 3.9Å; T614-L738 HydrophobicContact CG2-CD1 4.34Å; L711-L738 HydrophobicContact CD1-CD1 4.06Å; L711-L738 HydrophobicContact CG-CD1 4.38Å; P715-L738 HydrophobicContact CB-CD1 3.71Å; P715-L738 HydrophobicContact CG-CD1 4.27Å; P715-L738 HydrophobicContact CG-CD2 4.33Å; A735-L738 HydrophobicContact CB-CD1 4.43Å; A735-L738 VanDerWaalsContact O-CB 3.23Å; A735-L738 WeakPolarHBondContact O-CB 3.41Å; A735-L738 VanDerWaalsContact O-CG 3.23Å; A735-L738 WeakPolarHBondContact O-CG 3.41Å; A735-L738 PolarHBondContact O-N 2.83Å; A735-L738 VanDerWaalsContact O-N 3.11Å; S736-L738 VanDerWaalsContact C-N 3.26Å; S736-L738 PolarHBondContact O-N 3.35Å; L738-G740 PolarHBondContact O-N 2.63Å
739P88.3Confident90.1Very high1 Ų124.1 Ų24.11%0.00614%0.137CC..THydrogen-bonded Turntrans-73.6-4.5172.330.8-38.3000114.2V596 L600 A735 S736 V744 L745V596-P739 HydrophobicContact CG2-CB 4.42Å; L600-P739 WeakPolarHBondContact CB-O 3.36Å; A735-P739 WeakPolarHBondContact O-CD 3.16Å; S736-P739 VanDerWaalsContact O-CD 3.24Å; S736-P739 WeakPolarHBondContact O-CD 3.34Å; S736-P739 VanDerWaalsContact O-CG 3.31Å; S736-P739 WeakPolarHBondContact O-CG 3.21Å; P739-V744 HydrophobicContact CB-CG2 3.84Å; P739-V744 HydrophobicContact CG-CG2 3.83Å; P739-L745 HydrophobicContact CG-CD1 4.47Å; P739-L745 HydrophobicContact CG-CD2 4.11Å; P739-L745 HydrophobicContact CG-CG 4.25Å
740G84.9Confident90.2Very high24 Ų2424.6 Ų24.625%0.24714%0.138CC..THydrogen-bonded Turntrans92.3-4.9177.200000115.8V737 L738V737-G740 WeakPolarHBondContact O-CA 3.2Å; V737-G740 PolarHBondContact O-N 3.34Å; L738-G740 PolarHBondContact O-N 2.63Å
741S82.9Confident90.1Very high24 Ų2421.4 Ų21.417%0.16812%0.123CC..  trans-154135.9174.5179.60000112.2S736 G743 V744 L817S736-S741 CarbonylContact O-C 3.51Å; S741-G743 PolarHBondContact O-N 3.48Å; S741-G743 PolarHBondContact OG-N 3.46Å; S741-V744 VanDerWaalsContact O-CG2 3.29Å; S741-V744 WeakPolarHBondContact O-CG2 3.49Å; S741-V744 PolarHBondContact O-N 2.73Å; S741-L817 VanDerWaalsContact CB-CD2 3.49Å
742L79.6Confident89.4Confident78 Ų7827 Ų2741%0.40815%0.153SC..G310 helixtrans-57.6-30.4167.2-85.5160.1000112.1S736 V744 I761 H762S736-L742 VanDerWaalsContact CB-CD2 3.47Å; S736-L742 WeakPolarHBondContact OG-CD2 3.15Å; S736-L742 WeakPolarHBondContact OG-CG 3.39Å; L742-V744 PolarHBondContact O-N 2.77Å; L742-V744 VanDerWaalsContact O-N 3.15Å; L742-I761 HydrophobicContact CD2-CD1 3.79Å; L742-I761 HydrophobicContact CD2-CG1 4.28Å; L742-H762 HydrophobicContact CB-CB 4.12Å
743G82.5Confident88.9Confident7 Ų731 Ų317%0.07220%0.195CC..G310 helixtrans-65.3-13.5-174.800000115S741 N775 S778S741-G743 PolarHBondContact O-N 3.48Å; S741-G743 PolarHBondContact OG-N 3.46Å; G743-N775 PolarHBondContact O-ND2 3.11Å; G743-S778 WeakPolarHBondContact O-CB 3.29Å; G743-S778 PolarHBondContact O-N 2.97Å; G743-S778 PolarHBondContact O-OG 3.3Å; G743-S778 VanDerWaalsContact O-OG 3.11Å
744V89.2Confident88.8Confident8 Ų829.8 Ų29.85%0.04820%0.198CC..G310 helixtrans-103.9-0.2-172.6-57.80000114.5L600 P739 S741 L742 I777 L817L600-V744 HydrophobicContact CD1-CB 4.33Å; L600-V744 HydrophobicContact CD1-CG1 4.06Å; L600-V744 HydrophobicContact CD1-CG2 4.08Å; P739-V744 HydrophobicContact CB-CG2 3.84Å; P739-V744 HydrophobicContact CG-CG2 3.83Å; S741-V744 VanDerWaalsContact O-CG2 3.29Å; S741-V744 WeakPolarHBondContact O-CG2 3.49Å; S741-V744 PolarHBondContact O-N 2.73Å; L742-V744 PolarHBondContact O-N 2.77Å; L742-V744 VanDerWaalsContact O-N 3.15Å; V744-I777 HydrophobicContact CB-CG2 4.01Å; V744-I777 HydrophobicContact CG1-CB 4.33Å; V744-I777 HydrophobicContact CG1-CD1 4.1Å; V744-I777 HydrophobicContact CG1-CG2 4.29Å; V744-L817 HydrophobicContact CG1-CD1 4.35Å; V744-L817 HydrophobicContact CG1-CD2 4.35Å
745L90.5Very high88.8Confident6 Ų626 Ų263%0.03118%0.182CC..  trans-104.9127.3-175.5-66.8-169.6000112.9V594 P739 I761 S778V594-L745 HydrophobicContact CG1-CD1 4.31Å; V594-L745 HydrophobicContact CG2-CD1 3.96Å; P739-L745 HydrophobicContact CG-CD1 4.47Å; P739-L745 HydrophobicContact CG-CD2 4.11Å; P739-L745 HydrophobicContact CG-CG 4.25Å; L745-I761 HydrophobicContact CB-CD1 3.53Å; L745-I761 HydrophobicContact CB-CG1 3.86Å; L745-I761 HydrophobicContact CB-CG2 4.39Å; L745-I761 HydrophobicContact CD1-CD1 3.77Å; L745-I761 HydrophobicContact CG-CD1 4.16Å; L745-I761 PolarHBondContact O-N 2.99Å; L745-S778 WeakPolarHBondContact O-CB 3.32Å
746P93.7Very high89Confident10 Ų1026.8 Ų26.87%0.06519%0.187CC..EExtended strand (participates in β ladder)trans-86.4168.7171.938.8-38.6000111.5P593 L781 S782 M785P593-P746 HydrophobicContact CG-CG 4.04Å; P746-L781 HydrophobicContact CB-CB 3.77Å; P746-L781 HydrophobicContact CG-CB 3.72Å; P746-S782 WeakPolarHBondContact CB-OG 3.49Å; P746-M785 HydrophobicContact CB-CG 4.34Å; P746-M785 HydrophobicContact CB-SD 3.64Å; P746-M785 HydrophobicContact CG-CG 4.25Å; P746-M785 HydrophobicContact CG-SD 3.58Å; P746-M785 VanDerWaalsContact CG-SD 3.58Å
747S93.9Very high89.3Confident0 Ų026.8 Ų26.80%019%0.187CC..EExtended strand (participates in β ladder)trans-148.2157.3167.472.80000112.8I591 Y758 E759I591-S747 WeakPolarHBondContact O-CA 3.43Å; S747-Y758 WeakPolarHBondContact O-CA 3.39Å; S747-E759 PolarHBondContact N-O 3.16Å; S747-E759 PolarHBondContact O-N 3.28Å; S747-E759 VanDerWaalsContact OG-CG 3.28Å; S747-E759 WeakPolarHBondContact OG-CG 3.49Å; S747-E759 PolarHBondContact OG-O 2.86Å
748A95Very high89.7Confident0 Ų023.8 Ų23.80%017%0.169CC..EExtended strand (participates in β ladder)trans-129.6139.1172.900000110.5N590 I591 L757 Y758 M785N590-A748 CarbonylContact C-O 3.46Å; N590-A748 VanDerWaalsContact CA-O 3.32Å; N590-A748 WeakPolarHBondContact CA-O 3.39Å; N590-A748 PolarHBondContact ND2-O 3.01Å; I591-A748 PolarHBondContact N-O 2.99Å; I591-A748 PolarHBondContact O-N 2.8Å; A748-L757 CarbonylContact C-O 3.58Å; A748-L757 WeakPolarHBondContact CA-O 3.4Å; A748-Y758 HydrophobicContact CB-CD1 3.58Å; A748-Y758 HydrophobicContact CB-CE1 3.63Å; A748-M785 HydrophobicContact CB-CE 3.54Å
749S95.1Very high89.6Confident0 Ų024.2 Ų24.20%017%0.171CC..EExtended strand (participates in β ladder)trans-116.8115.3174.9-63.20000108.4L587 A589 N590 L622 S756 L757L587-S749 VanDerWaalsContact CD2-O 3.3Å; L587-S749 WeakPolarHBondContact CD2-O 3.49Å; A589-S749 CarbonylContact O-C 3.42Å; A589-S749 WeakPolarHBondContact O-CA 3.48Å; N590-S749 PolarHBondContact ND2-OG 3.13Å; L622-S749 WeakPolarHBondContact CD2-OG 3.39Å; S749-S756 WeakPolarHBondContact O-CA 3.44Å; S749-L757 PolarHBondContact N-O 2.92Å; S749-L757 PolarHBondContact O-N 3.44Å
750H94.9Very high89.6Confident42 Ų4224.5 Ų24.519%0.19417%0.173CC..EExtended strand (participates in β ladder)trans-101.5140.5-176.3-60.1-63.6000111.9L587 F588 A589 S756 Q789L587-H750 CarbonylContact C-O 3.46Å; L587-H750 WeakPolarHBondContact CA-O 3.4Å; F588-H750 PolarHBondContact N-O 3.09Å; A589-H750 HydrophobicContact CB-CB 4.49Å; A589-H750 PolarHBondContact N-O 2.97Å; A589-H750 PolarHBondContact O-N 3.28Å; H750-S756 WeakPolarHBondContact ND1-CB 3.38Å; H750-S756 PolarHBondContact ND1-OG 3.12Å; H750-Q789 PolarHBondContact CE1-OE1 2.87Å; H750-Q789 PolarHBondContact NE2-OE1 2.82Å; H750-Q789 VanDerWaalsContact NE2-OE1 3.17Å
751S91.2Very high89.6Confident15 Ų1524.1 Ų24.111%0.10517%0.165CC..EExtended strand (participates in β ladder)trans-96.2169.1172.660.80000111.8L585 N586 G753 G754 P755L585-S751 WeakPolarHBondContact O-CB 3.42Å; N586-S751 WeakPolarHBondContact O-CA 3.37Å; S751-G753 PolarHBondContact O-N 3.39Å; S751-G754 WeakPolarHBondContact OG-CA 3.37Å; S751-G754 PolarHBondContact OG-N 3.04Å; S751-G754 VanDerWaalsContact OG-N 3.09Å; S751-G754 PolarHBondContact OG-O 2.89Å; S751-P755 WeakPolarHBondContact CB-O 3.31Å; S751-P755 PolarHBondContact OG-O 2.76Å
752D82.5Confident89.2Confident121 Ų12124.2 Ų24.265%0.64716%0.162SC*.SBendtrans-86.590.5170.7-169.117.2000110F588 G754F588-D752 HydrophobicContact CD1-CB 4.28Å; F588-D752 HydrophobicContact CE1-CB 4.03Å; D752-G754 PolarHBondContact O-N 3.18Å
753G81Confident88.7Confident86 Ų8622.8 Ų22.889%0.88717%0.167SC*.SBendtrans80.67.817600000116.4S751S751-G753 PolarHBondContact O-N 3.39Å
754G87.1Confident88Confident42 Ų4223 Ų2343%0.43317%0.167SC..SBendtrans-110.5-163.4174.200000113S751 D752S751-G754 WeakPolarHBondContact OG-CA 3.37Å; S751-G754 PolarHBondContact OG-N 3.04Å; S751-G754 VanDerWaalsContact OG-N 3.09Å; S751-G754 PolarHBondContact OG-O 2.89Å; D752-G754 PolarHBondContact O-N 3.18Å
755P92Very high87.4Confident16 Ų1623.9 Ų23.910%0.10418%0.175CC..  trans-67.6157.2175.822.3-26.2000112.3C551 A554 I557 L585 L587 S751C551-P755 WeakPolarHBondContact O-CG 3.36Å; A554-P755 WeakPolarHBondContact O-CB 3.46Å; I557-P755 HydrophobicContact CD1-CB 4.23Å; I557-P755 HydrophobicContact CD1-CG 4.25Å; L585-P755 HydrophobicContact CD2-CG 4.24Å; L587-P755 WeakPolarHBondContact CD2-O 3.35Å; S751-P755 WeakPolarHBondContact CB-O 3.31Å; S751-P755 PolarHBondContact OG-O 2.76Å
756S95.5Very high86.1Confident16 Ų1627 Ų2711%0.11220%0.196CC..EExtended strand (participates in β ladder)trans-104.4147.6170.3-60.50000110.3I557 S749 H750I557-S756 PolarHBondContact N-O 2.64Å; S749-S756 WeakPolarHBondContact O-CA 3.44Å; H750-S756 WeakPolarHBondContact ND1-CB 3.38Å; H750-S756 PolarHBondContact ND1-OG 3.12Å
757L95.3Very high84.7Confident0 Ų031.1 Ų31.10%022%0.218CC..EExtended strand (participates in β ladder)trans-110.5131.7178.5179.9154.9000109.9I557 L559 L581 L587 A748 S749 E759I557-L757 HydrophobicContact CB-CB 4.27Å; I557-L757 HydrophobicContact CB-CG 4.36Å; I557-L757 HydrophobicContact CG2-CD1 4.15Å; I557-L757 HydrophobicContact CG2-CG 4.16Å; I557-L757 CarbonylContact O-C 3.57Å; I557-L757 WeakPolarHBondContact O-CA 3.19Å; L559-L757 HydrophobicContact CB-CD1 4.4Å; L559-L757 HydrophobicContact CB-CD2 4.18Å; L559-L757 HydrophobicContact CB-CG 4.27Å; L559-L757 HydrophobicContact CD2-CD1 4.08Å; L559-L757 HydrophobicContact CD2-CD2 4.22Å; L581-L757 HydrophobicContact CD2-CD1 3.73Å; L587-L757 HydrophobicContact CD1-CB 3.76Å; L587-L757 HydrophobicContact CD1-CD1 4.07Å; L587-L757 HydrophobicContact CD1-CG 4.5Å; A748-L757 CarbonylContact C-O 3.58Å; A748-L757 WeakPolarHBondContact CA-O 3.4Å; S749-L757 PolarHBondContact N-O 2.92Å; S749-L757 PolarHBondContact O-N 3.44Å; L757-E759 HydrophobicContact CD2-CB 3.85Å; L757-E759 VanDerWaalsContact CD2-CD 3.49Å; L757-E759 HydrophobicContact CD2-CG 3.76Å
758Y95.8Very high83.6Confident0 Ų032.5 Ų32.50%022%0.224CC..EExtended strand (participates in β ladder)trans-119.3126.1-179.3-54.4-91.9000109.6A556 I557 L559 S747 A748 M785 M786 Q789 S790A556-Y758 HydrophobicContact CB-CD2 4.45Å; A556-Y758 HydrophobicContact CB-CE2 4.02Å; I557-Y758 PolarHBondContact O-N 2.92Å; L559-Y758 PolarHBondContact N-O 3.47Å; S747-Y758 WeakPolarHBondContact O-CA 3.39Å; A748-Y758 HydrophobicContact CB-CD1 3.58Å; A748-Y758 HydrophobicContact CB-CE1 3.63Å; Y758-M785 HydrophobicContact CD1-CB 3.83Å; Y758-M785 HydrophobicContact CE1-CB 4.1Å; Y758-M786 HydrophobicContact CD1-CB 4.03Å; Y758-M786 HydrophobicContact CD2-CB 3.61Å; Y758-M786 HydrophobicContact CD2-CG 3.64Å; Y758-M786 HydrophobicContact CD2-SD 4.44Å; Y758-M786 VanDerWaalsContact CE1-CA 3.46Å; Y758-M786 HydrophobicContact CE1-CB 4.18Å; Y758-M786 HydrophobicContact CE2-CB 3.78Å; Y758-M786 HydrophobicContact CE2-CG 3.6Å; Y758-M786 HydrophobicContact CG-CB 3.75Å; Y758-M786 HydrophobicContact CG-CG 4.3Å; Y758-M786 VanDerWaalsContact CZ-CA 3.48Å; Y758-Q789 HydrophobicContact CE1-CB 4.24Å; Y758-Q789 WeakPolarHBondContact OH-CB 3.05Å; Y758-S790 PolarHBondContact OH-N 2.97Å; Y758-S790 PolarHBondContact OH-OG 3.34Å
759E91.1Very high82.3Confident12 Ų1232.9 Ų32.96%0.05623%0.228CC..EExtended strand (participates in β ladder)trans-148.8148.3-170.566.2-174.115300111.6L559 R582 S747 L757 S782L559-E759 HydrophobicContact CB-CB 4.12Å; L559-E759 WeakPolarHBondContact CD2-OE2 3.2Å; L559-E759 HydrophobicContact CG-CB 4.46Å; L559-E759 WeakPolarHBondContact O-CA 3.48Å; R582-E759 IonicContact CZ-OE1 3.98Å; R582-E759 IonicContact NH2-OE1 3.9Å; R582-E759 PolarHBondContact NH2-OE1 2.9Å; R582-E759 IonicContact NH2-OE2 2.68Å; S747-E759 PolarHBondContact N-O 3.16Å; S747-E759 PolarHBondContact O-N 3.28Å; S747-E759 VanDerWaalsContact OG-CG 3.28Å; S747-E759 WeakPolarHBondContact OG-CG 3.49Å; S747-E759 PolarHBondContact OG-O 2.86Å; L757-E759 HydrophobicContact CD2-CB 3.85Å; L757-E759 VanDerWaalsContact CD2-CD 3.49Å; L757-E759 HydrophobicContact CD2-CG 3.76Å; E759-S782 VanDerWaalsContact C-OG 3.28Å; E759-S782 PolarHBondContact O-OG 2.86Å
760P88.5Confident80.7Confident7 Ų735.3 Ų35.35%0.04525%0.252CS..EExtended strand (participates in β ladder)trans-63.8150.516731.9-35.1000110I505 L559 A561 H762 S778I505-P760 HydrophobicContact CD1-CG 4.14Å; L559-P760 WeakPolarHBondContact O-CD 3.36Å; A561-P760 HydrophobicContact CB-CG 4.3Å; P760-H762 VanDerWaalsContact C-N 3.31Å; P760-H762 PolarHBondContact O-N 3.45Å; P760-S778 WeakPolarHBondContact CB-OG 3.4Å
761I84.4Confident79.7Confident17 Ų1736.3 Ų36.39%0.08726%0.256CS..SBendtrans-76.2-18.3-178.765.1164.6000114.1R592 L742 L745R592-I761 HydrophobicContact CG-CG2 4.06Å; L742-I761 HydrophobicContact CD2-CD1 3.79Å; L742-I761 HydrophobicContact CD2-CG1 4.28Å; L745-I761 HydrophobicContact CB-CD1 3.53Å; L745-I761 HydrophobicContact CB-CG1 3.86Å; L745-I761 HydrophobicContact CB-CG2 4.39Å; L745-I761 HydrophobicContact CD1-CD1 3.77Å; L745-I761 HydrophobicContact CG-CD1 4.16Å; L745-I761 PolarHBondContact O-N 2.99Å
762H74.8Confident79.1Confident25 Ų2536.6 Ų36.612%0.11626%0.262CS..SBendtrans-92.4160.6-170.564.575.5000113L742 P760 S778L742-H762 HydrophobicContact CB-CB 4.12Å; P760-H762 VanDerWaalsContact C-N 3.31Å; P760-H762 PolarHBondContact O-N 3.45Å; H762-S778 PolarHBondContact CD2-OG 2.85Å; H762-S778 PolarHBondContact NE2-OG 2.86Å
763G68.8Low79.4Confident48 Ų4832 Ų3250%0.49524%0.237SC..  trans-73.8-174.2174.100000113.7A561 A765A561-G763 WeakPolarHBondContact CB-O 3.28Å; G763-A765 VanDerWaalsContact C-N 3.26Å; G763-A765 PolarHBondContact O-N 3.3Å
764S68.5Low79.7Confident13 Ų1327.9 Ų27.99%0.09120%0.195CC..  trans-74.1-0.9-171.458.80000117I501 G563I501-S764 WeakPolarHBondContact CG1-O 3.48Å; I501-S764 PolarHBondContact N-O 3.07Å; G563-S764 WeakPolarHBondContact O-CB 3.39Å; G563-S764 PolarHBondContact O-OG 3.46Å
765A75.8Confident79.9Confident26 Ų2626 Ų2622%0.21518%0.175CC..  trans36.961.3179.400000113.3I501 G763 D767 I768 A769I501-A765 HydrophobicContact CD1-CB 3.73Å; I501-A765 HydrophobicContact CG1-CB 3.99Å; I501-A765 HydrophobicContact CG2-CB 4.18Å; G763-A765 VanDerWaalsContact C-N 3.26Å; G763-A765 PolarHBondContact O-N 3.3Å; A765-D767 VanDerWaalsContact C-OD1 3.31Å; A765-D767 PolarHBondContact O-N 3.45Å; A765-I768 HydrophobicContact CB-CD1 4.17Å; A765-I768 HydrophobicContact CB-CG1 3.82Å; A765-I768 PolarHBondContact O-N 3.41Å; A765-I768 VanDerWaalsContact O-N 3.13Å; A765-A769 PolarHBondContact O-N 3.2Å
766P63.8Low80Confident72 Ų7225.2 Ų25.247%0.46817%0.17SC..THydrogen-bonded Turntrans-62.9-16-168.826.9-36.4000113.8P565 A769P565-P766 HydrophobicContact CG-CG 4.38Å; P766-A769 VanDerWaalsContact O-CB 3.32Å; P766-A769 WeakPolarHBondContact O-CB 3.26Å
767D64.5Low79.9Confident96 Ų9624.6 Ų24.651%0.51317%0.165SC..THydrogen-bonded Turntrans-77.6-24.1179.359.3-54.6000114A765 K771A765-D767 VanDerWaalsContact C-OD1 3.31Å; A765-D767 PolarHBondContact O-N 3.45Å; D767-K771 VanDerWaalsContact O-CE 3.28Å; D767-K771 WeakPolarHBondContact O-CE 3.26Å; D767-K771 PolarHBondContact O-NZ 2.73Å
768I70.1Confident79.8Confident28 Ų2824.6 Ų24.614%0.14417%0.165CC..THydrogen-bonded Turntrans-116.7-5178.558163.8000114.2I501 A765 G770 K771 I773 A774 D816I501-I768 HydrophobicContact CG2-CD1 4.25Å; I501-I768 HydrophobicContact CG2-CG1 3.78Å; A765-I768 HydrophobicContact CB-CD1 4.17Å; A765-I768 HydrophobicContact CB-CG1 3.82Å; A765-I768 PolarHBondContact O-N 3.41Å; A765-I768 VanDerWaalsContact O-N 3.13Å; I768-G770 PolarHBondContact O-N 2.9Å; I768-K771 WeakPolarHBondContact O-CB 3.35Å; I768-K771 PolarHBondContact O-N 2.84Å; I768-I773 HydrophobicContact CB-CD1 4.18Å; I768-I773 HydrophobicContact CB-CG1 4.05Å; I768-I773 HydrophobicContact CG2-CD1 3.98Å; I768-I773 HydrophobicContact CG2-CG1 4.32Å; I768-A774 HydrophobicContact CD1-CB 3.92Å; I768-D816 HydrophobicContact CD1-CB 3.99Å
769A66.9Low79.7Confident9 Ų924.6 Ų24.67%0.07417%0.165CC..THydrogen-bonded Turntrans-32.8123163.800000115.6D499 I501 A765 P766 K771D499-A769 CarbonylContact O-C 3.49Å; D499-A769 VanDerWaalsContact O-CB 3.24Å; D499-A769 WeakPolarHBondContact O-CB 3.25Å; I501-A769 HydrophobicContact CG2-CB 4.48Å; A765-A769 PolarHBondContact O-N 3.2Å; P766-A769 VanDerWaalsContact O-CB 3.32Å; P766-A769 WeakPolarHBondContact O-CB 3.26Å; A769-K771 PolarHBondContact O-N 3.14Å; A769-K771 VanDerWaalsContact O-N 3.1Å
770G63.2Low80Confident50 Ų5024 Ų2452%0.51516%0.162SC..THydrogen-bonded Turntrans69.14.3173.300000115.6D499 E504 I768D499-G770 PolarHBondContact O-N 3.14Å; E504-G770 PolarHBondContact OE2-N 2.95Å; I768-G770 PolarHBondContact O-N 2.9Å
771K72.4Confident80.3Confident63 Ų6325.1 Ų25.127%0.27417%0.168SC..THydrogen-bonded Turntrans-87.8-8.8-179.2-62.9-177.9-175.2173.20112.8D767 I768 A769 I773D767-K771 VanDerWaalsContact O-CE 3.28Å; D767-K771 WeakPolarHBondContact O-CE 3.26Å; D767-K771 PolarHBondContact O-NZ 2.73Å; I768-K771 WeakPolarHBondContact O-CB 3.35Å; I768-K771 PolarHBondContact O-N 2.84Å; A769-K771 PolarHBondContact O-N 3.14Å; A769-K771 VanDerWaalsContact O-N 3.1Å; K771-I773 VanDerWaalsContact C-N 3.26Å; K771-I773 HydrophobicContact CB-CD1 3.88Å; K771-I773 HydrophobicContact CB-CG1 3.84Å; K771-I773 HydrophobicContact CB-CG2 4.42Å; K771-I773 HydrophobicContact CD-CD1 3.95Å; K771-I773 PolarHBondContact O-N 3.5Å
772G79.9Confident80.9Confident22 Ų2224.3 Ų24.323%0.22716%0.164CC..THydrogen-bonded Turntrans68.827-177.700000112.9E504 T822 T823E504-G772 VanDerWaalsContact OE1-CA 3.31Å; E504-G772 WeakPolarHBondContact OE1-CA 3.32Å; E504-G772 PolarHBondContact OE2-N 3.28Å; G772-T822 CarbonylContact O-C 3.58Å; G772-T822 WeakPolarHBondContact O-CA 3.44Å; G772-T822 WeakPolarHBondContact O-CB 3.48Å; G772-T823 PolarHBondContact O-N 3.02Å; G772-T823 PolarHBondContact O-OG1 2.85Å
773I88.6Confident81.9Confident23 Ų2323.1 Ų23.112%0.11816%0.158CC..  trans-123.51.3-176.170-177.8000113.7E504 I768 K771 H815 T823E504-I773 PolarHBondContact OE1-N 3.46Å; I768-I773 HydrophobicContact CB-CD1 4.18Å; I768-I773 HydrophobicContact CB-CG1 4.05Å; I768-I773 HydrophobicContact CG2-CD1 3.98Å; I768-I773 HydrophobicContact CG2-CG1 4.32Å; K771-I773 VanDerWaalsContact C-N 3.26Å; K771-I773 HydrophobicContact CB-CD1 3.88Å; K771-I773 HydrophobicContact CB-CG1 3.84Å; K771-I773 HydrophobicContact CB-CG2 4.42Å; K771-I773 HydrophobicContact CD-CD1 3.95Å; K771-I773 PolarHBondContact O-N 3.5Å; I773-H815 HydrophobicContact CB-CB 3.95Å; I773-H815 HydrophobicContact CG2-CB 4.37Å; I773-T823 PolarHBondContact N-OG1 3.38Å
774A85.7Confident83.2Confident0 Ų020.9 Ų20.90%014%0.135CC..SBendtrans-80.5134.2-179.900000111.6I501 E504 I505 I768 P776 T823I501-A774 HydrophobicContact CB-CB 3.92Å; I501-A774 HydrophobicContact CD1-CB 4.11Å; I501-A774 HydrophobicContact CG2-CB 3.6Å; E504-A774 WeakPolarHBondContact OE1-CB 3.44Å; E504-A774 PolarHBondContact OE1-N 2.94Å; I505-A774 HydrophobicContact CG2-CB 4.31Å; I768-A774 HydrophobicContact CD1-CB 3.92Å; A774-P776 WeakPolarHBondContact O-CD 3.29Å; A774-T823 PolarHBondContact N-OG1 3.34Å; A774-T823 WeakPolarHBondContact O-CB 3.47Å; A774-T823 WeakPolarHBondContact O-CG2 3.33Å; A774-T823 PolarHBondContact O-OG1 3.23Å
775N92Very high84.5Confident2 Ų220.5 Ų20.51%0.01113%0.132CC..  trans-64.7122.6174.1163.962.2000111.5G743 I777 T814 D816 L817G743-N775 PolarHBondContact O-ND2 3.11Å; N775-I777 WeakPolarHBondContact OD1-CB 3.31Å; N775-I777 WeakPolarHBondContact OD1-CD1 3.31Å; N775-I777 WeakPolarHBondContact OD1-CG1 3.3Å; N775-I777 PolarHBondContact OD1-N 3.22Å; N775-T814 WeakPolarHBondContact CA-OG1 3.19Å; N775-T814 VanDerWaalsContact CB-OG1 3.26Å; N775-T814 WeakPolarHBondContact CB-OG1 3.25Å; N775-D816 VanDerWaalsContact CB-OD1 3.25Å; N775-D816 WeakPolarHBondContact CB-OD1 3.22Å; N775-D816 WeakPolarHBondContact CB-OD2 3.3Å; N775-D816 PolarHBondContact N-OD1 3.4Å; N775-D816 PolarHBondContact N-OD2 3.5Å; N775-L817 HydrophobicContact CB-CD1 4Å; N775-L817 HydrophobicContact CB-CG 4.04Å
776P93.3Very high85.5Confident0 Ų019.7 Ų19.70%012%0.123CC..  trans-89.50.8-18034.8-33.1000114.2I505 S508 A774 S778 M779 I780 T823 F826I505-P776 HydrophobicContact CB-CB 4.37Å; I505-P776 HydrophobicContact CG2-CB 4.33Å; S508-P776 VanDerWaalsContact CB-CB 3.43Å; A774-P776 WeakPolarHBondContact O-CD 3.29Å; P776-S778 PolarHBondContact O-N 3Å; P776-M779 PolarHBondContact O-N 2.86Å; P776-M779 VanDerWaalsContact O-N 3.17Å; P776-I780 HydrophobicContact CB-CD1 4.01Å; P776-I780 HydrophobicContact CB-CG1 4.45Å; P776-I780 HydrophobicContact CG-CD1 3.9Å; P776-I780 WeakPolarHBondContact O-CG1 3.26Å; P776-I780 PolarHBondContact O-N 3.4Å; P776-T823 HydrophobicContact CB-CG2 4.06Å; P776-T823 HydrophobicContact CG-CG2 3.99Å; P776-F826 HydrophobicContact CG-CD1 3.82Å
777I94.6Very high87.1Confident3 Ų316.2 Ų16.22%0.01510%0.101CC..Hα-helixtrans-54.9-46.8-170.8-72.4167.2000112.8V744 N775 M779 I780 L781 L808 L817 F826V744-I777 HydrophobicContact CB-CG2 4.01Å; V744-I777 HydrophobicContact CG1-CB 4.33Å; V744-I777 HydrophobicContact CG1-CD1 4.1Å; V744-I777 HydrophobicContact CG1-CG2 4.29Å; N775-I777 WeakPolarHBondContact OD1-CB 3.31Å; N775-I777 WeakPolarHBondContact OD1-CD1 3.31Å; N775-I777 WeakPolarHBondContact OD1-CG1 3.3Å; N775-I777 PolarHBondContact OD1-N 3.22Å; I777-M779 VanDerWaalsContact C-N 3.28Å; I777-M779 PolarHBondContact O-N 2.95Å; I777-I780 PolarHBondContact O-N 3.06Å; I777-L781 HydrophobicContact CG2-CD1 3.54Å; I777-L781 HydrophobicContact CG2-CG 3.86Å; I777-L781 WeakPolarHBondContact O-CB 3.4Å; I777-L781 WeakPolarHBondContact O-CG 3.49Å; I777-L781 PolarHBondContact O-N 3.06Å; I777-L808 HydrophobicContact CD1-CD1 3.74Å; I777-L808 HydrophobicContact CD1-CD2 3.84Å; I777-L808 HydrophobicContact CD1-CG 4.02Å; I777-L817 HydrophobicContact CD1-CD1 4.36Å; I777-F826 HydrophobicContact CD1-CE1 4.07Å; I777-F826 HydrophobicContact CD1-CE2 4.18Å; I777-F826 HydrophobicContact CD1-CZ 3.54Å; I777-F826 HydrophobicContact CG1-CE1 3.54Å; I777-F826 HydrophobicContact CG1-CZ 3.56Å
778S93Very high88.5Confident0 Ų015 Ų150%09%0.089CC..Hα-helixtrans-54.9-44.3-179.452.30000112G743 L745 P760 H762 P776 S782G743-S778 WeakPolarHBondContact O-CB 3.29Å; G743-S778 PolarHBondContact O-N 2.97Å; G743-S778 PolarHBondContact O-OG 3.3Å; G743-S778 VanDerWaalsContact O-OG 3.11Å; L745-S778 WeakPolarHBondContact O-CB 3.32Å; P760-S778 WeakPolarHBondContact CB-OG 3.4Å; H762-S778 PolarHBondContact CD2-OG 2.85Å; H762-S778 PolarHBondContact NE2-OG 2.86Å; P776-S778 PolarHBondContact O-N 3Å; S778-S782 WeakPolarHBondContact O-CB 3.48Å; S778-S782 PolarHBondContact O-N 3.46Å; S778-S782 PolarHBondContact O-OG 2.97Å
779M94.3Very high89.6Confident0 Ų017.2 Ų17.20%010%0.099CC..Hα-helixtrans-70.1-41.7179-169.564-12600111.7I505 M506 L558 P776 I777 L781 S782 V783I505-M779 HydrophobicContact CB-CB 4.07Å; I505-M779 HydrophobicContact CD1-CB 4.3Å; I505-M779 HydrophobicContact CG1-CB 4.06Å; I505-M779 HydrophobicContact CG1-CG 4.36Å; I505-M779 WeakPolarHBondContact O-CG 3.32Å; M506-M779 HydrophobicContact CE-CE 3.76Å; M506-M779 HydrophobicContact CE-SD 3.79Å; M506-M779 HydrophobicContact SD-CE 3.93Å; M506-M779 HydrophobicContact SD-SD 4.26Å; L558-M779 HydrophobicContact CB-CE 4.14Å; L558-M779 HydrophobicContact CD1-CE 4.34Å; L558-M779 HydrophobicContact CD2-CE 3.87Å; L558-M779 HydrophobicContact CG-CE 4.34Å; P776-M779 PolarHBondContact O-N 2.86Å; P776-M779 VanDerWaalsContact O-N 3.17Å; I777-M779 VanDerWaalsContact C-N 3.28Å; I777-M779 PolarHBondContact O-N 2.95Å; M779-L781 VanDerWaalsContact C-N 3.34Å; M779-L781 PolarHBondContact O-N 2.98Å; M779-S782 WeakPolarHBondContact O-CB 3.27Å; M779-S782 PolarHBondContact O-N 3.34Å; M779-V783 HydrophobicContact CE-CG2 4.32Å; M779-V783 PolarHBondContact O-N 3.49Å; M779-V783 VanDerWaalsContact O-N 3.09Å
780I96.8Very high90.8Very high0 Ų018.5 Ų18.50%011%0.107CC..Hα-helixtrans-61.4-42.7175.6-67.9169.1000111V512 P776 I777 S782 V783 A784 I800V512-I780 HydrophobicContact CB-CG2 4.44Å; V512-I780 HydrophobicContact CG1-CG2 4.06Å; V512-I780 HydrophobicContact CG2-CD1 4.04Å; V512-I780 HydrophobicContact CG2-CG1 4.03Å; V512-I780 HydrophobicContact CG2-CG2 4.26Å; P776-I780 HydrophobicContact CB-CD1 4.01Å; P776-I780 HydrophobicContact CB-CG1 4.45Å; P776-I780 HydrophobicContact CG-CD1 3.9Å; P776-I780 WeakPolarHBondContact O-CG1 3.26Å; P776-I780 PolarHBondContact O-N 3.4Å; I777-I780 PolarHBondContact O-N 3.06Å; I780-S782 VanDerWaalsContact C-N 3.34Å; I780-V783 WeakPolarHBondContact O-CB 3.36Å; I780-V783 PolarHBondContact O-N 3.2Å; I780-A784 PolarHBondContact O-N 3.27Å; I780-A784 VanDerWaalsContact O-N 3.13Å; I780-I800 HydrophobicContact CG2-CG2 3.37Å
781L95.8Very high92.3Very high31 Ų3117.4 Ų17.416%0.1629%0.089CC..Hα-helixtrans-72.8-27.3177.5-64.8-177.4000112.4P746 I777 M779 V783 A784 M785 E801P746-L781 HydrophobicContact CB-CB 3.77Å; P746-L781 HydrophobicContact CG-CB 3.72Å; I777-L781 HydrophobicContact CG2-CD1 3.54Å; I777-L781 HydrophobicContact CG2-CG 3.86Å; I777-L781 WeakPolarHBondContact O-CB 3.4Å; I777-L781 WeakPolarHBondContact O-CG 3.49Å; I777-L781 PolarHBondContact O-N 3.06Å; M779-L781 VanDerWaalsContact C-N 3.34Å; M779-L781 PolarHBondContact O-N 2.98Å; L781-V783 VanDerWaalsContact C-N 3.31Å; L781-A784 WeakPolarHBondContact O-CB 3.46Å; L781-A784 PolarHBondContact O-N 3.07Å; L781-M785 PolarHBondContact O-N 3.04Å; L781-E801 HydrophobicContact CD2-CG 4.03Å
782S95.6Very high93.3Very high0 Ų022.6 Ų22.60%011%0.114CC..Hα-helixtrans-64.5-36.5169.4-69.70000111.6P746 E759 S778 M779 I780 M785 M786P746-S782 WeakPolarHBondContact CB-OG 3.49Å; E759-S782 VanDerWaalsContact C-OG 3.28Å; E759-S782 PolarHBondContact O-OG 2.86Å; S778-S782 WeakPolarHBondContact O-CB 3.48Å; S778-S782 PolarHBondContact O-N 3.46Å; S778-S782 PolarHBondContact O-OG 2.97Å; M779-S782 WeakPolarHBondContact O-CB 3.27Å; M779-S782 PolarHBondContact O-N 3.34Å; I780-S782 VanDerWaalsContact C-N 3.34Å; S782-M785 PolarHBondContact O-N 3.34Å; S782-M786 WeakPolarHBondContact O-CB 3.29Å; S782-M786 PolarHBondContact O-N 3.17Å
783V96.6Very high94.1Very high0 Ų022.2 Ų22.20%011%0.106CC..Hα-helixtrans-62.9-42.8169.8173.70000111.1L513 L558 M779 I780 L781 M785 M786 L787 I800L513-V783 HydrophobicContact CB-CG1 3.97Å; L513-V783 HydrophobicContact CD1-CG1 3.93Å; L513-V783 HydrophobicContact CG-CG1 4.42Å; L558-V783 HydrophobicContact CD1-CG2 4.1Å; L558-V783 HydrophobicContact CD2-CG2 4.34Å; M779-V783 HydrophobicContact CE-CG2 4.32Å; M779-V783 PolarHBondContact O-N 3.49Å; M779-V783 VanDerWaalsContact O-N 3.09Å; I780-V783 WeakPolarHBondContact O-CB 3.36Å; I780-V783 PolarHBondContact O-N 3.2Å; L781-V783 VanDerWaalsContact C-N 3.31Å; V783-M785 PolarHBondContact O-N 3.44Å; V783-M786 HydrophobicContact CG1-CE 4.5Å; V783-M786 WeakPolarHBondContact O-CB 3.24Å; V783-M786 PolarHBondContact O-N 2.92Å; V783-L787 HydrophobicContact CG1-CD1 4.17Å; V783-L787 HydrophobicContact CG1-CG 4.44Å; V783-L787 WeakPolarHBondContact O-CG 3.33Å; V783-L787 PolarHBondContact O-N 3.35Å; V783-I800 HydrophobicContact CG1-CD1 4.19Å
784A96.6Very high94.3Very high0 Ų025.3 Ų25.30%012%0.12CC..Hα-helixtrans-60.8-43.5175.400000112I780 L781 M786 L787 R788 A797 I800 E801I780-A784 PolarHBondContact O-N 3.27Å; I780-A784 VanDerWaalsContact O-N 3.13Å; L781-A784 WeakPolarHBondContact O-CB 3.46Å; L781-A784 PolarHBondContact O-N 3.07Å; A784-M786 VanDerWaalsContact C-N 3.34Å; A784-M786 PolarHBondContact O-N 2.79Å; A784-L787 PolarHBondContact O-N 2.98Å; A784-R788 WeakPolarHBondContact O-CB 3.48Å; A784-R788 PolarHBondContact O-N 3.49Å; A784-A797 HydrophobicContact CB-CB 4.29Å; A784-A797 WeakPolarHBondContact O-CB 3.45Å; A784-I800 HydrophobicContact CB-CB 4.07Å; A784-I800 HydrophobicContact CB-CD1 4.22Å; A784-I800 HydrophobicContact CB-CG2 4.04Å; A784-E801 HydrophobicContact CB-CG 4.24Å
785M95.4Very high94.7Very high6 Ų633.7 Ų33.73%0.0316%0.159CC..Hα-helixtrans-60.4-43174-72.6-172.874.200111.9P593 P746 A748 Y758 L781 S782 V783 R788 Q789P593-M785 HydrophobicContact CG-CE 4.16Å; P593-M785 HydrophobicContact CG-SD 3.91Å; P746-M785 HydrophobicContact CB-CG 4.34Å; P746-M785 HydrophobicContact CB-SD 3.64Å; P746-M785 HydrophobicContact CG-CG 4.25Å; P746-M785 HydrophobicContact CG-SD 3.58Å; P746-M785 VanDerWaalsContact CG-SD 3.58Å; A748-M785 HydrophobicContact CB-CE 3.54Å; Y758-M785 HydrophobicContact CD1-CB 3.83Å; Y758-M785 HydrophobicContact CE1-CB 4.1Å; L781-M785 PolarHBondContact O-N 3.04Å; S782-M785 PolarHBondContact O-N 3.34Å; V783-M785 PolarHBondContact O-N 3.44Å; M785-R788 PolarHBondContact O-N 3.19Å; M785-Q789 VanDerWaalsContact O-CB 3.31Å; M785-Q789 WeakPolarHBondContact O-CB 3.38Å; M785-Q789 WeakPolarHBondContact O-CG 3.33Å; M785-Q789 PolarHBondContact O-N 3.42Å
786M96.5Very high94.9Very high8 Ų833.8 Ų33.84%0.03916%0.16CC..Hα-helixtrans-58.9-50.9177-176.3-172.667.600112.1L513 A556 L558 Y758 S782 V783 A784 R788 Q789 S790 F791L513-M786 HydrophobicContact CD1-CE 4.32Å; L513-M786 HydrophobicContact CD2-CE 4.13Å; A556-M786 HydrophobicContact CB-CG 3.71Å; A556-M786 HydrophobicContact CB-SD 3.73Å; L558-M786 HydrophobicContact CD1-CE 4.21Å; L558-M786 HydrophobicContact CD1-SD 4.22Å; L558-M786 HydrophobicContact CD2-CB 4.34Å; L558-M786 HydrophobicContact CD2-CE 4.27Å; L558-M786 HydrophobicContact CD2-SD 3.61Å; L558-M786 HydrophobicContact CG-CE 4.38Å; L558-M786 HydrophobicContact CG-SD 3.75Å; Y758-M786 HydrophobicContact CD1-CB 4.03Å; Y758-M786 HydrophobicContact CD2-CB 3.61Å; Y758-M786 HydrophobicContact CD2-CG 3.64Å; Y758-M786 HydrophobicContact CD2-SD 4.44Å; Y758-M786 VanDerWaalsContact CE1-CA 3.46Å; Y758-M786 HydrophobicContact CE1-CB 4.18Å; Y758-M786 HydrophobicContact CE2-CB 3.78Å; Y758-M786 HydrophobicContact CE2-CG 3.6Å; Y758-M786 HydrophobicContact CG-CB 3.75Å; Y758-M786 HydrophobicContact CG-CG 4.3Å; Y758-M786 VanDerWaalsContact CZ-CA 3.48Å; S782-M786 WeakPolarHBondContact O-CB 3.29Å; S782-M786 PolarHBondContact O-N 3.17Å; V783-M786 HydrophobicContact CG1-CE 4.5Å; V783-M786 WeakPolarHBondContact O-CB 3.24Å; V783-M786 PolarHBondContact O-N 2.92Å; A784-M786 VanDerWaalsContact C-N 3.34Å; A784-M786 PolarHBondContact O-N 2.79Å; M786-R788 VanDerWaalsContact C-N 3.32Å; M786-R788 PolarHBondContact O-N 3.33Å; M786-Q789 PolarHBondContact O-N 2.71Å; M786-S790 WeakPolarHBondContact O-CB 3.33Å; M786-S790 PolarHBondContact O-N 3.48Å; M786-F791 HydrophobicContact CE-CE2 4.1Å; M786-F791 HydrophobicContact CG-CD2 4.09Å; M786-F791 HydrophobicContact CG-CE2 3.71Å; M786-F791 HydrophobicContact SD-CE2 3.93Å
787L96.6Very high95Very high0 Ų033.8 Ų33.80%016%0.16CC..Hα-helixtrans-57.2-45.6177.7-72.9174.7000111.5L513 I516 F524 V783 A784 F791 Q792 E793 A796 A797 I800L513-L787 HydrophobicContact CD1-CD1 4.4Å; L513-L787 HydrophobicContact CD1-CD2 4.05Å; L513-L787 HydrophobicContact CD1-CG 4.45Å; I516-L787 HydrophobicContact CG2-CD1 3.88Å; F524-L787 HydrophobicContact CE1-CD2 4.09Å; F524-L787 HydrophobicContact CE2-CD2 3.92Å; F524-L787 HydrophobicContact CZ-CD2 3.35Å; V783-L787 HydrophobicContact CG1-CD1 4.17Å; V783-L787 HydrophobicContact CG1-CG 4.44Å; V783-L787 WeakPolarHBondContact O-CG 3.33Å; V783-L787 PolarHBondContact O-N 3.35Å; A784-L787 PolarHBondContact O-N 2.98Å; L787-F791 CarbonylContact O-C 3.48Å; L787-F791 PolarHBondContact O-N 2.96Å; L787-Q792 PolarHBondContact O-N 2.9Å; L787-E793 HydrophobicContact CB-CB 4.07Å; L787-E793 HydrophobicContact CD2-CB 4.34Å; L787-E793 HydrophobicContact CD2-CG 4.46Å; L787-E793 PolarHBondContact O-N 2.98Å; L787-A796 HydrophobicContact CD1-CB 4.11Å; L787-A797 HydrophobicContact CB-CB 4.39Å; L787-I800 HydrophobicContact CD1-CD1 3.69Å
788R94.6Very high95Very high71 Ų7139.8 Ų39.827%0.26819%0.186SC..Hα-helixtrans-64-49.9178.1172.7177.4-67.6137.30.6112.6A784 M785 M786 Q792 E794 A797 E801A784-R788 WeakPolarHBondContact O-CB 3.48Å; A784-R788 PolarHBondContact O-N 3.49Å; M785-R788 PolarHBondContact O-N 3.19Å; M786-R788 VanDerWaalsContact C-N 3.32Å; M786-R788 PolarHBondContact O-N 3.33Å; R788-Q792 WeakPolarHBondContact O-CA 3.43Å; R788-Q792 PolarHBondContact O-N 2.82Å; R788-E794 WeakPolarHBondContact CD-OE2 3.37Å; R788-E794 VanDerWaalsContact CG-OE2 3.25Å; R788-E794 WeakPolarHBondContact CG-OE2 3.41Å; R788-E794 IonicContact CZ-OE1 2.75Å; R788-E794 IonicContact CZ-OE2 2.78Å; R788-E794 IonicContact NE-OE1 2.65Å; R788-E794 PolarHBondContact NE-OE1 2.8Å; R788-E794 IonicContact NE-OE2 3.39Å; R788-E794 PolarHBondContact NE-OE2 2.87Å; R788-E794 IonicContact NH2-OE1 3.58Å; R788-E794 PolarHBondContact NH2-OE1 3.43Å; R788-E794 IonicContact NH2-OE2 3.53Å; R788-A797 HydrophobicContact CB-CB 3.84Å; R788-E801 IonicContact CZ-OE1 3.28Å; R788-E801 VanDerWaalsContact CZ-OE1 3.3Å; R788-E801 IonicContact CZ-OE2 2.95Å; R788-E801 IonicContact NH1-OE1 2.78Å; R788-E801 PolarHBondContact NH1-OE1 3.36Å; R788-E801 IonicContact NH1-OE2 3.98Å; R788-E801 VanDerWaalsContact NH2-CD 3.3Å; R788-E801 IonicContact NH2-OE1 2.69Å; R788-E801 PolarHBondContact NH2-OE1 2.85Å; R788-E801 VanDerWaalsContact NH2-OE1 3.08Å; R788-E801 IonicContact NH2-OE2 3.57Å; R788-E801 PolarHBondContact NH2-OE2 2.73Å
789Q92.7Very high95.2Very high73 Ų7341.1 Ų41.134%0.34120%0.197SC..Hα-helixtrans-92.8-40.1-163.3-66.3176.9-10.900113.3H750 Y758 M785 M786H750-Q789 PolarHBondContact CE1-OE1 2.87Å; H750-Q789 PolarHBondContact NE2-OE1 2.82Å; H750-Q789 VanDerWaalsContact NE2-OE1 3.17Å; Y758-Q789 HydrophobicContact CE1-CB 4.24Å; Y758-Q789 WeakPolarHBondContact OH-CB 3.05Å; M785-Q789 VanDerWaalsContact O-CB 3.31Å; M785-Q789 WeakPolarHBondContact O-CB 3.38Å; M785-Q789 WeakPolarHBondContact O-CG 3.33Å; M785-Q789 PolarHBondContact O-N 3.42Å; M786-Q789 PolarHBondContact O-N 2.71Å
790S93.4Very high95.3Very high36 Ų3641.1 Ų41.125%0.25220%0.197SC..THydrogen-bonded Turntrans-87.6-36.2177.8-74.90000112.5Y758 M786Y758-S790 PolarHBondContact OH-N 2.97Å; Y758-S790 PolarHBondContact OH-OG 3.34Å; M786-S790 WeakPolarHBondContact O-CB 3.33Å; M786-S790 PolarHBondContact O-N 3.48Å
791F94.5Very high95.2Very high28 Ų2844.2 Ų44.212%0.12321%0.212CC..SBendtrans-112.8-2.8-169.9-57.4-70.5000114.7H522 F524 D555 A556 M786 L787 E793H522-F791 PolarHBondContact CE1-O 3.34Å; H522-F791 PolarHBondContact ND1-O 3.1Å; F524-F791 HydrophobicContact CD1-CE1 4.48Å; F524-F791 HydrophobicContact CD1-CE2 4.22Å; F524-F791 HydrophobicContact CD1-CZ 4.18Å; F524-F791 HydrophobicContact CE1-CD1 4.03Å; F524-F791 AromaticContact CE1-CD2 3.69Å; F524-F791 HydrophobicContact CE1-CD2 3.69Å; F524-F791 HydrophobicContact CE1-CE1 4.11Å; F524-F791 AromaticContact CE1-CE2 3.76Å; F524-F791 HydrophobicContact CE1-CE2 3.76Å; F524-F791 AromaticContact CE1-CG 3.82Å; F524-F791 HydrophobicContact CE1-CG 3.82Å; F524-F791 AromaticContact CE1-CZ 3.98Å; F524-F791 HydrophobicContact CE1-CZ 3.98Å; F524-F791 HydrophobicContact CZ-CD2 4.44Å; F524-F791 HydrophobicContact CZ-CG 4.49Å; D555-F791 HydrophobicContact CB-CE1 4Å; D555-F791 HydrophobicContact CB-CZ 4.16Å; A556-F791 HydrophobicContact CB-CE2 3.83Å; A556-F791 HydrophobicContact CB-CZ 3.9Å; M786-F791 HydrophobicContact CE-CE2 4.1Å; M786-F791 HydrophobicContact CG-CD2 4.09Å; M786-F791 HydrophobicContact CG-CE2 3.71Å; M786-F791 HydrophobicContact SD-CE2 3.93Å; L787-F791 CarbonylContact O-C 3.48Å; L787-F791 PolarHBondContact O-N 2.96Å; F791-E793 HydrophobicContact CB-CG 4.04Å; F791-E793 PolarHBondContact O-N 3.33Å
792Q93.7Very high95.1Very high172 Ų17246.2 Ų46.280%0.80423%0.225SC*.  trans59.524.7178.5-57.616420.500113.7L787 R788 E794L787-Q792 PolarHBondContact O-N 2.9Å; R788-Q792 WeakPolarHBondContact O-CA 3.43Å; R788-Q792 PolarHBondContact O-N 2.82Å; Q792-E794 VanDerWaalsContact C-N 3.3Å; Q792-E794 PolarHBondContact O-N 2.58Å; Q792-E794 VanDerWaalsContact O-N 3.13Å
793E95.5Very high95.2Very high13 Ų1346.3 Ų46.36%0.06123%0.226CC..  trans-87.658.4179.6-66.5-69.4-179.800111.4C520 T521 H522 L787 F791 Q795 A796 A797C520-E793 HydrophobicContact CB-CG 4.29Å; T521-E793 VanDerWaalsContact CA-OE1 3.31Å; T521-E793 WeakPolarHBondContact CA-OE1 3.29Å; T521-E793 WeakPolarHBondContact CB-OE1 3.37Å; T521-E793 PolarHBondContact N-OE1 3.44Å; T521-E793 PolarHBondContact N-OE2 2.79Å; T521-E793 PolarHBondContact OG1-OE1 3.2Å; H522-E793 IonicContact CE1-OE1 3.33Å; H522-E793 IonicContact CG-OE1 2.95Å; H522-E793 PolarHBondContact N-OE1 2.81Å; H522-E793 IonicContact ND1-OE1 2.66Å; H522-E793 PolarHBondContact ND1-OE1 2.64Å; L787-E793 HydrophobicContact CB-CB 4.07Å; L787-E793 HydrophobicContact CD2-CB 4.34Å; L787-E793 HydrophobicContact CD2-CG 4.46Å; L787-E793 PolarHBondContact O-N 2.98Å; F791-E793 HydrophobicContact CB-CG 4.04Å; F791-E793 PolarHBondContact O-N 3.33Å; E793-Q795 VanDerWaalsContact C-N 3.26Å; E793-Q795 PolarHBondContact O-N 3.37Å; E793-A796 HydrophobicContact CB-CB 4.05Å; E793-A796 PolarHBondContact O-N 3.2Å; E793-A796 VanDerWaalsContact O-N 3.14Å; E793-A797 PolarHBondContact O-N 3.16Å
794E94.1Very high95.1Very high89 Ų8946.5 Ų46.542%0.41623%0.227SC..Hα-helixtrans-58.4-36.8-174.2-178.457.9-143.900113R788 Q792 K798R788-E794 WeakPolarHBondContact CD-OE2 3.37Å; R788-E794 VanDerWaalsContact CG-OE2 3.25Å; R788-E794 WeakPolarHBondContact CG-OE2 3.41Å; R788-E794 IonicContact CZ-OE1 2.75Å; R788-E794 IonicContact CZ-OE2 2.78Å; R788-E794 IonicContact NE-OE1 2.65Å; R788-E794 PolarHBondContact NE-OE1 2.8Å; R788-E794 IonicContact NE-OE2 3.39Å; R788-E794 PolarHBondContact NE-OE2 2.87Å; R788-E794 IonicContact NH2-OE1 3.58Å; R788-E794 PolarHBondContact NH2-OE1 3.43Å; R788-E794 IonicContact NH2-OE2 3.53Å; Q792-E794 VanDerWaalsContact C-N 3.3Å; Q792-E794 PolarHBondContact O-N 2.58Å; Q792-E794 VanDerWaalsContact O-N 3.13Å; E794-K798 WeakPolarHBondContact O-CB 3.5Å; E794-K798 PolarHBondContact O-N 3.41Å
795Q94.2Very high94.9Very high175 Ų17549.7 Ų49.782%0.81824%0.244SC*.Hα-helixtrans-66-41.4179.3-65.8-17611.800111.6E793 A799E793-Q795 VanDerWaalsContact C-N 3.26Å; E793-Q795 PolarHBondContact O-N 3.37Å; Q795-A799 WeakPolarHBondContact O-CB 3.49Å; Q795-A799 PolarHBondContact O-N 2.92Å; Q795-A799 VanDerWaalsContact O-N 3.08Å
796A95.6Very high94.9Very high5 Ų551 Ų514%0.04125%0.253CS..Hα-helixtrans-67.7-45.6177.600000111.3I516 C520 L787 E793 K798 A799 I800I516-A796 HydrophobicContact CG1-CB 3.73Å; C520-A796 VanDerWaalsContact SG-CB 3.56Å; L787-A796 HydrophobicContact CD1-CB 4.11Å; E793-A796 HydrophobicContact CB-CB 4.05Å; E793-A796 PolarHBondContact O-N 3.2Å; E793-A796 VanDerWaalsContact O-N 3.14Å; A796-K798 PolarHBondContact O-N 2.98Å; A796-A799 WeakPolarHBondContact O-CB 3.49Å; A796-A799 PolarHBondContact O-N 3.13Å; A796-I800 WeakPolarHBondContact O-CG1 3.27Å; A796-I800 PolarHBondContact O-N 3.46Å; A796-I800 VanDerWaalsContact O-N 3.1Å
797A95.6Very high94.9Very high0 Ų050.6 Ų50.60%025%0.251CS..Hα-helixtrans-57.3-48.3176.900000111.8A784 L787 R788 E793 A799 I800 E801A784-A797 HydrophobicContact CB-CB 4.29Å; A784-A797 WeakPolarHBondContact O-CB 3.45Å; L787-A797 HydrophobicContact CB-CB 4.39Å; R788-A797 HydrophobicContact CB-CB 3.84Å; E793-A797 PolarHBondContact O-N 3.16Å; A797-A799 VanDerWaalsContact C-N 3.3Å; A797-A799 PolarHBondContact O-N 3.25Å; A797-I800 PolarHBondContact O-N 3.14Å; A797-E801 WeakPolarHBondContact O-CG 3.45Å; A797-E801 PolarHBondContact O-N 2.89Å
798K94.7Very high94.7Very high129 Ų12950.9 Ų50.956%0.56125%0.252SS*.Hα-helixtrans-64.1-34.5178.3-173.3171-176.4172.40112.9E794 A796 T802E794-K798 WeakPolarHBondContact O-CB 3.5Å; E794-K798 PolarHBondContact O-N 3.41Å; A796-K798 PolarHBondContact O-N 2.98Å; K798-T802 WeakPolarHBondContact O-CB 3.18Å; K798-T802 PolarHBondContact O-N 2.75Å; K798-T802 PolarHBondContact O-OG1 2.97Å
799A96.2Very high94.6Very high27 Ų2750.9 Ų50.922%0.22326%0.263CS..Hα-helixtrans-63.6-44.3175.400000111.2I516 Q795 A796 A797 T802 A803 L834I516-A799 HydrophobicContact CD1-CB 4.12Å; Q795-A799 WeakPolarHBondContact O-CB 3.49Å; Q795-A799 PolarHBondContact O-N 2.92Å; Q795-A799 VanDerWaalsContact O-N 3.08Å; A796-A799 WeakPolarHBondContact O-CB 3.49Å; A796-A799 PolarHBondContact O-N 3.13Å; A797-A799 VanDerWaalsContact C-N 3.3Å; A797-A799 PolarHBondContact O-N 3.25Å; A799-T802 PolarHBondContact O-N 2.9Å; A799-A803 WeakPolarHBondContact O-CB 3.45Å; A799-A803 PolarHBondContact O-N 3.07Å; A799-L834 HydrophobicContact CB-CD2 3.88Å; A799-L834 WeakPolarHBondContact O-CD2 3.29Å
800I96.8Very high94.7Very high0 Ų053.8 Ų53.80%027%0.271CS..Hα-helixtrans-60.5-49.8175.3-63.9171.2000111V512 I516 I780 V783 A784 L787 A796 A797 T802 A803 C804 L834V512-I800 HydrophobicContact CG1-CD1 4.03Å; V512-I800 HydrophobicContact CG1-CG1 3.94Å; V512-I800 HydrophobicContact CG1-CG2 4.2Å; I516-I800 HydrophobicContact CG1-CG1 4.35Å; I516-I800 HydrophobicContact CG2-CD1 4.17Å; I780-I800 HydrophobicContact CG2-CG2 3.37Å; V783-I800 HydrophobicContact CG1-CD1 4.19Å; A784-I800 HydrophobicContact CB-CB 4.07Å; A784-I800 HydrophobicContact CB-CD1 4.22Å; A784-I800 HydrophobicContact CB-CG2 4.04Å; L787-I800 HydrophobicContact CD1-CD1 3.69Å; A796-I800 WeakPolarHBondContact O-CG1 3.27Å; A796-I800 PolarHBondContact O-N 3.46Å; A796-I800 VanDerWaalsContact O-N 3.1Å; A797-I800 PolarHBondContact O-N 3.14Å; I800-T802 VanDerWaalsContact C-N 3.31Å; I800-T802 PolarHBondContact O-N 3.04Å; I800-A803 PolarHBondContact O-N 2.98Å; I800-C804 PolarHBondContact O-N 3.45Å; I800-L834 HydrophobicContact CG1-CD1 4.27Å
801E94.6Very high94.6Very high65 Ų6554.2 Ų54.230%0.30428%0.281SS..Hα-helixtrans-57.4-45.3179.4-69.716816200111.5L781 A784 R788 A797 C804 D805L781-E801 HydrophobicContact CD2-CG 4.03Å; A784-E801 HydrophobicContact CB-CG 4.24Å; R788-E801 IonicContact CZ-OE1 3.28Å; R788-E801 VanDerWaalsContact CZ-OE1 3.3Å; R788-E801 IonicContact CZ-OE2 2.95Å; R788-E801 IonicContact NH1-OE1 2.78Å; R788-E801 PolarHBondContact NH1-OE1 3.36Å; R788-E801 IonicContact NH1-OE2 3.98Å; R788-E801 VanDerWaalsContact NH2-CD 3.3Å; R788-E801 IonicContact NH2-OE1 2.69Å; R788-E801 PolarHBondContact NH2-OE1 2.85Å; R788-E801 VanDerWaalsContact NH2-OE1 3.08Å; R788-E801 IonicContact NH2-OE2 3.57Å; R788-E801 PolarHBondContact NH2-OE2 2.73Å; A797-E801 WeakPolarHBondContact O-CG 3.45Å; A797-E801 PolarHBondContact O-N 2.89Å; E801-C804 PolarHBondContact O-N 3.46Å; E801-D805 PolarHBondContact O-N 3.31Å; E801-D805 VanDerWaalsContact O-N 3.1Å
802T94.6Very high94.6Very high74 Ų7455.5 Ų55.545%0.45429%0.289SS..Hα-helixtrans-65.7-38.9178.4-54.70000111.6K798 A799 I800 D805 T806K798-T802 WeakPolarHBondContact O-CB 3.18Å; K798-T802 PolarHBondContact O-N 2.75Å; K798-T802 PolarHBondContact O-OG1 2.97Å; A799-T802 PolarHBondContact O-N 2.9Å; I800-T802 VanDerWaalsContact C-N 3.31Å; I800-T802 PolarHBondContact O-N 3.04Å; T802-D805 PolarHBondContact O-N 3.06Å; T802-T806 VanDerWaalsContact O-CB 3.28Å; T802-T806 WeakPolarHBondContact O-CB 3.36Å; T802-T806 PolarHBondContact O-N 3.44Å; T802-T806 PolarHBondContact O-OG1 3.42Å
803A96.6Very high94.6Very high2 Ų248.8 Ų48.82%0.01726%0.257CS..Hα-helixtrans-64.4-47.4178.400000111.5A799 I800 D805 T806 V807 V830 E833 L834A799-A803 WeakPolarHBondContact O-CB 3.45Å; A799-A803 PolarHBondContact O-N 3.07Å; I800-A803 PolarHBondContact O-N 2.98Å; A803-D805 PolarHBondContact O-N 3.5Å; A803-T806 PolarHBondContact O-N 3.38Å; A803-V807 WeakPolarHBondContact O-CB 3.36Å; A803-V807 VanDerWaalsContact O-CG2 3.28Å; A803-V807 WeakPolarHBondContact O-CG2 3.44Å; A803-V807 PolarHBondContact O-N 3.47Å; A803-V830 HydrophobicContact CB-CG1 4Å; A803-E833 HydrophobicContact CB-CB 3.95Å; A803-E833 HydrophobicContact CB-CG 3.94Å; A803-L834 HydrophobicContact CB-CD2 3.75Å; A803-L834 HydrophobicContact CB-CG 3.95Å
804C95Very high94.4Very high4 Ų448.1 Ų48.13%0.02725%0.254CS..Hα-helixtrans-57.7-48.4174.9-71.10000112I800 E801 T806 V807 L808I800-C804 PolarHBondContact O-N 3.45Å; E801-C804 PolarHBondContact O-N 3.46Å; C804-T806 VanDerWaalsContact C-N 3.32Å; C804-T806 PolarHBondContact O-N 2.9Å; C804-V807 PolarHBondContact O-N 2.9Å; C804-L808 WeakPolarHBondContact O-CG 3.39Å; C804-L808 PolarHBondContact O-N 3.47Å
805D92.7Very high94.2Very high66 Ų6647.9 Ų47.935%0.35325%0.253SS..Hα-helixtrans-64.1-37.1179.7-170.162.7000112.3S597 E801 T802 A803 S809S597-D805 WeakPolarHBondContact CB-OD1 3.23Å; S597-D805 PolarHBondContact OG-OD1 2.95Å; E801-D805 PolarHBondContact O-N 3.31Å; E801-D805 VanDerWaalsContact O-N 3.1Å; T802-D805 PolarHBondContact O-N 3.06Å; A803-D805 PolarHBondContact O-N 3.5Å; D805-S809 VanDerWaalsContact O-CB 3.24Å; D805-S809 WeakPolarHBondContact O-CB 3.45Å; D805-S809 PolarHBondContact O-N 3.17Å; D805-S809 PolarHBondContact O-OG 3.39Å
806T94.8Very high93.8Very high34 Ų3442.4 Ų42.421%0.20923%0.229CC..Hα-helixtrans-68.2-43.7177.3-600000111.7T802 A803 C804 S809 R810 E833T802-T806 VanDerWaalsContact O-CB 3.28Å; T802-T806 WeakPolarHBondContact O-CB 3.36Å; T802-T806 PolarHBondContact O-N 3.44Å; T802-T806 PolarHBondContact O-OG1 3.42Å; A803-T806 PolarHBondContact O-N 3.38Å; C804-T806 VanDerWaalsContact C-N 3.32Å; C804-T806 PolarHBondContact O-N 2.9Å; T806-S809 PolarHBondContact O-N 2.9Å; T806-R810 WeakPolarHBondContact O-CG 3.39Å; T806-R810 PolarHBondContact O-N 3.4Å; T806-E833 HydrophobicContact CG2-CG 4.37Å
807V95.7Very high93.5Very high0 Ų042.5 Ų42.50%023%0.229CC..Hα-helixtrans-61.2-45.9176.6169.50000110.8A803 C804 R810 I812 F826 A829 V830A803-V807 WeakPolarHBondContact O-CB 3.36Å; A803-V807 VanDerWaalsContact O-CG2 3.28Å; A803-V807 WeakPolarHBondContact O-CG2 3.44Å; A803-V807 PolarHBondContact O-N 3.47Å; C804-V807 PolarHBondContact O-N 2.9Å; V807-R810 WeakPolarHBondContact O-CB 3.49Å; V807-R810 PolarHBondContact O-N 3Å; V807-I812 HydrophobicContact CG1-CB 3.78Å; V807-I812 HydrophobicContact CG1-CD1 4.18Å; V807-I812 HydrophobicContact CG1-CG2 4Å; V807-I812 PolarHBondContact O-N 2.92Å; V807-F826 HydrophobicContact CB-CE2 4.44Å; V807-F826 HydrophobicContact CB-CZ 4.4Å; V807-F826 HydrophobicContact CG1-CD2 3.89Å; V807-F826 HydrophobicContact CG1-CE2 3.49Å; V807-F826 VanDerWaalsContact CG1-CE2 3.49Å; V807-F826 HydrophobicContact CG1-CZ 3.83Å; V807-A829 HydrophobicContact CG1-CB 3.92Å; V807-A829 HydrophobicContact CG2-CB 3.95Å; V807-V830 HydrophobicContact CB-CG2 4.39Å; V807-V830 HydrophobicContact CG2-CG2 3.99Å
808L93.3Very high93.1Very high6 Ų646 Ų463%0.03127%0.265CS..Hα-helixtrans-62.4-42.9174.5-70.3172.7000112.2A599 L600 I777 C804 R810 G811 F813 F826A599-L808 HydrophobicContact CB-CB 3.79Å; L600-L808 HydrophobicContact CD1-CD1 4.04Å; L600-L808 HydrophobicContact CD2-CD1 4.09Å; L600-L808 HydrophobicContact CD2-CD2 4.06Å; L600-L808 HydrophobicContact CG-CD1 4.09Å; I777-L808 HydrophobicContact CD1-CD1 3.74Å; I777-L808 HydrophobicContact CD1-CD2 3.84Å; I777-L808 HydrophobicContact CD1-CG 4.02Å; C804-L808 WeakPolarHBondContact O-CG 3.39Å; C804-L808 PolarHBondContact O-N 3.47Å; L808-R810 PolarHBondContact O-N 3.42Å; L808-G811 WeakPolarHBondContact O-CA 3.26Å; L808-G811 PolarHBondContact O-N 3.27Å; L808-F813 HydrophobicContact CB-CE1 4.34Å; L808-F813 HydrophobicContact CD2-CD1 3.58Å; L808-F813 HydrophobicContact CD2-CE1 3.65Å; L808-F813 WeakPolarHBondContact O-CZ 3.29Å; L808-F826 HydrophobicContact CD2-CE2 3.87Å; L808-F826 HydrophobicContact CD2-CZ 4.25Å; L808-F826 HydrophobicContact CG-CE2 4.3Å; L808-F826 HydrophobicContact CG-CZ 4.31Å
809S92.5Very high92.9Very high70 Ų7040.7 Ų40.749%0.4925%0.247SC..Hα-helixtrans-65-21.3178.2-64.70000113.4D805 T806 G811D805-S809 VanDerWaalsContact O-CB 3.24Å; D805-S809 WeakPolarHBondContact O-CB 3.45Å; D805-S809 PolarHBondContact O-N 3.17Å; D805-S809 PolarHBondContact O-OG 3.39Å; T806-S809 PolarHBondContact O-N 2.9Å; S809-G811 VanDerWaalsContact C-N 3.25Å
810R93.9Very high92.7Very high134 Ų13447.7 Ų47.751%0.50628%0.275SS..THydrogen-bonded Turntrans-80.2-3.7171.1-70.3170.9-175.1168.17.5113.2T806 V807 L808 I812 E833T806-R810 WeakPolarHBondContact O-CG 3.39Å; T806-R810 PolarHBondContact O-N 3.4Å; V807-R810 WeakPolarHBondContact O-CB 3.49Å; V807-R810 PolarHBondContact O-N 3Å; L808-R810 PolarHBondContact O-N 3.42Å; R810-I812 HydrophobicContact CB-CG1 4.45Å; R810-E833 IonicContact CZ-OE2 3Å; R810-E833 IonicContact NH1-OE2 3.09Å; R810-E833 PolarHBondContact NH1-OE2 2.81Å; R810-E833 VanDerWaalsContact NH2-CD 3.32Å; R810-E833 IonicContact NH2-OE1 2.8Å; R810-E833 PolarHBondContact NH2-OE1 2.98Å; R810-E833 IonicContact NH2-OE2 3.38Å; R810-E833 PolarHBondContact NH2-OE2 2.86Å
811G92.1Very high92.5Very high46 Ų4648.2 Ų48.247%0.47428%0.279SS..THydrogen-bonded Turntrans8516.3179.800000114.4L808 S809 F813L808-G811 WeakPolarHBondContact O-CA 3.26Å; L808-G811 PolarHBondContact O-N 3.27Å; S809-G811 VanDerWaalsContact C-N 3.25Å; G811-F813 WeakPolarHBondContact O-CD2 3.32Å; G811-F813 PolarHBondContact O-N 3.35Å
812I94.2Very high92.4Very high55 Ų5547.4 Ų47.428%0.28228%0.279SS..  trans-87.2100.8177.3-56.3174.6000107.7V807 R810 A821 F826 A829V807-I812 HydrophobicContact CG1-CB 3.78Å; V807-I812 HydrophobicContact CG1-CD1 4.18Å; V807-I812 HydrophobicContact CG1-CG2 4Å; V807-I812 PolarHBondContact O-N 2.92Å; R810-I812 HydrophobicContact CB-CG1 4.45Å; I812-A821 HydrophobicContact CG2-CB 3.87Å; I812-F826 HydrophobicContact CG2-CD2 4.11Å; I812-F826 WeakPolarHBondContact O-CE2 3.36Å; I812-A829 HydrophobicContact CD1-CB 4.01Å
813F93.3Very high92.1Very high30 Ų3044.1 Ų44.113%0.13226%0.259CS..  trans-118.6141.1177.4-56.7-80.4000109.6L600 H602 L808 G811 L817 G819 Q820 A821L600-F813 HydrophobicContact CD2-CD1 4.35Å; L600-F813 HydrophobicContact CD2-CE1 3.93Å; H602-F813 AromaticContact CE1-CZ 3.76Å; L808-F813 HydrophobicContact CB-CE1 4.34Å; L808-F813 HydrophobicContact CD2-CD1 3.58Å; L808-F813 HydrophobicContact CD2-CE1 3.65Å; L808-F813 WeakPolarHBondContact O-CZ 3.29Å; G811-F813 WeakPolarHBondContact O-CD2 3.32Å; G811-F813 PolarHBondContact O-N 3.35Å; F813-L817 HydrophobicContact CB-CB 4.16Å; F813-G819 CarbonylContact O-C 3.5Å; F813-G819 VanDerWaalsContact O-CA 3.3Å; F813-G819 WeakPolarHBondContact O-CA 3.31Å; F813-Q820 PolarHBondContact O-N 2.73Å; F813-Q820 VanDerWaalsContact O-N 3.16Å; F813-A821 VanDerWaalsContact O-CB 3.27Å; F813-A821 WeakPolarHBondContact O-CB 3.41Å; F813-A821 PolarHBondContact O-N 3.31Å
814T92.8Very high91.9Very high0 Ų046.6 Ų46.60%028%0.279CS..BIsolated β-bridgetrans-71.3166.4169.548.40000111.1N775 D816 L817 G818 G819 A821 F826N775-T814 WeakPolarHBondContact CA-OG1 3.19Å; N775-T814 VanDerWaalsContact CB-OG1 3.26Å; N775-T814 WeakPolarHBondContact CB-OG1 3.25Å; T814-D816 VanDerWaalsContact C-N 3.33Å; T814-D816 VanDerWaalsContact CB-OD1 3.27Å; T814-D816 WeakPolarHBondContact CB-OD1 3.49Å; T814-D816 PolarHBondContact O-N 3.43Å; T814-D816 PolarHBondContact OG1-OD1 3.48Å; T814-L817 CarbonylContact O-C 3.23Å; T814-L817 WeakPolarHBondContact O-CA 3.47Å; T814-L817 PolarHBondContact O-N 3.11Å; T814-L817 VanDerWaalsContact O-N 3.07Å; T814-G818 PolarHBondContact O-N 3.09Å; T814-G819 WeakPolarHBondContact O-CA 3.43Å; T814-G819 PolarHBondContact O-N 2.77Å; T814-A821 VanDerWaalsContact CA-O 3.25Å; T814-A821 WeakPolarHBondContact CA-O 3.48Å; T814-F826 HydrophobicContact CG2-CB 3.78Å; T814-F826 HydrophobicContact CG2-CD2 4.33Å; T814-F826 HydrophobicContact CG2-CG 4.17Å
815H88.5Confident91.9Very high84 Ų8451.5 Ų51.539%0.38930%0.302SS..G310 helixtrans-66.1-34.9-173.8-62.561.6000112.8I773 L817 G818 Q820 A821I773-H815 HydrophobicContact CB-CB 3.95Å; I773-H815 HydrophobicContact CG2-CB 4.37Å; H815-L817 PolarHBondContact O-N 3.22Å; H815-G818 WeakPolarHBondContact O-CA 3.29Å; H815-G818 PolarHBondContact O-N 2.93Å; H815-Q820 VanDerWaalsContact CE1-C 3.46Å; H815-Q820 PolarHBondContact CE1-O 3.29Å; H815-A821 PolarHBondContact N-O 3.4Å; H815-A821 PolarHBondContact ND1-O 2.95Å
816D86.2Confident92.1Very high60 Ų6048.3 Ų48.332%0.32129%0.285SS..G310 helixtrans-66.7-17.6174.769.1-32000113.4I768 N775 T814I768-D816 HydrophobicContact CD1-CB 3.99Å; N775-D816 VanDerWaalsContact CB-OD1 3.25Å; N775-D816 WeakPolarHBondContact CB-OD1 3.22Å; N775-D816 WeakPolarHBondContact CB-OD2 3.3Å; N775-D816 PolarHBondContact N-OD1 3.4Å; N775-D816 PolarHBondContact N-OD2 3.5Å; T814-D816 VanDerWaalsContact C-N 3.33Å; T814-D816 VanDerWaalsContact CB-OD1 3.27Å; T814-D816 WeakPolarHBondContact CB-OD1 3.49Å; T814-D816 PolarHBondContact O-N 3.43Å; T814-D816 PolarHBondContact OG1-OD1 3.48Å
817L89.5Confident92.1Very high6 Ų646.7 Ų46.73%0.03128%0.275CS..G310 helixtrans-96.911.8168.6-62-179.5000112.9L603 S741 V744 N775 I777 F813 T814 H815L603-L817 HydrophobicContact CD1-CB 4.16Å; L603-L817 HydrophobicContact CD1-CD2 4.09Å; S741-L817 VanDerWaalsContact CB-CD2 3.49Å; V744-L817 HydrophobicContact CG1-CD1 4.35Å; V744-L817 HydrophobicContact CG1-CD2 4.35Å; N775-L817 HydrophobicContact CB-CD1 4Å; N775-L817 HydrophobicContact CB-CG 4.04Å; I777-L817 HydrophobicContact CD1-CD1 4.36Å; F813-L817 HydrophobicContact CB-CB 4.16Å; T814-L817 CarbonylContact O-C 3.23Å; T814-L817 WeakPolarHBondContact O-CA 3.47Å; T814-L817 PolarHBondContact O-N 3.11Å; T814-L817 VanDerWaalsContact O-N 3.07Å; H815-L817 PolarHBondContact O-N 3.22Å
818G87.8Confident92.2Very high73 Ų7351 Ų5175%0.75330%0.298SS*.THydrogen-bonded Turntrans81.510.7178.900000115.4T814 H815T814-G818 PolarHBondContact O-N 3.09Å; H815-G818 WeakPolarHBondContact O-CA 3.29Å; H815-G818 PolarHBondContact O-N 2.93Å
819G89.9Confident92.4Very high19 Ų1951.4 Ų51.420%0.19630%0.302CS..SBendtrans-95.3-158.1176.900000114.7F813 T814F813-G819 CarbonylContact O-C 3.5Å; F813-G819 VanDerWaalsContact O-CA 3.3Å; F813-G819 WeakPolarHBondContact O-CA 3.31Å; T814-G819 WeakPolarHBondContact O-CA 3.43Å; T814-G819 PolarHBondContact O-N 2.77Å
820Q92.2Very high92.6Very high173 Ų17348.1 Ų48.181%0.80828%0.279SS*.SBendtrans-127.1-3.9-178.5-65.2-176.1-10.100113F813 H815F813-Q820 PolarHBondContact O-N 2.73Å; F813-Q820 VanDerWaalsContact O-N 3.16Å; H815-Q820 VanDerWaalsContact CE1-C 3.46Å; H815-Q820 PolarHBondContact CE1-O 3.29Å
821A91.9Very high92.7Very high11 Ų1142.9 Ų42.99%0.09126%0.261CS..BIsolated β-bridgetrans-71.9141.6177.900000110.1I812 F813 T814 H815 E825I812-A821 HydrophobicContact CG2-CB 3.87Å; F813-A821 VanDerWaalsContact O-CB 3.27Å; F813-A821 WeakPolarHBondContact O-CB 3.41Å; F813-A821 PolarHBondContact O-N 3.31Å; T814-A821 VanDerWaalsContact CA-O 3.25Å; T814-A821 WeakPolarHBondContact CA-O 3.48Å; H815-A821 PolarHBondContact N-O 3.4Å; H815-A821 PolarHBondContact ND1-O 2.95Å; A821-E825 HydrophobicContact CB-CB 4.32Å
822T92.5Very high92.9Very high49 Ų4945.6 Ų45.630%0.30126%0.261SS..  trans-74.5161.7161.959.10000110.2G772 A824 E825 F826G772-T822 CarbonylContact O-C 3.58Å; G772-T822 WeakPolarHBondContact O-CA 3.44Å; G772-T822 WeakPolarHBondContact O-CB 3.48Å; T822-A824 PolarHBondContact O-N 3.21Å; T822-E825 PolarHBondContact N-OE2 3.14Å; T822-E825 PolarHBondContact O-N 3.32Å; T822-E825 WeakPolarHBondContact OG1-CB 3.32Å; T822-E825 VanDerWaalsContact OG1-CD 3.29Å; T822-E825 WeakPolarHBondContact OG1-CG 3.38Å; T822-E825 PolarHBondContact OG1-N 3.2Å; T822-E825 VanDerWaalsContact OG1-N 3.13Å; T822-E825 PolarHBondContact OG1-OE2 2.7Å; T822-F826 PolarHBondContact O-N 3.24Å
823T89.8Confident92.9Very high4 Ų444.5 Ų44.53%0.02526%0.255CS..Hα-helixtrans-52.8-43.1172.9-47.50000111.2E504 G772 I773 A774 P776 F826 T827E504-T823 HydrophobicContact CG-CG2 4.06Å; E504-T823 WeakPolarHBondContact OE1-CB 3.36Å; E504-T823 PolarHBondContact OE1-OG1 3.48Å; G772-T823 PolarHBondContact O-N 3.02Å; G772-T823 PolarHBondContact O-OG1 2.85Å; I773-T823 PolarHBondContact N-OG1 3.38Å; A774-T823 PolarHBondContact N-OG1 3.34Å; A774-T823 WeakPolarHBondContact O-CB 3.47Å; A774-T823 WeakPolarHBondContact O-CG2 3.33Å; A774-T823 PolarHBondContact O-OG1 3.23Å; P776-T823 HydrophobicContact CB-CG2 4.06Å; P776-T823 HydrophobicContact CG-CG2 3.99Å; T823-F826 PolarHBondContact O-N 2.98Å; T823-T827 WeakPolarHBondContact O-CB 3.49Å; T823-T827 PolarHBondContact O-N 3.3Å; T823-T827 PolarHBondContact O-OG1 3.28Å
824A92Very high93Very high54 Ų5443.3 Ų43.345%0.44625%0.25SC..Hα-helixtrans-67.8-42.3178.800000112.7T822 T827 N828T822-A824 PolarHBondContact O-N 3.21Å; A824-T827 PolarHBondContact O-N 3.42Å; A824-N828 WeakPolarHBondContact O-CB 3.19Å; A824-N828 PolarHBondContact O-N 2.95Å; A824-N828 PolarHBondContact O-ND2 3.04Å; A824-N828 VanDerWaalsContact O-ND2 3.07Å
825E94.8Very high92.8Very high107 Ų10749.1 Ų49.150%0.528%0.277SS..Hα-helixtrans-63.2-41.8176.5-76.1166.1144.800111.9A821 T822 N828 A829A821-E825 HydrophobicContact CB-CB 4.32Å; T822-E825 PolarHBondContact N-OE2 3.14Å; T822-E825 PolarHBondContact O-N 3.32Å; T822-E825 WeakPolarHBondContact OG1-CB 3.32Å; T822-E825 VanDerWaalsContact OG1-CD 3.29Å; T822-E825 WeakPolarHBondContact OG1-CG 3.38Å; T822-E825 PolarHBondContact OG1-N 3.2Å; T822-E825 VanDerWaalsContact OG1-N 3.13Å; T822-E825 PolarHBondContact OG1-OE2 2.7Å; E825-N828 PolarHBondContact O-N 3.24Å; E825-A829 WeakPolarHBondContact O-CB 3.42Å; E825-A829 PolarHBondContact O-N 3.49Å
826F96.3Very high92.7Very high0 Ų051.1 Ų51.10%029%0.286CS..Hα-helixtrans-61.8-49.1175.1-171.5-83000111.2P776 I777 V807 L808 I812 T814 T822 T823 N828 A829 V830P776-F826 HydrophobicContact CG-CD1 3.82Å; I777-F826 HydrophobicContact CD1-CE1 4.07Å; I777-F826 HydrophobicContact CD1-CE2 4.18Å; I777-F826 HydrophobicContact CD1-CZ 3.54Å; I777-F826 HydrophobicContact CG1-CE1 3.54Å; I777-F826 HydrophobicContact CG1-CZ 3.56Å; V807-F826 HydrophobicContact CB-CE2 4.44Å; V807-F826 HydrophobicContact CB-CZ 4.4Å; V807-F826 HydrophobicContact CG1-CD2 3.89Å; V807-F826 HydrophobicContact CG1-CE2 3.49Å; V807-F826 VanDerWaalsContact CG1-CE2 3.49Å; V807-F826 HydrophobicContact CG1-CZ 3.83Å; L808-F826 HydrophobicContact CD2-CE2 3.87Å; L808-F826 HydrophobicContact CD2-CZ 4.25Å; L808-F826 HydrophobicContact CG-CE2 4.3Å; L808-F826 HydrophobicContact CG-CZ 4.31Å; I812-F826 HydrophobicContact CG2-CD2 4.11Å; I812-F826 WeakPolarHBondContact O-CE2 3.36Å; T814-F826 HydrophobicContact CG2-CB 3.78Å; T814-F826 HydrophobicContact CG2-CD2 4.33Å; T814-F826 HydrophobicContact CG2-CG 4.17Å; T822-F826 PolarHBondContact O-N 3.24Å; T823-F826 PolarHBondContact O-N 2.98Å; F826-N828 VanDerWaalsContact C-N 3.34Å; F826-N828 PolarHBondContact O-N 2.64Å; F826-A829 WeakPolarHBondContact O-CB 3.35Å; F826-A829 PolarHBondContact O-N 3.04Å; F826-A829 VanDerWaalsContact O-N 3.16Å; F826-V830 HydrophobicContact CD1-CG2 4.05Å; F826-V830 HydrophobicContact CE1-CG2 3.6Å; F826-V830 HydrophobicContact CZ-CG2 4.23Å; F826-V830 PolarHBondContact O-N 3.13Å
827T96Very high92.2Very high0 Ų053.1 Ų53.10%031%0.311CS..Hα-helixtrans-58.6-44.1177.8-64.10000112.1S508 Q511 V512 T823 A824 A829 V830 I831S508-T827 WeakPolarHBondContact CB-OG1 3.46Å; S508-T827 PolarHBondContact OG-OG1 3.44Å; Q511-T827 HydrophobicContact CB-CG2 4.21Å; V512-T827 HydrophobicContact CG2-CG2 4.41Å; T823-T827 WeakPolarHBondContact O-CB 3.49Å; T823-T827 PolarHBondContact O-N 3.3Å; T823-T827 PolarHBondContact O-OG1 3.28Å; A824-T827 PolarHBondContact O-N 3.42Å; T827-A829 VanDerWaalsContact C-N 3.34Å; T827-A829 PolarHBondContact O-N 3.16Å; T827-V830 PolarHBondContact O-N 3.09Å; T827-I831 HydrophobicContact CG2-CD1 3.94Å; T827-I831 WeakPolarHBondContact O-CG1 3.26Å; T827-I831 PolarHBondContact O-N 3.04Å
828N96.6Very high92.4Very high90 Ų9055.5 Ų55.548%0.48133%0.325SS..Hα-helixtrans-63.1-39176.7-74.1-34000112.2A824 E825 F826 V830 I831 Q832A824-N828 WeakPolarHBondContact O-CB 3.19Å; A824-N828 PolarHBondContact O-N 2.95Å; A824-N828 PolarHBondContact O-ND2 3.04Å; A824-N828 VanDerWaalsContact O-ND2 3.07Å; E825-N828 PolarHBondContact O-N 3.24Å; F826-N828 VanDerWaalsContact C-N 3.34Å; F826-N828 PolarHBondContact O-N 2.64Å; N828-V830 VanDerWaalsContact C-N 3.34Å; N828-V830 PolarHBondContact O-N 3.28Å; N828-I831 PolarHBondContact O-N 2.87Å; N828-Q832 WeakPolarHBondContact O-CB 3.27Å; N828-Q832 PolarHBondContact O-N 3.41Å
829A97Very high92.6Very high15 Ų1554.5 Ų54.512%0.12430%0.303CS..Hα-helixtrans-64-38.8176.200000112V807 I812 E825 F826 T827 E833V807-A829 HydrophobicContact CG1-CB 3.92Å; V807-A829 HydrophobicContact CG2-CB 3.95Å; I812-A829 HydrophobicContact CD1-CB 4.01Å; E825-A829 WeakPolarHBondContact O-CB 3.42Å; E825-A829 PolarHBondContact O-N 3.49Å; F826-A829 WeakPolarHBondContact O-CB 3.35Å; F826-A829 PolarHBondContact O-N 3.04Å; F826-A829 VanDerWaalsContact O-N 3.16Å; T827-A829 VanDerWaalsContact C-N 3.34Å; T827-A829 PolarHBondContact O-N 3.16Å; A829-E833 PolarHBondContact O-N 3.37Å; A829-E833 VanDerWaalsContact O-N 3.13Å
830V96.8Very high92.8Very high0 Ų056.5 Ų56.50%031%0.309CS..Hα-helixtrans-64.8-46.7174.1173.40000110.8V512 A803 V807 F826 T827 N828 Q832 E833 L834V512-V830 HydrophobicContact CG2-CG1 4.02Å; A803-V830 HydrophobicContact CB-CG1 4Å; V807-V830 HydrophobicContact CB-CG2 4.39Å; V807-V830 HydrophobicContact CG2-CG2 3.99Å; F826-V830 HydrophobicContact CD1-CG2 4.05Å; F826-V830 HydrophobicContact CE1-CG2 3.6Å; F826-V830 HydrophobicContact CZ-CG2 4.23Å; F826-V830 PolarHBondContact O-N 3.13Å; T827-V830 PolarHBondContact O-N 3.09Å; N828-V830 VanDerWaalsContact C-N 3.34Å; N828-V830 PolarHBondContact O-N 3.28Å; V830-Q832 VanDerWaalsContact C-N 3.34Å; V830-Q832 PolarHBondContact O-N 3.47Å; V830-E833 PolarHBondContact O-N 3.02Å; V830-L834 HydrophobicContact CG1-CD1 4.28Å; V830-L834 WeakPolarHBondContact O-CG 3.37Å; V830-L834 PolarHBondContact O-N 2.63Å
831I96.6Very high92.8Very high24 Ų2449.6 Ų49.612%0.12328%0.279CS..Hα-helixtrans-60.8-43.7178.4-69.5167.2000111Q511 V512 A515 T827 N828 E833 L834 E835Q511-I831 HydrophobicContact CB-CD1 3.91Å; V512-I831 HydrophobicContact CG2-CG1 4.19Å; A515-I831 HydrophobicContact CB-CB 4.49Å; A515-I831 HydrophobicContact CB-CG1 4.07Å; A515-I831 HydrophobicContact CB-CG2 3.93Å; T827-I831 HydrophobicContact CG2-CD1 3.94Å; T827-I831 WeakPolarHBondContact O-CG1 3.26Å; T827-I831 PolarHBondContact O-N 3.04Å; N828-I831 PolarHBondContact O-N 2.87Å; I831-E833 VanDerWaalsContact C-N 3.32Å; I831-E833 PolarHBondContact O-N 2.96Å; I831-L834 WeakPolarHBondContact O-CB 3.23Å; I831-L834 PolarHBondContact O-N 3.39Å; I831-L834 VanDerWaalsContact O-N 3.14Å; I831-E835 HydrophobicContact CG2-CG 4.45Å; I831-E835 WeakPolarHBondContact O-CG 3.45Å; I831-E835 PolarHBondContact O-N 3.41Å
832Q95.6Very high92.9Very high103 Ų10352.1 Ų52.148%0.48129%0.291SS..Hα-helixtrans-59-44.6176.8-175.8-178.9-9.100111.4N828 V830 L834 E835 E836N828-Q832 WeakPolarHBondContact O-CB 3.27Å; N828-Q832 PolarHBondContact O-N 3.41Å; V830-Q832 VanDerWaalsContact C-N 3.34Å; V830-Q832 PolarHBondContact O-N 3.47Å; Q832-L834 VanDerWaalsContact C-N 3.28Å; Q832-L834 PolarHBondContact O-N 3.3Å; Q832-E835 PolarHBondContact O-N 3.44Å; Q832-E835 VanDerWaalsContact O-N 3.17Å; Q832-E836 WeakPolarHBondContact CG-OE1 3.38Å; Q832-E836 PolarHBondContact NE2-OE1 2.6Å; Q832-E836 WeakPolarHBondContact O-CG 3.46Å; Q832-E836 PolarHBondContact O-N 2.86Å
833E95.5Very high92.9Very high33 Ų3352.3 Ų52.315%0.15429%0.29CS..Hα-helixtrans-62.3-37.8176.8-16863.5-166.200112A803 T806 R810 A829 V830 I831 E835 E836 A837A803-E833 HydrophobicContact CB-CB 3.95Å; A803-E833 HydrophobicContact CB-CG 3.94Å; T806-E833 HydrophobicContact CG2-CG 4.37Å; R810-E833 IonicContact CZ-OE2 3Å; R810-E833 IonicContact NH1-OE2 3.09Å; R810-E833 PolarHBondContact NH1-OE2 2.81Å; R810-E833 VanDerWaalsContact NH2-CD 3.32Å; R810-E833 IonicContact NH2-OE1 2.8Å; R810-E833 PolarHBondContact NH2-OE1 2.98Å; R810-E833 IonicContact NH2-OE2 3.38Å; R810-E833 PolarHBondContact NH2-OE2 2.86Å; A829-E833 PolarHBondContact O-N 3.37Å; A829-E833 VanDerWaalsContact O-N 3.13Å; V830-E833 PolarHBondContact O-N 3.02Å; I831-E833 VanDerWaalsContact C-N 3.32Å; I831-E833 PolarHBondContact O-N 2.96Å; E833-E835 VanDerWaalsContact C-N 3.35Å; E833-E836 PolarHBondContact O-N 2.71Å; E833-A837 WeakPolarHBondContact O-CB 3.4Å; E833-A837 PolarHBondContact O-N 2.82Å; E833-A837 VanDerWaalsContact O-N 3.1Å
834L94.1Very high93.1Very high4 Ų455.7 Ų55.72%0.02131%0.309CS..Hα-helixtrans-68.3-31.3175.5-68.8177.8000113.1V512 I516 K519 A799 I800 A803 V830 I831 Q832V512-L834 HydrophobicContact CG1-CD1 3.8Å; I516-L834 HydrophobicContact CD1-CD1 4.43Å; I516-L834 HydrophobicContact CD1-CD2 4.01Å; K519-L834 PolarHBondContact NZ-O 2.94Å; A799-L834 HydrophobicContact CB-CD2 3.88Å; A799-L834 WeakPolarHBondContact O-CD2 3.29Å; I800-L834 HydrophobicContact CG1-CD1 4.27Å; A803-L834 HydrophobicContact CB-CD2 3.75Å; A803-L834 HydrophobicContact CB-CG 3.95Å; V830-L834 HydrophobicContact CG1-CD1 4.28Å; V830-L834 WeakPolarHBondContact O-CG 3.37Å; V830-L834 PolarHBondContact O-N 2.63Å; I831-L834 WeakPolarHBondContact O-CB 3.23Å; I831-L834 PolarHBondContact O-N 3.39Å; I831-L834 VanDerWaalsContact O-N 3.14Å; Q832-L834 VanDerWaalsContact C-N 3.28Å; Q832-L834 PolarHBondContact O-N 3.3Å
835E90.3Very high93.2Very high123 Ų12355.8 Ų55.858%0.57530%0.299SS*.Hα-helixtrans-77.8-29.3176.7-70.8-173.6154.800112.6I831 Q832 E833I831-E835 HydrophobicContact CG2-CG 4.45Å; I831-E835 WeakPolarHBondContact O-CG 3.45Å; I831-E835 PolarHBondContact O-N 3.41Å; Q832-E835 PolarHBondContact O-N 3.44Å; Q832-E835 VanDerWaalsContact O-N 3.17Å; E833-E835 VanDerWaalsContact C-N 3.35Å
836E85.3Confident93.1Very high125 Ų12551.6 Ų51.658%0.58428%0.282SS*.Hα-helixtrans-81.8-27.8178.5-70.7179.4-168.600113.8Q832 E833Q832-E836 WeakPolarHBondContact CG-OE1 3.38Å; Q832-E836 PolarHBondContact NE2-OE1 2.6Å; Q832-E836 WeakPolarHBondContact O-CG 3.46Å; Q832-E836 PolarHBondContact O-N 2.86Å; E833-E836 PolarHBondContact O-N 2.71Å
837A76.8Confident92.8Very high102 Ų10256.3 Ų56.384%0.84331%0.308SS*.  trans-71.30175.400000113.3K519 E833K519-A837 PolarHBondContact NZ-OXT 2.86Å; E833-A837 WeakPolarHBondContact O-CB 3.4Å; E833-A837 PolarHBondContact O-N 2.82Å; E833-A837 VanDerWaalsContact O-N 3.1Å

Retrieved 837 of 837 residues in 604.4 ms (Link to these results)

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