A0A077ZAX0_TRITR Loading...

Methylthioribose-1-phosphate isomerase

Catalyzes the interconversion of methylthioribose-1-phosphate (MTR-1-P) into methylthioribulose-1-phosphate (MTRu-1-P).

AlphaFold DB , UniProt , Accession A0A077ZAX0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 371 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
1M60.3Low90.7Very high205 Ų20574.5 Ų74.5100%1.0136%0.355SS*.  0128.70-174.4-178.1-73.200105.7N218M1-N218 PolarHBondContact O-ND2 3.08Å
2V77.3Confident91.3Very high53 Ų5374.9 Ų74.932%0.32136%0.356SS..PPolyproline II helixtrans-63.4143-178.1179.80000109.1S172V2-S172 WeakPolarHBondContact CG1-OG 3.35Å
3L89.4Confident91.9Very high32 Ų3269.3 Ų69.317%0.16833%0.329CS..PPolyproline II helixtrans-81.1135.5-178.5-67.9160.8000110.9S172 L173 F214 E215 N218L3-S172 WeakPolarHBondContact O-CB 3.42Å; L3-S172 PolarHBondContact O-OG 3.03Å; L3-L173 HydrophobicContact CB-CD2 4.08Å; L3-F214 HydrophobicContact CD1-CD1 3.53Å; L3-F214 HydrophobicContact CD1-CE1 3.3Å; L3-F214 HydrophobicContact CD1-CZ 4.24Å; L3-F214 HydrophobicContact CD2-CE1 4.07Å; L3-F214 HydrophobicContact CD2-CZ 4.46Å; L3-F214 HydrophobicContact CG-CE1 4.3Å; L3-E215 HydrophobicContact CD1-CG 4.1Å; L3-N218 HydrophobicContact CD1-CB 4Å; L3-N218 HydrophobicContact CG-CB 4.47Å
4D92.3Very high92.3Very high79 Ų7968.4 Ų68.442%0.42232%0.324SS..PPolyproline II helixtrans-91.9124.5176.2-54.7-42.2000110.8Y27D4-Y27 PolarHBondContact O-OH 2.99Å
5S95.4Very high92.7Very high4 Ų463.8 Ų63.83%0.02830%0.303CS..SBendtrans-82.9-27.4168.748.80000112.8V15 L16 S172 T175S5-V15 CarbonylContact O-C 3.56Å; S5-V15 WeakPolarHBondContact O-CA 3.3Å; S5-L16 PolarHBondContact O-N 3.12Å; S5-S172 PolarHBondContact OG-O 3.02Å; S5-S172 VanDerWaalsContact OG-O 3.08Å; S5-T175 PolarHBondContact OG-O 3.37Å
6I97.9Very high93.1Very high6 Ų660 Ų603%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-127.6122.6-172-58.5173.3000107.4L13 A50 M53 V54 L57 Y134I6-L13 HydrophobicContact CG2-CD1 3.67Å; I6-A50 HydrophobicContact CD1-CB 4.49Å; I6-M53 HydrophobicContact CD1-CB 3.7Å; I6-V54 HydrophobicContact CD1-CG2 3.69Å; I6-V54 HydrophobicContact CG1-CG2 3.78Å; I6-L57 HydrophobicContact CG2-CD1 3.79Å; I6-Y134 HydrophobicContact CB-CE2 4.31Å; I6-Y134 HydrophobicContact CD1-CE2 4.21Å; I6-Y134 HydrophobicContact CG2-CE2 3.96Å
7R97.3Very high93.3Very high113 Ų11357.2 Ų57.243%0.42627%0.272SS..EExtended strand (participates in β ladder)trans-112.6109.7170.2-70.6179.2179.6179.6-1.2107.7E14 Y27R7-E14 HydrophobicContact CB-CB 4.22Å; R7-E14 PolarHBondContact N-O 3.14Å; R7-E14 PolarHBondContact O-N 3.01Å; R7-Y27 VanDerWaalsContact CD-CE1 3.48Å; R7-Y27 HydrophobicContact CG-CD1 4.17Å; R7-Y27 HydrophobicContact CG-CE1 3.72Å; R7-Y27 VanDerWaalsContact NE-CE1 3.31Å; R7-Y27 PolarHBondContact NE-OH 3.01Å; R7-Y27 PolarHBondContact NH2-OH 3.3Å
8Y98Very high93.5Very high37 Ų3754.1 Ų54.115%0.14526%0.257CS..EExtended strand (participates in β ladder)trans-122.7135.3-176.9177.3-97000110.9L13 L57 V61 E131Y8-L13 HydrophobicContact CD2-CB 4.31Å; Y8-L13 HydrophobicContact CD2-CD1 4.18Å; Y8-L57 HydrophobicContact CD1-CD2 4.01Å; Y8-L57 HydrophobicContact CD2-CB 4.12Å; Y8-L57 HydrophobicContact CD2-CD1 4.2Å; Y8-L57 HydrophobicContact CD2-CD2 3.68Å; Y8-L57 HydrophobicContact CD2-CG 4.22Å; Y8-L57 HydrophobicContact CE1-CD2 4.04Å; Y8-L57 HydrophobicContact CE2-CB 4.26Å; Y8-L57 HydrophobicContact CE2-CD2 3.66Å; Y8-L57 HydrophobicContact CE2-CG 4.47Å; Y8-L57 HydrophobicContact CG-CD1 4.19Å; Y8-L57 HydrophobicContact CG-CD2 3.82Å; Y8-V61 HydrophobicContact CE2-CG2 4.28Å; Y8-E131 HydrophobicContact CE1-CG 3.76Å; Y8-E131 PolarHBondContact OH-OE1 3.25Å
9Q96.8Very high93.5Very high146 Ų14654.9 Ų54.968%0.68226%0.263SS*.EExtended strand (participates in β ladder)trans-137.5155.3162.2-65.8179.5-0.100106.8G11 H12Q9-G11 PolarHBondContact O-N 3.18Å; Q9-H12 PolarHBondContact N-O 3.27Å; Q9-H12 CarbonylContact O-C 3.44Å; Q9-H12 WeakPolarHBondContact O-CA 3.17Å; Q9-H12 PolarHBondContact O-N 3.47Å
10R97.3Very high93.6Very high126 Ų12657.6 Ų57.648%0.47527%0.27SS..THydrogen-bonded Turntrans-53.4122.8-178-174.6170.9-73.6-163.4-0.4111H12 I127 E128 E131R10-H12 VanDerWaalsContact C-N 3.34Å; R10-I127 HydrophobicContact CG-CG2 4.5Å; R10-E128 IonicContact NH2-OE1 3.17Å; R10-E131 IonicContact CZ-OE1 3.72Å; R10-E131 IonicContact CZ-OE2 2.67Å; R10-E131 IonicContact NE-OE1 2.73Å; R10-E131 PolarHBondContact NE-OE1 3.32Å; R10-E131 IonicContact NE-OE2 3.59Å; R10-E131 IonicContact NH2-OE1 3.63Å; R10-E131 PolarHBondContact NH2-OE1 2.69Å; R10-E131 IonicContact NH2-OE2 3.66Å; R10-E131 PolarHBondContact NH2-OE2 3.4Å
11G95.9Very high93.7Very high19 Ų1955 Ų5520%0.19626%0.258CS..THydrogen-bonded Turntrans82.2-1.2-176.900000116.2Q9 C64Q9-G11 PolarHBondContact O-N 3.18Å; G11-C64 PolarHBondContact N-SG 2.84Å; G11-C64 VanDerWaalsContact N-SG 3.45Å
12H98Very high95.4Very high79 Ų7947.3 Ų47.337%0.36622%0.224SC..EExtended strand (participates in β ladder)trans-139125.6-178.1-176.772.3000112.4Q9 R10 E14Q9-H12 PolarHBondContact N-O 3.27Å; Q9-H12 CarbonylContact O-C 3.44Å; Q9-H12 WeakPolarHBondContact O-CA 3.17Å; Q9-H12 PolarHBondContact O-N 3.47Å; R10-H12 VanDerWaalsContact C-N 3.34Å; H12-E14 IonicContact CD2-OE2 3.71Å; H12-E14 IonicContact CE1-OE2 3.59Å; H12-E14 WeakPolarHBondContact NE2-CG 3.26Å; H12-E14 IonicContact NE2-OE2 3.43Å; H12-E14 PolarHBondContact NE2-OE2 3.15Å
13L98.6Very high96.2Very high2 Ų252.8 Ų52.81%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-132.8128.1177.4176.263.2000109.9I6 Y8 V15 A29 I30 V54 L57 V61I6-L13 HydrophobicContact CG2-CD1 3.67Å; Y8-L13 HydrophobicContact CD2-CB 4.31Å; Y8-L13 HydrophobicContact CD2-CD1 4.18Å; L13-V15 HydrophobicContact CD1-CG1 4.49Å; L13-A29 WeakPolarHBondContact O-CA 3.22Å; L13-I30 HydrophobicContact CB-CB 4.42Å; L13-I30 HydrophobicContact CD2-CB 3.86Å; L13-I30 HydrophobicContact CD2-CG2 3.92Å; L13-I30 HydrophobicContact CG-CB 3.99Å; L13-I30 HydrophobicContact CG-CG1 4.5Å; L13-I30 PolarHBondContact O-N 2.75Å; L13-V54 HydrophobicContact CD2-CG1 4.49Å; L13-L57 HydrophobicContact CD1-CB 4.21Å; L13-L57 HydrophobicContact CD1-CD1 4.09Å; L13-L57 HydrophobicContact CD2-CB 3.81Å; L13-V61 HydrophobicContact CB-CG2 3.62Å
14E98.3Very high96.5Very high56 Ų5656.3 Ų56.326%0.26226%0.259SS..EExtended strand (participates in β ladder)trans-126.2141.4170.1-72.5174.5116.300110.2R7 H12 Y27 V28 A29R7-E14 HydrophobicContact CB-CB 4.22Å; R7-E14 PolarHBondContact N-O 3.14Å; R7-E14 PolarHBondContact O-N 3.01Å; H12-E14 IonicContact CD2-OE2 3.71Å; H12-E14 IonicContact CE1-OE2 3.59Å; H12-E14 WeakPolarHBondContact NE2-CG 3.26Å; H12-E14 IonicContact NE2-OE2 3.43Å; H12-E14 PolarHBondContact NE2-OE2 3.15Å; E14-Y27 HydrophobicContact CB-CD1 4.3Å; E14-V28 WeakPolarHBondContact CA-O 3.27Å; E14-A29 HydrophobicContact CG-CB 4.41Å
15V98.3Very high96.7Very high0 Ų055.9 Ų55.90%026%0.262CS..EExtended strand (participates in β ladder)trans-121.7141.8176.9-58.50000110.5S5 L13 D17 Y27 V28 I30 V45 V54S5-V15 CarbonylContact O-C 3.56Å; S5-V15 WeakPolarHBondContact O-CA 3.3Å; L13-V15 HydrophobicContact CD1-CG1 4.49Å; V15-D17 PolarHBondContact O-N 3.27Å; V15-Y27 CarbonylContact O-C 3.47Å; V15-Y27 WeakPolarHBondContact O-CA 3.43Å; V15-V28 PolarHBondContact N-O 2.88Å; V15-V28 PolarHBondContact O-N 2.66Å; V15-I30 HydrophobicContact CB-CG1 4.38Å; V15-I30 HydrophobicContact CG1-CG1 3.84Å; V15-I30 HydrophobicContact CG2-CD1 3.82Å; V15-I30 HydrophobicContact CG2-CG1 3.71Å; V15-V45 HydrophobicContact CB-CG2 3.84Å; V15-V45 HydrophobicContact CG1-CG2 4.04Å; V15-V45 HydrophobicContact CG2-CG2 3.78Å; V15-V54 HydrophobicContact CG1-CB 4.45Å; V15-V54 HydrophobicContact CG1-CG1 3.97Å; V15-V54 HydrophobicContact CG1-CG2 3.58Å
16L97.8Very high96.8Very high3 Ų357.9 Ų57.92%0.01627%0.274CS..EExtended strand (participates in β ladder)trans-67.3126.9173.7-176.964.1000109.8S5 Q18 L21 Y27 L173S5-L16 PolarHBondContact O-N 3.12Å; L16-Q18 PolarHBondContact O-N 3.42Å; L16-L21 HydrophobicContact CD2-CD1 3.82Å; L16-L21 HydrophobicContact CD2-CG 4.48Å; L16-L21 HydrophobicContact CG-CD1 4.47Å; L16-Y27 HydrophobicContact CB-CD1 4.35Å; L16-Y27 HydrophobicContact CB-CE1 3.98Å; L16-Y27 HydrophobicContact CD1-CD2 4.23Å; L16-Y27 HydrophobicContact CD1-CE1 4.45Å; L16-Y27 HydrophobicContact CD1-CE2 3.87Å; L16-L173 HydrophobicContact CD2-CD2 3.64Å
17D97.4Very high96.8Very high13 Ų1360 Ų607%0.0728%0.282CS..  trans-7490174.9-167.1-26.7000111V15 L19 R20 V26 V28 R44V15-D17 PolarHBondContact O-N 3.27Å; D17-L19 PolarHBondContact O-N 3.29Å; D17-L19 VanDerWaalsContact O-N 3.09Å; D17-L19 WeakPolarHBondContact OD1-CA 3.41Å; D17-L19 WeakPolarHBondContact OD1-CB 3.4Å; D17-L19 PolarHBondContact OD1-N 2.87Å; D17-R20 HydrophobicContact CB-CG 4.25Å; D17-R20 PolarHBondContact O-N 3.24Å; D17-V26 WeakPolarHBondContact CB-O 3.44Å; D17-V26 PolarHBondContact N-O 3.49Å; D17-V28 HydrophobicContact CB-CG2 4.18Å; D17-R44 HydrophobicContact CB-CG 3.92Å; D17-R44 IonicContact OD1-NE 3.66Å; D17-R44 IonicContact OD2-CZ 3.76Å; D17-R44 IonicContact OD2-NE 2.84Å; D17-R44 PolarHBondContact OD2-NE 3.1Å; D17-R44 IonicContact OD2-NH2 3.79Å
18Q96.6Very high96.8Very high1 Ų156.4 Ų56.41%0.00527%0.272CS..THydrogen-bonded Turntrans-66.1-12.1-178.7-57-17621.100113.2L16 R20 R44 L173 R210 L211L16-Q18 PolarHBondContact O-N 3.42Å; Q18-R20 PolarHBondContact O-N 2.91Å; Q18-R44 WeakPolarHBondContact CB-O 3.37Å; Q18-R44 VanDerWaalsContact CG-O 3.31Å; Q18-R44 WeakPolarHBondContact CG-O 3.48Å; Q18-R44 PolarHBondContact N-O 3.2Å; Q18-L173 PolarHBondContact NE2-O 3.37Å; Q18-R210 PolarHBondContact O-NH2 3.24Å; Q18-L211 HydrophobicContact CB-CD2 4.14Å
19L94.5Very high96.8Very high70 Ų7056.8 Ų56.837%0.36628%0.283SS..THydrogen-bonded Turntrans-70.3-25.3173-59.7167.5000111.5D17 V42 M43 R210D17-L19 PolarHBondContact O-N 3.29Å; D17-L19 VanDerWaalsContact O-N 3.09Å; D17-L19 WeakPolarHBondContact OD1-CA 3.41Å; D17-L19 WeakPolarHBondContact OD1-CB 3.4Å; D17-L19 PolarHBondContact OD1-N 2.87Å; L19-V42 HydrophobicContact CD1-CG2 4.3Å; L19-M43 HydrophobicContact CD2-CB 4.47Å; L19-R210 PolarHBondContact O-NH2 3.45Å
20R95.1Very high96.9Very high107 Ų10749.9 Ų49.940%0.40425%0.251SS..THydrogen-bonded Turntrans-92.3-12.3-177.4-59.1-167.865172.1-1.7114.5D17 Q18 F23 H24D17-R20 HydrophobicContact CB-CG 4.25Å; D17-R20 PolarHBondContact O-N 3.24Å; Q18-R20 PolarHBondContact O-N 2.91Å; R20-F23 PolarHBondContact O-N 3.22Å; R20-H24 CarbonylContact C-O 3.57Å; R20-H24 HydrophobicContact CB-CB 4.18Å; R20-H24 WeakPolarHBondContact CB-O 3.19Å; R20-H24 PolarHBondContact O-N 2.96Å
21L96.3Very high96.9Very high3 Ų347.5 Ų47.52%0.01625%0.251CS..THydrogen-bonded Turntrans-70.2147.2171.9-67.5-179.3000111.9L16 L173 R210 L211 F214L16-L21 HydrophobicContact CD2-CD1 3.82Å; L16-L21 HydrophobicContact CD2-CG 4.48Å; L16-L21 HydrophobicContact CG-CD1 4.47Å; L21-L173 HydrophobicContact CD1-CD1 3.57Å; L21-R210 PolarHBondContact O-NE 3.09Å; L21-L211 HydrophobicContact CB-CD2 3.87Å; L21-L211 HydrophobicContact CD1-CD2 3.68Å; L21-L211 HydrophobicContact CG-CD2 4.42Å; L21-F214 HydrophobicContact CD1-CD1 4.11Å; L21-F214 HydrophobicContact CD1-CE1 4.25Å; L21-F214 HydrophobicContact CD2-CD1 4.1Å; L21-F214 HydrophobicContact CD2-CE1 3.7Å; L21-F214 HydrophobicContact CD2-CE2 4.31Å; L21-F214 HydrophobicContact CD2-CZ 3.84Å
22P95.1Very high97Very high45 Ų4547.7 Ų47.729%0.29225%0.249SC..THydrogen-bonded Turncis-88.3-1.96.435-36.9000115F214P22-F214 HydrophobicContact CB-CB 4.19Å; P22-F214 HydrophobicContact CB-CD2 3.88Å; P22-F214 HydrophobicContact CB-CG 4.34Å
23F94.7Very high96.9Very high168 Ų16844.2 Ų44.274%0.73723%0.233SC*.THydrogen-bonded Turntrans-83.5-30.8-166.8-55.6-67.8000114.5R20R20-F23 PolarHBondContact O-N 3.22Å
24H95.6Very high96.9Very high105 Ų10549 Ų4949%0.48626%0.259SS..  trans-136128.3178.1-54-71.4000111.1R20 V26R20-H24 CarbonylContact C-O 3.57Å; R20-H24 HydrophobicContact CB-CB 4.18Å; R20-H24 WeakPolarHBondContact CB-O 3.19Å; R20-H24 PolarHBondContact O-N 2.96Å; H24-V26 HydrophobicContact CB-CG2 4.11Å
25S95.9Very high96.8Very high71 Ų7148.8 Ų48.850%0.49726%0.258SS..  trans-94.8100.1169.8-65.60000109
26V97.3Very high96.8Very high45 Ų4548.8 Ų48.827%0.27326%0.258SS..  trans-124.9128.4-177175.30000109.1D17 H24D17-V26 WeakPolarHBondContact CB-O 3.44Å; D17-V26 PolarHBondContact N-O 3.49Å; H24-V26 HydrophobicContact CB-CG2 4.11Å
27Y98.1Very high96.8Very high51 Ų5149.2 Ų49.220%0.226%0.26CS..EExtended strand (participates in β ladder)trans-94.1142.6175.6-72.5-96.4000110.2D4 R7 E14 V15 L16D4-Y27 PolarHBondContact O-OH 2.99Å; R7-Y27 VanDerWaalsContact CD-CE1 3.48Å; R7-Y27 HydrophobicContact CG-CD1 4.17Å; R7-Y27 HydrophobicContact CG-CE1 3.72Å; R7-Y27 VanDerWaalsContact NE-CE1 3.31Å; R7-Y27 PolarHBondContact NE-OH 3.01Å; R7-Y27 PolarHBondContact NH2-OH 3.3Å; E14-Y27 HydrophobicContact CB-CD1 4.3Å; V15-Y27 CarbonylContact O-C 3.47Å; V15-Y27 WeakPolarHBondContact O-CA 3.43Å; L16-Y27 HydrophobicContact CB-CD1 4.35Å; L16-Y27 HydrophobicContact CB-CE1 3.98Å; L16-Y27 HydrophobicContact CD1-CD2 4.23Å; L16-Y27 HydrophobicContact CD1-CE1 4.45Å; L16-Y27 HydrophobicContact CD1-CE2 3.87Å
28V97.8Very high96.7Very high37 Ų3755.2 Ų55.222%0.22428%0.282CS..EExtended strand (participates in β ladder)trans-123.1128.8177.8-176.50000108.4E14 V15 D17E14-V28 WeakPolarHBondContact CA-O 3.27Å; V15-V28 PolarHBondContact N-O 2.88Å; V15-V28 PolarHBondContact O-N 2.66Å; D17-V28 HydrophobicContact CB-CG2 4.18Å
29A98.2Very high96.8Very high45 Ų4555.2 Ų55.237%0.37228%0.282SS..EExtended strand (participates in β ladder)trans-65.7134.617500000110.8L13 E14 T31L13-A29 WeakPolarHBondContact O-CA 3.22Å; E14-A29 HydrophobicContact CG-CB 4.41Å; A29-T31 HydrophobicContact CB-CG2 4.32Å
30I98.3Very high96.8Very high1 Ų151.9 Ų51.91%0.00526%0.264CS..  trans-111.399.8172.1-57-59.1000106.7L13 V15 E35 A36 A39L13-I30 HydrophobicContact CB-CB 4.42Å; L13-I30 HydrophobicContact CD2-CB 3.86Å; L13-I30 HydrophobicContact CD2-CG2 3.92Å; L13-I30 HydrophobicContact CG-CB 3.99Å; L13-I30 HydrophobicContact CG-CG1 4.5Å; L13-I30 PolarHBondContact O-N 2.75Å; V15-I30 HydrophobicContact CB-CG1 4.38Å; V15-I30 HydrophobicContact CG1-CG1 3.84Å; V15-I30 HydrophobicContact CG2-CD1 3.82Å; V15-I30 HydrophobicContact CG2-CG1 3.71Å; I30-E35 HydrophobicContact CD1-CB 4.37Å; I30-E35 HydrophobicContact CG2-CB 4.18Å; I30-A36 HydrophobicContact CG2-CB 3.8Å; I30-A39 HydrophobicContact CD1-CB 3.85Å
31T97Very high96.7Very high77 Ų7754 Ų5447%0.47227%0.272SS..  trans-97.7-9.2-172.753.90000113.8A29A29-T31 HydrophobicContact CB-CG2 4.32Å
32S97.3Very high96.6Very high22 Ų2257.6 Ų57.615%0.15429%0.294CS..SBendtrans-149.5163.1-176.461.80000112.7D34 E35 A36 E62S32-D34 VanDerWaalsContact C-N 3.26Å; S32-D34 PolarHBondContact O-N 3.29Å; S32-E35 PolarHBondContact O-N 2.77Å; S32-E35 WeakPolarHBondContact OG-CG 3.41Å; S32-E35 PolarHBondContact OG-N 3.04Å; S32-E35 VanDerWaalsContact OG-N 3.09Å; S32-A36 PolarHBondContact O-N 2.69Å; S32-A36 VanDerWaalsContact O-N 3.1Å; S32-E62 WeakPolarHBondContact CA-OE1 3.44Å; S32-E62 WeakPolarHBondContact CB-OE1 3.45Å
33V97.5Very high96.5Very high6 Ų656.7 Ų56.74%0.03629%0.287CS..Hα-helixtrans-61.7-37.3170.9168.90000110.8E35 A36 I37 I59 E62 A81 L85V33-E35 PolarHBondContact O-N 3.01Å; V33-A36 WeakPolarHBondContact O-CB 3.31Å; V33-A36 PolarHBondContact O-N 2.95Å; V33-I37 HydrophobicContact CG1-CD1 3.9Å; V33-I37 HydrophobicContact CG1-CG1 4.41Å; V33-I37 WeakPolarHBondContact O-CG1 3.31Å; V33-I37 PolarHBondContact O-N 2.82Å; V33-I59 HydrophobicContact CG2-CB 4.45Å; V33-I59 HydrophobicContact CG2-CG1 3.67Å; V33-E62 WeakPolarHBondContact CB-OE2 3.33Å; V33-E62 WeakPolarHBondContact CG2-OE2 3.45Å; V33-E62 VanDerWaalsContact N-CD 3.26Å; V33-E62 PolarHBondContact N-OE1 3.16Å; V33-E62 VanDerWaalsContact N-OE1 3.15Å; V33-E62 PolarHBondContact N-OE2 2.94Å; V33-A81 HydrophobicContact CG1-CB 4.17Å; V33-A81 HydrophobicContact CG2-CB 4.04Å; V33-L85 HydrophobicContact CG1-CD1 4.28Å; V33-L85 HydrophobicContact CG1-CD2 4.42Å; V33-L85 HydrophobicContact CG1-CG 4.07Å
34D97.4Very high96.5Very high103 Ų10351.4 Ų51.455%0.55126%0.261SS*.Hα-helixtrans-61.2-41.4175.1-80.2-21.4000112.4S32 I37 R38S32-D34 VanDerWaalsContact C-N 3.26Å; S32-D34 PolarHBondContact O-N 3.29Å; D34-I37 PolarHBondContact O-N 2.81Å; D34-R38 WeakPolarHBondContact O-CG 3.49Å; D34-R38 PolarHBondContact O-N 2.94Å
35E97.5Very high96.5Very high51 Ų5146.5 Ų46.524%0.23824%0.239CC..Hα-helixtrans-65.3-38.8174.5-77.9-64.2172.200112.2I30 S32 V33 R38 A39I30-E35 HydrophobicContact CD1-CB 4.37Å; I30-E35 HydrophobicContact CG2-CB 4.18Å; S32-E35 PolarHBondContact O-N 2.77Å; S32-E35 WeakPolarHBondContact OG-CG 3.41Å; S32-E35 PolarHBondContact OG-N 3.04Å; S32-E35 VanDerWaalsContact OG-N 3.09Å; V33-E35 PolarHBondContact O-N 3.01Å; E35-R38 PolarHBondContact O-N 3.04Å; E35-R38 IonicContact OE1-CZ 3.65Å; E35-R38 IonicContact OE1-NE 3.94Å; E35-R38 IonicContact OE1-NH2 3.4Å; E35-R38 PolarHBondContact OE1-NH2 3.1Å; E35-R38 IonicContact OE2-CZ 3.98Å; E35-R38 IonicContact OE2-NE 3.93Å; E35-R38 PolarHBondContact OE2-NE 2.84Å; E35-R38 IonicContact OE2-NH2 3.72Å; E35-A39 WeakPolarHBondContact O-CB 3.05Å; E35-A39 PolarHBondContact O-N 3.49Å
36A98Very high96.5Very high0 Ų043.5 Ų43.50%022%0.217CC..Hα-helixtrans-62.2-47.7175.100000111.2I30 S32 V33 R38 A39 I40 V54 S58 L85I30-A36 HydrophobicContact CG2-CB 3.8Å; S32-A36 PolarHBondContact O-N 2.69Å; S32-A36 VanDerWaalsContact O-N 3.1Å; V33-A36 WeakPolarHBondContact O-CB 3.31Å; V33-A36 PolarHBondContact O-N 2.95Å; A36-R38 VanDerWaalsContact C-N 3.31Å; A36-R38 PolarHBondContact O-N 2.83Å; A36-A39 PolarHBondContact O-N 3.39Å; A36-I40 WeakPolarHBondContact O-CB 3.3Å; A36-I40 WeakPolarHBondContact O-CD1 3.4Å; A36-I40 VanDerWaalsContact O-CG1 3.24Å; A36-I40 WeakPolarHBondContact O-CG1 3.49Å; A36-I40 PolarHBondContact O-N 2.94Å; A36-V54 HydrophobicContact CB-CG1 4.19Å; A36-S58 WeakPolarHBondContact CB-OG 3.4Å; A36-L85 HydrophobicContact CB-CD2 4.43Å
37I97Very high96.3Very high13 Ų1342 Ų427%0.06721%0.211CC..Hα-helixtrans-58.5-44.5176.7-69167.7000110.5V33 D34 I40 R41 L84 L85 A88V33-I37 HydrophobicContact CG1-CD1 3.9Å; V33-I37 HydrophobicContact CG1-CG1 4.41Å; V33-I37 WeakPolarHBondContact O-CG1 3.31Å; V33-I37 PolarHBondContact O-N 2.82Å; D34-I37 PolarHBondContact O-N 2.81Å; I37-I40 PolarHBondContact O-N 2.74Å; I37-R41 HydrophobicContact CG2-CG 4.31Å; I37-R41 WeakPolarHBondContact O-CB 3.48Å; I37-R41 VanDerWaalsContact O-CG 3.32Å; I37-R41 WeakPolarHBondContact O-CG 3.34Å; I37-R41 PolarHBondContact O-N 3.47Å; I37-L84 HydrophobicContact CD1-CB 3.73Å; I37-L85 HydrophobicContact CG1-CD2 3.76Å; I37-L85 HydrophobicContact CG1-CG 4.35Å; I37-A88 HydrophobicContact CG2-CB 4.34Å
38R96.6Very high96.1Very high139 Ų13939.7 Ų39.753%0.52520%0.202SC..Hα-helixtrans-59-51.4175.1-76.5-165.7-73.5-134.9-9.7111.4D34 E35 A36 I40 R41 V42D34-R38 WeakPolarHBondContact O-CG 3.49Å; D34-R38 PolarHBondContact O-N 2.94Å; E35-R38 PolarHBondContact O-N 3.04Å; E35-R38 IonicContact OE1-CZ 3.65Å; E35-R38 IonicContact OE1-NE 3.94Å; E35-R38 IonicContact OE1-NH2 3.4Å; E35-R38 PolarHBondContact OE1-NH2 3.1Å; E35-R38 IonicContact OE2-CZ 3.98Å; E35-R38 IonicContact OE2-NE 3.93Å; E35-R38 PolarHBondContact OE2-NE 2.84Å; E35-R38 IonicContact OE2-NH2 3.72Å; A36-R38 VanDerWaalsContact C-N 3.31Å; A36-R38 PolarHBondContact O-N 2.83Å; R38-I40 VanDerWaalsContact C-N 3.31Å; R38-I40 PolarHBondContact O-N 2.9Å; R38-R41 PolarHBondContact O-N 3.1Å; R38-V42 WeakPolarHBondContact O-CG2 3Å; R38-V42 PolarHBondContact O-N 2.85Å
39A97.1Very high96Very high0 Ų038.4 Ų38.40%020%0.195CC..Hα-helixtrans-59.2-40.1-179.800000112.5I30 E35 A36 M43 R44 V45I30-A39 HydrophobicContact CD1-CB 3.85Å; E35-A39 WeakPolarHBondContact O-CB 3.05Å; E35-A39 PolarHBondContact O-N 3.49Å; A36-A39 PolarHBondContact O-N 3.39Å; A39-M43 PolarHBondContact O-N 3.3Å; A39-R44 HydrophobicContact CB-CB 4.13Å; A39-R44 WeakPolarHBondContact O-CA 3.43Å; A39-R44 WeakPolarHBondContact O-CB 3.41Å; A39-R44 PolarHBondContact O-N 2.97Å; A39-V45 HydrophobicContact CB-CG2 4.4Å; A39-V45 PolarHBondContact O-N 3Å
40I96Very high95.9Very high0 Ų036.2 Ų36.20%018%0.177CC..Hα-helixtrans-68.8-46.1177.4-70.9161.8000111.2A36 I37 R38 M43 V45 I51 L85 A88 R89A36-I40 WeakPolarHBondContact O-CB 3.3Å; A36-I40 WeakPolarHBondContact O-CD1 3.4Å; A36-I40 VanDerWaalsContact O-CG1 3.24Å; A36-I40 WeakPolarHBondContact O-CG1 3.49Å; A36-I40 PolarHBondContact O-N 2.94Å; I37-I40 PolarHBondContact O-N 2.74Å; R38-I40 VanDerWaalsContact C-N 3.31Å; R38-I40 PolarHBondContact O-N 2.9Å; I40-M43 PolarHBondContact O-N 3.38Å; I40-M43 VanDerWaalsContact O-N 3.15Å; I40-V45 HydrophobicContact CG1-CB 4.38Å; I40-I51 HydrophobicContact CD1-CG2 4.09Å; I40-I51 HydrophobicContact CG1-CG2 4.31Å; I40-I51 HydrophobicContact CG2-CG1 4.26Å; I40-I51 HydrophobicContact CG2-CG2 3.95Å; I40-L85 HydrophobicContact CD1-CD2 4.26Å; I40-A88 HydrophobicContact CG2-CB 4.16Å; I40-R89 HydrophobicContact CG2-CB 4.49Å; I40-R89 VanDerWaalsContact CG2-CD 3.5Å; I40-R89 HydrophobicContact CG2-CG 3.63Å
41R92.8Very high95.9Very high152 Ų15236.3 Ų36.357%0.57418%0.177SC*.Hα-helixtrans-64-42.4-178.6-78.6-179.4174.41712.1112.4I37 R38 M43 A88I37-R41 HydrophobicContact CG2-CG 4.31Å; I37-R41 WeakPolarHBondContact O-CB 3.48Å; I37-R41 VanDerWaalsContact O-CG 3.32Å; I37-R41 WeakPolarHBondContact O-CG 3.34Å; I37-R41 PolarHBondContact O-N 3.47Å; R38-R41 PolarHBondContact O-N 3.1Å; R41-M43 PolarHBondContact O-N 3.35Å; R41-A88 HydrophobicContact CG-CB 4.4Å
42V92.7Very high95.9Very high79 Ų7932.7 Ų32.748%0.47916%0.155SC..THydrogen-bonded Turntrans-802.9177.9-52.70000113.3L19 R38 R44L19-V42 HydrophobicContact CD1-CG2 4.3Å; R38-V42 WeakPolarHBondContact O-CG2 3Å; R38-V42 PolarHBondContact O-N 2.85Å; V42-R44 VanDerWaalsContact C-N 3.26Å; V42-R44 HydrophobicContact CG2-CB 4.07Å; V42-R44 PolarHBondContact O-N 3.31Å
43M93Very high95.9Very high26 Ų2632 Ų3213%0.12815%0.149CC..THydrogen-bonded Turntrans61.826.7-176.4-51.8-169.5-60.300114.6L19 A39 I40 R41 V45 R46 V205 R300L19-M43 HydrophobicContact CD2-CB 4.47Å; A39-M43 PolarHBondContact O-N 3.3Å; I40-M43 PolarHBondContact O-N 3.38Å; I40-M43 VanDerWaalsContact O-N 3.15Å; R41-M43 PolarHBondContact O-N 3.35Å; M43-V45 PolarHBondContact O-N 3.44Å; M43-R46 VanDerWaalsContact O-CZ 3.27Å; M43-R46 PolarHBondContact O-NE 3.38Å; M43-R46 VanDerWaalsContact O-NE 3.12Å; M43-R46 PolarHBondContact O-NH2 2.99Å; M43-V205 HydrophobicContact CE-CG1 4.15Å; M43-V205 HydrophobicContact CE-CG2 4.02Å; M43-R300 VanDerWaalsContact SD-CZ 3.52Å; M43-R300 PolarHBondContact SD-NH1 3.45Å
44R95.8Very high95.9Very high56 Ų5631.7 Ų31.721%0.21115%0.148CC..SBendtrans-60.6-39.1164.8-171.6178.2-74.4142.3-3110D17 Q18 A39 V42D17-R44 HydrophobicContact CB-CG 3.92Å; D17-R44 IonicContact OD1-NE 3.66Å; D17-R44 IonicContact OD2-CZ 3.76Å; D17-R44 IonicContact OD2-NE 2.84Å; D17-R44 PolarHBondContact OD2-NE 3.1Å; D17-R44 IonicContact OD2-NH2 3.79Å; Q18-R44 WeakPolarHBondContact CB-O 3.37Å; Q18-R44 VanDerWaalsContact CG-O 3.31Å; Q18-R44 WeakPolarHBondContact CG-O 3.48Å; Q18-R44 PolarHBondContact N-O 3.2Å; A39-R44 HydrophobicContact CB-CB 4.13Å; A39-R44 WeakPolarHBondContact O-CA 3.43Å; A39-R44 WeakPolarHBondContact O-CB 3.41Å; A39-R44 PolarHBondContact O-N 2.97Å; V42-R44 VanDerWaalsContact C-N 3.26Å; V42-R44 HydrophobicContact CG2-CB 4.07Å; V42-R44 PolarHBondContact O-N 3.31Å
45V96.2Very high96Very high3 Ų326.8 Ų26.82%0.01812%0.121CC..SBendtrans-112.8137.4169.61800000109V15 A39 I40 M43 A50 I51 V54V15-V45 HydrophobicContact CB-CG2 3.84Å; V15-V45 HydrophobicContact CG1-CG2 4.04Å; V15-V45 HydrophobicContact CG2-CG2 3.78Å; A39-V45 HydrophobicContact CB-CG2 4.4Å; A39-V45 PolarHBondContact O-N 3Å; I40-V45 HydrophobicContact CG1-CB 4.38Å; M43-V45 PolarHBondContact O-N 3.44Å; V45-A50 HydrophobicContact CG1-CB 4.13Å; V45-I51 HydrophobicContact CG1-CG1 4.48Å; V45-V54 HydrophobicContact CG1-CB 4.21Å; V45-V54 HydrophobicContact CG1-CG2 3.82Å; V45-V54 HydrophobicContact CG2-CG1 4.3Å; V45-V54 HydrophobicContact CG2-CG2 4.1Å
46R94.5Very high96Very high7 Ų724.4 Ų24.43%0.02611%0.11CC..  trans-154.9167.6178.168.6-167.178.8173.26.8110.4M43 Q207M43-R46 VanDerWaalsContact O-CZ 3.27Å; M43-R46 PolarHBondContact O-NE 3.38Å; M43-R46 VanDerWaalsContact O-NE 3.12Å; M43-R46 PolarHBondContact O-NH2 2.99Å; R46-Q207 VanDerWaalsContact CD-NE2 3.31Å
47G93.3Very high96Very high15 Ų1524.4 Ų24.416%0.15511%0.11CC..SBendtrans94.5125.9-166.900000109.2P49 A50 I51G47-P49 VanDerWaalsContact C-N 3.33Å; G47-A50 PolarHBondContact O-N 2.85Å; G47-I51 WeakPolarHBondContact O-CB 3.43Å; G47-I51 WeakPolarHBondContact O-CD1 3.44Å; G47-I51 VanDerWaalsContact O-CG1 3.3Å; G47-I51 WeakPolarHBondContact O-CG1 3.41Å; G47-I51 PolarHBondContact O-N 2.89Å
48A93.5Very high96.1Very high2 Ų223.8 Ų23.82%0.01711%0.107CC..Hα-helixtrans-55.4-43.2-172.900000112.9A52 A92 N94A48-A52 PolarHBondContact O-N 3.35Å; A48-A92 HydrophobicContact CB-CB 3.67Å; A48-N94 HydrophobicContact CB-CB 4.45Å; A48-N94 WeakPolarHBondContact CB-OD1 3.37Å; A48-N94 WeakPolarHBondContact O-CB 3.3Å
49P96.4Very high96.2Very high9 Ų917.1 Ų17.16%0.0588%0.082CC..Hα-helixtrans-64.4-49.2174.7-22.435.5000113.1G47 I51 A52 M53 T175 P281G47-P49 VanDerWaalsContact C-N 3.33Å; P49-I51 VanDerWaalsContact C-N 3.33Å; P49-I51 PolarHBondContact O-N 2.99Å; P49-A52 WeakPolarHBondContact O-CB 3.31Å; P49-A52 PolarHBondContact O-N 2.91Å; P49-A52 VanDerWaalsContact O-N 3.08Å; P49-M53 WeakPolarHBondContact O-CG 3.4Å; P49-M53 PolarHBondContact O-N 2.95Å; P49-T175 HydrophobicContact CB-CG2 4.07Å; P49-T175 HydrophobicContact CG-CG2 4.08Å; P49-P281 HydrophobicContact CG-CG 4.36Å
50A97Very high96.3Very high0 Ų017.1 Ų17.10%08%0.082CC..Hα-helixtrans-61.3-37.6178.800000113.4I6 V45 G47 A52 M53 V54 A174I6-A50 HydrophobicContact CD1-CB 4.49Å; V45-A50 HydrophobicContact CG1-CB 4.13Å; G47-A50 PolarHBondContact O-N 2.85Å; A50-A52 VanDerWaalsContact C-N 3.32Å; A50-A52 PolarHBondContact O-N 3.16Å; A50-M53 PolarHBondContact O-N 3.21Å; A50-V54 WeakPolarHBondContact O-CB 3.46Å; A50-V54 WeakPolarHBondContact O-CG2 3.26Å; A50-V54 PolarHBondContact O-N 3.45Å; A50-A174 VanDerWaalsContact CB-C 3.45Å; A50-A174 WeakPolarHBondContact CB-O 3.33Å; A50-A174 PolarHBondContact N-O 3.08Å; A50-A174 VanDerWaalsContact N-O 3.08Å
51I96.9Very high96.4Very high3 Ų317.2 Ų17.22%0.0158%0.082CC..Hα-helixtrans-59.1-46.1173.9-72.2160000110.3I40 V45 G47 P49 G55 A92 I95I40-I51 HydrophobicContact CD1-CG2 4.09Å; I40-I51 HydrophobicContact CG1-CG2 4.31Å; I40-I51 HydrophobicContact CG2-CG1 4.26Å; I40-I51 HydrophobicContact CG2-CG2 3.95Å; V45-I51 HydrophobicContact CG1-CG1 4.48Å; G47-I51 WeakPolarHBondContact O-CB 3.43Å; G47-I51 WeakPolarHBondContact O-CD1 3.44Å; G47-I51 VanDerWaalsContact O-CG1 3.3Å; G47-I51 WeakPolarHBondContact O-CG1 3.41Å; G47-I51 PolarHBondContact O-N 2.89Å; P49-I51 VanDerWaalsContact C-N 3.33Å; P49-I51 PolarHBondContact O-N 2.99Å; I51-G55 PolarHBondContact O-N 3.32Å; I51-A92 HydrophobicContact CD1-CB 4.23Å; I51-I95 HydrophobicContact CG2-CD1 4.19Å
52A97.2Very high96.6Very high0 Ų012.1 Ų12.10%07%0.065CC..Hα-helixtrans-62.6-48.5178.100000111.4A48 P49 A50 G55 I56 N94 I95A48-A52 PolarHBondContact O-N 3.35Å; P49-A52 WeakPolarHBondContact O-CB 3.31Å; P49-A52 PolarHBondContact O-N 2.91Å; P49-A52 VanDerWaalsContact O-N 3.08Å; A50-A52 VanDerWaalsContact C-N 3.32Å; A50-A52 PolarHBondContact O-N 3.16Å; A52-G55 PolarHBondContact O-N 3.34Å; A52-I56 WeakPolarHBondContact O-CG1 3.49Å; A52-I56 PolarHBondContact O-N 2.92Å; A52-N94 HydrophobicContact CB-CB 3.73Å; A52-I95 HydrophobicContact CB-CB 4.11Å
53M98.1Very high96.8Very high8 Ų88.4 Ų8.44%0.0394%0.042CC..Hα-helixtrans-62.5-49.9-178.2-65.4-49.2100.500112.1I6 P49 A50 G55 I56 L57 I133 Y134 D137I6-M53 HydrophobicContact CD1-CB 3.7Å; P49-M53 WeakPolarHBondContact O-CG 3.4Å; P49-M53 PolarHBondContact O-N 2.95Å; A50-M53 PolarHBondContact O-N 3.21Å; M53-G55 VanDerWaalsContact C-N 3.26Å; M53-G55 PolarHBondContact O-N 3.26Å; M53-I56 HydrophobicContact CE-CD1 4.03Å; M53-I56 WeakPolarHBondContact O-CG1 3.38Å; M53-I56 PolarHBondContact O-N 3.36Å; M53-I56 HydrophobicContact SD-CD1 4.17Å; M53-L57 VanDerWaalsContact O-CB 3.25Å; M53-L57 WeakPolarHBondContact O-CB 3.44Å; M53-L57 WeakPolarHBondContact O-CD1 3.37Å; M53-L57 WeakPolarHBondContact O-CG 3.24Å; M53-L57 PolarHBondContact O-N 2.97Å; M53-I133 HydrophobicContact CE-CG2 3.82Å; M53-I133 HydrophobicContact SD-CG2 4.23Å; M53-Y134 HydrophobicContact CB-CD2 4.01Å; M53-Y134 HydrophobicContact CB-CE2 4.44Å; M53-Y134 HydrophobicContact CG-CD2 4Å; M53-Y134 HydrophobicContact SD-CD2 4.06Å; M53-D137 HydrophobicContact CE-CB 4.44Å; M53-D137 HydrophobicContact CG-CB 4.33Å; M53-D137 HydrophobicContact SD-CB 3.83Å
54V98.3Very high96.9Very high0 Ų09.6 Ų9.60%05%0.053CC..Hα-helixtrans-61-38.8176.8172.20000111.2I6 L13 V15 A36 V45 A50 S58I6-V54 HydrophobicContact CD1-CG2 3.69Å; I6-V54 HydrophobicContact CG1-CG2 3.78Å; L13-V54 HydrophobicContact CD2-CG1 4.49Å; V15-V54 HydrophobicContact CG1-CB 4.45Å; V15-V54 HydrophobicContact CG1-CG1 3.97Å; V15-V54 HydrophobicContact CG1-CG2 3.58Å; A36-V54 HydrophobicContact CB-CG1 4.19Å; V45-V54 HydrophobicContact CG1-CB 4.21Å; V45-V54 HydrophobicContact CG1-CG2 3.82Å; V45-V54 HydrophobicContact CG2-CG1 4.3Å; V45-V54 HydrophobicContact CG2-CG2 4.1Å; A50-V54 WeakPolarHBondContact O-CB 3.46Å; A50-V54 WeakPolarHBondContact O-CG2 3.26Å; A50-V54 PolarHBondContact O-N 3.45Å; V54-S58 WeakPolarHBondContact O-CB 3.34Å; V54-S58 PolarHBondContact O-N 2.93Å; V54-S58 PolarHBondContact O-OG 3.22Å
55G98Very high96.8Very high0 Ų013.5 Ų13.50%07%0.071CC..Hα-helixtrans-57.2-59.2174.800000112.4I51 A52 M53 L57 S58 L85I51-G55 PolarHBondContact O-N 3.32Å; A52-G55 PolarHBondContact O-N 3.34Å; M53-G55 VanDerWaalsContact C-N 3.26Å; M53-G55 PolarHBondContact O-N 3.26Å; G55-L57 PolarHBondContact O-N 2.84Å; G55-S58 PolarHBondContact O-N 3.47Å; G55-S58 PolarHBondContact O-OG 2.87Å; G55-L85 WeakPolarHBondContact O-CD1 3.36Å
56I98.2Very high96.7Very high0 Ų014.9 Ų14.90%08%0.083CC..Hα-helixtrans-68.4-36.1-17764.7176000112.6A52 M53 S58 I59 A60 L82 A98 L102 I130 I133A52-I56 WeakPolarHBondContact O-CG1 3.49Å; A52-I56 PolarHBondContact O-N 2.92Å; M53-I56 HydrophobicContact CE-CD1 4.03Å; M53-I56 WeakPolarHBondContact O-CG1 3.38Å; M53-I56 PolarHBondContact O-N 3.36Å; M53-I56 HydrophobicContact SD-CD1 4.17Å; I56-S58 VanDerWaalsContact C-N 3.27Å; I56-S58 PolarHBondContact O-N 3.18Å; I56-I59 WeakPolarHBondContact O-CB 3.31Å; I56-I59 PolarHBondContact O-N 3.04Å; I56-I59 VanDerWaalsContact O-N 3.13Å; I56-A60 PolarHBondContact O-N 3.31Å; I56-L82 HydrophobicContact CG2-CD2 4.12Å; I56-A98 HydrophobicContact CG2-CB 3.95Å; I56-L102 HydrophobicContact CB-CD1 4.12Å; I56-L102 HydrophobicContact CG2-CD1 3.65Å; I56-I130 HydrophobicContact CB-CG1 4.39Å; I56-I130 HydrophobicContact CB-CG2 4.02Å; I56-I130 HydrophobicContact CD1-CG2 4.17Å; I56-I130 HydrophobicContact CG1-CG2 3.89Å; I56-I130 WeakPolarHBondContact O-CG2 3.32Å; I56-I133 HydrophobicContact CD1-CB 3.83Å; I56-I133 HydrophobicContact CD1-CD1 4.35Å; I56-I133 HydrophobicContact CD1-CG2 3.47Å; I56-I133 VanDerWaalsContact CD1-CG2 3.47Å
57L98.7Very high96.6Very high0 Ų023.7 Ų23.70%013%0.125CC..Hα-helixtrans-66.4-30.7177.9-68.9170.7000112I6 Y8 L13 M53 G55 I59 A60 V61 I130 Y134I6-L57 HydrophobicContact CG2-CD1 3.79Å; Y8-L57 HydrophobicContact CD1-CD2 4.01Å; Y8-L57 HydrophobicContact CD2-CB 4.12Å; Y8-L57 HydrophobicContact CD2-CD1 4.2Å; Y8-L57 HydrophobicContact CD2-CD2 3.68Å; Y8-L57 HydrophobicContact CD2-CG 4.22Å; Y8-L57 HydrophobicContact CE1-CD2 4.04Å; Y8-L57 HydrophobicContact CE2-CB 4.26Å; Y8-L57 HydrophobicContact CE2-CD2 3.66Å; Y8-L57 HydrophobicContact CE2-CG 4.47Å; Y8-L57 HydrophobicContact CG-CD1 4.19Å; Y8-L57 HydrophobicContact CG-CD2 3.82Å; L13-L57 HydrophobicContact CD1-CB 4.21Å; L13-L57 HydrophobicContact CD1-CD1 4.09Å; L13-L57 HydrophobicContact CD2-CB 3.81Å; M53-L57 VanDerWaalsContact O-CB 3.25Å; M53-L57 WeakPolarHBondContact O-CB 3.44Å; M53-L57 WeakPolarHBondContact O-CD1 3.37Å; M53-L57 WeakPolarHBondContact O-CG 3.24Å; M53-L57 PolarHBondContact O-N 2.97Å; G55-L57 PolarHBondContact O-N 2.84Å; L57-I59 VanDerWaalsContact C-N 3.3Å; L57-I59 PolarHBondContact O-N 2.85Å; L57-A60 WeakPolarHBondContact O-CB 3.4Å; L57-A60 PolarHBondContact O-N 3.42Å; L57-V61 WeakPolarHBondContact O-CG2 3.25Å; L57-V61 PolarHBondContact O-N 2.84Å; L57-I130 HydrophobicContact CD2-CG2 3.94Å; L57-Y134 HydrophobicContact CD1-CD2 3.64Å; L57-Y134 HydrophobicContact CD1-CE2 3.86Å; L57-Y134 HydrophobicContact CD1-CG 4.02Å; L57-Y134 HydrophobicContact CD2-CG 4.2Å; L57-Y134 HydrophobicContact CG-CD2 4.45Å
58S98.5Very high96.6Very high0 Ų025 Ų250%013%0.126CC..Hα-helixtrans-65.1-34.3173.871.50000112.7A36 V54 G55 I56 V61 E62A36-S58 WeakPolarHBondContact CB-OG 3.4Å; V54-S58 WeakPolarHBondContact O-CB 3.34Å; V54-S58 PolarHBondContact O-N 2.93Å; V54-S58 PolarHBondContact O-OG 3.22Å; G55-S58 PolarHBondContact O-N 3.47Å; G55-S58 PolarHBondContact O-OG 2.87Å; I56-S58 VanDerWaalsContact C-N 3.27Å; I56-S58 PolarHBondContact O-N 3.18Å; S58-V61 PolarHBondContact O-N 3.07Å; S58-E62 PolarHBondContact O-N 3.41Å; S58-E62 VanDerWaalsContact O-N 3.12Å
59I98.4Very high96.6Very high0 Ų030.4 Ų30.40%016%0.155CC..Hα-helixtrans-62.1-49170.3-60.1172.1000109.2V33 I56 L57 V61 E62 L63 V78 A81 L82 L85 I130V33-I59 HydrophobicContact CG2-CB 4.45Å; V33-I59 HydrophobicContact CG2-CG1 3.67Å; I56-I59 WeakPolarHBondContact O-CB 3.31Å; I56-I59 PolarHBondContact O-N 3.04Å; I56-I59 VanDerWaalsContact O-N 3.13Å; L57-I59 VanDerWaalsContact C-N 3.3Å; L57-I59 PolarHBondContact O-N 2.85Å; I59-V61 VanDerWaalsContact C-N 3.27Å; I59-V61 PolarHBondContact O-N 3.46Å; I59-E62 PolarHBondContact O-N 3.26Å; I59-E62 VanDerWaalsContact O-N 3.12Å; I59-L63 HydrophobicContact CG2-CD1 3.96Å; I59-L63 HydrophobicContact CG2-CG 4.08Å; I59-L63 VanDerWaalsContact O-CG 3.31Å; I59-L63 WeakPolarHBondContact O-CG 3.44Å; I59-L63 PolarHBondContact O-N 2.98Å; I59-V78 HydrophobicContact CG2-CG1 4.34Å; I59-V78 HydrophobicContact CG2-CG2 4.22Å; I59-A81 HydrophobicContact CD1-CB 3.95Å; I59-A81 HydrophobicContact CG1-CB 3.94Å; I59-L82 HydrophobicContact CD1-CD2 3.56Å; I59-L82 HydrophobicContact CD1-CG 3.7Å; I59-L85 HydrophobicContact CD1-CD1 3.89Å; I59-L85 HydrophobicContact CG1-CD1 4.13Å; I59-I130 HydrophobicContact CB-CD1 4.16Å; I59-I130 HydrophobicContact CG2-CD1 4.08Å
60A98.3Very high96.5Very high0 Ų030.8 Ų30.80%016%0.158CC..Hα-helixtrans-58.6-37.2178.900000112.9I56 L57 L63 C64 I127 I130I56-A60 PolarHBondContact O-N 3.31Å; L57-A60 WeakPolarHBondContact O-CB 3.4Å; L57-A60 PolarHBondContact O-N 3.42Å; A60-L63 PolarHBondContact O-N 3.42Å; A60-C64 PolarHBondContact O-N 3.31Å; A60-C64 VanDerWaalsContact O-N 3.14Å; A60-C64 PolarHBondContact O-SG 3.47Å; A60-I127 HydrophobicContact CB-CG1 4.46Å; A60-I127 HydrophobicContact CB-CG2 4.42Å; A60-I130 HydrophobicContact CB-CB 4.31Å; A60-I130 HydrophobicContact CB-CD1 4.03Å; A60-I130 HydrophobicContact CB-CG2 3.89Å
61V98.3Very high96.2Very high1 Ų131.4 Ų31.41%0.00616%0.161CC..Hα-helixtrans-64.7-42.3175.3168.90000112.2Y8 L13 L57 S58 I59 C64Y8-V61 HydrophobicContact CE2-CG2 4.28Å; L13-V61 HydrophobicContact CB-CG2 3.62Å; L57-V61 WeakPolarHBondContact O-CG2 3.25Å; L57-V61 PolarHBondContact O-N 2.84Å; S58-V61 PolarHBondContact O-N 3.07Å; I59-V61 VanDerWaalsContact C-N 3.27Å; I59-V61 PolarHBondContact O-N 3.46Å; V61-C64 PolarHBondContact O-N 2.97Å
62E97.5Very high96Very high45 Ų4534.4 Ų34.421%0.2118%0.175CC..Hα-helixtrans-68.7-41.3176.4-68.9-167.4141.900111.5S32 V33 S58 I59 C64 K65 A66 Y77S32-E62 WeakPolarHBondContact CA-OE1 3.44Å; S32-E62 WeakPolarHBondContact CB-OE1 3.45Å; V33-E62 WeakPolarHBondContact CB-OE2 3.33Å; V33-E62 WeakPolarHBondContact CG2-OE2 3.45Å; V33-E62 VanDerWaalsContact N-CD 3.26Å; V33-E62 PolarHBondContact N-OE1 3.16Å; V33-E62 VanDerWaalsContact N-OE1 3.15Å; V33-E62 PolarHBondContact N-OE2 2.94Å; S58-E62 PolarHBondContact O-N 3.41Å; S58-E62 VanDerWaalsContact O-N 3.12Å; I59-E62 PolarHBondContact O-N 3.26Å; I59-E62 VanDerWaalsContact O-N 3.12Å; E62-C64 PolarHBondContact O-N 3.33Å; E62-K65 PolarHBondContact O-N 3.42Å; E62-A66 WeakPolarHBondContact O-CB 3.42Å; E62-A66 PolarHBondContact O-N 2.84Å; E62-Y77 WeakPolarHBondContact CB-OH 3.38Å; E62-Y77 PolarHBondContact OE2-OH 2.86Å
63L97Very high95.9Very high1 Ų135.8 Ų35.81%0.00518%0.184CC..Hα-helixtrans-59.5-31.4176.5-68.6-177.1000112.7I59 A60 K65 F68 L74 Y77 V78 L123 V126 I127I59-L63 HydrophobicContact CG2-CD1 3.96Å; I59-L63 HydrophobicContact CG2-CG 4.08Å; I59-L63 VanDerWaalsContact O-CG 3.31Å; I59-L63 WeakPolarHBondContact O-CG 3.44Å; I59-L63 PolarHBondContact O-N 2.98Å; A60-L63 PolarHBondContact O-N 3.42Å; L63-K65 PolarHBondContact O-N 2.94Å; L63-F68 HydrophobicContact CD2-CE2 3.6Å; L63-F68 HydrophobicContact CD2-CZ 3.9Å; L63-L74 HydrophobicContact CD2-CD1 3.52Å; L63-Y77 HydrophobicContact CD2-CD1 4.03Å; L63-Y77 HydrophobicContact CD2-CE1 3.76Å; L63-V78 HydrophobicContact CD1-CG2 4.25Å; L63-V78 HydrophobicContact CD2-CG2 4.3Å; L63-L123 HydrophobicContact CB-CD2 4.42Å; L63-L123 HydrophobicContact CB-CG 4.26Å; L63-V126 HydrophobicContact CD1-CB 4.08Å; L63-V126 HydrophobicContact CD1-CG1 3.58Å; L63-I127 HydrophobicContact CB-CD1 3.93Å; L63-I127 HydrophobicContact CB-CG1 3.89Å; L63-I127 HydrophobicContact CD1-CG1 4.12Å
64C95.8Very high95.8Very high51 Ų5135.5 Ų35.535%0.34518%0.183SC..THydrogen-bonded Turntrans-65.5-14.9175.2-69.30000114.1G11 A60 V61 E62G11-C64 PolarHBondContact N-SG 2.84Å; G11-C64 VanDerWaalsContact N-SG 3.45Å; A60-C64 PolarHBondContact O-N 3.31Å; A60-C64 VanDerWaalsContact O-N 3.14Å; A60-C64 PolarHBondContact O-SG 3.47Å; V61-C64 PolarHBondContact O-N 2.97Å; E62-C64 PolarHBondContact O-N 3.33Å
65K93.5Very high95.6Very high138 Ų13837.3 Ų37.360%0.619%0.191SC*.THydrogen-bonded Turntrans-122.8-3.3-174.8-58.5169.7-170.2165.40112.6E62 L63E62-K65 PolarHBondContact O-N 3.42Å; L63-K65 PolarHBondContact O-N 2.94Å
66A92.9Very high95.4Very high33 Ų3341.5 Ų41.527%0.27321%0.213SC..  trans-99.8150-175.700000110.9E62 F68E62-A66 WeakPolarHBondContact O-CB 3.42Å; E62-A66 PolarHBondContact O-N 2.84Å; A66-F68 HydrophobicContact CB-CD2 4.41Å; A66-F68 HydrophobicContact CB-CE2 3.6Å; A66-F68 HydrophobicContact CB-CZ 3.99Å
67E92.2Very high95.4Very high191 Ų19144.9 Ų44.989%0.89323%0.227SC*.  trans-118.8144.2169.1-66.4-178.4175.400108.2
68F94.1Very high95.3Very high42 Ų4244.9 Ų44.918%0.18423%0.227CC..  trans-127.9142.1-180-66.3-86.8000109.1L63 A66 S70 L74 Y77 V119 L123L63-F68 HydrophobicContact CD2-CE2 3.6Å; L63-F68 HydrophobicContact CD2-CZ 3.9Å; A66-F68 HydrophobicContact CB-CD2 4.41Å; A66-F68 HydrophobicContact CB-CE2 3.6Å; A66-F68 HydrophobicContact CB-CZ 3.99Å; F68-S70 VanDerWaalsContact C-N 3.31Å; F68-L74 HydrophobicContact CB-CB 4.2Å; F68-L74 HydrophobicContact CD1-CB 4.12Å; F68-L74 HydrophobicContact CD2-CB 4.23Å; F68-L74 HydrophobicContact CD2-CD1 3.88Å; F68-L74 HydrophobicContact CE2-CD1 3.71Å; F68-L74 HydrophobicContact CG-CB 3.91Å; F68-L74 HydrophobicContact CG-CD1 4.38Å; F68-L74 HydrophobicContact CZ-CD1 4.09Å; F68-Y77 AromaticContact CE1-CD1 3.94Å; F68-Y77 HydrophobicContact CE1-CD1 3.94Å; F68-Y77 AromaticContact CE1-CG 3.77Å; F68-Y77 HydrophobicContact CE1-CG 3.77Å; F68-Y77 AromaticContact CZ-CD1 3.49Å; F68-Y77 HydrophobicContact CZ-CD1 3.49Å; F68-Y77 VanDerWaalsContact CZ-CD1 3.49Å; F68-Y77 AromaticContact CZ-CE1 3.98Å; F68-Y77 HydrophobicContact CZ-CE1 3.98Å; F68-Y77 AromaticContact CZ-CG 3.77Å; F68-Y77 HydrophobicContact CZ-CG 3.77Å; F68-V119 HydrophobicContact CB-CG1 3.84Å; F68-V119 WeakPolarHBondContact O-CG1 3.29Å; F68-L123 HydrophobicContact CD2-CD1 3.99Å; F68-L123 HydrophobicContact CE2-CD1 4.18Å
69D93.6Very high95.2Very high117 Ų11747 Ų4763%0.62624%0.236SC*.SBendtrans-75.6-21.1178.358.77.3000113.1S73D69-S73 WeakPolarHBondContact OD1-CB 3.47Å; D69-S73 PolarHBondContact OD1-OG 3.14Å
70S93.7Very high95.1Very high17 Ų1748.5 Ų48.512%0.11925%0.251CS..SBendtrans-157.5159.7-171.461.40000111.4F68 K72 S73 L74 T113F68-S70 VanDerWaalsContact C-N 3.31Å; S70-K72 PolarHBondContact O-N 3.09Å; S70-S73 PolarHBondContact N-OG 3.38Å; S70-S73 PolarHBondContact O-N 3.03Å; S70-S73 PolarHBondContact O-OG 2.93Å; S70-S73 VanDerWaalsContact O-OG 3.08Å; S70-S73 PolarHBondContact OG-N 3.27Å; S70-S73 PolarHBondContact OG-OG 3.24Å; S70-L74 PolarHBondContact O-N 3.2Å; S70-T113 VanDerWaalsContact CA-O 3.27Å; S70-T113 WeakPolarHBondContact CA-O 3.35Å
71T92.1Very high95Very high12 Ų1248.9 Ų48.97%0.07425%0.254CS..Hα-helixtrans-62.3-25.7170.152.10000111.8E75 T113 V118 V119 S122T71-E75 WeakPolarHBondContact O-CB 3.44Å; T71-E75 PolarHBondContact O-N 3.2Å; T71-T113 HydrophobicContact CG2-CG2 3.48Å; T71-T113 VanDerWaalsContact CG2-CG2 3.48Å; T71-T113 PolarHBondContact N-O 3.29Å; T71-T113 PolarHBondContact OG1-N 2.94Å; T71-V118 HydrophobicContact CG2-CG1 4.43Å; T71-V119 HydrophobicContact CG2-CG2 4.32Å; T71-S122 WeakPolarHBondContact CG2-OG 3.42Å
72K92.2Very high94.9Very high67 Ų6748.8 Ų48.829%0.29125%0.254SS..Hα-helixtrans-73.1-41.8179.1-167.548.1163.5169.70113.2S70 E75 N76 E112S70-K72 PolarHBondContact O-N 3.09Å; K72-E75 VanDerWaalsContact CD-OE2 3.31Å; K72-E75 WeakPolarHBondContact CD-OE2 3.41Å; K72-E75 IonicContact NZ-OE1 2.62Å; K72-E75 IonicContact NZ-OE2 2.87Å; K72-E75 PolarHBondContact NZ-OE2 2.64Å; K72-E75 PolarHBondContact O-N 3.04Å; K72-N76 WeakPolarHBondContact O-CB 3.43Å; K72-N76 PolarHBondContact O-N 3.19Å; K72-N76 PolarHBondContact O-ND2 3.1Å; K72-E112 HydrophobicContact CB-CG 4.21Å; K72-E112 HydrophobicContact CG-CG 4.44Å
73S94.4Very high94.8Very high29 Ų2950.5 Ų50.520%0.20326%0.264CS..Hα-helixtrans-68-37.8176.361.20000111.9D69 S70 N76 Y77D69-S73 WeakPolarHBondContact OD1-CB 3.47Å; D69-S73 PolarHBondContact OD1-OG 3.14Å; S70-S73 PolarHBondContact N-OG 3.38Å; S70-S73 PolarHBondContact O-N 3.03Å; S70-S73 PolarHBondContact O-OG 2.93Å; S70-S73 VanDerWaalsContact O-OG 3.08Å; S70-S73 PolarHBondContact OG-N 3.27Å; S70-S73 PolarHBondContact OG-OG 3.24Å; S73-N76 PolarHBondContact O-N 3.48Å; S73-Y77 WeakPolarHBondContact O-CB 3.44Å; S73-Y77 PolarHBondContact O-N 3.38Å
74L95.2Very high94.7Very high2 Ų254.9 Ų54.91%0.0129%0.287CS..Hα-helixtrans-57.6-52.1169.5172.464000111.4L63 F68 S70 N76 Y77 V78 L123L63-L74 HydrophobicContact CD2-CD1 3.52Å; F68-L74 HydrophobicContact CB-CB 4.2Å; F68-L74 HydrophobicContact CD1-CB 4.12Å; F68-L74 HydrophobicContact CD2-CB 4.23Å; F68-L74 HydrophobicContact CD2-CD1 3.88Å; F68-L74 HydrophobicContact CE2-CD1 3.71Å; F68-L74 HydrophobicContact CG-CB 3.91Å; F68-L74 HydrophobicContact CG-CD1 4.38Å; F68-L74 HydrophobicContact CZ-CD1 4.09Å; S70-L74 PolarHBondContact O-N 3.2Å; L74-N76 PolarHBondContact O-N 3.02Å; L74-Y77 PolarHBondContact O-N 3.01Å; L74-V78 HydrophobicContact CD1-CG2 4Å; L74-V78 WeakPolarHBondContact O-CG2 3.31Å; L74-V78 PolarHBondContact O-N 2.61Å; L74-L123 HydrophobicContact CD2-CB 4.12Å
75E94.5Very high94.7Very high37 Ų3752.5 Ų52.517%0.17327%0.271CS..Hα-helixtrans-56.5-48.8179-173.3-159.5161.100111.5T71 K72 Y77 V78 K79 L106T71-E75 WeakPolarHBondContact O-CB 3.44Å; T71-E75 PolarHBondContact O-N 3.2Å; K72-E75 VanDerWaalsContact CD-OE2 3.31Å; K72-E75 WeakPolarHBondContact CD-OE2 3.41Å; K72-E75 IonicContact NZ-OE1 2.62Å; K72-E75 IonicContact NZ-OE2 2.87Å; K72-E75 PolarHBondContact NZ-OE2 2.64Å; K72-E75 PolarHBondContact O-N 3.04Å; E75-Y77 VanDerWaalsContact C-N 3.35Å; E75-Y77 PolarHBondContact O-N 3.37Å; E75-V78 PolarHBondContact O-N 3.45Å; E75-K79 HydrophobicContact CG-CD 4.07Å; E75-K79 WeakPolarHBondContact O-CB 3.48Å; E75-K79 WeakPolarHBondContact O-CG 3.42Å; E75-K79 PolarHBondContact O-N 3.11Å; E75-K79 VanDerWaalsContact OE1-CE 3.29Å; E75-K79 WeakPolarHBondContact OE1-CE 3.41Å; E75-K79 IonicContact OE1-NZ 2.61Å; E75-K79 PolarHBondContact OE1-NZ 2.91Å; E75-L106 HydrophobicContact CG-CB 4.3Å; E75-L106 HydrophobicContact CG-CD1 4.38Å
76N95.3Very high94.6Very high88 Ų8847.9 Ų47.947%0.47125%0.254SS..Hα-helixtrans-62.1-42.4-179.4-71.2-18.9000111.7K72 S73 L74 G80K72-N76 WeakPolarHBondContact O-CB 3.43Å; K72-N76 PolarHBondContact O-N 3.19Å; K72-N76 PolarHBondContact O-ND2 3.1Å; S73-N76 PolarHBondContact O-N 3.48Å; L74-N76 PolarHBondContact O-N 3.02Å; N76-G80 PolarHBondContact O-N 2.75Å
77Y96.6Very high94.5Very high71 Ų7149.6 Ų49.628%0.27826%0.264SS..Hα-helixtrans-63.4-49.3177.4167.1-95.7000111.9E62 L63 F68 S73 L74 E75 K79 G80 A81E62-Y77 WeakPolarHBondContact CB-OH 3.38Å; E62-Y77 PolarHBondContact OE2-OH 2.86Å; L63-Y77 HydrophobicContact CD2-CD1 4.03Å; L63-Y77 HydrophobicContact CD2-CE1 3.76Å; F68-Y77 AromaticContact CE1-CD1 3.94Å; F68-Y77 HydrophobicContact CE1-CD1 3.94Å; F68-Y77 AromaticContact CE1-CG 3.77Å; F68-Y77 HydrophobicContact CE1-CG 3.77Å; F68-Y77 AromaticContact CZ-CD1 3.49Å; F68-Y77 HydrophobicContact CZ-CD1 3.49Å; F68-Y77 VanDerWaalsContact CZ-CD1 3.49Å; F68-Y77 AromaticContact CZ-CE1 3.98Å; F68-Y77 HydrophobicContact CZ-CE1 3.98Å; F68-Y77 AromaticContact CZ-CG 3.77Å; F68-Y77 HydrophobicContact CZ-CG 3.77Å; S73-Y77 WeakPolarHBondContact O-CB 3.44Å; S73-Y77 PolarHBondContact O-N 3.38Å; L74-Y77 PolarHBondContact O-N 3.01Å; E75-Y77 VanDerWaalsContact C-N 3.35Å; E75-Y77 PolarHBondContact O-N 3.37Å; Y77-K79 PolarHBondContact O-N 2.81Å; Y77-G80 PolarHBondContact O-N 3.06Å; Y77-A81 WeakPolarHBondContact O-CB 3.41Å; Y77-A81 PolarHBondContact O-N 3.05Å
78V97.1Very high94.3Very high0 Ų041.2 Ų41.20%023%0.228CC..Hα-helixtrans-63.4-43.6-179.7177.20000110.8I59 L63 L74 E75 G80 A81 L82 L106 V126I59-V78 HydrophobicContact CG2-CG1 4.34Å; I59-V78 HydrophobicContact CG2-CG2 4.22Å; L63-V78 HydrophobicContact CD1-CG2 4.25Å; L63-V78 HydrophobicContact CD2-CG2 4.3Å; L74-V78 HydrophobicContact CD1-CG2 4Å; L74-V78 WeakPolarHBondContact O-CG2 3.31Å; L74-V78 PolarHBondContact O-N 2.61Å; E75-V78 PolarHBondContact O-N 3.45Å; V78-G80 PolarHBondContact O-N 3.1Å; V78-A81 PolarHBondContact O-N 3.11Å; V78-L82 HydrophobicContact CG1-CD1 3.87Å; V78-L82 HydrophobicContact CG1-CG 4.44Å; V78-L82 WeakPolarHBondContact O-CB 3.31Å; V78-L82 WeakPolarHBondContact O-CD1 3.37Å; V78-L82 VanDerWaalsContact O-CG 3.24Å; V78-L82 WeakPolarHBondContact O-CG 3.22Å; V78-L82 PolarHBondContact O-N 2.83Å; V78-L106 HydrophobicContact CB-CD1 3.96Å; V78-L106 HydrophobicContact CB-CD2 4.48Å; V78-L106 HydrophobicContact CG1-CD1 3.77Å; V78-V126 HydrophobicContact CG1-CG1 4.47Å; V78-V126 HydrophobicContact CG2-CG1 4.26Å
79K96.2Very high94Very high45 Ų4539.9 Ų39.920%0.19622%0.222CC..Hα-helixtrans-60.5-45.3175.8-75.2-177.9173.2-178.70111.6E75 Y77 L82 D83 V103 L106 E107E75-K79 HydrophobicContact CG-CD 4.07Å; E75-K79 WeakPolarHBondContact O-CB 3.48Å; E75-K79 WeakPolarHBondContact O-CG 3.42Å; E75-K79 PolarHBondContact O-N 3.11Å; E75-K79 VanDerWaalsContact OE1-CE 3.29Å; E75-K79 WeakPolarHBondContact OE1-CE 3.41Å; E75-K79 IonicContact OE1-NZ 2.61Å; E75-K79 PolarHBondContact OE1-NZ 2.91Å; Y77-K79 PolarHBondContact O-N 2.81Å; K79-L82 PolarHBondContact O-N 2.67Å; K79-D83 PolarHBondContact O-N 3.1Å; K79-V103 HydrophobicContact CG-CG2 4.3Å; K79-L106 HydrophobicContact CG-CD1 4.03Å; K79-E107 IonicContact NZ-OE1 3.54Å
80G96.3Very high93.5Very high31 Ų3137.4 Ų37.432%0.3221%0.212SC..Hα-helixtrans-62.2-44.4177.400000113.2N76 Y77 V78 L82 D83 L84N76-G80 PolarHBondContact O-N 2.75Å; Y77-G80 PolarHBondContact O-N 3.06Å; V78-G80 PolarHBondContact O-N 3.1Å; G80-L82 PolarHBondContact O-N 2.89Å; G80-D83 PolarHBondContact O-N 3.32Å; G80-L84 WeakPolarHBondContact O-CG 3.45Å; G80-L84 PolarHBondContact O-N 3.14Å; G80-L84 VanDerWaalsContact O-N 3.13Å
81A97.1Very high93.2Very high8 Ų836.7 Ų36.77%0.06621%0.207CC..Hα-helixtrans-60.8-43.7175.800000111.9V33 I59 Y77 V78 D83 L84 L85V33-A81 HydrophobicContact CG1-CB 4.17Å; V33-A81 HydrophobicContact CG2-CB 4.04Å; I59-A81 HydrophobicContact CD1-CB 3.95Å; I59-A81 HydrophobicContact CG1-CB 3.94Å; Y77-A81 WeakPolarHBondContact O-CB 3.41Å; Y77-A81 PolarHBondContact O-N 3.05Å; V78-A81 PolarHBondContact O-N 3.11Å; A81-D83 PolarHBondContact O-N 3.03Å; A81-L84 PolarHBondContact O-N 2.83Å; A81-L85 WeakPolarHBondContact O-CB 3.34Å; A81-L85 VanDerWaalsContact O-CG 3.3Å; A81-L85 WeakPolarHBondContact O-CG 3.27Å; A81-L85 PolarHBondContact O-N 3.1Å
82L95.9Very high93Very high0 Ų036.3 Ų36.30%021%0.205CC..Hα-helixtrans-63.3-39.8176.9-70.4166.5000112.4I56 I59 V78 K79 G80 L85 V86 R99 L102I56-L82 HydrophobicContact CG2-CD2 4.12Å; I59-L82 HydrophobicContact CD1-CD2 3.56Å; I59-L82 HydrophobicContact CD1-CG 3.7Å; V78-L82 HydrophobicContact CG1-CD1 3.87Å; V78-L82 HydrophobicContact CG1-CG 4.44Å; V78-L82 WeakPolarHBondContact O-CB 3.31Å; V78-L82 WeakPolarHBondContact O-CD1 3.37Å; V78-L82 VanDerWaalsContact O-CG 3.24Å; V78-L82 WeakPolarHBondContact O-CG 3.22Å; V78-L82 PolarHBondContact O-N 2.83Å; K79-L82 PolarHBondContact O-N 2.67Å; G80-L82 PolarHBondContact O-N 2.89Å; L82-L85 PolarHBondContact O-N 3.34Å; L82-V86 VanDerWaalsContact O-CG2 3.27Å; L82-V86 WeakPolarHBondContact O-CG2 3.26Å; L82-V86 PolarHBondContact O-N 3.41Å; L82-R99 HydrophobicContact CB-CB 4.1Å; L82-R99 HydrophobicContact CB-CG 3.78Å; L82-R99 HydrophobicContact CD1-CB 4.33Å; L82-R99 HydrophobicContact CD1-CG 4.08Å; L82-R99 HydrophobicContact CD2-CB 4.19Å; L82-R99 HydrophobicContact CG-CB 4.44Å; L82-R99 HydrophobicContact CG-CG 4.39Å; L82-L102 HydrophobicContact CD1-CB 3.94Å; L82-L102 HydrophobicContact CD1-CD1 4.2Å; L82-L102 HydrophobicContact CD2-CD1 3.89Å
83D94.6Very high93Very high80 Ų8034 Ų3443%0.42820%0.196SC..Hα-helixtrans-62.6-44.2176.8-71.8-19.4000111.8K79 G80 A81 L85 V86 S87 R99K79-D83 PolarHBondContact O-N 3.1Å; G80-D83 PolarHBondContact O-N 3.32Å; A81-D83 PolarHBondContact O-N 3.03Å; D83-L85 VanDerWaalsContact C-N 3.34Å; D83-L85 PolarHBondContact O-N 3.03Å; D83-V86 PolarHBondContact O-N 2.95Å; D83-S87 PolarHBondContact O-N 2.91Å; D83-S87 VanDerWaalsContact O-N 3.16Å; D83-R99 IonicContact OD1-CZ 3.78Å; D83-R99 IonicContact OD1-NE 3.72Å; D83-R99 PolarHBondContact OD1-NE 3.39Å; D83-R99 IonicContact OD1-NH2 3.61Å; D83-R99 PolarHBondContact OD1-NH2 3.48Å; D83-R99 IonicContact OD2-NH2 2.71Å
84L95.1Very high92.9Very high93 Ų9332.8 Ų32.849%0.48719%0.187SC..Hα-helixtrans-61.9-43.1176-68.9174.4000111.6I37 G80 A81 S87 A88I37-L84 HydrophobicContact CD1-CB 3.73Å; G80-L84 WeakPolarHBondContact O-CG 3.45Å; G80-L84 PolarHBondContact O-N 3.14Å; G80-L84 VanDerWaalsContact O-N 3.13Å; A81-L84 PolarHBondContact O-N 2.83Å; L84-S87 PolarHBondContact O-N 3.39Å; L84-S87 PolarHBondContact O-OG 3.28Å; L84-A88 PolarHBondContact O-N 3.39Å
85L95.3Very high92.8Very high1 Ų132.8 Ų32.81%0.00519%0.187CC..Hα-helixtrans-63.5-44.8178.4-80.8169000112.7V33 A36 I37 I40 G55 I59 A81 L82 D83 S87 A88 I95V33-L85 HydrophobicContact CG1-CD1 4.28Å; V33-L85 HydrophobicContact CG1-CD2 4.42Å; V33-L85 HydrophobicContact CG1-CG 4.07Å; A36-L85 HydrophobicContact CB-CD2 4.43Å; I37-L85 HydrophobicContact CG1-CD2 3.76Å; I37-L85 HydrophobicContact CG1-CG 4.35Å; I40-L85 HydrophobicContact CD1-CD2 4.26Å; G55-L85 WeakPolarHBondContact O-CD1 3.36Å; I59-L85 HydrophobicContact CD1-CD1 3.89Å; I59-L85 HydrophobicContact CG1-CD1 4.13Å; A81-L85 WeakPolarHBondContact O-CB 3.34Å; A81-L85 VanDerWaalsContact O-CG 3.3Å; A81-L85 WeakPolarHBondContact O-CG 3.27Å; A81-L85 PolarHBondContact O-N 3.1Å; L82-L85 PolarHBondContact O-N 3.34Å; D83-L85 VanDerWaalsContact C-N 3.34Å; D83-L85 PolarHBondContact O-N 3.03Å; L85-S87 PolarHBondContact O-N 3.01Å; L85-A88 VanDerWaalsContact O-CB 3.31Å; L85-A88 WeakPolarHBondContact O-CB 3.5Å; L85-A88 PolarHBondContact O-N 3.48Å; L85-A88 VanDerWaalsContact O-N 3.1Å; L85-I95 HydrophobicContact CB-CD1 3.65Å; L85-I95 HydrophobicContact CB-CG1 4.25Å; L85-I95 HydrophobicContact CD2-CD1 4.25Å; L85-I95 HydrophobicContact CG-CD1 4.41Å
86V92.5Very high92.7Very high41 Ų4132.5 Ų32.525%0.24819%0.192CC..Hα-helixtrans-59.4-37.8175.31710000111.4L82 D83 A88 I95 A96 R99L82-V86 VanDerWaalsContact O-CG2 3.27Å; L82-V86 WeakPolarHBondContact O-CG2 3.26Å; L82-V86 PolarHBondContact O-N 3.41Å; D83-V86 PolarHBondContact O-N 2.95Å; V86-A88 PolarHBondContact O-N 3.2Å; V86-I95 HydrophobicContact CB-CG2 4.5Å; V86-I95 HydrophobicContact CG2-CG2 4.14Å; V86-A96 HydrophobicContact CG1-CB 4.2Å; V86-A96 HydrophobicContact CG2-CB 4.19Å; V86-R99 HydrophobicContact CG2-CB 4.28Å
87S89.8Confident92.6Very high69 Ų6929.2 Ų29.248%0.48317%0.174SC..Hα-helixtrans-68.1-18.317983.40000114.1D83 L84 L85D83-S87 PolarHBondContact O-N 2.91Å; D83-S87 VanDerWaalsContact O-N 3.16Å; L84-S87 PolarHBondContact O-N 3.39Å; L84-S87 PolarHBondContact O-OG 3.28Å; L85-S87 PolarHBondContact O-N 3.01Å
88A89.5Confident92.5Very high15 Ų1526.2 Ų26.212%0.12416%0.164CC..Hα-helixtrans-68.8-37.9-17200000113.2I37 I40 R41 L84 L85 V86I37-A88 HydrophobicContact CG2-CB 4.34Å; I40-A88 HydrophobicContact CG2-CB 4.16Å; R41-A88 HydrophobicContact CG-CB 4.4Å; L84-A88 PolarHBondContact O-N 3.39Å; L85-A88 VanDerWaalsContact O-CB 3.31Å; L85-A88 WeakPolarHBondContact O-CB 3.5Å; L85-A88 PolarHBondContact O-N 3.48Å; L85-A88 VanDerWaalsContact O-N 3.1Å; V86-A88 PolarHBondContact O-N 3.2Å
89R87.6Confident92.4Very high15 Ų1529.9 Ų29.96%0.05718%0.178CC..  trans-148.590.1178.3-66.1-168.173.893.720.8111.2I40 T91 A92 E298I40-R89 HydrophobicContact CG2-CB 4.49Å; I40-R89 VanDerWaalsContact CG2-CD 3.5Å; I40-R89 HydrophobicContact CG2-CG 3.63Å; R89-T91 VanDerWaalsContact C-N 3.33Å; R89-T91 PolarHBondContact O-N 3.09Å; R89-A92 PolarHBondContact O-N 3.4Å; R89-E298 IonicContact CZ-OE1 3.07Å; R89-E298 IonicContact CZ-OE2 2.87Å; R89-E298 IonicContact NE-OE2 3.53Å; R89-E298 IonicContact NH1-OE1 2.8Å; R89-E298 IonicContact NH2-OE1 2.69Å; R89-E298 PolarHBondContact NH2-OE1 2.93Å; R89-E298 IonicContact NH2-OE2 3.77Å; R89-E298 PolarHBondContact NH2-OE2 3.3Å
90P83.5Confident92.2Very high64 Ų6432.6 Ų32.642%0.41619%0.187SC..THydrogen-bonded Turntrans-69.5-21.1-16626.7-36000115.4K296P90-K296 HydrophobicContact CB-CD 4.42Å; P90-K296 HydrophobicContact CG-CD 4.21Å
91T86.5Confident92.1Very high3 Ų336.3 Ų36.32%0.01819%0.191CC..THydrogen-bonded Turntrans-72-30.6178.7-46.90000112.2R89 V93 D248 A257 V295 K296 F325R89-T91 VanDerWaalsContact C-N 3.33Å; R89-T91 PolarHBondContact O-N 3.09Å; T91-V93 PolarHBondContact O-N 3.23Å; T91-D248 HydrophobicContact CG2-CB 4.14Å; T91-A257 HydrophobicContact CG2-CB 4.41Å; T91-V295 HydrophobicContact CG2-CG1 4.1Å; T91-K296 PolarHBondContact OG1-O 3.27Å; T91-F325 HydrophobicContact CG2-CD2 3.82Å; T91-F325 HydrophobicContact CG2-CE2 4Å; T91-F325 HydrophobicContact CG2-CG 4.16Å
92A88Confident92.1Very high4 Ų436 Ų363%0.03319%0.189CC..  trans-82.192.1-178.100000110.8A48 I51 R89 N94A48-A92 HydrophobicContact CB-CB 3.67Å; I51-A92 HydrophobicContact CD1-CB 4.23Å; R89-A92 PolarHBondContact O-N 3.4Å; A92-N94 VanDerWaalsContact C-N 3.25Å; A92-N94 PolarHBondContact O-N 2.95Å
93V91.2Very high92Very high17 Ų1736.9 Ų36.910%0.10319%0.194CC..THydrogen-bonded Turntrans-71.8-16.4-170.3-62.20000114.4T91 I95 A96 N97 D248 C249 T284T91-V93 PolarHBondContact O-N 3.23Å; V93-I95 PolarHBondContact O-N 3.18Å; V93-I95 VanDerWaalsContact O-N 3.16Å; V93-A96 WeakPolarHBondContact O-CB 3.48Å; V93-A96 PolarHBondContact O-N 3.15Å; V93-N97 PolarHBondContact O-N 3.3Å; V93-D248 PolarHBondContact N-O 3.26Å; V93-C249 HydrophobicContact CG1-CB 3.92Å; V93-C249 HydrophobicContact CG2-CB 4.27Å; V93-T284 VanDerWaalsContact CG2-O 3.31Å; V93-T284 WeakPolarHBondContact CG2-O 3.3Å
94N92.5Very high91.9Very high4 Ų437.3 Ų37.32%0.02120%0.199CC..Hα-helixtrans-55.8-35.3-178.6-65.260000112.6A48 A52 A92 N97 A98 T283 T284A48-N94 HydrophobicContact CB-CB 4.45Å; A48-N94 WeakPolarHBondContact CB-OD1 3.37Å; A48-N94 WeakPolarHBondContact O-CB 3.3Å; A52-N94 HydrophobicContact CB-CB 3.73Å; A92-N94 VanDerWaalsContact C-N 3.25Å; A92-N94 PolarHBondContact O-N 2.95Å; N94-N97 PolarHBondContact O-N 2.97Å; N94-A98 WeakPolarHBondContact O-CB 3.35Å; N94-A98 PolarHBondContact O-N 3.34Å; N94-T283 PolarHBondContact ND2-OG1 3.11Å; N94-T283 VanDerWaalsContact ND2-OG1 3.13Å; N94-T284 VanDerWaalsContact CG-OG1 3.31Å; N94-T284 PolarHBondContact ND2-OG1 2.65Å; N94-T284 PolarHBondContact OD1-OG1 3.37Å
95I93.5Very high91.9Very high2 Ų235.1 Ų35.11%0.0119%0.187CC..Hα-helixtrans-72.8-34.2178.7-162.1156.2000112.4I51 A52 L85 V86 V93 N97 R99I51-I95 HydrophobicContact CG2-CD1 4.19Å; A52-I95 HydrophobicContact CB-CB 4.11Å; L85-I95 HydrophobicContact CB-CD1 3.65Å; L85-I95 HydrophobicContact CB-CG1 4.25Å; L85-I95 HydrophobicContact CD2-CD1 4.25Å; L85-I95 HydrophobicContact CG-CD1 4.41Å; V86-I95 HydrophobicContact CB-CG2 4.5Å; V86-I95 HydrophobicContact CG2-CG2 4.14Å; V93-I95 PolarHBondContact O-N 3.18Å; V93-I95 VanDerWaalsContact O-N 3.16Å; I95-N97 VanDerWaalsContact C-N 3.34Å; I95-R99 WeakPolarHBondContact O-CB 3.29Å; I95-R99 PolarHBondContact O-N 3.06Å
96A92.8Very high91.8Very high32 Ų3235.6 Ų35.626%0.26419%0.19SC..Hα-helixtrans-68.9-35.8172.500000111.3V86 V93 R99 R100V86-A96 HydrophobicContact CG1-CB 4.2Å; V86-A96 HydrophobicContact CG2-CB 4.19Å; V93-A96 WeakPolarHBondContact O-CB 3.48Å; V93-A96 PolarHBondContact O-N 3.15Å; A96-R99 WeakPolarHBondContact O-CB 3.5Å; A96-R99 PolarHBondContact O-N 3.44Å; A96-R100 PolarHBondContact O-N 3.16Å
97N93.3Very high91.7Very high19 Ų1939.4 Ų39.410%0.10221%0.205CC..Hα-helixtrans-70.5-41.6175.3-72.9-20.3000112V93 N94 I95 R99 R100 R101 T283 L285V93-N97 PolarHBondContact O-N 3.3Å; N94-N97 PolarHBondContact O-N 2.97Å; I95-N97 VanDerWaalsContact C-N 3.34Å; N97-R99 VanDerWaalsContact C-N 3.33Å; N97-R99 PolarHBondContact O-N 2.69Å; N97-R100 PolarHBondContact O-N 3.39Å; N97-R100 VanDerWaalsContact OD1-CZ 3.29Å; N97-R100 PolarHBondContact OD1-NH1 3.46Å; N97-R100 PolarHBondContact OD1-NH2 3.14Å; N97-R101 PolarHBondContact O-N 2.76Å; N97-T283 PolarHBondContact ND2-O 2.96Å; N97-L285 PolarHBondContact ND2-O 2.84Å; N97-L285 VanDerWaalsContact ND2-O 3.17Å
98A94.6Very high91.7Very high8 Ų840.2 Ų40.27%0.06621%0.211CC..Hα-helixtrans-60.8-42.5172.100000111.5I56 N94 R100 R101 L102I56-A98 HydrophobicContact CG2-CB 3.95Å; N94-A98 WeakPolarHBondContact O-CB 3.35Å; N94-A98 PolarHBondContact O-N 3.34Å; A98-R100 PolarHBondContact O-N 3.3Å; A98-R101 PolarHBondContact O-N 2.91Å; A98-L102 WeakPolarHBondContact O-CG 3.4Å; A98-L102 PolarHBondContact O-N 3.44Å
99R94.6Very high91.6Very high77 Ų7741 Ų4129%0.29121%0.213SC..Hα-helixtrans-55-49.1172171.9-175.9-176.4-72.74.3111.8L82 D83 V86 I95 A96 N97 R101 L102 V103L82-R99 HydrophobicContact CB-CB 4.1Å; L82-R99 HydrophobicContact CB-CG 3.78Å; L82-R99 HydrophobicContact CD1-CB 4.33Å; L82-R99 HydrophobicContact CD1-CG 4.08Å; L82-R99 HydrophobicContact CD2-CB 4.19Å; L82-R99 HydrophobicContact CG-CB 4.44Å; L82-R99 HydrophobicContact CG-CG 4.39Å; D83-R99 IonicContact OD1-CZ 3.78Å; D83-R99 IonicContact OD1-NE 3.72Å; D83-R99 PolarHBondContact OD1-NE 3.39Å; D83-R99 IonicContact OD1-NH2 3.61Å; D83-R99 PolarHBondContact OD1-NH2 3.48Å; D83-R99 IonicContact OD2-NH2 2.71Å; V86-R99 HydrophobicContact CG2-CB 4.28Å; I95-R99 WeakPolarHBondContact O-CB 3.29Å; I95-R99 PolarHBondContact O-N 3.06Å; A96-R99 WeakPolarHBondContact O-CB 3.5Å; A96-R99 PolarHBondContact O-N 3.44Å; N97-R99 VanDerWaalsContact C-N 3.33Å; N97-R99 PolarHBondContact O-N 2.69Å; R99-R101 VanDerWaalsContact C-N 3.28Å; R99-R101 PolarHBondContact O-N 3.04Å; R99-L102 PolarHBondContact O-N 3.36Å; R99-V103 HydrophobicContact CG-CG2 4.16Å; R99-V103 WeakPolarHBondContact O-CB 3.41Å; R99-V103 VanDerWaalsContact O-CG2 3.28Å; R99-V103 WeakPolarHBondContact O-CG2 3.46Å; R99-V103 PolarHBondContact O-N 3.27Å
100R92.8Very high91Very high102 Ų10246.7 Ų46.739%0.38524%0.24SC..Hα-helixtrans-56.8-44.6-179.5-168.4-175.6-52.4975.1111.5A96 N97 A98 V103 V104A96-R100 PolarHBondContact O-N 3.16Å; N97-R100 PolarHBondContact O-N 3.39Å; N97-R100 VanDerWaalsContact OD1-CZ 3.29Å; N97-R100 PolarHBondContact OD1-NH1 3.46Å; N97-R100 PolarHBondContact OD1-NH2 3.14Å; A98-R100 PolarHBondContact O-N 3.3Å; R100-V103 PolarHBondContact O-N 3.11Å; R100-V104 WeakPolarHBondContact O-CG2 3.15Å; R100-V104 PolarHBondContact O-N 3.23Å; R100-V104 VanDerWaalsContact O-N 3.09Å
101R94.3Very high90.6Very high109 Ų10952.8 Ų52.841%0.41126%0.26SS..Hα-helixtrans-64.9-43.8178.5-176.3173.5170.5179.5-0.4112.4N97 A98 R99 V103 V104 L105 I133 E136N97-R101 PolarHBondContact O-N 2.76Å; A98-R101 PolarHBondContact O-N 2.91Å; R99-R101 VanDerWaalsContact C-N 3.28Å; R99-R101 PolarHBondContact O-N 3.04Å; R101-V103 VanDerWaalsContact C-N 3.34Å; R101-V104 PolarHBondContact O-N 3.46Å; R101-L105 PolarHBondContact O-N 3.37Å; R101-I133 HydrophobicContact CG-CD1 4.18Å; R101-E136 IonicContact CZ-OE1 3.85Å; R101-E136 IonicContact CZ-OE2 2.66Å; R101-E136 IonicContact NH1-OE1 2.77Å; R101-E136 IonicContact NH1-OE2 3.81Å; R101-E136 PolarHBondContact NH1-OE2 2.91Å; R101-E136 IonicContact NH2-OE1 3.13Å; R101-E136 PolarHBondContact NH2-OE1 3.16Å; R101-E136 IonicContact NH2-OE2 2.9Å; R101-E136 PolarHBondContact NH2-OE2 2.88Å
102L95.9Very high90Very high2 Ų259.8 Ų59.81%0.0129%0.293CS..Hα-helixtrans-68.1-33.2177.5-70.5171.9000112.4I56 L82 A98 R99 L105 L106 I130 I133I56-L102 HydrophobicContact CB-CD1 4.12Å; I56-L102 HydrophobicContact CG2-CD1 3.65Å; L82-L102 HydrophobicContact CD1-CB 3.94Å; L82-L102 HydrophobicContact CD1-CD1 4.2Å; L82-L102 HydrophobicContact CD2-CD1 3.89Å; A98-L102 WeakPolarHBondContact O-CG 3.4Å; A98-L102 PolarHBondContact O-N 3.44Å; R99-L102 PolarHBondContact O-N 3.36Å; L102-L105 HydrophobicContact CD2-CD2 4.24Å; L102-L105 WeakPolarHBondContact O-CB 3.38Å; L102-L105 PolarHBondContact O-N 2.93Å; L102-L106 VanDerWaalsContact O-CG 3.26Å; L102-L106 WeakPolarHBondContact O-CG 3.33Å; L102-L106 PolarHBondContact O-N 3.45Å; L102-I130 HydrophobicContact CD1-CG1 3.98Å; L102-I130 HydrophobicContact CD2-CG1 3.66Å; L102-I130 HydrophobicContact CG-CG1 4.49Å; L102-I133 HydrophobicContact CD1-CD1 4.49Å; L102-I133 HydrophobicContact CD2-CD1 3.75Å; L102-I133 HydrophobicContact CG-CD1 3.86Å
103V94.1Very high89.9Confident18 Ų1860.6 Ų60.611%0.10930%0.297CS..Hα-helixtrans-63.9-44172.9168.20000111.1K79 R99 R100 R101 L105 L106 E107K79-V103 HydrophobicContact CG-CG2 4.3Å; R99-V103 HydrophobicContact CG-CG2 4.16Å; R99-V103 WeakPolarHBondContact O-CB 3.41Å; R99-V103 VanDerWaalsContact O-CG2 3.28Å; R99-V103 WeakPolarHBondContact O-CG2 3.46Å; R99-V103 PolarHBondContact O-N 3.27Å; R100-V103 PolarHBondContact O-N 3.11Å; R101-V103 VanDerWaalsContact C-N 3.34Å; V103-L105 VanDerWaalsContact C-N 3.32Å; V103-L105 PolarHBondContact O-N 3.28Å; V103-L106 PolarHBondContact O-N 3.07Å; V103-E107 HydrophobicContact CG1-CG 4.44Å; V103-E107 VanDerWaalsContact CG1-OE1 3.3Å; V103-E107 WeakPolarHBondContact CG1-OE1 3.15Å; V103-E107 WeakPolarHBondContact O-CB 3.41Å; V103-E107 WeakPolarHBondContact O-CG 3.28Å; V103-E107 PolarHBondContact O-N 2.9Å
104V93.7Very high89.7Confident89 Ų8967.4 Ų67.454%0.53933%0.328SS..Hα-helixtrans-61.2-41.6174.6171.50000111.3R100 R101 E107 S108R100-V104 WeakPolarHBondContact O-CG2 3.15Å; R100-V104 PolarHBondContact O-N 3.23Å; R100-V104 VanDerWaalsContact O-N 3.09Å; R101-V104 PolarHBondContact O-N 3.46Å; V104-E107 PolarHBondContact O-N 3.22Å; V104-S108 PolarHBondContact O-N 3.18Å; V104-S108 VanDerWaalsContact O-N 3.11Å
105L94.4Very high89.5Confident46 Ų4674.4 Ų74.424%0.24136%0.358CS..Hα-helixtrans-58.7-50.6174175.863.3000110.9R101 L102 V103 E107 S108 L109R101-L105 PolarHBondContact O-N 3.37Å; L102-L105 HydrophobicContact CD2-CD2 4.24Å; L102-L105 WeakPolarHBondContact O-CB 3.38Å; L102-L105 PolarHBondContact O-N 2.93Å; V103-L105 VanDerWaalsContact C-N 3.32Å; V103-L105 PolarHBondContact O-N 3.28Å; L105-E107 VanDerWaalsContact C-N 3.29Å; L105-E107 PolarHBondContact O-N 2.99Å; L105-S108 WeakPolarHBondContact O-CB 3.42Å; L105-S108 PolarHBondContact O-N 3.37Å; L105-S108 VanDerWaalsContact O-N 3.07Å; L105-S108 PolarHBondContact O-OG 3.22Å; L105-L109 WeakPolarHBondContact O-CG 3.31Å; L105-L109 PolarHBondContact O-N 3.2Å
106L93.1Very high89.2Confident12 Ų1279 Ų796%0.06339%0.389CS..Hα-helixtrans-58.1-40.1178.2-72.1168.9000112.5E75 V78 K79 L102 V103 S108 L109 V126E75-L106 HydrophobicContact CG-CB 4.3Å; E75-L106 HydrophobicContact CG-CD1 4.38Å; V78-L106 HydrophobicContact CB-CD1 3.96Å; V78-L106 HydrophobicContact CB-CD2 4.48Å; V78-L106 HydrophobicContact CG1-CD1 3.77Å; K79-L106 HydrophobicContact CG-CD1 4.03Å; L102-L106 VanDerWaalsContact O-CG 3.26Å; L102-L106 WeakPolarHBondContact O-CG 3.33Å; L102-L106 PolarHBondContact O-N 3.45Å; V103-L106 PolarHBondContact O-N 3.07Å; L106-S108 VanDerWaalsContact C-N 3.25Å; L106-S108 PolarHBondContact O-N 3Å; L106-L109 HydrophobicContact CD2-CD1 4.23Å; L106-L109 PolarHBondContact O-N 2.98Å; L106-V126 HydrophobicContact CD2-CG2 3.58Å
107E90.3Very high89.1Confident120 Ų12081.3 Ų81.356%0.56141%0.407SS*.Hα-helixtrans-69.4-22.4178.4-73.4169.6-178.700113.3K79 V103 V104 L105K79-E107 IonicContact NZ-OE1 3.54Å; V103-E107 HydrophobicContact CG1-CG 4.44Å; V103-E107 VanDerWaalsContact CG1-OE1 3.3Å; V103-E107 WeakPolarHBondContact CG1-OE1 3.15Å; V103-E107 WeakPolarHBondContact O-CB 3.41Å; V103-E107 WeakPolarHBondContact O-CG 3.28Å; V103-E107 PolarHBondContact O-N 2.9Å; V104-E107 PolarHBondContact O-N 3.22Å; L105-E107 VanDerWaalsContact C-N 3.29Å; L105-E107 PolarHBondContact O-N 2.99Å
108S89.7Confident88.9Confident86 Ų8682 Ų8260%0.60141%0.412SS*.Hα-helixtrans-83.3-16175.276.90000114V104 L105 L106V104-S108 PolarHBondContact O-N 3.18Å; V104-S108 VanDerWaalsContact O-N 3.11Å; L105-S108 WeakPolarHBondContact O-CB 3.42Å; L105-S108 PolarHBondContact O-N 3.37Å; L105-S108 VanDerWaalsContact O-N 3.07Å; L105-S108 PolarHBondContact O-OG 3.22Å; L106-S108 VanDerWaalsContact C-N 3.25Å; L106-S108 PolarHBondContact O-N 3Å
109L87.8Confident88.8Confident32 Ų3281.8 Ų81.817%0.16841%0.41CS..SBendtrans-71.1160178.1-61.1176.1000111.2L105 L106 K111 V126L105-L109 WeakPolarHBondContact O-CG 3.31Å; L105-L109 PolarHBondContact O-N 3.2Å; L106-L109 HydrophobicContact CD2-CD1 4.23Å; L106-L109 PolarHBondContact O-N 2.98Å; L109-K111 PolarHBondContact O-N 2.56Å; L109-V126 HydrophobicContact CD1-CG2 3.84Å
110Q73.7Confident88.7Confident135 Ų13582.2 Ų82.263%0.63142%0.421SS*.PPolyproline II helixtrans-57.9126.2-177.7-129.9171.30.600110.9V118Q110-V118 HydrophobicContact CB-CG1 4.13Å; Q110-V118 VanDerWaalsContact OE1-CG1 3.25Å
111K75.7Confident88.7Confident191 Ų19179.8 Ų79.883%0.8342%0.423SS*.PPolyproline II helixtrans-61.8151.9-177.1-67.1-175.7178.9-179.70111.9L109 T113L109-K111 PolarHBondContact O-N 2.56Å; K111-T113 PolarHBondContact O-N 2.97Å
112E74.8Confident88.7Confident151 Ų15174.8 Ų74.871%0.70641%0.405SS*.SBendtrans-2104.1179.9-75.6179.3173.900115.6K72K72-E112 HydrophobicContact CB-CG 4.21Å; K72-E112 HydrophobicContact CG-CG 4.44Å
113T85.1Confident88.6Confident21 Ų2175.8 Ų75.813%0.12941%0.41CS..  trans-147.2144.3176.9172.90000110.4S70 T71 K111 F115 V118S70-T113 VanDerWaalsContact CA-O 3.27Å; S70-T113 WeakPolarHBondContact CA-O 3.35Å; T71-T113 HydrophobicContact CG2-CG2 3.48Å; T71-T113 VanDerWaalsContact CG2-CG2 3.48Å; T71-T113 PolarHBondContact N-O 3.29Å; T71-T113 PolarHBondContact OG1-N 2.94Å; K111-T113 PolarHBondContact O-N 2.97Å; T113-F115 WeakPolarHBondContact OG1-CD2 3.34Å; T113-F115 PolarHBondContact OG1-N 3.49Å; T113-F115 VanDerWaalsContact OG1-N 3.12Å; T113-V118 HydrophobicContact CG2-CB 3.87Å; T113-V118 HydrophobicContact CG2-CG1 3.5Å
114E86.4Confident88.7Confident159 Ų15977 Ų7774%0.74342%0.419SS*.  trans-102.21.3174.7-62.6176.7179.400111.6P116E114-P116 WeakPolarHBondContact O-CD 3.44Å
115F88.9Confident88.8Confident152 Ų15274.9 Ų74.967%0.66741%0.408SS*.  trans-66.5115.8-179.8-70.7-61.2000110.2T113 A117 V118 V119T113-F115 WeakPolarHBondContact OG1-CD2 3.34Å; T113-F115 PolarHBondContact OG1-N 3.49Å; T113-F115 VanDerWaalsContact OG1-N 3.12Å; F115-A117 VanDerWaalsContact C-N 3.28Å; F115-A117 PolarHBondContact O-N 2.66Å; F115-A117 VanDerWaalsContact O-N 3.13Å; F115-V118 HydrophobicContact CB-CB 4.33Å; F115-V118 HydrophobicContact CB-CG2 3.93Å; F115-V118 PolarHBondContact O-N 3.36Å; F115-V119 PolarHBondContact O-N 3.2Å; F115-V119 VanDerWaalsContact O-N 3.11Å
116P88.2Confident88.9Confident99 Ų9972.7 Ų72.764%0.64340%0.397SS*.Hα-helixtrans-55.4-40.8-170.6-29.636.4000113.7E114 V118 V119 T120E114-P116 WeakPolarHBondContact O-CD 3.44Å; P116-V118 VanDerWaalsContact C-N 3.28Å; P116-V118 PolarHBondContact O-N 2.93Å; P116-V119 PolarHBondContact O-N 2.69Å; P116-T120 PolarHBondContact O-N 3.43Å; P116-T120 PolarHBondContact O-OG1 3.33Å; P116-T120 VanDerWaalsContact O-OG1 3.06Å
117A89.2Confident89.2Confident80 Ų8072.4 Ų72.466%0.66140%0.395SS*.Hα-helixtrans-60.6-35.9177.900000113.1F115 A121F115-A117 VanDerWaalsContact C-N 3.28Å; F115-A117 PolarHBondContact O-N 2.66Å; F115-A117 VanDerWaalsContact O-N 3.13Å; A117-A121 WeakPolarHBondContact O-CB 3.36Å; A117-A121 PolarHBondContact O-N 3.39Å
118V90.6Very high89.5Confident32 Ų3271.5 Ų71.519%0.19439%0.391CS..Hα-helixtrans-76.5-36.6178.9-1740000111T71 Q110 T113 F115 P116 A121 S122T71-V118 HydrophobicContact CG2-CG1 4.43Å; Q110-V118 HydrophobicContact CB-CG1 4.13Å; Q110-V118 VanDerWaalsContact OE1-CG1 3.25Å; T113-V118 HydrophobicContact CG2-CB 3.87Å; T113-V118 HydrophobicContact CG2-CG1 3.5Å; F115-V118 HydrophobicContact CB-CB 4.33Å; F115-V118 HydrophobicContact CB-CG2 3.93Å; F115-V118 PolarHBondContact O-N 3.36Å; P116-V118 VanDerWaalsContact C-N 3.28Å; P116-V118 PolarHBondContact O-N 2.93Å; V118-A121 PolarHBondContact O-N 2.85Å; V118-S122 WeakPolarHBondContact O-CB 3.44Å; V118-S122 PolarHBondContact O-N 2.96Å; V118-S122 PolarHBondContact O-OG 3.41Å
119V91.5Very high89.9Confident5 Ų568.1 Ų68.13%0.0337%0.37CS..Hα-helixtrans-63.9-46.6174.3-176.20000110.5F68 T71 F115 P116 A121 S122 L123F68-V119 HydrophobicContact CB-CG1 3.84Å; F68-V119 WeakPolarHBondContact O-CG1 3.29Å; T71-V119 HydrophobicContact CG2-CG2 4.32Å; F115-V119 PolarHBondContact O-N 3.2Å; F115-V119 VanDerWaalsContact O-N 3.11Å; P116-V119 PolarHBondContact O-N 2.69Å; V119-A121 PolarHBondContact O-N 2.86Å; V119-S122 PolarHBondContact O-N 3.4Å; V119-L123 WeakPolarHBondContact O-CB 3.32Å; V119-L123 PolarHBondContact O-N 3.26Å
120T92.7Very high90.4Very high85 Ų8566.6 Ų66.652%0.52136%0.362SS..Hα-helixtrans-60.4-44.5175-56.40000111.8P116 S122 L123 C124P116-T120 PolarHBondContact O-N 3.43Å; P116-T120 PolarHBondContact O-OG1 3.33Å; P116-T120 VanDerWaalsContact O-OG1 3.06Å; T120-S122 VanDerWaalsContact C-N 3.34Å; T120-S122 PolarHBondContact O-N 3.4Å; T120-L123 PolarHBondContact O-N 2.83Å; T120-C124 PolarHBondContact O-N 2.66Å; T120-C124 PolarHBondContact O-SG 3.43Å; T120-C124 VanDerWaalsContact O-SG 3.35Å
121A92.8Very high91.6Very high51 Ų5161.8 Ų61.842%0.42134%0.339SS..Hα-helixtrans-60.7-43.7176.700000111.9A117 V118 V119 L123 C124 S125A117-A121 WeakPolarHBondContact O-CB 3.36Å; A117-A121 PolarHBondContact O-N 3.39Å; V118-A121 PolarHBondContact O-N 2.85Å; V119-A121 PolarHBondContact O-N 2.86Å; A121-L123 PolarHBondContact O-N 3.07Å; A121-C124 PolarHBondContact O-N 3.1Å; A121-S125 PolarHBondContact O-N 3.28Å; A121-S125 PolarHBondContact O-OG 2.98Å; A121-S125 VanDerWaalsContact O-OG 3.13Å
122S93.8Very high92.6Very high5 Ų554.4 Ų54.44%0.03531%0.314CS..Hα-helixtrans-62.1-42.9177.1-61.30000111.8T71 V118 V119 T120 S125 V126T71-S122 WeakPolarHBondContact CG2-OG 3.42Å; V118-S122 WeakPolarHBondContact O-CB 3.44Å; V118-S122 PolarHBondContact O-N 2.96Å; V118-S122 PolarHBondContact O-OG 3.41Å; V119-S122 PolarHBondContact O-N 3.4Å; T120-S122 VanDerWaalsContact C-N 3.34Å; T120-S122 PolarHBondContact O-N 3.4Å; S122-S125 PolarHBondContact O-N 2.84Å; S122-V126 WeakPolarHBondContact O-CG2 3.49Å; S122-V126 PolarHBondContact O-N 3.19Å
123L94.7Very high93.7Very high22 Ų2247.9 Ų47.912%0.11528%0.284CS..Hα-helixtrans-59.7-47.2174.8-177.8155.9000111.2L63 F68 L74 V119 T120 A121 S125 V126 I127L63-L123 HydrophobicContact CB-CD2 4.42Å; L63-L123 HydrophobicContact CB-CG 4.26Å; F68-L123 HydrophobicContact CD2-CD1 3.99Å; F68-L123 HydrophobicContact CE2-CD1 4.18Å; L74-L123 HydrophobicContact CD2-CB 4.12Å; V119-L123 WeakPolarHBondContact O-CB 3.32Å; V119-L123 PolarHBondContact O-N 3.26Å; T120-L123 PolarHBondContact O-N 2.83Å; A121-L123 PolarHBondContact O-N 3.07Å; L123-S125 PolarHBondContact O-N 3.2Å; L123-V126 PolarHBondContact O-N 2.86Å; L123-I127 HydrophobicContact CD2-CD1 3.53Å; L123-I127 HydrophobicContact CD2-CG1 4.39Å; L123-I127 WeakPolarHBondContact O-CG1 3.29Å; L123-I127 PolarHBondContact O-N 3.04Å; L123-I127 VanDerWaalsContact O-N 3.09Å
124C95.5Very high94.3Very high44 Ų4448.5 Ų48.530%0.29728%0.284SS..Hα-helixtrans-59.2-44.8175.6-69.10000111.9T120 A121 V126 I127 E128T120-C124 PolarHBondContact O-N 2.66Å; T120-C124 PolarHBondContact O-SG 3.43Å; T120-C124 VanDerWaalsContact O-SG 3.35Å; A121-C124 PolarHBondContact O-N 3.1Å; C124-V126 VanDerWaalsContact C-N 3.31Å; C124-V126 PolarHBondContact O-N 3.26Å; C124-I127 PolarHBondContact O-N 2.77Å; C124-E128 WeakPolarHBondContact O-CB 3.38Å; C124-E128 WeakPolarHBondContact O-CG 3.45Å; C124-E128 PolarHBondContact O-N 3.07Å
125S95.9Very high94.7Very high44 Ų4445.5 Ų45.531%0.30827%0.273SS..Hα-helixtrans-61.7-36.7177.8-61.80000112.9A121 S122 L123 G129A121-S125 PolarHBondContact O-N 3.28Å; A121-S125 PolarHBondContact O-OG 2.98Å; A121-S125 VanDerWaalsContact O-OG 3.13Å; S122-S125 PolarHBondContact O-N 2.84Å; L123-S125 PolarHBondContact O-N 3.2Å; S125-G129 PolarHBondContact O-N 3.2Å
126V97.3Very high95.1Very high1 Ų142.3 Ų42.31%0.00626%0.26CS..Hα-helixtrans-67.1-44175.41760000111.1L63 V78 L106 L109 S122 L123 C124 G129 I130L63-V126 HydrophobicContact CD1-CB 4.08Å; L63-V126 HydrophobicContact CD1-CG1 3.58Å; V78-V126 HydrophobicContact CG1-CG1 4.47Å; V78-V126 HydrophobicContact CG2-CG1 4.26Å; L106-V126 HydrophobicContact CD2-CG2 3.58Å; L109-V126 HydrophobicContact CD1-CG2 3.84Å; S122-V126 WeakPolarHBondContact O-CG2 3.49Å; S122-V126 PolarHBondContact O-N 3.19Å; L123-V126 PolarHBondContact O-N 2.86Å; C124-V126 VanDerWaalsContact C-N 3.31Å; C124-V126 PolarHBondContact O-N 3.26Å; V126-G129 PolarHBondContact O-N 2.69Å; V126-I130 HydrophobicContact CG1-CD1 3.98Å; V126-I130 WeakPolarHBondContact O-CG1 3.35Å; V126-I130 PolarHBondContact O-N 3.13Å
127I98Very high95.5Very high5 Ų538 Ų383%0.02623%0.232CC..Hα-helixtrans-59.5-49.1175.9-67.8172.3000110.2R10 A60 L63 L123 C124 G129 I130 E131R10-I127 HydrophobicContact CG-CG2 4.5Å; A60-I127 HydrophobicContact CB-CG1 4.46Å; A60-I127 HydrophobicContact CB-CG2 4.42Å; L63-I127 HydrophobicContact CB-CD1 3.93Å; L63-I127 HydrophobicContact CB-CG1 3.89Å; L63-I127 HydrophobicContact CD1-CG1 4.12Å; L123-I127 HydrophobicContact CD2-CD1 3.53Å; L123-I127 HydrophobicContact CD2-CG1 4.39Å; L123-I127 WeakPolarHBondContact O-CG1 3.29Å; L123-I127 PolarHBondContact O-N 3.04Å; L123-I127 VanDerWaalsContact O-N 3.09Å; C124-I127 PolarHBondContact O-N 2.77Å; I127-G129 VanDerWaalsContact C-N 3.32Å; I127-G129 PolarHBondContact O-N 2.77Å; I127-I130 WeakPolarHBondContact O-CB 3.42Å; I127-I130 PolarHBondContact O-N 2.78Å; I127-I130 VanDerWaalsContact O-N 3.15Å; I127-E131 HydrophobicContact CG2-CG 4.31Å; I127-E131 WeakPolarHBondContact O-CG 3.11Å; I127-E131 PolarHBondContact O-N 3.27Å
128E97.9Very high95.8Very high101 Ų10136.8 Ų36.847%0.47221%0.214SC..Hα-helixtrans-62.1-38.8179.1-72.6168.1-177.100112R10 C124 E131 A132R10-E128 IonicContact NH2-OE1 3.17Å; C124-E128 WeakPolarHBondContact O-CB 3.38Å; C124-E128 WeakPolarHBondContact O-CG 3.45Å; C124-E128 PolarHBondContact O-N 3.07Å; E128-E131 PolarHBondContact O-N 3.35Å; E128-A132 WeakPolarHBondContact O-CB 3.42Å; E128-A132 PolarHBondContact O-N 2.84Å
129G97.7Very high96.2Very high16 Ų1639.8 Ų39.817%0.16523%0.226CC..Hα-helixtrans-63.9-38.5174.200000113.2S125 V126 I127 I133S125-G129 PolarHBondContact O-N 3.2Å; V126-G129 PolarHBondContact O-N 2.69Å; I127-G129 VanDerWaalsContact C-N 3.32Å; I127-G129 PolarHBondContact O-N 2.77Å; G129-I133 VanDerWaalsContact O-CG1 3.29Å; G129-I133 WeakPolarHBondContact O-CG1 3.41Å; G129-I133 PolarHBondContact O-N 2.9Å; G129-I133 VanDerWaalsContact O-N 3.13Å
130I98.4Very high96.5Very high0 Ų040.8 Ų40.80%023%0.232CC..Hα-helixtrans-66.3-46.8173.9-71.2165.1000110.7I56 L57 I59 A60 L102 V126 I127 A132 I133 Y134I56-I130 HydrophobicContact CB-CG1 4.39Å; I56-I130 HydrophobicContact CB-CG2 4.02Å; I56-I130 HydrophobicContact CD1-CG2 4.17Å; I56-I130 HydrophobicContact CG1-CG2 3.89Å; I56-I130 WeakPolarHBondContact O-CG2 3.32Å; L57-I130 HydrophobicContact CD2-CG2 3.94Å; I59-I130 HydrophobicContact CB-CD1 4.16Å; I59-I130 HydrophobicContact CG2-CD1 4.08Å; A60-I130 HydrophobicContact CB-CB 4.31Å; A60-I130 HydrophobicContact CB-CD1 4.03Å; A60-I130 HydrophobicContact CB-CG2 3.89Å; L102-I130 HydrophobicContact CD1-CG1 3.98Å; L102-I130 HydrophobicContact CD2-CG1 3.66Å; L102-I130 HydrophobicContact CG-CG1 4.49Å; V126-I130 HydrophobicContact CG1-CD1 3.98Å; V126-I130 WeakPolarHBondContact O-CG1 3.35Å; V126-I130 PolarHBondContact O-N 3.13Å; I127-I130 WeakPolarHBondContact O-CB 3.42Å; I127-I130 PolarHBondContact O-N 2.78Å; I127-I130 VanDerWaalsContact O-N 3.15Å; I130-A132 VanDerWaalsContact C-N 3.29Å; I130-A132 PolarHBondContact O-N 3.02Å; I130-I133 PolarHBondContact O-N 3.46Å; I130-Y134 PolarHBondContact O-N 3.36Å
131E98.2Very high96.7Very high34 Ų3436.7 Ų36.716%0.15921%0.207CC..Hα-helixtrans-60.7-39177.5-71.2173.816600111.4Y8 R10 I127 E128 Y134 N135Y8-E131 HydrophobicContact CE1-CG 3.76Å; Y8-E131 PolarHBondContact OH-OE1 3.25Å; R10-E131 IonicContact CZ-OE1 3.72Å; R10-E131 IonicContact CZ-OE2 2.67Å; R10-E131 IonicContact NE-OE1 2.73Å; R10-E131 PolarHBondContact NE-OE1 3.32Å; R10-E131 IonicContact NE-OE2 3.59Å; R10-E131 IonicContact NH2-OE1 3.63Å; R10-E131 PolarHBondContact NH2-OE1 2.69Å; R10-E131 IonicContact NH2-OE2 3.66Å; R10-E131 PolarHBondContact NH2-OE2 3.4Å; I127-E131 HydrophobicContact CG2-CG 4.31Å; I127-E131 WeakPolarHBondContact O-CG 3.11Å; I127-E131 PolarHBondContact O-N 3.27Å; E128-E131 PolarHBondContact O-N 3.35Å; E131-Y134 PolarHBondContact O-N 2.93Å; E131-N135 PolarHBondContact O-N 3.46Å; E131-N135 PolarHBondContact O-ND2 3.02Å; E131-N135 VanDerWaalsContact O-ND2 3.16Å
132A97.5Very high96.9Very high36 Ų3637.8 Ų37.830%0.29820%0.202SC..Hα-helixtrans-62.3-47.1174.600000111.8E128 I130 Y134 N135 E136E128-A132 WeakPolarHBondContact O-CB 3.42Å; E128-A132 PolarHBondContact O-N 2.84Å; I130-A132 VanDerWaalsContact C-N 3.29Å; I130-A132 PolarHBondContact O-N 3.02Å; A132-Y134 VanDerWaalsContact C-N 3.26Å; A132-Y134 PolarHBondContact O-N 3.47Å; A132-N135 PolarHBondContact O-N 3.17Å; A132-E136 WeakPolarHBondContact O-CB 3.49Å; A132-E136 VanDerWaalsContact O-CG 3.24Å; A132-E136 WeakPolarHBondContact O-CG 3.38Å; A132-E136 PolarHBondContact O-N 3.47Å
133I97.2Very high97.1Very high13 Ų1341.1 Ų41.17%0.06722%0.219CC..Hα-helixtrans-58-41.4176-67.3164.6000111M53 I56 R101 L102 G129 I130 D137M53-I133 HydrophobicContact CE-CG2 3.82Å; M53-I133 HydrophobicContact SD-CG2 4.23Å; I56-I133 HydrophobicContact CD1-CB 3.83Å; I56-I133 HydrophobicContact CD1-CD1 4.35Å; I56-I133 HydrophobicContact CD1-CG2 3.47Å; I56-I133 VanDerWaalsContact CD1-CG2 3.47Å; R101-I133 HydrophobicContact CG-CD1 4.18Å; L102-I133 HydrophobicContact CD1-CD1 4.49Å; L102-I133 HydrophobicContact CD2-CD1 3.75Å; L102-I133 HydrophobicContact CG-CD1 3.86Å; G129-I133 VanDerWaalsContact O-CG1 3.29Å; G129-I133 WeakPolarHBondContact O-CG1 3.41Å; G129-I133 PolarHBondContact O-N 2.9Å; G129-I133 VanDerWaalsContact O-N 3.13Å; I130-I133 PolarHBondContact O-N 3.46Å; I133-D137 PolarHBondContact O-N 3.47Å
134Y97.3Very high97.3Very high35 Ų3540.1 Ų40.114%0.13721%0.214CC..Hα-helixtrans-63.5-46.7178.1175.7-109.8000113I6 M53 L57 I130 E131 A132 D137 L138I6-Y134 HydrophobicContact CB-CE2 4.31Å; I6-Y134 HydrophobicContact CD1-CE2 4.21Å; I6-Y134 HydrophobicContact CG2-CE2 3.96Å; M53-Y134 HydrophobicContact CB-CD2 4.01Å; M53-Y134 HydrophobicContact CB-CE2 4.44Å; M53-Y134 HydrophobicContact CG-CD2 4Å; M53-Y134 HydrophobicContact SD-CD2 4.06Å; L57-Y134 HydrophobicContact CD1-CD2 3.64Å; L57-Y134 HydrophobicContact CD1-CE2 3.86Å; L57-Y134 HydrophobicContact CD1-CG 4.02Å; L57-Y134 HydrophobicContact CD2-CG 4.2Å; L57-Y134 HydrophobicContact CG-CD2 4.45Å; I130-Y134 PolarHBondContact O-N 3.36Å; E131-Y134 PolarHBondContact O-N 2.93Å; A132-Y134 VanDerWaalsContact C-N 3.26Å; A132-Y134 PolarHBondContact O-N 3.47Å; Y134-D137 PolarHBondContact O-N 2.9Å; Y134-L138 PolarHBondContact O-N 3.42Å
135N96.2Very high97.5Very high96 Ų9638 Ų3851%0.51320%0.2SC..Hα-helixtrans-66.4-38.7178.5-68.4-34.6000111.9E131 A132 D137 L138 E139E131-N135 PolarHBondContact O-N 3.46Å; E131-N135 PolarHBondContact O-ND2 3.02Å; E131-N135 VanDerWaalsContact O-ND2 3.16Å; A132-N135 PolarHBondContact O-N 3.17Å; N135-D137 VanDerWaalsContact C-N 3.33Å; N135-D137 PolarHBondContact O-N 3.02Å; N135-L138 PolarHBondContact O-N 3.02Å; N135-E139 PolarHBondContact O-N 2.77Å
136E96.6Very high97.6Very high84 Ų8441.4 Ų41.439%0.39321%0.211SC..Hα-helixtrans-64.1-35.9176.5-74.4171.3-149.100112.7R101 A132 L138 E139 T140R101-E136 IonicContact CZ-OE1 3.85Å; R101-E136 IonicContact CZ-OE2 2.66Å; R101-E136 IonicContact NH1-OE1 2.77Å; R101-E136 IonicContact NH1-OE2 3.81Å; R101-E136 PolarHBondContact NH1-OE2 2.91Å; R101-E136 IonicContact NH2-OE1 3.13Å; R101-E136 PolarHBondContact NH2-OE1 3.16Å; R101-E136 IonicContact NH2-OE2 2.9Å; R101-E136 PolarHBondContact NH2-OE2 2.88Å; A132-E136 WeakPolarHBondContact O-CB 3.49Å; A132-E136 VanDerWaalsContact O-CG 3.24Å; A132-E136 WeakPolarHBondContact O-CG 3.38Å; A132-E136 PolarHBondContact O-N 3.47Å; E136-L138 VanDerWaalsContact C-N 3.27Å; E136-L138 PolarHBondContact O-N 2.86Å; E136-E139 PolarHBondContact O-N 3.07Å; E136-T140 WeakPolarHBondContact O-CB 3.2Å; E136-T140 PolarHBondContact O-N 3.05Å; E136-T140 PolarHBondContact O-OG1 2.86Å
137D96.7Very high97.6Very high10 Ų1045.2 Ų45.25%0.05323%0.228CC..Hα-helixtrans-58.6-41.1174.5-173.685.6000110.9M53 I133 Y134 N135 T140 N141 S176M53-D137 HydrophobicContact CE-CB 4.44Å; M53-D137 HydrophobicContact CG-CB 4.33Å; M53-D137 HydrophobicContact SD-CB 3.83Å; I133-D137 PolarHBondContact O-N 3.47Å; Y134-D137 PolarHBondContact O-N 2.9Å; N135-D137 VanDerWaalsContact C-N 3.33Å; N135-D137 PolarHBondContact O-N 3.02Å; D137-T140 WeakPolarHBondContact O-CB 3.25Å; D137-T140 PolarHBondContact O-N 3.12Å; D137-N141 PolarHBondContact O-N 3.1Å; D137-N141 PolarHBondContact O-ND2 2.9Å; D137-N141 PolarHBondContact OD2-ND2 3.07Å; D137-S176 VanDerWaalsContact C-OG 3.28Å; D137-S176 WeakPolarHBondContact CB-OG 3.43Å; D137-S176 WeakPolarHBondContact OD2-CB 3.42Å; D137-S176 PolarHBondContact OD2-N 3.32Å; D137-S176 PolarHBondContact OD2-OG 2.84Å
138L96.2Very high97.6Very high53 Ų5345 Ų4528%0.27723%0.227SC..Hα-helixtrans-65.9-46.9-179.9176.261000111.6Y134 N135 E136 T140 N141 K142 S176Y134-L138 PolarHBondContact O-N 3.42Å; N135-L138 PolarHBondContact O-N 3.02Å; E136-L138 VanDerWaalsContact C-N 3.27Å; E136-L138 PolarHBondContact O-N 2.86Å; L138-T140 VanDerWaalsContact C-N 3.32Å; L138-N141 PolarHBondContact O-N 2.87Å; L138-K142 PolarHBondContact O-N 3.18Å; L138-S176 WeakPolarHBondContact CA-OG 3.4Å; L138-S176 PolarHBondContact N-OG 3.29Å
139E97.4Very high97.6Very high95 Ų9540.2 Ų40.244%0.44421%0.205SC..Hα-helixtrans-65.3-38.5177.8-62.8-50.3128.600111.4N135 E136 N141 K142 L143N135-E139 PolarHBondContact O-N 2.77Å; E136-E139 PolarHBondContact O-N 3.07Å; E139-N141 VanDerWaalsContact C-N 3.33Å; E139-N141 PolarHBondContact O-N 2.81Å; E139-K142 PolarHBondContact O-N 3.17Å; E139-K142 IonicContact OE1-NZ 2.76Å; E139-K142 PolarHBondContact OE1-NZ 3.02Å; E139-K142 IonicContact OE2-NZ 3.49Å; E139-K142 PolarHBondContact OE2-NZ 2.86Å; E139-L143 WeakPolarHBondContact O-CG 3.34Å; E139-L143 PolarHBondContact O-N 2.83Å
140T97.6Very high97.5Very high26 Ų2644 Ų4416%0.1623%0.225CC..Hα-helixtrans-56.8-45.6172.7-63.50000111.2E136 D137 L138 K142 L143 I144 P281 E340E136-T140 WeakPolarHBondContact O-CB 3.2Å; E136-T140 PolarHBondContact O-N 3.05Å; E136-T140 PolarHBondContact O-OG1 2.86Å; D137-T140 WeakPolarHBondContact O-CB 3.25Å; D137-T140 PolarHBondContact O-N 3.12Å; L138-T140 VanDerWaalsContact C-N 3.32Å; T140-K142 VanDerWaalsContact C-N 3.35Å; T140-K142 PolarHBondContact O-N 2.86Å; T140-L143 PolarHBondContact O-N 3.29Å; T140-I144 HydrophobicContact CG2-CD1 3.93Å; T140-I144 VanDerWaalsContact O-CG1 3.27Å; T140-I144 WeakPolarHBondContact O-CG1 3.25Å; T140-I144 PolarHBondContact O-N 3.25Å; T140-P281 HydrophobicContact CG2-CB 3.53Å; T140-E340 HydrophobicContact CG2-CB 3.85Å; T140-E340 HydrophobicContact CG2-CG 3.9Å
141N97.8Very high97.5Very high0 Ų044.5 Ų44.50%023%0.229CC..Hα-helixtrans-63.3-38.9179.1-65.8-41.1000112.5D137 L138 E139 G145 T175 S176 G177 F178D137-N141 PolarHBondContact O-N 3.1Å; D137-N141 PolarHBondContact O-ND2 2.9Å; D137-N141 PolarHBondContact OD2-ND2 3.07Å; L138-N141 PolarHBondContact O-N 2.87Å; E139-N141 VanDerWaalsContact C-N 3.33Å; E139-N141 PolarHBondContact O-N 2.81Å; N141-G145 PolarHBondContact O-N 2.62Å; N141-G145 VanDerWaalsContact O-N 3.1Å; N141-T175 VanDerWaalsContact ND2-CB 3.32Å; N141-T175 WeakPolarHBondContact ND2-CB 3.31Å; N141-S176 PolarHBondContact ND2-OG 3.46Å; N141-G177 WeakPolarHBondContact CB-O 3.26Å; N141-G177 PolarHBondContact ND2-O 3.37Å; N141-G177 VanDerWaalsContact ND2-O 3.13Å; N141-F178 HydrophobicContact CB-CB 4.19Å; N141-F178 WeakPolarHBondContact O-CD1 3.36Å
142K97.8Very high97.4Very high73 Ų7342.9 Ų42.932%0.31722%0.222SC..Hα-helixtrans-63.7-47.1175.4-66.9171.9-174.6165.30111.4L138 E139 T140 I144 G145 E146 F178L138-K142 PolarHBondContact O-N 3.18Å; E139-K142 PolarHBondContact O-N 3.17Å; E139-K142 IonicContact OE1-NZ 2.76Å; E139-K142 PolarHBondContact OE1-NZ 3.02Å; E139-K142 IonicContact OE2-NZ 3.49Å; E139-K142 PolarHBondContact OE2-NZ 2.86Å; T140-K142 VanDerWaalsContact C-N 3.35Å; T140-K142 PolarHBondContact O-N 2.86Å; K142-I144 PolarHBondContact O-N 2.9Å; K142-G145 WeakPolarHBondContact O-CA 3.32Å; K142-G145 PolarHBondContact O-N 3.45Å; K142-E146 PolarHBondContact O-N 3.42Å; K142-F178 HydrophobicContact CG-CB 4.42Å; K142-F178 HydrophobicContact CG-CD2 4.43Å; K142-F178 HydrophobicContact CG-CG 4.23Å
143L98.3Very high97.3Very high76 Ų7642.8 Ų42.840%0.39822%0.219SC..Hα-helixtrans-60.7-44.5178.1-71.5171.5000112E139 T140 G145 E146 E147 E340E139-L143 WeakPolarHBondContact O-CG 3.34Å; E139-L143 PolarHBondContact O-N 2.83Å; T140-L143 PolarHBondContact O-N 3.29Å; L143-G145 PolarHBondContact O-N 2.8Å; L143-E146 PolarHBondContact O-N 3.26Å; L143-E147 WeakPolarHBondContact O-CB 3.49Å; L143-E147 WeakPolarHBondContact O-CG 3.19Å; L143-E147 PolarHBondContact O-N 2.96Å; L143-E340 HydrophobicContact CB-CB 3.82Å; L143-E340 HydrophobicContact CD1-CB 4.22Å
144I98.6Very high97.2Very high0 Ų046.7 Ų46.70%025%0.247CC..Hα-helixtrans-55.1-41.9172.7-69.2164000110.6T140 K142 G148 T180 I184 A279 P281 V338 E340T140-I144 HydrophobicContact CG2-CD1 3.93Å; T140-I144 VanDerWaalsContact O-CG1 3.27Å; T140-I144 WeakPolarHBondContact O-CG1 3.25Å; T140-I144 PolarHBondContact O-N 3.25Å; K142-I144 PolarHBondContact O-N 2.9Å; I144-G148 WeakPolarHBondContact O-CA 3.39Å; I144-G148 PolarHBondContact O-N 3.13Å; I144-T180 HydrophobicContact CD1-CG2 4.07Å; I144-I184 HydrophobicContact CG2-CD1 4.01Å; I144-I184 HydrophobicContact CG2-CG1 4.19Å; I144-I184 VanDerWaalsContact O-CG1 3.26Å; I144-I184 WeakPolarHBondContact O-CG1 3.26Å; I144-A279 HydrophobicContact CG2-CB 4Å; I144-P281 HydrophobicContact CD1-CB 4.05Å; I144-V338 HydrophobicContact CG2-CG1 4.36Å; I144-E340 HydrophobicContact CG1-CB 4.17Å; I144-E340 VanDerWaalsContact CG1-N 3.34Å
145G98.3Very high96.9Very high0 Ų047.4 Ų47.40%026%0.255CS..Hα-helixtrans-57.3-50.217600000113.9N141 K142 L143 A149 S187N141-G145 PolarHBondContact O-N 2.62Å; N141-G145 VanDerWaalsContact O-N 3.1Å; K142-G145 WeakPolarHBondContact O-CA 3.32Å; K142-G145 PolarHBondContact O-N 3.45Å; L143-G145 PolarHBondContact O-N 2.8Å; G145-A149 VanDerWaalsContact O-CB 3.24Å; G145-A149 WeakPolarHBondContact O-CB 3.21Å; G145-A149 PolarHBondContact O-N 3.03Å; G145-S187 VanDerWaalsContact O-CB 3.25Å; G145-S187 WeakPolarHBondContact O-CB 3.33Å; G145-S187 PolarHBondContact O-OG 3.16Å
146E97.8Very high96.8Very high116 Ų11643.6 Ų43.654%0.54223%0.234SC..Hα-helixtrans-67.7-50.2-178.5-68176-179.900112K142 L143 G148 A149 T150K142-E146 PolarHBondContact O-N 3.42Å; L143-E146 PolarHBondContact O-N 3.26Å; E146-G148 PolarHBondContact O-N 2.99Å; E146-A149 PolarHBondContact O-N 3.32Å; E146-T150 PolarHBondContact O-N 2.8Å; E146-T150 VanDerWaalsContact O-N 3.1Å; E146-T150 PolarHBondContact O-OG1 2.76Å
147E97.9Very high96.2Very high80 Ų8042.1 Ų42.137%0.37423%0.232SC..Hα-helixtrans-61.2-45.2177.9-72.2-6014500111.4L143 T150 A151 V338 G342L143-E147 WeakPolarHBondContact O-CB 3.49Å; L143-E147 WeakPolarHBondContact O-CG 3.19Å; L143-E147 PolarHBondContact O-N 2.96Å; E147-T150 PolarHBondContact O-N 2.74Å; E147-A151 WeakPolarHBondContact O-CB 3.25Å; E147-A151 PolarHBondContact O-N 2.94Å; E147-V338 HydrophobicContact CB-CG1 4.43Å; E147-G342 WeakPolarHBondContact OE2-CA 3.09Å
148G98.3Very high95.6Very high0 Ų047.8 Ų47.80%026%0.263CS..Hα-helixtrans-68.8-36179.200000113.6I144 E146 T150 A151 I152 I184 V338I144-G148 WeakPolarHBondContact O-CA 3.39Å; I144-G148 PolarHBondContact O-N 3.13Å; E146-G148 PolarHBondContact O-N 2.99Å; G148-T150 VanDerWaalsContact C-N 3.31Å; G148-A151 PolarHBondContact O-N 2.62Å; G148-I152 VanDerWaalsContact O-CB 3.31Å; G148-I152 WeakPolarHBondContact O-CB 3.41Å; G148-I152 VanDerWaalsContact O-CG1 3.26Å; G148-I152 WeakPolarHBondContact O-CG1 3.48Å; G148-I152 PolarHBondContact O-N 2.71Å; G148-I184 VanDerWaalsContact C-CG2 3.46Å; G148-V338 VanDerWaalsContact CA-CG1 3.45Å
149A98Very high94.6Very high2 Ų253.5 Ų53.52%0.01729%0.293CS..Hα-helixtrans-64.7-40.317500000111G145 E146 S153 L188G145-A149 VanDerWaalsContact O-CB 3.24Å; G145-A149 WeakPolarHBondContact O-CB 3.21Å; G145-A149 PolarHBondContact O-N 3.03Å; E146-A149 PolarHBondContact O-N 3.32Å; A149-S153 WeakPolarHBondContact O-CB 3.17Å; A149-S153 PolarHBondContact O-N 3.07Å; A149-S153 PolarHBondContact O-OG 3.36Å; A149-L188 HydrophobicContact CB-CD2 3.93Å; A149-L188 HydrophobicContact CB-CG 3.98Å
150T96.6Very high94.2Very high95 Ų9557.1 Ų57.158%0.58330%0.303SS*.Hα-helixtrans-62.8-49.7174.5-570000111.2E146 E147 G148 S153 S154E146-T150 PolarHBondContact O-N 2.8Å; E146-T150 VanDerWaalsContact O-N 3.1Å; E146-T150 PolarHBondContact O-OG1 2.76Å; E147-T150 PolarHBondContact O-N 2.74Å; G148-T150 VanDerWaalsContact C-N 3.31Å; T150-S153 PolarHBondContact O-OG 3.14Å; T150-S154 PolarHBondContact O-N 3.08Å
151A96.7Very high94.1Very high10 Ų1057.3 Ų57.38%0.08331%0.307CS..Hα-helixtrans-60.2-49.2178.900000112.6E147 G148 S154 V338 L343E147-A151 WeakPolarHBondContact O-CB 3.25Å; E147-A151 PolarHBondContact O-N 2.94Å; G148-A151 PolarHBondContact O-N 2.62Å; A151-S154 PolarHBondContact O-N 2.85Å; A151-S154 PolarHBondContact O-OG 3.42Å; A151-V338 HydrophobicContact CB-CG2 4.48Å; A151-L343 HydrophobicContact CB-CB 4.23Å; A151-L343 HydrophobicContact CB-CD1 4.33Å; A151-L343 HydrophobicContact CB-CD2 3.99Å; A151-L343 HydrophobicContact CB-CG 4.41Å
152I97.2Very high94.1Very high0 Ų057.3 Ų57.30%031%0.307CS..Hα-helixtrans-72.5-41.9-175.4-66.5179.8000111.5G148 S154 T155 F156 V164 I184 L188 A242 I244 F277G148-I152 VanDerWaalsContact O-CB 3.31Å; G148-I152 WeakPolarHBondContact O-CB 3.41Å; G148-I152 VanDerWaalsContact O-CG1 3.26Å; G148-I152 WeakPolarHBondContact O-CG1 3.48Å; G148-I152 PolarHBondContact O-N 2.71Å; I152-S154 PolarHBondContact O-N 3.3Å; I152-T155 PolarHBondContact O-N 3.36Å; I152-T155 PolarHBondContact O-OG1 2.83Å; I152-F156 HydrophobicContact CG2-CE1 3.58Å; I152-F156 HydrophobicContact CG2-CZ 3.58Å; I152-F156 WeakPolarHBondContact O-CD1 3.28Å; I152-F156 WeakPolarHBondContact O-CE1 3.39Å; I152-V164 HydrophobicContact CG2-CG1 4.16Å; I152-I184 HydrophobicContact CD1-CG2 3.69Å; I152-L188 HydrophobicContact CB-CD1 4.42Å; I152-L188 HydrophobicContact CG2-CD1 4.03Å; I152-A242 HydrophobicContact CG2-CB 3.83Å; I152-I244 HydrophobicContact CD1-CB 3.77Å; I152-I244 HydrophobicContact CD1-CD1 4.14Å; I152-I244 HydrophobicContact CD1-CG1 3.87Å; I152-I244 HydrophobicContact CD1-CG2 4.18Å; I152-F277 HydrophobicContact CD1-CD2 4.47Å; I152-F277 HydrophobicContact CG1-CD1 4.39Å; I152-F277 HydrophobicContact CG1-CD2 4.02Å; I152-F277 HydrophobicContact CG1-CE1 4.45Å; I152-F277 HydrophobicContact CG1-CE2 4.09Å; I152-F277 HydrophobicContact CG1-CG 4.17Å; I152-F277 HydrophobicContact CG1-CZ 4.31Å
153S96Very high94.1Very high35 Ų3554.2 Ų54.225%0.24529%0.294CS..Hα-helixtrans-63.3-27.9179.159.60000112.7A149 T150 T155 F156A149-S153 WeakPolarHBondContact O-CB 3.17Å; A149-S153 PolarHBondContact O-N 3.07Å; A149-S153 PolarHBondContact O-OG 3.36Å; T150-S153 PolarHBondContact O-OG 3.14Å; S153-T155 PolarHBondContact O-N 3.47Å; S153-F156 WeakPolarHBondContact O-CB 3.49Å; S153-F156 PolarHBondContact O-N 3.11Å
154S93.7Very high94.1Very high94 Ų9450.6 Ų50.666%0.65728%0.275SS*.THydrogen-bonded Turntrans-63-18.9173.581.30000113.9T150 A151 I152T150-S154 PolarHBondContact O-N 3.08Å; A151-S154 PolarHBondContact O-N 2.85Å; A151-S154 PolarHBondContact O-OG 3.42Å; I152-S154 PolarHBondContact O-N 3.3Å
155T91.5Very high94.1Very high50 Ų5050.6 Ų50.631%0.30728%0.275SS..THydrogen-bonded Turntrans-89.4-2.8175.481.30000113I152 S153 P275 F277I152-T155 PolarHBondContact O-N 3.36Å; I152-T155 PolarHBondContact O-OG1 2.83Å; S153-T155 PolarHBondContact O-N 3.47Å; T155-P275 HydrophobicContact CG2-CG 4.32Å; T155-F277 HydrophobicContact CG2-CE2 4.08Å; T155-F277 HydrophobicContact CG2-CZ 3.71Å
156F93.3Very high94.1Very high16 Ų1650.7 Ų50.77%0.0728%0.276CS..SBendtrans-83.8133.9-179.4-60-10.7000110.2I152 S153 V164 L188 S193 N241I152-F156 HydrophobicContact CG2-CE1 3.58Å; I152-F156 HydrophobicContact CG2-CZ 3.58Å; I152-F156 WeakPolarHBondContact O-CD1 3.28Å; I152-F156 WeakPolarHBondContact O-CE1 3.39Å; S153-F156 WeakPolarHBondContact O-CB 3.49Å; S153-F156 PolarHBondContact O-N 3.11Å; F156-V164 HydrophobicContact CE1-CG1 4.06Å; F156-V164 HydrophobicContact CZ-CG1 3.74Å; F156-L188 HydrophobicContact CE2-CD2 4.16Å; F156-L188 HydrophobicContact CZ-CD1 4.45Å; F156-L188 HydrophobicContact CZ-CD2 4.42Å; F156-S193 VanDerWaalsContact CE2-O 3.22Å; F156-S193 WeakPolarHBondContact CE2-O 3.48Å; F156-N241 HydrophobicContact CD1-CB 3.51Å; F156-N241 HydrophobicContact CE1-CB 3.61Å
157P85.4Confident94.2Very high54 Ų5445.2 Ų45.235%0.35125%0.25SS..G310 helixtrans-71.2150179.429.5-34.1000111.7N159 R160 N241P157-N159 VanDerWaalsContact C-N 3.27Å; P157-N159 PolarHBondContact O-N 3.06Å; P157-N159 VanDerWaalsContact O-N 3.14Å; P157-R160 PolarHBondContact O-N 3.19Å; P157-R160 VanDerWaalsContact O-N 3.12Å; P157-N241 VanDerWaalsContact CD-ND2 3.3Å; P157-N241 WeakPolarHBondContact CD-ND2 3.48Å
158D82.5Confident94.2Very high129 Ų12941.8 Ų41.869%0.6924%0.235SC*.G310 helixtrans58.327.5164.4-50.2-40.6000115.9R160D158-R160 HydrophobicContact CB-CG 4.24Å; D158-R160 PolarHBondContact O-N 2.91Å; D158-R160 VanDerWaalsContact O-N 3.08Å
159N76.3Confident94.2Very high173 Ų17342.2 Ų42.293%0.92524%0.237SC*.G310 helixtrans52.527.5-174.3-63.7-26.4000113.3P157P157-N159 VanDerWaalsContact C-N 3.27Å; P157-N159 PolarHBondContact O-N 3.06Å; P157-N159 VanDerWaalsContact O-N 3.14Å
160R89.4Confident94.2Very high171 Ų17142.6 Ų42.665%0.64524%0.24SC*.  trans-92.3153.9177-66.8-176.3-176.6171.14.1110.6P157 D158 G162P157-R160 PolarHBondContact O-N 3.19Å; P157-R160 VanDerWaalsContact O-N 3.12Å; D158-R160 HydrophobicContact CB-CG 4.24Å; D158-R160 PolarHBondContact O-N 2.91Å; D158-R160 VanDerWaalsContact O-N 3.08Å; R160-G162 PolarHBondContact O-N 3.27Å
161A95.2Very high94.2Very high30 Ų3038.1 Ų38.125%0.24821%0.212CC..  trans-56.2139168.300000110.6S193 E195 R239A161-S193 CarbonylContact C-O 3.44Å; A161-S193 WeakPolarHBondContact CA-O 3.38Å; A161-E195 HydrophobicContact CB-CB 3.91Å; A161-R239 PolarHBondContact O-NH2 2.94Å
162G97.1Very high94.2Very high0 Ų037.6 Ų37.60%021%0.208CC..EExtended strand (participates in β ladder)trans-105.3159.5-173.800000113R160 S193 E195 N241R160-G162 PolarHBondContact O-N 3.27Å; G162-S193 PolarHBondContact N-O 3Å; G162-E195 WeakPolarHBondContact O-CB 3.25Å; G162-E195 PolarHBondContact O-N 3.33Å; G162-N241 WeakPolarHBondContact CA-OD1 3.3Å
163V98.1Very high94.2Very high8 Ų837.6 Ų37.65%0.04821%0.208CC..EExtended strand (participates in β ladder)trans-105.8124.4174.4178.30000108.5E195 H196 Y198 R239 I240 N241V163-E195 HydrophobicContact CG2-CB 4.1Å; V163-E195 HydrophobicContact CG2-CG 4.27Å; V163-H196 VanDerWaalsContact CA-O 3.31Å; V163-H196 WeakPolarHBondContact CA-O 3.18Å; V163-H196 HydrophobicContact CG1-CB 4.4Å; V163-H196 HydrophobicContact CG2-CB 4.28Å; V163-Y198 HydrophobicContact CG1-CD2 3.64Å; V163-Y198 HydrophobicContact CG1-CE2 3.58Å; V163-R239 VanDerWaalsContact CB-O 3.31Å; V163-R239 WeakPolarHBondContact CB-O 3.26Å; V163-R239 WeakPolarHBondContact CG1-O 3.47Å; V163-I240 HydrophobicContact CG1-CD1 3.88Å; V163-N241 PolarHBondContact N-OD1 2.91Å; V163-N241 WeakPolarHBondContact O-CB 3.42Å; V163-N241 PolarHBondContact O-N 3.33Å
164V98.6Very high94.3Very high0 Ų036.1 Ų36.10%020%0.198CC..EExtended strand (participates in β ladder)trans-117.6157.3-178.5-54.80000111.8I152 F156 I185 L188 L194 H196 V197 Y198 A242I152-V164 HydrophobicContact CG2-CG1 4.16Å; F156-V164 HydrophobicContact CE1-CG1 4.06Å; F156-V164 HydrophobicContact CZ-CG1 3.74Å; V164-I185 HydrophobicContact CG2-CD1 4.39Å; V164-I185 HydrophobicContact CG2-CG1 4.01Å; V164-L188 HydrophobicContact CG1-CD1 4.35Å; V164-L194 HydrophobicContact CG1-CD1 4.39Å; V164-L194 HydrophobicContact CG2-CD1 3.69Å; V164-H196 PolarHBondContact N-O 3.23Å; V164-H196 VanDerWaalsContact N-O 3.07Å; V164-V197 HydrophobicContact CG2-CB 4.02Å; V164-V197 HydrophobicContact CG2-CG2 3.87Å; V164-V197 CarbonylContact O-C 3.48Å; V164-V197 WeakPolarHBondContact O-CA 3.34Å; V164-Y198 PolarHBondContact O-N 3.5Å; V164-A242 CarbonylContact C-O 3.47Å; V164-A242 VanDerWaalsContact CA-O 3.31Å; V164-A242 WeakPolarHBondContact CA-O 3.14Å; V164-A242 HydrophobicContact CG1-CB 4.37Å
165L98.9Very high94.4Very high0 Ų031.7 Ų31.70%017%0.167CC..EExtended strand (participates in β ladder)trans-116.3135.6172176.171.8000109.8Y198 T200 V226 V231 L234 M235 I240 A242 V243 I244 I265L165-Y198 CarbonylContact C-O 3.6Å; L165-Y198 VanDerWaalsContact CA-O 3.3Å; L165-Y198 WeakPolarHBondContact CA-O 3.26Å; L165-T200 HydrophobicContact CD1-CG2 4.47Å; L165-V226 HydrophobicContact CD1-CG2 4.41Å; L165-V231 HydrophobicContact CD2-CG1 3.64Å; L165-L234 HydrophobicContact CD1-CD2 4.04Å; L165-M235 HydrophobicContact CD2-CE 3.43Å; L165-M235 VanDerWaalsContact CD2-CE 3.43Å; L165-I240 HydrophobicContact CB-CG2 3.97Å; L165-A242 PolarHBondContact N-O 3.15Å; L165-V243 HydrophobicContact CB-CG2 4.28Å; L165-V243 HydrophobicContact CD2-CG2 4.16Å; L165-V243 CarbonylContact O-C 3.4Å; L165-V243 WeakPolarHBondContact O-CA 3.37Å; L165-I244 PolarHBondContact O-N 3.22Å; L165-I265 HydrophobicContact CD2-CG2 4.02Å
166T98.8Very high94.6Very high1 Ų129.7 Ų29.71%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-127.8164.8169.4-162.90000112.4I185 V197 Y198 F199 T200 T212 I244T166-I185 HydrophobicContact CG2-CD1 3.74Å; T166-V197 HydrophobicContact CG2-CG2 4.23Å; T166-Y198 PolarHBondContact N-O 3.31Å; T166-F199 HydrophobicContact CG2-CB 3.79Å; T166-F199 WeakPolarHBondContact O-CA 3.33Å; T166-T200 PolarHBondContact O-N 2.95Å; T166-T212 HydrophobicContact CG2-CG2 4.46Å; T166-I244 VanDerWaalsContact CA-O 3.31Å; T166-I244 WeakPolarHBondContact CA-O 3.33Å; T166-I244 VanDerWaalsContact CB-O 3.22Å; T166-I244 WeakPolarHBondContact CB-O 3.42Å; T166-I244 PolarHBondContact OG1-O 3.09Å
167H98.8Very high94.7Very high2 Ų229 Ų291%0.00915%0.153CC..  trans-135.7147.3-176.9-17869.2000109.9T200 V245 I260 T262 I265H167-T200 PolarHBondContact ND1-OG1 3.37Å; H167-V245 HydrophobicContact CB-CG1 3.91Å; H167-I260 PolarHBondContact NE2-O 3.21Å; H167-I260 VanDerWaalsContact NE2-O 3.14Å; H167-T262 PolarHBondContact CD2-OG1 2.93Å; H167-I265 HydrophobicContact CB-CD1 3.58Å; H167-I265 VanDerWaalsContact CG-CD1 3.43Å; H167-I265 WeakPolarHBondContact ND1-CD1 3.14Å
168C97.8Very high95.2Very high8 Ų828.5 Ų28.55%0.05415%0.145CC..SBendtrans63.9-153.1-174.6-161.80000112.9T202 T212 K259C168-T202 VanDerWaalsContact CA-OG1 3.31Å; C168-T202 WeakPolarHBondContact CA-OG1 3.47Å; C168-T202 HydrophobicContact CB-CG2 3.96Å; C168-T202 PolarHBondContact N-OG1 3.46Å; C168-T202 VanDerWaalsContact N-OG1 3.1Å; C168-T212 PolarHBondContact O-OG1 2.55Å; C168-K259 HydrophobicContact CB-CB 3.68Å; C168-K259 HydrophobicContact CB-CG 3.85Å
169N98Very high95.9Very high8 Ų822.3 Ų22.34%0.04311%0.112CC..  trans-129.5123.4177.1177.2-106.7000109.3Q207 L211 T212 E215N169-Q207 HydrophobicContact CB-CB 4.38Å; N169-L211 HydrophobicContact CB-CB 3.94Å; N169-L211 HydrophobicContact CB-CD1 4.24Å; N169-L211 WeakPolarHBondContact ND2-CB 3.46Å; N169-T212 VanDerWaalsContact CA-OG1 3.25Å; N169-T212 WeakPolarHBondContact CA-OG1 3.46Å; N169-T212 WeakPolarHBondContact CB-OG1 3.29Å; N169-T212 PolarHBondContact ND2-N 3.04Å; N169-T212 PolarHBondContact ND2-OG1 3.21Å; N169-E215 PolarHBondContact ND2-OE2 3.34Å
170T97.9Very high96.9Very high11 Ų1114.5 Ų14.57%0.0677%0.07CC..  trans-13924.8-173.452.60000110.7G179 T180 A181 L182T170-G179 CarbonylContact O-C 3.51Å; T170-G179 VanDerWaalsContact O-CA 3.25Å; T170-G179 WeakPolarHBondContact O-CA 3.48Å; T170-T180 PolarHBondContact O-N 3.22Å; T170-A181 HydrophobicContact CG2-CB 4.27Å; T170-A181 WeakPolarHBondContact OG1-CB 3.24Å; T170-L182 PolarHBondContact OG1-N 3.19Å; T170-L182 VanDerWaalsContact OG1-N 3.07Å
171G97.8Very high97.4Very high0 Ų06.4 Ų6.40%04%0.04CC..BIsolated β-bridgetrans-88.1-159.9-176.200000114.6L173 A174 T175 G179 E215G171-L173 PolarHBondContact O-N 3.48Å; G171-A174 PolarHBondContact O-N 3.05Å; G171-T175 PolarHBondContact O-OG1 3.35Å; G171-G179 VanDerWaalsContact O-CA 3.25Å; G171-G179 WeakPolarHBondContact O-CA 3.32Å; G171-E215 WeakPolarHBondContact CA-OE1 3.41Å
172S97.1Very high97.5Very high0 Ų05 Ų50%03%0.028CC..G310 helixtrans-64.3-24.6175.865.40000110.7V2 L3 S5 A174 T175 E215V2-S172 WeakPolarHBondContact CG1-OG 3.35Å; L3-S172 WeakPolarHBondContact O-CB 3.42Å; L3-S172 PolarHBondContact O-OG 3.03Å; S5-S172 PolarHBondContact OG-O 3.02Å; S5-S172 VanDerWaalsContact OG-O 3.08Å; S172-A174 VanDerWaalsContact C-N 3.25Å; S172-A174 PolarHBondContact O-N 3.25Å; S172-T175 PolarHBondContact O-N 2.72Å; S172-T175 VanDerWaalsContact O-O 3.12Å; S172-E215 PolarHBondContact N-OE1 2.91Å; S172-E215 PolarHBondContact OG-OE1 3.11Å
173L97.2Very high97.6Very high0 Ų05 Ų50%03%0.028CC..G310 helixtrans-69.6-21.4175.1-60.4-174000114.1L3 L16 Q18 L21 G171 L211 F214 E215L3-L173 HydrophobicContact CB-CD2 4.08Å; L16-L173 HydrophobicContact CD2-CD2 3.64Å; Q18-L173 PolarHBondContact NE2-O 3.37Å; L21-L173 HydrophobicContact CD1-CD1 3.57Å; G171-L173 PolarHBondContact O-N 3.48Å; L173-L211 HydrophobicContact CD1-CB 4.3Å; L173-L211 HydrophobicContact CD1-CD2 4.26Å; L173-F214 HydrophobicContact CD1-CD1 4.27Å; L173-E215 WeakPolarHBondContact CB-OE2 3.29Å; L173-E215 HydrophobicContact CD1-CG 3.79Å; L173-E215 HydrophobicContact CG-CG 3.82Å; L173-E215 WeakPolarHBondContact CG-OE2 3.39Å
174A97Very high97.6Very high4 Ų44.6 Ų4.63%0.0333%0.026CC..G310 helixtrans-100.91.2-177.800000113.6A50 G171 S172A50-A174 VanDerWaalsContact CB-C 3.45Å; A50-A174 WeakPolarHBondContact CB-O 3.33Å; A50-A174 PolarHBondContact N-O 3.08Å; A50-A174 VanDerWaalsContact N-O 3.08Å; G171-A174 PolarHBondContact O-N 3.05Å; S172-A174 VanDerWaalsContact C-N 3.25Å; S172-A174 PolarHBondContact O-N 3.25Å
175T96.9Very high97.6Very high1 Ų14.6 Ų4.61%0.0063%0.026CC..SBendtrans-141.6-174-171.4600000111.7S5 P49 N141 G171 S172 G177 G179 T180S5-T175 PolarHBondContact OG-O 3.37Å; P49-T175 HydrophobicContact CB-CG2 4.07Å; P49-T175 HydrophobicContact CG-CG2 4.08Å; N141-T175 VanDerWaalsContact ND2-CB 3.32Å; N141-T175 WeakPolarHBondContact ND2-CB 3.31Å; G171-T175 PolarHBondContact O-OG1 3.35Å; S172-T175 PolarHBondContact O-N 2.72Å; S172-T175 VanDerWaalsContact O-O 3.12Å; T175-G177 PolarHBondContact O-N 3.38Å; T175-G177 PolarHBondContact OG1-N 2.96Å; T175-G177 PolarHBondContact OG1-O 2.87Å; T175-G177 VanDerWaalsContact OG1-O 3.04Å; T175-G179 WeakPolarHBondContact OG1-CA 3.47Å; T175-G179 PolarHBondContact OG1-N 2.65Å; T175-T180 HydrophobicContact CG2-CG2 4.3Å
176S94.6Very high97.6Very high7 Ų75.3 Ų5.35%0.0493%0.028CC..SBendtrans-72-3.6167.260.80000113.9D137 L138 N141D137-S176 VanDerWaalsContact C-OG 3.28Å; D137-S176 WeakPolarHBondContact CB-OG 3.43Å; D137-S176 WeakPolarHBondContact OD2-CB 3.42Å; D137-S176 PolarHBondContact OD2-N 3.32Å; D137-S176 PolarHBondContact OD2-OG 2.84Å; L138-S176 WeakPolarHBondContact CA-OG 3.4Å; L138-S176 PolarHBondContact N-OG 3.29Å; N141-S176 PolarHBondContact ND2-OG 3.46Å
177G95.3Very high97.6Very high3 Ų36 Ų63%0.0313%0.033CC..SBendtrans145.6162.7179.500000111.1N141 T175 G179N141-G177 WeakPolarHBondContact CB-O 3.26Å; N141-G177 PolarHBondContact ND2-O 3.37Å; N141-G177 VanDerWaalsContact ND2-O 3.13Å; T175-G177 PolarHBondContact O-N 3.38Å; T175-G177 PolarHBondContact OG1-N 2.96Å; T175-G177 PolarHBondContact OG1-O 2.87Å; T175-G177 VanDerWaalsContact OG1-O 3.04Å; G177-G179 PolarHBondContact O-N 3.48Å
178F95.6Very high97.6Very high42 Ų425.9 Ų5.918%0.1843%0.033CC..SBendtrans65.4-50.7-178.6-159.9-96.4000115.9N141 K142 G183 R186 S187N141-F178 HydrophobicContact CB-CB 4.19Å; N141-F178 WeakPolarHBondContact O-CD1 3.36Å; K142-F178 HydrophobicContact CG-CB 4.42Å; K142-F178 HydrophobicContact CG-CD2 4.43Å; K142-F178 HydrophobicContact CG-CG 4.23Å; F178-G183 VanDerWaalsContact CE1-O 3.29Å; F178-G183 WeakPolarHBondContact CE1-O 3.13Å; F178-G183 WeakPolarHBondContact O-CA 3.44Å; F178-R186 HydrophobicContact CE2-CB 4.49Å; F178-R186 HydrophobicContact CZ-CB 4.27Å; F178-R186 PolarHBondContact O-NH1 2.73Å; F178-S187 WeakPolarHBondContact CZ-OG 3.14Å
179G97.5Very high97.6Very high0 Ų08.7 Ų8.70%05%0.045CC..BIsolated β-bridgetrans95.8171.9-179.300000114.6T170 G171 T175 G177T170-G179 CarbonylContact O-C 3.51Å; T170-G179 VanDerWaalsContact O-CA 3.25Å; T170-G179 WeakPolarHBondContact O-CA 3.48Å; G171-G179 VanDerWaalsContact O-CA 3.25Å; G171-G179 WeakPolarHBondContact O-CA 3.32Å; T175-G179 WeakPolarHBondContact OG1-CA 3.47Å; T175-G179 PolarHBondContact OG1-N 2.65Å; G177-G179 PolarHBondContact O-N 3.48Å
180T98.3Very high97.5Very high9 Ų916.5 Ų16.56%0.0558%0.081CC..SBendtrans-94.7-93.1176.860.30000110.5I144 T170 T175 L182 G183 I184 A279I144-T180 HydrophobicContact CD1-CG2 4.07Å; T170-T180 PolarHBondContact O-N 3.22Å; T175-T180 HydrophobicContact CG2-CG2 4.3Å; T180-L182 PolarHBondContact O-N 3.28Å; T180-G183 CarbonylContact O-C 3.57Å; T180-G183 WeakPolarHBondContact O-CA 3.3Å; T180-G183 PolarHBondContact O-N 3.11Å; T180-I184 WeakPolarHBondContact O-CG1 3.36Å; T180-I184 PolarHBondContact O-N 3.03Å; T180-A279 PolarHBondContact OG1-O 3.1Å
181A98.7Very high97.4Very high0 Ų019.9 Ų19.90%010%0.098CC..Hα-helixtrans-61.1-40.5179.300000112.9T170 G183 I184 I185 I244 A279T170-A181 HydrophobicContact CG2-CB 4.27Å; T170-A181 WeakPolarHBondContact OG1-CB 3.24Å; A181-G183 VanDerWaalsContact C-N 3.32Å; A181-I184 PolarHBondContact O-N 3.02Å; A181-I185 WeakPolarHBondContact O-CG1 3.31Å; A181-I185 PolarHBondContact O-N 3.32Å; A181-I244 HydrophobicContact CB-CD1 4.33Å; A181-I244 HydrophobicContact CB-CG1 3.7Å; A181-A279 HydrophobicContact CB-CB 4.33Å
182L98.6Very high97.4Very high1 Ų122.4 Ų22.41%0.00513%0.125CC..Hα-helixtrans-74.3-25.8173.6-164.567.4000112.1T170 T180 I185 R186 T212 E215 L216T170-L182 PolarHBondContact OG1-N 3.19Å; T170-L182 VanDerWaalsContact OG1-N 3.07Å; T180-L182 PolarHBondContact O-N 3.28Å; L182-I185 HydrophobicContact CD1-CB 4.27Å; L182-I185 HydrophobicContact CD1-CD1 3.87Å; L182-I185 HydrophobicContact CD1-CG2 4.39Å; L182-I185 PolarHBondContact O-N 2.99Å; L182-R186 WeakPolarHBondContact O-CG 3.39Å; L182-R186 PolarHBondContact O-N 3.13Å; L182-T212 HydrophobicContact CD1-CG2 4.1Å; L182-T212 HydrophobicContact CD2-CG2 4.32Å; L182-E215 HydrophobicContact CD2-CB 3.86Å; L182-E215 HydrophobicContact CD2-CG 4.46Å; L182-L216 HydrophobicContact CD1-CD1 4.47Å; L182-L216 HydrophobicContact CD1-CD2 3.67Å; L182-L216 HydrophobicContact CD1-CG 4.05Å
183G98.4Very high97.4Very high0 Ų023.9 Ų23.90%014%0.135CC..Hα-helixtrans-62.5-42.116900000112F178 T180 A181 I185 R186 S187F178-G183 VanDerWaalsContact CE1-O 3.29Å; F178-G183 WeakPolarHBondContact CE1-O 3.13Å; F178-G183 WeakPolarHBondContact O-CA 3.44Å; T180-G183 CarbonylContact O-C 3.57Å; T180-G183 WeakPolarHBondContact O-CA 3.3Å; T180-G183 PolarHBondContact O-N 3.11Å; A181-G183 VanDerWaalsContact C-N 3.32Å; G183-I185 VanDerWaalsContact C-N 3.33Å; G183-I185 PolarHBondContact O-N 3Å; G183-R186 WeakPolarHBondContact O-CB 3.37Å; G183-R186 PolarHBondContact O-N 2.72Å; G183-R186 VanDerWaalsContact O-N 3.15Å; G183-S187 PolarHBondContact O-N 3.36Å; G183-S187 PolarHBondContact O-OG 3.17Å
184I98.7Very high97.4Very high0 Ų024.5 Ų24.50%014%0.138CC..Hα-helixtrans-60.9-42.6172.5-65.2166000111.3I144 G148 I152 T180 A181 R186 S187 L188 I244 A279 V338I144-I184 HydrophobicContact CG2-CD1 4.01Å; I144-I184 HydrophobicContact CG2-CG1 4.19Å; I144-I184 VanDerWaalsContact O-CG1 3.26Å; I144-I184 WeakPolarHBondContact O-CG1 3.26Å; G148-I184 VanDerWaalsContact C-CG2 3.46Å; I152-I184 HydrophobicContact CD1-CG2 3.69Å; T180-I184 WeakPolarHBondContact O-CG1 3.36Å; T180-I184 PolarHBondContact O-N 3.03Å; A181-I184 PolarHBondContact O-N 3.02Å; I184-R186 VanDerWaalsContact C-N 3.29Å; I184-R186 PolarHBondContact O-N 3.21Å; I184-S187 PolarHBondContact O-N 2.94Å; I184-S187 VanDerWaalsContact O-N 3.16Å; I184-L188 HydrophobicContact CG2-CD1 4.06Å; I184-L188 HydrophobicContact CG2-CG 4.33Å; I184-L188 WeakPolarHBondContact O-CG 3.18Å; I184-L188 PolarHBondContact O-N 3.42Å; I184-I244 HydrophobicContact CD1-CD1 4.13Å; I184-I244 HydrophobicContact CD1-CG1 4.25Å; I184-A279 HydrophobicContact CD1-CB 3.39Å; I184-V338 HydrophobicContact CD1-CB 4.39Å; I184-V338 HydrophobicContact CD1-CG1 4Å
185I98.8Very high97.5Very high0 Ų029.2 Ų29.20%016%0.16CC..Hα-helixtrans-61.6-39.2175.7-68.1160.2000111V164 T166 A181 L182 G183 L188 H189 L194 V197 L216 I221 I244V164-I185 HydrophobicContact CG2-CD1 4.39Å; V164-I185 HydrophobicContact CG2-CG1 4.01Å; T166-I185 HydrophobicContact CG2-CD1 3.74Å; A181-I185 WeakPolarHBondContact O-CG1 3.31Å; A181-I185 PolarHBondContact O-N 3.32Å; L182-I185 HydrophobicContact CD1-CB 4.27Å; L182-I185 HydrophobicContact CD1-CD1 3.87Å; L182-I185 HydrophobicContact CD1-CG2 4.39Å; L182-I185 PolarHBondContact O-N 2.99Å; G183-I185 VanDerWaalsContact C-N 3.33Å; G183-I185 PolarHBondContact O-N 3Å; I185-L188 PolarHBondContact O-N 2.84Å; I185-H189 WeakPolarHBondContact O-CB 3.25Å; I185-H189 PolarHBondContact O-N 3.19Å; I185-L194 HydrophobicContact CG2-CD2 3.8Å; I185-V197 HydrophobicContact CD1-CG2 3.88Å; I185-V197 HydrophobicContact CG2-CB 4.19Å; I185-V197 HydrophobicContact CG2-CG1 4.11Å; I185-V197 HydrophobicContact CG2-CG2 4.34Å; I185-L216 HydrophobicContact CG2-CD2 4.24Å; I185-I221 HydrophobicContact CG2-CD1 4.47Å; I185-I221 HydrophobicContact CG2-CG2 4.33Å; I185-I244 HydrophobicContact CD1-CG2 4.13Å; I185-I244 HydrophobicContact CG1-CG2 4.23Å
186R98.3Very high97.5Very high14 Ų1431 Ų315%0.05317%0.168CC..Hα-helixtrans-61.5-44.1172.6-72.6170.2169.2108.68.5111.9F178 L182 G183 I184 H189 H190 E215 D219 I221F178-R186 HydrophobicContact CE2-CB 4.49Å; F178-R186 HydrophobicContact CZ-CB 4.27Å; F178-R186 PolarHBondContact O-NH1 2.73Å; L182-R186 WeakPolarHBondContact O-CG 3.39Å; L182-R186 PolarHBondContact O-N 3.13Å; G183-R186 WeakPolarHBondContact O-CB 3.37Å; G183-R186 PolarHBondContact O-N 2.72Å; G183-R186 VanDerWaalsContact O-N 3.15Å; I184-R186 VanDerWaalsContact C-N 3.29Å; I184-R186 PolarHBondContact O-N 3.21Å; R186-H189 PolarHBondContact O-N 3.25Å; R186-H190 WeakPolarHBondContact O-CB 3.17Å; R186-H190 PolarHBondContact O-N 2.83Å; R186-E215 IonicContact CZ-OE1 3.14Å; R186-E215 IonicContact NH1-OE1 2.69Å; R186-E215 PolarHBondContact NH1-OE1 2.72Å; R186-E215 VanDerWaalsContact NH1-OE1 3.07Å; R186-E215 IonicContact NH2-OE1 3.92Å; R186-E215 PolarHBondContact NH2-OE1 3.35Å; R186-D219 IonicContact CZ-OD2 3.92Å; R186-D219 IonicContact NE-OD2 3.4Å; R186-D219 PolarHBondContact NE-OD2 2.93Å; R186-D219 IonicContact NH2-OD2 2.96Å; R186-D219 PolarHBondContact NH2-OD2 3.34Å; R186-I221 HydrophobicContact CG-CD1 3.96Å
187S98.3Very high97.7Very high15 Ų1530.7 Ų30.711%0.10517%0.165CC..Hα-helixtrans-64.2-44176.9-67.70000112.4G145 F178 G183 I184 H189 H190 N191G145-S187 VanDerWaalsContact O-CB 3.25Å; G145-S187 WeakPolarHBondContact O-CB 3.33Å; G145-S187 PolarHBondContact O-OG 3.16Å; F178-S187 WeakPolarHBondContact CZ-OG 3.14Å; G183-S187 PolarHBondContact O-N 3.36Å; G183-S187 PolarHBondContact O-OG 3.17Å; I184-S187 PolarHBondContact O-N 2.94Å; I184-S187 VanDerWaalsContact O-N 3.16Å; S187-H189 VanDerWaalsContact C-N 3.3Å; S187-H189 PolarHBondContact O-N 3.01Å; S187-H190 PolarHBondContact O-N 3.16Å; S187-N191 VanDerWaalsContact O-CG 3.23Å; S187-N191 PolarHBondContact O-N 3.4Å; S187-N191 PolarHBondContact O-ND2 2.93Å; S187-N191 PolarHBondContact O-OD1 3.39Å
188L98.3Very high97.9Very high0 Ų032.1 Ų32.10%017%0.17CC..Hα-helixtrans-60.6-38.9174-71.2168.7000111.8A149 I152 F156 V164 I184 I185 N191 G192 S193 L194A149-L188 HydrophobicContact CB-CD2 3.93Å; A149-L188 HydrophobicContact CB-CG 3.98Å; I152-L188 HydrophobicContact CB-CD1 4.42Å; I152-L188 HydrophobicContact CG2-CD1 4.03Å; F156-L188 HydrophobicContact CE2-CD2 4.16Å; F156-L188 HydrophobicContact CZ-CD1 4.45Å; F156-L188 HydrophobicContact CZ-CD2 4.42Å; V164-L188 HydrophobicContact CG1-CD1 4.35Å; I184-L188 HydrophobicContact CG2-CD1 4.06Å; I184-L188 HydrophobicContact CG2-CG 4.33Å; I184-L188 WeakPolarHBondContact O-CG 3.18Å; I184-L188 PolarHBondContact O-N 3.42Å; I185-L188 PolarHBondContact O-N 2.84Å; L188-N191 WeakPolarHBondContact CA-OD1 3.32Å; L188-N191 PolarHBondContact O-OD1 3.21Å; L188-G192 PolarHBondContact O-N 3.48Å; L188-S193 CarbonylContact O-C 3.59Å; L188-S193 PolarHBondContact O-N 3.18Å; L188-L194 HydrophobicContact CB-CB 3.91Å; L188-L194 HydrophobicContact CB-CD1 4.46Å; L188-L194 PolarHBondContact O-N 3.49Å
189H98Very high98.1Very high68 Ų6830.3 Ų30.332%0.31516%0.162SC..Hα-helixtrans-68.1-46.6174.8178.4-113.5000111.6I185 R186 S187 N191 G192 L194 I221I185-H189 WeakPolarHBondContact O-CB 3.25Å; I185-H189 PolarHBondContact O-N 3.19Å; R186-H189 PolarHBondContact O-N 3.25Å; S187-H189 VanDerWaalsContact C-N 3.3Å; S187-H189 PolarHBondContact O-N 3.01Å; H189-N191 VanDerWaalsContact C-N 3.3Å; H189-N191 PolarHBondContact O-N 3.13Å; H189-G192 PolarHBondContact O-N 3.33Å; H189-G192 VanDerWaalsContact O-N 3.1Å; H189-L194 HydrophobicContact CB-CB 4.26Å; H189-L194 HydrophobicContact CB-CD2 3.92Å; H189-I221 HydrophobicContact CB-CD1 4.25Å; H189-I221 HydrophobicContact CB-CG1 4.1Å
190H97.1Very high98.1Very high172 Ų17230.3 Ų30.380%0.79616%0.162SC*.Hα-helixtrans-59.5-39.9-178.7179.864.2000112.5R186 S187 G192R186-H190 WeakPolarHBondContact O-CB 3.17Å; R186-H190 PolarHBondContact O-N 2.83Å; S187-H190 PolarHBondContact O-N 3.16Å; H190-G192 VanDerWaalsContact C-N 3.31Å
191N96Very high98.1Very high81 Ų8132 Ų3243%0.43317%0.17SC..THydrogen-bonded Turntrans-874.1179.774.716.4000114S187 L188 H189 S193S187-N191 VanDerWaalsContact O-CG 3.23Å; S187-N191 PolarHBondContact O-N 3.4Å; S187-N191 PolarHBondContact O-ND2 2.93Å; S187-N191 PolarHBondContact O-OD1 3.39Å; L188-N191 WeakPolarHBondContact CA-OD1 3.32Å; L188-N191 PolarHBondContact O-OD1 3.21Å; H189-N191 VanDerWaalsContact C-N 3.3Å; H189-N191 PolarHBondContact O-N 3.13Å; N191-S193 VanDerWaalsContact C-N 3.28Å; N191-S193 PolarHBondContact O-N 3.25Å; N191-S193 WeakPolarHBondContact OD1-CB 3.48Å; N191-S193 PolarHBondContact OD1-N 3.08Å; N191-S193 PolarHBondContact OD1-OG 2.89Å
192G96.2Very high98.1Very high54 Ų5432 Ų3256%0.55717%0.17SC*.THydrogen-bonded Turntrans75.38.7179.100000115.4L188 H189 H190L188-G192 PolarHBondContact O-N 3.48Å; H189-G192 PolarHBondContact O-N 3.33Å; H189-G192 VanDerWaalsContact O-N 3.1Å; H190-G192 VanDerWaalsContact C-N 3.31Å
193S97.2Very high98Very high30 Ų3034.7 Ų34.721%0.2118%0.18CC..  trans-84.5-10.1178.1-54.40000113.4F156 A161 G162 L188 N191F156-S193 VanDerWaalsContact CE2-O 3.22Å; F156-S193 WeakPolarHBondContact CE2-O 3.48Å; A161-S193 CarbonylContact C-O 3.44Å; A161-S193 WeakPolarHBondContact CA-O 3.38Å; G162-S193 PolarHBondContact N-O 3Å; L188-S193 CarbonylContact O-C 3.59Å; L188-S193 PolarHBondContact O-N 3.18Å; N191-S193 VanDerWaalsContact C-N 3.28Å; N191-S193 PolarHBondContact O-N 3.25Å; N191-S193 WeakPolarHBondContact OD1-CB 3.48Å; N191-S193 PolarHBondContact OD1-N 3.08Å; N191-S193 PolarHBondContact OD1-OG 2.89Å
194L98.2Very high97.8Very high13 Ų1335.5 Ų35.57%0.06819%0.185CC..EExtended strand (participates in β ladder)trans-94.5120.4176.6-170.272.1000111.3V164 I185 L188 H189 I221V164-L194 HydrophobicContact CG1-CD1 4.39Å; V164-L194 HydrophobicContact CG2-CD1 3.69Å; I185-L194 HydrophobicContact CG2-CD2 3.8Å; L188-L194 HydrophobicContact CB-CB 3.91Å; L188-L194 HydrophobicContact CB-CD1 4.46Å; L188-L194 PolarHBondContact O-N 3.49Å; H189-L194 HydrophobicContact CB-CB 4.26Å; H189-L194 HydrophobicContact CB-CD2 3.92Å; L194-I221 HydrophobicContact CD2-CG2 3.51Å
195E97.7Very high97.6Very high104 Ų10436.1 Ų36.149%0.48619%0.189SC..EExtended strand (participates in β ladder)trans-82.1-50.6168.2-177-174.9154.300109.9A161 G162 V163 R239A161-E195 HydrophobicContact CB-CB 3.91Å; G162-E195 WeakPolarHBondContact O-CB 3.25Å; G162-E195 PolarHBondContact O-N 3.33Å; V163-E195 HydrophobicContact CG2-CB 4.1Å; V163-E195 HydrophobicContact CG2-CG 4.27Å; E195-R239 IonicContact OE2-CZ 3.95Å; E195-R239 IonicContact OE2-NH2 2.69Å; E195-R239 PolarHBondContact OE2-NH2 3.47Å
196H98.5Very high97.5Very high38 Ų3837.1 Ų37.118%0.17619%0.194CC..EExtended strand (participates in β ladder)trans-159.9151-175.4-158.881.5000111.4V163 V164 Y198 C223 T224V163-H196 VanDerWaalsContact CA-O 3.31Å; V163-H196 WeakPolarHBondContact CA-O 3.18Å; V163-H196 HydrophobicContact CG1-CB 4.4Å; V163-H196 HydrophobicContact CG2-CB 4.28Å; V164-H196 PolarHBondContact N-O 3.23Å; V164-H196 VanDerWaalsContact N-O 3.07Å; H196-Y198 AromaticContact CD2-CE2 3.9Å; H196-Y198 AromaticContact CD2-CZ 3.97Å; H196-C223 VanDerWaalsContact CE1-C 3.48Å; H196-C223 PolarHBondContact CE1-N 3.34Å; H196-C223 VanDerWaalsContact NE2-C 3.3Å; H196-T224 PolarHBondContact CE1-OG1 2.93Å; H196-T224 WeakPolarHBondContact NE2-CB 3.49Å; H196-T224 PolarHBondContact NE2-N 2.95Å; H196-T224 PolarHBondContact NE2-OG1 2.85Å
197V98.8Very high97.4Very high0 Ų037 Ų370%019%0.194CC..EExtended strand (participates in β ladder)trans-118.8125.2169.658.30000111.9V164 T166 I185 L216 I221 P222 C223 T224V164-V197 HydrophobicContact CG2-CB 4.02Å; V164-V197 HydrophobicContact CG2-CG2 3.87Å; V164-V197 CarbonylContact O-C 3.48Å; V164-V197 WeakPolarHBondContact O-CA 3.34Å; T166-V197 HydrophobicContact CG2-CG2 4.23Å; I185-V197 HydrophobicContact CD1-CG2 3.88Å; I185-V197 HydrophobicContact CG2-CB 4.19Å; I185-V197 HydrophobicContact CG2-CG1 4.11Å; I185-V197 HydrophobicContact CG2-CG2 4.34Å; V197-L216 HydrophobicContact CG1-CD1 3.94Å; V197-L216 HydrophobicContact CG1-CD2 3.79Å; V197-I221 HydrophobicContact CG1-CG2 3.82Å; V197-P222 WeakPolarHBondContact CG1-O 3.3Å; V197-P222 PolarHBondContact N-O 3.37Å; V197-C223 HydrophobicContact CG1-CB 3.67Å; V197-C223 CarbonylContact O-C 3.6Å; V197-C223 WeakPolarHBondContact O-CA 3.48Å; V197-T224 PolarHBondContact O-N 2.84Å
198Y98.9Very high97.4Very high34 Ų3436.3 Ų36.313%0.13319%0.189CC..EExtended strand (participates in β ladder)trans-87.5141.9162.9-68.4-82.4000109.6V163 V164 L165 T166 H196 T224 V226 L234 I240V163-Y198 HydrophobicContact CG1-CD2 3.64Å; V163-Y198 HydrophobicContact CG1-CE2 3.58Å; V164-Y198 PolarHBondContact O-N 3.5Å; L165-Y198 CarbonylContact C-O 3.6Å; L165-Y198 VanDerWaalsContact CA-O 3.3Å; L165-Y198 WeakPolarHBondContact CA-O 3.26Å; T166-Y198 PolarHBondContact N-O 3.31Å; H196-Y198 AromaticContact CD2-CE2 3.9Å; H196-Y198 AromaticContact CD2-CZ 3.97Å; Y198-T224 WeakPolarHBondContact CA-O 3.47Å; Y198-T224 HydrophobicContact CD1-CG2 4Å; Y198-T224 HydrophobicContact CE1-CG2 3.82Å; Y198-V226 HydrophobicContact CD1-CG1 3.85Å; Y198-L234 HydrophobicContact CD1-CD1 3.79Å; Y198-L234 HydrophobicContact CD1-CD2 4.04Å; Y198-L234 HydrophobicContact CD2-CD1 4.28Å; Y198-L234 HydrophobicContact CD2-CD2 4.24Å; Y198-L234 HydrophobicContact CE1-CD1 3.68Å; Y198-L234 HydrophobicContact CE2-CD1 4.17Å; Y198-L234 HydrophobicContact CG-CD1 4.09Å; Y198-L234 HydrophobicContact CG-CD2 3.75Å; Y198-I240 HydrophobicContact CD2-CD1 3.51Å; Y198-I240 HydrophobicContact CE2-CD1 3.92Å; Y198-I240 HydrophobicContact CG-CD1 4.38Å
199F98.8Very high97.4Very high3 Ų337.5 Ų37.51%0.01320%0.199CC..EExtended strand (participates in β ladder)trans-141.1143173.866.6-83.5000110.7T166 G208 T212 L216 C223 T224 M225 V226T166-F199 HydrophobicContact CG2-CB 3.79Å; T166-F199 WeakPolarHBondContact O-CA 3.33Å; F199-G208 VanDerWaalsContact CE2-O 3.28Å; F199-G208 WeakPolarHBondContact CE2-O 3.38Å; F199-T212 HydrophobicContact CB-CG2 4.07Å; F199-T212 HydrophobicContact CD2-CG2 4.03Å; F199-T212 HydrophobicContact CG-CG2 4.01Å; F199-L216 HydrophobicContact CD1-CD1 3.47Å; F199-L216 VanDerWaalsContact CD1-CD1 3.47Å; F199-L216 HydrophobicContact CE1-CD1 3.73Å; F199-L216 HydrophobicContact CG-CD1 4.08Å; F199-C223 HydrophobicContact CD1-CB 4.18Å; F199-C223 HydrophobicContact CE1-CB 3.89Å; F199-T224 PolarHBondContact N-O 3.04Å; F199-T224 VanDerWaalsContact N-O 3.09Å; F199-M225 HydrophobicContact CD2-CB 4.46Å; F199-M225 HydrophobicContact CD2-CG 4.26Å; F199-M225 HydrophobicContact CE1-CB 4.14Å; F199-M225 HydrophobicContact CE2-CB 3.73Å; F199-M225 HydrophobicContact CE2-CG 3.67Å; F199-M225 HydrophobicContact CE2-SD 4.06Å; F199-M225 HydrophobicContact CZ-CB 3.56Å; F199-M225 HydrophobicContact CZ-CG 4.05Å; F199-M225 CarbonylContact O-C 3.6Å; F199-M225 VanDerWaalsContact O-CA 3.32Å; F199-M225 WeakPolarHBondContact O-CA 3.45Å; F199-V226 WeakPolarHBondContact O-CG2 3.45Å; F199-V226 PolarHBondContact O-N 3.42Å
200T98.9Very high97.3Very high0 Ų036.7 Ų36.70%019%0.193CC..EExtended strand (participates in β ladder)trans-80.5149.8-178.163.90000111.9L165 T166 H167 T202 G208 V226 D228 V231 I265L165-T200 HydrophobicContact CD1-CG2 4.47Å; T166-T200 PolarHBondContact O-N 2.95Å; H167-T200 PolarHBondContact ND1-OG1 3.37Å; T200-T202 PolarHBondContact O-N 3.16Å; T200-T202 PolarHBondContact O-OG1 2.89Å; T200-T202 PolarHBondContact OG1-OG1 2.92Å; T200-G208 WeakPolarHBondContact O-CA 3.4Å; T200-V226 CarbonylContact C-O 3.56Å; T200-V226 VanDerWaalsContact CA-O 3.25Å; T200-V226 WeakPolarHBondContact CA-O 3.43Å; T200-V226 HydrophobicContact CG2-CG2 4.09Å; T200-D228 VanDerWaalsContact CB-OD1 3.26Å; T200-D228 WeakPolarHBondContact CB-OD1 3.32Å; T200-V231 HydrophobicContact CG2-CG2 3.56Å; T200-I265 HydrophobicContact CG2-CD1 4.2Å
201E98.3Very high97.4Very high46 Ų4628.5 Ų28.522%0.21516%0.155CC..  trans-59.2-29.817566.3176.4156.800113.1R203 N206 Q207 G208 A209 M225 V226E201-R203 HydrophobicContact CG-CG 4.23Å; E201-N206 CarbonylContact O-C 3.58Å; E201-N206 WeakPolarHBondContact O-CA 3.48Å; E201-N206 PolarHBondContact OE2-ND2 2.73Å; E201-Q207 PolarHBondContact O-N 2.89Å; E201-G208 PolarHBondContact O-N 3.12Å; E201-A209 HydrophobicContact CB-CB 4.26Å; E201-A209 PolarHBondContact O-N 3.28Å; E201-A209 VanDerWaalsContact O-N 3.11Å; E201-M225 HydrophobicContact CB-CG 4.39Å; E201-M225 HydrophobicContact CB-SD 4.22Å; E201-V226 PolarHBondContact N-O 2.77Å
202T98Very high97.5Very high0 Ų024.7 Ų24.70%014%0.135CC..  trans6665.6175.9-41.10000113.5C168 T200 N206 Q207 G208 D228 K259C168-T202 VanDerWaalsContact CA-OG1 3.31Å; C168-T202 WeakPolarHBondContact CA-OG1 3.47Å; C168-T202 HydrophobicContact CB-CG2 3.96Å; C168-T202 PolarHBondContact N-OG1 3.46Å; C168-T202 VanDerWaalsContact N-OG1 3.1Å; T200-T202 PolarHBondContact O-N 3.16Å; T200-T202 PolarHBondContact O-OG1 2.89Å; T200-T202 PolarHBondContact OG1-OG1 2.92Å; T202-N206 WeakPolarHBondContact O-CA 3.37Å; T202-N206 PolarHBondContact O-N 2.83Å; T202-Q207 HydrophobicContact CG2-CB 4.24Å; T202-Q207 PolarHBondContact O-N 3.26Å; T202-G208 PolarHBondContact OG1-N 2.87Å; T202-D228 WeakPolarHBondContact CA-OD1 3.42Å; T202-D228 PolarHBondContact N-OD1 2.87Å; T202-K259 HydrophobicContact CG2-CD 4.03Å; T202-K259 HydrophobicContact CG2-CG 3.39Å
203R96.6Very high97.6Very high57 Ų5723.5 Ų23.522%0.21512%0.118CC..THydrogen-bonded Turntrans-61.9155.3169.8-70.8-70.3-67.9152.30.4110.7E201 N206 D228 M305E201-R203 HydrophobicContact CG-CG 4.23Å; R203-N206 WeakPolarHBondContact CD-ND2 3.44Å; R203-N206 VanDerWaalsContact CD-OD1 3.29Å; R203-N206 WeakPolarHBondContact CD-OD1 3.09Å; R203-N206 PolarHBondContact NH1-OD1 3.47Å; R203-D228 VanDerWaalsContact CB-OD2 3.3Å; R203-D228 WeakPolarHBondContact CB-OD2 3.32Å; R203-D228 PolarHBondContact N-OD2 3Å; R203-M305 PolarHBondContact NH2-O 2.95Å
204P94.5Very high97.6Very high16 Ų1624.2 Ų24.210%0.10412%0.117CC..THydrogen-bonded Turncis-86.6-13.80.534-37.4000115N206 E304 M305P204-N206 VanDerWaalsContact C-N 3.31Å; P204-N206 PolarHBondContact O-N 2.81Å; P204-N206 PolarHBondContact O-OD1 3.29Å; P204-E304 HydrophobicContact CB-CG 4.12Å; P204-E304 WeakPolarHBondContact CB-O 3.44Å; P204-E304 HydrophobicContact CG-CB 4.38Å; P204-E304 HydrophobicContact CG-CG 3.78Å; P204-E304 VanDerWaalsContact CG-OE1 3.29Å; P204-E304 WeakPolarHBondContact CG-OE1 3.39Å; P204-M305 HydrophobicContact CB-CG 3.98Å; P204-M305 HydrophobicContact CG-CG 4.31Å
205V94.1Very high97.6Very high14 Ų1423.6 Ų23.69%0.08511%0.114CC..THydrogen-bonded Turntrans-81.3-14.8-176.6-178.10000113M43 Q207 E304M43-V205 HydrophobicContact CE-CG1 4.15Å; M43-V205 HydrophobicContact CE-CG2 4.02Å; V205-Q207 HydrophobicContact CB-CG 4.09Å; V205-Q207 HydrophobicContact CG1-CG 3.91Å; V205-E304 HydrophobicContact CG2-CG 3.67Å; V205-E304 WeakPolarHBondContact CG2-OE2 3.39Å
206N96.2Very high97.7Very high21 Ų2118.7 Ų18.711%0.1129%0.091CC..THydrogen-bonded Turntrans60.544.4-174.7-67.394.3000112E201 T202 R203 P204 G208 A209 R210E201-N206 CarbonylContact O-C 3.58Å; E201-N206 WeakPolarHBondContact O-CA 3.48Å; E201-N206 PolarHBondContact OE2-ND2 2.73Å; T202-N206 WeakPolarHBondContact O-CA 3.37Å; T202-N206 PolarHBondContact O-N 2.83Å; R203-N206 WeakPolarHBondContact CD-ND2 3.44Å; R203-N206 VanDerWaalsContact CD-OD1 3.29Å; R203-N206 WeakPolarHBondContact CD-OD1 3.09Å; R203-N206 PolarHBondContact NH1-OD1 3.47Å; P204-N206 VanDerWaalsContact C-N 3.31Å; P204-N206 PolarHBondContact O-N 2.81Å; P204-N206 PolarHBondContact O-OD1 3.29Å; N206-G208 PolarHBondContact O-N 3.23Å; N206-A209 HydrophobicContact CB-CB 4.14Å; N206-A209 PolarHBondContact O-N 2.85Å; N206-R210 WeakPolarHBondContact O-CB 3.38Å; N206-R210 VanDerWaalsContact O-CG 3.26Å; N206-R210 WeakPolarHBondContact O-CG 3.47Å; N206-R210 PolarHBondContact O-N 3.39Å
207Q97Very high97.6Very high12 Ų1222.3 Ų22.36%0.05611%0.111CC..Hα-helixtrans-63.5-39.7-177.4-74176.3-91.800112.6R46 N169 E201 T202 V205 R210 L211 T212R46-Q207 VanDerWaalsContact CD-NE2 3.31Å; N169-Q207 HydrophobicContact CB-CB 4.38Å; E201-Q207 PolarHBondContact O-N 2.89Å; T202-Q207 HydrophobicContact CG2-CB 4.24Å; T202-Q207 PolarHBondContact O-N 3.26Å; V205-Q207 HydrophobicContact CB-CG 4.09Å; V205-Q207 HydrophobicContact CG1-CG 3.91Å; Q207-R210 PolarHBondContact O-N 3Å; Q207-L211 WeakPolarHBondContact O-CA 3.45Å; Q207-L211 VanDerWaalsContact O-CB 3.3Å; Q207-L211 WeakPolarHBondContact O-CB 3.48Å; Q207-L211 PolarHBondContact O-N 2.92Å; Q207-T212 PolarHBondContact O-N 3.39Å
208G98.4Very high97.6Very high0 Ų025.3 Ų25.30%013%0.127CC..Iπ-helixtrans-66.9-43.6177.100000111.4F199 T200 E201 T202 N206 R210 T212 S213F199-G208 VanDerWaalsContact CE2-O 3.28Å; F199-G208 WeakPolarHBondContact CE2-O 3.38Å; T200-G208 WeakPolarHBondContact O-CA 3.4Å; E201-G208 PolarHBondContact O-N 3.12Å; T202-G208 PolarHBondContact OG1-N 2.87Å; N206-G208 PolarHBondContact O-N 3.23Å; G208-R210 VanDerWaalsContact C-N 3.32Å; G208-R210 PolarHBondContact O-N 3.33Å; G208-T212 WeakPolarHBondContact O-CB 3.4Å; G208-T212 PolarHBondContact O-N 3.43Å; G208-S213 PolarHBondContact O-N 3.1Å
209A97.6Very high97.5Very high25 Ų2525.2 Ų25.221%0.20713%0.129CC..Iπ-helixtrans-63.5-36.1177.100000113.4E201 N206 S213 M225E201-A209 HydrophobicContact CB-CB 4.26Å; E201-A209 PolarHBondContact O-N 3.28Å; E201-A209 VanDerWaalsContact O-N 3.11Å; N206-A209 HydrophobicContact CB-CB 4.14Å; N206-A209 PolarHBondContact O-N 2.85Å; A209-S213 WeakPolarHBondContact O-CB 3.47Å; A209-M225 WeakPolarHBondContact CA-SD 3.36Å; A209-M225 HydrophobicContact CB-CE 4.4Å; A209-M225 HydrophobicContact CB-SD 3.39Å; A209-M225 WeakPolarHBondContact CB-SD 3.46Å
210R97.2Very high97.4Very high51 Ų5133.6 Ų33.619%0.19217%0.165CC..Iπ-helixtrans-92.6-38.6-173.2-68.3171.858.4-158.2-3.4114.3Q18 L19 L21 N206 Q207 G208 F214Q18-R210 PolarHBondContact O-NH2 3.24Å; L19-R210 PolarHBondContact O-NH2 3.45Å; L21-R210 PolarHBondContact O-NE 3.09Å; N206-R210 WeakPolarHBondContact O-CB 3.38Å; N206-R210 VanDerWaalsContact O-CG 3.26Å; N206-R210 WeakPolarHBondContact O-CG 3.47Å; N206-R210 PolarHBondContact O-N 3.39Å; Q207-R210 PolarHBondContact O-N 3Å; G208-R210 VanDerWaalsContact C-N 3.32Å; G208-R210 PolarHBondContact O-N 3.33Å; R210-F214 WeakPolarHBondContact O-CB 3.39Å
211L97.9Very high97.4Very high0 Ų033.9 Ų33.90%017%0.167CC..Iπ-helixtrans-109.6-53.2-169.9-52.7179.3000110.7Q18 L21 N169 L173 Q207 S213 F214 E215Q18-L211 HydrophobicContact CB-CD2 4.14Å; L21-L211 HydrophobicContact CB-CD2 3.87Å; L21-L211 HydrophobicContact CD1-CD2 3.68Å; L21-L211 HydrophobicContact CG-CD2 4.42Å; N169-L211 HydrophobicContact CB-CB 3.94Å; N169-L211 HydrophobicContact CB-CD1 4.24Å; N169-L211 WeakPolarHBondContact ND2-CB 3.46Å; L173-L211 HydrophobicContact CD1-CB 4.3Å; L173-L211 HydrophobicContact CD1-CD2 4.26Å; Q207-L211 WeakPolarHBondContact O-CA 3.45Å; Q207-L211 VanDerWaalsContact O-CB 3.3Å; Q207-L211 WeakPolarHBondContact O-CB 3.48Å; Q207-L211 PolarHBondContact O-N 2.92Å; L211-S213 PolarHBondContact O-N 3.06Å; L211-F214 WeakPolarHBondContact O-CB 3.45Å; L211-F214 PolarHBondContact O-N 3.48Å; L211-E215 WeakPolarHBondContact O-CG 3.48Å; L211-E215 PolarHBondContact O-N 3.24Å
212T98.5Very high97.4Very high1 Ų134.4 Ų34.41%0.00617%0.174CC..Iπ-helixtrans-64.2-43.4-179.7-54.80000111.5T166 C168 N169 L182 F199 Q207 G208 F214 E215 L216T166-T212 HydrophobicContact CG2-CG2 4.46Å; C168-T212 PolarHBondContact O-OG1 2.55Å; N169-T212 VanDerWaalsContact CA-OG1 3.25Å; N169-T212 WeakPolarHBondContact CA-OG1 3.46Å; N169-T212 WeakPolarHBondContact CB-OG1 3.29Å; N169-T212 PolarHBondContact ND2-N 3.04Å; N169-T212 PolarHBondContact ND2-OG1 3.21Å; L182-T212 HydrophobicContact CD1-CG2 4.1Å; L182-T212 HydrophobicContact CD2-CG2 4.32Å; F199-T212 HydrophobicContact CB-CG2 4.07Å; F199-T212 HydrophobicContact CD2-CG2 4.03Å; F199-T212 HydrophobicContact CG-CG2 4.01Å; Q207-T212 PolarHBondContact O-N 3.39Å; G208-T212 WeakPolarHBondContact O-CB 3.4Å; G208-T212 PolarHBondContact O-N 3.43Å; T212-F214 VanDerWaalsContact C-N 3.34Å; T212-F214 PolarHBondContact O-N 3.3Å; T212-E215 PolarHBondContact O-N 2.9Å; T212-L216 HydrophobicContact CG2-CD1 3.76Å; T212-L216 HydrophobicContact CG2-CG 4.27Å; T212-L216 WeakPolarHBondContact O-CB 3.34Å; T212-L216 VanDerWaalsContact O-CG 3.28Å; T212-L216 WeakPolarHBondContact O-CG 3.36Å; T212-L216 PolarHBondContact O-N 2.9Å
213S98.2Very high97.5Very high28 Ų2835.8 Ų35.820%0.19618%0.184CC..Hα-helixtrans-57.9-45.7172.5-171.90000112.1G208 A209 L211 E215 L216 L217G208-S213 PolarHBondContact O-N 3.1Å; A209-S213 WeakPolarHBondContact O-CB 3.47Å; L211-S213 PolarHBondContact O-N 3.06Å; S213-E215 PolarHBondContact O-N 2.88Å; S213-L216 PolarHBondContact O-N 3.34Å; S213-L217 WeakPolarHBondContact O-CB 3.29Å; S213-L217 VanDerWaalsContact O-CG 3.25Å; S213-L217 WeakPolarHBondContact O-CG 3.42Å; S213-L217 PolarHBondContact O-N 2.84Å
214F98Very high97.6Very high45 Ų4535.8 Ų35.820%0.19719%0.19CC..Hα-helixtrans-61.2-44.7179.5-179.2-107.5000111.9L3 L21 P22 L173 R210 L211 T212 N218L3-F214 HydrophobicContact CD1-CD1 3.53Å; L3-F214 HydrophobicContact CD1-CE1 3.3Å; L3-F214 HydrophobicContact CD1-CZ 4.24Å; L3-F214 HydrophobicContact CD2-CE1 4.07Å; L3-F214 HydrophobicContact CD2-CZ 4.46Å; L3-F214 HydrophobicContact CG-CE1 4.3Å; L21-F214 HydrophobicContact CD1-CD1 4.11Å; L21-F214 HydrophobicContact CD1-CE1 4.25Å; L21-F214 HydrophobicContact CD2-CD1 4.1Å; L21-F214 HydrophobicContact CD2-CE1 3.7Å; L21-F214 HydrophobicContact CD2-CE2 4.31Å; L21-F214 HydrophobicContact CD2-CZ 3.84Å; P22-F214 HydrophobicContact CB-CB 4.19Å; P22-F214 HydrophobicContact CB-CD2 3.88Å; P22-F214 HydrophobicContact CB-CG 4.34Å; L173-F214 HydrophobicContact CD1-CD1 4.27Å; R210-F214 WeakPolarHBondContact O-CB 3.39Å; L211-F214 WeakPolarHBondContact O-CB 3.45Å; L211-F214 PolarHBondContact O-N 3.48Å; T212-F214 VanDerWaalsContact C-N 3.34Å; T212-F214 PolarHBondContact O-N 3.3Å; F214-N218 WeakPolarHBondContact O-CB 3.44Å; F214-N218 PolarHBondContact O-N 3.24Å
215E98.4Very high97.8Very high0 Ų039.7 Ų39.70%021%0.208CC..Hα-helixtrans-66.1-48.7177-75.1-171.47300113L3 N169 G171 S172 L173 L182 R186 L211 T212 S213 L217 N218 D219L3-E215 HydrophobicContact CD1-CG 4.1Å; N169-E215 PolarHBondContact ND2-OE2 3.34Å; G171-E215 WeakPolarHBondContact CA-OE1 3.41Å; S172-E215 PolarHBondContact N-OE1 2.91Å; S172-E215 PolarHBondContact OG-OE1 3.11Å; L173-E215 WeakPolarHBondContact CB-OE2 3.29Å; L173-E215 HydrophobicContact CD1-CG 3.79Å; L173-E215 HydrophobicContact CG-CG 3.82Å; L173-E215 WeakPolarHBondContact CG-OE2 3.39Å; L182-E215 HydrophobicContact CD2-CB 3.86Å; L182-E215 HydrophobicContact CD2-CG 4.46Å; R186-E215 IonicContact CZ-OE1 3.14Å; R186-E215 IonicContact NH1-OE1 2.69Å; R186-E215 PolarHBondContact NH1-OE1 2.72Å; R186-E215 VanDerWaalsContact NH1-OE1 3.07Å; R186-E215 IonicContact NH2-OE1 3.92Å; R186-E215 PolarHBondContact NH2-OE1 3.35Å; L211-E215 WeakPolarHBondContact O-CG 3.48Å; L211-E215 PolarHBondContact O-N 3.24Å; T212-E215 PolarHBondContact O-N 2.9Å; S213-E215 PolarHBondContact O-N 2.88Å; E215-L217 VanDerWaalsContact C-N 3.33Å; E215-L217 PolarHBondContact O-N 2.66Å; E215-N218 WeakPolarHBondContact O-CB 3.3Å; E215-N218 PolarHBondContact O-N 3.07Å; E215-D219 PolarHBondContact O-N 3.4Å
216L98.5Very high98Very high1 Ų139.9 Ų39.91%0.00521%0.209CC..Hα-helixtrans-61.5-41-179.2-73.4171.6000111.9L182 I185 V197 F199 T212 S213 D219 K220 I221 C223L182-L216 HydrophobicContact CD1-CD1 4.47Å; L182-L216 HydrophobicContact CD1-CD2 3.67Å; L182-L216 HydrophobicContact CD1-CG 4.05Å; I185-L216 HydrophobicContact CG2-CD2 4.24Å; V197-L216 HydrophobicContact CG1-CD1 3.94Å; V197-L216 HydrophobicContact CG1-CD2 3.79Å; F199-L216 HydrophobicContact CD1-CD1 3.47Å; F199-L216 VanDerWaalsContact CD1-CD1 3.47Å; F199-L216 HydrophobicContact CE1-CD1 3.73Å; F199-L216 HydrophobicContact CG-CD1 4.08Å; T212-L216 HydrophobicContact CG2-CD1 3.76Å; T212-L216 HydrophobicContact CG2-CG 4.27Å; T212-L216 WeakPolarHBondContact O-CB 3.34Å; T212-L216 VanDerWaalsContact O-CG 3.28Å; T212-L216 WeakPolarHBondContact O-CG 3.36Å; T212-L216 PolarHBondContact O-N 2.9Å; S213-L216 PolarHBondContact O-N 3.34Å; L216-D219 PolarHBondContact O-N 3.01Å; L216-K220 PolarHBondContact O-N 3.33Å; L216-I221 HydrophobicContact CD2-CB 3.85Å; L216-I221 HydrophobicContact CD2-CD1 3.94Å; L216-I221 HydrophobicContact CD2-CG1 4.45Å; L216-I221 HydrophobicContact CD2-CG2 3.83Å; L216-I221 PolarHBondContact O-N 2.61Å; L216-C223 HydrophobicContact CB-CB 4.25Å; L216-C223 HydrophobicContact CD1-CB 3.77Å; L216-C223 HydrophobicContact CG-CB 4.5Å
217L97.8Very high98.1Very high115 Ų11541.9 Ų41.960%0.60223%0.225SC*.Hα-helixtrans-69.6-39.2176.9-68178.9000112.3S213 E215 D219 K220S213-L217 WeakPolarHBondContact O-CB 3.29Å; S213-L217 VanDerWaalsContact O-CG 3.25Å; S213-L217 WeakPolarHBondContact O-CG 3.42Å; S213-L217 PolarHBondContact O-N 2.84Å; E215-L217 VanDerWaalsContact C-N 3.33Å; E215-L217 PolarHBondContact O-N 2.66Å; L217-D219 PolarHBondContact O-N 2.97Å; L217-K220 PolarHBondContact O-N 3.27Å; L217-K220 VanDerWaalsContact O-N 3.16Å
218N97Very high98.2Very high63 Ų6343.5 Ų43.534%0.33723%0.233SC..Hα-helixtrans-58.2-40.7173.6175.683.1000111.6M1 L3 F214 E215 K220M1-N218 PolarHBondContact O-ND2 3.08Å; L3-N218 HydrophobicContact CD1-CB 4Å; L3-N218 HydrophobicContact CG-CB 4.47Å; F214-N218 WeakPolarHBondContact O-CB 3.44Å; F214-N218 PolarHBondContact O-N 3.24Å; E215-N218 WeakPolarHBondContact O-CB 3.3Å; E215-N218 PolarHBondContact O-N 3.07Å; N218-K220 VanDerWaalsContact C-N 3.28Å; N218-K220 PolarHBondContact O-N 2.93Å
219D97.3Very high98.1Very high32 Ų3249.1 Ų49.117%0.17127%0.273CS..THydrogen-bonded Turntrans-85.7-0.6-178.6-62.5-22.1000113.4R186 E215 L216 L217 I221R186-D219 IonicContact CZ-OD2 3.92Å; R186-D219 IonicContact NE-OD2 3.4Å; R186-D219 PolarHBondContact NE-OD2 2.93Å; R186-D219 IonicContact NH2-OD2 2.96Å; R186-D219 PolarHBondContact NH2-OD2 3.34Å; E215-D219 PolarHBondContact O-N 3.4Å; L216-D219 PolarHBondContact O-N 3.01Å; L217-D219 PolarHBondContact O-N 2.97Å; D219-I221 HydrophobicContact CB-CD1 3.9Å; D219-I221 HydrophobicContact CB-CG1 3.93Å; D219-I221 PolarHBondContact O-N 2.71Å
220K98Very high98.2Very high178 Ų17849.7 Ų49.777%0.77428%0.277SS*.THydrogen-bonded Turntrans57.333.7-178.9-52.3178.5-177.5177.80113.2L216 L217 N218L216-K220 PolarHBondContact O-N 3.33Å; L217-K220 PolarHBondContact O-N 3.27Å; L217-K220 VanDerWaalsContact O-N 3.16Å; N218-K220 VanDerWaalsContact C-N 3.28Å; N218-K220 PolarHBondContact O-N 2.93Å
221I98.5Very high98.2Very high6 Ų647.5 Ų47.53%0.03127%0.27CS..  trans-81.8127.9178.5-63.7175.7000108.8I185 R186 H189 L194 V197 L216 D219 C223I185-I221 HydrophobicContact CG2-CD1 4.47Å; I185-I221 HydrophobicContact CG2-CG2 4.33Å; R186-I221 HydrophobicContact CG-CD1 3.96Å; H189-I221 HydrophobicContact CB-CD1 4.25Å; H189-I221 HydrophobicContact CB-CG1 4.1Å; L194-I221 HydrophobicContact CD2-CG2 3.51Å; V197-I221 HydrophobicContact CG1-CG2 3.82Å; L216-I221 HydrophobicContact CD2-CB 3.85Å; L216-I221 HydrophobicContact CD2-CD1 3.94Å; L216-I221 HydrophobicContact CD2-CG1 4.45Å; L216-I221 HydrophobicContact CD2-CG2 3.83Å; L216-I221 PolarHBondContact O-N 2.61Å; D219-I221 HydrophobicContact CB-CD1 3.9Å; D219-I221 HydrophobicContact CB-CG1 3.93Å; D219-I221 PolarHBondContact O-N 2.71Å; I221-C223 PolarHBondContact O-N 3.24Å; I221-C223 VanDerWaalsContact O-N 3.14Å
222P98.6Very high98.3Very high57 Ų5749.7 Ų49.737%0.3729%0.288SS..  trans-59117.3175.9-23.533.7000111.2V197V197-P222 WeakPolarHBondContact CG1-O 3.3Å; V197-P222 PolarHBondContact N-O 3.37Å
223C98.8Very high98.3Very high29 Ų2956.7 Ų56.720%0.19631%0.314CS..EExtended strand (participates in β ladder)trans-144.4158.2-172.670.60000114.5H196 V197 F199 L216 I221H196-C223 VanDerWaalsContact CE1-C 3.48Å; H196-C223 PolarHBondContact CE1-N 3.34Å; H196-C223 VanDerWaalsContact NE2-C 3.3Å; V197-C223 HydrophobicContact CG1-CB 3.67Å; V197-C223 CarbonylContact O-C 3.6Å; V197-C223 WeakPolarHBondContact O-CA 3.48Å; F199-C223 HydrophobicContact CD1-CB 4.18Å; F199-C223 HydrophobicContact CE1-CB 3.89Å; L216-C223 HydrophobicContact CB-CB 4.25Å; L216-C223 HydrophobicContact CD1-CB 3.77Å; L216-C223 HydrophobicContact CG-CB 4.5Å; I221-C223 PolarHBondContact O-N 3.24Å; I221-C223 VanDerWaalsContact O-N 3.14Å
224T98.7Very high98.3Very high58 Ų5856.2 Ų56.236%0.35631%0.309SS..EExtended strand (participates in β ladder)trans-141.4126.5171.8-63.10000111H196 V197 Y198 F199H196-T224 PolarHBondContact CE1-OG1 2.93Å; H196-T224 WeakPolarHBondContact NE2-CB 3.49Å; H196-T224 PolarHBondContact NE2-N 2.95Å; H196-T224 PolarHBondContact NE2-OG1 2.85Å; V197-T224 PolarHBondContact O-N 2.84Å; Y198-T224 WeakPolarHBondContact CA-O 3.47Å; Y198-T224 HydrophobicContact CD1-CG2 4Å; Y198-T224 HydrophobicContact CE1-CG2 3.82Å; F199-T224 PolarHBondContact N-O 3.04Å; F199-T224 VanDerWaalsContact N-O 3.09Å
225M98.7Very high98.3Very high97 Ų9754.7 Ų54.748%0.47830%0.303SS..EExtended strand (participates in β ladder)trans-76.2138.1174-170.9170.364.500110.7F199 E201 A209F199-M225 HydrophobicContact CD2-CB 4.46Å; F199-M225 HydrophobicContact CD2-CG 4.26Å; F199-M225 HydrophobicContact CE1-CB 4.14Å; F199-M225 HydrophobicContact CE2-CB 3.73Å; F199-M225 HydrophobicContact CE2-CG 3.67Å; F199-M225 HydrophobicContact CE2-SD 4.06Å; F199-M225 HydrophobicContact CZ-CB 3.56Å; F199-M225 HydrophobicContact CZ-CG 4.05Å; F199-M225 CarbonylContact O-C 3.6Å; F199-M225 VanDerWaalsContact O-CA 3.32Å; F199-M225 WeakPolarHBondContact O-CA 3.45Å; E201-M225 HydrophobicContact CB-CG 4.39Å; E201-M225 HydrophobicContact CB-SD 4.22Å; A209-M225 WeakPolarHBondContact CA-SD 3.36Å; A209-M225 HydrophobicContact CB-CE 4.4Å; A209-M225 HydrophobicContact CB-SD 3.39Å; A209-M225 WeakPolarHBondContact CB-SD 3.46Å
226V98.5Very high98.3Very high18 Ų1862.8 Ų62.811%0.10933%0.334CS..EExtended strand (participates in β ladder)trans-126.8147.5175.7-62.70000111.2L165 Y198 F199 T200 E201 V231 L234L165-V226 HydrophobicContact CD1-CG2 4.41Å; Y198-V226 HydrophobicContact CD1-CG1 3.85Å; F199-V226 WeakPolarHBondContact O-CG2 3.45Å; F199-V226 PolarHBondContact O-N 3.42Å; T200-V226 CarbonylContact C-O 3.56Å; T200-V226 VanDerWaalsContact CA-O 3.25Å; T200-V226 WeakPolarHBondContact CA-O 3.43Å; T200-V226 HydrophobicContact CG2-CG2 4.09Å; E201-V226 PolarHBondContact N-O 2.77Å; V226-V231 HydrophobicContact CG2-CG2 4.41Å; V226-L234 HydrophobicContact CG1-CD1 4.46Å; V226-L234 HydrophobicContact CG1-CD2 4.18Å; V226-L234 HydrophobicContact CG2-CD2 4.37Å
227C98.5Very high98.3Very high64 Ų6468.5 Ų68.543%0.43236%0.358SS..  trans-65.6147.7170.6-56.30000109.9S229 A230C227-S229 PolarHBondContact O-N 3.27Å; C227-A230 HydrophobicContact CB-CB 4.22Å; C227-A230 WeakPolarHBondContact O-CB 3.5Å; C227-A230 PolarHBondContact O-N 3.06Å
228D98.5Very high98.2Very high45 Ų4567.8 Ų67.824%0.24135%0.352CS..G310 helixtrans-57.3-38.4-178.9-59.2-23.5000111.3T200 T202 R203 A230 V231T200-D228 VanDerWaalsContact CB-OD1 3.26Å; T200-D228 WeakPolarHBondContact CB-OD1 3.32Å; T202-D228 WeakPolarHBondContact CA-OD1 3.42Å; T202-D228 PolarHBondContact N-OD1 2.87Å; R203-D228 VanDerWaalsContact CB-OD2 3.3Å; R203-D228 WeakPolarHBondContact CB-OD2 3.32Å; R203-D228 PolarHBondContact N-OD2 3Å; D228-A230 VanDerWaalsContact C-N 3.28Å; D228-A230 PolarHBondContact O-N 3.48Å; D228-V231 WeakPolarHBondContact O-CG2 3.46Å
229S97.7Very high98.1Very high118 Ų11869.8 Ų69.883%0.82536%0.355SS*.G310 helixtrans-74.3-11177.9580000114.8C227C227-S229 PolarHBondContact O-N 3.27Å
230A98.5Very high98.1Very high37 Ų3769 Ų6931%0.30635%0.35SS..G310 helixtrans-89.8-8.7-179.300000113.1C227 D228 A232 W233 L234C227-A230 HydrophobicContact CB-CB 4.22Å; C227-A230 WeakPolarHBondContact O-CB 3.5Å; C227-A230 PolarHBondContact O-N 3.06Å; D228-A230 VanDerWaalsContact C-N 3.28Å; D228-A230 PolarHBondContact O-N 3.48Å; A230-A232 PolarHBondContact O-N 3.26Å; A230-W233 PolarHBondContact O-N 3.37Å; A230-W233 VanDerWaalsContact O-N 3.1Å; A230-L234 PolarHBondContact O-N 3.02Å
231V98.7Very high98.1Very high5 Ų561.3 Ų61.33%0.0332%0.318CS..Hα-helixtrans-58.8-44-171.8173.70000112.9L165 T200 V226 D228 W233 L234 M235 I265 T268L165-V231 HydrophobicContact CD2-CG1 3.64Å; T200-V231 HydrophobicContact CG2-CG2 3.56Å; V226-V231 HydrophobicContact CG2-CG2 4.41Å; D228-V231 WeakPolarHBondContact O-CG2 3.46Å; V231-W233 VanDerWaalsContact C-N 3.31Å; V231-W233 PolarHBondContact O-N 2.96Å; V231-L234 WeakPolarHBondContact O-CB 3.44Å; V231-L234 PolarHBondContact O-N 3.43Å; V231-M235 HydrophobicContact CG1-CE 3.85Å; V231-M235 PolarHBondContact O-N 2.98Å; V231-I265 HydrophobicContact CG1-CG1 4.17Å; V231-I265 HydrophobicContact CG1-CG2 4.31Å; V231-I265 HydrophobicContact CG2-CG1 4.4Å; V231-T268 HydrophobicContact CG1-CG2 4.46Å
232A98.6Very high98.1Very high46 Ų4661 Ų6138%0.3832%0.316SS..Hα-helixtrans-64-3817800000112.6A230 R236 T268A230-A232 PolarHBondContact O-N 3.26Å; A232-R236 WeakPolarHBondContact O-CB 3.34Å; A232-R236 PolarHBondContact O-N 3.49Å; A232-R236 VanDerWaalsContact O-N 3.16Å; A232-T268 HydrophobicContact CB-CG2 3.62Å
233W98.5Very high98.1Very high149 Ų14958.3 Ų58.356%0.56430%0.299SS*.Hα-helixtrans-69.7-38.7175.1-171.3-116.2000112.1A230 V231 R236 K237A230-W233 PolarHBondContact O-N 3.37Å; A230-W233 VanDerWaalsContact O-N 3.1Å; V231-W233 VanDerWaalsContact C-N 3.31Å; V231-W233 PolarHBondContact O-N 2.96Å; W233-R236 PolarHBondContact O-N 3.44Å; W233-K237 HydrophobicContact CD2-CG 3.96Å; W233-K237 HydrophobicContact CE3-CG 4.48Å; W233-K237 HydrophobicContact CG-CG 4.41Å; W233-K237 HydrophobicContact CH2-CD 4.4Å; W233-K237 HydrophobicContact CH2-CG 4.44Å; W233-K237 HydrophobicContact CZ2-CD 4.09Å; W233-K237 HydrophobicContact CZ2-CG 3.89Å; W233-K237 WeakPolarHBondContact O-CB 3.49Å; W233-K237 WeakPolarHBondContact O-CG 3.47Å; W233-K237 PolarHBondContact O-N 2.79Å
234L98.7Very high98.1Very high17 Ų1756.9 Ų56.99%0.08929%0.289CS..Hα-helixtrans-56.9-54173.317674.6000110.6L165 Y198 V226 A230 V231 R236 K237 Q238 I240L165-L234 HydrophobicContact CD1-CD2 4.04Å; Y198-L234 HydrophobicContact CD1-CD1 3.79Å; Y198-L234 HydrophobicContact CD1-CD2 4.04Å; Y198-L234 HydrophobicContact CD2-CD1 4.28Å; Y198-L234 HydrophobicContact CD2-CD2 4.24Å; Y198-L234 HydrophobicContact CE1-CD1 3.68Å; Y198-L234 HydrophobicContact CE2-CD1 4.17Å; Y198-L234 HydrophobicContact CG-CD1 4.09Å; Y198-L234 HydrophobicContact CG-CD2 3.75Å; V226-L234 HydrophobicContact CG1-CD1 4.46Å; V226-L234 HydrophobicContact CG1-CD2 4.18Å; V226-L234 HydrophobicContact CG2-CD2 4.37Å; A230-L234 PolarHBondContact O-N 3.02Å; V231-L234 WeakPolarHBondContact O-CB 3.44Å; V231-L234 PolarHBondContact O-N 3.43Å; L234-R236 PolarHBondContact O-N 3.31Å; L234-K237 PolarHBondContact O-N 3.5Å; L234-Q238 HydrophobicContact CD1-CB 3.88Å; L234-Q238 HydrophobicContact CD1-CG 3.58Å; L234-Q238 HydrophobicContact CG-CB 4.5Å; L234-Q238 WeakPolarHBondContact O-CB 3.5Å; L234-Q238 PolarHBondContact O-N 3.13Å; L234-I240 HydrophobicContact CD2-CD1 4.07Å; L234-I240 HydrophobicContact CG-CD1 4.14Å; L234-I240 HydrophobicContact CG-CG1 4.45Å
235M98.3Very high98.1Very high14 Ų1454.1 Ų54.17%0.06927%0.272CS..Hα-helixtrans-62.4-26.5-179.7-70.5-171.6-173.400113.1L165 V231 I240 V243 I265 T268 A269 H272 V274L165-M235 HydrophobicContact CD2-CE 3.43Å; L165-M235 VanDerWaalsContact CD2-CE 3.43Å; V231-M235 HydrophobicContact CG1-CE 3.85Å; V231-M235 PolarHBondContact O-N 2.98Å; M235-I240 HydrophobicContact CG-CG1 4.17Å; M235-V243 HydrophobicContact CE-CG2 3.41Å; M235-V243 VanDerWaalsContact CE-CG2 3.41Å; M235-I265 HydrophobicContact CE-CG2 4.06Å; M235-T268 HydrophobicContact CE-CG2 4.48Å; M235-T268 HydrophobicContact CG-CG2 4.42Å; M235-T268 HydrophobicContact SD-CG2 3.61Å; M235-A269 HydrophobicContact CE-CB 4.08Å; M235-A269 HydrophobicContact SD-CB 4.31Å; M235-H272 HydrophobicContact CB-CB 4.25Å; M235-V274 HydrophobicContact SD-CG2 4.4Å
236R98Very high98.1Very high170 Ų17049.5 Ų49.564%0.64225%0.25SC*.Hα-helixtrans-77.3-30.2174.1-176.2173.5-179-178.21.8113.5A232 W233 L234A232-R236 WeakPolarHBondContact O-CB 3.34Å; A232-R236 PolarHBondContact O-N 3.49Å; A232-R236 VanDerWaalsContact O-N 3.16Å; W233-R236 PolarHBondContact O-N 3.44Å; L234-R236 PolarHBondContact O-N 3.31Å
237K98Very high98.1Very high121 Ų12149.3 Ų49.353%0.52625%0.249SC..Hα-helixtrans-106.8-26.8-170.1-70.9-57.8-171.4178.70114.5W233 L234W233-K237 HydrophobicContact CD2-CG 3.96Å; W233-K237 HydrophobicContact CE3-CG 4.48Å; W233-K237 HydrophobicContact CG-CG 4.41Å; W233-K237 HydrophobicContact CH2-CD 4.4Å; W233-K237 HydrophobicContact CH2-CG 4.44Å; W233-K237 HydrophobicContact CZ2-CD 4.09Å; W233-K237 HydrophobicContact CZ2-CG 3.89Å; W233-K237 WeakPolarHBondContact O-CB 3.49Å; W233-K237 WeakPolarHBondContact O-CG 3.47Å; W233-K237 PolarHBondContact O-N 2.79Å; L234-K237 PolarHBondContact O-N 3.5Å
238Q96Very high98Very high100 Ų10047.1 Ų47.147%0.46723%0.234SC..SBendtrans-115.1150.2179.3-58.3-58.4-20.600109.3L234 I240L234-Q238 HydrophobicContact CD1-CB 3.88Å; L234-Q238 HydrophobicContact CD1-CG 3.58Å; L234-Q238 HydrophobicContact CG-CB 4.5Å; L234-Q238 WeakPolarHBondContact O-CB 3.5Å; L234-Q238 PolarHBondContact O-N 3.13Å; Q238-I240 HydrophobicContact CB-CD1 4.49Å; Q238-I240 PolarHBondContact O-N 3.4Å
239R94.6Very high97.9Very high105 Ų10545 Ų4540%0.39622%0.223SC..  trans-72.2115170.4-176.6177.472.6108.46.5108.1A161 V163 E195 N241A161-R239 PolarHBondContact O-NH2 2.94Å; V163-R239 VanDerWaalsContact CB-O 3.31Å; V163-R239 WeakPolarHBondContact CB-O 3.26Å; V163-R239 WeakPolarHBondContact CG1-O 3.47Å; E195-R239 IonicContact OE2-CZ 3.95Å; E195-R239 IonicContact OE2-NH2 2.69Å; E195-R239 PolarHBondContact OE2-NH2 3.47Å; R239-N241 PolarHBondContact NH1-ND2 2.91Å; R239-N241 PolarHBondContact NH1-OD1 3.3Å
240I97.9Very high97.9Very high14 Ų1439.4 Ų39.47%0.07218%0.183CC..  trans-114.8119.1169.6-53.4-60.7000107.2V163 L165 Y198 L234 M235 Q238 V274V163-I240 HydrophobicContact CG1-CD1 3.88Å; L165-I240 HydrophobicContact CB-CG2 3.97Å; Y198-I240 HydrophobicContact CD2-CD1 3.51Å; Y198-I240 HydrophobicContact CE2-CD1 3.92Å; Y198-I240 HydrophobicContact CG-CD1 4.38Å; L234-I240 HydrophobicContact CD2-CD1 4.07Å; L234-I240 HydrophobicContact CG-CD1 4.14Å; L234-I240 HydrophobicContact CG-CG1 4.45Å; M235-I240 HydrophobicContact CG-CG1 4.17Å; Q238-I240 HydrophobicContact CB-CD1 4.49Å; Q238-I240 PolarHBondContact O-N 3.4Å; I240-V274 HydrophobicContact CB-CG1 4.46Å; I240-V274 HydrophobicContact CB-CG2 4.47Å; I240-V274 HydrophobicContact CG2-CG1 3.97Å
241N97.8Very high97.8Very high17 Ų1737.7 Ų37.79%0.09117%0.169CC..  trans-85.8-29.8-176.4-65.5105.4000113.3F156 P157 G162 V163 R239 P275F156-N241 HydrophobicContact CD1-CB 3.51Å; F156-N241 HydrophobicContact CE1-CB 3.61Å; P157-N241 VanDerWaalsContact CD-ND2 3.3Å; P157-N241 WeakPolarHBondContact CD-ND2 3.48Å; G162-N241 WeakPolarHBondContact CA-OD1 3.3Å; V163-N241 PolarHBondContact N-OD1 2.91Å; V163-N241 WeakPolarHBondContact O-CB 3.42Å; V163-N241 PolarHBondContact O-N 3.33Å; R239-N241 PolarHBondContact NH1-ND2 2.91Å; R239-N241 PolarHBondContact NH1-OD1 3.3Å; N241-P275 VanDerWaalsContact O-CD 3.26Å; N241-P275 WeakPolarHBondContact O-CD 3.33Å; N241-P275 VanDerWaalsContact O-CG 3.27Å; N241-P275 WeakPolarHBondContact O-CG 3.35Å
242A98.5Very high97.6Very high0 Ų038.9 Ų38.90%018%0.175CC..EExtended strand (participates in β ladder)trans-157.8152.1176.400000111.1I152 V164 L165 P275 F277I152-A242 HydrophobicContact CG2-CB 3.83Å; V164-A242 CarbonylContact C-O 3.47Å; V164-A242 VanDerWaalsContact CA-O 3.31Å; V164-A242 WeakPolarHBondContact CA-O 3.14Å; V164-A242 HydrophobicContact CG1-CB 4.37Å; L165-A242 PolarHBondContact N-O 3.15Å; A242-P275 HydrophobicContact CB-CG 4.18Å; A242-F277 HydrophobicContact CB-CD2 4.15Å; A242-F277 HydrophobicContact CB-CE2 4.05Å
243V98.9Very high97.5Very high0 Ų039.4 Ų39.40%017%0.171CC..EExtended strand (participates in β ladder)trans-103.3135.1162.5-175.90000108.4L165 M235 V245 I265 A269 V274 P275 F276 F277L165-V243 HydrophobicContact CB-CG2 4.28Å; L165-V243 HydrophobicContact CD2-CG2 4.16Å; L165-V243 CarbonylContact O-C 3.4Å; L165-V243 WeakPolarHBondContact O-CA 3.37Å; M235-V243 HydrophobicContact CE-CG2 3.41Å; M235-V243 VanDerWaalsContact CE-CG2 3.41Å; V243-V245 HydrophobicContact CG1-CG1 4.17Å; V243-I265 HydrophobicContact CG1-CG2 3.81Å; V243-I265 HydrophobicContact CG2-CG2 4.35Å; V243-A269 HydrophobicContact CG2-CB 3.94Å; V243-V274 HydrophobicContact CG2-CG1 3.95Å; V243-P275 PolarHBondContact N-O 3.1Å; V243-F276 HydrophobicContact CB-CD2 3.68Å; V243-F276 HydrophobicContact CB-CE2 4.21Å; V243-F276 HydrophobicContact CB-CG 4.41Å; V243-F276 HydrophobicContact CG1-CD2 3.58Å; V243-F276 HydrophobicContact CG1-CE2 3.56Å; V243-F276 HydrophobicContact CG2-CD2 4.28Å; V243-F277 PolarHBondContact O-N 3.01Å
244I98.8Very high97.5Very high0 Ų032.3 Ų32.30%014%0.144CC..EExtended strand (participates in β ladder)trans-132.7123.9173.818059.9000110.7I152 L165 T166 A181 I184 I185 F277 A279I152-I244 HydrophobicContact CD1-CB 3.77Å; I152-I244 HydrophobicContact CD1-CD1 4.14Å; I152-I244 HydrophobicContact CD1-CG1 3.87Å; I152-I244 HydrophobicContact CD1-CG2 4.18Å; L165-I244 PolarHBondContact O-N 3.22Å; T166-I244 VanDerWaalsContact CA-O 3.31Å; T166-I244 WeakPolarHBondContact CA-O 3.33Å; T166-I244 VanDerWaalsContact CB-O 3.22Å; T166-I244 WeakPolarHBondContact CB-O 3.42Å; T166-I244 PolarHBondContact OG1-O 3.09Å; A181-I244 HydrophobicContact CB-CD1 4.33Å; A181-I244 HydrophobicContact CB-CG1 3.7Å; I184-I244 HydrophobicContact CD1-CD1 4.13Å; I184-I244 HydrophobicContact CD1-CG1 4.25Å; I185-I244 HydrophobicContact CD1-CG2 4.13Å; I185-I244 HydrophobicContact CG1-CG2 4.23Å; I244-F277 HydrophobicContact CB-CB 4.46Å; I244-F277 HydrophobicContact CD1-CB 3.48Å; I244-F277 VanDerWaalsContact CD1-CB 3.48Å; I244-A279 HydrophobicContact CD1-CB 3.73Å
245V98.9Very high97.5Very high0 Ų032.3 Ų32.30%014%0.144CC..EExtended strand (participates in β ladder)trans-127.7165.7178.5-58.80000111.2H167 V243 T262 F276 F277 V278 A279H167-V245 HydrophobicContact CB-CG1 3.91Å; V243-V245 HydrophobicContact CG1-CG1 4.17Å; V245-T262 HydrophobicContact CG2-CG2 3.98Å; V245-F276 HydrophobicContact CG1-CE2 4.37Å; V245-F276 HydrophobicContact CG1-CZ 4.09Å; V245-F276 HydrophobicContact CG2-CE1 3.77Å; V245-F276 HydrophobicContact CG2-CZ 3.57Å; V245-F277 PolarHBondContact N-O 3.26Å; V245-F277 VanDerWaalsContact N-O 3.11Å; V245-V278 HydrophobicContact CG2-CG2 3.93Å; V245-V278 CarbonylContact O-C 3.59Å; V245-V278 WeakPolarHBondContact O-CA 3.47Å; V245-A279 PolarHBondContact O-N 3.43Å
246G98.2Very high97.5Very high0 Ų031.7 Ų31.70%014%0.141CC..  trans-88.5-169.8169.500000112.6N258 A279G246-N258 PolarHBondContact O-ND2 2.99Å; G246-N258 PolarHBondContact O-OD1 3.38Å; G246-A279 WeakPolarHBondContact CA-O 3.37Å
247A97.9Very high97.5Very high13 Ų1323.6 Ų23.611%0.10711%0.111CC..  trans-143.4149.3170.500000110.7V250 V256 V278 F280 T284A247-V250 HydrophobicContact CB-CG2 3.67Å; A247-V256 HydrophobicContact CB-CG1 3.78Å; A247-V278 HydrophobicContact CB-CG1 3.98Å; A247-F280 HydrophobicContact CB-CB 4.24Å; A247-F280 HydrophobicContact CB-CG 4.49Å; A247-T284 HydrophobicContact CB-CG2 4.01Å
248D96.4Very high97.5Very high19 Ų1918 Ų1810%0.1029%0.086CC..SBendtrans-94.7-28.8167.6-69.9-99000111.1T91 V93 A257 F325T91-D248 HydrophobicContact CG2-CB 4.14Å; V93-D248 PolarHBondContact N-O 3.26Å; D248-A257 PolarHBondContact N-O 3.38Å; D248-F325 HydrophobicContact CB-CD1 4.49Å; D248-F325 HydrophobicContact CB-CE1 4.17Å; D248-F325 WeakPolarHBondContact OD1-CE1 3.46Å; D248-F325 WeakPolarHBondContact OD2-CE1 3.33Å
249C96.6Very high97.6Very high1 Ų113.5 Ų13.51%0.0077%0.065CC..EExtended strand (participates in β ladder)trans-153138.1172.2177.70000109.7V93 A257 S286V93-C249 HydrophobicContact CG1-CB 3.92Å; V93-C249 HydrophobicContact CG2-CB 4.27Å; C249-A257 HydrophobicContact CB-CB 4.11Å; C249-A257 PolarHBondContact N-O 3.02Å; C249-A257 PolarHBondContact O-N 2.83Å; C249-S286 VanDerWaalsContact SG-CB 3.55Å
250V97.5Very high97.7Very high0 Ų010.8 Ų10.80%06%0.058CC..EExtended strand (participates in β ladder)trans-114.4123.7166.1-177.20000108.1A247 V256 F280 T284 L285 S286 Y337 L349A247-V250 HydrophobicContact CB-CG2 3.67Å; V250-V256 HydrophobicContact CG2-CG2 4.29Å; V250-F280 HydrophobicContact CB-CD2 4.47Å; V250-F280 HydrophobicContact CB-CE2 4.04Å; V250-F280 HydrophobicContact CB-CZ 4.2Å; V250-F280 HydrophobicContact CG1-CE2 4.37Å; V250-F280 HydrophobicContact CG1-CZ 4.11Å; V250-F280 HydrophobicContact CG2-CD1 3.93Å; V250-F280 HydrophobicContact CG2-CD2 3.82Å; V250-F280 HydrophobicContact CG2-CE1 3.88Å; V250-F280 HydrophobicContact CG2-CE2 3.74Å; V250-F280 HydrophobicContact CG2-CG 3.93Å; V250-F280 HydrophobicContact CG2-CZ 3.77Å; V250-T284 HydrophobicContact CG2-CG2 4.47Å; V250-T284 PolarHBondContact N-O 2.83Å; V250-L285 HydrophobicContact CB-CD1 4.14Å; V250-L285 HydrophobicContact CG1-CD1 3.98Å; V250-S286 PolarHBondContact O-N 3.3Å; V250-Y337 HydrophobicContact CG1-CD1 4.46Å; V250-Y337 HydrophobicContact CG1-CE1 4.26Å; V250-L349 HydrophobicContact CG1-CD1 4.06Å
251A96.8Very high97.7Very high0 Ų011.5 Ų11.50%07%0.068CC..  trans-77.7163.917600000111.1N253 G254 D255 T289A251-N253 VanDerWaalsContact C-N 3.28Å; A251-N253 WeakPolarHBondContact CB-OD1 3.24Å; A251-N253 PolarHBondContact O-N 3.13Å; A251-G254 WeakPolarHBondContact O-CA 3.19Å; A251-G254 PolarHBondContact O-N 3.05Å; A251-D255 HydrophobicContact CB-CB 4.22Å; A251-D255 PolarHBondContact N-O 3.49Å; A251-T289 WeakPolarHBondContact CA-O 3.47Å; A251-T289 HydrophobicContact CB-CG2 3.82Å; A251-T289 WeakPolarHBondContact CB-O 3.24Å
252M95.4Very high97.8Very high31 Ų3110.7 Ų10.715%0.1536%0.064CC..THydrogen-bonded Turntrans-66.9-25.2-176.2-69.7-53-55.300114.3G254 L285 T289 L353M252-G254 PolarHBondContact O-N 2.88Å; M252-L285 HydrophobicContact SD-CD1 4.02Å; M252-L285 HydrophobicContact SD-CD2 4.34Å; M252-L285 HydrophobicContact SD-CG 4.01Å; M252-T289 PolarHBondContact N-O 3.44Å; M252-L353 HydrophobicContact CE-CD1 3.81Å; M252-L353 HydrophobicContact SD-CD1 4.36Å
253N96.4Very high97.8Very high56 Ų5615.6 Ų15.630%0.2998%0.084SC..THydrogen-bonded Turntrans-81.21.5170.674.2-22.3000113.9A251 D255 P290 T291 S330A251-N253 VanDerWaalsContact C-N 3.28Å; A251-N253 WeakPolarHBondContact CB-OD1 3.24Å; A251-N253 PolarHBondContact O-N 3.13Å; N253-D255 PolarHBondContact ND2-OD1 3.25Å; N253-D255 PolarHBondContact ND2-OD2 3.18Å; N253-D255 WeakPolarHBondContact OD1-CB 3.07Å; N253-D255 VanDerWaalsContact OD1-CG 3.24Å; N253-D255 PolarHBondContact OD1-N 3.34Å; N253-D255 PolarHBondContact OD1-OD2 3.48Å; N253-P290 WeakPolarHBondContact CB-O 3.44Å; N253-P290 PolarHBondContact N-O 3.36Å; N253-P290 VanDerWaalsContact N-O 3.11Å; N253-P290 PolarHBondContact OD1-O 3.04Å; N253-T291 WeakPolarHBondContact OD1-CA 3.24Å; N253-S330 VanDerWaalsContact O-CB 3.31Å; N253-S330 WeakPolarHBondContact O-CB 3.36Å; N253-S330 PolarHBondContact O-OG 2.95Å; N253-S330 VanDerWaalsContact O-OG 3.14Å
254G97.9Very high97.8Very high0 Ų017.3 Ų17.30%010%0.101CC..  trans86.83.1-178.200000115.6A251 M252 V256 Y337A251-G254 WeakPolarHBondContact O-CA 3.19Å; A251-G254 PolarHBondContact O-N 3.05Å; M252-G254 PolarHBondContact O-N 2.88Å; G254-V256 WeakPolarHBondContact O-CG2 3.3Å; G254-Y337 WeakPolarHBondContact CA-OH 3.35Å; G254-Y337 WeakPolarHBondContact O-CE1 3.47Å; G254-Y337 PolarHBondContact O-OH 3.13Å
255D98.5Very high97.8Very high18 Ų1817.7 Ų17.710%0.09610%0.103CC..  trans-63.5139.6173.6-66.4-19.2000110.5A251 N253 G292 I327 P329 S330A251-D255 HydrophobicContact CB-CB 4.22Å; A251-D255 PolarHBondContact N-O 3.49Å; N253-D255 PolarHBondContact ND2-OD1 3.25Å; N253-D255 PolarHBondContact ND2-OD2 3.18Å; N253-D255 WeakPolarHBondContact OD1-CB 3.07Å; N253-D255 VanDerWaalsContact OD1-CG 3.24Å; N253-D255 PolarHBondContact OD1-N 3.34Å; N253-D255 PolarHBondContact OD1-OD2 3.48Å; D255-G292 PolarHBondContact OD2-N 3.42Å; D255-I327 HydrophobicContact CB-CG2 4.08Å; D255-P329 WeakPolarHBondContact OD1-CA 3.35Å; D255-S330 PolarHBondContact OD1-N 3.43Å
256V98.5Very high97.8Very high1 Ų117.7 Ų17.71%0.00610%0.103CC..EExtended strand (participates in β ladder)trans-113.9120.5-172.2177.70000109.8A247 V250 G254 N258 V278 I327 T328 V333 Y337A247-V256 HydrophobicContact CB-CG1 3.78Å; V250-V256 HydrophobicContact CG2-CG2 4.29Å; G254-V256 WeakPolarHBondContact O-CG2 3.3Å; V256-N258 HydrophobicContact CG1-CB 4.11Å; V256-V278 HydrophobicContact CG1-CG1 3.91Å; V256-V278 HydrophobicContact CG2-CB 4.49Å; V256-V278 HydrophobicContact CG2-CG1 4.08Å; V256-V278 HydrophobicContact CG2-CG2 4.16Å; V256-I327 CarbonylContact O-C 3.45Å; V256-I327 WeakPolarHBondContact O-CA 3.35Å; V256-T328 PolarHBondContact N-O 2.94Å; V256-T328 PolarHBondContact O-N 3.31Å; V256-V333 HydrophobicContact CG2-CG2 4.26Å; V256-Y337 HydrophobicContact CG2-CE1 3.85Å
257A98.1Very high97.8Very high0 Ų021.2 Ų21.20%012%0.121CC..EExtended strand (participates in β ladder)trans-89.6117.3163.300000109.1T91 D248 C249 V295 D326 I327T91-A257 HydrophobicContact CG2-CB 4.41Å; D248-A257 PolarHBondContact N-O 3.38Å; C249-A257 HydrophobicContact CB-CB 4.11Å; C249-A257 PolarHBondContact N-O 3.02Å; C249-A257 PolarHBondContact O-N 2.83Å; A257-V295 HydrophobicContact CB-CB 4.39Å; A257-V295 HydrophobicContact CB-CG1 3.73Å; A257-V295 HydrophobicContact CB-CG2 4.31Å; A257-D326 WeakPolarHBondContact CA-O 3.49Å; A257-I327 HydrophobicContact CB-CD1 3.65Å
258N97.9Very high97.9Very high3 Ų321.9 Ų21.92%0.01612%0.124CC..EExtended strand (participates in β ladder)trans-144.7175176.5-172.236.7000109.8G246 V256 I260 T262 F325 D326G246-N258 PolarHBondContact O-ND2 2.99Å; G246-N258 PolarHBondContact O-OD1 3.38Å; V256-N258 HydrophobicContact CG1-CB 4.11Å; N258-I260 PolarHBondContact O-N 2.94Å; N258-T262 HydrophobicContact CB-CG2 4.03Å; N258-T262 PolarHBondContact ND2-OG1 2.94Å; N258-F325 CarbonylContact O-C 3.59Å; N258-F325 WeakPolarHBondContact O-CA 3.34Å; N258-F325 VanDerWaalsContact O-CB 3.26Å; N258-F325 WeakPolarHBondContact O-CB 3.46Å; N258-D326 PolarHBondContact N-O 2.71Å; N258-D326 PolarHBondContact O-N 3.15Å
259K97.5Very high98Very high6 Ų621 Ų213%0.02612%0.119CC..EExtended strand (participates in β ladder)trans-45.1135.2-178.6-173.55247.3-162.10112.8C168 T202 G261 T262 A324C168-K259 HydrophobicContact CB-CB 3.68Å; C168-K259 HydrophobicContact CB-CG 3.85Å; T202-K259 HydrophobicContact CG2-CD 4.03Å; T202-K259 HydrophobicContact CG2-CG 3.39Å; K259-G261 PolarHBondContact O-N 2.94Å; K259-T262 WeakPolarHBondContact O-CB 3.49Å; K259-T262 PolarHBondContact O-N 2.96Å; K259-T262 PolarHBondContact O-OG1 2.95Å; K259-A324 WeakPolarHBondContact CD-O 3.45Å; K259-A324 WeakPolarHBondContact CE-O 3.31Å; K259-A324 PolarHBondContact NZ-O 3.25Å
260I98.1Very high98.1Very high48 Ų4824.7 Ų24.725%0.24614%0.138CC..THydrogen-bonded Turntrans-49.1129.6176.2-17360.9000111.1H167 N258 P323 A324 D326H167-I260 PolarHBondContact NE2-O 3.21Å; H167-I260 VanDerWaalsContact NE2-O 3.14Å; N258-I260 PolarHBondContact O-N 2.94Å; I260-P323 WeakPolarHBondContact CB-O 3.47Å; I260-P323 HydrophobicContact CD1-CG 4.05Å; I260-P323 HydrophobicContact CG1-CG 4.45Å; I260-A324 PolarHBondContact N-O 3.49Å; I260-D326 HydrophobicContact CD1-CB 3.83Å
261G98.3Very high98.1Very high28 Ų2831.1 Ų31.129%0.28917%0.168SC..THydrogen-bonded Turntrans108.4-20.2-170.400000113.3K259 Y263 G264 I265 D326K259-G261 PolarHBondContact O-N 2.94Å; G261-Y263 PolarHBondContact O-N 3Å; G261-G264 PolarHBondContact O-N 3.07Å; G261-I265 WeakPolarHBondContact O-CG1 3.43Å; G261-I265 PolarHBondContact O-N 2.87Å; G261-D326 PolarHBondContact N-OD2 2.99Å
262T98.8Very high98.2Very high0 Ų033.7 Ų33.70%018%0.18CC..Hα-helixtrans-59.9-46.6-179.8-57.90000111.6H167 V245 N258 K259 G264 I265 A266 F276 D326 T328H167-T262 PolarHBondContact CD2-OG1 2.93Å; V245-T262 HydrophobicContact CG2-CG2 3.98Å; N258-T262 HydrophobicContact CB-CG2 4.03Å; N258-T262 PolarHBondContact ND2-OG1 2.94Å; K259-T262 WeakPolarHBondContact O-CB 3.49Å; K259-T262 PolarHBondContact O-N 2.96Å; K259-T262 PolarHBondContact O-OG1 2.95Å; T262-G264 VanDerWaalsContact C-N 3.32Å; T262-G264 PolarHBondContact O-N 2.87Å; T262-I265 PolarHBondContact O-N 3.42Å; T262-A266 PolarHBondContact O-N 2.9Å; T262-F276 HydrophobicContact CG2-CZ 3.75Å; T262-D326 WeakPolarHBondContact CB-OD1 3.48Å; T262-D326 PolarHBondContact N-OD2 3.17Å; T262-D326 VanDerWaalsContact N-OD2 3.16Å; T262-T328 WeakPolarHBondContact CG2-OG1 3.44Å
263Y98.8Very high98.3Very high104 Ų10440.5 Ų40.541%0.40821%0.211SC..Hα-helixtrans-58.1-43.9177.1176.3-125.5000112.2G261 I265 A266 I267 D326 T328 P329 L332G261-Y263 PolarHBondContact O-N 3Å; Y263-I265 PolarHBondContact O-N 2.95Å; Y263-A266 PolarHBondContact O-N 2.81Å; Y263-I267 HydrophobicContact CD1-CD1 4.11Å; Y263-I267 HydrophobicContact CD2-CD1 4.29Å; Y263-I267 HydrophobicContact CD2-CG1 4.39Å; Y263-I267 HydrophobicContact CE1-CD1 3.67Å; Y263-I267 HydrophobicContact CE2-CD1 3.88Å; Y263-I267 HydrophobicContact CE2-CG1 4.06Å; Y263-I267 HydrophobicContact CG-CD1 4.41Å; Y263-I267 WeakPolarHBondContact O-CG1 3.25Å; Y263-I267 PolarHBondContact O-N 2.67Å; Y263-D326 PolarHBondContact N-OD1 3.09Å; Y263-D326 PolarHBondContact N-OD2 2.78Å; Y263-T328 WeakPolarHBondContact CA-OG1 3.34Å; Y263-T328 PolarHBondContact N-OG1 3.47Å; Y263-P329 HydrophobicContact CE2-CG 4.23Å; Y263-L332 HydrophobicContact CD2-CD1 3.71Å; Y263-L332 HydrophobicContact CE2-CD1 3.5Å; Y263-L332 VanDerWaalsContact CE2-CD1 3.5Å
264G98.7Very high98.4Very high35 Ų3538.3 Ų38.336%0.36120%0.199SC..Hα-helixtrans-63.6-39.4177.500000112.9G261 T262 T268G261-G264 PolarHBondContact O-N 3.07Å; T262-G264 VanDerWaalsContact C-N 3.32Å; T262-G264 PolarHBondContact O-N 2.87Å; G264-T268 WeakPolarHBondContact O-CB 3.34Å; G264-T268 PolarHBondContact O-N 2.78Å; G264-T268 VanDerWaalsContact O-N 3.11Å; G264-T268 PolarHBondContact O-OG1 3.49Å
265I98.9Very high98.4Very high9 Ų939.8 Ų39.85%0.04621%0.209CC..Hα-helixtrans-66-41.5174.7-63.3161.8000110.3L165 H167 T200 V231 M235 V243 G261 T262 Y263 T268 A269 F276L165-I265 HydrophobicContact CD2-CG2 4.02Å; H167-I265 HydrophobicContact CB-CD1 3.58Å; H167-I265 VanDerWaalsContact CG-CD1 3.43Å; H167-I265 WeakPolarHBondContact ND1-CD1 3.14Å; T200-I265 HydrophobicContact CG2-CD1 4.2Å; V231-I265 HydrophobicContact CG1-CG1 4.17Å; V231-I265 HydrophobicContact CG1-CG2 4.31Å; V231-I265 HydrophobicContact CG2-CG1 4.4Å; M235-I265 HydrophobicContact CE-CG2 4.06Å; V243-I265 HydrophobicContact CG1-CG2 3.81Å; V243-I265 HydrophobicContact CG2-CG2 4.35Å; G261-I265 WeakPolarHBondContact O-CG1 3.43Å; G261-I265 PolarHBondContact O-N 2.87Å; T262-I265 PolarHBondContact O-N 3.42Å; Y263-I265 PolarHBondContact O-N 2.95Å; I265-T268 WeakPolarHBondContact O-CB 3.42Å; I265-T268 PolarHBondContact O-N 3.26Å; I265-A269 WeakPolarHBondContact O-CB 3.31Å; I265-A269 PolarHBondContact O-N 3.41Å; I265-F276 HydrophobicContact CB-CE2 4.4Å; I265-F276 HydrophobicContact CG2-CE2 3.98Å
266A98.9Very high98.4Very high0 Ų039 Ų390%021%0.205CC..Hα-helixtrans-64.1-42.3-179.900000112.5T262 Y263 T268 A269 L270 F276 T328 L332T262-A266 PolarHBondContact O-N 2.9Å; Y263-A266 PolarHBondContact O-N 2.81Å; A266-T268 VanDerWaalsContact C-N 3.31Å; A266-T268 PolarHBondContact O-N 2.66Å; A266-A269 PolarHBondContact O-N 2.77Å; A266-L270 PolarHBondContact O-N 3.01Å; A266-F276 HydrophobicContact CB-CD1 4.32Å; A266-F276 HydrophobicContact CB-CD2 3.88Å; A266-F276 HydrophobicContact CB-CE1 4.15Å; A266-F276 HydrophobicContact CB-CE2 3.69Å; A266-F276 HydrophobicContact CB-CG 4.19Å; A266-F276 HydrophobicContact CB-CZ 3.83Å; A266-T328 HydrophobicContact CB-CG2 3.58Å; A266-L332 HydrophobicContact CB-CB 3.88Å; A266-L332 HydrophobicContact CB-CD1 4.06Å
267I98.8Very high98.4Very high74 Ų7439.2 Ų39.238%0.37921%0.206SC..Hα-helixtrans-58.4-46.9171.6-67.3168000110.6Y263 A269 L270 H271 L332Y263-I267 HydrophobicContact CD1-CD1 4.11Å; Y263-I267 HydrophobicContact CD2-CD1 4.29Å; Y263-I267 HydrophobicContact CD2-CG1 4.39Å; Y263-I267 HydrophobicContact CE1-CD1 3.67Å; Y263-I267 HydrophobicContact CE2-CD1 3.88Å; Y263-I267 HydrophobicContact CE2-CG1 4.06Å; Y263-I267 HydrophobicContact CG-CD1 4.41Å; Y263-I267 WeakPolarHBondContact O-CG1 3.25Å; Y263-I267 PolarHBondContact O-N 2.67Å; I267-A269 VanDerWaalsContact C-N 3.33Å; I267-A269 PolarHBondContact O-N 3.34Å; I267-L270 PolarHBondContact O-N 3.49Å; I267-H271 PolarHBondContact O-N 3.3Å; I267-L332 HydrophobicContact CG1-CD1 3.84Å
268T98.7Very high98.5Very high26 Ų2639.2 Ų39.216%0.1621%0.206CC..Hα-helixtrans-63.5-41.7-178.3-58.30000111.3V231 A232 M235 G264 I265 A266 H271 H272V231-T268 HydrophobicContact CG1-CG2 4.46Å; A232-T268 HydrophobicContact CB-CG2 3.62Å; M235-T268 HydrophobicContact CE-CG2 4.48Å; M235-T268 HydrophobicContact CG-CG2 4.42Å; M235-T268 HydrophobicContact SD-CG2 3.61Å; G264-T268 WeakPolarHBondContact O-CB 3.34Å; G264-T268 PolarHBondContact O-N 2.78Å; G264-T268 VanDerWaalsContact O-N 3.11Å; G264-T268 PolarHBondContact O-OG1 3.49Å; I265-T268 WeakPolarHBondContact O-CB 3.42Å; I265-T268 PolarHBondContact O-N 3.26Å; A266-T268 VanDerWaalsContact C-N 3.31Å; A266-T268 PolarHBondContact O-N 2.66Å; T268-H271 PolarHBondContact O-N 3Å; T268-H272 PolarHBondContact O-CD2 3.27Å; T268-H272 PolarHBondContact O-N 3.34Å; T268-H272 VanDerWaalsContact O-N 3.1Å
269A98.8Very high98.5Very high0 Ų039 Ų390%021%0.205CC..Hα-helixtrans-61.9-47.1176.500000111.2M235 V243 I265 A266 I267 H271 H272 H273 V274 F276M235-A269 HydrophobicContact CE-CB 4.08Å; M235-A269 HydrophobicContact SD-CB 4.31Å; V243-A269 HydrophobicContact CG2-CB 3.94Å; I265-A269 WeakPolarHBondContact O-CB 3.31Å; I265-A269 PolarHBondContact O-N 3.41Å; A266-A269 PolarHBondContact O-N 2.77Å; I267-A269 VanDerWaalsContact C-N 3.33Å; I267-A269 PolarHBondContact O-N 3.34Å; A269-H271 PolarHBondContact O-N 2.93Å; A269-H272 CarbonylContact O-C 3.53Å; A269-H272 PolarHBondContact O-N 3.47Å; A269-H273 PolarHBondContact O-N 3.33Å; A269-V274 CarbonylContact C-O 3.53Å; A269-V274 HydrophobicContact CB-CB 4.25Å; A269-V274 PolarHBondContact O-N 3.16Å; A269-F276 HydrophobicContact CB-CB 4.3Å; A269-F276 HydrophobicContact CB-CD2 4.07Å
270L98.6Very high98.5Very high80 Ų8038.8 Ų38.842%0.41920%0.204SC..Hα-helixtrans-58.2-47.2175.9179.667.2000111.8A266 I267 H272 H273 L332 T334A266-L270 PolarHBondContact O-N 3.01Å; I267-L270 PolarHBondContact O-N 3.49Å; L270-H272 VanDerWaalsContact C-N 3.25Å; L270-H272 PolarHBondContact O-N 3.34Å; L270-H273 PolarHBondContact O-N 3.28Å; L270-H273 VanDerWaalsContact O-N 3.15Å; L270-L332 HydrophobicContact CB-CD2 4.48Å; L270-L332 HydrophobicContact CD2-CD2 3.58Å; L270-T334 HydrophobicContact CD1-CG2 3.84Å
271H98.4Very high98.5Very high134 Ų13436.6 Ų36.662%0.6219%0.193SC*.Hα-helixtrans-59.7-34.6178.7174.4-90.5000112.9I267 T268 A269I267-H271 PolarHBondContact O-N 3.3Å; T268-H271 PolarHBondContact O-N 3Å; A269-H271 PolarHBondContact O-N 2.93Å
272H98.3Very high98.3Very high55 Ų5536.4 Ų36.426%0.25519%0.186SC..THydrogen-bonded Turntrans-96.79.8179.3-69.4-55.9000114.2M235 T268 A269 L270 V274M235-H272 HydrophobicContact CB-CB 4.25Å; T268-H272 PolarHBondContact O-CD2 3.27Å; T268-H272 PolarHBondContact O-N 3.34Å; T268-H272 VanDerWaalsContact O-N 3.1Å; A269-H272 CarbonylContact O-C 3.53Å; A269-H272 PolarHBondContact O-N 3.47Å; L270-H272 VanDerWaalsContact C-N 3.25Å; L270-H272 PolarHBondContact O-N 3.34Å; H272-V274 HydrophobicContact CB-CG2 4.14Å; H272-V274 PolarHBondContact O-N 3.45Å
273H97.5Very high98.1Very high173 Ų17339.3 Ų39.380%0.80120%0.204SC*.THydrogen-bonded Turntrans56.533.3-179-47-51.9000113.7A269 L270A269-H273 PolarHBondContact O-N 3.33Å; L270-H273 PolarHBondContact O-N 3.28Å; L270-H273 VanDerWaalsContact O-N 3.15Å
274V98.2Very high98Very high10 Ų1034.3 Ų34.36%0.06118%0.184CC..  trans-93.1125.9174-177.40000108.3M235 I240 V243 A269 H272 F276M235-V274 HydrophobicContact SD-CG2 4.4Å; I240-V274 HydrophobicContact CB-CG1 4.46Å; I240-V274 HydrophobicContact CB-CG2 4.47Å; I240-V274 HydrophobicContact CG2-CG1 3.97Å; V243-V274 HydrophobicContact CG2-CG1 3.95Å; A269-V274 CarbonylContact C-O 3.53Å; A269-V274 HydrophobicContact CB-CB 4.25Å; A269-V274 PolarHBondContact O-N 3.16Å; H272-V274 HydrophobicContact CB-CG2 4.14Å; H272-V274 PolarHBondContact O-N 3.45Å; V274-F276 PolarHBondContact O-N 3.48Å
275P98.3Very high97.8Very high32 Ų3232.8 Ų32.821%0.20817%0.168CC..  trans-64.8134177.927-33.9000110.7T155 N241 A242 V243 F277T155-P275 HydrophobicContact CG2-CG 4.32Å; N241-P275 VanDerWaalsContact O-CD 3.26Å; N241-P275 WeakPolarHBondContact O-CD 3.33Å; N241-P275 VanDerWaalsContact O-CG 3.27Å; N241-P275 WeakPolarHBondContact O-CG 3.35Å; A242-P275 HydrophobicContact CB-CG 4.18Å; V243-P275 PolarHBondContact N-O 3.1Å; P275-F277 HydrophobicContact CB-CD2 4.39Å; P275-F277 HydrophobicContact CB-CE2 3.73Å; P275-F277 HydrophobicContact CB-CZ 4.37Å; P275-F277 HydrophobicContact CG-CE2 4Å
276F98.8Very high97.5Very high1 Ų132.6 Ų32.60%0.00417%0.167CC..EExtended strand (participates in β ladder)trans-110.3113-178.7-171.4-82.5000110.6V243 V245 T262 I265 A266 A269 V274 V278 T328 V333 T334 G335V243-F276 HydrophobicContact CB-CD2 3.68Å; V243-F276 HydrophobicContact CB-CE2 4.21Å; V243-F276 HydrophobicContact CB-CG 4.41Å; V243-F276 HydrophobicContact CG1-CD2 3.58Å; V243-F276 HydrophobicContact CG1-CE2 3.56Å; V243-F276 HydrophobicContact CG2-CD2 4.28Å; V245-F276 HydrophobicContact CG1-CE2 4.37Å; V245-F276 HydrophobicContact CG1-CZ 4.09Å; V245-F276 HydrophobicContact CG2-CE1 3.77Å; V245-F276 HydrophobicContact CG2-CZ 3.57Å; T262-F276 HydrophobicContact CG2-CZ 3.75Å; I265-F276 HydrophobicContact CB-CE2 4.4Å; I265-F276 HydrophobicContact CG2-CE2 3.98Å; A266-F276 HydrophobicContact CB-CD1 4.32Å; A266-F276 HydrophobicContact CB-CD2 3.88Å; A266-F276 HydrophobicContact CB-CE1 4.15Å; A266-F276 HydrophobicContact CB-CE2 3.69Å; A266-F276 HydrophobicContact CB-CG 4.19Å; A266-F276 HydrophobicContact CB-CZ 3.83Å; A269-F276 HydrophobicContact CB-CB 4.3Å; A269-F276 HydrophobicContact CB-CD2 4.07Å; V274-F276 PolarHBondContact O-N 3.48Å; F276-V278 HydrophobicContact CD1-CG2 4.15Å; F276-V278 HydrophobicContact CE1-CG2 3.7Å; F276-T328 HydrophobicContact CE1-CG2 4.45Å; F276-V333 CarbonylContact O-C 3.15Å; F276-T334 PolarHBondContact N-OG1 3.29Å; F276-T334 PolarHBondContact O-N 3.46Å; F276-G335 WeakPolarHBondContact O-CA 3.38Å; F276-G335 PolarHBondContact O-N 3.37Å
277F98.9Very high97Very high5 Ų536 Ų362%0.02218%0.184CC..EExtended strand (participates in β ladder)trans-105.6150.5-179-65.7-93.7000111.7I152 T155 A242 V243 I244 V245 P275 G335 G336 V338 L343I152-F277 HydrophobicContact CD1-CD2 4.47Å; I152-F277 HydrophobicContact CG1-CD1 4.39Å; I152-F277 HydrophobicContact CG1-CD2 4.02Å; I152-F277 HydrophobicContact CG1-CE1 4.45Å; I152-F277 HydrophobicContact CG1-CE2 4.09Å; I152-F277 HydrophobicContact CG1-CG 4.17Å; I152-F277 HydrophobicContact CG1-CZ 4.31Å; T155-F277 HydrophobicContact CG2-CE2 4.08Å; T155-F277 HydrophobicContact CG2-CZ 3.71Å; A242-F277 HydrophobicContact CB-CD2 4.15Å; A242-F277 HydrophobicContact CB-CE2 4.05Å; V243-F277 PolarHBondContact O-N 3.01Å; I244-F277 HydrophobicContact CB-CB 4.46Å; I244-F277 HydrophobicContact CD1-CB 3.48Å; I244-F277 VanDerWaalsContact CD1-CB 3.48Å; V245-F277 PolarHBondContact N-O 3.26Å; V245-F277 VanDerWaalsContact N-O 3.11Å; P275-F277 HydrophobicContact CB-CD2 4.39Å; P275-F277 HydrophobicContact CB-CE2 3.73Å; P275-F277 HydrophobicContact CB-CZ 4.37Å; P275-F277 HydrophobicContact CG-CE2 4Å; F277-G335 VanDerWaalsContact CD1-C 3.42Å; F277-G335 WeakPolarHBondContact CD1-O 3.3Å; F277-G335 WeakPolarHBondContact CE1-O 3.39Å; F277-G336 WeakPolarHBondContact CA-O 3.47Å; F277-V338 HydrophobicContact CD1-CG2 4.2Å; F277-L343 HydrophobicContact CD1-CD1 4.13Å; F277-L343 HydrophobicContact CE1-CD1 4.05Å
278V98.8Very high96.6Very high0 Ų036.9 Ų36.90%020%0.197CC..EExtended strand (participates in β ladder)trans-126.7121.4173.8-176.60000109V245 A247 V256 F276 F280 V333 G336 Y337 V338V245-V278 HydrophobicContact CG2-CG2 3.93Å; V245-V278 CarbonylContact O-C 3.59Å; V245-V278 WeakPolarHBondContact O-CA 3.47Å; A247-V278 HydrophobicContact CB-CG1 3.98Å; V256-V278 HydrophobicContact CG1-CG1 3.91Å; V256-V278 HydrophobicContact CG2-CB 4.49Å; V256-V278 HydrophobicContact CG2-CG1 4.08Å; V256-V278 HydrophobicContact CG2-CG2 4.16Å; F276-V278 HydrophobicContact CD1-CG2 4.15Å; F276-V278 HydrophobicContact CE1-CG2 3.7Å; V278-F280 HydrophobicContact CG1-CD1 3.9Å; V278-F280 HydrophobicContact CG1-CE1 4.26Å; V278-V333 HydrophobicContact CB-CG1 4.43Å; V278-V333 HydrophobicContact CG2-CG1 3.89Å; V278-V333 HydrophobicContact CG2-CG2 4.01Å; V278-G336 PolarHBondContact N-O 2.9Å; V278-G336 VanDerWaalsContact N-O 3.1Å; V278-Y337 HydrophobicContact CB-CD1 4.38Å; V278-Y337 WeakPolarHBondContact O-CA 3.19Å; V278-V338 PolarHBondContact O-N 2.67Å
279A98.7Very high96.3Very high0 Ų036.4 Ų36.40%019%0.194CC..EExtended strand (participates in β ladder)trans-111.6125.9-179.800000112.9I144 T180 A181 I184 I244 V245 G246 V338I144-A279 HydrophobicContact CG2-CB 4Å; T180-A279 PolarHBondContact OG1-O 3.1Å; A181-A279 HydrophobicContact CB-CB 4.33Å; I184-A279 HydrophobicContact CD1-CB 3.39Å; I244-A279 HydrophobicContact CD1-CB 3.73Å; V245-A279 PolarHBondContact O-N 3.43Å; G246-A279 WeakPolarHBondContact CA-O 3.37Å; A279-V338 VanDerWaalsContact CA-O 3.31Å; A279-V338 WeakPolarHBondContact CA-O 3.37Å; A279-V338 HydrophobicContact CB-CB 4.17Å
280F97.8Very high96.1Very high1 Ų139.7 Ų39.70%0.00422%0.215CC..  trans-159151-176.158.8-75.6000110.2A247 V250 V278 T284 Y337 V338 T339 L349A247-F280 HydrophobicContact CB-CB 4.24Å; A247-F280 HydrophobicContact CB-CG 4.49Å; V250-F280 HydrophobicContact CB-CD2 4.47Å; V250-F280 HydrophobicContact CB-CE2 4.04Å; V250-F280 HydrophobicContact CB-CZ 4.2Å; V250-F280 HydrophobicContact CG1-CE2 4.37Å; V250-F280 HydrophobicContact CG1-CZ 4.11Å; V250-F280 HydrophobicContact CG2-CD1 3.93Å; V250-F280 HydrophobicContact CG2-CD2 3.82Å; V250-F280 HydrophobicContact CG2-CE1 3.88Å; V250-F280 HydrophobicContact CG2-CE2 3.74Å; V250-F280 HydrophobicContact CG2-CG 3.93Å; V250-F280 HydrophobicContact CG2-CZ 3.77Å; V278-F280 HydrophobicContact CG1-CD1 3.9Å; V278-F280 HydrophobicContact CG1-CE1 4.26Å; F280-T284 HydrophobicContact CB-CG2 3.98Å; F280-T284 HydrophobicContact CD2-CG2 4.28Å; F280-T284 HydrophobicContact CG-CG2 4.4Å; F280-Y337 AromaticContact CE1-CD1 3.67Å; F280-Y337 HydrophobicContact CE1-CD1 3.67Å; F280-Y337 HydrophobicContact CE1-CG 4.21Å; F280-Y337 AromaticContact CZ-CD1 3.97Å; F280-Y337 HydrophobicContact CZ-CD1 3.97Å; F280-Y337 HydrophobicContact CZ-CG 4.41Å; F280-V338 PolarHBondContact N-O 2.78Å; F280-T339 HydrophobicContact CD2-CG2 4.4Å; F280-T339 HydrophobicContact CE1-CG2 4.34Å; F280-T339 HydrophobicContact CE2-CG2 4.01Å; F280-T339 HydrophobicContact CZ-CG2 3.97Å; F280-T339 WeakPolarHBondContact O-CA 3.5Å; F280-T339 WeakPolarHBondContact O-CG2 3.02Å; F280-L349 HydrophobicContact CZ-CD2 3.94Å
281P96.9Very high96.1Very high1 Ų137.7 Ų37.71%0.00621%0.206CC..  trans-68.2153.3169.632-37.3000110P49 T140 I144 T283 T284 E340P49-P281 HydrophobicContact CG-CG 4.36Å; T140-P281 HydrophobicContact CG2-CB 3.53Å; I144-P281 HydrophobicContact CD1-CB 4.05Å; P281-T283 WeakPolarHBondContact CB-OG1 3.19Å; P281-T283 WeakPolarHBondContact CG-OG1 3.37Å; P281-T283 PolarHBondContact O-N 3.14Å; P281-T284 WeakPolarHBondContact CG-OG1 3.29Å; P281-T284 WeakPolarHBondContact O-CB 3.48Å; P281-T284 PolarHBondContact O-N 3.13Å; P281-E340 WeakPolarHBondContact CA-OE2 3.36Å
282T95.3Very high96Very high25 Ų2531.3 Ų31.315%0.15318%0.177CC..G310 helixtrans-56.5-21.8174.5580000113.2T284 L285 T339 E340 R341 L352T282-T284 PolarHBondContact O-N 3.23Å; T282-L285 WeakPolarHBondContact O-CB 3.49Å; T282-L285 PolarHBondContact O-N 2.98Å; T282-L285 VanDerWaalsContact O-N 3.07Å; T282-T339 HydrophobicContact CG2-CG2 4.34Å; T282-E340 VanDerWaalsContact CB-OE1 3.29Å; T282-E340 WeakPolarHBondContact CB-OE1 3.44Å; T282-E340 WeakPolarHBondContact CG2-OE1 3.4Å; T282-E340 PolarHBondContact N-OE2 2.99Å; T282-E340 PolarHBondContact OG1-OE1 3.05Å; T282-R341 HydrophobicContact CG2-CG 4.25Å; T282-L352 HydrophobicContact CG2-CB 3.89Å; T282-L352 HydrophobicContact CG2-CD1 4.4Å
283T94.3Very high95.9Very high60 Ų6035.8 Ų35.837%0.36820%0.203SC..G310 helixtrans-67.4-5.9171.663.20000114.8N94 N97 P281N94-T283 PolarHBondContact ND2-OG1 3.11Å; N94-T283 VanDerWaalsContact ND2-OG1 3.13Å; N97-T283 PolarHBondContact ND2-O 2.96Å; P281-T283 WeakPolarHBondContact CB-OG1 3.19Å; P281-T283 WeakPolarHBondContact CG-OG1 3.37Å; P281-T283 PolarHBondContact O-N 3.14Å
284T95.7Very high95.8Very high0 Ų033.2 Ų33.20%019%0.191CC..G310 helixtrans-96.7-5.5171.7-61.70000112.5V93 N94 A247 V250 F280 P281 T282V93-T284 VanDerWaalsContact CG2-O 3.31Å; V93-T284 WeakPolarHBondContact CG2-O 3.3Å; N94-T284 VanDerWaalsContact CG-OG1 3.31Å; N94-T284 PolarHBondContact ND2-OG1 2.65Å; N94-T284 PolarHBondContact OD1-OG1 3.37Å; A247-T284 HydrophobicContact CB-CG2 4.01Å; V250-T284 HydrophobicContact CG2-CG2 4.47Å; V250-T284 PolarHBondContact N-O 2.83Å; F280-T284 HydrophobicContact CB-CG2 3.98Å; F280-T284 HydrophobicContact CD2-CG2 4.28Å; F280-T284 HydrophobicContact CG-CG2 4.4Å; P281-T284 WeakPolarHBondContact CG-OG1 3.29Å; P281-T284 WeakPolarHBondContact O-CB 3.48Å; P281-T284 PolarHBondContact O-N 3.13Å; T282-T284 PolarHBondContact O-N 3.23Å
285L94.5Very high95.7Very high3 Ų333.5 Ų33.52%0.01619%0.192CC..BIsolated β-bridgetrans-75.9128.1170.7-170.958.8000110.1N97 V250 M252 T282 L349 L352 L353N97-L285 PolarHBondContact ND2-O 2.84Å; N97-L285 VanDerWaalsContact ND2-O 3.17Å; V250-L285 HydrophobicContact CB-CD1 4.14Å; V250-L285 HydrophobicContact CG1-CD1 3.98Å; M252-L285 HydrophobicContact SD-CD1 4.02Å; M252-L285 HydrophobicContact SD-CD2 4.34Å; M252-L285 HydrophobicContact SD-CG 4.01Å; T282-L285 WeakPolarHBondContact O-CB 3.49Å; T282-L285 PolarHBondContact O-N 2.98Å; T282-L285 VanDerWaalsContact O-N 3.07Å; L285-L349 HydrophobicContact CD2-CB 4.44Å; L285-L349 WeakPolarHBondContact CD2-O 3.27Å; L285-L352 HydrophobicContact CD2-CB 4.47Å; L285-L353 HydrophobicContact CD2-CD2 3.4Å; L285-L353 VanDerWaalsContact CD2-CD2 3.4Å; L285-L353 HydrophobicContact CD2-CG 4.15Å; L285-L353 HydrophobicContact CG-CD2 4Å
286S92.5Very high95.4Very high5 Ų539.3 Ų39.34%0.03521%0.214CC..  trans-103.495.9-178.3-175.40000111.3C249 V250 S288 T289C249-S286 VanDerWaalsContact SG-CB 3.55Å; V250-S286 PolarHBondContact O-N 3.3Å; S286-S288 PolarHBondContact O-N 3.47Å; S286-S288 VanDerWaalsContact O-N 3.12Å; S286-T289 WeakPolarHBondContact CB-OG1 3.5Å; S286-T289 PolarHBondContact O-N 2.64Å; S286-T289 WeakPolarHBondContact OG-CB 3.28Å; S286-T289 PolarHBondContact OG-OG1 2.91Å
287M88.8Confident95.1Very high71 Ų7141.5 Ų41.535%0.3523%0.226SC..THydrogen-bonded Turntrans-56.7-28.3177.5-61.8174.4-167.100113.5T289 L353 P354M287-T289 VanDerWaalsContact C-N 3.34Å; M287-L353 HydrophobicContact CE-CB 4.2Å; M287-L353 HydrophobicContact CE-CD1 4.5Å; M287-L353 HydrophobicContact CE-CD2 3.57Å; M287-L353 HydrophobicContact CE-CG 4.29Å; M287-L353 HydrophobicContact CG-CD1 3.93Å; M287-L353 HydrophobicContact CG-CD2 3.57Å; M287-L353 HydrophobicContact CG-CG 4.39Å; M287-L353 HydrophobicContact SD-CD1 4.5Å; M287-L353 HydrophobicContact SD-CD2 4.27Å; M287-P354 HydrophobicContact CE-CG 4.08Å
288S89.9Confident94.8Very high93 Ų9343.1 Ų43.165%0.6523%0.234SC*.THydrogen-bonded Turntrans-88.42.9-179.151.80000113.9S286S286-S288 PolarHBondContact O-N 3.47Å; S286-S288 VanDerWaalsContact O-N 3.12Å
289T93.7Very high94.6Very high15 Ų1548.2 Ų48.29%0.09226%0.259CS..  trans-118.598.2-176.1-58.30000109.3A251 M252 S286 M287 T291 H294 V295A251-T289 WeakPolarHBondContact CA-O 3.47Å; A251-T289 HydrophobicContact CB-CG2 3.82Å; A251-T289 WeakPolarHBondContact CB-O 3.24Å; M252-T289 PolarHBondContact N-O 3.44Å; S286-T289 WeakPolarHBondContact CB-OG1 3.5Å; S286-T289 PolarHBondContact O-N 2.64Å; S286-T289 WeakPolarHBondContact OG-CB 3.28Å; S286-T289 PolarHBondContact OG-OG1 2.91Å; M287-T289 VanDerWaalsContact C-N 3.34Å; T289-T291 VanDerWaalsContact CG2-O 3.32Å; T289-T291 WeakPolarHBondContact CG2-O 3.49Å; T289-H294 HydrophobicContact CG2-CB 3.93Å; T289-V295 HydrophobicContact CG2-CG2 3.67Å
290P95.2Very high94.3Very high70 Ų7049.9 Ų49.946%0.45527%0.265SS..SBendtrans-64-43.5-176.8-2434.4000113.4N253N253-P290 WeakPolarHBondContact CB-O 3.44Å; N253-P290 PolarHBondContact N-O 3.36Å; N253-P290 VanDerWaalsContact N-O 3.11Å; N253-P290 PolarHBondContact OD1-O 3.04Å
291T97.6Very high94.1Very high37 Ų3752.3 Ų52.323%0.22729%0.291CS..SBendtrans-138.4165.8-178.171.70000111.5N253 T289 D293 H294N253-T291 WeakPolarHBondContact OD1-CA 3.24Å; T289-T291 VanDerWaalsContact CG2-O 3.32Å; T289-T291 WeakPolarHBondContact CG2-O 3.49Å; T291-D293 PolarHBondContact O-N 3.3Å; T291-H294 WeakPolarHBondContact O-CB 3.31Å; T291-H294 PolarHBondContact O-N 3.29Å; T291-H294 PolarHBondContact OG1-CE1 3.09Å; T291-H294 PolarHBondContact OG1-ND1 3.15Å
292G96.4Very high94.1Very high1 Ų153 Ų531%0.0130%0.298CS..G310 helixtrans-58.6-28.4177.200000113.8D255 H294 V295D255-G292 PolarHBondContact OD2-N 3.42Å; G292-H294 PolarHBondContact O-N 3.02Å; G292-H294 VanDerWaalsContact O-N 3.13Å; G292-V295 WeakPolarHBondContact O-CB 3.27Å; G292-V295 PolarHBondContact O-N 3.48Å
293D96.2Very high94.1Very high148 Ų14854.5 Ų54.579%0.79131%0.305SS*.G310 helixtrans-61.6-20.9175.4-61-35.7000113.3T291T291-D293 PolarHBondContact O-N 3.3Å
294H96.4Very high94.1Very high119 Ų11953.4 Ų53.455%0.55130%0.295SS*.G310 helixtrans-90-3.4178.4-6278.8000112.6T289 T291 G292T289-H294 HydrophobicContact CG2-CB 3.93Å; T291-H294 WeakPolarHBondContact O-CB 3.31Å; T291-H294 PolarHBondContact O-N 3.29Å; T291-H294 PolarHBondContact OG1-CE1 3.09Å; T291-H294 PolarHBondContact OG1-ND1 3.15Å; G292-H294 PolarHBondContact O-N 3.02Å; G292-H294 VanDerWaalsContact O-N 3.13Å
295V94.4Very high94.1Very high16 Ų1656.1 Ų56.110%0.09731%0.309CS..SBendtrans-80.6124175.4-178.10000109.6T91 A257 T289 G292 I297 I327T91-V295 HydrophobicContact CG2-CG1 4.1Å; A257-V295 HydrophobicContact CB-CB 4.39Å; A257-V295 HydrophobicContact CB-CG1 3.73Å; A257-V295 HydrophobicContact CB-CG2 4.31Å; T289-V295 HydrophobicContact CG2-CG2 3.67Å; G292-V295 WeakPolarHBondContact O-CB 3.27Å; G292-V295 PolarHBondContact O-N 3.48Å; V295-I297 HydrophobicContact CG1-CD1 4.46Å; V295-I297 PolarHBondContact O-N 2.96Å; V295-I297 VanDerWaalsContact O-N 3.1Å; V295-I327 HydrophobicContact CB-CD1 3.94Å; V295-I327 HydrophobicContact CG1-CD1 4.38Å; V295-I327 HydrophobicContact CG2-CD1 4.23Å
296K92.3Very high94.2Very high154 Ų15457.7 Ų57.767%0.6731%0.314SS*.  trans-73.4103.2173.1-172.3177.3-178.6177.90110.4P90 T91P90-K296 HydrophobicContact CB-CD 4.42Å; P90-K296 HydrophobicContact CG-CD 4.21Å; T91-K296 PolarHBondContact OG1-O 3.27Å
297I93.3Very high94.3Very high48 Ų4862.3 Ų62.325%0.24633%0.331CS..  trans-71.5127.7173.6-58.6-62.6000110.4V295 M299 P323 F325 I327V295-I297 HydrophobicContact CG1-CD1 4.46Å; V295-I297 PolarHBondContact O-N 2.96Å; V295-I297 VanDerWaalsContact O-N 3.1Å; I297-M299 PolarHBondContact O-N 3.48Å; I297-P323 HydrophobicContact CG2-CB 3.93Å; I297-F325 HydrophobicContact CD1-CB 3.97Å; I297-F325 WeakPolarHBondContact CG2-O 3.43Å; I297-I327 HydrophobicContact CD1-CD1 3.81Å; I297-I327 HydrophobicContact CD1-CG1 4.18Å
298E91.8Very high94.5Very high39 Ų3962.3 Ų62.318%0.18233%0.332CS..  trans-75.6114.7175.4-175.4-173.3135.200111.1R89 R300 A324 F325R89-E298 IonicContact CZ-OE1 3.07Å; R89-E298 IonicContact CZ-OE2 2.87Å; R89-E298 IonicContact NE-OE2 3.53Å; R89-E298 IonicContact NH1-OE1 2.8Å; R89-E298 IonicContact NH2-OE1 2.69Å; R89-E298 PolarHBondContact NH2-OE1 2.93Å; R89-E298 IonicContact NH2-OE2 3.77Å; R89-E298 PolarHBondContact NH2-OE2 3.3Å; E298-R300 HydrophobicContact CG-CG 4.23Å; E298-R300 IonicContact OE1-CZ 3.38Å; E298-R300 IonicContact OE1-NE 2.71Å; E298-R300 PolarHBondContact OE1-NE 2.92Å; E298-R300 IonicContact OE1-NH2 2.94Å; E298-A324 HydrophobicContact CB-CB 4.26Å; E298-A324 WeakPolarHBondContact O-CB 3.37Å; E298-A324 PolarHBondContact O-N 3.41Å; E298-F325 HydrophobicContact CB-CD2 4.23Å; E298-F325 HydrophobicContact CB-CE2 4.1Å
299M94.4Very high94.3Very high107 Ų10763.5 Ų63.553%0.52734%0.34SS..BIsolated β-bridgetrans-84.8126.6169.4-63.8-55.5-60.500110.1I297 W321 P323I297-M299 PolarHBondContact O-N 3.48Å; M299-W321 VanDerWaalsContact CE-CD1 3.49Å; M299-W321 HydrophobicContact CE-CG 4.46Å; M299-P323 HydrophobicContact CE-CB 4.42Å; M299-P323 HydrophobicContact SD-CB 3.88Å
300R93Very high94.1Very high34 Ų3466 Ų6613%0.12837%0.369CS..  trans-108.1161.8-176.7-71.5-175.6-179.4-179.36.5112.5M43 E298 E304 N322 A324M43-R300 VanDerWaalsContact SD-CZ 3.52Å; M43-R300 PolarHBondContact SD-NH1 3.45Å; E298-R300 HydrophobicContact CG-CG 4.23Å; E298-R300 IonicContact OE1-CZ 3.38Å; E298-R300 IonicContact OE1-NE 2.71Å; E298-R300 PolarHBondContact OE1-NE 2.92Å; E298-R300 IonicContact OE1-NH2 2.94Å; R300-E304 WeakPolarHBondContact CD-OE1 3.33Å; R300-E304 VanDerWaalsContact CD-OE2 3.3Å; R300-E304 WeakPolarHBondContact CD-OE2 3.5Å; R300-E304 IonicContact CZ-OE2 2.77Å; R300-E304 IonicContact NE-OE2 3.87Å; R300-E304 IonicContact NH1-OE1 3.2Å; R300-E304 IonicContact NH1-OE2 2.62Å; R300-E304 PolarHBondContact NH1-OE2 3.27Å; R300-N322 WeakPolarHBondContact CB-ND2 3.36Å; R300-N322 PolarHBondContact N-O 2.83Å; R300-A324 HydrophobicContact CG-CB 3.99Å; R300-A324 VanDerWaalsContact NE-CB 3.32Å
301G93.6Very high94Very high53 Ų5367.3 Ų67.355%0.54638%0.375SS..  trans-62.7142.7-179.600000112.6N303 E304 N322G301-N303 PolarHBondContact O-N 2.92Å; G301-N303 VanDerWaalsContact O-N 3.14Å; G301-E304 WeakPolarHBondContact O-CB 3.47Å; G301-E304 PolarHBondContact O-N 3.35Å; G301-E304 VanDerWaalsContact O-N 3.1Å; G301-N322 PolarHBondContact O-ND2 2.87Å
302G96.1Very high93.9Very high15 Ų1568.5 Ų68.516%0.15538%0.379CS..THydrogen-bonded Turntrans-61.7-22.6-178.500000114.8E304 M305 R306G302-E304 PolarHBondContact O-N 3.18Å; G302-M305 PolarHBondContact O-N 3.27Å; G302-R306 WeakPolarHBondContact O-CG 3.46Å; G302-R306 PolarHBondContact O-N 2.88Å
303N95.3Very high93.9Very high56 Ų5672.4 Ų72.430%0.29940%0.403SS..Hα-helixtrans-62.7-23.7174.9-74.8-20.2000113.7G301 M305 R306 R307G301-N303 PolarHBondContact O-N 2.92Å; G301-N303 VanDerWaalsContact O-N 3.14Å; N303-M305 VanDerWaalsContact C-N 3.27Å; N303-M305 PolarHBondContact O-N 3.12Å; N303-R306 PolarHBondContact O-N 3.47Å; N303-R306 PolarHBondContact OD1-NE 3.12Å; N303-R306 PolarHBondContact OD1-NH2 2.96Å; N303-R307 PolarHBondContact ND2-NH2 3.2Å; N303-R307 VanDerWaalsContact O-CB 3.25Å; N303-R307 WeakPolarHBondContact O-CB 3.4Å; N303-R307 WeakPolarHBondContact O-CG 3.39Å; N303-R307 PolarHBondContact O-N 3.1Å
304E94.6Very high93.9Very high38 Ų3867 Ų6718%0.17838%0.378CS..Hα-helixtrans-63.6-37.4173.6-161.1178.964.700110.7P204 V205 R300 G301 G302 N322P204-E304 HydrophobicContact CB-CG 4.12Å; P204-E304 WeakPolarHBondContact CB-O 3.44Å; P204-E304 HydrophobicContact CG-CB 4.38Å; P204-E304 HydrophobicContact CG-CG 3.78Å; P204-E304 VanDerWaalsContact CG-OE1 3.29Å; P204-E304 WeakPolarHBondContact CG-OE1 3.39Å; V205-E304 HydrophobicContact CG2-CG 3.67Å; V205-E304 WeakPolarHBondContact CG2-OE2 3.39Å; R300-E304 WeakPolarHBondContact CD-OE1 3.33Å; R300-E304 VanDerWaalsContact CD-OE2 3.3Å; R300-E304 WeakPolarHBondContact CD-OE2 3.5Å; R300-E304 IonicContact CZ-OE2 2.77Å; R300-E304 IonicContact NE-OE2 3.87Å; R300-E304 IonicContact NH1-OE1 3.2Å; R300-E304 IonicContact NH1-OE2 2.62Å; R300-E304 PolarHBondContact NH1-OE2 3.27Å; G301-E304 WeakPolarHBondContact O-CB 3.47Å; G301-E304 PolarHBondContact O-N 3.35Å; G301-E304 VanDerWaalsContact O-N 3.1Å; G302-E304 PolarHBondContact O-N 3.18Å; E304-N322 PolarHBondContact OE1-ND2 2.8Å
305M96.3Very high93.9Very high56 Ų5665.4 Ų65.428%0.27638%0.379SS..Hα-helixtrans-79.2-39.2174.2-61.4-163.6-5500112.6R203 P204 G302 N303 R307 C320 N322R203-M305 PolarHBondContact NH2-O 2.95Å; P204-M305 HydrophobicContact CB-CG 3.98Å; P204-M305 HydrophobicContact CG-CG 4.31Å; G302-M305 PolarHBondContact O-N 3.27Å; N303-M305 VanDerWaalsContact C-N 3.27Å; N303-M305 PolarHBondContact O-N 3.12Å; M305-R307 VanDerWaalsContact C-N 3.3Å; M305-R307 PolarHBondContact O-N 2.87Å; M305-C320 HydrophobicContact CE-CB 3.31Å; M305-C320 WeakPolarHBondContact CE-SG 3.36Å; M305-N322 HydrophobicContact CE-CB 4.05Å; M305-N322 HydrophobicContact CG-CB 4.01Å; M305-N322 HydrophobicContact SD-CB 3.89Å
306R96.6Very high94Very high36 Ų3668 Ų6814%0.13640%0.395CS..Hα-helixtrans-82.1-1.9-175.2-58.7178.8-64.6-164.614.9114.2G302 N303 M312 T313 A314 P315 V316 T318 C320G302-R306 WeakPolarHBondContact O-CG 3.46Å; G302-R306 PolarHBondContact O-N 2.88Å; N303-R306 PolarHBondContact O-N 3.47Å; N303-R306 PolarHBondContact OD1-NE 3.12Å; N303-R306 PolarHBondContact OD1-NH2 2.96Å; R306-M312 HydrophobicContact CB-CE 3.61Å; R306-M312 CarbonylContact O-C 3.52Å; R306-M312 VanDerWaalsContact O-CA 3.3Å; R306-M312 WeakPolarHBondContact O-CA 3.38Å; R306-T313 PolarHBondContact O-N 3.35Å; R306-T313 PolarHBondContact O-OG1 3.36Å; R306-A314 HydrophobicContact CB-CB 4.31Å; R306-A314 HydrophobicContact CG-CB 4.14Å; R306-P315 WeakPolarHBondContact CD-O 3.48Å; R306-V316 PolarHBondContact NH1-O 3.38Å; R306-V316 PolarHBondContact NH2-O 3.19Å; R306-T318 PolarHBondContact NH1-O 3.23Å; R306-C320 VanDerWaalsContact CG-SG 3.59Å
307R94.7Very high94.2Very high103 Ų10367.9 Ų67.939%0.38940%0.396SS..EExtended strand (participates in β ladder)trans-131.2142.2179.6-62.2178.4-169.1173.1-1.8112.1N303 M305 V311 M312N303-R307 PolarHBondContact ND2-NH2 3.2Å; N303-R307 VanDerWaalsContact O-CB 3.25Å; N303-R307 WeakPolarHBondContact O-CB 3.4Å; N303-R307 WeakPolarHBondContact O-CG 3.39Å; N303-R307 PolarHBondContact O-N 3.1Å; M305-R307 VanDerWaalsContact C-N 3.3Å; M305-R307 PolarHBondContact O-N 2.87Å; R307-V311 CarbonylContact C-O 3.59Å; R307-V311 WeakPolarHBondContact CA-O 3.35Å; R307-M312 HydrophobicContact CG-CE 4.39Å; R307-M312 HydrophobicContact CG-CG 4.4Å; R307-M312 HydrophobicContact CG-SD 3.33Å; R307-M312 WeakPolarHBondContact CG-SD 3.32Å; R307-M312 PolarHBondContact NE-SD 3.37Å
308I92.7Very high94.4Very high71 Ų7168.1 Ų68.136%0.36440%0.4SS..EExtended strand (participates in β ladder)trans-127.6122.1167.2-57.1-175.1000107.1G310 V311 T313I308-G310 PolarHBondContact O-N 2.91Å; I308-G310 VanDerWaalsContact O-N 3.15Å; I308-V311 PolarHBondContact N-O 2.87Å; I308-V311 PolarHBondContact O-N 3.43Å; I308-T313 HydrophobicContact CB-CG2 4.17Å; I308-T313 HydrophobicContact CD1-CG2 4.08Å; I308-T313 HydrophobicContact CG1-CG2 3.87Å
309S86.8Confident94.7Very high117 Ų11772.1 Ų72.182%0.81843%0.429SS*.THydrogen-bonded Turntrans50.141.8178.5-58.70000114V311S309-V311 VanDerWaalsContact C-N 3.27Å; S309-V311 PolarHBondContact O-N 3.39Å
310G87.5Confident94.8Very high68 Ų6869.2 Ų69.270%0.70142%0.42SS*.THydrogen-bonded Turntrans83.2-10.2179.700000115.3I308I308-G310 PolarHBondContact O-N 2.91Å; I308-G310 VanDerWaalsContact O-N 3.15Å
311V94.5Very high95Very high97 Ų9777.4 Ų77.459%0.58845%0.45SS*.EExtended strand (participates in β ladder)trans-92.7129.4179.4-176.90000110R307 I308 S309 T313R307-V311 CarbonylContact C-O 3.59Å; R307-V311 WeakPolarHBondContact CA-O 3.35Å; I308-V311 PolarHBondContact N-O 2.87Å; I308-V311 PolarHBondContact O-N 3.43Å; S309-V311 VanDerWaalsContact C-N 3.27Å; S309-V311 PolarHBondContact O-N 3.39Å; V311-T313 PolarHBondContact O-N 3.38Å
312M95.7Very high95.2Very high63 Ų6375 Ų7531%0.3143%0.425SS..EExtended strand (participates in β ladder)trans-67.1129.2172.3-67.4-64.4-52.100110.2R306 R307 A314 V316R306-M312 HydrophobicContact CB-CE 3.61Å; R306-M312 CarbonylContact O-C 3.52Å; R306-M312 VanDerWaalsContact O-CA 3.3Å; R306-M312 WeakPolarHBondContact O-CA 3.38Å; R307-M312 HydrophobicContact CG-CE 4.39Å; R307-M312 HydrophobicContact CG-CG 4.4Å; R307-M312 HydrophobicContact CG-SD 3.33Å; R307-M312 WeakPolarHBondContact CG-SD 3.32Å; R307-M312 PolarHBondContact NE-SD 3.37Å; M312-A314 WeakPolarHBondContact CE-O 3.35Å; M312-V316 HydrophobicContact CE-CB 4.33Å; M312-V316 HydrophobicContact CE-CG2 3.6Å; M312-V316 HydrophobicContact CG-CG2 4.25Å; M312-V316 HydrophobicContact SD-CG2 3.98Å
313T95.7Very high95.2Very high82 Ų8275 Ų7550%0.50342%0.423SS..SBendtrans-110.3-0.3176.758.10000112.7R306 I308 V311R306-T313 PolarHBondContact O-N 3.35Å; R306-T313 PolarHBondContact O-OG1 3.36Å; I308-T313 HydrophobicContact CB-CG2 4.17Å; I308-T313 HydrophobicContact CD1-CG2 4.08Å; I308-T313 HydrophobicContact CG1-CG2 3.87Å; V311-T313 PolarHBondContact O-N 3.38Å
314A96.3Very high95.2Very high34 Ų3472.4 Ų72.428%0.28141%0.409SS..SBendtrans-149.3159.3173.200000109.4R306 M312R306-A314 HydrophobicContact CB-CB 4.31Å; R306-A314 HydrophobicContact CG-CB 4.14Å; M312-A314 WeakPolarHBondContact CE-O 3.35Å
315P97.3Very high95.3Very high86 Ų8671 Ų7156%0.55840%0.402SS*.  trans-53.6143173.2-25.934.5000112.7R306 E317 T318R306-P315 WeakPolarHBondContact CD-O 3.48Å; P315-E317 PolarHBondContact O-N 3.15Å; P315-E317 VanDerWaalsContact O-N 3.13Å; P315-T318 WeakPolarHBondContact CD-OG1 3.25Å; P315-T318 WeakPolarHBondContact O-CB 3.33Å; P315-T318 PolarHBondContact O-N 3.14Å; P315-T318 VanDerWaalsContact O-N 3.11Å; P315-T318 PolarHBondContact O-OG1 3.45Å
316V95.2Very high95.4Very high72 Ų7269.3 Ų69.344%0.43639%0.394SS..THydrogen-bonded Turntrans-64.8-18.3-174.3174.30000112.5R306 M312R306-V316 PolarHBondContact NH1-O 3.38Å; R306-V316 PolarHBondContact NH2-O 3.19Å; M312-V316 HydrophobicContact CE-CB 4.33Å; M312-V316 HydrophobicContact CE-CG2 3.6Å; M312-V316 HydrophobicContact CG-CG2 4.25Å; M312-V316 HydrophobicContact SD-CG2 3.98Å
317E95.9Very high95.5Very high150 Ų15069.6 Ų69.670%0.70140%0.398SS*.THydrogen-bonded Turntrans-92.4-12-177.1-57.868.7-150.200111.8P315 P319P315-E317 PolarHBondContact O-N 3.15Å; P315-E317 VanDerWaalsContact O-N 3.13Å; E317-P319 VanDerWaalsContact O-CD 3.24Å; E317-P319 WeakPolarHBondContact O-CD 3.02Å
318T97.6Very high95.7Very high53 Ų5364.7 Ų64.733%0.32538%0.379SS..  trans-59.4117.5-176.6-51.60000110.6R306 P315 C320R306-T318 PolarHBondContact NH1-O 3.23Å; P315-T318 WeakPolarHBondContact CD-OG1 3.25Å; P315-T318 WeakPolarHBondContact O-CB 3.33Å; P315-T318 PolarHBondContact O-N 3.14Å; P315-T318 VanDerWaalsContact O-N 3.11Å; P315-T318 PolarHBondContact O-OG1 3.45Å; T318-C320 PolarHBondContact O-SG 3.47Å; T318-C320 VanDerWaalsContact O-SG 3.34Å
319P97.9Very high96Very high123 Ų12363.2 Ų63.280%0.79937%0.374SS*.  trans-60.1148175.9-23.835.1000111.7E317E317-P319 VanDerWaalsContact O-CD 3.24Å; E317-P319 WeakPolarHBondContact O-CD 3.02Å
320C97.5Very high96.5Very high47 Ų4759.1 Ų59.132%0.31835%0.346SS..  trans-140.5123.7-167-820000110.5M305 R306 T318M305-C320 HydrophobicContact CE-CB 3.31Å; M305-C320 WeakPolarHBondContact CE-SG 3.36Å; R306-C320 VanDerWaalsContact CG-SG 3.59Å; T318-C320 PolarHBondContact O-SG 3.47Å; T318-C320 VanDerWaalsContact O-SG 3.34Å
321W97.1Very high97Very high205 Ų20561.2 Ų61.278%0.77735%0.345SS*.  trans-102.9107.9166.5-178.556.3000108.7M299 P323M299-W321 VanDerWaalsContact CE-CD1 3.49Å; M299-W321 HydrophobicContact CE-CG 4.46Å; W321-P323 HydrophobicContact CZ2-CG 4.2Å
322N97Very high97.2Very high4 Ų457.4 Ų57.42%0.02132%0.322CS..  trans-128.973.6-170.4-17424.4000112.4R300 G301 E304 M305R300-N322 WeakPolarHBondContact CB-ND2 3.36Å; R300-N322 PolarHBondContact N-O 2.83Å; G301-N322 PolarHBondContact O-ND2 2.87Å; E304-N322 PolarHBondContact OE1-ND2 2.8Å; M305-N322 HydrophobicContact CE-CB 4.05Å; M305-N322 HydrophobicContact CG-CB 4.01Å; M305-N322 HydrophobicContact SD-CB 3.89Å
323P97.2Very high97.4Very high15 Ų1554.7 Ų54.710%0.09731%0.309CS..BIsolated β-bridgetrans-69.9129.7167.630.2-32.7000109.9I260 I297 M299 W321 F325I260-P323 WeakPolarHBondContact CB-O 3.47Å; I260-P323 HydrophobicContact CD1-CG 4.05Å; I260-P323 HydrophobicContact CG1-CG 4.45Å; I297-P323 HydrophobicContact CG2-CB 3.93Å; M299-P323 HydrophobicContact CE-CB 4.42Å; M299-P323 HydrophobicContact SD-CB 3.88Å; W321-P323 HydrophobicContact CZ2-CG 4.2Å; P323-F325 VanDerWaalsContact C-N 3.26Å; P323-F325 PolarHBondContact O-N 3.19Å
324A95.3Very high97.5Very high1 Ų153 Ų531%0.00830%0.298CS..SBendtrans-74.8-18-18000000113.7K259 I260 E298 R300K259-A324 WeakPolarHBondContact CD-O 3.45Å; K259-A324 WeakPolarHBondContact CE-O 3.31Å; K259-A324 PolarHBondContact NZ-O 3.25Å; I260-A324 PolarHBondContact N-O 3.49Å; E298-A324 HydrophobicContact CB-CB 4.26Å; E298-A324 WeakPolarHBondContact O-CB 3.37Å; E298-A324 PolarHBondContact O-N 3.41Å; R300-A324 HydrophobicContact CG-CB 3.99Å; R300-A324 VanDerWaalsContact NE-CB 3.32Å
325F97.1Very high97.6Very high7 Ų752 Ų523%0.03129%0.291CS..EExtended strand (participates in β ladder)trans-142.5155-172.6-54.4-77.3000109.3T91 D248 N258 I297 E298 P323T91-F325 HydrophobicContact CG2-CD2 3.82Å; T91-F325 HydrophobicContact CG2-CE2 4Å; T91-F325 HydrophobicContact CG2-CG 4.16Å; D248-F325 HydrophobicContact CB-CD1 4.49Å; D248-F325 HydrophobicContact CB-CE1 4.17Å; D248-F325 WeakPolarHBondContact OD1-CE1 3.46Å; D248-F325 WeakPolarHBondContact OD2-CE1 3.33Å; N258-F325 CarbonylContact O-C 3.59Å; N258-F325 WeakPolarHBondContact O-CA 3.34Å; N258-F325 VanDerWaalsContact O-CB 3.26Å; N258-F325 WeakPolarHBondContact O-CB 3.46Å; I297-F325 HydrophobicContact CD1-CB 3.97Å; I297-F325 WeakPolarHBondContact CG2-O 3.43Å; E298-F325 HydrophobicContact CB-CD2 4.23Å; E298-F325 HydrophobicContact CB-CE2 4.1Å; P323-F325 VanDerWaalsContact C-N 3.26Å; P323-F325 PolarHBondContact O-N 3.19Å
326D97.9Very high97.6Very high22 Ų2248 Ų4812%0.11827%0.266CS..EExtended strand (participates in β ladder)trans-120.6168.4164.457.842.3000110.6A257 N258 I260 G261 T262 Y263A257-D326 WeakPolarHBondContact CA-O 3.49Å; N258-D326 PolarHBondContact N-O 2.71Å; N258-D326 PolarHBondContact O-N 3.15Å; I260-D326 HydrophobicContact CD1-CB 3.83Å; G261-D326 PolarHBondContact N-OD2 2.99Å; T262-D326 WeakPolarHBondContact CB-OD1 3.48Å; T262-D326 PolarHBondContact N-OD2 3.17Å; T262-D326 VanDerWaalsContact N-OD2 3.16Å; Y263-D326 PolarHBondContact N-OD1 3.09Å; Y263-D326 PolarHBondContact N-OD2 2.78Å
327I98.6Very high97.8Very high41 Ų4144.7 Ų44.721%0.2125%0.245CC..EExtended strand (participates in β ladder)trans-101.6121173.2-58.5-57.1000108D255 V256 A257 V295 I297D255-I327 HydrophobicContact CB-CG2 4.08Å; V256-I327 CarbonylContact O-C 3.45Å; V256-I327 WeakPolarHBondContact O-CA 3.35Å; A257-I327 HydrophobicContact CB-CD1 3.65Å; V295-I327 HydrophobicContact CB-CD1 3.94Å; V295-I327 HydrophobicContact CG1-CD1 4.38Å; V295-I327 HydrophobicContact CG2-CD1 4.23Å; I297-I327 HydrophobicContact CD1-CD1 3.81Å; I297-I327 HydrophobicContact CD1-CG1 4.18Å
328T98.7Very high97.9Very high0 Ų037.6 Ų37.60%021%0.212CC..EExtended strand (participates in β ladder)trans-98.2113.1170.2-59.80000108.6V256 T262 Y263 A266 F276 L332V256-T328 PolarHBondContact N-O 2.94Å; V256-T328 PolarHBondContact O-N 3.31Å; T262-T328 WeakPolarHBondContact CG2-OG1 3.44Å; Y263-T328 WeakPolarHBondContact CA-OG1 3.34Å; Y263-T328 PolarHBondContact N-OG1 3.47Å; A266-T328 HydrophobicContact CB-CG2 3.58Å; F276-T328 HydrophobicContact CE1-CG2 4.45Å; T328-L332 HydrophobicContact CG2-CB 4.06Å; T328-L332 HydrophobicContact CG2-CD1 4.48Å
329P98.6Very high97.9Very high40 Ų4035 Ų3526%0.2620%0.196SC..  trans-59.8146.2178.2-25.835.5000112.5D255 Y263 T331 L332D255-P329 WeakPolarHBondContact OD1-CA 3.35Å; Y263-P329 HydrophobicContact CE2-CG 4.23Å; P329-T331 PolarHBondContact O-N 3.46Å; P329-T331 VanDerWaalsContact O-N 3.09Å; P329-L332 PolarHBondContact O-N 2.94Å
330S98.3Very high97.9Very high31 Ų3130.9 Ų30.922%0.21717%0.166CC..G310 helixtrans-57-27.8179.561.70000114.1N253 D255 L332 V333 Y337N253-S330 VanDerWaalsContact O-CB 3.31Å; N253-S330 WeakPolarHBondContact O-CB 3.36Å; N253-S330 PolarHBondContact O-OG 2.95Å; N253-S330 VanDerWaalsContact O-OG 3.14Å; D255-S330 PolarHBondContact OD1-N 3.43Å; S330-L332 PolarHBondContact O-N 3.27Å; S330-V333 PolarHBondContact O-N 3.41Å; S330-Y337 WeakPolarHBondContact CA-OH 3.47Å; S330-Y337 WeakPolarHBondContact CB-OH 3.31Å
331T98.2Very high97.8Very high113 Ų11334.7 Ų34.769%0.69317%0.174SC*.G310 helixtrans-63.8-18.9175.755.50000113.9P329P329-T331 PolarHBondContact O-N 3.46Å; P329-T331 VanDerWaalsContact O-N 3.09Å
332L98.7Very high97.7Very high17 Ų1725.2 Ų25.29%0.08914%0.14CC..G310 helixtrans-94-8.9174.9-59.5-175.1000113.3Y263 A266 I267 L270 T328 P329 S330 T334Y263-L332 HydrophobicContact CD2-CD1 3.71Å; Y263-L332 HydrophobicContact CE2-CD1 3.5Å; Y263-L332 VanDerWaalsContact CE2-CD1 3.5Å; A266-L332 HydrophobicContact CB-CB 3.88Å; A266-L332 HydrophobicContact CB-CD1 4.06Å; I267-L332 HydrophobicContact CG1-CD1 3.84Å; L270-L332 HydrophobicContact CB-CD2 4.48Å; L270-L332 HydrophobicContact CD2-CD2 3.58Å; T328-L332 HydrophobicContact CG2-CB 4.06Å; T328-L332 HydrophobicContact CG2-CD1 4.48Å; P329-L332 PolarHBondContact O-N 2.94Å; S330-L332 PolarHBondContact O-N 3.27Å; L332-T334 PolarHBondContact O-N 2.98Å
333V98.7Very high97.7Very high6 Ų629.1 Ų29.14%0.03616%0.16CC..  trans-83.270.1175.7-172.90000109.4V256 F276 V278 S330 G336 Y337V256-V333 HydrophobicContact CG2-CG2 4.26Å; F276-V333 CarbonylContact O-C 3.15Å; V278-V333 HydrophobicContact CB-CG1 4.43Å; V278-V333 HydrophobicContact CG2-CG1 3.89Å; V278-V333 HydrophobicContact CG2-CG2 4.01Å; S330-V333 PolarHBondContact O-N 3.41Å; V333-G336 WeakPolarHBondContact CG1-O 3.37Å; V333-Y337 HydrophobicContact CB-CE1 4.37Å; V333-Y337 HydrophobicContact CB-CE2 4.18Å; V333-Y337 HydrophobicContact CG1-CD1 4.32Å; V333-Y337 HydrophobicContact CG1-CD2 4.26Å; V333-Y337 HydrophobicContact CG1-CE1 4.01Å; V333-Y337 HydrophobicContact CG1-CE2 3.9Å; V333-Y337 HydrophobicContact CG1-CG 4.44Å; V333-Y337 HydrophobicContact CG2-CE1 4.17Å
334T98.4Very high97.7Very high47 Ų4729.4 Ų29.429%0.28816%0.162SC..  trans-73.7-27-170.354.50000114.2L270 F276 L332L270-T334 HydrophobicContact CD1-CG2 3.84Å; F276-T334 PolarHBondContact N-OG1 3.29Å; F276-T334 PolarHBondContact O-N 3.46Å; L332-T334 PolarHBondContact O-N 2.98Å
335G98.2Very high97.8Very high13 Ų1336.9 Ų36.913%0.13419%0.19CC..SBendtrans-82-30.7176.700000113.2F276 F277F276-G335 WeakPolarHBondContact O-CA 3.38Å; F276-G335 PolarHBondContact O-N 3.37Å; F277-G335 VanDerWaalsContact CD1-C 3.42Å; F277-G335 WeakPolarHBondContact CD1-O 3.3Å; F277-G335 WeakPolarHBondContact CE1-O 3.39Å
336G98.3Very high97.7Very high2 Ų237.9 Ų37.92%0.02120%0.2CC..EExtended strand (participates in β ladder)trans110.7-176.3179.500000114F277 V278 V333 C344F277-G336 WeakPolarHBondContact CA-O 3.47Å; V278-G336 PolarHBondContact N-O 2.9Å; V278-G336 VanDerWaalsContact N-O 3.1Å; V333-G336 WeakPolarHBondContact CG1-O 3.37Å; G336-C344 WeakPolarHBondContact CA-O 2.9Å
337Y98.6Very high97.5Very high2 Ų243.5 Ų43.51%0.00823%0.23CC..EExtended strand (participates in β ladder)trans-107.9120.5-174-58.3-94000109.2V250 G254 V256 V278 F280 S330 V333 L343 C344 A346 L349V250-Y337 HydrophobicContact CG1-CD1 4.46Å; V250-Y337 HydrophobicContact CG1-CE1 4.26Å; G254-Y337 WeakPolarHBondContact CA-OH 3.35Å; G254-Y337 WeakPolarHBondContact O-CE1 3.47Å; G254-Y337 PolarHBondContact O-OH 3.13Å; V256-Y337 HydrophobicContact CG2-CE1 3.85Å; V278-Y337 HydrophobicContact CB-CD1 4.38Å; V278-Y337 WeakPolarHBondContact O-CA 3.19Å; F280-Y337 AromaticContact CE1-CD1 3.67Å; F280-Y337 HydrophobicContact CE1-CD1 3.67Å; F280-Y337 HydrophobicContact CE1-CG 4.21Å; F280-Y337 AromaticContact CZ-CD1 3.97Å; F280-Y337 HydrophobicContact CZ-CD1 3.97Å; F280-Y337 HydrophobicContact CZ-CG 4.41Å; S330-Y337 WeakPolarHBondContact CA-OH 3.47Å; S330-Y337 WeakPolarHBondContact CB-OH 3.31Å; V333-Y337 HydrophobicContact CB-CE1 4.37Å; V333-Y337 HydrophobicContact CB-CE2 4.18Å; V333-Y337 HydrophobicContact CG1-CD1 4.32Å; V333-Y337 HydrophobicContact CG1-CD2 4.26Å; V333-Y337 HydrophobicContact CG1-CE1 4.01Å; V333-Y337 HydrophobicContact CG1-CE2 3.9Å; V333-Y337 HydrophobicContact CG1-CG 4.44Å; V333-Y337 HydrophobicContact CG2-CE1 4.17Å; Y337-L343 WeakPolarHBondContact O-CA 3.43Å; Y337-C344 PolarHBondContact N-O 3.13Å; Y337-C344 PolarHBondContact O-N 2.89Å; Y337-A346 HydrophobicContact CE2-CB 3.86Å; Y337-L349 HydrophobicContact CD1-CD1 4.45Å; Y337-L349 HydrophobicContact CD1-CD2 4.23Å; Y337-L349 HydrophobicContact CD2-CD2 4.37Å; Y337-L349 HydrophobicContact CE1-CD1 4.31Å; Y337-L349 HydrophobicContact CE2-CD1 4.45Å; Y337-L349 HydrophobicContact CG-CD2 3.96Å
338V98.4Very high97.2Very high0 Ų042.4 Ų42.40%023%0.229CC..EExtended strand (participates in β ladder)trans-103.4125.3-179.7-178.90000109.3I144 E147 G148 A151 I184 F277 V278 A279 F280 L343I144-V338 HydrophobicContact CG2-CG1 4.36Å; E147-V338 HydrophobicContact CB-CG1 4.43Å; G148-V338 VanDerWaalsContact CA-CG1 3.45Å; A151-V338 HydrophobicContact CB-CG2 4.48Å; I184-V338 HydrophobicContact CD1-CB 4.39Å; I184-V338 HydrophobicContact CD1-CG1 4Å; F277-V338 HydrophobicContact CD1-CG2 4.2Å; V278-V338 PolarHBondContact O-N 2.67Å; A279-V338 VanDerWaalsContact CA-O 3.31Å; A279-V338 WeakPolarHBondContact CA-O 3.37Å; A279-V338 HydrophobicContact CB-CB 4.17Å; F280-V338 PolarHBondContact N-O 2.78Å; V338-L343 HydrophobicContact CG2-CD1 3.79Å
339T97.9Very high97Very high0 Ų042.4 Ų42.40%023%0.229CC..EExtended strand (participates in β ladder)trans-131.4179.6175.569.60000110.4F280 T282 R341 G342 L352F280-T339 HydrophobicContact CD2-CG2 4.4Å; F280-T339 HydrophobicContact CE1-CG2 4.34Å; F280-T339 HydrophobicContact CE2-CG2 4.01Å; F280-T339 HydrophobicContact CZ-CG2 3.97Å; F280-T339 WeakPolarHBondContact O-CA 3.5Å; F280-T339 WeakPolarHBondContact O-CG2 3.02Å; T282-T339 HydrophobicContact CG2-CG2 4.34Å; T339-R341 PolarHBondContact O-N 3.31Å; T339-R341 VanDerWaalsContact O-N 3.14Å; T339-R341 PolarHBondContact OG1-N 3.24Å; T339-R341 VanDerWaalsContact OG1-N 3.1Å; T339-G342 PolarHBondContact N-O 3.31Å; T339-G342 PolarHBondContact O-N 3.11Å; T339-G342 PolarHBondContact OG1-O 3.12Å; T339-L352 HydrophobicContact CG2-CD1 3.75Å
340E96.5Very high96.5Very high35 Ų3546.4 Ų46.416%0.16424%0.244CC..THydrogen-bonded Turntrans-64.8-10.1170.475.2-74.6-179.200113.4T140 L143 I144 P281 T282T140-E340 HydrophobicContact CG2-CB 3.85Å; T140-E340 HydrophobicContact CG2-CG 3.9Å; L143-E340 HydrophobicContact CB-CB 3.82Å; L143-E340 HydrophobicContact CD1-CB 4.22Å; I144-E340 HydrophobicContact CG1-CB 4.17Å; I144-E340 VanDerWaalsContact CG1-N 3.34Å; P281-E340 WeakPolarHBondContact CA-OE2 3.36Å; T282-E340 VanDerWaalsContact CB-OE1 3.29Å; T282-E340 WeakPolarHBondContact CB-OE1 3.44Å; T282-E340 WeakPolarHBondContact CG2-OE1 3.4Å; T282-E340 PolarHBondContact N-OE2 2.99Å; T282-E340 PolarHBondContact OG1-OE1 3.05Å
341R95.4Very high96.1Very high127 Ų12749.1 Ų49.148%0.47926%0.263SS..THydrogen-bonded Turntrans-99.311.1174.2-55.9-171.4-178.9-170.94.4113T282 T339 L352T282-R341 HydrophobicContact CG2-CG 4.25Å; T339-R341 PolarHBondContact O-N 3.31Å; T339-R341 VanDerWaalsContact O-N 3.14Å; T339-R341 PolarHBondContact OG1-N 3.24Å; T339-R341 VanDerWaalsContact OG1-N 3.1Å; R341-L352 HydrophobicContact CB-CD2 3.94Å; R341-L352 VanDerWaalsContact NH1-C 3.33Å; R341-L352 PolarHBondContact NH1-O 3.23Å; R341-L352 PolarHBondContact NH2-O 3.23Å
342G95.7Very high95.6Very high6 Ų644.2 Ų44.26%0.06223%0.233CC..EExtended strand (participates in β ladder)trans96.7-165.6-179.800000114.2E147 T339E147-G342 WeakPolarHBondContact OE2-CA 3.09Å; T339-G342 PolarHBondContact N-O 3.31Å; T339-G342 PolarHBondContact O-N 3.11Å; T339-G342 PolarHBondContact OG1-O 3.12Å
343L97.1Very high94.7Very high86 Ų8644.7 Ų44.745%0.4524%0.235SC..EExtended strand (participates in β ladder)trans-88.6134.1-179.4179.771.4000111.3A151 F277 Y337 V338A151-L343 HydrophobicContact CB-CB 4.23Å; A151-L343 HydrophobicContact CB-CD1 4.33Å; A151-L343 HydrophobicContact CB-CD2 3.99Å; A151-L343 HydrophobicContact CB-CG 4.41Å; F277-L343 HydrophobicContact CD1-CD1 4.13Å; F277-L343 HydrophobicContact CE1-CD1 4.05Å; Y337-L343 WeakPolarHBondContact O-CA 3.43Å; V338-L343 HydrophobicContact CG2-CD1 3.79Å
344C96.8Very high93.2Very high21 Ų2148.3 Ų48.314%0.14226%0.259CS..EExtended strand (participates in β ladder)trans-140.1170.3170.368.70000112.7G336 Y337G336-C344 WeakPolarHBondContact CA-O 2.9Å; Y337-C344 PolarHBondContact N-O 3.13Å; Y337-C344 PolarHBondContact O-N 2.89Å
345R97.2Very high90.9Very high158 Ų15854.2 Ų54.260%0.59629%0.288SS*.  trans-97.4174.4167.8-58.2-170.680.383.35.1109.7D347 G348R345-D347 VanDerWaalsContact C-N 3.26Å; R345-D347 VanDerWaalsContact CB-OD1 3.3Å; R345-D347 WeakPolarHBondContact CB-OD1 3.38Å; R345-D347 PolarHBondContact O-N 2.9Å; R345-G348 WeakPolarHBondContact O-CA 3.4Å; R345-G348 PolarHBondContact O-N 2.5Å
346A95.3Very high88.3Confident29 Ų2961.2 Ų61.224%0.2432%0.317CS..G310 helixtrans-57-37.4-175.500000113.4Y337 G348 L349Y337-A346 HydrophobicContact CE2-CB 3.86Å; A346-G348 VanDerWaalsContact C-N 3.25Å; A346-G348 PolarHBondContact O-N 3.48Å; A346-L349 WeakPolarHBondContact O-CB 3.06Å; A346-L349 WeakPolarHBondContact O-CG 3.43Å; A346-L349 PolarHBondContact O-N 3.06Å
347D93.8Very high85.2Confident139 Ų13967 Ų6774%0.74335%0.354SS*.G310 helixtrans-67.2-22.8175.658-9.2000113.6R345R345-D347 VanDerWaalsContact C-N 3.26Å; R345-D347 VanDerWaalsContact CB-OD1 3.3Å; R345-D347 WeakPolarHBondContact CB-OD1 3.38Å; R345-D347 PolarHBondContact O-N 2.9Å
348G93.3Very high82Confident18 Ų1875.9 Ų75.919%0.18640%0.396CS..G310 helixtrans-81.1-14.8175.600000114.5R345 A346 Q350 S351R345-G348 WeakPolarHBondContact O-CA 3.4Å; R345-G348 PolarHBondContact O-N 2.5Å; A346-G348 VanDerWaalsContact C-N 3.25Å; A346-G348 PolarHBondContact O-N 3.48Å; G348-Q350 VanDerWaalsContact C-N 3.26Å; G348-Q350 PolarHBondContact O-N 3.36Å; G348-S351 WeakPolarHBondContact O-CB 3.2Å; G348-S351 PolarHBondContact O-N 3.15Å; G348-S351 PolarHBondContact O-OG 3.09Å
349L93.8Very high79Confident0 Ų080.4 Ų80.40%043%0.433CS..G310 helixtrans-59.9-34.2-173.3-70.6173.2000113.2V250 F280 L285 Y337 A346 S351 L352V250-L349 HydrophobicContact CG1-CD1 4.06Å; F280-L349 HydrophobicContact CZ-CD2 3.94Å; L285-L349 HydrophobicContact CD2-CB 4.44Å; L285-L349 WeakPolarHBondContact CD2-O 3.27Å; Y337-L349 HydrophobicContact CD1-CD1 4.45Å; Y337-L349 HydrophobicContact CD1-CD2 4.23Å; Y337-L349 HydrophobicContact CD2-CD2 4.37Å; Y337-L349 HydrophobicContact CE1-CD1 4.31Å; Y337-L349 HydrophobicContact CE2-CD1 4.45Å; Y337-L349 HydrophobicContact CG-CD2 3.96Å; A346-L349 WeakPolarHBondContact O-CB 3.06Å; A346-L349 WeakPolarHBondContact O-CG 3.43Å; A346-L349 PolarHBondContact O-N 3.06Å; L349-S351 PolarHBondContact O-N 3.45Å; L349-L352 HydrophobicContact CD2-CD1 3.85Å; L349-L352 VanDerWaalsContact O-CB 3.29Å; L349-L352 WeakPolarHBondContact O-CB 3.12Å; L349-L352 PolarHBondContact O-N 3.25Å
350Q88.6Confident76.1Confident125 Ų12589.6 Ų89.658%0.58448%0.476SS*.G310 helixtrans-60.5-33.9178.3-163.881.635.300112.1G348 L352 L353G348-Q350 VanDerWaalsContact C-N 3.26Å; G348-Q350 PolarHBondContact O-N 3.36Å; Q350-L352 PolarHBondContact O-N 3.45Å; Q350-L353 PolarHBondContact O-N 3.17Å
351S89.7Confident73.2Confident88 Ų8891 Ų9162%0.61550%0.5SS*.G310 helixtrans-70.8-14.1179.474.40000113.4G348 L349 L353G348-S351 WeakPolarHBondContact O-CB 3.2Å; G348-S351 PolarHBondContact O-N 3.15Å; G348-S351 PolarHBondContact O-OG 3.09Å; L349-S351 PolarHBondContact O-N 3.45Å; S351-L353 VanDerWaalsContact C-N 3.32Å
352L87.2Confident70.3Confident9 Ų992.9 Ų92.95%0.04752%0.52CS..G310 helixtrans-81.4-13.8177.2-54.2-177.2000112.8T282 L285 T339 R341 L349 Q350T282-L352 HydrophobicContact CG2-CB 3.89Å; T282-L352 HydrophobicContact CG2-CD1 4.4Å; L285-L352 HydrophobicContact CD2-CB 4.47Å; T339-L352 HydrophobicContact CG2-CD1 3.75Å; R341-L352 HydrophobicContact CB-CD2 3.94Å; R341-L352 VanDerWaalsContact NH1-C 3.33Å; R341-L352 PolarHBondContact NH1-O 3.23Å; R341-L352 PolarHBondContact NH2-O 3.23Å; L349-L352 HydrophobicContact CD2-CD1 3.85Å; L349-L352 VanDerWaalsContact O-CB 3.29Å; L349-L352 WeakPolarHBondContact O-CB 3.12Å; L349-L352 PolarHBondContact O-N 3.25Å; Q350-L352 PolarHBondContact O-N 3.45Å
353L79.3Confident67.4Low28 Ų28101.6 Ų101.615%0.14756%0.556CS.*SBendtrans-70.1145176.7-58-179.1000109.8M252 L285 M287 Q350 S351 L355M252-L353 HydrophobicContact CE-CD1 3.81Å; M252-L353 HydrophobicContact SD-CD1 4.36Å; L285-L353 HydrophobicContact CD2-CD2 3.4Å; L285-L353 VanDerWaalsContact CD2-CD2 3.4Å; L285-L353 HydrophobicContact CD2-CG 4.15Å; L285-L353 HydrophobicContact CG-CD2 4Å; M287-L353 HydrophobicContact CE-CB 4.2Å; M287-L353 HydrophobicContact CE-CD1 4.5Å; M287-L353 HydrophobicContact CE-CD2 3.57Å; M287-L353 HydrophobicContact CE-CG 4.29Å; M287-L353 HydrophobicContact CG-CD1 3.93Å; M287-L353 HydrophobicContact CG-CD2 3.57Å; M287-L353 HydrophobicContact CG-CG 4.39Å; M287-L353 HydrophobicContact SD-CD1 4.5Å; M287-L353 HydrophobicContact SD-CD2 4.27Å; Q350-L353 PolarHBondContact O-N 3.17Å; S351-L353 VanDerWaalsContact C-N 3.32Å; L353-L355 PolarHBondContact O-N 2.95Å
354P68.6Low64.7Low81 Ų81103.3 Ų103.353%0.52657%0.572SS.*PPolyproline II helixtrans-55.6134.4165.622.4-30.5000109M287 Q356M287-P354 HydrophobicContact CE-CG 4.08Å; P354-Q356 PolarHBondContact O-N 3.17Å
355L49.2Very low62.1Low172 Ų172109.8 Ų109.890%0.90161%0.605SS**PPolyproline II helixtrans-52.9117.5173.8-69.3169.2000107.8L353L353-L355 PolarHBondContact O-N 2.95Å
356Q43.8Very low59.6Low160 Ų160107 Ų10775%0.74862%0.616SS**PPolyproline II helixtrans-63.9136.4169.2-70.8-174.6-14.500107.1P354 E358P354-Q356 PolarHBondContact O-N 3.17Å; Q356-E358 PolarHBondContact O-N 3.05Å; Q356-E358 VanDerWaalsContact O-N 3.1Å
357P34Very low57.1Low124 Ų124113.8 Ų113.881%0.80564%0.643SS**PPolyproline II helixtrans-53.9124.1166.9-14.125000107.1A359P357-A359 PolarHBondContact O-N 2.96Å
358E29.8Very low54.7Low187 Ų187111.9 Ų111.987%0.87465%0.647SS**PPolyproline II helixtrans-49.9118.2174.5-73.3-178.4163.400107.7Q356 E360Q356-E358 PolarHBondContact O-N 3.05Å; Q356-E358 VanDerWaalsContact O-N 3.1Å; E358-E360 PolarHBondContact O-N 2.62Å
359A36Very low52.3Low96 Ų96120 Ų12079%0.79368%0.677SS**  trans-59.1113.616900000106P357 G361P357-A359 PolarHBondContact O-N 2.96Å; A359-G361 PolarHBondContact O-N 3.3Å
360E36.2Very low50Low193 Ų193125.6 Ų125.690%0.90271%0.714SS**  trans-41.5109.3-177.4-76.5-177150.100109.5E358 N362E358-E360 PolarHBondContact O-N 2.62Å; E360-N362 PolarHBondContact O-N 3.41Å
361G36Very low48.3Very low65 Ų65131.2 Ų131.267%0.6775%0.747SS**  trans-54125.5-175.600000109.8A359 K363A359-G361 PolarHBondContact O-N 3.3Å; G361-K363 PolarHBondContact O-N 3.07Å
362N35Very low46.3Very low165 Ų165133.4 Ų133.488%0.88275%0.754SS**  trans-35.8106166.1-97.1-22.4000110.1E360E360-N362 PolarHBondContact O-N 3.41Å
363K35Very low44.1Very low189 Ų189139.9 Ų139.982%0.82279%0.791SS**PPolyproline II helixtrans-60.9125.3167.5-77.1-178178.5174.50107.3G361 N365G361-K363 PolarHBondContact O-N 3.07Å; K363-N365 PolarHBondContact O-N 3.23Å
364P40.2Very low42.2Very low122 Ų122146.1 Ų146.179%0.79283%0.827SS**PPolyproline II helixtrans-63130.2-179.124-30.7000109.4A366P364-A366 PolarHBondContact O-N 3.38Å; P364-A366 VanDerWaalsContact O-N 3.16Å
365N42Very low40.6Very low157 Ų157149.9 Ų149.984%0.8485%0.845SS**PPolyproline II helixtrans-50.5119.1175.4-78.1-30.9000109.5K363 E367K363-N365 PolarHBondContact O-N 3.23Å; N365-E367 PolarHBondContact O-N 3.08Å; N365-E367 VanDerWaalsContact O-N 3.11Å
366A43.7Very low40.1Very low99 Ų99148.6 Ų148.682%0.81884%0.841SS**  trans-60.7113.8172.300000108.8P364 A368P364-A366 PolarHBondContact O-N 3.38Å; P364-A366 VanDerWaalsContact O-N 3.16Å; A366-A368 PolarHBondContact O-N 3.41Å
367E43Very low39.8Very low173 Ų173147.8 Ų147.881%0.80885%0.847SS**  trans-58.8121172-69.1179.1156.900109.2N365 F369N365-E367 PolarHBondContact O-N 3.08Å; N365-E367 VanDerWaalsContact O-N 3.11Å; E367-F369 PolarHBondContact O-N 2.53Å
368A45Very low40.2Very low99 Ų99149.5 Ų149.582%0.81885%0.85SS**  trans-69.6110.8173.200000108.7A366A366-A368 PolarHBondContact O-N 3.41Å
369F41.2Very low41Very low187 Ų187146.6 Ų146.682%0.8285%0.849SS**  trans-64.5130.5170-77.8-87.1000110E367E367-F369 PolarHBondContact O-N 2.53Å
370P46.5Very low41.5Very low119 Ų119150.8 Ų150.877%0.77385%0.853SS**  trans-78.6132176.731.7-30.4000109.7
371N53.6Low41.9Very low242 Ų242147 Ų147100%1.29485%0.849SS**  trans-106.60156.8-83.8-23000108.8

Retrieved 371 of 371 residues in 184 ms (Link to these results)

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