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tRNA-specific 2-thiouridylase MnmA

Catalyzes the 2-thiolation of uridine at the wobble position (U34) of tRNA, leading to the formation of s(2)U34.

AlphaFold DB (Q2FXV6), UniProt , Accession Q99TM8, Species STAAN (Staphylococcus aureus (strain N315)), Gene mnmA, Length 372 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
1M71.6Confident94.6Very high207 Ų20761.5 Ų61.5100%1.0231%0.305SS*.  0142.20-76.4171-11500107.4
2S90.8Very high94.9Very high52 Ų5256.4 Ų56.436%0.36428%0.28SS..  trans-87157.1171.860.90000109.5K4 D5S2-K4 PolarHBondContact O-N 3.49Å; S2-K4 VanDerWaalsContact O-N 3.11Å; S2-K4 WeakPolarHBondContact OG-CE 3.46Å; S2-K4 WeakPolarHBondContact OG-CG 3.46Å; S2-D5 PolarHBondContact N-OD2 2.8Å; S2-D5 WeakPolarHBondContact O-CB 3.4Å; S2-D5 PolarHBondContact O-N 3.28Å; S2-D5 PolarHBondContact OG-OD2 3.09Å
3N96.3Very high94.8Very high60 Ų6057.4 Ų57.432%0.32130%0.296SS..G310 helixtrans-55.6-32.6-178.1-71.1-4000112.5D5 I6 Q28 G29 Y30N3-D5 PolarHBondContact O-N 2.94Å; N3-D5 VanDerWaalsContact O-N 3.12Å; N3-I6 WeakPolarHBondContact O-CB 3.36Å; N3-I6 PolarHBondContact O-N 3.49Å; N3-Q28 WeakPolarHBondContact CB-O 3.31Å; N3-Q28 PolarHBondContact ND2-O 3.44Å; N3-G29 CarbonylContact C-O 3.53Å; N3-Y30 HydrophobicContact CB-CD1 3.95Å; N3-Y30 HydrophobicContact CB-CD2 4.32Å; N3-Y30 HydrophobicContact CB-CE1 3.99Å; N3-Y30 HydrophobicContact CB-CE2 4.36Å; N3-Y30 HydrophobicContact CB-CG 4.12Å; N3-Y30 WeakPolarHBondContact O-CA 3.43Å
4K95.2Very high94.8Very high148 Ų14853.4 Ų53.464%0.64328%0.276SS*.G310 helixtrans-63-18.7177.760.4159.4-1691780114.5S2 I6 G29S2-K4 PolarHBondContact O-N 3.49Å; S2-K4 VanDerWaalsContact O-N 3.11Å; S2-K4 WeakPolarHBondContact OG-CE 3.46Å; S2-K4 WeakPolarHBondContact OG-CG 3.46Å; K4-I6 VanDerWaalsContact C-N 3.34Å; K4-G29 WeakPolarHBondContact CA-O 3.25Å; K4-G29 PolarHBondContact N-O 3.43Å
5D96.2Very high94.8Very high89 Ų8950.9 Ų50.948%0.47627%0.269SS..G310 helixtrans-93-1.4178-46.6-52.4000111.4S2 N3S2-D5 PolarHBondContact N-OD2 2.8Å; S2-D5 WeakPolarHBondContact O-CB 3.4Å; S2-D5 PolarHBondContact O-N 3.28Å; S2-D5 PolarHBondContact OG-OD2 3.09Å; N3-D5 PolarHBondContact O-N 2.94Å; N3-D5 VanDerWaalsContact O-N 3.12Å
6I98.1Very high95Very high28 Ų2848 Ų4814%0.14425%0.254CS..SBendtrans-109.1116-178.9-58.6173.9000108N3 K4 V8 Y30 D31 D121 Y122N3-I6 WeakPolarHBondContact O-CB 3.36Å; N3-I6 PolarHBondContact O-N 3.49Å; K4-I6 VanDerWaalsContact C-N 3.34Å; I6-V8 HydrophobicContact CG2-CG2 4.36Å; I6-Y30 HydrophobicContact CB-CD1 3.85Å; I6-Y30 HydrophobicContact CB-CE1 4.02Å; I6-Y30 HydrophobicContact CD1-CE1 4.17Å; I6-Y30 HydrophobicContact CG2-CD1 3.9Å; I6-Y30 HydrophobicContact CG2-CE1 3.89Å; I6-D31 PolarHBondContact O-N 2.91Å; I6-D31 VanDerWaalsContact O-N 3.09Å; I6-D121 WeakPolarHBondContact CA-OD2 3.42Å; I6-D121 HydrophobicContact CG2-CB 3.83Å; I6-Y122 HydrophobicContact CG2-CD2 3.65Å; I6-Y122 HydrophobicContact CG2-CE2 3.77Å
7R98.4Very high95.2Very high85 Ų8547 Ų4732%0.32125%0.248SC..EExtended strand (participates in β ladder)trans-87.5125.4178.9179.7168.7-70.9165.24.4111.4D31 I33 A120 D121 Y122R7-D31 CarbonylContact C-O 3.54Å; R7-D31 VanDerWaalsContact CA-O 3.3Å; R7-D31 WeakPolarHBondContact CA-O 3.41Å; R7-D31 HydrophobicContact CB-CB 4.41Å; R7-D31 IonicContact CZ-OD2 2.63Å; R7-D31 VanDerWaalsContact CZ-OD2 3.24Å; R7-D31 IonicContact NE-OD2 2.73Å; R7-D31 PolarHBondContact NE-OD2 3.29Å; R7-D31 IonicContact NH2-OD2 2.79Å; R7-D31 PolarHBondContact NH2-OD2 3.47Å; R7-I33 HydrophobicContact CG-CD1 4.32Å; R7-A120 HydrophobicContact CG-CB 4.44Å; R7-D121 PolarHBondContact N-OD2 3.01Å; R7-D121 PolarHBondContact O-N 2.97Å; R7-Y122 PolarHBondContact O-N 2.95Å
8V98.7Very high95.3Very high0 Ų044.6 Ų44.60%024%0.236CC..EExtended strand (participates in β ladder)trans-119.8119.1178-170.90000110.1I6 L25 Y30 D31 V32 I33 Y122 A124 M167I6-V8 HydrophobicContact CG2-CG2 4.36Å; V8-L25 HydrophobicContact CB-CD1 4.39Å; V8-L25 HydrophobicContact CG1-CD1 3.69Å; V8-Y30 HydrophobicContact CG2-CD1 3.66Å; V8-Y30 HydrophobicContact CG2-CE1 4.31Å; V8-Y30 HydrophobicContact CG2-CG 3.94Å; V8-D31 PolarHBondContact N-O 3.37Å; V8-V32 WeakPolarHBondContact O-CA 3.38Å; V8-I33 PolarHBondContact O-N 3Å; V8-Y122 WeakPolarHBondContact CA-O 3.32Å; V8-A124 HydrophobicContact CG1-CB 3.72Å; V8-M167 HydrophobicContact CG1-SD 4.08Å; V8-M167 HydrophobicContact CG2-SD 3.91Å
9V98.7Very high95.5Very high0 Ų042.3 Ų42.30%022%0.224CC..EExtended strand (participates in β ladder)trans-94.5116.1175.6176.10000109.3I33 I35 F111 A115 A120 Y122 V123 A124V9-I33 CarbonylContact C-O 3.58Å; V9-I33 WeakPolarHBondContact CA-O 3.41Å; V9-I33 HydrophobicContact CG2-CB 4.29Å; V9-I35 HydrophobicContact CG1-CB 4.2Å; V9-I35 HydrophobicContact CG1-CD1 3.42Å; V9-I35 VanDerWaalsContact CG1-CD1 3.42Å; V9-I35 HydrophobicContact CG1-CG1 3.68Å; V9-F111 HydrophobicContact CG1-CE2 3.88Å; V9-F111 HydrophobicContact CG1-CZ 3.72Å; V9-A115 HydrophobicContact CB-CB 3.84Å; V9-A115 HydrophobicContact CG1-CB 3.92Å; V9-A115 HydrophobicContact CG2-CB 4.09Å; V9-A120 HydrophobicContact CB-CB 4.18Å; V9-A120 HydrophobicContact CG2-CB 3.49Å; V9-A120 VanDerWaalsContact CG2-CB 3.49Å; V9-Y122 PolarHBondContact N-O 2.78Å; V9-V123 CarbonylContact O-C 3.19Å; V9-V123 VanDerWaalsContact O-CA 3.25Å; V9-V123 WeakPolarHBondContact O-CA 3.41Å; V9-A124 PolarHBondContact O-N 3.07Å
10V98.7Very high95.6Very high0 Ų040.2 Ų40.20%021%0.213CC..EExtended strand (participates in β ladder)trans-95.3121.9-177.6-173.30000109.6M12 T21 A22 L25 V32 I33 I35 A124V10-M12 HydrophobicContact CB-CG 4.25Å; V10-M12 HydrophobicContact CG1-CG 3.92Å; V10-M12 PolarHBondContact O-N 3.34Å; V10-T21 HydrophobicContact CG1-CG2 3.78Å; V10-A22 HydrophobicContact CB-CB 4.47Å; V10-A22 HydrophobicContact CG1-CB 4.22Å; V10-A22 HydrophobicContact CG2-CB 4.33Å; V10-L25 HydrophobicContact CG2-CD1 3.66Å; V10-V32 HydrophobicContact CG2-CG1 3.6Å; V10-I33 PolarHBondContact N-O 2.95Å; V10-I35 PolarHBondContact O-N 2.65Å; V10-A124 CarbonylContact C-O 3.53Å; V10-A124 WeakPolarHBondContact CA-O 3.22Å; V10-A124 HydrophobicContact CG2-CB 4.16Å
11G98.3Very high95.8Very high7 Ų738.2 Ų38.27%0.07220%0.202CC..EExtended strand (participates in β ladder)trans-70109.1168.400000109.7S18 A124G11-S18 WeakPolarHBondContact O-CB 3.37Å; G11-A124 PolarHBondContact N-O 3.2Å
12M97.8Very high97.1Very high1 Ų128.4 Ų28.41%0.00515%0.154CC..  trans-108121.8-176.9-64.3-173.370.300110.6V10 A22 I35 F36 V58 V61 C62 I67V10-M12 HydrophobicContact CB-CG 4.25Å; V10-M12 HydrophobicContact CG1-CG 3.92Å; V10-M12 PolarHBondContact O-N 3.34Å; M12-A22 HydrophobicContact CE-CB 4.2Å; M12-A22 HydrophobicContact SD-CB 4.07Å; M12-I35 PolarHBondContact N-O 3.29Å; M12-F36 WeakPolarHBondContact O-CA 3.12Å; M12-F36 WeakPolarHBondContact O-CD2 3.27Å; M12-V58 HydrophobicContact CB-CG1 3.94Å; M12-V58 HydrophobicContact CB-CG2 3.79Å; M12-V58 HydrophobicContact CE-CG1 4.37Å; M12-V58 HydrophobicContact SD-CG1 4.25Å; M12-V61 HydrophobicContact CE-CB 4.16Å; M12-V61 HydrophobicContact CE-CG1 3.65Å; M12-C62 PolarHBondContact SD-SG 3.3Å; M12-I67 HydrophobicContact SD-CD1 4.3Å
13S94.1Very high97.4Very high69 Ų6926.7 Ų26.748%0.48314%0.14SC..  trans-104.58.3-175.4740000113.5G15 S18S13-G15 PolarHBondContact O-N 3.45Å; S13-G15 PolarHBondContact OG-N 3.46Å; S13-S18 PolarHBondContact N-OG 2.98Å
14G94Very high97.5Very high1 Ų125 Ų251%0.0113%0.132CC..SBendtrans73.29.8-168.600000113.8D54 V58 T189 K192G14-D54 WeakPolarHBondContact CA-O 3.15Å; G14-V58 VanDerWaalsContact N-CG2 3.31Å; G14-T189 WeakPolarHBondContact O-CG2 3.42Å; G14-K192 VanDerWaalsContact O-CD 3.31Å; G14-K192 WeakPolarHBondContact O-CD 3.48Å; G14-K192 PolarHBondContact O-NZ 2.95Å
15G95.5Very high97.7Very high17 Ų1717.9 Ų17.918%0.17510%0.101CC..SBendtrans-102.6152.9178.100000112.9S13 D17 S18 S19S13-G15 PolarHBondContact O-N 3.45Å; S13-G15 PolarHBondContact OG-N 3.46Å; G15-D17 PolarHBondContact O-N 2.86Å; G15-D17 VanDerWaalsContact O-N 3.14Å; G15-S18 PolarHBondContact O-N 2.82Å; G15-S18 VanDerWaalsContact O-N 3.16Å; G15-S18 PolarHBondContact O-OG 3Å; G15-S19 PolarHBondContact O-N 3.16Å; G15-S19 VanDerWaalsContact O-N 3.14Å; G15-S19 PolarHBondContact O-OG 3.46Å
16V97.5Very high97.8Very high4 Ų417.5 Ų17.52%0.02410%0.095CC..Hα-helixtrans-54.3-36.1-175.868.10000113.8S19 V20 A182V16-S19 WeakPolarHBondContact O-CB 3.4Å; V16-S19 PolarHBondContact O-N 3.16Å; V16-V20 HydrophobicContact CG2-CG2 4.36Å; V16-V20 WeakPolarHBondContact O-CG2 3.45Å; V16-V20 PolarHBondContact O-N 2.84Å; V16-A182 HydrophobicContact CG2-CB 3.47Å; V16-A182 VanDerWaalsContact CG2-CB 3.47Å
17D97.8Very high97.7Very high31 Ų3122.9 Ų22.917%0.16612%0.119CC..Hα-helixtrans-65.9-44-176.8-61.1-23.7000111.2G15 T21 Y128 I170 K175G15-D17 PolarHBondContact O-N 2.86Å; G15-D17 VanDerWaalsContact O-N 3.14Å; D17-T21 WeakPolarHBondContact O-CB 3.48Å; D17-T21 PolarHBondContact O-N 3.17Å; D17-T21 PolarHBondContact O-OG1 3Å; D17-Y128 HydrophobicContact CB-CE2 4.46Å; D17-Y128 PolarHBondContact OD1-OH 2.95Å; D17-I170 HydrophobicContact CB-CD1 3.76Å; D17-K175 IonicContact OD1-NZ 2.62Å; D17-K175 PolarHBondContact OD1-NZ 2.8Å; D17-K175 IonicContact OD2-NZ 2.65Å; D17-K175 PolarHBondContact OD2-NZ 3.31Å
18S97.9Very high97.7Very high4 Ų423.2 Ų23.23%0.02813%0.125CC..Hα-helixtrans-70.6-31.6175.161.90000113G11 S13 G15 T21 A22G11-S18 WeakPolarHBondContact O-CB 3.37Å; S13-S18 PolarHBondContact N-OG 2.98Å; G15-S18 PolarHBondContact O-N 2.82Å; G15-S18 VanDerWaalsContact O-N 3.16Å; G15-S18 PolarHBondContact O-OG 3Å; S18-T21 WeakPolarHBondContact O-CB 3.29Å; S18-T21 PolarHBondContact O-N 3.41Å; S18-A22 PolarHBondContact O-N 3.27Å
19S98.4Very high97.6Very high0 Ų024.9 Ų24.90%014%0.142CC..Hα-helixtrans-64.6-48.7175.4-51.20000111.5G15 V16 T21 A22 H23 T189G15-S19 PolarHBondContact O-N 3.16Å; G15-S19 VanDerWaalsContact O-N 3.14Å; G15-S19 PolarHBondContact O-OG 3.46Å; V16-S19 WeakPolarHBondContact O-CB 3.4Å; V16-S19 PolarHBondContact O-N 3.16Å; S19-T21 VanDerWaalsContact C-N 3.34Å; S19-A22 PolarHBondContact O-N 3.42Å; S19-H23 PolarHBondContact O-N 3.27Å; S19-T189 VanDerWaalsContact CB-OG1 3.26Å; S19-T189 WeakPolarHBondContact CB-OG1 3.27Å; S19-T189 PolarHBondContact OG-OG1 2.97Å
20V98.4Very high97.6Very high0 Ų026.8 Ų26.80%015%0.15CC..Hα-helixtrans-67.3-37176.1175.90000111.2V16 A22 H23 V24 I170 V178 I181 A182 L187V16-V20 HydrophobicContact CG2-CG2 4.36Å; V16-V20 WeakPolarHBondContact O-CG2 3.45Å; V16-V20 PolarHBondContact O-N 2.84Å; V20-A22 VanDerWaalsContact C-N 3.33Å; V20-A22 PolarHBondContact O-N 3.19Å; V20-H23 PolarHBondContact O-N 3.49Å; V20-V24 HydrophobicContact CG1-CG2 3.96Å; V20-V24 WeakPolarHBondContact O-CB 3.32Å; V20-V24 VanDerWaalsContact O-CG2 3.3Å; V20-V24 WeakPolarHBondContact O-CG2 3.47Å; V20-V24 PolarHBondContact O-N 3.3Å; V20-I170 HydrophobicContact CG1-CG2 4.19Å; V20-V178 HydrophobicContact CB-CG1 3.88Å; V20-V178 HydrophobicContact CG1-CG1 4.13Å; V20-V178 HydrophobicContact CG2-CG1 3.81Å; V20-V178 WeakPolarHBondContact CG2-O 3.46Å; V20-I181 HydrophobicContact CG1-CB 4.24Å; V20-I181 HydrophobicContact CG1-CD1 4.32Å; V20-I181 HydrophobicContact CG1-CG2 3.9Å; V20-I181 HydrophobicContact CG2-CG2 4.39Å; V20-A182 HydrophobicContact CG2-CB 3.71Å; V20-L187 HydrophobicContact CG2-CD1 4.31Å
21T98.7Very high97.6Very high0 Ų029.3 Ų29.30%016%0.163CC..Hα-helixtrans-54-49.6172.6-64.50000111.9V10 D17 S18 S19 L25 A124 G126 P169V10-T21 HydrophobicContact CG1-CG2 3.78Å; D17-T21 WeakPolarHBondContact O-CB 3.48Å; D17-T21 PolarHBondContact O-N 3.17Å; D17-T21 PolarHBondContact O-OG1 3Å; S18-T21 WeakPolarHBondContact O-CB 3.29Å; S18-T21 PolarHBondContact O-N 3.41Å; S19-T21 VanDerWaalsContact C-N 3.34Å; T21-L25 HydrophobicContact CG2-CD1 4.3Å; T21-L25 WeakPolarHBondContact O-CG 3.27Å; T21-L25 PolarHBondContact O-N 3.03Å; T21-A124 HydrophobicContact CG2-CB 4.14Å; T21-G126 VanDerWaalsContact OG1-CA 3.28Å; T21-G126 WeakPolarHBondContact OG1-CA 3.45Å; T21-P169 HydrophobicContact CG2-CB 4.28Å; T21-P169 HydrophobicContact CG2-CG 3.73Å
22A98.7Very high97.6Very high0 Ų029.1 Ų29.10%016%0.16CC..Hα-helixtrans-64.5-42.4178.400000112.1V10 M12 S18 S19 V20 K26 I65 I67V10-A22 HydrophobicContact CB-CB 4.47Å; V10-A22 HydrophobicContact CG1-CB 4.22Å; V10-A22 HydrophobicContact CG2-CB 4.33Å; M12-A22 HydrophobicContact CE-CB 4.2Å; M12-A22 HydrophobicContact SD-CB 4.07Å; S18-A22 PolarHBondContact O-N 3.27Å; S19-A22 PolarHBondContact O-N 3.42Å; V20-A22 VanDerWaalsContact C-N 3.33Å; V20-A22 PolarHBondContact O-N 3.19Å; A22-K26 WeakPolarHBondContact O-CB 3.46Å; A22-K26 PolarHBondContact O-N 3.08Å; A22-I65 HydrophobicContact CB-CD1 3.67Å; A22-I67 HydrophobicContact CB-CD1 4.03Å
23H98.4Very high97.6Very high17 Ų1729.7 Ų29.78%0.07916%0.163CC..Hα-helixtrans-61.3-48.6176.8174.170000112.5S19 V20 L25 K26 E27 I65 Q185S19-H23 PolarHBondContact O-N 3.27Å; V20-H23 PolarHBondContact O-N 3.49Å; H23-L25 VanDerWaalsContact C-N 3.33Å; H23-L25 PolarHBondContact O-N 3.04Å; H23-K26 WeakPolarHBondContact O-CB 3.41Å; H23-K26 PolarHBondContact O-N 3.39Å; H23-K26 VanDerWaalsContact O-N 3.12Å; H23-E27 VanDerWaalsContact CE1-CG 3.49Å; H23-E27 WeakPolarHBondContact CE1-CG 3.44Å; H23-E27 PolarHBondContact O-N 2.93Å; H23-I65 HydrophobicContact CB-CG2 4.29Å; H23-Q185 VanDerWaalsContact CE1-CD 3.44Å; H23-Q185 PolarHBondContact CE1-OE1 3.07Å; H23-Q185 WeakPolarHBondContact NE2-CG 3.36Å
24V98.1Very high97.9Very high23 Ų2326.4 Ų26.414%0.13914%0.14CC..Hα-helixtrans-59.4-44-180168.40000111.3V20 K26 E27 Q28 P169V20-V24 HydrophobicContact CG1-CG2 3.96Å; V20-V24 WeakPolarHBondContact O-CB 3.32Å; V20-V24 VanDerWaalsContact O-CG2 3.3Å; V20-V24 WeakPolarHBondContact O-CG2 3.47Å; V20-V24 PolarHBondContact O-N 3.3Å; V24-K26 VanDerWaalsContact C-N 3.33Å; V24-K26 PolarHBondContact O-N 3.19Å; V24-E27 PolarHBondContact O-N 3.35Å; V24-Q28 VanDerWaalsContact O-CG 3.26Å; V24-Q28 WeakPolarHBondContact O-CG 3.09Å; V24-Q28 PolarHBondContact O-N 3.4Å; V24-P169 HydrophobicContact CB-CB 4.43Å; V24-P169 HydrophobicContact CG1-CB 4.07Å
25L98.6Very high98.1Very high0 Ų026.4 Ų26.40%014%0.14CC..Hα-helixtrans-65.8-37.2177.1-72.5167.6000112.3V8 V10 T21 H23 Q28 G29 Y30 V32 A124 M167 P169V8-L25 HydrophobicContact CB-CD1 4.39Å; V8-L25 HydrophobicContact CG1-CD1 3.69Å; V10-L25 HydrophobicContact CG2-CD1 3.66Å; T21-L25 HydrophobicContact CG2-CD1 4.3Å; T21-L25 WeakPolarHBondContact O-CG 3.27Å; T21-L25 PolarHBondContact O-N 3.03Å; H23-L25 VanDerWaalsContact C-N 3.33Å; H23-L25 PolarHBondContact O-N 3.04Å; L25-Q28 PolarHBondContact O-N 3.45Å; L25-G29 PolarHBondContact O-N 2.97Å; L25-Y30 HydrophobicContact CB-CD2 4.35Å; L25-Y30 HydrophobicContact CD2-CD2 3.76Å; L25-Y30 HydrophobicContact CD2-CE2 3.97Å; L25-Y30 HydrophobicContact CD2-CG 4.43Å; L25-Y30 WeakPolarHBondContact O-CD2 3.33Å; L25-Y30 PolarHBondContact O-N 3.12Å; L25-V32 HydrophobicContact CB-CG2 3.69Å; L25-A124 HydrophobicContact CD1-CB 3.56Å; L25-M167 HydrophobicContact CD2-CE 3.6Å; L25-M167 HydrophobicContact CD2-SD 4.2Å; L25-P169 HydrophobicContact CD1-CG 3.74Å; L25-P169 HydrophobicContact CD2-CG 3.8Å; L25-P169 HydrophobicContact CG-CB 4.29Å; L25-P169 HydrophobicContact CG-CG 3.63Å
26K98.2Very high98.2Very high81 Ų8126.2 Ų26.235%0.35213%0.134SC..Hα-helixtrans-63.6-46.1176.3178.162.3174.9-162.50111.3A22 H23 V24 Q28 G29 V32 G66 I67A22-K26 WeakPolarHBondContact O-CB 3.46Å; A22-K26 PolarHBondContact O-N 3.08Å; H23-K26 WeakPolarHBondContact O-CB 3.41Å; H23-K26 PolarHBondContact O-N 3.39Å; H23-K26 VanDerWaalsContact O-N 3.12Å; V24-K26 VanDerWaalsContact C-N 3.33Å; V24-K26 PolarHBondContact O-N 3.19Å; K26-Q28 VanDerWaalsContact C-N 3.29Å; K26-Q28 PolarHBondContact O-N 3.15Å; K26-G29 WeakPolarHBondContact O-CA 3.29Å; K26-G29 PolarHBondContact O-N 2.95Å; K26-V32 HydrophobicContact CB-CG2 4.39Å; K26-G66 PolarHBondContact NZ-O 2.78Å; K26-I67 HydrophobicContact CD-CG2 3.94Å; K26-I67 HydrophobicContact CG-CG2 4.37Å
27E97.3Very high98.1Very high140 Ų14027.4 Ų27.465%0.65414%0.14SC*.Hα-helixtrans-63.8-33.8177-73.5-61.5113.100112.5H23 V24 G29H23-E27 VanDerWaalsContact CE1-CG 3.49Å; H23-E27 WeakPolarHBondContact CE1-CG 3.44Å; H23-E27 PolarHBondContact O-N 2.93Å; V24-E27 PolarHBondContact O-N 3.35Å; E27-G29 PolarHBondContact O-N 2.95Å
28Q97.4Very high97.9Very high93 Ų9328.5 Ų28.544%0.43514%0.143SC..THydrogen-bonded Turntrans-70.7-6.5172.1-71.3172.7-400113.2N3 V24 L25 K26 Y30N3-Q28 WeakPolarHBondContact CB-O 3.31Å; N3-Q28 PolarHBondContact ND2-O 3.44Å; V24-Q28 VanDerWaalsContact O-CG 3.26Å; V24-Q28 WeakPolarHBondContact O-CG 3.09Å; V24-Q28 PolarHBondContact O-N 3.4Å; L25-Q28 PolarHBondContact O-N 3.45Å; K26-Q28 VanDerWaalsContact C-N 3.29Å; K26-Q28 PolarHBondContact O-N 3.15Å; Q28-Y30 HydrophobicContact CB-CD2 3.77Å; Q28-Y30 HydrophobicContact CB-CE2 3.76Å
29G97.9Very high97.7Very high35 Ų3529.1 Ų29.136%0.36115%0.146SC..THydrogen-bonded Turntrans86.919.1173.100000115.2N3 K4 L25 K26 E27N3-G29 CarbonylContact C-O 3.53Å; K4-G29 WeakPolarHBondContact CA-O 3.25Å; K4-G29 PolarHBondContact N-O 3.43Å; L25-G29 PolarHBondContact O-N 2.97Å; K26-G29 WeakPolarHBondContact O-CA 3.29Å; K26-G29 PolarHBondContact O-N 2.95Å; E27-G29 PolarHBondContact O-N 2.95Å
30Y98.6Very high97.2Very high40 Ų4030.8 Ų30.816%0.15715%0.152CC..  trans-72.5157.6175.3-70.3-82.2000112.9N3 I6 V8 L25 Q28 V32 M167N3-Y30 HydrophobicContact CB-CD1 3.95Å; N3-Y30 HydrophobicContact CB-CD2 4.32Å; N3-Y30 HydrophobicContact CB-CE1 3.99Å; N3-Y30 HydrophobicContact CB-CE2 4.36Å; N3-Y30 HydrophobicContact CB-CG 4.12Å; N3-Y30 WeakPolarHBondContact O-CA 3.43Å; I6-Y30 HydrophobicContact CB-CD1 3.85Å; I6-Y30 HydrophobicContact CB-CE1 4.02Å; I6-Y30 HydrophobicContact CD1-CE1 4.17Å; I6-Y30 HydrophobicContact CG2-CD1 3.9Å; I6-Y30 HydrophobicContact CG2-CE1 3.89Å; V8-Y30 HydrophobicContact CG2-CD1 3.66Å; V8-Y30 HydrophobicContact CG2-CE1 4.31Å; V8-Y30 HydrophobicContact CG2-CG 3.94Å; L25-Y30 HydrophobicContact CB-CD2 4.35Å; L25-Y30 HydrophobicContact CD2-CD2 3.76Å; L25-Y30 HydrophobicContact CD2-CE2 3.97Å; L25-Y30 HydrophobicContact CD2-CG 4.43Å; L25-Y30 WeakPolarHBondContact O-CD2 3.33Å; L25-Y30 PolarHBondContact O-N 3.12Å; Q28-Y30 HydrophobicContact CB-CD2 3.77Å; Q28-Y30 HydrophobicContact CB-CE2 3.76Å; Y30-V32 PolarHBondContact O-N 2.88Å; Y30-M167 HydrophobicContact CE2-CE 4.18Å
31D98.1Very high96.4Very high53 Ų5334.8 Ų34.828%0.28317%0.174SC..EExtended strand (participates in β ladder)trans-79.292.7164.417924.8000109I6 R7 V8I6-D31 PolarHBondContact O-N 2.91Å; I6-D31 VanDerWaalsContact O-N 3.09Å; R7-D31 CarbonylContact C-O 3.54Å; R7-D31 VanDerWaalsContact CA-O 3.3Å; R7-D31 WeakPolarHBondContact CA-O 3.41Å; R7-D31 HydrophobicContact CB-CB 4.41Å; R7-D31 IonicContact CZ-OD2 2.63Å; R7-D31 VanDerWaalsContact CZ-OD2 3.24Å; R7-D31 IonicContact NE-OD2 2.73Å; R7-D31 PolarHBondContact NE-OD2 3.29Å; R7-D31 IonicContact NH2-OD2 2.79Å; R7-D31 PolarHBondContact NH2-OD2 3.47Å; V8-D31 PolarHBondContact N-O 3.37Å
32V98.6Very high95.4Very high2 Ų236 Ų361%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-95.3132.8-171.4-174.10000111.2V8 V10 L25 K26 Y30 I67 P68V8-V32 WeakPolarHBondContact O-CA 3.38Å; V10-V32 HydrophobicContact CG2-CG1 3.6Å; L25-V32 HydrophobicContact CB-CG2 3.69Å; K26-V32 HydrophobicContact CB-CG2 4.39Å; Y30-V32 PolarHBondContact O-N 2.88Å; V32-I67 HydrophobicContact CB-CG2 3.96Å; V32-I67 HydrophobicContact CG1-CD1 3.76Å; V32-I67 HydrophobicContact CG1-CG2 4.29Å; V32-P68 WeakPolarHBondContact O-CD 3.42Å
33I98.4Very high94.3Very high14 Ų1439.2 Ų39.27%0.07220%0.2CC..EExtended strand (participates in β ladder)trans-124.5129.5171.3-54.8-174.6000109.1R7 V8 V9 V10 I35 P68 Y70R7-I33 HydrophobicContact CG-CD1 4.32Å; V8-I33 PolarHBondContact O-N 3Å; V9-I33 CarbonylContact C-O 3.58Å; V9-I33 WeakPolarHBondContact CA-O 3.41Å; V9-I33 HydrophobicContact CG2-CB 4.29Å; V10-I33 PolarHBondContact N-O 2.95Å; I33-I35 HydrophobicContact CG2-CG1 4.41Å; I33-P68 HydrophobicContact CB-CG 4.33Å; I33-P68 HydrophobicContact CG1-CG 3.88Å; I33-P68 HydrophobicContact CG2-CG 4.3Å; I33-Y70 HydrophobicContact CG2-CD2 3.58Å; I33-Y70 HydrophobicContact CG2-CE2 3.61Å
34G98.5Very high93.2Very high0 Ų041.3 Ų41.30%021%0.212CC..EExtended strand (participates in β ladder)trans-86.1135.5172.300000112P68 Y69 Y70G34-P68 PolarHBondContact N-O 3.03Å; G34-Y69 CarbonylContact O-C 3.51Å; G34-Y69 WeakPolarHBondContact O-CA 3.41Å; G34-Y70 PolarHBondContact O-N 3.38Å
35I98.3Very high91.9Very high0 Ų049.4 Ų49.40%025%0.248CC..EExtended strand (participates in β ladder)trans-129.3124.6170.8-65.4-171.8000110.2V9 V10 M12 I33 Y70 V72 F111 L118V9-I35 HydrophobicContact CG1-CB 4.2Å; V9-I35 HydrophobicContact CG1-CD1 3.42Å; V9-I35 VanDerWaalsContact CG1-CD1 3.42Å; V9-I35 HydrophobicContact CG1-CG1 3.68Å; V10-I35 PolarHBondContact O-N 2.65Å; M12-I35 PolarHBondContact N-O 3.29Å; I33-I35 HydrophobicContact CG2-CG1 4.41Å; I35-Y70 WeakPolarHBondContact CA-O 3.41Å; I35-V72 HydrophobicContact CG2-CB 4.42Å; I35-V72 HydrophobicContact CG2-CG1 3.66Å; I35-F111 HydrophobicContact CB-CE2 3.78Å; I35-F111 HydrophobicContact CB-CZ 4.42Å; I35-F111 HydrophobicContact CD1-CE2 4.24Å; I35-F111 HydrophobicContact CG1-CE2 4.49Å; I35-F111 HydrophobicContact CG2-CD2 4.37Å; I35-F111 HydrophobicContact CG2-CE2 3.8Å; I35-L118 HydrophobicContact CD1-CD1 3.68Å
36F97.7Very high90.5Very high14 Ų1455.4 Ų55.46%0.06128%0.28CS..EExtended strand (participates in β ladder)trans-89.2131.9168.8179.4-100.4000110.7M12 K38 A51 D54 Y55 V58 Y70 A71 V72M12-F36 WeakPolarHBondContact O-CA 3.12Å; M12-F36 WeakPolarHBondContact O-CD2 3.27Å; F36-K38 HydrophobicContact CE1-CB 4.17Å; F36-A51 HydrophobicContact CZ-CB 4.18Å; F36-A51 WeakPolarHBondContact CZ-O 3.02Å; F36-D54 HydrophobicContact CE2-CB 3.78Å; F36-D54 HydrophobicContact CZ-CB 4.17Å; F36-Y55 HydrophobicContact CB-CD2 3.58Å; F36-Y55 HydrophobicContact CB-CE2 3.96Å; F36-Y55 AromaticContact CD1-CD2 3.7Å; F36-Y55 HydrophobicContact CD1-CD2 3.7Å; F36-Y55 HydrophobicContact CD1-CG 4.12Å; F36-Y55 HydrophobicContact CD2-CD2 4.43Å; F36-Y55 AromaticContact CG-CD2 3.65Å; F36-Y55 HydrophobicContact CG-CD2 3.65Å; F36-Y55 HydrophobicContact CG-CE2 4.47Å; F36-Y55 HydrophobicContact CG-CG 4.39Å; F36-V58 HydrophobicContact CB-CG1 4.47Å; F36-V58 HydrophobicContact CB-CG2 4.42Å; F36-V58 HydrophobicContact CD2-CG2 3.96Å; F36-Y70 PolarHBondContact N-O 3.25Å; F36-A71 CarbonylContact O-C 3.5Å; F36-A71 WeakPolarHBondContact O-CA 3.47Å; F36-V72 PolarHBondContact O-N 2.6Å
37M96.2Very high88.9Confident28 Ų2854 Ų5414%0.13829%0.289CS..EExtended strand (participates in β ladder)trans-105.2111177.9-65.5172.6-80.600110N39 V72 F74 K107 F111M37-N39 PolarHBondContact O-N 3.24Å; M37-V72 WeakPolarHBondContact CA-O 3.22Å; M37-V72 HydrophobicContact CB-CG1 4.45Å; M37-V72 HydrophobicContact CG-CG1 3.88Å; M37-F74 HydrophobicContact CB-CD2 4.33Å; M37-F74 HydrophobicContact CG-CD2 4.04Å; M37-F74 HydrophobicContact CG-CE2 4.01Å; M37-F74 HydrophobicContact SD-CD2 4.32Å; M37-F74 HydrophobicContact SD-CE2 4.25Å; M37-K107 HydrophobicContact CE-CG 4.43Å; M37-F111 HydrophobicContact CE-CD1 4.44Å; M37-F111 HydrophobicContact CE-CG 4.36Å; M37-F111 HydrophobicContact CG-CD2 4.16Å; M37-F111 HydrophobicContact SD-CB 3.62Å; M37-F111 HydrophobicContact SD-CD1 4.27Å; M37-F111 HydrophobicContact SD-CD2 3.84Å; M37-F111 HydrophobicContact SD-CG 3.64Å
38K93.9Very high87.5Confident55 Ų5550.8 Ų50.824%0.23928%0.279CS..EExtended strand (participates in β ladder)trans-82.9103.4168-164.8-174.2-173.2-1350108.5F36 D41 A51 V72 N73 F74 E75F36-K38 HydrophobicContact CE1-CB 4.17Å; K38-D41 IonicContact NZ-OD1 3.27Å; K38-D41 IonicContact NZ-OD2 2.84Å; K38-A51 HydrophobicContact CG-CB 4.41Å; K38-V72 PolarHBondContact N-O 3.03Å; K38-N73 WeakPolarHBondContact O-CA 3.38Å; K38-N73 PolarHBondContact O-OD1 3.37Å; K38-F74 PolarHBondContact O-N 3.17Å; K38-E75 VanDerWaalsContact CD-OE1 3.25Å; K38-E75 WeakPolarHBondContact CD-OE1 3.32Å; K38-E75 WeakPolarHBondContact CE-OE1 3.47Å; K38-E75 IonicContact NZ-OE1 3.64Å; K38-E75 PolarHBondContact NZ-OE1 3.12Å; K38-E75 PolarHBondContact O-N 3.02Å
39N92.8Very high86.7Confident17 Ų1746.8 Ų46.89%0.09126%0.261CS..  trans-106.4-11.5-176-65.7-21000113.4M37 F74 Y78M37-N39 PolarHBondContact O-N 3.24Å; N39-F74 WeakPolarHBondContact OD1-CB 3.4Å; N39-Y78 HydrophobicContact CB-CD2 3.61Å; N39-Y78 HydrophobicContact CB-CE2 4.25Å; N39-Y78 HydrophobicContact CB-CG 3.98Å; N39-Y78 VanDerWaalsContact O-CB 3.32Å; N39-Y78 WeakPolarHBondContact O-CB 3.31Å
40W88.8Confident85.9Confident34 Ų3448.4 Ų48.413%0.12926%0.264CS..  trans-152.5142.4-178.1-165.8-97.5000109.4Y78 W79 F83 F200 F209W40-Y78 HydrophobicContact CE3-CD1 4.06Å; W40-Y78 HydrophobicContact CE3-CE1 4.33Å; W40-Y78 HydrophobicContact CZ3-CD1 4.48Å; W40-W79 AromaticContact CH2-CE3 3.79Å; W40-W79 HydrophobicContact CH2-CE3 3.79Å; W40-W79 AromaticContact CH2-CZ3 3.62Å; W40-W79 HydrophobicContact CH2-CZ3 3.62Å; W40-W79 AromaticContact CZ3-CE3 3.7Å; W40-W79 HydrophobicContact CZ3-CE3 3.7Å; W40-W79 HydrophobicContact CZ3-CZ3 4.05Å; W40-F83 AromaticContact CH2-CD1 3.81Å; W40-F83 HydrophobicContact CH2-CD1 3.81Å; W40-F83 AromaticContact CH2-CD2 3.86Å; W40-F83 HydrophobicContact CH2-CD2 3.86Å; W40-F83 AromaticContact CH2-CE1 3.77Å; W40-F83 HydrophobicContact CH2-CE1 3.77Å; W40-F83 AromaticContact CH2-CE2 3.85Å; W40-F83 HydrophobicContact CH2-CE2 3.85Å; W40-F83 AromaticContact CH2-CG 3.85Å; W40-F83 HydrophobicContact CH2-CG 3.85Å; W40-F83 AromaticContact CH2-CZ 3.8Å; W40-F83 HydrophobicContact CH2-CZ 3.8Å; W40-F83 HydrophobicContact CZ3-CB 4.09Å; W40-F83 HydrophobicContact CZ3-CD1 4Å; W40-F83 AromaticContact CZ3-CD2 3.92Å; W40-F83 HydrophobicContact CZ3-CD2 3.92Å; W40-F83 HydrophobicContact CZ3-CE1 4.43Å; W40-F83 HydrophobicContact CZ3-CE2 4.38Å; W40-F83 AromaticContact CZ3-CG 3.73Å; W40-F83 HydrophobicContact CZ3-CG 3.73Å; W40-F200 HydrophobicContact CB-CB 4.23Å; W40-F200 HydrophobicContact CD2-CB 3.45Å; W40-F200 VanDerWaalsContact CD2-CB 3.45Å; W40-F200 HydrophobicContact CE3-CB 3.85Å; W40-F200 HydrophobicContact CG-CB 3.61Å; W40-F200 HydrophobicContact CZ2-CB 4.31Å; W40-F200 HydrophobicContact CZ3-CB 4.41Å; W40-F209 HydrophobicContact CZ2-CE2 4.29Å; W40-F209 HydrophobicContact CZ2-CZ 4.24Å
41D81Confident85.3Confident85 Ų8547.2 Ų47.246%0.45526%0.262SS..  trans-98107170.6-167.5-1000108.9K38 T43K38-D41 IonicContact NZ-OD1 3.27Å; K38-D41 IonicContact NZ-OD2 2.84Å; D41-T43 WeakPolarHBondContact OD1-CB 3.34Å; D41-T43 PolarHBondContact OD1-N 3.41Å; D41-T43 PolarHBondContact OD1-OG1 3.04Å
42D77.2Confident84.9Confident24 Ų2448.4 Ų48.413%0.12827%0.272CS..  trans-107.623.5-179.3-148.534.8000113.5D44 K204D42-D44 PolarHBondContact O-N 3.02Å; D42-D44 VanDerWaalsContact O-N 3.16Å; D42-K204 WeakPolarHBondContact OD1-CE 3.49Å; D42-K204 IonicContact OD1-NZ 3.83Å; D42-K204 PolarHBondContact OD1-NZ 3.46Å; D42-K204 VanDerWaalsContact OD2-CE 3.26Å; D42-K204 WeakPolarHBondContact OD2-CE 3.34Å; D42-K204 IonicContact OD2-NZ 2.78Å; D42-K204 PolarHBondContact OD2-NZ 3.04Å
43T77.3Confident84.5Confident69 Ų6953.7 Ų53.742%0.42330%0.296SS..  trans-55.8119.6179.5-56.50000110.7D41D41-T43 WeakPolarHBondContact OD1-CB 3.34Å; D41-T43 PolarHBondContact OD1-N 3.41Å; D41-T43 PolarHBondContact OD1-OG1 3.04Å
44D74.8Confident84.3Confident61 Ų6154.9 Ų54.933%0.32630%0.303SS..  trans-78.9178.6-179.681-2.7000112.6D42 N46 G47 V48D42-D44 PolarHBondContact O-N 3.02Å; D42-D44 VanDerWaalsContact O-N 3.16Å; D44-N46 PolarHBondContact O-N 2.84Å; D44-N46 VanDerWaalsContact O-N 3.16Å; D44-N46 VanDerWaalsContact OD1-CA 3.29Å; D44-N46 WeakPolarHBondContact OD1-CA 3.42Å; D44-N46 WeakPolarHBondContact OD1-CB 3.3Å; D44-N46 PolarHBondContact OD1-N 2.9Å; D44-G47 PolarHBondContact O-N 2.71Å; D44-G47 PolarHBondContact OD1-N 2.92Å; D44-V48 PolarHBondContact N-O 2.89Å; D44-V48 PolarHBondContact OD1-N 2.88Å
45E70.5Confident84.1Confident193 Ų19357.9 Ų57.990%0.90232%0.315SS*.THydrogen-bonded Turntrans-62.5-18.4178.662.7-174.5175.500114.1
46N68.3Low84Confident125 Ų12561.7 Ų61.767%0.66834%0.335SS*.THydrogen-bonded Turntrans-94.40.2176.6-56.2-60.5000112.4D44 V48D44-N46 PolarHBondContact O-N 2.84Å; D44-N46 VanDerWaalsContact O-N 3.16Å; D44-N46 VanDerWaalsContact OD1-CA 3.29Å; D44-N46 WeakPolarHBondContact OD1-CA 3.42Å; D44-N46 WeakPolarHBondContact OD1-CB 3.3Å; D44-N46 PolarHBondContact OD1-N 2.9Å; N46-V48 VanDerWaalsContact C-N 3.31Å; N46-V48 HydrophobicContact CB-CG2 4.33Å
47G64.9Low84Confident52 Ų5262.5 Ų62.554%0.53634%0.34SS..SBendtrans78.910.7-176.200000114.1D44D44-G47 PolarHBondContact O-N 2.71Å; D44-G47 PolarHBondContact OD1-N 2.92Å
48V69.1Low84.1Confident72 Ų7261.2 Ų61.244%0.43633%0.334SS..  trans-82124.8176.4-1780000108.7D44 N46D44-V48 PolarHBondContact N-O 2.89Å; D44-V48 PolarHBondContact OD1-N 2.88Å; N46-V48 VanDerWaalsContact C-N 3.31Å; N46-V48 HydrophobicContact CB-CG2 4.33Å
49C79Confident84.3Confident10 Ų1060.3 Ų60.37%0.06833%0.331CS..  trans-120118-179.6-171.10000109.7A51 T52 E53C49-A51 PolarHBondContact O-N 2.79Å; C49-T52 WeakPolarHBondContact O-CB 3.05Å; C49-T52 PolarHBondContact O-N 2.99Å; C49-E53 PolarHBondContact O-N 3.21Å
50T82.6Confident84.5Confident69 Ų6964 Ų6442%0.42335%0.348SS..Hα-helixtrans-57.2-36.1177.150.30000112.1T52 E53 D54T50-T52 PolarHBondContact O-N 3.31Å; T50-E53 PolarHBondContact O-N 3.49Å; T50-E53 VanDerWaalsContact O-N 3.17Å; T50-D54 PolarHBondContact O-N 2.84Å
51A85.9Confident85Confident14 Ų1462.4 Ų62.412%0.11634%0.342CS..Hα-helixtrans-62.8-28.4176.100000113F36 K38 C49 Y55F36-A51 HydrophobicContact CZ-CB 4.18Å; F36-A51 WeakPolarHBondContact CZ-O 3.02Å; K38-A51 HydrophobicContact CG-CB 4.41Å; C49-A51 PolarHBondContact O-N 2.79Å; A51-Y55 VanDerWaalsContact O-CB 3.29Å; A51-Y55 WeakPolarHBondContact O-CB 3.29Å; A51-Y55 PolarHBondContact O-N 2.92Å
52T88.5Confident85.8Confident79 Ų7958.4 Ų58.449%0.48532%0.32SS..Hα-helixtrans-71.1-42.3174.9-58.20000111.2C49 T50 Y55 N56C49-T52 WeakPolarHBondContact O-CB 3.05Å; C49-T52 PolarHBondContact O-N 2.99Å; T50-T52 PolarHBondContact O-N 3.31Å; T52-Y55 PolarHBondContact O-N 2.82Å; T52-N56 VanDerWaalsContact O-CG 3.28Å; T52-N56 PolarHBondContact O-N 3.47Å; T52-N56 PolarHBondContact O-ND2 2.99Å
53E90.9Very high86.8Confident112 Ų11262 Ų6252%0.52334%0.339SS..Hα-helixtrans-64.9-46.6175.9-63.2-178.8168.100111.2C49 T50 Y55 N56 D57C49-E53 PolarHBondContact O-N 3.21Å; T50-E53 PolarHBondContact O-N 3.49Å; T50-E53 VanDerWaalsContact O-N 3.17Å; E53-Y55 VanDerWaalsContact C-N 3.28Å; E53-Y55 PolarHBondContact O-N 2.88Å; E53-N56 WeakPolarHBondContact O-CB 3.39Å; E53-N56 PolarHBondContact O-N 2.94Å; E53-N56 VanDerWaalsContact O-N 3.15Å; E53-D57 PolarHBondContact O-N 3.41Å
54D93.1Very high87.8Confident40 Ų4063.1 Ų63.121%0.21434%0.34CS..Hα-helixtrans-60.3-38.4176.4-73.4-23.8000112G14 F36 T50 D57 V58 K192G14-D54 WeakPolarHBondContact CA-O 3.15Å; F36-D54 HydrophobicContact CE2-CB 3.78Å; F36-D54 HydrophobicContact CZ-CB 4.17Å; T50-D54 PolarHBondContact O-N 2.84Å; D54-D57 PolarHBondContact O-N 3.39Å; D54-V58 WeakPolarHBondContact O-CG2 3.35Å; D54-V58 PolarHBondContact O-N 3.47Å; D54-V58 VanDerWaalsContact O-N 3.08Å; D54-K192 IonicContact OD1-NZ 3.96Å; D54-K192 PolarHBondContact OD1-NZ 3.09Å
55Y95.3Very high88.8Confident63 Ų6361.3 Ų61.325%0.24733%0.33CS..Hα-helixtrans-68.6-37.2176.5-174.6-127.3000112.6F36 A51 T52 E53 D57 V58 I59 A71F36-Y55 HydrophobicContact CB-CD2 3.58Å; F36-Y55 HydrophobicContact CB-CE2 3.96Å; F36-Y55 AromaticContact CD1-CD2 3.7Å; F36-Y55 HydrophobicContact CD1-CD2 3.7Å; F36-Y55 HydrophobicContact CD1-CG 4.12Å; F36-Y55 HydrophobicContact CD2-CD2 4.43Å; F36-Y55 AromaticContact CG-CD2 3.65Å; F36-Y55 HydrophobicContact CG-CD2 3.65Å; F36-Y55 HydrophobicContact CG-CE2 4.47Å; F36-Y55 HydrophobicContact CG-CG 4.39Å; A51-Y55 VanDerWaalsContact O-CB 3.29Å; A51-Y55 WeakPolarHBondContact O-CB 3.29Å; A51-Y55 PolarHBondContact O-N 2.92Å; T52-Y55 PolarHBondContact O-N 2.82Å; E53-Y55 VanDerWaalsContact C-N 3.28Å; E53-Y55 PolarHBondContact O-N 2.88Å; Y55-D57 VanDerWaalsContact C-N 3.33Å; Y55-D57 PolarHBondContact O-N 2.89Å; Y55-V58 HydrophobicContact CD2-CB 4.49Å; Y55-V58 WeakPolarHBondContact O-CB 3.36Å; Y55-V58 PolarHBondContact O-N 3.4Å; Y55-I59 HydrophobicContact CD1-CD1 3.83Å; Y55-I59 HydrophobicContact CE1-CD1 3.64Å; Y55-I59 HydrophobicContact CE1-CG1 4.31Å; Y55-I59 HydrophobicContact CE2-CD1 4.5Å; Y55-I59 HydrophobicContact CE2-CG1 4.33Å; Y55-I59 HydrophobicContact CG-CD1 4.36Å; Y55-I59 WeakPolarHBondContact O-CG1 3.45Å; Y55-I59 PolarHBondContact O-N 3.12Å; Y55-A71 HydrophobicContact CD2-CB 4.44Å; Y55-A71 HydrophobicContact CE2-CB 3.81Å
56N96.3Very high90.1Very high79 Ų7954.4 Ų54.442%0.42231%0.311SS..Hα-helixtrans-61.7-41.9173.2-70.3-27000111.4T52 E53 V58 I59 E60T52-N56 VanDerWaalsContact O-CG 3.28Å; T52-N56 PolarHBondContact O-N 3.47Å; T52-N56 PolarHBondContact O-ND2 2.99Å; E53-N56 WeakPolarHBondContact O-CB 3.39Å; E53-N56 PolarHBondContact O-N 2.94Å; E53-N56 VanDerWaalsContact O-N 3.15Å; N56-V58 VanDerWaalsContact C-N 3.31Å; N56-V58 PolarHBondContact O-N 3.09Å; N56-I59 WeakPolarHBondContact O-CB 3.44Å; N56-I59 PolarHBondContact O-N 3.11Å; N56-E60 PolarHBondContact O-N 2.66Å
57D96.8Very high91.6Very high32 Ų3249 Ų4917%0.17128%0.282CS..Hα-helixtrans-61.3-39.4174-75.9-30.8000112E53 D54 Y55 E60 V61 T189 K192E53-D57 PolarHBondContact O-N 3.41Å; D54-D57 PolarHBondContact O-N 3.39Å; Y55-D57 VanDerWaalsContact C-N 3.33Å; Y55-D57 PolarHBondContact O-N 2.89Å; D57-E60 PolarHBondContact O-N 3.31Å; D57-V61 WeakPolarHBondContact O-CB 3.5Å; D57-V61 VanDerWaalsContact O-CG2 3.27Å; D57-V61 WeakPolarHBondContact O-CG2 3.2Å; D57-V61 PolarHBondContact O-N 2.86Å; D57-T189 HydrophobicContact CB-CG2 3.92Å; D57-K192 WeakPolarHBondContact OD2-CD 3.48Å; D57-K192 WeakPolarHBondContact OD2-CE 3.44Å; D57-K192 IonicContact OD2-NZ 2.8Å; D57-K192 PolarHBondContact OD2-NZ 2.91Å
58V98Very high93.1Very high1 Ų149.1 Ų49.11%0.00627%0.273CS..Hα-helixtrans-61.4-47173.6172.90000111M12 G14 F36 D54 Y55 N56 E60 V61 C62M12-V58 HydrophobicContact CB-CG1 3.94Å; M12-V58 HydrophobicContact CB-CG2 3.79Å; M12-V58 HydrophobicContact CE-CG1 4.37Å; M12-V58 HydrophobicContact SD-CG1 4.25Å; G14-V58 VanDerWaalsContact N-CG2 3.31Å; F36-V58 HydrophobicContact CB-CG1 4.47Å; F36-V58 HydrophobicContact CB-CG2 4.42Å; F36-V58 HydrophobicContact CD2-CG2 3.96Å; D54-V58 WeakPolarHBondContact O-CG2 3.35Å; D54-V58 PolarHBondContact O-N 3.47Å; D54-V58 VanDerWaalsContact O-N 3.08Å; Y55-V58 HydrophobicContact CD2-CB 4.49Å; Y55-V58 WeakPolarHBondContact O-CB 3.36Å; Y55-V58 PolarHBondContact O-N 3.4Å; N56-V58 VanDerWaalsContact C-N 3.31Å; N56-V58 PolarHBondContact O-N 3.09Å; V58-E60 VanDerWaalsContact C-N 3.34Å; V58-E60 PolarHBondContact O-N 2.78Å; V58-V61 PolarHBondContact O-N 3.06Å; V58-C62 VanDerWaalsContact O-CB 3.31Å; V58-C62 WeakPolarHBondContact O-CB 3.46Å; V58-C62 PolarHBondContact O-N 3.06Å; V58-C62 PolarHBondContact O-SG 3.46Å
59I98.2Very high94.5Very high35 Ų3549.3 Ų49.318%0.17927%0.267CS..Hα-helixtrans-57-49.4178.1-69.2160.7000110.3Y55 N56 C62 N63 Y69Y55-I59 HydrophobicContact CD1-CD1 3.83Å; Y55-I59 HydrophobicContact CE1-CD1 3.64Å; Y55-I59 HydrophobicContact CE1-CG1 4.31Å; Y55-I59 HydrophobicContact CE2-CD1 4.5Å; Y55-I59 HydrophobicContact CE2-CG1 4.33Å; Y55-I59 HydrophobicContact CG-CD1 4.36Å; Y55-I59 WeakPolarHBondContact O-CG1 3.45Å; Y55-I59 PolarHBondContact O-N 3.12Å; N56-I59 WeakPolarHBondContact O-CB 3.44Å; N56-I59 PolarHBondContact O-N 3.11Å; I59-C62 PolarHBondContact O-N 3.2Å; I59-N63 WeakPolarHBondContact CG2-ND2 3.44Å; I59-N63 WeakPolarHBondContact O-CB 3.26Å; I59-N63 PolarHBondContact O-N 2.88Å; I59-N63 PolarHBondContact O-ND2 3.24Å; I59-N63 VanDerWaalsContact O-ND2 3.09Å; I59-Y69 HydrophobicContact CB-CE2 4.38Å; I59-Y69 HydrophobicContact CD1-CE2 4.44Å; I59-Y69 HydrophobicContact CG1-CD2 3.99Å; I59-Y69 HydrophobicContact CG1-CE2 3.59Å; I59-Y69 HydrophobicContact CG2-CE1 4.27Å; I59-Y69 HydrophobicContact CG2-CE2 4.33Å
60E98.1Very high95.4Very high96 Ų9655 Ų5545%0.44929%0.288SS..Hα-helixtrans-62.2-48.3-179.3-74.1-168.6-163.100111.8N56 D57 V58 C62 N63 Q64 V188N56-E60 PolarHBondContact O-N 2.66Å; D57-E60 PolarHBondContact O-N 3.31Å; V58-E60 VanDerWaalsContact C-N 3.34Å; V58-E60 PolarHBondContact O-N 2.78Å; E60-C62 PolarHBondContact O-N 3.05Å; E60-N63 PolarHBondContact O-N 2.96Å; E60-Q64 VanDerWaalsContact O-CG 3.27Å; E60-Q64 WeakPolarHBondContact O-CG 3.34Å; E60-Q64 PolarHBondContact O-N 2.65Å; E60-V188 HydrophobicContact CB-CG1 3.76Å; E60-V188 WeakPolarHBondContact OE2-CG2 3.31Å
61V98.4Very high96Very high0 Ų054.5 Ų54.50%029%0.29CS..Hα-helixtrans-60.4-47.2177.1170.80000111.3M12 D57 V58 N63 Q64 I65 V188 T189M12-V61 HydrophobicContact CE-CB 4.16Å; M12-V61 HydrophobicContact CE-CG1 3.65Å; D57-V61 WeakPolarHBondContact O-CB 3.5Å; D57-V61 VanDerWaalsContact O-CG2 3.27Å; D57-V61 WeakPolarHBondContact O-CG2 3.2Å; D57-V61 PolarHBondContact O-N 2.86Å; V58-V61 PolarHBondContact O-N 3.06Å; V61-N63 VanDerWaalsContact C-N 3.29Å; V61-N63 PolarHBondContact O-N 2.94Å; V61-Q64 WeakPolarHBondContact O-CB 3.49Å; V61-Q64 PolarHBondContact O-N 2.94Å; V61-Q64 VanDerWaalsContact O-N 3.12Å; V61-I65 HydrophobicContact CG1-CD1 4.23Å; V61-I65 WeakPolarHBondContact O-CG1 3.36Å; V61-I65 PolarHBondContact O-N 2.8Å; V61-V188 HydrophobicContact CG2-CG1 3.82Å; V61-T189 HydrophobicContact CG2-CG2 3.78Å
62C98.5Very high96.5Very high0 Ų054.8 Ų54.80%029%0.29CS..Hα-helixtrans-62.1-37.5-179.7-71.40000112.3M12 V58 I59 E60 G66 I67 Y69M12-C62 PolarHBondContact SD-SG 3.3Å; V58-C62 VanDerWaalsContact O-CB 3.31Å; V58-C62 WeakPolarHBondContact O-CB 3.46Å; V58-C62 PolarHBondContact O-N 3.06Å; V58-C62 PolarHBondContact O-SG 3.46Å; I59-C62 PolarHBondContact O-N 3.2Å; E60-C62 PolarHBondContact O-N 3.05Å; C62-G66 PolarHBondContact O-N 2.99Å; C62-I67 HydrophobicContact CB-CG1 3.9Å; C62-I67 PolarHBondContact O-N 3.1Å; C62-Y69 HydrophobicContact CB-CD1 3.51Å; C62-Y69 HydrophobicContact CB-CE1 4.43Å; C62-Y69 HydrophobicContact CB-CG 4.05Å
63N98.1Very high96.9Very high99 Ų9955 Ų5553%0.52929%0.288SS..Hα-helixtrans-66.4-41172.8-71.5-31.4000112I59 E60 V61 I65 G66I59-N63 WeakPolarHBondContact CG2-ND2 3.44Å; I59-N63 WeakPolarHBondContact O-CB 3.26Å; I59-N63 PolarHBondContact O-N 2.88Å; I59-N63 PolarHBondContact O-ND2 3.24Å; I59-N63 VanDerWaalsContact O-ND2 3.09Å; E60-N63 PolarHBondContact O-N 2.96Å; V61-N63 VanDerWaalsContact C-N 3.29Å; V61-N63 PolarHBondContact O-N 2.94Å; N63-I65 PolarHBondContact O-N 3.28Å; N63-G66 PolarHBondContact O-N 3.49Å
64Q97.8Very high97.1Very high94 Ų9450.2 Ų50.244%0.43927%0.266SS..Hα-helixtrans-61.7-41.4177.6-73.4178.4-45.700112.3E60 V61 G186 L187E60-Q64 VanDerWaalsContact O-CG 3.27Å; E60-Q64 WeakPolarHBondContact O-CG 3.34Å; E60-Q64 PolarHBondContact O-N 2.65Å; V61-Q64 WeakPolarHBondContact O-CB 3.49Å; V61-Q64 PolarHBondContact O-N 2.94Å; V61-Q64 VanDerWaalsContact O-N 3.12Å; Q64-G186 PolarHBondContact NE2-O 2.62Å; Q64-L187 HydrophobicContact CB-CD2 4.41Å
65I97Very high97.2Very high22 Ų2250.7 Ų50.711%0.11327%0.267CS..Hα-helixtrans-91.4-9.6-177.369.7-172.5000113.9A22 H23 V61 N63 I67 L187A22-I65 HydrophobicContact CB-CD1 3.67Å; H23-I65 HydrophobicContact CB-CG2 4.29Å; V61-I65 HydrophobicContact CG1-CD1 4.23Å; V61-I65 WeakPolarHBondContact O-CG1 3.36Å; V61-I65 PolarHBondContact O-N 2.8Å; N63-I65 PolarHBondContact O-N 3.28Å; I65-I67 HydrophobicContact CD1-CD1 3.47Å; I65-I67 VanDerWaalsContact CD1-CD1 3.47Å; I65-I67 HydrophobicContact CD1-CG1 3.66Å; I65-I67 HydrophobicContact CD1-CG2 4.31Å; I65-I67 HydrophobicContact CG1-CB 4.35Å; I65-I67 HydrophobicContact CG1-CD1 4.12Å; I65-I67 HydrophobicContact CG1-CG1 3.71Å; I65-I67 HydrophobicContact CG1-CG2 4.04Å; I65-L187 HydrophobicContact CG2-CD2 3.81Å
66G97.8Very high97.3Very high49 Ų4954.4 Ų54.451%0.50528%0.284SS..THydrogen-bonded Turntrans70.751.6178.700000113.8K26 C62 N63K26-G66 PolarHBondContact NZ-O 2.78Å; C62-G66 PolarHBondContact O-N 2.99Å; N63-G66 PolarHBondContact O-N 3.49Å
67I98.3Very high97.3Very high10 Ų1054.2 Ų54.25%0.05128%0.281CS..  trans-125149.2172.769.9170.7000111.3M12 A22 K26 V32 C62 I65M12-I67 HydrophobicContact SD-CD1 4.3Å; A22-I67 HydrophobicContact CB-CD1 4.03Å; K26-I67 HydrophobicContact CD-CG2 3.94Å; K26-I67 HydrophobicContact CG-CG2 4.37Å; V32-I67 HydrophobicContact CB-CG2 3.96Å; V32-I67 HydrophobicContact CG1-CD1 3.76Å; V32-I67 HydrophobicContact CG1-CG2 4.29Å; C62-I67 HydrophobicContact CB-CG1 3.9Å; C62-I67 PolarHBondContact O-N 3.1Å; I65-I67 HydrophobicContact CD1-CD1 3.47Å; I65-I67 VanDerWaalsContact CD1-CD1 3.47Å; I65-I67 HydrophobicContact CD1-CG1 3.66Å; I65-I67 HydrophobicContact CD1-CG2 4.31Å; I65-I67 HydrophobicContact CG1-CB 4.35Å; I65-I67 HydrophobicContact CG1-CD1 4.12Å; I65-I67 HydrophobicContact CG1-CG1 3.71Å; I65-I67 HydrophobicContact CG1-CG2 4.04Å
68P98.1Very high97.3Very high55 Ų5552.8 Ų52.836%0.35727%0.273SS..  trans-66.4152.3170.730.1-37.3000111.3V32 I33 G34 Y70V32-P68 WeakPolarHBondContact O-CD 3.42Å; I33-P68 HydrophobicContact CB-CG 4.33Å; I33-P68 HydrophobicContact CG1-CG 3.88Å; I33-P68 HydrophobicContact CG2-CG 4.3Å; G34-P68 PolarHBondContact N-O 3.03Å; P68-Y70 HydrophobicContact CB-CE2 4.31Å
69Y98Very high97.2Very high77 Ų7758.1 Ų58.130%0.30229%0.293SS..EExtended strand (participates in β ladder)trans-136.6149.3178.159-92.8000112G34 I59 C62G34-Y69 CarbonylContact O-C 3.51Å; G34-Y69 WeakPolarHBondContact O-CA 3.41Å; I59-Y69 HydrophobicContact CB-CE2 4.38Å; I59-Y69 HydrophobicContact CD1-CE2 4.44Å; I59-Y69 HydrophobicContact CG1-CD2 3.99Å; I59-Y69 HydrophobicContact CG1-CE2 3.59Å; I59-Y69 HydrophobicContact CG2-CE1 4.27Å; I59-Y69 HydrophobicContact CG2-CE2 4.33Å; C62-Y69 HydrophobicContact CB-CD1 3.51Å; C62-Y69 HydrophobicContact CB-CE1 4.43Å; C62-Y69 HydrophobicContact CB-CG 4.05Å
70Y97.4Very high97.1Very high130 Ų13060 Ų6051%0.5130%0.303SS..EExtended strand (participates in β ladder)trans-139.5168.6175.5-55.6-82.5000110.8I33 G34 I35 F36 P68I33-Y70 HydrophobicContact CG2-CD2 3.58Å; I33-Y70 HydrophobicContact CG2-CE2 3.61Å; G34-Y70 PolarHBondContact O-N 3.38Å; I35-Y70 WeakPolarHBondContact CA-O 3.41Å; F36-Y70 PolarHBondContact N-O 3.25Å; P68-Y70 HydrophobicContact CB-CE2 4.31Å
71A96.4Very high97.1Very high57 Ų5761 Ų6147%0.47131%0.307SS..EExtended strand (participates in β ladder)trans-123.6144.5170.400000110F36 Y55F36-A71 CarbonylContact O-C 3.5Å; F36-A71 WeakPolarHBondContact O-CA 3.47Å; Y55-A71 HydrophobicContact CD2-CB 4.44Å; Y55-A71 HydrophobicContact CE2-CB 3.81Å
72V96.4Very high97Very high20 Ų2061 Ų6112%0.12131%0.307CS..EExtended strand (participates in β ladder)trans-130.7142.2173.3640000109.1I35 F36 M37 K38 F74I35-V72 HydrophobicContact CG2-CB 4.42Å; I35-V72 HydrophobicContact CG2-CG1 3.66Å; F36-V72 PolarHBondContact O-N 2.6Å; M37-V72 WeakPolarHBondContact CA-O 3.22Å; M37-V72 HydrophobicContact CB-CG1 4.45Å; M37-V72 HydrophobicContact CG-CG1 3.88Å; K38-V72 PolarHBondContact N-O 3.03Å; V72-F74 HydrophobicContact CB-CE2 4.33Å; V72-F74 HydrophobicContact CB-CZ 4.34Å; V72-F74 HydrophobicContact CG1-CD2 3.94Å; V72-F74 HydrophobicContact CG1-CE2 3.39Å; V72-F74 HydrophobicContact CG1-CZ 3.83Å; V72-F74 HydrophobicContact CG2-CD1 4.26Å; V72-F74 HydrophobicContact CG2-CD2 4.45Å; V72-F74 HydrophobicContact CG2-CE1 3.72Å; V72-F74 HydrophobicContact CG2-CE2 3.95Å; V72-F74 HydrophobicContact CG2-CZ 3.54Å
73N95.8Very high96.9Very high83 Ų8361 Ų6144%0.44431%0.307SS..EExtended strand (participates in β ladder)trans-102.5121.8176.5-175.6-32.8000109K38 E75K38-N73 WeakPolarHBondContact O-CA 3.38Å; K38-N73 PolarHBondContact O-OD1 3.37Å; N73-E75 VanDerWaalsContact ND2-CD 3.3Å; N73-E75 PolarHBondContact ND2-OE2 2.93Å; N73-E75 VanDerWaalsContact OD1-CB 3.22Å; N73-E75 WeakPolarHBondContact OD1-CB 3.27Å; N73-E75 VanDerWaalsContact OD1-CG 3.27Å; N73-E75 WeakPolarHBondContact OD1-CG 3.23Å; N73-E75 PolarHBondContact OD1-N 3.02Å
74F96.4Very high96.8Very high12 Ų1258.8 Ų58.85%0.05330%0.296CS..  trans-122.626.1173-61.1-55.3000111.9M37 K38 N39 V72 K76 E77 Y78 I106 A110 F111 H114M37-F74 HydrophobicContact CB-CD2 4.33Å; M37-F74 HydrophobicContact CG-CD2 4.04Å; M37-F74 HydrophobicContact CG-CE2 4.01Å; M37-F74 HydrophobicContact SD-CD2 4.32Å; M37-F74 HydrophobicContact SD-CE2 4.25Å; K38-F74 PolarHBondContact O-N 3.17Å; N39-F74 WeakPolarHBondContact OD1-CB 3.4Å; V72-F74 HydrophobicContact CB-CE2 4.33Å; V72-F74 HydrophobicContact CB-CZ 4.34Å; V72-F74 HydrophobicContact CG1-CD2 3.94Å; V72-F74 HydrophobicContact CG1-CE2 3.39Å; V72-F74 HydrophobicContact CG1-CZ 3.83Å; V72-F74 HydrophobicContact CG2-CD1 4.26Å; V72-F74 HydrophobicContact CG2-CD2 4.45Å; V72-F74 HydrophobicContact CG2-CE1 3.72Å; V72-F74 HydrophobicContact CG2-CE2 3.95Å; V72-F74 HydrophobicContact CG2-CZ 3.54Å; F74-K76 PolarHBondContact O-N 3.24Å; F74-E77 WeakPolarHBondContact CA-OE2 3.46Å; F74-E77 HydrophobicContact CB-CB 4.37Å; F74-E77 PolarHBondContact O-N 3.33Å; F74-Y78 VanDerWaalsContact O-CB 3.23Å; F74-Y78 WeakPolarHBondContact O-CB 3.25Å; F74-Y78 PolarHBondContact O-N 3.4Å; F74-I106 HydrophobicContact CB-CG2 4.39Å; F74-I106 HydrophobicContact CD2-CG2 4.28Å; F74-A110 HydrophobicContact CD1-CB 4.11Å; F74-A110 HydrophobicContact CE1-CB 4Å; F74-A110 HydrophobicContact CG-CB 4.42Å; F74-A110 HydrophobicContact CZ-CB 4.21Å; F74-F111 HydrophobicContact CE2-CB 4.06Å; F74-H114 HydrophobicContact CZ-CB 3.93Å
75E94.8Very high96.8Very high50 Ų5056.3 Ų56.323%0.23428%0.284CS..Hα-helixtrans-55.5-40.9178.7-74.2166.7176.900111.5K38 N73 Y78 W79K38-E75 VanDerWaalsContact CD-OE1 3.25Å; K38-E75 WeakPolarHBondContact CD-OE1 3.32Å; K38-E75 WeakPolarHBondContact CE-OE1 3.47Å; K38-E75 IonicContact NZ-OE1 3.64Å; K38-E75 PolarHBondContact NZ-OE1 3.12Å; K38-E75 PolarHBondContact O-N 3.02Å; N73-E75 VanDerWaalsContact ND2-CD 3.3Å; N73-E75 PolarHBondContact ND2-OE2 2.93Å; N73-E75 VanDerWaalsContact OD1-CB 3.22Å; N73-E75 WeakPolarHBondContact OD1-CB 3.27Å; N73-E75 VanDerWaalsContact OD1-CG 3.27Å; N73-E75 WeakPolarHBondContact OD1-CG 3.23Å; N73-E75 PolarHBondContact OD1-N 3.02Å; E75-Y78 PolarHBondContact O-N 3.38Å; E75-W79 VanDerWaalsContact O-CB 3.27Å; E75-W79 WeakPolarHBondContact O-CB 3.39Å; E75-W79 PolarHBondContact O-N 2.94Å
76K96Very high96.8Very high141 Ų14155.3 Ų55.361%0.61328%0.278SS*.Hα-helixtrans-65.3-50.9178.9-176.4-177.1178.9-58.10111.2F74 Y78 W79 D80F74-K76 PolarHBondContact O-N 3.24Å; K76-Y78 VanDerWaalsContact C-N 3.3Å; K76-Y78 PolarHBondContact O-N 3.42Å; K76-W79 PolarHBondContact O-N 3.42Å; K76-D80 IonicContact NZ-OD2 3.24Å; K76-D80 PolarHBondContact NZ-OD2 3.03Å; K76-D80 WeakPolarHBondContact O-CB 3.4Å; K76-D80 VanDerWaalsContact O-CG 3.23Å; K76-D80 PolarHBondContact O-N 2.86Å
77E97.3Very high96.6Very high75 Ų7553.9 Ų53.935%0.3526%0.259SS..Hα-helixtrans-60.9-42.2178.3-67.783.1168.900110.9F74 D80 K81 I106F74-E77 WeakPolarHBondContact CA-OE2 3.46Å; F74-E77 HydrophobicContact CB-CB 4.37Å; F74-E77 PolarHBondContact O-N 3.33Å; E77-D80 PolarHBondContact O-N 3.2Å; E77-K81 WeakPolarHBondContact O-CB 3.45Å; E77-K81 WeakPolarHBondContact O-CG 3.38Å; E77-K81 PolarHBondContact O-N 3.23Å; E77-I106 HydrophobicContact CB-CD1 3.79Å
78Y96.7Very high96.5Very high2 Ų256.2 Ų56.21%0.00827%0.271CS..Hα-helixtrans-63.2-46.2177.8-165.2-79.9000111.5N39 W40 F74 E75 K76 V82 F83 C102 I106 F200N39-Y78 HydrophobicContact CB-CD2 3.61Å; N39-Y78 HydrophobicContact CB-CE2 4.25Å; N39-Y78 HydrophobicContact CB-CG 3.98Å; N39-Y78 VanDerWaalsContact O-CB 3.32Å; N39-Y78 WeakPolarHBondContact O-CB 3.31Å; W40-Y78 HydrophobicContact CE3-CD1 4.06Å; W40-Y78 HydrophobicContact CE3-CE1 4.33Å; W40-Y78 HydrophobicContact CZ3-CD1 4.48Å; F74-Y78 VanDerWaalsContact O-CB 3.23Å; F74-Y78 WeakPolarHBondContact O-CB 3.25Å; F74-Y78 PolarHBondContact O-N 3.4Å; E75-Y78 PolarHBondContact O-N 3.38Å; K76-Y78 VanDerWaalsContact C-N 3.3Å; K76-Y78 PolarHBondContact O-N 3.42Å; Y78-V82 HydrophobicContact CD1-CB 4.17Å; Y78-V82 HydrophobicContact CD2-CB 4.35Å; Y78-V82 HydrophobicContact CD2-CG2 4.15Å; Y78-V82 HydrophobicContact CE1-CB 3.97Å; Y78-V82 HydrophobicContact CE1-CG1 3.95Å; Y78-V82 HydrophobicContact CE2-CB 4.2Å; Y78-V82 HydrophobicContact CE2-CG1 4.12Å; Y78-V82 HydrophobicContact CE2-CG2 4.18Å; Y78-V82 HydrophobicContact CG-CB 4.32Å; Y78-V82 HydrophobicContact CG-CG2 4.44Å; Y78-V82 WeakPolarHBondContact O-CA 3.45Å; Y78-V82 WeakPolarHBondContact O-CB 3.36Å; Y78-V82 PolarHBondContact O-N 2.86Å; Y78-F83 PolarHBondContact O-N 3.49Å; Y78-C102 HydrophobicContact CE2-CB 4.14Å; Y78-I106 HydrophobicContact CD2-CD1 4.39Å; Y78-I106 HydrophobicContact CD2-CG1 3.86Å; Y78-F200 AromaticContact CE1-CD1 3.42Å; Y78-F200 HydrophobicContact CE1-CD1 3.42Å; Y78-F200 VanDerWaalsContact CE1-CD1 3.42Å; Y78-F200 AromaticContact CE1-CE1 3.91Å; Y78-F200 HydrophobicContact CE1-CE1 3.91Å; Y78-F200 HydrophobicContact CE1-CG 4.38Å; Y78-F200 AromaticContact CZ-CD1 3.67Å; Y78-F200 WeakPolarHBondContact OH-CD1 3.41Å; Y78-F200 WeakPolarHBondContact OH-CE1 3.24Å
79W95.6Very high96.4Very high113 Ų11353.8 Ų53.843%0.42826%0.255SS..Iπ-helixtrans-59.2-51.5175.9-176.3-82.7000111.6W40 E75 K76 K81 F83 T84 Y213W40-W79 AromaticContact CH2-CE3 3.79Å; W40-W79 HydrophobicContact CH2-CE3 3.79Å; W40-W79 AromaticContact CH2-CZ3 3.62Å; W40-W79 HydrophobicContact CH2-CZ3 3.62Å; W40-W79 AromaticContact CZ3-CE3 3.7Å; W40-W79 HydrophobicContact CZ3-CE3 3.7Å; W40-W79 HydrophobicContact CZ3-CZ3 4.05Å; E75-W79 VanDerWaalsContact O-CB 3.27Å; E75-W79 WeakPolarHBondContact O-CB 3.39Å; E75-W79 PolarHBondContact O-N 2.94Å; K76-W79 PolarHBondContact O-N 3.42Å; W79-K81 PolarHBondContact O-N 3.34Å; W79-F83 HydrophobicContact CD2-CD1 4.01Å; W79-F83 AromaticContact CE3-CD1 3.71Å; W79-F83 HydrophobicContact CE3-CD1 3.71Å; W79-F83 HydrophobicContact CE3-CE1 4.24Å; W79-F83 HydrophobicContact CE3-CG 4.49Å; W79-F83 AromaticContact CH2-CD1 3.99Å; W79-F83 HydrophobicContact CH2-CD1 3.99Å; W79-F83 AromaticContact CH2-CE1 3.82Å; W79-F83 HydrophobicContact CH2-CE1 3.82Å; W79-F83 HydrophobicContact CZ2-CD1 4.24Å; W79-F83 HydrophobicContact CZ2-CE1 4.36Å; W79-F83 AromaticContact CZ3-CD1 3.71Å; W79-F83 HydrophobicContact CZ3-CD1 3.71Å; W79-F83 AromaticContact CZ3-CE1 3.74Å; W79-F83 HydrophobicContact CZ3-CE1 3.74Å; W79-T84 WeakPolarHBondContact O-CB 3.22Å; W79-T84 PolarHBondContact O-N 2.82Å; W79-T84 PolarHBondContact O-OG1 3.37Å; W79-Y213 HydrophobicContact CH2-CD1 4.42Å; W79-Y213 AromaticContact CH2-CE1 3.88Å; W79-Y213 HydrophobicContact CH2-CE1 3.88Å; W79-Y213 HydrophobicContact CZ3-CE1 4.24Å
80D97Very high96.3Very high74 Ų7451 Ų5140%0.39624%0.244SC..Iπ-helixtrans-67.4-38.1-174.9-70.5-16.8000112.1K76 E77K76-D80 IonicContact NZ-OD2 3.24Å; K76-D80 PolarHBondContact NZ-OD2 3.03Å; K76-D80 WeakPolarHBondContact O-CB 3.4Å; K76-D80 VanDerWaalsContact O-CG 3.23Å; K76-D80 PolarHBondContact O-N 2.86Å; E77-D80 PolarHBondContact O-N 3.2Å
81K97Very high96Very high119 Ų11950.2 Ų50.252%0.51724%0.244SC..Iπ-helixtrans-105.1-29.6-169.3-60.2-61.8-175179.40115.1E77 W79 E105E77-K81 WeakPolarHBondContact O-CB 3.45Å; E77-K81 WeakPolarHBondContact O-CG 3.38Å; E77-K81 PolarHBondContact O-N 3.23Å; W79-K81 PolarHBondContact O-N 3.34Å; K81-E105 HydrophobicContact CB-CB 3.81Å; K81-E105 HydrophobicContact CB-CG 4.04Å; K81-E105 HydrophobicContact CG-CB 4.41Å
82V97.3Very high95.9Very high0 Ų052.2 Ų52.20%024%0.242CC..Iπ-helixtrans-109.1-52.7-175.6-174.80000110.5Y78 F86 P98 M101 C102 I106Y78-V82 HydrophobicContact CD1-CB 4.17Å; Y78-V82 HydrophobicContact CD2-CB 4.35Å; Y78-V82 HydrophobicContact CD2-CG2 4.15Å; Y78-V82 HydrophobicContact CE1-CB 3.97Å; Y78-V82 HydrophobicContact CE1-CG1 3.95Å; Y78-V82 HydrophobicContact CE2-CB 4.2Å; Y78-V82 HydrophobicContact CE2-CG1 4.12Å; Y78-V82 HydrophobicContact CE2-CG2 4.18Å; Y78-V82 HydrophobicContact CG-CB 4.32Å; Y78-V82 HydrophobicContact CG-CG2 4.44Å; Y78-V82 WeakPolarHBondContact O-CA 3.45Å; Y78-V82 WeakPolarHBondContact O-CB 3.36Å; Y78-V82 PolarHBondContact O-N 2.86Å; V82-F86 WeakPolarHBondContact O-CB 3.27Å; V82-F86 PolarHBondContact O-N 2.87Å; V82-P98 HydrophobicContact CG1-CB 4.01Å; V82-P98 WeakPolarHBondContact CG1-O 3.3Å; V82-M101 HydrophobicContact CG1-CB 4.32Å; V82-M101 HydrophobicContact CG2-CB 4.43Å; V82-C102 HydrophobicContact CG1-CB 4.35Å; V82-C102 HydrophobicContact CG2-CB 4.36Å; V82-I106 HydrophobicContact CG2-CD1 4.32Å; V82-I106 HydrophobicContact CG2-CG1 3.75Å
83F96.1Very high95.7Very high0 Ų051.4 Ų51.40%024%0.238CC..Iπ-helixtrans-72.1-42.2-173.9-167-115.3000112.5W40 Y78 W79 Y85 F86 L87 F200 F209 Y213W40-F83 AromaticContact CH2-CD1 3.81Å; W40-F83 HydrophobicContact CH2-CD1 3.81Å; W40-F83 AromaticContact CH2-CD2 3.86Å; W40-F83 HydrophobicContact CH2-CD2 3.86Å; W40-F83 AromaticContact CH2-CE1 3.77Å; W40-F83 HydrophobicContact CH2-CE1 3.77Å; W40-F83 AromaticContact CH2-CE2 3.85Å; W40-F83 HydrophobicContact CH2-CE2 3.85Å; W40-F83 AromaticContact CH2-CG 3.85Å; W40-F83 HydrophobicContact CH2-CG 3.85Å; W40-F83 AromaticContact CH2-CZ 3.8Å; W40-F83 HydrophobicContact CH2-CZ 3.8Å; W40-F83 HydrophobicContact CZ3-CB 4.09Å; W40-F83 HydrophobicContact CZ3-CD1 4Å; W40-F83 AromaticContact CZ3-CD2 3.92Å; W40-F83 HydrophobicContact CZ3-CD2 3.92Å; W40-F83 HydrophobicContact CZ3-CE1 4.43Å; W40-F83 HydrophobicContact CZ3-CE2 4.38Å; W40-F83 AromaticContact CZ3-CG 3.73Å; W40-F83 HydrophobicContact CZ3-CG 3.73Å; Y78-F83 PolarHBondContact O-N 3.49Å; W79-F83 HydrophobicContact CD2-CD1 4.01Å; W79-F83 AromaticContact CE3-CD1 3.71Å; W79-F83 HydrophobicContact CE3-CD1 3.71Å; W79-F83 HydrophobicContact CE3-CE1 4.24Å; W79-F83 HydrophobicContact CE3-CG 4.49Å; W79-F83 AromaticContact CH2-CD1 3.99Å; W79-F83 HydrophobicContact CH2-CD1 3.99Å; W79-F83 AromaticContact CH2-CE1 3.82Å; W79-F83 HydrophobicContact CH2-CE1 3.82Å; W79-F83 HydrophobicContact CZ2-CD1 4.24Å; W79-F83 HydrophobicContact CZ2-CE1 4.36Å; W79-F83 AromaticContact CZ3-CD1 3.71Å; W79-F83 HydrophobicContact CZ3-CD1 3.71Å; W79-F83 AromaticContact CZ3-CE1 3.74Å; W79-F83 HydrophobicContact CZ3-CE1 3.74Å; F83-Y85 PolarHBondContact O-N 3.17Å; F83-F86 HydrophobicContact CD2-CD1 4.21Å; F83-F86 HydrophobicContact CE2-CD1 4.06Å; F83-F86 HydrophobicContact CE2-CE1 4.3Å; F83-F86 WeakPolarHBondContact O-CB 3.31Å; F83-F86 PolarHBondContact O-N 3.31Å; F83-L87 HydrophobicContact CD1-CD1 4.08Å; F83-L87 HydrophobicContact CD1-CG 4.42Å; F83-L87 HydrophobicContact CE1-CD1 3.65Å; F83-L87 HydrophobicContact CE1-CD2 4.41Å; F83-L87 HydrophobicContact CE1-CG 4.11Å; F83-L87 HydrophobicContact CE2-CD2 4.47Å; F83-L87 HydrophobicContact CZ-CD1 4.14Å; F83-L87 HydrophobicContact CZ-CD2 4.06Å; F83-L87 HydrophobicContact CZ-CG 4.2Å; F83-L87 WeakPolarHBondContact O-CG 3.29Å; F83-L87 PolarHBondContact O-N 2.83Å; F83-F200 HydrophobicContact CD2-CD1 4.45Å; F83-F200 HydrophobicContact CD2-CD2 4.21Å; F83-F200 HydrophobicContact CD2-CE1 4.15Å; F83-F200 AromaticContact CD2-CE2 3.92Å; F83-F200 HydrophobicContact CD2-CE2 3.92Å; F83-F200 HydrophobicContact CD2-CG 4.45Å; F83-F200 AromaticContact CD2-CZ 3.87Å; F83-F200 HydrophobicContact CD2-CZ 3.87Å; F83-F200 HydrophobicContact CE2-CD2 4.01Å; F83-F200 AromaticContact CE2-CE2 3.72Å; F83-F200 HydrophobicContact CE2-CE2 3.72Å; F83-F200 HydrophobicContact CE2-CZ 4.12Å; F83-F209 AromaticContact CE2-CE1 3.77Å; F83-F209 HydrophobicContact CE2-CE1 3.77Å; F83-F209 AromaticContact CE2-CZ 3.6Å; F83-F209 HydrophobicContact CE2-CZ 3.6Å; F83-F209 HydrophobicContact CZ-CE1 4.14Å; F83-F209 AromaticContact CZ-CZ 3.88Å; F83-F209 HydrophobicContact CZ-CZ 3.88Å; F83-Y213 AromaticContact CE1-CD1 3.62Å; F83-Y213 HydrophobicContact CE1-CD1 3.62Å; F83-Y213 HydrophobicContact CE1-CD2 4.46Å; F83-Y213 AromaticContact CE1-CE1 3.58Å; F83-Y213 HydrophobicContact CE1-CE1 3.58Å; F83-Y213 HydrophobicContact CE1-CE2 4.45Å; F83-Y213 HydrophobicContact CE1-CG 4.07Å; F83-Y213 AromaticContact CZ-CD1 3.75Å; F83-Y213 HydrophobicContact CZ-CD1 3.75Å; F83-Y213 AromaticContact CZ-CD2 3.74Å; F83-Y213 HydrophobicContact CZ-CD2 3.74Å; F83-Y213 AromaticContact CZ-CE1 3.72Å; F83-Y213 HydrophobicContact CZ-CE1 3.72Å; F83-Y213 AromaticContact CZ-CE2 3.73Å; F83-Y213 HydrophobicContact CZ-CE2 3.73Å; F83-Y213 AromaticContact CZ-CG 3.75Å; F83-Y213 HydrophobicContact CZ-CG 3.75Å; F83-Y213 AromaticContact CZ-CZ 3.71Å
84T96.4Very high95.7Very high51 Ų5149.2 Ų49.231%0.31322%0.223SC..Hα-helixtrans-60.4-46175.1-59.70000111.2W79 F86 L87 D88W79-T84 WeakPolarHBondContact O-CB 3.22Å; W79-T84 PolarHBondContact O-N 2.82Å; W79-T84 PolarHBondContact O-OG1 3.37Å; T84-F86 VanDerWaalsContact C-N 3.35Å; T84-F86 PolarHBondContact O-N 3.34Å; T84-L87 PolarHBondContact O-N 3.31Å; T84-D88 WeakPolarHBondContact O-CB 3.25Å; T84-D88 PolarHBondContact O-N 2.93Å
85Y96.8Very high95.7Very high43 Ų4349.2 Ų49.217%0.16922%0.224CC..Hα-helixtrans-54.2-50.6171.6159.8-95000111.4F83 L87 D88 E89 P96 M101F83-Y85 PolarHBondContact O-N 3.17Å; Y85-L87 VanDerWaalsContact C-N 3.32Å; Y85-L87 PolarHBondContact O-N 2.85Å; Y85-D88 PolarHBondContact O-N 3.44Å; Y85-D88 VanDerWaalsContact O-N 3.16Å; Y85-E89 HydrophobicContact CD2-CG 3.87Å; Y85-E89 HydrophobicContact CE1-CG 4.18Å; Y85-E89 HydrophobicContact CE2-CG 3.46Å; Y85-E89 VanDerWaalsContact CE2-CG 3.46Å; Y85-E89 HydrophobicContact CG-CG 4.39Å; Y85-E89 WeakPolarHBondContact O-CG 3.39Å; Y85-E89 PolarHBondContact O-N 3.02Å; Y85-P96 HydrophobicContact CE1-CB 3.81Å; Y85-M101 HydrophobicContact CD1-CB 4.21Å; Y85-M101 HydrophobicContact CD1-CG 3.48Å; Y85-M101 VanDerWaalsContact CD1-CG 3.48Å; Y85-M101 HydrophobicContact CD2-CG 4.37Å; Y85-M101 HydrophobicContact CE1-CB 4.4Å; Y85-M101 HydrophobicContact CE1-CG 3.41Å; Y85-M101 VanDerWaalsContact CE1-CG 3.41Å; Y85-M101 HydrophobicContact CE2-CG 4.31Å; Y85-M101 HydrophobicContact CG-CG 3.98Å
86F96.3Very high95.7Very high0 Ų047.1 Ų47.10%022%0.215CC..Hα-helixtrans-56.2-44.8-179.4169.9-92.8000112.1V82 F83 T84 Y90 P96 P98 I198 F200 I201 F206 F209 L210V82-F86 WeakPolarHBondContact O-CB 3.27Å; V82-F86 PolarHBondContact O-N 2.87Å; F83-F86 HydrophobicContact CD2-CD1 4.21Å; F83-F86 HydrophobicContact CE2-CD1 4.06Å; F83-F86 HydrophobicContact CE2-CE1 4.3Å; F83-F86 WeakPolarHBondContact O-CB 3.31Å; F83-F86 PolarHBondContact O-N 3.31Å; T84-F86 VanDerWaalsContact C-N 3.35Å; T84-F86 PolarHBondContact O-N 3.34Å; F86-Y90 HydrophobicContact CD1-CD2 4.32Å; F86-Y90 HydrophobicContact CD1-CE2 4.33Å; F86-Y90 HydrophobicContact CD2-CD2 4.49Å; F86-Y90 AromaticContact CD2-CE2 3.92Å; F86-Y90 HydrophobicContact CD2-CE2 3.92Å; F86-Y90 HydrophobicContact CE1-CD2 4.11Å; F86-Y90 AromaticContact CE1-CE2 3.87Å; F86-Y90 HydrophobicContact CE1-CE2 3.87Å; F86-Y90 HydrophobicContact CE2-CD2 4.32Å; F86-Y90 AromaticContact CE2-CE2 3.45Å; F86-Y90 HydrophobicContact CE2-CE2 3.45Å; F86-Y90 VanDerWaalsContact CE2-CE2 3.45Å; F86-Y90 HydrophobicContact CG-CE2 4.36Å; F86-Y90 HydrophobicContact CZ-CD2 4.12Å; F86-Y90 AromaticContact CZ-CE2 3.42Å; F86-Y90 HydrophobicContact CZ-CE2 3.42Å; F86-Y90 VanDerWaalsContact CZ-CE2 3.42Å; F86-Y90 VanDerWaalsContact O-CD2 3.24Å; F86-Y90 WeakPolarHBondContact O-CD2 3.36Å; F86-Y90 PolarHBondContact O-N 3.5Å; F86-P96 HydrophobicContact CD2-CB 4.23Å; F86-P96 HydrophobicContact CD2-CG 3.52Å; F86-P96 HydrophobicContact CE2-CG 4.04Å; F86-P96 HydrophobicContact CG-CG 4.2Å; F86-P98 HydrophobicContact CD2-CB 3.98Å; F86-P98 HydrophobicContact CD2-CG 3.79Å; F86-P98 HydrophobicContact CE2-CG 4.09Å; F86-I198 HydrophobicContact CE2-CD1 3.78Å; F86-I198 HydrophobicContact CZ-CD1 4.38Å; F86-F200 HydrophobicContact CD1-CE2 4.33Å; F86-F200 AromaticContact CD1-CZ 3.99Å; F86-F200 HydrophobicContact CD1-CZ 3.99Å; F86-F200 HydrophobicContact CD2-CZ 4.01Å; F86-F200 AromaticContact CE1-CE2 3.96Å; F86-F200 HydrophobicContact CE1-CE2 3.96Å; F86-F200 AromaticContact CE1-CZ 3.99Å; F86-F200 HydrophobicContact CE1-CZ 3.99Å; F86-F200 HydrophobicContact CE2-CE2 4.45Å; F86-F200 AromaticContact CE2-CZ 3.98Å; F86-F200 HydrophobicContact CE2-CZ 3.98Å; F86-F200 AromaticContact CG-CZ 3.99Å; F86-F200 HydrophobicContact CG-CZ 3.99Å; F86-F200 HydrophobicContact CZ-CE2 4.01Å; F86-F200 AromaticContact CZ-CZ 3.97Å; F86-F200 HydrophobicContact CZ-CZ 3.97Å; F86-I201 HydrophobicContact CZ-CD1 4.38Å; F86-F206 HydrophobicContact CE2-CE2 4.5Å; F86-F206 AromaticContact CZ-CE2 3.97Å; F86-F206 HydrophobicContact CZ-CE2 3.97Å; F86-F206 HydrophobicContact CZ-CZ 4.29Å; F86-F209 HydrophobicContact CE1-CE1 4.4Å; F86-L210 HydrophobicContact CE1-CD1 3.78Å; F86-L210 HydrophobicContact CZ-CD1 4.35Å
87L95.6Very high95.7Very high20 Ų2041 Ų4111%0.10519%0.189CC..Hα-helixtrans-67.6-42.2176.7-64.1-178000112.5F83 T84 Y85 E89 Y90 K91 L210 Y213 L214F83-L87 HydrophobicContact CD1-CD1 4.08Å; F83-L87 HydrophobicContact CD1-CG 4.42Å; F83-L87 HydrophobicContact CE1-CD1 3.65Å; F83-L87 HydrophobicContact CE1-CD2 4.41Å; F83-L87 HydrophobicContact CE1-CG 4.11Å; F83-L87 HydrophobicContact CE2-CD2 4.47Å; F83-L87 HydrophobicContact CZ-CD1 4.14Å; F83-L87 HydrophobicContact CZ-CD2 4.06Å; F83-L87 HydrophobicContact CZ-CG 4.2Å; F83-L87 WeakPolarHBondContact O-CG 3.29Å; F83-L87 PolarHBondContact O-N 2.83Å; T84-L87 PolarHBondContact O-N 3.31Å; Y85-L87 VanDerWaalsContact C-N 3.32Å; Y85-L87 PolarHBondContact O-N 2.85Å; L87-E89 VanDerWaalsContact C-N 3.32Å; L87-E89 PolarHBondContact O-N 2.97Å; L87-Y90 PolarHBondContact O-N 2.95Å; L87-K91 WeakPolarHBondContact O-CG 3.44Å; L87-K91 PolarHBondContact O-N 3.46Å; L87-L210 HydrophobicContact CD2-CD1 4.07Å; L87-Y213 HydrophobicContact CD1-CD1 4.44Å; L87-Y213 HydrophobicContact CD1-CG 4.46Å; L87-Y213 HydrophobicContact CD2-CG 4.31Å; L87-L214 HydrophobicContact CD2-CD1 4.25Å; L87-L214 HydrophobicContact CD2-CG 4.13Å
88D96.1Very high95.6Very high58 Ų5837.6 Ų37.631%0.3117%0.173SC..Hα-helixtrans-66.3-34.4-178.9-72.9-16.3000112.5T84 Y85 K91 K92T84-D88 WeakPolarHBondContact O-CB 3.25Å; T84-D88 PolarHBondContact O-N 2.93Å; Y85-D88 PolarHBondContact O-N 3.44Å; Y85-D88 VanDerWaalsContact O-N 3.16Å; D88-K91 PolarHBondContact O-N 3.41Å; D88-K91 IonicContact OD1-NZ 3.49Å; D88-K91 PolarHBondContact OD1-NZ 3.21Å; D88-K92 WeakPolarHBondContact O-CG 3.26Å; D88-K92 PolarHBondContact O-N 2.81Å
89E95.8Very high95.6Very high4 Ų439.5 Ų39.52%0.01918%0.184CC..Hα-helixtrans-65-42.7173.6-70.2-57.4104.300112.5Y85 L87 K91 K92 G93 R94 P96Y85-E89 HydrophobicContact CD2-CG 3.87Å; Y85-E89 HydrophobicContact CE1-CG 4.18Å; Y85-E89 HydrophobicContact CE2-CG 3.46Å; Y85-E89 VanDerWaalsContact CE2-CG 3.46Å; Y85-E89 HydrophobicContact CG-CG 4.39Å; Y85-E89 WeakPolarHBondContact O-CG 3.39Å; Y85-E89 PolarHBondContact O-N 3.02Å; L87-E89 VanDerWaalsContact C-N 3.32Å; L87-E89 PolarHBondContact O-N 2.97Å; E89-K91 VanDerWaalsContact C-N 3.34Å; E89-K91 PolarHBondContact O-N 2.86Å; E89-K92 CarbonylContact O-C 3.56Å; E89-K92 WeakPolarHBondContact O-CB 3.43Å; E89-K92 PolarHBondContact O-N 3.44Å; E89-K92 VanDerWaalsContact O-N 3.14Å; E89-K92 IonicContact OE1-NZ 3.58Å; E89-K92 PolarHBondContact OE1-NZ 3.09Å; E89-G93 PolarHBondContact O-N 2.89Å; E89-R94 WeakPolarHBondContact O-CB 3.45Å; E89-R94 PolarHBondContact O-N 3.19Å; E89-R94 IonicContact OE1-CZ 2.92Å; E89-R94 IonicContact OE1-NE 3.56Å; E89-R94 IonicContact OE1-NH2 2.57Å; E89-R94 PolarHBondContact OE1-NH2 3.14Å; E89-R94 IonicContact OE2-CZ 3.96Å; E89-R94 IonicContact OE2-NE 2.81Å; E89-R94 PolarHBondContact OE2-NE 2.83Å; E89-R94 IonicContact OE2-NH2 3.78Å; E89-R94 PolarHBondContact OE2-NH2 3.32Å; E89-P96 HydrophobicContact CB-CB 3.69Å; E89-P96 HydrophobicContact CB-CG 4Å; E89-P96 HydrophobicContact CG-CB 3.98Å
90Y94.3Very high95.7Very high18 Ų1834.3 Ų34.37%0.07116%0.164CC..Hα-helixtrans-65.5-35.7174.6-81.5-60.5000113F86 L87 K92 G93 R94 P96 F206 L210 L214 M236F86-Y90 HydrophobicContact CD1-CD2 4.32Å; F86-Y90 HydrophobicContact CD1-CE2 4.33Å; F86-Y90 HydrophobicContact CD2-CD2 4.49Å; F86-Y90 AromaticContact CD2-CE2 3.92Å; F86-Y90 HydrophobicContact CD2-CE2 3.92Å; F86-Y90 HydrophobicContact CE1-CD2 4.11Å; F86-Y90 AromaticContact CE1-CE2 3.87Å; F86-Y90 HydrophobicContact CE1-CE2 3.87Å; F86-Y90 HydrophobicContact CE2-CD2 4.32Å; F86-Y90 AromaticContact CE2-CE2 3.45Å; F86-Y90 HydrophobicContact CE2-CE2 3.45Å; F86-Y90 VanDerWaalsContact CE2-CE2 3.45Å; F86-Y90 HydrophobicContact CG-CE2 4.36Å; F86-Y90 HydrophobicContact CZ-CD2 4.12Å; F86-Y90 AromaticContact CZ-CE2 3.42Å; F86-Y90 HydrophobicContact CZ-CE2 3.42Å; F86-Y90 VanDerWaalsContact CZ-CE2 3.42Å; F86-Y90 VanDerWaalsContact O-CD2 3.24Å; F86-Y90 WeakPolarHBondContact O-CD2 3.36Å; F86-Y90 PolarHBondContact O-N 3.5Å; L87-Y90 PolarHBondContact O-N 2.95Å; Y90-K92 PolarHBondContact O-N 3.21Å; Y90-G93 PolarHBondContact O-N 3.34Å; Y90-R94 WeakPolarHBondContact CD1-O 3.42Å; Y90-P96 HydrophobicContact CD2-CG 3.88Å; Y90-P96 HydrophobicContact CE2-CG 3.46Å; Y90-P96 VanDerWaalsContact CE2-CG 3.46Å; Y90-F206 HydrophobicContact CE1-CZ 4.49Å; Y90-F206 HydrophobicContact CE2-CZ 4.07Å; Y90-F206 AromaticContact CZ-CZ 3.69Å; Y90-F206 VanDerWaalsContact OH-CZ 3.23Å; Y90-F206 WeakPolarHBondContact OH-CZ 3.32Å; Y90-L210 HydrophobicContact CD1-CD2 4.41Å; Y90-L210 HydrophobicContact CD2-CD1 4.02Å; Y90-L210 HydrophobicContact CD2-CD2 4.17Å; Y90-L210 HydrophobicContact CE1-CD2 4.5Å; Y90-L210 HydrophobicContact CE2-CD1 4.38Å; Y90-L210 HydrophobicContact CE2-CD2 4.28Å; Y90-L210 HydrophobicContact CG-CD2 4.26Å; Y90-L214 HydrophobicContact CG-CD1 4.49Å; Y90-M236 HydrophobicContact CD1-CB 3.69Å; Y90-M236 HydrophobicContact CE1-CB 4.46Å; Y90-M236 VanDerWaalsContact CE1-O 3.3Å; Y90-M236 WeakPolarHBondContact CE1-O 3.43Å; Y90-M236 HydrophobicContact CG-CB 4.18Å
91K92.7Very high95.7Very high114 Ų11431.5 Ų31.550%0.49615%0.149SC..Hα-helixtrans-61.3-29.8173.6-70.1172.4-161.6159.50112.1L87 D88 E89 G93 L214 L262L87-K91 WeakPolarHBondContact O-CG 3.44Å; L87-K91 PolarHBondContact O-N 3.46Å; D88-K91 PolarHBondContact O-N 3.41Å; D88-K91 IonicContact OD1-NZ 3.49Å; D88-K91 PolarHBondContact OD1-NZ 3.21Å; E89-K91 VanDerWaalsContact C-N 3.34Å; E89-K91 PolarHBondContact O-N 2.86Å; K91-G93 VanDerWaalsContact C-N 3.28Å; K91-L214 HydrophobicContact CD-CD2 4.26Å; K91-L214 HydrophobicContact CG-CD2 3.74Å; K91-L262 WeakPolarHBondContact O-CD2 3.22Å
92K93.2Very high95.7Very high99 Ų9926 Ų2643%0.4313%0.126SC..THydrogen-bonded Turntrans-83.64.4174.3-61.7167.9-165.4166.70113.3D88 E89 Y90 R94 V372D88-K92 WeakPolarHBondContact O-CG 3.26Å; D88-K92 PolarHBondContact O-N 2.81Å; E89-K92 CarbonylContact O-C 3.56Å; E89-K92 WeakPolarHBondContact O-CB 3.43Å; E89-K92 PolarHBondContact O-N 3.44Å; E89-K92 VanDerWaalsContact O-N 3.14Å; E89-K92 IonicContact OE1-NZ 3.58Å; E89-K92 PolarHBondContact OE1-NZ 3.09Å; Y90-K92 PolarHBondContact O-N 3.21Å; K92-R94 HydrophobicContact CB-CG 4.1Å; K92-R94 PolarHBondContact O-N 2.96Å; K92-V372 WeakPolarHBondContact O-CG1 3.41Å
93G92.8Very high95.7Very high4 Ų426.2 Ų26.24%0.04113%0.127CC..THydrogen-bonded Turntrans79.1-3-177.300000115E89 Y90 K91 K260E89-G93 PolarHBondContact O-N 2.89Å; Y90-G93 PolarHBondContact O-N 3.34Å; K91-G93 VanDerWaalsContact C-N 3.28Å; G93-K260 PolarHBondContact O-NZ 3.3Å
94R95.4Very high95.7Very high36 Ų3628.9 Ų28.914%0.13614%0.139CC..  trans-81.2163.1-176.3-55.9-160.1-65-171.24.6111.7E89 Y90 K92 P340 D359 V372E89-R94 WeakPolarHBondContact O-CB 3.45Å; E89-R94 PolarHBondContact O-N 3.19Å; E89-R94 IonicContact OE1-CZ 2.92Å; E89-R94 IonicContact OE1-NE 3.56Å; E89-R94 IonicContact OE1-NH2 2.57Å; E89-R94 PolarHBondContact OE1-NH2 3.14Å; E89-R94 IonicContact OE2-CZ 3.96Å; E89-R94 IonicContact OE2-NE 2.81Å; E89-R94 PolarHBondContact OE2-NE 2.83Å; E89-R94 IonicContact OE2-NH2 3.78Å; E89-R94 PolarHBondContact OE2-NH2 3.32Å; Y90-R94 WeakPolarHBondContact CD1-O 3.42Å; K92-R94 HydrophobicContact CB-CG 4.1Å; K92-R94 PolarHBondContact O-N 2.96Å; R94-P340 WeakPolarHBondContact CB-O 3.38Å; R94-P340 HydrophobicContact CG-CB 4.02Å; R94-D359 IonicContact CZ-OD1 2.73Å; R94-D359 IonicContact NH1-OD1 3.34Å; R94-D359 PolarHBondContact NH1-OD1 3.45Å; R94-V372 HydrophobicContact CG-CG1 4.28Å
95T95.7Very high95.8Very high12 Ų1228.3 Ų28.37%0.07413%0.132CC..  trans-108.8100.8175.7-54.90000109.5T239 P340 G341 Q342T95-T239 HydrophobicContact CG2-CG2 4Å; T95-T239 WeakPolarHBondContact CG2-OG1 3.02Å; T95-T239 PolarHBondContact OG1-OG1 2.81Å; T95-P340 PolarHBondContact N-O 2.98Å; T95-G341 CarbonylContact O-C 3.6Å; T95-Q342 PolarHBondContact O-N 3.21Å; T95-Q342 PolarHBondContact O-NE2 3.41Å
96P95.7Very high95.9Very high6 Ų626.2 Ų26.24%0.03912%0.124CC..  trans-68.1162.9-17626.8-34.6000113.4Y85 F86 E89 Y90 Q342Y85-P96 HydrophobicContact CE1-CB 3.81Å; F86-P96 HydrophobicContact CD2-CB 4.23Å; F86-P96 HydrophobicContact CD2-CG 3.52Å; F86-P96 HydrophobicContact CE2-CG 4.04Å; F86-P96 HydrophobicContact CG-CG 4.2Å; E89-P96 HydrophobicContact CB-CB 3.69Å; E89-P96 HydrophobicContact CB-CG 4Å; E89-P96 HydrophobicContact CG-CB 3.98Å; Y90-P96 HydrophobicContact CD2-CG 3.88Å; Y90-P96 HydrophobicContact CE2-CG 3.46Å; Y90-P96 VanDerWaalsContact CE2-CG 3.46Å; P96-Q342 PolarHBondContact O-NE2 3.05Å; P96-Q342 VanDerWaalsContact O-NE2 3.1Å
97N96Very high95.9Very high12 Ų1228.3 Ų28.36%0.06413%0.133CC..  trans-11789.7163.5-169.6-30.3000110.4D99 V100 Y153N97-D99 PolarHBondContact O-N 2.93Å; N97-D99 PolarHBondContact OD1-N 3.06Å; N97-V100 HydrophobicContact CB-CB 4.42Å; N97-V100 HydrophobicContact CB-CG2 4.06Å; N97-V100 VanDerWaalsContact CG-CG2 3.43Å; N97-V100 WeakPolarHBondContact ND2-CG2 3.41Å; N97-V100 PolarHBondContact O-N 3.34Å; N97-V100 PolarHBondContact OD1-N 3.4Å; N97-Y153 WeakPolarHBondContact ND2-CE1 3.49Å
98P96.1Very high96Very high4 Ų427.4 Ų27.43%0.02613%0.128CC..Hα-helixtrans-67.2-22.5-177.226.9-34000113.2V82 F86 M101 C102 I198 F200V82-P98 HydrophobicContact CG1-CB 4.01Å; V82-P98 WeakPolarHBondContact CG1-O 3.3Å; F86-P98 HydrophobicContact CD2-CB 3.98Å; F86-P98 HydrophobicContact CD2-CG 3.79Å; F86-P98 HydrophobicContact CE2-CG 4.09Å; P98-M101 PolarHBondContact O-N 2.93Å; P98-C102 VanDerWaalsContact O-CB 3.31Å; P98-C102 WeakPolarHBondContact O-CB 3.46Å; P98-C102 PolarHBondContact O-N 3.24Å; P98-I198 HydrophobicContact CB-CG2 4.28Å; P98-I198 HydrophobicContact CG-CB 4.41Å; P98-I198 HydrophobicContact CG-CD1 3.65Å; P98-I198 HydrophobicContact CG-CG1 3.8Å; P98-I198 HydrophobicContact CG-CG2 3.67Å; P98-F200 HydrophobicContact CB-CE1 4.16Å; P98-F200 HydrophobicContact CB-CZ 4.41Å
99D96.1Very high96.1Very high42 Ų4229.3 Ų29.323%0.22513%0.134CC..Hα-helixtrans-71.4-37.1179.4-67.2-42.7000112N97 M101 C102 N103 F154N97-D99 PolarHBondContact O-N 2.93Å; N97-D99 PolarHBondContact OD1-N 3.06Å; D99-M101 VanDerWaalsContact C-N 3.34Å; D99-C102 PolarHBondContact O-N 3.48Å; D99-N103 PolarHBondContact O-N 2.87Å; D99-N103 PolarHBondContact O-ND2 2.9Å; D99-F154 HydrophobicContact CB-CD1 3.72Å; D99-F154 HydrophobicContact CB-CE1 4.14Å; D99-F154 HydrophobicContact CB-CG 4.45Å
100V97.1Very high96.1Very high4 Ų430 Ų302%0.02414%0.14CC..Hα-helixtrans-59.6-46.7171.61760000110.1N97 N103 K104 F154 Q157 A343N97-V100 HydrophobicContact CB-CB 4.42Å; N97-V100 HydrophobicContact CB-CG2 4.06Å; N97-V100 VanDerWaalsContact CG-CG2 3.43Å; N97-V100 WeakPolarHBondContact ND2-CG2 3.41Å; N97-V100 PolarHBondContact O-N 3.34Å; N97-V100 PolarHBondContact OD1-N 3.4Å; V100-N103 PolarHBondContact O-N 3.16Å; V100-K104 WeakPolarHBondContact O-CB 3.13Å; V100-K104 PolarHBondContact O-N 2.94Å; V100-F154 HydrophobicContact CG2-CD1 4.34Å; V100-Q157 HydrophobicContact CG1-CB 4.41Å; V100-Q157 HydrophobicContact CG1-CG 3.57Å; V100-A343 HydrophobicContact CG2-CB 4.27Å
101M97Very high96.3Very high16 Ų1629.1 Ų29.18%0.07914%0.136CC..Hα-helixtrans-67.9-37.7177.9-67.2-53.112400112.5V82 Y85 P98 D99 N103 K104 E105V82-M101 HydrophobicContact CG1-CB 4.32Å; V82-M101 HydrophobicContact CG2-CB 4.43Å; Y85-M101 HydrophobicContact CD1-CB 4.21Å; Y85-M101 HydrophobicContact CD1-CG 3.48Å; Y85-M101 VanDerWaalsContact CD1-CG 3.48Å; Y85-M101 HydrophobicContact CD2-CG 4.37Å; Y85-M101 HydrophobicContact CE1-CB 4.4Å; Y85-M101 HydrophobicContact CE1-CG 3.41Å; Y85-M101 VanDerWaalsContact CE1-CG 3.41Å; Y85-M101 HydrophobicContact CE2-CG 4.31Å; Y85-M101 HydrophobicContact CG-CG 3.98Å; P98-M101 PolarHBondContact O-N 2.93Å; D99-M101 VanDerWaalsContact C-N 3.34Å; M101-N103 VanDerWaalsContact C-N 3.33Å; M101-N103 PolarHBondContact O-N 3.14Å; M101-K104 PolarHBondContact O-N 2.84Å; M101-K104 HydrophobicContact SD-CD 4.17Å; M101-E105 WeakPolarHBondContact O-CB 3.28Å; M101-E105 PolarHBondContact O-N 2.7Å
102C97.3Very high96.6Very high4 Ų424.2 Ų24.23%0.02712%0.116CC..Hα-helixtrans-60.5-42.8174.61770000111.6Y78 V82 P98 D99 I106 K107Y78-C102 HydrophobicContact CE2-CB 4.14Å; V82-C102 HydrophobicContact CG1-CB 4.35Å; V82-C102 HydrophobicContact CG2-CB 4.36Å; P98-C102 VanDerWaalsContact O-CB 3.31Å; P98-C102 WeakPolarHBondContact O-CB 3.46Å; P98-C102 PolarHBondContact O-N 3.24Å; D99-C102 PolarHBondContact O-N 3.48Å; C102-I106 WeakPolarHBondContact O-CA 3.34Å; C102-I106 VanDerWaalsContact O-CB 3.24Å; C102-I106 WeakPolarHBondContact O-CB 3.26Å; C102-I106 PolarHBondContact O-N 3.02Å; C102-K107 PolarHBondContact O-N 3.46Å; C102-K107 PolarHBondContact SG-NZ 3.14Å
103N97.6Very high96.8Very high3 Ų323.7 Ų23.72%0.01612%0.118CC..Iπ-helixtrans-65.3-47.7175.9-72.9-22.9000111.1D99 V100 M101 K107 F108 H127 F154 L155D99-N103 PolarHBondContact O-N 2.87Å; D99-N103 PolarHBondContact O-ND2 2.9Å; V100-N103 PolarHBondContact O-N 3.16Å; M101-N103 VanDerWaalsContact C-N 3.33Å; M101-N103 PolarHBondContact O-N 3.14Å; N103-K107 VanDerWaalsContact OD1-CD 3.29Å; N103-K107 WeakPolarHBondContact OD1-CD 3.32Å; N103-K107 PolarHBondContact OD1-NZ 3.23Å; N103-F108 HydrophobicContact CB-CD2 4.03Å; N103-F108 HydrophobicContact CB-CE2 4.19Å; N103-F108 WeakPolarHBondContact O-CB 3.24Å; N103-F108 VanDerWaalsContact O-CD2 3.32Å; N103-F108 WeakPolarHBondContact O-CD2 3.38Å; N103-F108 PolarHBondContact O-N 3.11Å; N103-H127 PolarHBondContact OD1-NE2 2.7Å; N103-F154 WeakPolarHBondContact ND2-CB 3.35Å; N103-F154 PolarHBondContact ND2-O 3.43Å; N103-L155 HydrophobicContact CB-CD2 4.13Å
104K96.9Very high97Very high57 Ų5726.4 Ų26.425%0.24813%0.129CC..Iπ-helixtrans-59.8-49179.9-177.2-178.9-178.6162.70113.4V100 M101 K109 Q157V100-K104 WeakPolarHBondContact O-CB 3.13Å; V100-K104 PolarHBondContact O-N 2.94Å; M101-K104 PolarHBondContact O-N 2.84Å; M101-K104 HydrophobicContact SD-CD 4.17Å; K104-K109 VanDerWaalsContact O-CB 3.27Å; K104-K109 WeakPolarHBondContact O-CB 3.29Å; K104-Q157 HydrophobicContact CB-CB 4.08Å; K104-Q157 HydrophobicContact CD-CB 3.93Å; K104-Q157 HydrophobicContact CD-CG 4.18Å; K104-Q157 HydrophobicContact CG-CB 4.1Å
105E97.6Very high97.1Very high38 Ų3824.7 Ų24.718%0.17812%0.123CC..Iπ-helixtrans-101.6-24.6-166.7-60.7-63.6160.300113.7K81 M101 K109 A110K81-E105 HydrophobicContact CB-CB 3.81Å; K81-E105 HydrophobicContact CB-CG 4.04Å; K81-E105 HydrophobicContact CG-CB 4.41Å; M101-E105 WeakPolarHBondContact O-CB 3.28Å; M101-E105 PolarHBondContact O-N 2.7Å; E105-K109 WeakPolarHBondContact O-CB 3.48Å; E105-K109 VanDerWaalsContact OE2-CD 3.23Å; E105-K109 WeakPolarHBondContact OE2-CD 3.27Å; E105-A110 PolarHBondContact O-N 2.97Å
106I97.7Very high97.2Very high0 Ų026.8 Ų26.80%013%0.132CC..Iπ-helixtrans-109.5-67.3-176.2-48.8-64000110.2F74 E77 Y78 V82 C102 F108 A110 F111F74-I106 HydrophobicContact CB-CG2 4.39Å; F74-I106 HydrophobicContact CD2-CG2 4.28Å; E77-I106 HydrophobicContact CB-CD1 3.79Å; Y78-I106 HydrophobicContact CD2-CD1 4.39Å; Y78-I106 HydrophobicContact CD2-CG1 3.86Å; V82-I106 HydrophobicContact CG2-CD1 4.32Å; V82-I106 HydrophobicContact CG2-CG1 3.75Å; C102-I106 WeakPolarHBondContact O-CA 3.34Å; C102-I106 VanDerWaalsContact O-CB 3.24Å; C102-I106 WeakPolarHBondContact O-CB 3.26Å; C102-I106 PolarHBondContact O-N 3.02Å; I106-F108 PolarHBondContact O-N 3.13Å; I106-A110 PolarHBondContact O-N 3.22Å; I106-F111 WeakPolarHBondContact O-CB 3.46Å; I106-F111 PolarHBondContact O-N 2.96Å
107K97.2Very high97.2Very high44 Ų4433.3 Ų33.319%0.19117%0.167CC..Iπ-helixtrans-68.3-36.1-170.3-57.4-163.2-167.573.70113.6M37 C102 N103 F111M37-K107 HydrophobicContact CE-CG 4.43Å; C102-K107 PolarHBondContact O-N 3.46Å; C102-K107 PolarHBondContact SG-NZ 3.14Å; N103-K107 VanDerWaalsContact OD1-CD 3.29Å; N103-K107 WeakPolarHBondContact OD1-CD 3.32Å; N103-K107 PolarHBondContact OD1-NZ 3.23Å; K107-F111 WeakPolarHBondContact O-CB 3.48Å; K107-F111 VanDerWaalsContact O-CD1 3.31Å; K107-F111 WeakPolarHBondContact O-CD1 3.3Å
108F97.8Very high97.1Very high0 Ų036.3 Ų36.30%018%0.183CC..Iπ-helixtrans-114.115.6-177.4-59.2-73.6000113.1N103 I106 L112 T125 L155 L158 Q162 V166 F168N103-F108 HydrophobicContact CB-CD2 4.03Å; N103-F108 HydrophobicContact CB-CE2 4.19Å; N103-F108 WeakPolarHBondContact O-CB 3.24Å; N103-F108 VanDerWaalsContact O-CD2 3.32Å; N103-F108 WeakPolarHBondContact O-CD2 3.38Å; N103-F108 PolarHBondContact O-N 3.11Å; I106-F108 PolarHBondContact O-N 3.13Å; F108-L112 WeakPolarHBondContact O-CD2 3.36Å; F108-T125 HydrophobicContact CE1-CG2 4.11Å; F108-T125 HydrophobicContact CZ-CG2 3.92Å; F108-L155 HydrophobicContact CD2-CD2 4.23Å; F108-L155 HydrophobicContact CE2-CD2 3.44Å; F108-L155 VanDerWaalsContact CE2-CD2 3.44Å; F108-L155 HydrophobicContact CZ-CD2 4.08Å; F108-L158 HydrophobicContact CB-CD1 4.43Å; F108-L158 HydrophobicContact CB-CD2 3.41Å; F108-L158 VanDerWaalsContact CB-CD2 3.41Å; F108-L158 HydrophobicContact CD1-CD1 4.19Å; F108-L158 HydrophobicContact CD2-CD1 3.72Å; F108-L158 HydrophobicContact CD2-CD2 3.6Å; F108-L158 HydrophobicContact CD2-CG 4.24Å; F108-L158 HydrophobicContact CE1-CD1 4.43Å; F108-L158 HydrophobicContact CE2-CD1 3.99Å; F108-L158 HydrophobicContact CG-CD1 3.83Å; F108-L158 HydrophobicContact CG-CD2 3.63Å; F108-L158 HydrophobicContact CG-CG 4.4Å; F108-L158 HydrophobicContact CZ-CD1 4.34Å; F108-Q162 PolarHBondContact O-NE2 3.03Å; F108-V166 HydrophobicContact CD1-CG1 4.29Å; F108-V166 HydrophobicContact CD1-CG2 3.48Å; F108-V166 VanDerWaalsContact CD1-CG2 3.48Å; F108-V166 HydrophobicContact CE1-CB 4.36Å; F108-V166 HydrophobicContact CE1-CG1 3.62Å; F108-V166 HydrophobicContact CE1-CG2 3.67Å; F108-V166 HydrophobicContact CZ-CG1 4.46Å; F108-F168 HydrophobicContact CE1-CE1 4.16Å; F108-F168 HydrophobicContact CE1-CZ 4.3Å; F108-F168 AromaticContact CZ-CE1 3.78Å; F108-F168 HydrophobicContact CZ-CE1 3.78Å; F108-F168 HydrophobicContact CZ-CZ 4.02Å
109K97.4Very high97.1Very high99 Ų9938.3 Ų38.343%0.4320%0.204SC..Iπ-helixtrans-130.1-79.2171.4-174.1-169.2-168.581.40110.3K104 E105 F111 L112 D113K104-K109 VanDerWaalsContact O-CB 3.27Å; K104-K109 WeakPolarHBondContact O-CB 3.29Å; E105-K109 WeakPolarHBondContact O-CB 3.48Å; E105-K109 VanDerWaalsContact OE2-CD 3.23Å; E105-K109 WeakPolarHBondContact OE2-CD 3.27Å; K109-F111 PolarHBondContact O-N 3.26Å; K109-L112 PolarHBondContact O-N 2.95Å; K109-D113 WeakPolarHBondContact O-CB 3.47Å; K109-D113 PolarHBondContact O-N 2.96Å
110A97.7Very high97.2Very high17 Ų1736.8 Ų36.814%0.1420%0.197CC..Iπ-helixtrans-56.2-46.9-179.300000113.4F74 E105 I106 H114F74-A110 HydrophobicContact CD1-CB 4.11Å; F74-A110 HydrophobicContact CE1-CB 4Å; F74-A110 HydrophobicContact CG-CB 4.42Å; F74-A110 HydrophobicContact CZ-CB 4.21Å; E105-A110 PolarHBondContact O-N 2.97Å; I106-A110 PolarHBondContact O-N 3.22Å; A110-H114 VanDerWaalsContact O-CB 3.29Å; A110-H114 WeakPolarHBondContact O-CB 3.41Å; A110-H114 PolarHBondContact O-N 2.82Å
111F98.2Very high97.3Very high0 Ų039.8 Ų39.80%021%0.213CC..Hα-helixtrans-69.5-40.8177.3174.4-119.4000112.8V9 I35 M37 F74 I106 K107 K109 H114 A115 V123V9-F111 HydrophobicContact CG1-CE2 3.88Å; V9-F111 HydrophobicContact CG1-CZ 3.72Å; I35-F111 HydrophobicContact CB-CE2 3.78Å; I35-F111 HydrophobicContact CB-CZ 4.42Å; I35-F111 HydrophobicContact CD1-CE2 4.24Å; I35-F111 HydrophobicContact CG1-CE2 4.49Å; I35-F111 HydrophobicContact CG2-CD2 4.37Å; I35-F111 HydrophobicContact CG2-CE2 3.8Å; M37-F111 HydrophobicContact CE-CD1 4.44Å; M37-F111 HydrophobicContact CE-CG 4.36Å; M37-F111 HydrophobicContact CG-CD2 4.16Å; M37-F111 HydrophobicContact SD-CB 3.62Å; M37-F111 HydrophobicContact SD-CD1 4.27Å; M37-F111 HydrophobicContact SD-CD2 3.84Å; M37-F111 HydrophobicContact SD-CG 3.64Å; F74-F111 HydrophobicContact CE2-CB 4.06Å; I106-F111 WeakPolarHBondContact O-CB 3.46Å; I106-F111 PolarHBondContact O-N 2.96Å; K107-F111 WeakPolarHBondContact O-CB 3.48Å; K107-F111 VanDerWaalsContact O-CD1 3.31Å; K107-F111 WeakPolarHBondContact O-CD1 3.3Å; K109-F111 PolarHBondContact O-N 3.26Å; F111-H114 PolarHBondContact O-N 2.82Å; F111-A115 WeakPolarHBondContact O-CB 3.47Å; F111-A115 PolarHBondContact O-N 2.81Å; F111-V123 HydrophobicContact CE1-CB 4.09Å; F111-V123 HydrophobicContact CE1-CG1 4.21Å
112L98Very high97.3Very high12 Ų1242.1 Ų42.16%0.06322%0.221CC..Hα-helixtrans-59.7-51.3175.6176.261.2000110.6F108 K109 H114 A115 M116 V123 Q162 K165F108-L112 WeakPolarHBondContact O-CD2 3.36Å; K109-L112 PolarHBondContact O-N 2.95Å; L112-H114 VanDerWaalsContact C-N 3.32Å; L112-H114 PolarHBondContact O-N 3.37Å; L112-A115 PolarHBondContact O-N 2.92Å; L112-M116 HydrophobicContact CD1-CE 3.82Å; L112-M116 HydrophobicContact CD1-CG 4.09Å; L112-M116 HydrophobicContact CD1-SD 4.45Å; L112-M116 HydrophobicContact CG-CG 4.44Å; L112-M116 VanDerWaalsContact O-CG 3.27Å; L112-M116 WeakPolarHBondContact O-CG 3.31Å; L112-M116 PolarHBondContact O-N 2.84Å; L112-V123 HydrophobicContact CD1-CB 4.41Å; L112-V123 HydrophobicContact CD1-CG1 3.78Å; L112-V123 HydrophobicContact CD1-CG2 3.75Å; L112-Q162 HydrophobicContact CD2-CB 4.35Å; L112-Q162 HydrophobicContact CD2-CG 4.12Å; L112-K165 HydrophobicContact CD1-CB 3.89Å
113D97.6Very high97.4Very high88 Ų8842 Ų4247%0.47122%0.22SC..Hα-helixtrans-60-43.1179-66.5-20.7000111K109 M116 N117K109-D113 WeakPolarHBondContact O-CB 3.47Å; K109-D113 PolarHBondContact O-N 2.96Å; D113-M116 PolarHBondContact O-N 2.94Å; D113-N117 WeakPolarHBondContact O-CB 3.43Å; D113-N117 VanDerWaalsContact O-CG 3.23Å; D113-N117 PolarHBondContact O-N 2.75Å; D113-N117 PolarHBondContact O-ND2 3.06Å
114H97.4Very high97.4Very high61 Ų6141.8 Ų41.828%0.28222%0.219SC..Hα-helixtrans-60.4-47175.2-175.983000112.2F74 A110 F111 L112 N117 L118F74-H114 HydrophobicContact CZ-CB 3.93Å; A110-H114 VanDerWaalsContact O-CB 3.29Å; A110-H114 WeakPolarHBondContact O-CB 3.41Å; A110-H114 PolarHBondContact O-N 2.82Å; F111-H114 PolarHBondContact O-N 2.82Å; L112-H114 VanDerWaalsContact C-N 3.32Å; L112-H114 PolarHBondContact O-N 3.37Å; H114-N117 PolarHBondContact O-N 2.79Å; H114-L118 WeakPolarHBondContact O-CG 3.25Å; H114-L118 PolarHBondContact O-N 3.49Å
115A97.9Very high97.5Very high0 Ų039.3 Ų39.30%021%0.209CC..Hα-helixtrans-64.5-42.9178.800000112.5V9 F111 L112 N117 L118 G119 A120 V123V9-A115 HydrophobicContact CB-CB 3.84Å; V9-A115 HydrophobicContact CG1-CB 3.92Å; V9-A115 HydrophobicContact CG2-CB 4.09Å; F111-A115 WeakPolarHBondContact O-CB 3.47Å; F111-A115 PolarHBondContact O-N 2.81Å; L112-A115 PolarHBondContact O-N 2.92Å; A115-N117 VanDerWaalsContact C-N 3.29Å; A115-N117 PolarHBondContact O-N 3.5Å; A115-L118 WeakPolarHBondContact O-CB 3.32Å; A115-L118 PolarHBondContact O-N 2.76Å; A115-L118 VanDerWaalsContact O-N 3.07Å; A115-G119 PolarHBondContact O-N 2.95Å; A115-A120 HydrophobicContact CB-CB 4.11Å; A115-A120 WeakPolarHBondContact O-CB 3.4Å; A115-A120 PolarHBondContact O-N 2.89Å; A115-A120 VanDerWaalsContact O-N 3.09Å; A115-V123 HydrophobicContact CB-CG1 3.37Å
116M97.5Very high97.5Very high55 Ų5538.2 Ų38.227%0.27121%0.208SC..Hα-helixtrans-60.8-39.4176.1-66-61.7108.700111.2L112 D113 L118 G119 A120 V123 K165L112-M116 HydrophobicContact CD1-CE 3.82Å; L112-M116 HydrophobicContact CD1-CG 4.09Å; L112-M116 HydrophobicContact CD1-SD 4.45Å; L112-M116 HydrophobicContact CG-CG 4.44Å; L112-M116 VanDerWaalsContact O-CG 3.27Å; L112-M116 WeakPolarHBondContact O-CG 3.31Å; L112-M116 PolarHBondContact O-N 2.84Å; D113-M116 PolarHBondContact O-N 2.94Å; M116-L118 VanDerWaalsContact C-N 3.25Å; M116-L118 PolarHBondContact O-N 3.21Å; M116-G119 PolarHBondContact O-N 2.68Å; M116-A120 HydrophobicContact CE-CB 3.99Å; M116-A120 WeakPolarHBondContact CE-O 3.2Å; M116-A120 VanDerWaalsContact SD-O 3.42Å; M116-V123 HydrophobicContact CE-CG1 4.23Å; M116-K165 HydrophobicContact CE-CB 4.43Å; M116-K165 HydrophobicContact SD-CD 4.34Å; M116-K165 HydrophobicContact SD-CG 4.41Å
117N95.9Very high97.5Very high143 Ų14339 Ų3977%0.76521%0.211SC*.Hα-helixtrans-66-24.5175.4-72.2-32.8000113.6D113 H114 A115 G119D113-N117 WeakPolarHBondContact O-CB 3.43Å; D113-N117 VanDerWaalsContact O-CG 3.23Å; D113-N117 PolarHBondContact O-N 2.75Å; D113-N117 PolarHBondContact O-ND2 3.06Å; H114-N117 PolarHBondContact O-N 2.79Å; A115-N117 VanDerWaalsContact C-N 3.29Å; A115-N117 PolarHBondContact O-N 3.5Å; N117-G119 PolarHBondContact O-N 2.82Å
118L93.3Very high97.6Very high76 Ų7637 Ų3740%0.39820%0.203SC..THydrogen-bonded Turntrans-81.32.9171.4-66.5174.4000113.3I35 H114 A115 M116I35-L118 HydrophobicContact CD1-CD1 3.68Å; H114-L118 WeakPolarHBondContact O-CG 3.25Å; H114-L118 PolarHBondContact O-N 3.49Å; A115-L118 WeakPolarHBondContact O-CB 3.32Å; A115-L118 PolarHBondContact O-N 2.76Å; A115-L118 VanDerWaalsContact O-N 3.07Å; M116-L118 VanDerWaalsContact C-N 3.25Å; M116-L118 PolarHBondContact O-N 3.21Å
119G96.4Very high97.6Very high46 Ų4637 Ų3747%0.47420%0.203SC..THydrogen-bonded Turntrans78.428.8-178.700000113.5A115 M116 N117A115-G119 PolarHBondContact O-N 2.95Å; M116-G119 PolarHBondContact O-N 2.68Å; N117-G119 PolarHBondContact O-N 2.82Å
120A98Very high97.6Very high9 Ų934.5 Ų34.57%0.07419%0.19CC..  trans-73.2142.4170.400000111.3R7 V9 A115 M116R7-A120 HydrophobicContact CG-CB 4.44Å; V9-A120 HydrophobicContact CB-CB 4.18Å; V9-A120 HydrophobicContact CG2-CB 3.49Å; V9-A120 VanDerWaalsContact CG2-CB 3.49Å; A115-A120 HydrophobicContact CB-CB 4.11Å; A115-A120 WeakPolarHBondContact O-CB 3.4Å; A115-A120 PolarHBondContact O-N 2.89Å; A115-A120 VanDerWaalsContact O-N 3.09Å; M116-A120 HydrophobicContact CE-CB 3.99Å; M116-A120 WeakPolarHBondContact CE-O 3.2Å; M116-A120 VanDerWaalsContact SD-O 3.42Å
121D98.1Very high97.7Very high67 Ų6735.4 Ų35.436%0.35819%0.192SC..SBendtrans-83.9-35.5169.7-62.9-72.1000111.2I6 R7I6-D121 WeakPolarHBondContact CA-OD2 3.42Å; I6-D121 HydrophobicContact CG2-CB 3.83Å; R7-D121 PolarHBondContact N-OD2 3.01Å; R7-D121 PolarHBondContact O-N 2.97Å
122Y98.4Very high97.6Very high66 Ų6639.4 Ų39.426%0.25921%0.211SC..EExtended strand (participates in β ladder)trans-139.5154.9179.2-61-84.9000112.1I6 R7 V8 V9 S164 K165 M167I6-Y122 HydrophobicContact CG2-CD2 3.65Å; I6-Y122 HydrophobicContact CG2-CE2 3.77Å; R7-Y122 PolarHBondContact O-N 2.95Å; V8-Y122 WeakPolarHBondContact CA-O 3.32Å; V9-Y122 PolarHBondContact N-O 2.78Å; Y122-S164 WeakPolarHBondContact CE1-O 3.27Å; Y122-K165 CarbonylContact C-O 3.6Å; Y122-K165 VanDerWaalsContact CA-O 3.31Å; Y122-K165 WeakPolarHBondContact CA-O 3.23Å; Y122-M167 HydrophobicContact CD1-CG 4.18Å; Y122-M167 HydrophobicContact CD2-SD 4.27Å; Y122-M167 HydrophobicContact CG-CG 4.13Å; Y122-M167 HydrophobicContact CG-SD 3.98Å
123V98.6Very high97.5Very high0 Ų043.3 Ų43.30%023%0.225CC..EExtended strand (participates in β ladder)trans-104.6145.7160.8-60.50000110.4V9 F111 L112 A115 M116 K165 V166 M167V9-V123 CarbonylContact O-C 3.19Å; V9-V123 VanDerWaalsContact O-CA 3.25Å; V9-V123 WeakPolarHBondContact O-CA 3.41Å; F111-V123 HydrophobicContact CE1-CB 4.09Å; F111-V123 HydrophobicContact CE1-CG1 4.21Å; L112-V123 HydrophobicContact CD1-CB 4.41Å; L112-V123 HydrophobicContact CD1-CG1 3.78Å; L112-V123 HydrophobicContact CD1-CG2 3.75Å; A115-V123 HydrophobicContact CB-CG1 3.37Å; M116-V123 HydrophobicContact CE-CG1 4.23Å; V123-K165 PolarHBondContact N-O 3Å; V123-V166 HydrophobicContact CG2-CB 4.45Å; V123-V166 HydrophobicContact CG2-CG2 3.71Å; V123-V166 CarbonylContact O-C 3.55Å; V123-V166 VanDerWaalsContact O-CA 3.31Å; V123-V166 WeakPolarHBondContact O-CA 3.43Å; V123-M167 PolarHBondContact O-N 2.96Å
124A98.7Very high97.4Very high0 Ų042.2 Ų42.20%022%0.217CC..EExtended strand (participates in β ladder)trans-125.4150.8173.200000111.4V8 V9 V10 G11 T21 L25 M167 P169V8-A124 HydrophobicContact CG1-CB 3.72Å; V9-A124 PolarHBondContact O-N 3.07Å; V10-A124 CarbonylContact C-O 3.53Å; V10-A124 WeakPolarHBondContact CA-O 3.22Å; V10-A124 HydrophobicContact CG2-CB 4.16Å; G11-A124 PolarHBondContact N-O 3.2Å; T21-A124 HydrophobicContact CG2-CB 4.14Å; L25-A124 HydrophobicContact CD1-CB 3.56Å; A124-M167 VanDerWaalsContact CA-O 3.3Å; A124-M167 WeakPolarHBondContact CA-O 3.01Å; A124-M167 HydrophobicContact CB-CB 4.1Å; A124-P169 HydrophobicContact CB-CG 4.34Å
125T98.3Very high97.2Very high5 Ų549.4 Ų49.43%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-141.2158.117563.80000109.8F108 H127 M167 F168F108-T125 HydrophobicContact CE1-CG2 4.11Å; F108-T125 HydrophobicContact CZ-CG2 3.92Å; T125-H127 WeakPolarHBondContact CB-ND1 3.39Å; T125-H127 PolarHBondContact O-N 3.27Å; T125-H127 PolarHBondContact OG1-ND1 2.91Å; T125-M167 PolarHBondContact N-O 3.16Å; T125-F168 WeakPolarHBondContact OG1-CD1 3.46Å; T125-F168 VanDerWaalsContact OG1-CE1 3.27Å; T125-F168 WeakPolarHBondContact OG1-CE1 3.41Å
126G97.7Very high96.9Very high15 Ų1555.8 Ų55.816%0.15529%0.285CS..  trans-7739.8173.400000113.7T21 I170T21-G126 VanDerWaalsContact OG1-CA 3.28Å; T21-G126 WeakPolarHBondContact OG1-CA 3.45Å; G126-I170 WeakPolarHBondContact O-CD1 3.37Å
127H98Very high96.5Very high16 Ų1655.5 Ų55.57%0.07430%0.296CS..  trans-83.7138.7173.8-75.491.4000111.4N103 T125 A129 Q151 L155 F168N103-H127 PolarHBondContact OD1-NE2 2.7Å; T125-H127 WeakPolarHBondContact CB-ND1 3.39Å; T125-H127 PolarHBondContact O-N 3.27Å; T125-H127 PolarHBondContact OG1-ND1 2.91Å; H127-A129 PolarHBondContact O-N 3.38Å; H127-Q151 PolarHBondContact CD2-OE1 3.41Å; H127-L155 HydrophobicContact CB-CD1 4.13Å; H127-F168 HydrophobicContact CB-CD1 3.8Å; H127-F168 HydrophobicContact CB-CE1 3.81Å
128Y97.9Very high96.3Very high3 Ų350.7 Ų50.71%0.01227%0.269CS..SBendtrans-80.172.3170.6-68.7-93.4000110.5D17 D146 K149 D150 Q151 I170 I173 K175 V178D17-Y128 HydrophobicContact CB-CE2 4.46Å; D17-Y128 PolarHBondContact OD1-OH 2.95Å; Y128-D146 HydrophobicContact CD1-CB 4.39Å; Y128-K149 HydrophobicContact CD1-CB 3.99Å; Y128-K149 HydrophobicContact CD2-CB 4Å; Y128-K149 HydrophobicContact CE1-CB 4.45Å; Y128-K149 HydrophobicContact CE2-CB 4.45Å; Y128-K149 HydrophobicContact CG-CB 3.76Å; Y128-D150 CarbonylContact O-C 3.59Å; Y128-D150 WeakPolarHBondContact O-CA 3.19Å; Y128-Q151 PolarHBondContact O-N 3Å; Y128-I170 HydrophobicContact CD2-CD1 4.21Å; Y128-I170 HydrophobicContact CE1-CD1 4.18Å; Y128-I170 HydrophobicContact CE2-CD1 3.78Å; Y128-I173 WeakPolarHBondContact CE1-O 3.23Å; Y128-K175 HydrophobicContact CE1-CB 4.46Å; Y128-K175 HydrophobicContact CE2-CD 4.35Å; Y128-K175 WeakPolarHBondContact OH-CD 2.89Å; Y128-V178 HydrophobicContact CE1-CG2 4.24Å; Y128-V178 WeakPolarHBondContact OH-CG2 3.47Å
129A98.4Very high96.5Very high0 Ų047.1 Ų47.10%025%0.25CC..EExtended strand (participates in β ladder)trans-143.7164.1173.300000108.4H127 T152 L155 F168 G171H127-A129 PolarHBondContact O-N 3.38Å; A129-T152 HydrophobicContact CB-CG2 3.87Å; A129-L155 HydrophobicContact CB-CD1 3.56Å; A129-F168 HydrophobicContact CB-CD2 3.77Å; A129-F168 HydrophobicContact CB-CE2 3.94Å; A129-F168 HydrophobicContact CB-CG 4.29Å; A129-F168 WeakPolarHBondContact O-CB 3.28Å; A129-G171 WeakPolarHBondContact O-CA 3.45Å
130R98.5Very high96.5Very high45 Ų4546.9 Ų46.917%0.1724%0.237CC..EExtended strand (participates in β ladder)trans-125155.5179-69.6-179.4-61.2157.81.8109.6L142 R143 G171 D172 D350R130-L142 HydrophobicContact CB-CB 3.86Å; R130-L142 PolarHBondContact N-O 2.57Å; R130-L142 PolarHBondContact O-N 3.18Å; R130-R143 PolarHBondContact NE-O 2.68Å; R130-R143 PolarHBondContact NH2-O 3.35Å; R130-G171 VanDerWaalsContact CG-C 3.44Å; R130-G171 WeakPolarHBondContact CG-O 3.27Å; R130-D172 VanDerWaalsContact CD-CG 3.45Å; R130-D172 WeakPolarHBondContact CD-OD1 3.39Å; R130-D172 IonicContact NE-OD1 3.27Å; R130-D172 IonicContact NH1-OD1 3.05Å; R130-D350 IonicContact NH2-OD2 3.31Å; R130-D350 PolarHBondContact NH2-OD2 3.01Å
131I98Very high96.5Very high36 Ų3646.5 Ų46.519%0.18523%0.233CC..EExtended strand (participates in β ladder)trans-122.8122.4173.9-68.3167.4000107.5R133 V139 E140 L163 V166 F168I131-R133 HydrophobicContact CG2-CG 3.91Å; I131-V139 HydrophobicContact CG2-CB 4.21Å; I131-V139 HydrophobicContact CG2-CG1 4.48Å; I131-E140 WeakPolarHBondContact CA-O 3.46Å; I131-L163 HydrophobicContact CD1-CD2 3.95Å; I131-L163 HydrophobicContact CG1-CD2 4.17Å; I131-V166 HydrophobicContact CD1-CB 3.85Å; I131-V166 HydrophobicContact CD1-CG1 3.83Å; I131-V166 WeakPolarHBondContact CD1-O 3.25Å; I131-F168 HydrophobicContact CD1-CD2 3.72Å; I131-F168 HydrophobicContact CD1-CE2 3.67Å; I131-F168 HydrophobicContact CG1-CD2 3.74Å; I131-F168 HydrophobicContact CG1-CE2 3.86Å
132H97.4Very high96.5Very high84 Ų8444.6 Ų44.639%0.38922%0.223SC..EExtended strand (participates in β ladder)trans-95.6131.8167.3-173.963.5000108.9H134 V139 E140 L142H132-H134 AromaticContact CD2-CD2 3.87Å; H132-H134 AromaticContact CD2-CE1 3.61Å; H132-H134 AromaticContact CD2-NE2 3.52Å; H132-H134 AromaticContact NE2-CE1 3.77Å; H132-H134 AromaticContact NE2-ND1 3.88Å; H132-V139 CarbonylContact O-C 3.44Å; H132-V139 VanDerWaalsContact O-CA 3.27Å; H132-V139 WeakPolarHBondContact O-CA 3.34Å; H132-E140 HydrophobicContact CB-CB 4.33Å; H132-E140 PolarHBondContact N-O 3.42Å; H132-E140 PolarHBondContact O-N 3.34Å; H132-L142 HydrophobicContact CB-CD1 3.86Å; H132-L142 HydrophobicContact CB-CG 4.25Å
133R96.3Very high96.5Very high95 Ų9541.9 Ų41.936%0.35821%0.212SC..EExtended strand (participates in β ladder)trans-116.3118.7-178.9-59.9-179.3174.8-85.3-3.3108.1I131 V139 L163 S164 V166I131-R133 HydrophobicContact CG2-CG 3.91Å; R133-V139 HydrophobicContact CB-CG1 4.49Å; R133-V139 HydrophobicContact CG-CG1 4Å; R133-L163 PolarHBondContact NH2-O 2.95Å; R133-L163 VanDerWaalsContact NH2-O 3.16Å; R133-S164 PolarHBondContact NH1-O 3Å; R133-S164 PolarHBondContact NH2-O 3.39Å; R133-S164 VanDerWaalsContact NH2-O 3.14Å; R133-V166 PolarHBondContact NH2-O 3.36Å
134H95Very high96.5Very high65 Ų6541.9 Ų41.930%0.30121%0.213SC..  trans-83.2160.6177.5-65.7-92.1000111H132 D136 G137 H138 E140H132-H134 AromaticContact CD2-CD2 3.87Å; H132-H134 AromaticContact CD2-CE1 3.61Å; H132-H134 AromaticContact CD2-NE2 3.52Å; H132-H134 AromaticContact NE2-CE1 3.77Å; H132-H134 AromaticContact NE2-ND1 3.88Å; H134-D136 VanDerWaalsContact CB-OD1 3.24Å; H134-D136 WeakPolarHBondContact CB-OD1 3.37Å; H134-D136 PolarHBondContact O-N 2.72Å; H134-G137 PolarHBondContact O-N 2.77Å; H134-G137 VanDerWaalsContact O-N 3.13Å; H134-H138 HydrophobicContact CB-CB 4.15Å; H134-H138 AromaticContact CD2-CD2 3.5Å; H134-H138 PolarHBondContact N-O 3.48Å; H134-H138 AromaticContact NE2-CD2 3.84Å; H134-E140 IonicContact CE1-OE1 3.96Å; H134-E140 VanDerWaalsContact NE2-CD 3.25Å; H134-E140 IonicContact NE2-OE1 2.92Å; H134-E140 PolarHBondContact NE2-OE1 2.99Å; H134-E140 IonicContact NE2-OE2 3.82Å
135E92.7Very high96.4Very high212 Ų21244.2 Ų44.299%0.99123%0.226SC*.THydrogen-bonded Turntrans-65.1-25.9-178.4-65.2-175.117000113.3G137E135-G137 PolarHBondContact O-N 2.78Å
136D91.7Very high96.3Very high133 Ų13344.4 Ų44.471%0.71123%0.227SC*.THydrogen-bonded Turntrans-80.2-2.8177.165.40.2000113.6H134 H138H134-D136 VanDerWaalsContact CB-OD1 3.24Å; H134-D136 WeakPolarHBondContact CB-OD1 3.37Å; H134-D136 PolarHBondContact O-N 2.72Å; D136-H138 WeakPolarHBondContact OD1-CB 3.35Å; D136-H138 PolarHBondContact OD1-N 2.6Å
137G89.2Confident96Very high49 Ų4949.3 Ų49.351%0.50525%0.25SC..SBendtrans91.5-1.5-178.400000114.6H134 E135H134-G137 PolarHBondContact O-N 2.77Å; H134-G137 VanDerWaalsContact O-N 3.13Å; E135-G137 PolarHBondContact O-N 2.78Å
138H91.8Very high95.6Very high42 Ų4254.5 Ų54.519%0.19428%0.278CS..  trans-66.1146.6172.1-173.394.5000111.1H134 D136 N292 D295H134-H138 HydrophobicContact CB-CB 4.15Å; H134-H138 AromaticContact CD2-CD2 3.5Å; H134-H138 PolarHBondContact N-O 3.48Å; H134-H138 AromaticContact NE2-CD2 3.84Å; D136-H138 WeakPolarHBondContact OD1-CB 3.35Å; D136-H138 PolarHBondContact OD1-N 2.6Å; H138-N292 VanDerWaalsContact CE1-CB 3.44Å; H138-N292 WeakPolarHBondContact CE1-CB 3.4Å; H138-N292 PolarHBondContact CE1-ND2 2.85Å; H138-N292 PolarHBondContact CE1-OD1 3.24Å; H138-N292 PolarHBondContact ND1-OD1 2.81Å; H138-N292 PolarHBondContact NE2-ND2 3.05Å; H138-D295 IonicContact CE1-OD2 3.6Å; H138-D295 PolarHBondContact CE1-OD2 3.09Å; H138-D295 IonicContact NE2-OD2 3.61Å
139V96.8Very high95.4Very high1 Ų156.5 Ų56.51%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-128.6142.3176.9-56.10000111.4I131 H132 R133 Q160 L163 N292I131-V139 HydrophobicContact CG2-CB 4.21Å; I131-V139 HydrophobicContact CG2-CG1 4.48Å; H132-V139 CarbonylContact O-C 3.44Å; H132-V139 VanDerWaalsContact O-CA 3.27Å; H132-V139 WeakPolarHBondContact O-CA 3.34Å; R133-V139 HydrophobicContact CB-CG1 4.49Å; R133-V139 HydrophobicContact CG-CG1 4Å; V139-Q160 HydrophobicContact CG2-CG 3.96Å; V139-L163 HydrophobicContact CG2-CB 3.55Å; V139-N292 PolarHBondContact O-ND2 3.19Å; V139-N292 PolarHBondContact O-OD1 3.38Å
140E97.4Very high95.3Very high42 Ų4256.6 Ų56.620%0.19629%0.287CS..EExtended strand (participates in β ladder)trans-116.9140.2173.3-68.9170.8-175.400109.4I131 H132 H134 L142 V351I131-E140 WeakPolarHBondContact CA-O 3.46Å; H132-E140 HydrophobicContact CB-CB 4.33Å; H132-E140 PolarHBondContact N-O 3.42Å; H132-E140 PolarHBondContact O-N 3.34Å; H134-E140 IonicContact CE1-OE1 3.96Å; H134-E140 VanDerWaalsContact NE2-CD 3.25Å; H134-E140 IonicContact NE2-OE1 2.92Å; H134-E140 PolarHBondContact NE2-OE1 2.99Å; H134-E140 IonicContact NE2-OE2 3.82Å; E140-L142 HydrophobicContact CB-CD2 4.42Å; E140-V351 HydrophobicContact CB-CG1 4.28Å; E140-V351 HydrophobicContact CG-CG1 4.35Å
141M98.4Very high95.3Very high0 Ų056.7 Ų56.70%029%0.29CS..EExtended strand (participates in β ladder)trans-90.4121168.3-176.7166.867.400108.9T152 L155 L163 V291 C352M141-T152 HydrophobicContact CG-CG2 3.95Å; M141-T152 HydrophobicContact SD-CG2 4.38Å; M141-L155 HydrophobicContact CE-CB 3.98Å; M141-L155 WeakPolarHBondContact CE-O 3.47Å; M141-L155 HydrophobicContact SD-CB 3.51Å; M141-L155 VanDerWaalsContact SD-CB 3.51Å; M141-L155 HydrophobicContact SD-CD1 4.16Å; M141-L155 HydrophobicContact SD-CG 4.5Å; M141-L163 HydrophobicContact CB-CD1 3.95Å; M141-L163 HydrophobicContact CB-CD2 4.48Å; M141-L163 HydrophobicContact SD-CD2 4.27Å; M141-V291 HydrophobicContact CB-CG2 4.28Å; M141-V291 HydrophobicContact CE-CG2 4.46Å; M141-C352 HydrophobicContact CB-CB 4.37Å; M141-C352 HydrophobicContact CE-CB 3.63Å; M141-C352 WeakPolarHBondContact CE-SG 3.42Å; M141-C352 HydrophobicContact CG-CB 4.28Å; M141-C352 PolarHBondContact O-N 2.82Å
142L98.5Very high95.3Very high27 Ų2755 Ų5514%0.14128%0.281CS..EExtended strand (participates in β ladder)trans-107.3152.4179.1-58.7-178.7000110.6R130 H132 E140 T152 D350 V351R130-L142 HydrophobicContact CB-CB 3.86Å; R130-L142 PolarHBondContact N-O 2.57Å; R130-L142 PolarHBondContact O-N 3.18Å; H132-L142 HydrophobicContact CB-CD1 3.86Å; H132-L142 HydrophobicContact CB-CG 4.25Å; E140-L142 HydrophobicContact CB-CD2 4.42Å; L142-T152 WeakPolarHBondContact O-CG2 3.48Å; L142-D350 CarbonylContact C-O 3.57Å; L142-D350 VanDerWaalsContact CA-O 3.29Å; L142-D350 WeakPolarHBondContact CA-O 3.37Å; L142-D350 HydrophobicContact CD2-CB 4.43Å; L142-V351 HydrophobicContact CD2-CB 4.18Å; L142-V351 HydrophobicContact CD2-CG2 3.6Å
143R98.4Very high95.3Very high9 Ų951 Ų513%0.03426%0.262CS..EExtended strand (participates in β ladder)trans-53.6144.8169.9-67.2178.5-175.8-75.810.4111.2R130 D150 K307 D314 Y347 G349 D350R130-R143 PolarHBondContact NE-O 2.68Å; R130-R143 PolarHBondContact NH2-O 3.35Å; R143-D150 IonicContact NH1-OD2 3.59Å; R143-D150 PolarHBondContact NH1-OD2 3.24Å; R143-K307 VanDerWaalsContact NH1-NZ 3.11Å; R143-D314 IonicContact CZ-OD1 2.95Å; R143-D314 IonicContact CZ-OD2 2.77Å; R143-D314 IonicContact NH1-OD1 2.67Å; R143-D314 IonicContact NH2-OD1 3.99Å; R143-D314 PolarHBondContact NH2-OD1 2.86Å; R143-D314 IonicContact NH2-OD2 2.78Å; R143-D314 PolarHBondContact NH2-OD2 3.09Å; R143-Y347 HydrophobicContact CG-CD1 4.23Å; R143-Y347 HydrophobicContact CG-CE1 4.01Å; R143-Y347 VanDerWaalsContact NH1-CZ 3.29Å; R143-Y347 VanDerWaalsContact NH2-CD1 3.28Å; R143-Y347 VanDerWaalsContact NH2-CD2 3.26Å; R143-G349 PolarHBondContact NE-O 3.34Å; R143-D350 WeakPolarHBondContact CG-O 3.45Å; R143-D350 PolarHBondContact N-O 2.63Å
144G97.9Very high95.3Very high1 Ų147.7 Ų47.71%0.0125%0.251CS..  trans-63148.7164.400000110.9D146 D150 G171G144-D146 VanDerWaalsContact C-N 3.27Å; G144-D146 PolarHBondContact O-N 2.9Å; G144-D150 PolarHBondContact N-OD1 3.45Å; G144-G171 WeakPolarHBondContact CA-O 3.43Å
145V97Very high95.5Very high48 Ų4844.6 Ų44.629%0.29124%0.237SC..SBendtrans-65.6-32.5-179.6-61.20000112.4N147 G171V145-N147 PolarHBondContact O-N 2.94Å; V145-N147 VanDerWaalsContact O-N 3.07Å; V145-G171 PolarHBondContact N-O 3.22Å
146D95.3Very high95.8Very high9 Ų934.5 Ų34.55%0.04819%0.19CC..  trans-74.493.7170.2-172.5-27.9000109.8Y128 G144 N148 K149 D150 E174 K175Y128-D146 HydrophobicContact CD1-CB 4.39Å; G144-D146 VanDerWaalsContact C-N 3.27Å; G144-D146 PolarHBondContact O-N 2.9Å; D146-N148 PolarHBondContact O-N 3.2Å; D146-N148 VanDerWaalsContact O-N 3.09Å; D146-N148 WeakPolarHBondContact OD1-CA 3.24Å; D146-N148 WeakPolarHBondContact OD1-CB 3.39Å; D146-N148 PolarHBondContact OD1-N 3.16Å; D146-K149 HydrophobicContact CB-CB 4.06Å; D146-K149 CarbonylContact O-C 3.53Å; D146-K149 PolarHBondContact O-N 3.03Å; D146-K149 PolarHBondContact OD1-N 3.24Å; D146-K149 VanDerWaalsContact OD1-N 3.12Å; D146-K149 VanDerWaalsContact OD2-CG 3.27Å; D146-K149 WeakPolarHBondContact OD2-CG 3.36Å; D146-D150 PolarHBondContact O-N 3.12Å; D146-E174 WeakPolarHBondContact CA-OE2 3.47Å; D146-E174 WeakPolarHBondContact CB-OE2 3.41Å; D146-K175 VanDerWaalsContact OD2-CB 3.28Å; D146-K175 WeakPolarHBondContact OD2-CB 3.11Å; D146-K175 PolarHBondContact OD2-N 3.34Å
147N90.9Very high96Very high118 Ų11828.6 Ų28.663%0.63116%0.158SC*.THydrogen-bonded Turntrans-59.5-21.9-179.9-77.4-48.7000114.1V145 K149V145-N147 PolarHBondContact O-N 2.94Å; V145-N147 VanDerWaalsContact O-N 3.07Å; N147-K149 VanDerWaalsContact C-N 3.34Å
148N90.1Very high96.4Very high125 Ų12526.3 Ų26.367%0.66813%0.134SC*.THydrogen-bonded Turntrans-81.5-19.6176.9-65.9-54.4000112.4D146 Y310 R311D146-N148 PolarHBondContact O-N 3.2Å; D146-N148 VanDerWaalsContact O-N 3.09Å; D146-N148 WeakPolarHBondContact OD1-CA 3.24Å; D146-N148 WeakPolarHBondContact OD1-CB 3.39Å; D146-N148 PolarHBondContact OD1-N 3.16Å; N148-Y310 PolarHBondContact O-OH 2.92Å; N148-R311 PolarHBondContact O-NE 2.99Å
149K94.4Very high96.6Very high46 Ų4626.1 Ų26.120%0.214%0.137CC..THydrogen-bonded Turntrans-110-20.3179.5-65.8-63.2-165.2157.60114.1Y128 D146 N147 Q151 K175 D194 Y310Y128-K149 HydrophobicContact CD1-CB 3.99Å; Y128-K149 HydrophobicContact CD2-CB 4Å; Y128-K149 HydrophobicContact CE1-CB 4.45Å; Y128-K149 HydrophobicContact CE2-CB 4.45Å; Y128-K149 HydrophobicContact CG-CB 3.76Å; D146-K149 HydrophobicContact CB-CB 4.06Å; D146-K149 CarbonylContact O-C 3.53Å; D146-K149 PolarHBondContact O-N 3.03Å; D146-K149 PolarHBondContact OD1-N 3.24Å; D146-K149 VanDerWaalsContact OD1-N 3.12Å; D146-K149 VanDerWaalsContact OD2-CG 3.27Å; D146-K149 WeakPolarHBondContact OD2-CG 3.36Å; N147-K149 VanDerWaalsContact C-N 3.34Å; K149-Q151 WeakPolarHBondContact O-CG 3.42Å; K149-Q151 PolarHBondContact O-N 3.48Å; K149-Q151 VanDerWaalsContact O-N 3.14Å; K149-K175 HydrophobicContact CG-CB 4.01Å; K149-D194 IonicContact NZ-OD2 3.46Å; K149-D194 PolarHBondContact NZ-OD2 3.44Å; K149-Y310 PolarHBondContact O-OH 2.67Å
150D96.3Very high96.6Very high1 Ų129.2 Ų29.21%0.00515%0.151CC..  trans-30.5111.5177.9167.335.8000113.1Y128 R143 G144 D146 T152 K307 Y310Y128-D150 CarbonylContact O-C 3.59Å; Y128-D150 WeakPolarHBondContact O-CA 3.19Å; R143-D150 IonicContact NH1-OD2 3.59Å; R143-D150 PolarHBondContact NH1-OD2 3.24Å; G144-D150 PolarHBondContact N-OD1 3.45Å; D146-D150 PolarHBondContact O-N 3.12Å; D150-T152 VanDerWaalsContact CG-OG1 3.28Å; D150-T152 WeakPolarHBondContact OD1-CB 3.31Å; D150-T152 WeakPolarHBondContact OD1-CG2 2.93Å; D150-T152 PolarHBondContact OD1-N 3.09Å; D150-T152 VanDerWaalsContact OD1-N 3.12Å; D150-T152 PolarHBondContact OD1-OG1 3.33Å; D150-T152 PolarHBondContact OD2-OG1 3.29Å; D150-K307 IonicContact OD2-NZ 2.72Å; D150-K307 PolarHBondContact OD2-NZ 3.22Å; D150-Y310 VanDerWaalsContact O-CE2 3.31Å; D150-Y310 WeakPolarHBondContact O-CE2 3.45Å
151Q97.2Very high96.4Very high47 Ų4734.5 Ų34.522%0.2218%0.176CC..  trans-103.78.7-174.6-62.9-178-61.600113.6H127 Y128 K149 Y153 F154 L155H127-Q151 PolarHBondContact CD2-OE1 3.41Å; Y128-Q151 PolarHBondContact O-N 3Å; K149-Q151 WeakPolarHBondContact O-CG 3.42Å; K149-Q151 PolarHBondContact O-N 3.48Å; K149-Q151 VanDerWaalsContact O-N 3.14Å; Q151-Y153 PolarHBondContact O-N 3Å; Q151-Y153 VanDerWaalsContact O-N 3.07Å; Q151-F154 HydrophobicContact CB-CD2 4.29Å; Q151-F154 PolarHBondContact O-N 3.48Å; Q151-L155 PolarHBondContact O-N 3.26Å
152T98.2Very high96.3Very high0 Ų036 Ų360%018%0.183CC..G310 helixtrans-53.9-30.1174.652.50000112.8A129 M141 L142 D150 F154 L155 N156 Y347 C352A129-T152 HydrophobicContact CB-CG2 3.87Å; M141-T152 HydrophobicContact CG-CG2 3.95Å; M141-T152 HydrophobicContact SD-CG2 4.38Å; L142-T152 WeakPolarHBondContact O-CG2 3.48Å; D150-T152 VanDerWaalsContact CG-OG1 3.28Å; D150-T152 WeakPolarHBondContact OD1-CB 3.31Å; D150-T152 WeakPolarHBondContact OD1-CG2 2.93Å; D150-T152 PolarHBondContact OD1-N 3.09Å; D150-T152 VanDerWaalsContact OD1-N 3.12Å; D150-T152 PolarHBondContact OD1-OG1 3.33Å; D150-T152 PolarHBondContact OD2-OG1 3.29Å; T152-F154 PolarHBondContact O-N 3.3Å; T152-L155 CarbonylContact O-C 3.51Å; T152-L155 PolarHBondContact O-N 3.37Å; T152-N156 PolarHBondContact O-N 3.04Å; T152-N156 VanDerWaalsContact O-N 3.17Å; T152-Y347 VanDerWaalsContact OG1-CE1 3.27Å; T152-Y347 WeakPolarHBondContact OG1-CE1 3.48Å; T152-Y347 PolarHBondContact OG1-OH 3.46Å; T152-C352 HydrophobicContact CG2-CB 4.2Å
153Y97.9Very high96.3Very high0 Ų034.7 Ų34.70%018%0.176CC..G310 helixtrans-54.3-39.3173.7-177.9-96.5000112.9N97 Q151 L155 N156 K307 F308 Y310 A343 V345 Y347N97-Y153 WeakPolarHBondContact ND2-CE1 3.49Å; Q151-Y153 PolarHBondContact O-N 3Å; Q151-Y153 VanDerWaalsContact O-N 3.07Å; Y153-L155 VanDerWaalsContact C-N 3.35Å; Y153-N156 PolarHBondContact O-ND2 2.98Å; Y153-K307 HydrophobicContact CD2-CB 3.96Å; Y153-K307 HydrophobicContact CE2-CB 4.18Å; Y153-F308 PolarHBondContact OH-O 3.37Å; Y153-Y310 HydrophobicContact CD1-CD2 4.34Å; Y153-Y310 HydrophobicContact CD1-CG 4.43Å; Y153-Y310 HydrophobicContact CG-CD2 4.46Å; Y153-A343 HydrophobicContact CE2-CB 4.42Å; Y153-A343 WeakPolarHBondContact CE2-O 3.38Å; Y153-A343 PolarHBondContact OH-O 3.18Å; Y153-V345 HydrophobicContact CD2-CB 3.91Å; Y153-V345 HydrophobicContact CD2-CG2 3.37Å; Y153-V345 HydrophobicContact CE2-CB 4.3Å; Y153-V345 HydrophobicContact CE2-CG2 3.57Å; Y153-V345 HydrophobicContact CG-CG2 4.11Å; Y153-Y347 PolarHBondContact N-OH 2.73Å
154F97.6Very high96.2Very high26 Ų2635.7 Ų35.711%0.11419%0.185CC..G310 helixtrans-86.3-8.8179.5-57.4-73.9000113.2D99 V100 N103 Q151 T152 Y310D99-F154 HydrophobicContact CB-CD1 3.72Å; D99-F154 HydrophobicContact CB-CE1 4.14Å; D99-F154 HydrophobicContact CB-CG 4.45Å; V100-F154 HydrophobicContact CG2-CD1 4.34Å; N103-F154 WeakPolarHBondContact ND2-CB 3.35Å; N103-F154 PolarHBondContact ND2-O 3.43Å; Q151-F154 HydrophobicContact CB-CD2 4.29Å; Q151-F154 PolarHBondContact O-N 3.48Å; T152-F154 PolarHBondContact O-N 3.3Å; F154-Y310 HydrophobicContact CD2-CD2 4.38Å; F154-Y310 AromaticContact CE2-CD1 3.78Å; F154-Y310 HydrophobicContact CE2-CD1 3.78Å; F154-Y310 AromaticContact CE2-CD2 3.5Å; F154-Y310 HydrophobicContact CE2-CD2 3.5Å; F154-Y310 VanDerWaalsContact CE2-CD2 3.5Å; F154-Y310 AromaticContact CE2-CE1 3.96Å; F154-Y310 HydrophobicContact CE2-CE1 3.96Å; F154-Y310 AromaticContact CE2-CE2 3.72Å; F154-Y310 HydrophobicContact CE2-CE2 3.72Å; F154-Y310 AromaticContact CE2-CG 3.55Å; F154-Y310 HydrophobicContact CE2-CG 3.55Å; F154-Y310 AromaticContact CE2-CZ 3.94Å; F154-Y310 AromaticContact CZ-CD1 3.6Å; F154-Y310 HydrophobicContact CZ-CD1 3.6Å; F154-Y310 AromaticContact CZ-CD2 3.88Å; F154-Y310 HydrophobicContact CZ-CD2 3.88Å; F154-Y310 HydrophobicContact CZ-CE1 4.18Å; F154-Y310 HydrophobicContact CZ-CE2 4.45Å; F154-Y310 AromaticContact CZ-CG 3.43Å; F154-Y310 HydrophobicContact CZ-CG 3.43Å; F154-Y310 VanDerWaalsContact CZ-CG 3.43Å
155L98.3Very high96.2Very high0 Ų039.8 Ų39.80%020%0.202CC..G310 helixtrans-105.45.6-178.1-58.2172.3000112N103 F108 H127 A129 M141 Q151 T152 Y153 Q157 L158 F168N103-L155 HydrophobicContact CB-CD2 4.13Å; F108-L155 HydrophobicContact CD2-CD2 4.23Å; F108-L155 HydrophobicContact CE2-CD2 3.44Å; F108-L155 VanDerWaalsContact CE2-CD2 3.44Å; F108-L155 HydrophobicContact CZ-CD2 4.08Å; H127-L155 HydrophobicContact CB-CD1 4.13Å; A129-L155 HydrophobicContact CB-CD1 3.56Å; M141-L155 HydrophobicContact CE-CB 3.98Å; M141-L155 WeakPolarHBondContact CE-O 3.47Å; M141-L155 HydrophobicContact SD-CB 3.51Å; M141-L155 VanDerWaalsContact SD-CB 3.51Å; M141-L155 HydrophobicContact SD-CD1 4.16Å; M141-L155 HydrophobicContact SD-CG 4.5Å; Q151-L155 PolarHBondContact O-N 3.26Å; T152-L155 CarbonylContact O-C 3.51Å; T152-L155 PolarHBondContact O-N 3.37Å; Y153-L155 VanDerWaalsContact C-N 3.35Å; L155-Q157 PolarHBondContact O-N 3.44Å; L155-L158 HydrophobicContact CB-CD1 4.14Å; L155-L158 HydrophobicContact CB-CG 4.36Å; L155-L158 HydrophobicContact CD2-CD1 4.03Å; L155-L158 WeakPolarHBondContact O-CB 3.33Å; L155-L158 WeakPolarHBondContact O-CG 3.48Å; L155-L158 PolarHBondContact O-N 2.8Å; L155-F168 HydrophobicContact CD1-CE1 4.26Å; L155-F168 HydrophobicContact CD1-CE2 4.1Å; L155-F168 HydrophobicContact CD1-CZ 3.7Å
156N97.9Very high96.2Very high1 Ų137.6 Ų37.61%0.00519%0.189CC..THydrogen-bonded Turntrans-60.3-12.7-17275.983000115.7T152 Y153 V345 G354 G355T152-N156 PolarHBondContact O-N 3.04Å; T152-N156 VanDerWaalsContact O-N 3.17Å; Y153-N156 PolarHBondContact O-ND2 2.98Å; N156-V345 HydrophobicContact CB-CB 4.23Å; N156-V345 HydrophobicContact CB-CG1 3.68Å; N156-V345 HydrophobicContact CB-CG2 3.61Å; N156-G354 CarbonylContact O-C 3.59Å; N156-G354 WeakPolarHBondContact O-CA 3.33Å; N156-G355 PolarHBondContact O-N 2.96Å; N156-G355 WeakPolarHBondContact OD1-CA 3.42Å
157Q97.6Very high96.4Very high9 Ų938.7 Ų38.74%0.04219%0.194CC..THydrogen-bonded Turntrans-98.93.6-179.7-68.4-72.5-56.200113.5V100 K104 L155 D287 G355V100-Q157 HydrophobicContact CG1-CB 4.41Å; V100-Q157 HydrophobicContact CG1-CG 3.57Å; K104-Q157 HydrophobicContact CB-CB 4.08Å; K104-Q157 HydrophobicContact CD-CB 3.93Å; K104-Q157 HydrophobicContact CD-CG 4.18Å; K104-Q157 HydrophobicContact CG-CB 4.1Å; L155-Q157 PolarHBondContact O-N 3.44Å; Q157-D287 PolarHBondContact NE2-O 2.91Å; Q157-D287 VanDerWaalsContact NE2-O 3.13Å; Q157-D287 PolarHBondContact OE1-O 2.86Å; Q157-G355 PolarHBondContact NE2-O 3.36Å
158L97.6Very high96.7Very high1 Ų133.7 Ų33.71%0.00517%0.167CC..  trans-78.2132.7179.4-61.5-169.9000111.4F108 L155 L163F108-L158 HydrophobicContact CB-CD1 4.43Å; F108-L158 HydrophobicContact CB-CD2 3.41Å; F108-L158 VanDerWaalsContact CB-CD2 3.41Å; F108-L158 HydrophobicContact CD1-CD1 4.19Å; F108-L158 HydrophobicContact CD2-CD1 3.72Å; F108-L158 HydrophobicContact CD2-CD2 3.6Å; F108-L158 HydrophobicContact CD2-CG 4.24Å; F108-L158 HydrophobicContact CE1-CD1 4.43Å; F108-L158 HydrophobicContact CE2-CD1 3.99Å; F108-L158 HydrophobicContact CG-CD1 3.83Å; F108-L158 HydrophobicContact CG-CD2 3.63Å; F108-L158 HydrophobicContact CG-CG 4.4Å; F108-L158 HydrophobicContact CZ-CD1 4.34Å; L155-L158 HydrophobicContact CB-CD1 4.14Å; L155-L158 HydrophobicContact CB-CG 4.36Å; L155-L158 HydrophobicContact CD2-CD1 4.03Å; L155-L158 WeakPolarHBondContact O-CB 3.33Å; L155-L158 WeakPolarHBondContact O-CG 3.48Å; L155-L158 PolarHBondContact O-N 2.8Å; L158-L163 HydrophobicContact CB-CD1 4.24Å; L158-L163 HydrophobicContact CB-CD2 4.21Å; L158-L163 HydrophobicContact CB-CG 3.98Å; L158-L163 HydrophobicContact CD1-CD2 3.86Å; L158-L163 HydrophobicContact CD1-CG 4.46Å
159S95.4Very high97.1Very high37 Ų3728.8 Ų28.826%0.25914%0.142SC..  trans-83.5163175.970.40000112.3Q161 Q162 L163S159-Q161 VanDerWaalsContact C-N 3.28Å; S159-Q161 PolarHBondContact O-N 3.34Å; S159-Q162 PolarHBondContact O-N 3.45Å; S159-Q162 PolarHBondContact OG-N 2.89Å; S159-Q162 PolarHBondContact OG-OE1 3.3Å; S159-L163 PolarHBondContact O-N 3.46Å
160Q95.6Very high97.3Very high66 Ų6626.6 Ų26.631%0.30813%0.132SC..Hα-helixtrans-46.9-53.1167.8-162-74.585.300110.8V139 Q162 L163 S164 V291V139-Q160 HydrophobicContact CG2-CG 3.96Å; Q160-Q162 VanDerWaalsContact C-N 3.3Å; Q160-Q162 PolarHBondContact O-N 2.79Å; Q160-L163 PolarHBondContact O-N 3.43Å; Q160-L163 VanDerWaalsContact O-N 3.1Å; Q160-S164 PolarHBondContact O-N 3.31Å; Q160-V291 WeakPolarHBondContact CB-O 3.4Å; Q160-V291 PolarHBondContact N-O 3.46Å
161Q94.7Very high97.3Very high153 Ų15326.5 Ų26.572%0.71513%0.132SC*.Hα-helixtrans-55-43.9-177.9-174.1-176.37.700112.4S159 S164S159-Q161 VanDerWaalsContact C-N 3.28Å; S159-Q161 PolarHBondContact O-N 3.34Å; Q161-S164 PolarHBondContact O-OG 3.08Å
162Q96.7Very high97.3Very high31 Ų3129.5 Ų29.515%0.14515%0.149CC..Hα-helixtrans-65.9-51.6176.5-71.1168.5-5100110.8F108 L112 S159 Q160 S164 K165 V166F108-Q162 PolarHBondContact O-NE2 3.03Å; L112-Q162 HydrophobicContact CD2-CB 4.35Å; L112-Q162 HydrophobicContact CD2-CG 4.12Å; S159-Q162 PolarHBondContact O-N 3.45Å; S159-Q162 PolarHBondContact OG-N 2.89Å; S159-Q162 PolarHBondContact OG-OE1 3.3Å; Q160-Q162 VanDerWaalsContact C-N 3.3Å; Q160-Q162 PolarHBondContact O-N 2.79Å; Q162-S164 PolarHBondContact O-N 3.16Å; Q162-K165 PolarHBondContact O-N 2.95Å; Q162-V166 VanDerWaalsContact O-CG2 3.25Å; Q162-V166 WeakPolarHBondContact O-CG2 3.29Å; Q162-V166 PolarHBondContact O-N 3.16Å
163L97.4Very high97.2Very high0 Ų030.8 Ų30.80%016%0.156CC..Hα-helixtrans-60.1-30.7-179.1-72.4167.1000112.7I131 R133 V139 M141 L158 S159 Q160 K165 V166 F168 V291I131-L163 HydrophobicContact CD1-CD2 3.95Å; I131-L163 HydrophobicContact CG1-CD2 4.17Å; R133-L163 PolarHBondContact NH2-O 2.95Å; R133-L163 VanDerWaalsContact NH2-O 3.16Å; V139-L163 HydrophobicContact CG2-CB 3.55Å; M141-L163 HydrophobicContact CB-CD1 3.95Å; M141-L163 HydrophobicContact CB-CD2 4.48Å; M141-L163 HydrophobicContact SD-CD2 4.27Å; L158-L163 HydrophobicContact CB-CD1 4.24Å; L158-L163 HydrophobicContact CB-CD2 4.21Å; L158-L163 HydrophobicContact CB-CG 3.98Å; L158-L163 HydrophobicContact CD1-CD2 3.86Å; L158-L163 HydrophobicContact CD1-CG 4.46Å; S159-L163 PolarHBondContact O-N 3.46Å; Q160-L163 PolarHBondContact O-N 3.43Å; Q160-L163 VanDerWaalsContact O-N 3.1Å; L163-K165 PolarHBondContact O-N 2.94Å; L163-K165 VanDerWaalsContact O-N 3.08Å; L163-V166 PolarHBondContact O-N 3.14Å; L163-F168 HydrophobicContact CD2-CE2 4.26Å; L163-V291 HydrophobicContact CD1-CB 4.26Å; L163-V291 HydrophobicContact CD1-CG1 3.48Å; L163-V291 VanDerWaalsContact CD1-CG1 3.48Å; L163-V291 HydrophobicContact CD1-CG2 3.76Å
164S96.4Very high97.2Very high30 Ų3035 Ų3521%0.2118%0.175CC..THydrogen-bonded Turntrans-57.7-25.1174.583.80000112.7Y122 R133 Q160 Q161 Q162Y122-S164 WeakPolarHBondContact CE1-O 3.27Å; R133-S164 PolarHBondContact NH1-O 3Å; R133-S164 PolarHBondContact NH2-O 3.39Å; R133-S164 VanDerWaalsContact NH2-O 3.14Å; Q160-S164 PolarHBondContact O-N 3.31Å; Q161-S164 PolarHBondContact O-OG 3.08Å; Q162-S164 PolarHBondContact O-N 3.16Å
165K97.5Very high97.2Very high88 Ų8834.5 Ų34.538%0.38317%0.173SC..THydrogen-bonded Turntrans-107.810.3179.9-59.9-58.5-174174.80114.2L112 M116 Y122 V123 Q162 L163L112-K165 HydrophobicContact CD1-CB 3.89Å; M116-K165 HydrophobicContact CE-CB 4.43Å; M116-K165 HydrophobicContact SD-CD 4.34Å; M116-K165 HydrophobicContact SD-CG 4.41Å; Y122-K165 CarbonylContact C-O 3.6Å; Y122-K165 VanDerWaalsContact CA-O 3.31Å; Y122-K165 WeakPolarHBondContact CA-O 3.23Å; V123-K165 PolarHBondContact N-O 3Å; Q162-K165 PolarHBondContact O-N 2.95Å; L163-K165 PolarHBondContact O-N 2.94Å; L163-K165 VanDerWaalsContact O-N 3.08Å
166V98.1Very high97.1Very high1 Ų138.8 Ų38.81%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-113.1149-175.6175.20000112.1F108 V123 I131 R133 Q162 L163 F168F108-V166 HydrophobicContact CD1-CG1 4.29Å; F108-V166 HydrophobicContact CD1-CG2 3.48Å; F108-V166 VanDerWaalsContact CD1-CG2 3.48Å; F108-V166 HydrophobicContact CE1-CB 4.36Å; F108-V166 HydrophobicContact CE1-CG1 3.62Å; F108-V166 HydrophobicContact CE1-CG2 3.67Å; F108-V166 HydrophobicContact CZ-CG1 4.46Å; V123-V166 HydrophobicContact CG2-CB 4.45Å; V123-V166 HydrophobicContact CG2-CG2 3.71Å; V123-V166 CarbonylContact O-C 3.55Å; V123-V166 VanDerWaalsContact O-CA 3.31Å; V123-V166 WeakPolarHBondContact O-CA 3.43Å; I131-V166 HydrophobicContact CD1-CB 3.85Å; I131-V166 HydrophobicContact CD1-CG1 3.83Å; I131-V166 WeakPolarHBondContact CD1-O 3.25Å; R133-V166 PolarHBondContact NH2-O 3.36Å; Q162-V166 VanDerWaalsContact O-CG2 3.25Å; Q162-V166 WeakPolarHBondContact O-CG2 3.29Å; Q162-V166 PolarHBondContact O-N 3.16Å; L163-V166 PolarHBondContact O-N 3.14Å; V166-F168 HydrophobicContact CG1-CD1 4.12Å; V166-F168 HydrophobicContact CG1-CD2 4.43Å; V166-F168 HydrophobicContact CG1-CE1 3.55Å; V166-F168 HydrophobicContact CG1-CE2 3.9Å; V166-F168 HydrophobicContact CG1-CZ 3.42Å; V166-F168 VanDerWaalsContact CG1-CZ 3.42Å
167M98.5Very high97.1Very high33 Ų3342.1 Ų42.116%0.16322%0.219CC..EExtended strand (participates in β ladder)trans-128.4144.2169.4-61.9176.975.800110.7V8 L25 Y30 Y122 V123 A124 T125V8-M167 HydrophobicContact CG1-SD 4.08Å; V8-M167 HydrophobicContact CG2-SD 3.91Å; L25-M167 HydrophobicContact CD2-CE 3.6Å; L25-M167 HydrophobicContact CD2-SD 4.2Å; Y30-M167 HydrophobicContact CE2-CE 4.18Å; Y122-M167 HydrophobicContact CD1-CG 4.18Å; Y122-M167 HydrophobicContact CD2-SD 4.27Å; Y122-M167 HydrophobicContact CG-CG 4.13Å; Y122-M167 HydrophobicContact CG-SD 3.98Å; V123-M167 PolarHBondContact O-N 2.96Å; A124-M167 VanDerWaalsContact CA-O 3.3Å; A124-M167 WeakPolarHBondContact CA-O 3.01Å; A124-M167 HydrophobicContact CB-CB 4.1Å; T125-M167 PolarHBondContact N-O 3.16Å
168F98.5Very high97.1Very high13 Ų1341.7 Ų41.76%0.05722%0.217CC..  trans-12777.7173.7-60.4-53000110.6F108 T125 H127 A129 I131 L155 L163 V166 I170 G171F108-F168 HydrophobicContact CE1-CE1 4.16Å; F108-F168 HydrophobicContact CE1-CZ 4.3Å; F108-F168 AromaticContact CZ-CE1 3.78Å; F108-F168 HydrophobicContact CZ-CE1 3.78Å; F108-F168 HydrophobicContact CZ-CZ 4.02Å; T125-F168 WeakPolarHBondContact OG1-CD1 3.46Å; T125-F168 VanDerWaalsContact OG1-CE1 3.27Å; T125-F168 WeakPolarHBondContact OG1-CE1 3.41Å; H127-F168 HydrophobicContact CB-CD1 3.8Å; H127-F168 HydrophobicContact CB-CE1 3.81Å; A129-F168 HydrophobicContact CB-CD2 3.77Å; A129-F168 HydrophobicContact CB-CE2 3.94Å; A129-F168 HydrophobicContact CB-CG 4.29Å; A129-F168 WeakPolarHBondContact O-CB 3.28Å; I131-F168 HydrophobicContact CD1-CD2 3.72Å; I131-F168 HydrophobicContact CD1-CE2 3.67Å; I131-F168 HydrophobicContact CG1-CD2 3.74Å; I131-F168 HydrophobicContact CG1-CE2 3.86Å; L155-F168 HydrophobicContact CD1-CE1 4.26Å; L155-F168 HydrophobicContact CD1-CE2 4.1Å; L155-F168 HydrophobicContact CD1-CZ 3.7Å; L163-F168 HydrophobicContact CD2-CE2 4.26Å; V166-F168 HydrophobicContact CG1-CD1 4.12Å; V166-F168 HydrophobicContact CG1-CD2 4.43Å; V166-F168 HydrophobicContact CG1-CE1 3.55Å; V166-F168 HydrophobicContact CG1-CE2 3.9Å; V166-F168 HydrophobicContact CG1-CZ 3.42Å; V166-F168 VanDerWaalsContact CG1-CZ 3.42Å; F168-I170 PolarHBondContact O-N 3.18Å; F168-I170 VanDerWaalsContact O-N 3.09Å; F168-G171 PolarHBondContact O-N 3.1Å
169P97.7Very high97.1Very high21 Ų2144.5 Ų44.514%0.13623%0.227CC..THydrogen-bonded Turntrans-62.5-20.8-169.6-27.238.4000115.5T21 V24 L25 A124T21-P169 HydrophobicContact CG2-CB 4.28Å; T21-P169 HydrophobicContact CG2-CG 3.73Å; V24-P169 HydrophobicContact CB-CB 4.43Å; V24-P169 HydrophobicContact CG1-CB 4.07Å; L25-P169 HydrophobicContact CD1-CG 3.74Å; L25-P169 HydrophobicContact CD2-CG 3.8Å; L25-P169 HydrophobicContact CG-CB 4.29Å; L25-P169 HydrophobicContact CG-CG 3.63Å; A124-P169 HydrophobicContact CB-CG 4.34Å
170I97.8Very high97.2Very high0 Ų047.5 Ų47.50%023%0.233CC..THydrogen-bonded Turntrans-98.93.4179.567.4171.2000113.2D17 V20 G126 Y128 F168 D172 I173 V178D17-I170 HydrophobicContact CB-CD1 3.76Å; V20-I170 HydrophobicContact CG1-CG2 4.19Å; G126-I170 WeakPolarHBondContact O-CD1 3.37Å; Y128-I170 HydrophobicContact CD2-CD1 4.21Å; Y128-I170 HydrophobicContact CE1-CD1 4.18Å; Y128-I170 HydrophobicContact CE2-CD1 3.78Å; F168-I170 PolarHBondContact O-N 3.18Å; F168-I170 VanDerWaalsContact O-N 3.09Å; I170-D172 PolarHBondContact O-N 3.27Å; I170-I173 PolarHBondContact O-N 3.31Å; I170-V178 HydrophobicContact CB-CG2 4.14Å; I170-V178 HydrophobicContact CG2-CG2 4.25Å
171G97.7Very high97.3Very high0 Ų045.5 Ų45.50%022%0.224CC..THydrogen-bonded Turntrans-60.8-27.6-179.200000114.7A129 R130 G144 V145 F168A129-G171 WeakPolarHBondContact O-CA 3.45Å; R130-G171 VanDerWaalsContact CG-C 3.44Å; R130-G171 WeakPolarHBondContact CG-O 3.27Å; G144-G171 WeakPolarHBondContact CA-O 3.43Å; V145-G171 PolarHBondContact N-O 3.22Å; F168-G171 PolarHBondContact O-N 3.1Å
172D96.7Very high97.5Very high109 Ų10938.2 Ų38.258%0.58319%0.19SC*.THydrogen-bonded Turntrans-96.312.4177.7-64.4-74.3000112.9R130 I170R130-D172 VanDerWaalsContact CD-CG 3.45Å; R130-D172 WeakPolarHBondContact CD-OD1 3.39Å; R130-D172 IonicContact NE-OD1 3.27Å; R130-D172 IonicContact NH1-OD1 3.05Å; I170-D172 PolarHBondContact O-N 3.27Å
173I96.7Very high97.6Very high28 Ų2842 Ų4214%0.14421%0.208CC..SBendtrans-125.2128.4-174.1-49.8-178.8000110.2Y128 I170 E177 V178 I181Y128-I173 WeakPolarHBondContact CE1-O 3.23Å; I170-I173 PolarHBondContact O-N 3.31Å; I173-E177 HydrophobicContact CG2-CB 3.6Å; I173-E177 HydrophobicContact CG2-CG 3.45Å; I173-E177 VanDerWaalsContact CG2-CG 3.45Å; I173-V178 HydrophobicContact CB-CG2 3.97Å; I173-V178 HydrophobicContact CG2-CG2 3.61Å; I173-I181 HydrophobicContact CD1-CD1 4.19Å; I173-I181 HydrophobicContact CG2-CD1 4.38Å
174E97.3Very high97.6Very high87 Ų8747.5 Ų47.541%0.40723%0.234SC..  trans-63.9146.8172.6-68.5-73.7175.700111.5D146 S176 E177 V178D146-E174 WeakPolarHBondContact CA-OE2 3.47Å; D146-E174 WeakPolarHBondContact CB-OE2 3.41Å; E174-S176 PolarHBondContact O-N 3.44Å; E174-S176 VanDerWaalsContact O-N 3.15Å; E174-E177 HydrophobicContact CB-CB 4.4Å; E174-E177 WeakPolarHBondContact O-CA 3.05Å; E174-E177 WeakPolarHBondContact O-CB 3.43Å; E174-E177 PolarHBondContact O-N 2.73Å; E174-V178 PolarHBondContact O-N 2.99Å
175K96.5Very high97.6Very high16 Ų1650.7 Ų50.77%0.0725%0.245CC..Hα-helixtrans-56-37.1-179178.165.7175.6-171.60113.7D17 Y128 D146 K149 E177 V178 R179 D194D17-K175 IonicContact OD1-NZ 2.62Å; D17-K175 PolarHBondContact OD1-NZ 2.8Å; D17-K175 IonicContact OD2-NZ 2.65Å; D17-K175 PolarHBondContact OD2-NZ 3.31Å; Y128-K175 HydrophobicContact CE1-CB 4.46Å; Y128-K175 HydrophobicContact CE2-CD 4.35Å; Y128-K175 WeakPolarHBondContact OH-CD 2.89Å; D146-K175 VanDerWaalsContact OD2-CB 3.28Å; D146-K175 WeakPolarHBondContact OD2-CB 3.11Å; D146-K175 PolarHBondContact OD2-N 3.34Å; K149-K175 HydrophobicContact CG-CB 4.01Å; K175-E177 VanDerWaalsContact C-N 3.25Å; K175-E177 PolarHBondContact O-N 3.27Å; K175-V178 PolarHBondContact O-N 3.22Å; K175-R179 PolarHBondContact O-N 2.84Å; K175-R179 VanDerWaalsContact O-N 3.09Å; K175-D194 WeakPolarHBondContact CE-OD1 3.35Å; K175-D194 VanDerWaalsContact CE-OD2 3.29Å; K175-D194 WeakPolarHBondContact CE-OD2 3.27Å; K175-D194 IonicContact NZ-OD1 3.65Å; K175-D194 PolarHBondContact NZ-OD1 2.85Å; K175-D194 IonicContact NZ-OD2 3.25Å; K175-D194 PolarHBondContact NZ-OD2 3.13Å
176S96.7Very high97.6Very high90 Ų9048.8 Ų48.863%0.62925%0.25SC*.Hα-helixtrans-61.8-37.6176.450.60000111.8E174 R179 R180E174-S176 PolarHBondContact O-N 3.44Å; E174-S176 VanDerWaalsContact O-N 3.15Å; S176-R179 PolarHBondContact O-N 3.42Å; S176-R180 PolarHBondContact O-N 3.15Å
177E97.6Very high97.6Very high71 Ų7149 Ų4933%0.33225%0.251SS..Hα-helixtrans-74.4-38.6179.7179.865.8179.100111.6I173 E174 K175 R179 R180 I181I173-E177 HydrophobicContact CG2-CB 3.6Å; I173-E177 HydrophobicContact CG2-CG 3.45Å; I173-E177 VanDerWaalsContact CG2-CG 3.45Å; E174-E177 HydrophobicContact CB-CB 4.4Å; E174-E177 WeakPolarHBondContact O-CA 3.05Å; E174-E177 WeakPolarHBondContact O-CB 3.43Å; E174-E177 PolarHBondContact O-N 2.73Å; K175-E177 VanDerWaalsContact C-N 3.25Å; K175-E177 PolarHBondContact O-N 3.27Å; E177-R179 VanDerWaalsContact C-N 3.29Å; E177-R179 PolarHBondContact O-N 3.44Å; E177-R180 VanDerWaalsContact CD-NE 3.32Å; E177-R180 WeakPolarHBondContact O-CB 3.49Å; E177-R180 PolarHBondContact O-N 3.03Å; E177-R180 VanDerWaalsContact O-N 3.16Å; E177-R180 IonicContact OE1-CZ 2.8Å; E177-R180 VanDerWaalsContact OE1-CZ 3.31Å; E177-R180 IonicContact OE1-NE 3.83Å; E177-R180 PolarHBondContact OE1-NE 3.05Å; E177-R180 IonicContact OE1-NH2 3.77Å; E177-R180 PolarHBondContact OE1-NH2 3.14Å; E177-R180 IonicContact OE2-CZ 2.71Å; E177-R180 IonicContact OE2-NE 2.7Å; E177-R180 PolarHBondContact OE2-NE 3.36Å; E177-R180 IonicContact OE2-NH2 2.6Å; E177-I181 HydrophobicContact CG-CD1 4.3Å; E177-I181 WeakPolarHBondContact O-CG1 3.38Å; E177-I181 PolarHBondContact O-N 2.83Å
178V97.9Very high97.5Very high0 Ų050.2 Ų50.20%026%0.26CS..Hα-helixtrans-54.9-46.9169.5172.60000110.8V20 Y128 I170 I173 E174 K175 I181 A182V20-V178 HydrophobicContact CB-CG1 3.88Å; V20-V178 HydrophobicContact CG1-CG1 4.13Å; V20-V178 HydrophobicContact CG2-CG1 3.81Å; V20-V178 WeakPolarHBondContact CG2-O 3.46Å; Y128-V178 HydrophobicContact CE1-CG2 4.24Å; Y128-V178 WeakPolarHBondContact OH-CG2 3.47Å; I170-V178 HydrophobicContact CB-CG2 4.14Å; I170-V178 HydrophobicContact CG2-CG2 4.25Å; I173-V178 HydrophobicContact CB-CG2 3.97Å; I173-V178 HydrophobicContact CG2-CG2 3.61Å; E174-V178 PolarHBondContact O-N 2.99Å; K175-V178 PolarHBondContact O-N 3.22Å; V178-I181 PolarHBondContact O-N 2.97Å; V178-A182 PolarHBondContact O-N 3.24Å
179R97.6Very high97.4Very high60 Ų6049.6 Ų49.623%0.22626%0.257CS..Hα-helixtrans-64.5-40.2177.2-72.4-172.9172.9-79.8-0.8112.5K175 S176 E177 A182 E183 A190 K192 D194K175-R179 PolarHBondContact O-N 2.84Å; K175-R179 VanDerWaalsContact O-N 3.09Å; S176-R179 PolarHBondContact O-N 3.42Å; E177-R179 VanDerWaalsContact C-N 3.29Å; E177-R179 PolarHBondContact O-N 3.44Å; R179-A182 PolarHBondContact O-N 2.9Å; R179-E183 WeakPolarHBondContact O-CG 3.49Å; R179-E183 PolarHBondContact O-N 2.98Å; R179-A190 PolarHBondContact NH1-O 3.4Å; R179-K192 PolarHBondContact NH1-O 2.93Å; R179-K192 PolarHBondContact NH2-O 3.03Å; R179-D194 IonicContact CZ-OD1 3.9Å; R179-D194 IonicContact NH2-OD1 3.59Å; R179-D194 PolarHBondContact NH2-OD1 2.71Å
180R98.1Very high97.4Very high101 Ų10148.9 Ų48.938%0.38125%0.253SS..Hα-helixtrans-58.4-48.2174.9-171.1-170.769.382.911.5111.4S176 E177 A182 E183 E184S176-R180 PolarHBondContact O-N 3.15Å; E177-R180 VanDerWaalsContact CD-NE 3.32Å; E177-R180 WeakPolarHBondContact O-CB 3.49Å; E177-R180 PolarHBondContact O-N 3.03Å; E177-R180 VanDerWaalsContact O-N 3.16Å; E177-R180 IonicContact OE1-CZ 2.8Å; E177-R180 VanDerWaalsContact OE1-CZ 3.31Å; E177-R180 IonicContact OE1-NE 3.83Å; E177-R180 PolarHBondContact OE1-NE 3.05Å; E177-R180 IonicContact OE1-NH2 3.77Å; E177-R180 PolarHBondContact OE1-NH2 3.14Å; E177-R180 IonicContact OE2-CZ 2.71Å; E177-R180 IonicContact OE2-NE 2.7Å; E177-R180 PolarHBondContact OE2-NE 3.36Å; E177-R180 IonicContact OE2-NH2 2.6Å; R180-A182 VanDerWaalsContact C-N 3.32Å; R180-A182 PolarHBondContact O-N 2.83Å; R180-E183 PolarHBondContact O-N 3.31Å; R180-E184 HydrophobicContact CG-CG 4.49Å; R180-E184 IonicContact CZ-OE1 2.85Å; R180-E184 IonicContact CZ-OE2 3.06Å; R180-E184 IonicContact NH1-OE1 2.71Å; R180-E184 PolarHBondContact NH1-OE1 3.24Å; R180-E184 IonicContact NH1-OE2 2.71Å; R180-E184 PolarHBondContact NH1-OE2 2.92Å; R180-E184 IonicContact NH2-OE2 2.84Å; R180-E184 WeakPolarHBondContact O-CG 3.5Å; R180-E184 PolarHBondContact O-N 2.99Å
181I97.8Very high97.2Very high23 Ų2357 Ų5712%0.11829%0.289CS..Hα-helixtrans-57.6-46.7177-66.2163.8000110.3V20 I173 E177 V178 E183 E184 Q185V20-I181 HydrophobicContact CG1-CB 4.24Å; V20-I181 HydrophobicContact CG1-CD1 4.32Å; V20-I181 HydrophobicContact CG1-CG2 3.9Å; V20-I181 HydrophobicContact CG2-CG2 4.39Å; I173-I181 HydrophobicContact CD1-CD1 4.19Å; I173-I181 HydrophobicContact CG2-CD1 4.38Å; E177-I181 HydrophobicContact CG-CD1 4.3Å; E177-I181 WeakPolarHBondContact O-CG1 3.38Å; E177-I181 PolarHBondContact O-N 2.83Å; V178-I181 PolarHBondContact O-N 2.97Å; I181-E183 VanDerWaalsContact C-N 3.34Å; I181-E183 PolarHBondContact O-N 3.4Å; I181-E184 PolarHBondContact O-N 3.45Å; I181-Q185 HydrophobicContact CG2-CG 4.37Å; I181-Q185 WeakPolarHBondContact O-CB 3.34Å; I181-Q185 VanDerWaalsContact O-CG 3.25Å; I181-Q185 WeakPolarHBondContact O-CG 3.4Å; I181-Q185 PolarHBondContact O-N 3.17Å
182A98.3Very high97Very high0 Ų059.6 Ų59.60%030%0.3CS..Hα-helixtrans-61.3-40.817900000113V16 V20 V178 R179 R180 G186 L187 A190V16-A182 HydrophobicContact CG2-CB 3.47Å; V16-A182 VanDerWaalsContact CG2-CB 3.47Å; V20-A182 HydrophobicContact CG2-CB 3.71Å; V178-A182 PolarHBondContact O-N 3.24Å; R179-A182 PolarHBondContact O-N 2.9Å; R180-A182 VanDerWaalsContact C-N 3.32Å; R180-A182 PolarHBondContact O-N 2.83Å; A182-G186 PolarHBondContact O-N 3.12Å; A182-L187 HydrophobicContact CB-CB 4.36Å; A182-L187 HydrophobicContact CB-CD1 4.18Å; A182-L187 PolarHBondContact O-N 2.87Å; A182-A190 HydrophobicContact CB-CB 3.69Å
183E98.1Very high96.8Very high111 Ų11163.3 Ų63.352%0.51931%0.311SS..Hα-helixtrans-66.8-42.9177.2-72.2-176.1169.300112.1R179 R180 I181 Q185 G186 A190R179-E183 WeakPolarHBondContact O-CG 3.49Å; R179-E183 PolarHBondContact O-N 2.98Å; R180-E183 PolarHBondContact O-N 3.31Å; I181-E183 VanDerWaalsContact C-N 3.34Å; I181-E183 PolarHBondContact O-N 3.4Å; E183-Q185 VanDerWaalsContact C-N 3.31Å; E183-Q185 PolarHBondContact O-N 3.1Å; E183-G186 PolarHBondContact O-N 3.24Å; E183-G186 VanDerWaalsContact O-N 3.09Å; E183-A190 HydrophobicContact CB-CB 4.49Å; E183-A190 HydrophobicContact CG-CB 3.8Å
184E97.7Very high96.3Very high116 Ų11664.6 Ų64.654%0.54232%0.318SS..Hα-helixtrans-65.2-34.9179.3-75.1179.1175.800113.1R180 I181 G186R180-E184 HydrophobicContact CG-CG 4.49Å; R180-E184 IonicContact CZ-OE1 2.85Å; R180-E184 IonicContact CZ-OE2 3.06Å; R180-E184 IonicContact NH1-OE1 2.71Å; R180-E184 PolarHBondContact NH1-OE1 3.24Å; R180-E184 IonicContact NH1-OE2 2.71Å; R180-E184 PolarHBondContact NH1-OE2 2.92Å; R180-E184 IonicContact NH2-OE2 2.84Å; R180-E184 WeakPolarHBondContact O-CG 3.5Å; R180-E184 PolarHBondContact O-N 2.99Å; I181-E184 PolarHBondContact O-N 3.45Å; E184-G186 PolarHBondContact O-N 2.81Å
185Q96.7Very high95.3Very high97 Ų9765.7 Ų65.745%0.45334%0.335SS..THydrogen-bonded Turntrans-84.40.3176.3-59.3-57.5-41.300112.9H23 I181 E183 L187H23-Q185 VanDerWaalsContact CE1-CD 3.44Å; H23-Q185 PolarHBondContact CE1-OE1 3.07Å; H23-Q185 WeakPolarHBondContact NE2-CG 3.36Å; I181-Q185 HydrophobicContact CG2-CG 4.37Å; I181-Q185 WeakPolarHBondContact O-CB 3.34Å; I181-Q185 VanDerWaalsContact O-CG 3.25Å; I181-Q185 WeakPolarHBondContact O-CG 3.4Å; I181-Q185 PolarHBondContact O-N 3.17Å; E183-Q185 VanDerWaalsContact C-N 3.31Å; E183-Q185 PolarHBondContact O-N 3.1Å; Q185-L187 HydrophobicContact CB-CD2 4.27Å; Q185-L187 HydrophobicContact CB-CG 4.01Å; Q185-L187 PolarHBondContact O-N 3.14Å
186G97.1Very high94.4Very high47 Ų4769.9 Ų69.949%0.48536%0.362SS..THydrogen-bonded Turntrans63.326.6179.600000113.8Q64 A182 E183 E184 V188Q64-G186 PolarHBondContact NE2-O 2.62Å; A182-G186 PolarHBondContact O-N 3.12Å; E183-G186 PolarHBondContact O-N 3.24Å; E183-G186 VanDerWaalsContact O-N 3.09Å; E184-G186 PolarHBondContact O-N 2.81Å; G186-V188 PolarHBondContact O-N 3.47Å
187L97.9Very high93.5Very high6 Ų668.7 Ų68.73%0.03137%0.365CS..  trans-65.3132.9-178.6-59.4-176.9000110.3V20 Q64 I65 A182 Q185 T189 A190V20-L187 HydrophobicContact CG2-CD1 4.31Å; Q64-L187 HydrophobicContact CB-CD2 4.41Å; I65-L187 HydrophobicContact CG2-CD2 3.81Å; A182-L187 HydrophobicContact CB-CB 4.36Å; A182-L187 HydrophobicContact CB-CD1 4.18Å; A182-L187 PolarHBondContact O-N 2.87Å; Q185-L187 HydrophobicContact CB-CD2 4.27Å; Q185-L187 HydrophobicContact CB-CG 4.01Å; Q185-L187 PolarHBondContact O-N 3.14Å; L187-T189 PolarHBondContact O-N 3.04Å; L187-T189 VanDerWaalsContact O-N 3.1Å; L187-A190 WeakPolarHBondContact O-CB 3.44Å; L187-A190 PolarHBondContact O-N 3.2Å
188V97.2Very high92.7Very high58 Ų5866.7 Ų66.735%0.35236%0.356SS..G310 helixtrans-56-34.2-178.364.90000112.4E60 V61 G186 A190E60-V188 HydrophobicContact CB-CG1 3.76Å; E60-V188 WeakPolarHBondContact OE2-CG2 3.31Å; V61-V188 HydrophobicContact CG2-CG1 3.82Å; G186-V188 PolarHBondContact O-N 3.47Å; V188-A190 VanDerWaalsContact C-N 3.28Å; V188-A190 PolarHBondContact O-N 3.35Å
189T97.1Very high91.8Very high0 Ų071 Ų710%039%0.385CS..G310 helixtrans-76.5-5.1-179.756.10000114.8G14 S19 D57 V61 L187 K191 K192G14-T189 WeakPolarHBondContact O-CG2 3.42Å; S19-T189 VanDerWaalsContact CB-OG1 3.26Å; S19-T189 WeakPolarHBondContact CB-OG1 3.27Å; S19-T189 PolarHBondContact OG-OG1 2.97Å; D57-T189 HydrophobicContact CB-CG2 3.92Å; V61-T189 HydrophobicContact CG2-CG2 3.78Å; L187-T189 PolarHBondContact O-N 3.04Å; L187-T189 VanDerWaalsContact O-N 3.1Å; T189-K191 PolarHBondContact O-N 2.71Å; T189-K191 VanDerWaalsContact O-N 3.14Å; T189-K192 VanDerWaalsContact O-CB 3.29Å; T189-K192 WeakPolarHBondContact O-CB 3.35Å; T189-K192 PolarHBondContact O-N 2.84Å
190A96.9Very high90.9Very high6 Ų668.2 Ų68.25%0.0537%0.374CS..G310 helixtrans-54.5-39.7-17100000113.7R179 A182 E183 L187 V188R179-A190 PolarHBondContact NH1-O 3.4Å; A182-A190 HydrophobicContact CB-CB 3.69Å; E183-A190 HydrophobicContact CB-CB 4.49Å; E183-A190 HydrophobicContact CG-CB 3.8Å; L187-A190 WeakPolarHBondContact O-CB 3.44Å; L187-A190 PolarHBondContact O-N 3.2Å; V188-A190 VanDerWaalsContact C-N 3.28Å; V188-A190 PolarHBondContact O-N 3.35Å
191K94.5Very high90Very high171 Ų17163.8 Ų63.874%0.74336%0.358SS*.G310 helixtrans-971.1179.9-63.1-175.1-179.7178.50113.7T189T189-K191 PolarHBondContact O-N 2.71Å; T189-K191 VanDerWaalsContact O-N 3.14Å
192K93.7Very high89.2Confident55 Ų5564.2 Ų64.224%0.23937%0.368CS..PPolyproline II helixtrans-65.5137.3177.8-166.4171.4176.81780109.7G14 D54 D57 R179 T189G14-K192 VanDerWaalsContact O-CD 3.31Å; G14-K192 WeakPolarHBondContact O-CD 3.48Å; G14-K192 PolarHBondContact O-NZ 2.95Å; D54-K192 IonicContact OD1-NZ 3.96Å; D54-K192 PolarHBondContact OD1-NZ 3.09Å; D57-K192 WeakPolarHBondContact OD2-CD 3.48Å; D57-K192 WeakPolarHBondContact OD2-CE 3.44Å; D57-K192 IonicContact OD2-NZ 2.8Å; D57-K192 PolarHBondContact OD2-NZ 2.91Å; R179-K192 PolarHBondContact NH1-O 2.93Å; R179-K192 PolarHBondContact NH2-O 3.03Å; T189-K192 VanDerWaalsContact O-CB 3.29Å; T189-K192 WeakPolarHBondContact O-CB 3.35Å; T189-K192 PolarHBondContact O-N 2.84Å
193K91.5Very high88Confident187 Ų18773.5 Ų73.581%0.81341%0.411SS*.PPolyproline II helixtrans-68.7147.2176.8-69.4-177.9179.8174.50109.5
194D85.2Confident87.2Confident55 Ų5572.6 Ų72.629%0.29441%0.406SS..PPolyproline II helixtrans-64.9137.8171.7-63.5-10.4000108.6K149 K175 R179 T196K149-D194 IonicContact NZ-OD2 3.46Å; K149-D194 PolarHBondContact NZ-OD2 3.44Å; K175-D194 WeakPolarHBondContact CE-OD1 3.35Å; K175-D194 VanDerWaalsContact CE-OD2 3.29Å; K175-D194 WeakPolarHBondContact CE-OD2 3.27Å; K175-D194 IonicContact NZ-OD1 3.65Å; K175-D194 PolarHBondContact NZ-OD1 2.85Å; K175-D194 IonicContact NZ-OD2 3.25Å; K175-D194 PolarHBondContact NZ-OD2 3.13Å; R179-D194 IonicContact CZ-OD1 3.9Å; R179-D194 IonicContact NH2-OD1 3.59Å; R179-D194 PolarHBondContact NH2-OD1 2.71Å; D194-T196 PolarHBondContact O-N 3.13Å
195S77.9Confident86.6Confident109 Ų10972 Ų7276%0.76241%0.406SS*.PPolyproline II helixtrans-62.3130.5171-49.70000109.5
196T76.7Confident86.1Confident104 Ų10470.4 Ų70.464%0.63840%0.398SS*.  trans-112.3142.2176.9590000110.6D194D194-T196 PolarHBondContact O-N 3.13Å
197G78.5Confident85.7Confident66 Ų6672.6 Ų72.668%0.6839%0.394SS*.SBendtrans88.8-169.3-179.200000112.9
198I80.8Confident85.2Confident29 Ų2976.2 Ų76.215%0.14942%0.416CS..  trans-82.5135.9-178.8-59160.4000108.7F86 P98 F200 I201 G202 F206F86-I198 HydrophobicContact CE2-CD1 3.78Å; F86-I198 HydrophobicContact CZ-CD1 4.38Å; P98-I198 HydrophobicContact CB-CG2 4.28Å; P98-I198 HydrophobicContact CG-CB 4.41Å; P98-I198 HydrophobicContact CG-CD1 3.65Å; P98-I198 HydrophobicContact CG-CG1 3.8Å; P98-I198 HydrophobicContact CG-CG2 3.67Å; I198-F200 HydrophobicContact CB-CZ 4.49Å; I198-F200 HydrophobicContact CG2-CD1 3.65Å; I198-F200 HydrophobicContact CG2-CD2 4.32Å; I198-F200 HydrophobicContact CG2-CE1 3.26Å; I198-F200 HydrophobicContact CG2-CE2 3.96Å; I198-F200 HydrophobicContact CG2-CG 4.2Å; I198-F200 HydrophobicContact CG2-CZ 3.44Å; I198-F200 VanDerWaalsContact CG2-CZ 3.44Å; I198-F200 PolarHBondContact O-N 3.2Å; I198-F200 VanDerWaalsContact O-N 3.16Å; I198-I201 HydrophobicContact CB-CD1 4.1Å; I198-I201 HydrophobicContact CB-CG1 4.11Å; I198-I201 HydrophobicContact CD1-CD1 3.82Å; I198-I201 HydrophobicContact CG1-CD1 4.48Å; I198-I201 PolarHBondContact O-N 3.2Å; I198-G202 PolarHBondContact O-N 2.99Å; I198-F206 HydrophobicContact CD1-CE2 4.44Å
199C78.5Confident84.9Confident89 Ų8973.7 Ų73.760%0.60140%0.401SS*.THydrogen-bonded Turntrans-45.9-49.4-172.4-172.90000114.6I201 G202C199-I201 VanDerWaalsContact C-N 3.31Å; C199-I201 PolarHBondContact O-N 2.86Å; C199-G202 PolarHBondContact O-N 2.86Å
200F79.4Confident84.6Confident2 Ų273.7 Ų73.71%0.00940%0.401CS..THydrogen-bonded Turntrans-77.6-9.9-178.755.8-101.5000115.3W40 Y78 F83 F86 P98 I198 F209W40-F200 HydrophobicContact CB-CB 4.23Å; W40-F200 HydrophobicContact CD2-CB 3.45Å; W40-F200 VanDerWaalsContact CD2-CB 3.45Å; W40-F200 HydrophobicContact CE3-CB 3.85Å; W40-F200 HydrophobicContact CG-CB 3.61Å; W40-F200 HydrophobicContact CZ2-CB 4.31Å; W40-F200 HydrophobicContact CZ3-CB 4.41Å; Y78-F200 AromaticContact CE1-CD1 3.42Å; Y78-F200 HydrophobicContact CE1-CD1 3.42Å; Y78-F200 VanDerWaalsContact CE1-CD1 3.42Å; Y78-F200 AromaticContact CE1-CE1 3.91Å; Y78-F200 HydrophobicContact CE1-CE1 3.91Å; Y78-F200 HydrophobicContact CE1-CG 4.38Å; Y78-F200 AromaticContact CZ-CD1 3.67Å; Y78-F200 WeakPolarHBondContact OH-CD1 3.41Å; Y78-F200 WeakPolarHBondContact OH-CE1 3.24Å; F83-F200 HydrophobicContact CD2-CD1 4.45Å; F83-F200 HydrophobicContact CD2-CD2 4.21Å; F83-F200 HydrophobicContact CD2-CE1 4.15Å; F83-F200 AromaticContact CD2-CE2 3.92Å; F83-F200 HydrophobicContact CD2-CE2 3.92Å; F83-F200 HydrophobicContact CD2-CG 4.45Å; F83-F200 AromaticContact CD2-CZ 3.87Å; F83-F200 HydrophobicContact CD2-CZ 3.87Å; F83-F200 HydrophobicContact CE2-CD2 4.01Å; F83-F200 AromaticContact CE2-CE2 3.72Å; F83-F200 HydrophobicContact CE2-CE2 3.72Å; F83-F200 HydrophobicContact CE2-CZ 4.12Å; F86-F200 HydrophobicContact CD1-CE2 4.33Å; F86-F200 AromaticContact CD1-CZ 3.99Å; F86-F200 HydrophobicContact CD1-CZ 3.99Å; F86-F200 HydrophobicContact CD2-CZ 4.01Å; F86-F200 AromaticContact CE1-CE2 3.96Å; F86-F200 HydrophobicContact CE1-CE2 3.96Å; F86-F200 AromaticContact CE1-CZ 3.99Å; F86-F200 HydrophobicContact CE1-CZ 3.99Å; F86-F200 HydrophobicContact CE2-CE2 4.45Å; F86-F200 AromaticContact CE2-CZ 3.98Å; F86-F200 HydrophobicContact CE2-CZ 3.98Å; F86-F200 AromaticContact CG-CZ 3.99Å; F86-F200 HydrophobicContact CG-CZ 3.99Å; F86-F200 HydrophobicContact CZ-CE2 4.01Å; F86-F200 AromaticContact CZ-CZ 3.97Å; F86-F200 HydrophobicContact CZ-CZ 3.97Å; P98-F200 HydrophobicContact CB-CE1 4.16Å; P98-F200 HydrophobicContact CB-CZ 4.41Å; I198-F200 HydrophobicContact CB-CZ 4.49Å; I198-F200 HydrophobicContact CG2-CD1 3.65Å; I198-F200 HydrophobicContact CG2-CD2 4.32Å; I198-F200 HydrophobicContact CG2-CE1 3.26Å; I198-F200 HydrophobicContact CG2-CE2 3.96Å; I198-F200 HydrophobicContact CG2-CG 4.2Å; I198-F200 HydrophobicContact CG2-CZ 3.44Å; I198-F200 VanDerWaalsContact CG2-CZ 3.44Å; I198-F200 PolarHBondContact O-N 3.2Å; I198-F200 VanDerWaalsContact O-N 3.16Å; F200-F209 AromaticContact CD2-CE1 3.63Å; F200-F209 HydrophobicContact CD2-CE1 3.63Å; F200-F209 HydrophobicContact CD2-CE2 4.05Å; F200-F209 AromaticContact CD2-CZ 3.3Å; F200-F209 HydrophobicContact CD2-CZ 3.3Å; F200-F209 HydrophobicContact CE2-CD1 4.47Å; F200-F209 AromaticContact CE2-CE1 3.52Å; F200-F209 HydrophobicContact CE2-CE1 3.52Å; F200-F209 AromaticContact CE2-CZ 3.7Å; F200-F209 HydrophobicContact CE2-CZ 3.7Å; F200-F209 HydrophobicContact CG-CZ 4.41Å
201I79.3Confident84.4Confident9 Ų976.1 Ų76.15%0.04642%0.418CS..THydrogen-bonded Turntrans-92.8-36.7174.6-53.2-173.6000109.3F86 I198 C199 E203 K204 F206 F209F86-I201 HydrophobicContact CZ-CD1 4.38Å; I198-I201 HydrophobicContact CB-CD1 4.1Å; I198-I201 HydrophobicContact CB-CG1 4.11Å; I198-I201 HydrophobicContact CD1-CD1 3.82Å; I198-I201 HydrophobicContact CG1-CD1 4.48Å; I198-I201 PolarHBondContact O-N 3.2Å; C199-I201 VanDerWaalsContact C-N 3.31Å; C199-I201 PolarHBondContact O-N 2.86Å; I201-E203 PolarHBondContact O-N 3.17Å; I201-K204 HydrophobicContact CG2-CB 4.37Å; I201-K204 WeakPolarHBondContact CG2-O 3.13Å; I201-K204 WeakPolarHBondContact O-CB 3.44Å; I201-K204 WeakPolarHBondContact O-CG 3.3Å; I201-K204 PolarHBondContact O-N 3.47Å; I201-F206 HydrophobicContact CD1-CD2 3.4Å; I201-F206 VanDerWaalsContact CD1-CD2 3.4Å; I201-F206 HydrophobicContact CD1-CE2 3.64Å; I201-F209 HydrophobicContact CD1-CD1 3.92Å; I201-F209 HydrophobicContact CD1-CE1 4.26Å; I201-F209 HydrophobicContact CG1-CD1 3.81Å; I201-F209 HydrophobicContact CG1-CD2 4.46Å; I201-F209 HydrophobicContact CG1-CE1 3.95Å; I201-F209 HydrophobicContact CG1-CG 4.1Å; I201-F209 HydrophobicContact CG1-CZ 4.34Å; I201-F209 HydrophobicContact CG2-CB 4.31Å; I201-F209 HydrophobicContact CG2-CG 4.35Å
202G79.8Confident84.2Confident31 Ų3174.2 Ų74.232%0.3241%0.411SS..THydrogen-bonded Turntrans55-129.1-176.500000111.2I198 C199 K204I198-G202 PolarHBondContact O-N 2.99Å; C199-G202 PolarHBondContact O-N 2.86Å; G202-K204 VanDerWaalsContact C-N 3.33Å
203E74.2Confident84.1Confident195 Ų19575.2 Ų75.291%0.91141%0.414SS*.THydrogen-bonded Turntrans-87-0.5178.4-57.5-168.7161.700113.5I201I201-E203 PolarHBondContact O-N 3.17Å
204K79.7Confident84.2Confident93 Ų9367 Ų6740%0.40438%0.379SS..SBendtrans-68.6151.6-177.9-59.9178.9180178.30111.1D42 I201 G202 F206D42-K204 WeakPolarHBondContact OD1-CE 3.49Å; D42-K204 IonicContact OD1-NZ 3.83Å; D42-K204 PolarHBondContact OD1-NZ 3.46Å; D42-K204 VanDerWaalsContact OD2-CE 3.26Å; D42-K204 WeakPolarHBondContact OD2-CE 3.34Å; D42-K204 IonicContact OD2-NZ 2.78Å; D42-K204 PolarHBondContact OD2-NZ 3.04Å; I201-K204 HydrophobicContact CG2-CB 4.37Å; I201-K204 WeakPolarHBondContact CG2-O 3.13Å; I201-K204 WeakPolarHBondContact O-CB 3.44Å; I201-K204 WeakPolarHBondContact O-CG 3.3Å; I201-K204 PolarHBondContact O-N 3.47Å; G202-K204 VanDerWaalsContact C-N 3.33Å; K204-F206 PolarHBondContact O-N 2.87Å
205N85.1Confident84.5Confident102 Ų10269.3 Ų69.355%0.54540%0.397SS..  trans-65.2119.3176.1-175.3-76000110.6K207 T208 F209N205-K207 VanDerWaalsContact C-N 3.28Å; N205-K207 PolarHBondContact O-N 3.44Å; N205-K207 VanDerWaalsContact OD1-CB 3.25Å; N205-K207 WeakPolarHBondContact OD1-CB 3.45Å; N205-K207 PolarHBondContact OD1-N 3.46Å; N205-T208 PolarHBondContact O-N 3.34Å; N205-T208 VanDerWaalsContact O-N 3.12Å; N205-T208 PolarHBondContact OD1-N 2.89Å; N205-F209 PolarHBondContact O-N 2.94Å
206F87.2Confident85Confident65 Ų6566.4 Ų66.429%0.28538%0.379SS..Hα-helixtrans-51.3-43.2-178.7-178.7-93.5000113.6F86 Y90 I198 I201 K204 F209 L210F86-F206 HydrophobicContact CE2-CE2 4.5Å; F86-F206 AromaticContact CZ-CE2 3.97Å; F86-F206 HydrophobicContact CZ-CE2 3.97Å; F86-F206 HydrophobicContact CZ-CZ 4.29Å; Y90-F206 HydrophobicContact CE1-CZ 4.49Å; Y90-F206 HydrophobicContact CE2-CZ 4.07Å; Y90-F206 AromaticContact CZ-CZ 3.69Å; Y90-F206 VanDerWaalsContact OH-CZ 3.23Å; Y90-F206 WeakPolarHBondContact OH-CZ 3.32Å; I198-F206 HydrophobicContact CD1-CE2 4.44Å; I201-F206 HydrophobicContact CD1-CD2 3.4Å; I201-F206 VanDerWaalsContact CD1-CD2 3.4Å; I201-F206 HydrophobicContact CD1-CE2 3.64Å; K204-F206 PolarHBondContact O-N 2.87Å; F206-F209 PolarHBondContact O-N 2.95Å; F206-L210 HydrophobicContact CE1-CB 4.49Å; F206-L210 HydrophobicContact CE1-CD2 3.81Å; F206-L210 HydrophobicContact CZ-CD2 3.88Å; F206-L210 WeakPolarHBondContact O-CB 3.11Å; F206-L210 PolarHBondContact O-N 3.27Å
207K87.9Confident85.8Confident92 Ų9267.3 Ų67.340%0.438%0.376SS..Hα-helixtrans-65.1-45.9-178.7-171.4-174.5-177.5178.30111N205 S211 S233 Y237N205-K207 VanDerWaalsContact C-N 3.28Å; N205-K207 PolarHBondContact O-N 3.44Å; N205-K207 VanDerWaalsContact OD1-CB 3.25Å; N205-K207 WeakPolarHBondContact OD1-CB 3.45Å; N205-K207 PolarHBondContact OD1-N 3.46Å; K207-S211 WeakPolarHBondContact O-CB 3.44Å; K207-S211 PolarHBondContact O-N 3.39Å; K207-S211 VanDerWaalsContact O-N 3.09Å; K207-S233 PolarHBondContact NZ-OG 3.46Å; K207-Y237 HydrophobicContact CB-CD1 4.16Å; K207-Y237 HydrophobicContact CB-CE1 4.04Å; K207-Y237 HydrophobicContact CD-CD2 4.44Å; K207-Y237 HydrophobicContact CD-CE2 4.35Å; K207-Y237 HydrophobicContact CG-CD1 3.72Å; K207-Y237 HydrophobicContact CG-CD2 4.04Å; K207-Y237 HydrophobicContact CG-CE1 3.45Å; K207-Y237 VanDerWaalsContact CG-CE1 3.45Å; K207-Y237 HydrophobicContact CG-CE2 3.77Å; K207-Y237 HydrophobicContact CG-CG 3.99Å; K207-Y237 VanDerWaalsContact CG-CZ 3.46Å; K207-Y237 PolarHBondContact O-OH 3.47Å
208T88.7Confident86.6Confident82 Ų8268.5 Ų68.550%0.50337%0.372SS..Hα-helixtrans-62.1-48.3176.7-56.40000110.7N205 S211N205-T208 PolarHBondContact O-N 3.34Å; N205-T208 VanDerWaalsContact O-N 3.12Å; N205-T208 PolarHBondContact OD1-N 2.89Å; T208-S211 PolarHBondContact O-N 3.12Å; T208-S211 PolarHBondContact O-OG 3.07Å
209F90Very high87.3Confident6 Ų667.6 Ų67.63%0.02637%0.37CS..Hα-helixtrans-56.3-55.3178175.5-90000111.4W40 F83 F86 F200 I201 N205 F206 S211 Q212 Y213W40-F209 HydrophobicContact CZ2-CE2 4.29Å; W40-F209 HydrophobicContact CZ2-CZ 4.24Å; F83-F209 AromaticContact CE2-CE1 3.77Å; F83-F209 HydrophobicContact CE2-CE1 3.77Å; F83-F209 AromaticContact CE2-CZ 3.6Å; F83-F209 HydrophobicContact CE2-CZ 3.6Å; F83-F209 HydrophobicContact CZ-CE1 4.14Å; F83-F209 AromaticContact CZ-CZ 3.88Å; F83-F209 HydrophobicContact CZ-CZ 3.88Å; F86-F209 HydrophobicContact CE1-CE1 4.4Å; F200-F209 AromaticContact CD2-CE1 3.63Å; F200-F209 HydrophobicContact CD2-CE1 3.63Å; F200-F209 HydrophobicContact CD2-CE2 4.05Å; F200-F209 AromaticContact CD2-CZ 3.3Å; F200-F209 HydrophobicContact CD2-CZ 3.3Å; F200-F209 HydrophobicContact CE2-CD1 4.47Å; F200-F209 AromaticContact CE2-CE1 3.52Å; F200-F209 HydrophobicContact CE2-CE1 3.52Å; F200-F209 AromaticContact CE2-CZ 3.7Å; F200-F209 HydrophobicContact CE2-CZ 3.7Å; F200-F209 HydrophobicContact CG-CZ 4.41Å; I201-F209 HydrophobicContact CD1-CD1 3.92Å; I201-F209 HydrophobicContact CD1-CE1 4.26Å; I201-F209 HydrophobicContact CG1-CD1 3.81Å; I201-F209 HydrophobicContact CG1-CD2 4.46Å; I201-F209 HydrophobicContact CG1-CE1 3.95Å; I201-F209 HydrophobicContact CG1-CG 4.1Å; I201-F209 HydrophobicContact CG1-CZ 4.34Å; I201-F209 HydrophobicContact CG2-CB 4.31Å; I201-F209 HydrophobicContact CG2-CG 4.35Å; N205-F209 PolarHBondContact O-N 2.94Å; F206-F209 PolarHBondContact O-N 2.95Å; F209-S211 VanDerWaalsContact C-N 3.25Å; F209-S211 PolarHBondContact O-N 2.77Å; F209-Q212 WeakPolarHBondContact O-CB 3.45Å; F209-Q212 PolarHBondContact O-N 3.41Å; F209-Q212 VanDerWaalsContact O-N 3.11Å; F209-Y213 HydrophobicContact CD1-CE2 4.5Å; F209-Y213 HydrophobicContact CD2-CE2 4.31Å; F209-Y213 HydrophobicContact CE1-CD2 4.2Å; F209-Y213 AromaticContact CE1-CE2 3.97Å; F209-Y213 HydrophobicContact CE1-CE2 3.97Å; F209-Y213 AromaticContact CE2-CE2 3.79Å; F209-Y213 HydrophobicContact CE2-CE2 3.79Å; F209-Y213 HydrophobicContact CZ-CD2 4.24Å; F209-Y213 AromaticContact CZ-CE2 3.57Å; F209-Y213 HydrophobicContact CZ-CE2 3.57Å; F209-Y213 WeakPolarHBondContact O-CD2 3.19Å
210L91.1Very high88.2Confident0 Ų065.7 Ų65.70%035%0.354CS..Hα-helixtrans-65.6-30.1-175.2-17165000112.5F86 L87 Y90 F206 Q212 Y213 L214 M236 Y237F86-L210 HydrophobicContact CE1-CD1 3.78Å; F86-L210 HydrophobicContact CZ-CD1 4.35Å; L87-L210 HydrophobicContact CD2-CD1 4.07Å; Y90-L210 HydrophobicContact CD1-CD2 4.41Å; Y90-L210 HydrophobicContact CD2-CD1 4.02Å; Y90-L210 HydrophobicContact CD2-CD2 4.17Å; Y90-L210 HydrophobicContact CE1-CD2 4.5Å; Y90-L210 HydrophobicContact CE2-CD1 4.38Å; Y90-L210 HydrophobicContact CE2-CD2 4.28Å; Y90-L210 HydrophobicContact CG-CD2 4.26Å; F206-L210 HydrophobicContact CE1-CB 4.49Å; F206-L210 HydrophobicContact CE1-CD2 3.81Å; F206-L210 HydrophobicContact CZ-CD2 3.88Å; F206-L210 WeakPolarHBondContact O-CB 3.11Å; F206-L210 PolarHBondContact O-N 3.27Å; L210-Q212 PolarHBondContact O-N 3.14Å; L210-Y213 PolarHBondContact O-N 3.09Å; L210-Y213 VanDerWaalsContact O-N 3.13Å; L210-L214 HydrophobicContact CD1-CD1 4.02Å; L210-L214 HydrophobicContact CG-CD1 4.44Å; L210-L214 PolarHBondContact O-N 3.09Å; L210-M236 HydrophobicContact CD2-CB 3.97Å; L210-M236 HydrophobicContact CD2-CG 3.54Å; L210-M236 HydrophobicContact CG-CG 4.38Å; L210-Y237 HydrophobicContact CB-CE1 4.18Å; L210-Y237 HydrophobicContact CD2-CD1 4.29Å; L210-Y237 HydrophobicContact CD2-CE1 4.15Å
211S91.8Very high89.1Confident57 Ų5765.8 Ų65.840%0.39936%0.355SS..Hα-helixtrans-64.1-19.2176.774.90000114.6K207 T208 F209 Y213 Y237K207-S211 WeakPolarHBondContact O-CB 3.44Å; K207-S211 PolarHBondContact O-N 3.39Å; K207-S211 VanDerWaalsContact O-N 3.09Å; T208-S211 PolarHBondContact O-N 3.12Å; T208-S211 PolarHBondContact O-OG 3.07Å; F209-S211 VanDerWaalsContact C-N 3.25Å; F209-S211 PolarHBondContact O-N 2.77Å; S211-Y213 VanDerWaalsContact C-N 3.27Å; S211-Y237 WeakPolarHBondContact CB-OH 3.41Å
212Q91.2Very high89.9Confident131 Ų13167 Ų6761%0.61236%0.361SS*.THydrogen-bonded Turntrans-73.9-20.9176.1-63.5172.9-10.800112.4F209 L210F209-Q212 WeakPolarHBondContact O-CB 3.45Å; F209-Q212 PolarHBondContact O-N 3.41Å; F209-Q212 VanDerWaalsContact O-N 3.11Å; L210-Q212 PolarHBondContact O-N 3.14Å
213Y92.6Very high90.7Very high76 Ų7665.8 Ų65.830%0.29835%0.347SS..THydrogen-bonded Turntrans-115.5-30.6-173.5-58.6-81.9000113.4W79 F83 L87 F209 L210 S211W79-Y213 HydrophobicContact CH2-CD1 4.42Å; W79-Y213 AromaticContact CH2-CE1 3.88Å; W79-Y213 HydrophobicContact CH2-CE1 3.88Å; W79-Y213 HydrophobicContact CZ3-CE1 4.24Å; F83-Y213 AromaticContact CE1-CD1 3.62Å; F83-Y213 HydrophobicContact CE1-CD1 3.62Å; F83-Y213 HydrophobicContact CE1-CD2 4.46Å; F83-Y213 AromaticContact CE1-CE1 3.58Å; F83-Y213 HydrophobicContact CE1-CE1 3.58Å; F83-Y213 HydrophobicContact CE1-CE2 4.45Å; F83-Y213 HydrophobicContact CE1-CG 4.07Å; F83-Y213 AromaticContact CZ-CD1 3.75Å; F83-Y213 HydrophobicContact CZ-CD1 3.75Å; F83-Y213 AromaticContact CZ-CD2 3.74Å; F83-Y213 HydrophobicContact CZ-CD2 3.74Å; F83-Y213 AromaticContact CZ-CE1 3.72Å; F83-Y213 HydrophobicContact CZ-CE1 3.72Å; F83-Y213 AromaticContact CZ-CE2 3.73Å; F83-Y213 HydrophobicContact CZ-CE2 3.73Å; F83-Y213 AromaticContact CZ-CG 3.75Å; F83-Y213 HydrophobicContact CZ-CG 3.75Å; F83-Y213 AromaticContact CZ-CZ 3.71Å; L87-Y213 HydrophobicContact CD1-CD1 4.44Å; L87-Y213 HydrophobicContact CD1-CG 4.46Å; L87-Y213 HydrophobicContact CD2-CG 4.31Å; F209-Y213 HydrophobicContact CD1-CE2 4.5Å; F209-Y213 HydrophobicContact CD2-CE2 4.31Å; F209-Y213 HydrophobicContact CE1-CD2 4.2Å; F209-Y213 AromaticContact CE1-CE2 3.97Å; F209-Y213 HydrophobicContact CE1-CE2 3.97Å; F209-Y213 AromaticContact CE2-CE2 3.79Å; F209-Y213 HydrophobicContact CE2-CE2 3.79Å; F209-Y213 HydrophobicContact CZ-CD2 4.24Å; F209-Y213 AromaticContact CZ-CE2 3.57Å; F209-Y213 HydrophobicContact CZ-CE2 3.57Å; F209-Y213 WeakPolarHBondContact O-CD2 3.19Å; L210-Y213 PolarHBondContact O-N 3.09Å; L210-Y213 VanDerWaalsContact O-N 3.13Å; S211-Y213 VanDerWaalsContact C-N 3.27Å
214L92.6Very high91.6Very high15 Ų1560 Ų608%0.07932%0.322CS..SBendtrans-124.5128.4179.4-63.2177.5000110.6L87 Y90 K91 L210 A216L87-L214 HydrophobicContact CD2-CD1 4.25Å; L87-L214 HydrophobicContact CD2-CG 4.13Å; Y90-L214 HydrophobicContact CG-CD1 4.49Å; K91-L214 HydrophobicContact CD-CD2 4.26Å; K91-L214 HydrophobicContact CG-CD2 3.74Å; L210-L214 HydrophobicContact CD1-CD1 4.02Å; L210-L214 HydrophobicContact CG-CD1 4.44Å; L210-L214 PolarHBondContact O-N 3.09Å; L214-A216 PolarHBondContact O-N 3.2Å
215P90.5Very high92.3Very high103 Ų10362 Ų6267%0.66934%0.337SS*.  trans-65.6123.5177.927.5-33.4000109.9Q217P215-Q217 PolarHBondContact O-N 3.31Å
216A89.6Confident92.7Very high47 Ų4759.7 Ų59.739%0.38834%0.337SS..  trans-68124.9173.200000110.6L214 P218 M236 Y237L214-A216 PolarHBondContact O-N 3.2Å; A216-P218 WeakPolarHBondContact O-CD 3.35Å; A216-M236 VanDerWaalsContact CA-CE 3.43Å; A216-M236 HydrophobicContact CB-CE 3.68Å; A216-Y237 HydrophobicContact CB-CE2 4.04Å
217Q92.3Very high93.1Very high124 Ų12462.6 Ų62.658%0.57935%0.35SS*.  trans-112.495.7175.7-62.6-164.7-0.700109.8P215 G234 N265P215-Q217 PolarHBondContact O-N 3.31Å; Q217-G234 WeakPolarHBondContact O-CA 3.14Å; Q217-N265 PolarHBondContact O-ND2 3.43Å
218P95.3Very high93.5Very high90 Ų9063.8 Ų63.858%0.58436%0.355SS*.  trans-60.2142.2175.7-21.332.9000111.2A216 H232 N265A216-P218 WeakPolarHBondContact O-CD 3.35Å; P218-H232 VanDerWaalsContact CA-O 3.3Å; P218-H232 WeakPolarHBondContact CA-O 3.47Å; P218-H232 WeakPolarHBondContact CB-O 3.03Å; P218-N265 PolarHBondContact O-ND2 3.06Å; P218-N265 VanDerWaalsContact O-ND2 3.14Å
219G96.7Very high93.9Very high11 Ų1161.7 Ų61.711%0.11334%0.34CS..EExtended strand (participates in β ladder)trans-147.5-171.3-179.700000110.7K231 H232G219-K231 CarbonylContact O-C 3.59Å; G219-K231 WeakPolarHBondContact O-CA 3.2Å; G219-K231 WeakPolarHBondContact O-CB 3.49Å; G219-H232 VanDerWaalsContact C-CD2 3.43Å; G219-H232 VanDerWaalsContact CA-CE1 3.44Å; G219-H232 WeakPolarHBondContact CA-CE1 3.37Å; G219-H232 VanDerWaalsContact CA-NE2 3.29Å; G219-H232 WeakPolarHBondContact CA-NE2 3.2Å; G219-H232 PolarHBondContact N-CE1 3.05Å; G219-H232 PolarHBondContact N-ND1 2.66Å; G219-H232 PolarHBondContact N-O 2.78Å; G219-H232 PolarHBondContact O-N 2.75Å
220D97.6Very high94.1Very high49 Ų4962.7 Ų62.726%0.26235%0.352SS..EExtended strand (participates in β ladder)trans-92.8139.8-175.4-73.4-25.5000111.5I222 K228 H232 V266 L267D220-I222 HydrophobicContact CB-CD1 4.15Å; D220-I222 HydrophobicContact CB-CG1 4.01Å; D220-K228 WeakPolarHBondContact OD1-CE 3.3Å; D220-K228 IonicContact OD1-NZ 2.7Å; D220-K228 PolarHBondContact OD1-NZ 3.3Å; D220-K228 WeakPolarHBondContact OD2-CE 3.29Å; D220-K228 IonicContact OD2-NZ 3.7Å; D220-K228 PolarHBondContact OD2-NZ 3.38Å; D220-H232 PolarHBondContact O-CD2 3.16Å; D220-V266 WeakPolarHBondContact O-CA 2.95Å; D220-L267 PolarHBondContact O-N 2.99Å
221M97.8Very high94.4Very high4 Ų470 Ų702%0.0238%0.384CS..EExtended strand (participates in β ladder)trans-89.8126.8163.5-68.9-175.9-66.600108.5M229 G230 K231 H232 L246 I248 L267 V269M221-M229 HydrophobicContact CB-CB 4.25Å; M221-M229 PolarHBondContact O-N 2.8Å; M221-G230 PolarHBondContact N-O 3.26Å; M221-K231 VanDerWaalsContact CE-O 3.23Å; M221-K231 WeakPolarHBondContact CE-O 3.34Å; M221-H232 HydrophobicContact CG-CB 3.89Å; M221-H232 HydrophobicContact SD-CB 4.35Å; M221-L246 WeakPolarHBondContact CE-O 3.31Å; M221-L246 HydrophobicContact SD-CD2 4.2Å; M221-I248 HydrophobicContact CE-CD1 4.3Å; M221-I248 HydrophobicContact CE-CG1 4.01Å; M221-I248 HydrophobicContact SD-CD1 4.12Å; M221-I248 HydrophobicContact SD-CG1 4.4Å; M221-L267 WeakPolarHBondContact CA-O 3.46Å; M221-L267 HydrophobicContact CG-CB 4.12Å; M221-L267 HydrophobicContact CG-CD2 3.95Å; M221-L267 HydrophobicContact SD-CD2 4.04Å; M221-V269 HydrophobicContact CB-CG2 4.38Å
222I96.9Very high94.6Very high35 Ų3567.4 Ų67.418%0.17937%0.365CS..EExtended strand (participates in β ladder)trans-135.6144.7-175.5-47.8-178000108.6D220 G226 K227 V266 L267 Y268 V269D220-I222 HydrophobicContact CB-CD1 4.15Å; D220-I222 HydrophobicContact CB-CG1 4.01Å; I222-G226 VanDerWaalsContact CG2-C 3.45Å; I222-K227 CarbonylContact C-O 3.5Å; I222-K227 WeakPolarHBondContact CA-O 3.37Å; I222-K227 WeakPolarHBondContact CG2-O 3.47Å; I222-V266 HydrophobicContact CB-CG1 3.97Å; I222-V266 HydrophobicContact CD1-CG1 3.78Å; I222-V266 HydrophobicContact CD1-CG2 3.92Å; I222-V266 HydrophobicContact CG1-CG1 3.82Å; I222-L267 PolarHBondContact N-O 3.3Å; I222-Y268 CarbonylContact O-C 3.45Å; I222-Y268 WeakPolarHBondContact O-CA 3.5Å; I222-V269 PolarHBondContact O-N 3.02Å
223T95.9Very high94.7Very high4 Ų463.1 Ų63.13%0.02535%0.35CS..  trans-75.7168.7167.154.90000111.4D225 G226 K227 M229 W255 V269T223-D225 VanDerWaalsContact CB-OD1 3.27Å; T223-D225 WeakPolarHBondContact CB-OD1 3.32Å; T223-D225 PolarHBondContact O-N 3.14Å; T223-D225 PolarHBondContact OG1-OD1 2.63Å; T223-G226 PolarHBondContact O-N 3.11Å; T223-G226 VanDerWaalsContact O-N 3.1Å; T223-G226 PolarHBondContact OG1-N 3.21Å; T223-K227 HydrophobicContact CG2-CB 4.23Å; T223-K227 PolarHBondContact N-O 3.22Å; T223-K227 WeakPolarHBondContact OG1-CA 3.4Å; T223-K227 VanDerWaalsContact OG1-CB 3.25Å; T223-K227 WeakPolarHBondContact OG1-CB 3.18Å; T223-K227 PolarHBondContact OG1-N 3.37Å; T223-K227 PolarHBondContact OG1-O 2.84Å; T223-M229 HydrophobicContact CG2-CG 3.66Å; T223-M229 HydrophobicContact CG2-SD 3.99Å; T223-W255 HydrophobicContact CG2-CH2 3.94Å; T223-W255 HydrophobicContact CG2-CZ3 3.71Å; T223-V269 WeakPolarHBondContact CA-O 3.27Å
224L93.1Very high94.8Very high75 Ų7559.6 Ų59.639%0.39334%0.336SS..THydrogen-bonded Turntrans-67.7-24.3176.3-63.6174.1000112.5G226 V258 Y268 E270 A277L224-G226 VanDerWaalsContact C-N 3.29Å; L224-V258 HydrophobicContact CD1-CG2 4.18Å; L224-V258 HydrophobicContact CD2-CG2 4.24Å; L224-V258 HydrophobicContact CG-CG2 4.15Å; L224-Y268 HydrophobicContact CD2-CD1 4Å; L224-Y268 HydrophobicContact CD2-CG 4.1Å; L224-E270 WeakPolarHBondContact CB-OE1 3.46Å; L224-E270 HydrophobicContact CD1-CG 4.06Å; L224-E270 HydrophobicContact CG-CG 4.13Å; L224-E270 WeakPolarHBondContact CG-OE1 3.33Å; L224-E270 PolarHBondContact N-OE1 2.99Å; L224-A277 HydrophobicContact CD1-CB 3.42Å; L224-A277 VanDerWaalsContact CD1-CB 3.42Å
225D93.9Very high94.9Very high134 Ų13459.2 Ų59.272%0.71733%0.334SS*.THydrogen-bonded Turntrans-84.21.6172.675.2-10.7000113.9T223 K227T223-D225 VanDerWaalsContact CB-OD1 3.27Å; T223-D225 WeakPolarHBondContact CB-OD1 3.32Å; T223-D225 PolarHBondContact O-N 3.14Å; T223-D225 PolarHBondContact OG1-OD1 2.63Å; D225-K227 PolarHBondContact OD1-N 3.06Å
226G94.6Very high95.1Very high53 Ų5355.1 Ų55.155%0.54631%0.306SS..  trans92.14.8172.600000115.7I222 T223 L224 K228I222-G226 VanDerWaalsContact CG2-C 3.45Å; T223-G226 PolarHBondContact O-N 3.11Å; T223-G226 VanDerWaalsContact O-N 3.1Å; T223-G226 PolarHBondContact OG1-N 3.21Å; L224-G226 VanDerWaalsContact C-N 3.29Å; G226-K228 PolarHBondContact O-N 2.91Å
227K95.7Very high95.3Very high126 Ų12654.2 Ų54.255%0.54829%0.293SS..  trans-71.7125.2174.8-176.5-175.1175.1-1750111I222 T223 D225 M229I222-K227 CarbonylContact C-O 3.5Å; I222-K227 WeakPolarHBondContact CA-O 3.37Å; I222-K227 WeakPolarHBondContact CG2-O 3.47Å; T223-K227 HydrophobicContact CG2-CB 4.23Å; T223-K227 PolarHBondContact N-O 3.22Å; T223-K227 WeakPolarHBondContact OG1-CA 3.4Å; T223-K227 VanDerWaalsContact OG1-CB 3.25Å; T223-K227 WeakPolarHBondContact OG1-CB 3.18Å; T223-K227 PolarHBondContact OG1-N 3.37Å; T223-K227 PolarHBondContact OG1-O 2.84Å; D225-K227 PolarHBondContact OD1-N 3.06Å; K227-M229 HydrophobicContact CD-SD 3.81Å; K227-M229 HydrophobicContact CG-SD 3.98Å
228K96.2Very high95.4Very high118 Ų11848.9 Ų48.951%0.51327%0.268SS..EExtended strand (participates in β ladder)trans-73.5126.6174.3-172.7167.4-179.7154.40111.1D220 G226D220-K228 WeakPolarHBondContact OD1-CE 3.3Å; D220-K228 IonicContact OD1-NZ 2.7Å; D220-K228 PolarHBondContact OD1-NZ 3.3Å; D220-K228 WeakPolarHBondContact OD2-CE 3.29Å; D220-K228 IonicContact OD2-NZ 3.7Å; D220-K228 PolarHBondContact OD2-NZ 3.38Å; G226-K228 PolarHBondContact O-N 2.91Å
229M95.7Very high95.4Very high38 Ų3846.1 Ų46.119%0.18725%0.249CC..EExtended strand (participates in β ladder)trans-110.6-12.7-174.4-63.9-54.4-58.300114.1M221 T223 K227 I248 W255 V269M221-M229 HydrophobicContact CB-CB 4.25Å; M221-M229 PolarHBondContact O-N 2.8Å; T223-M229 HydrophobicContact CG2-CG 3.66Å; T223-M229 HydrophobicContact CG2-SD 3.99Å; K227-M229 HydrophobicContact CD-SD 3.81Å; K227-M229 HydrophobicContact CG-SD 3.98Å; M229-I248 HydrophobicContact CB-CD1 3.99Å; M229-I248 HydrophobicContact CE-CG2 3.64Å; M229-W255 HydrophobicContact CE-CD2 4.44Å; M229-W255 HydrophobicContact CE-CH2 3.41Å; M229-W255 VanDerWaalsContact CE-CH2 3.41Å; M229-W255 HydrophobicContact CE-CZ2 3.25Å; M229-W255 HydrophobicContact CE-CZ3 4.08Å; M229-W255 HydrophobicContact CG-CH2 4.26Å; M229-W255 HydrophobicContact CG-CZ3 4.22Å; M229-W255 HydrophobicContact SD-CH2 3.81Å; M229-W255 HydrophobicContact SD-CZ2 4.25Å; M229-W255 HydrophobicContact SD-CZ3 4.37Å; M229-V269 HydrophobicContact CB-CG2 4.03Å; M229-V269 HydrophobicContact CG-CG2 3.92Å
230G95.4Very high95.4Very high27 Ų2745.8 Ų45.828%0.27825%0.245SC..EExtended strand (participates in β ladder)trans151.9-156.2178.900000112M221M221-G230 PolarHBondContact N-O 3.26Å
231K96.8Very high95.3Very high153 Ų15344 Ų4467%0.66524%0.237SC*.EExtended strand (participates in β ladder)trans-118.7140.3173.2-66.2-167.2175.3-170.10111.3G219 M221G219-K231 CarbonylContact O-C 3.59Å; G219-K231 WeakPolarHBondContact O-CA 3.2Å; G219-K231 WeakPolarHBondContact O-CB 3.49Å; M221-K231 VanDerWaalsContact CE-O 3.23Å; M221-K231 WeakPolarHBondContact CE-O 3.34Å
232H96.4Very high95.2Very high2 Ų246.3 Ų46.31%0.00925%0.248CC..EExtended strand (participates in β ladder)trans-93.9158.1169.367.372.4000110.8P218 G219 D220 M221 G234 Y238 N265 L267P218-H232 VanDerWaalsContact CA-O 3.3Å; P218-H232 WeakPolarHBondContact CA-O 3.47Å; P218-H232 WeakPolarHBondContact CB-O 3.03Å; G219-H232 VanDerWaalsContact C-CD2 3.43Å; G219-H232 VanDerWaalsContact CA-CE1 3.44Å; G219-H232 WeakPolarHBondContact CA-CE1 3.37Å; G219-H232 VanDerWaalsContact CA-NE2 3.29Å; G219-H232 WeakPolarHBondContact CA-NE2 3.2Å; G219-H232 PolarHBondContact N-CE1 3.05Å; G219-H232 PolarHBondContact N-ND1 2.66Å; G219-H232 PolarHBondContact N-O 2.78Å; G219-H232 PolarHBondContact O-N 2.75Å; D220-H232 PolarHBondContact O-CD2 3.16Å; M221-H232 HydrophobicContact CG-CB 3.89Å; M221-H232 HydrophobicContact SD-CB 4.35Å; H232-G234 WeakPolarHBondContact ND1-CA 3.29Å; H232-G234 PolarHBondContact ND1-N 3.27Å; H232-Y238 HydrophobicContact CB-CD2 4.4Å; H232-Y238 HydrophobicContact CB-CE2 3.6Å; H232-N265 PolarHBondContact CE1-OD1 3.19Å; H232-N265 VanDerWaalsContact CE1-OD1 3.31Å; H232-N265 PolarHBondContact NE2-O 2.74Å; H232-N265 VanDerWaalsContact NE2-O 3.15Å; H232-L267 HydrophobicContact CB-CB 4.31Å; H232-L267 HydrophobicContact CB-CD2 4.03Å
233S94.2Very high95.1Very high42 Ų4250.8 Ų50.829%0.29426%0.263SS..SBendtrans-82.3-12.4178.8-62.50000114.4K207 Y238K207-S233 PolarHBondContact NZ-OG 3.46Å; S233-Y238 PolarHBondContact N-OH 2.88Å
234G94.6Very high95Very high1 Ų157.2 Ų57.21%0.0129%0.292CS..  trans148.6136.6-17900000109.7Q217 H232 M236 Y237 Y238Q217-G234 WeakPolarHBondContact O-CA 3.14Å; H232-G234 WeakPolarHBondContact ND1-CA 3.29Å; H232-G234 PolarHBondContact ND1-N 3.27Å; G234-M236 VanDerWaalsContact C-SD 3.53Å; G234-M236 PolarHBondContact O-N 3.31Å; G234-M236 VanDerWaalsContact O-N 3.14Å; G234-Y237 PolarHBondContact O-N 2.8Å; G234-Y237 VanDerWaalsContact O-N 3.11Å; G234-Y238 WeakPolarHBondContact O-CD2 3.17Å; G234-Y238 WeakPolarHBondContact O-CE2 3.42Å
235L94.5Very high94.9Very high7 Ų756.5 Ų56.54%0.03730%0.303CS..G310 helixtrans-61.6-25-170.3-66.4178.3000114.3Y237 Y238 K260 L262 L267L235-Y237 PolarHBondContact O-N 2.9Å; L235-Y238 PolarHBondContact O-N 3.17Å; L235-K260 HydrophobicContact CB-CD 4.46Å; L235-K260 HydrophobicContact CD2-CG 4.44Å; L235-K260 WeakPolarHBondContact O-CE 3.1Å; L235-K260 PolarHBondContact O-NZ 2.86Å; L235-L262 HydrophobicContact CD1-CD1 4.22Å; L235-L267 HydrophobicContact CD2-CB 3.8Å; L235-L267 HydrophobicContact CD2-CD1 3.97Å
236M93.4Very high94.9Very high17 Ų1750.6 Ų50.68%0.08427%0.271CS..G310 helixtrans-68.1-16.9178.271.1-66.4-164.700114Y90 L210 A216 G234 Y238Y90-M236 HydrophobicContact CD1-CB 3.69Å; Y90-M236 HydrophobicContact CE1-CB 4.46Å; Y90-M236 VanDerWaalsContact CE1-O 3.3Å; Y90-M236 WeakPolarHBondContact CE1-O 3.43Å; Y90-M236 HydrophobicContact CG-CB 4.18Å; L210-M236 HydrophobicContact CD2-CB 3.97Å; L210-M236 HydrophobicContact CD2-CG 3.54Å; L210-M236 HydrophobicContact CG-CG 4.38Å; A216-M236 VanDerWaalsContact CA-CE 3.43Å; A216-M236 HydrophobicContact CB-CE 3.68Å; G234-M236 VanDerWaalsContact C-SD 3.53Å; G234-M236 PolarHBondContact O-N 3.31Å; G234-M236 VanDerWaalsContact O-N 3.14Å; M236-Y238 VanDerWaalsContact C-N 3.29Å
237Y94.3Very high94.7Very high29 Ų2952.1 Ų52.111%0.11429%0.287CS..G310 helixtrans-87.42.5177.4-57.2-48000114.3K207 L210 S211 A216 G234 L235K207-Y237 HydrophobicContact CB-CD1 4.16Å; K207-Y237 HydrophobicContact CB-CE1 4.04Å; K207-Y237 HydrophobicContact CD-CD2 4.44Å; K207-Y237 HydrophobicContact CD-CE2 4.35Å; K207-Y237 HydrophobicContact CG-CD1 3.72Å; K207-Y237 HydrophobicContact CG-CD2 4.04Å; K207-Y237 HydrophobicContact CG-CE1 3.45Å; K207-Y237 VanDerWaalsContact CG-CE1 3.45Å; K207-Y237 HydrophobicContact CG-CE2 3.77Å; K207-Y237 HydrophobicContact CG-CG 3.99Å; K207-Y237 VanDerWaalsContact CG-CZ 3.46Å; K207-Y237 PolarHBondContact O-OH 3.47Å; L210-Y237 HydrophobicContact CB-CE1 4.18Å; L210-Y237 HydrophobicContact CD2-CD1 4.29Å; L210-Y237 HydrophobicContact CD2-CE1 4.15Å; S211-Y237 WeakPolarHBondContact CB-OH 3.41Å; A216-Y237 HydrophobicContact CB-CE2 4.04Å; G234-Y237 PolarHBondContact O-N 2.8Å; G234-Y237 VanDerWaalsContact O-N 3.11Å; L235-Y237 PolarHBondContact O-N 2.9Å
238Y95.1Very high94.4Very high12 Ų1247.6 Ų47.65%0.04727%0.269CS..  trans-124.3149.8-175.5-57.8-83.6000109.7H232 S233 G234 L235 M236 Q242 L246 V257 K260 L267H232-Y238 HydrophobicContact CB-CD2 4.4Å; H232-Y238 HydrophobicContact CB-CE2 3.6Å; S233-Y238 PolarHBondContact N-OH 2.88Å; G234-Y238 WeakPolarHBondContact O-CD2 3.17Å; G234-Y238 WeakPolarHBondContact O-CE2 3.42Å; L235-Y238 PolarHBondContact O-N 3.17Å; M236-Y238 VanDerWaalsContact C-N 3.29Å; Y238-Q242 VanDerWaalsContact CA-OE1 3.29Å; Y238-L246 HydrophobicContact CD1-CD2 3.91Å; Y238-L246 HydrophobicContact CE1-CD2 3.89Å; Y238-V257 HydrophobicContact CD1-CG2 4.24Å; Y238-K260 WeakPolarHBondContact O-CE 3.25Å; Y238-K260 PolarHBondContact O-NZ 2.88Å; Y238-L267 HydrophobicContact CD1-CD2 3.67Å; Y238-L267 HydrophobicContact CD2-CD1 4.31Å; Y238-L267 HydrophobicContact CD2-CD2 3.88Å; Y238-L267 HydrophobicContact CE1-CD2 3.95Å; Y238-L267 HydrophobicContact CE2-CD2 4.18Å; Y238-L267 HydrophobicContact CG-CD1 4.01Å; Y238-L267 HydrophobicContact CG-CD2 3.62Å
239T95.1Very high93.9Very high31 Ų3145.2 Ų45.219%0.1928%0.278CS..  trans-131.4149173.6-62.10000109.1T95 G241 Q242 V257 T339T95-T239 HydrophobicContact CG2-CG2 4Å; T95-T239 WeakPolarHBondContact CG2-OG1 3.02Å; T95-T239 PolarHBondContact OG1-OG1 2.81Å; T239-G241 PolarHBondContact O-N 3.47Å; T239-Q242 WeakPolarHBondContact O-CB 3.03Å; T239-Q242 PolarHBondContact O-N 2.77Å; T239-V257 WeakPolarHBondContact O-CB 3.26Å; T239-T339 HydrophobicContact CG2-CG2 3.73Å
240I96.2Very high93.1Very high5 Ų546.7 Ų46.73%0.02630%0.303CS..THydrogen-bonded Turntrans-55135.3178.8-50.5-59.5000110Q242 V257 K260 L278 R309 A337 T339 V371I240-Q242 VanDerWaalsContact C-N 3.29Å; I240-Q242 PolarHBondContact O-N 3.34Å; I240-V257 HydrophobicContact CD1-CG1 4.24Å; I240-K260 HydrophobicContact CD1-CG 4.3Å; I240-L278 HydrophobicContact CG2-CD2 4.11Å; I240-R309 PolarHBondContact O-NH2 3.4Å; I240-A337 HydrophobicContact CG2-CB 4.17Å; I240-T339 HydrophobicContact CG1-CG2 4.41Å; I240-V371 HydrophobicContact CD1-CG1 4.46Å; I240-V371 HydrophobicContact CG1-CG1 4.18Å
241G95.8Very high92.3Very high10 Ų1053 Ų5310%0.10333%0.33CS..THydrogen-bonded Turntrans75.94.3-175.700000115.7T239 V257T239-G241 PolarHBondContact O-N 3.47Å; G241-V257 WeakPolarHBondContact CA-O 3.03Å; G241-V257 PolarHBondContact N-O 2.89Å
242Q96.1Very high91.9Very high54 Ų5448.9 Ų48.925%0.25233%0.331SS..  trans-69.3133.9175.9176.1176.8-30.600111.6Y238 T239 I240 H244 F256 V257Y238-Q242 VanDerWaalsContact CA-OE1 3.29Å; T239-Q242 WeakPolarHBondContact O-CB 3.03Å; T239-Q242 PolarHBondContact O-N 2.77Å; I240-Q242 VanDerWaalsContact C-N 3.29Å; I240-Q242 PolarHBondContact O-N 3.34Å; Q242-H244 WeakPolarHBondContact CG-O 3.5Å; Q242-H244 PolarHBondContact NE2-O 2.85Å; Q242-F256 CarbonylContact O-C 3.5Å; Q242-F256 WeakPolarHBondContact O-CA 3.4Å; Q242-V257 HydrophobicContact CB-CB 4.48Å; Q242-V257 HydrophobicContact CB-CG2 4.05Å; Q242-V257 PolarHBondContact O-N 2.99Å
243R95Very high91.6Very high129 Ų12953.8 Ų53.849%0.48736%0.357SS..  trans-96.3-45.2176.8-178.1-174.3170.9-176.60.5113.4P254 F256R243-P254 HydrophobicContact CG-CB 4.27Å; R243-F256 HydrophobicContact CB-CD1 3.88Å; R243-F256 HydrophobicContact CB-CE1 3.67Å; R243-F256 HydrophobicContact CB-CZ 4.4Å; R243-F256 HydrophobicContact CG-CD1 4.49Å; R243-F256 HydrophobicContact CG-CE1 4.05Å; R243-F256 HydrophobicContact CG-CZ 4.3Å
244H92.1Very high91.7Very high138 Ų13854 Ų5464%0.63936%0.357SS*.THydrogen-bonded Turntrans-83.7155-170-63.1-68.4000111.9Q242 L246Q242-H244 WeakPolarHBondContact CG-O 3.5Å; Q242-H244 PolarHBondContact NE2-O 2.85Å; H244-L246 VanDerWaalsContact C-N 3.35Å
245G91.2Very high91.8Very high60 Ų6055.3 Ų55.362%0.61936%0.362SS*.THydrogen-bonded Turntrans82.54.5176.900000115.7
246L93.9Very high91.9Very high10 Ų1055.4 Ų55.45%0.05236%0.362CS..  trans-77.2-29177-62.9177.3000113M221 Y238 H244 I248 W255 V257 L267 V269M221-L246 WeakPolarHBondContact CE-O 3.31Å; M221-L246 HydrophobicContact SD-CD2 4.2Å; Y238-L246 HydrophobicContact CD1-CD2 3.91Å; Y238-L246 HydrophobicContact CE1-CD2 3.89Å; H244-L246 VanDerWaalsContact C-N 3.35Å; L246-I248 HydrophobicContact CB-CD1 4.12Å; L246-I248 HydrophobicContact CB-CG1 4.11Å; L246-I248 PolarHBondContact O-N 3.11Å; L246-W255 HydrophobicContact CD1-CB 3.86Å; L246-W255 WeakPolarHBondContact CD1-O 3.16Å; L246-V257 HydrophobicContact CD2-CG2 3.7Å; L246-L267 HydrophobicContact CD2-CD2 3.92Å; L246-V269 HydrophobicContact CD1-CG1 4.28Å; L246-V269 HydrophobicContact CD2-CG1 4.04Å
247G91.1Very high92.1Very high85 Ų8554.6 Ų54.688%0.87636%0.358SS*.  trans65.317.8-178.200000114.2
248I90.5Very high92.2Very high31 Ų3153.2 Ų53.216%0.15935%0.353CS..  trans-92113.1177.7-55.2169.9000108.2M221 M229 L246 W255 V269M221-I248 HydrophobicContact CE-CD1 4.3Å; M221-I248 HydrophobicContact CE-CG1 4.01Å; M221-I248 HydrophobicContact SD-CD1 4.12Å; M221-I248 HydrophobicContact SD-CG1 4.4Å; M229-I248 HydrophobicContact CB-CD1 3.99Å; M229-I248 HydrophobicContact CE-CG2 3.64Å; L246-I248 HydrophobicContact CB-CD1 4.12Å; L246-I248 HydrophobicContact CB-CG1 4.11Å; L246-I248 PolarHBondContact O-N 3.11Å; I248-W255 HydrophobicContact CB-CB 4.47Å; I248-W255 HydrophobicContact CB-CG 4.07Å; I248-W255 HydrophobicContact CD1-CB 4.27Å; I248-W255 HydrophobicContact CD1-CD2 4.27Å; I248-W255 HydrophobicContact CD1-CE3 4.4Å; I248-W255 HydrophobicContact CD1-CG 4.22Å; I248-W255 HydrophobicContact CG2-CD2 3.91Å; I248-W255 HydrophobicContact CG2-CG 3.8Å; I248-W255 HydrophobicContact CG2-CZ2 4.47Å; I248-V269 HydrophobicContact CD1-CB 4.19Å; I248-V269 HydrophobicContact CD1-CG1 4.23Å; I248-V269 HydrophobicContact CD1-CG2 3.76Å
249G84.7Confident92.2Very high69 Ų6952.7 Ų52.771%0.71135%0.351SS*.  trans-98.3164.9168.700000111.4
250G78.7Confident92.2Very high68 Ų6851.3 Ų51.370%0.70134%0.342SS*.  trans144.5171.6177.200000112
251D78.7Confident92.1Very high160 Ų16052.5 Ų52.586%0.85635%0.348SS*.SBendtrans-73.3155.1175.8-63-35.4000111.4Q271D251-Q271 PolarHBondContact O-NE2 3.41Å; D251-Q271 VanDerWaalsContact O-NE2 3.14Å
252G87.7Confident91.8Very high66 Ų6655.6 Ų55.668%0.6836%0.363SS*.SBendtrans100-162177.200000113.9
253D91.8Very high91.6Very high105 Ų10562.1 Ų62.156%0.56139%0.39SS*.SBendtrans-70.3156.7-176.5-78.8-21.6000112.3Q271D253-Q271 HydrophobicContact CB-CB 4.24Å; D253-Q271 PolarHBondContact O-NE2 2.84Å
254P94.7Very high91.5Very high46 Ų4660.8 Ų60.830%0.29939%0.393SS..PPolyproline II helixtrans-57147.6173.9-2232.4000112.3R243 F256 Q271 G272R243-P254 HydrophobicContact CG-CB 4.27Å; P254-F256 HydrophobicContact CB-CE2 3.93Å; P254-F256 HydrophobicContact CB-CZ 4.19Å; P254-F256 VanDerWaalsContact O-CD2 3.24Å; P254-F256 WeakPolarHBondContact O-CD2 3.23Å; P254-F256 WeakPolarHBondContact O-CE2 3.22Å; P254-Q271 WeakPolarHBondContact O-CA 3.32Å; P254-G272 PolarHBondContact O-N 2.9Å
255W96.8Very high91.6Very high29 Ų2955.9 Ų55.911%0.1137%0.371CS..EExtended strand (participates in β ladder)trans-84.7144.5175.5-6883.7000111.8T223 M229 L246 I248 V269 E270 Q271T223-W255 HydrophobicContact CG2-CH2 3.94Å; T223-W255 HydrophobicContact CG2-CZ3 3.71Å; M229-W255 HydrophobicContact CE-CD2 4.44Å; M229-W255 HydrophobicContact CE-CH2 3.41Å; M229-W255 VanDerWaalsContact CE-CH2 3.41Å; M229-W255 HydrophobicContact CE-CZ2 3.25Å; M229-W255 HydrophobicContact CE-CZ3 4.08Å; M229-W255 HydrophobicContact CG-CH2 4.26Å; M229-W255 HydrophobicContact CG-CZ3 4.22Å; M229-W255 HydrophobicContact SD-CH2 3.81Å; M229-W255 HydrophobicContact SD-CZ2 4.25Å; M229-W255 HydrophobicContact SD-CZ3 4.37Å; L246-W255 HydrophobicContact CD1-CB 3.86Å; L246-W255 WeakPolarHBondContact CD1-O 3.16Å; I248-W255 HydrophobicContact CB-CB 4.47Å; I248-W255 HydrophobicContact CB-CG 4.07Å; I248-W255 HydrophobicContact CD1-CB 4.27Å; I248-W255 HydrophobicContact CD1-CD2 4.27Å; I248-W255 HydrophobicContact CD1-CE3 4.4Å; I248-W255 HydrophobicContact CD1-CG 4.22Å; I248-W255 HydrophobicContact CG2-CD2 3.91Å; I248-W255 HydrophobicContact CG2-CG 3.8Å; I248-W255 HydrophobicContact CG2-CZ2 4.47Å; W255-V269 HydrophobicContact CE3-CB 4.04Å; W255-V269 HydrophobicContact CE3-CG2 3.93Å; W255-V269 HydrophobicContact CZ3-CG2 4.14Å; W255-E270 CarbonylContact C-O 3.48Å; W255-E270 WeakPolarHBondContact CA-O 3.16Å; W255-Q271 HydrophobicContact CD2-CG 3.56Å; W255-Q271 HydrophobicContact CE3-CG 3.9Å; W255-Q271 HydrophobicContact CG-CG 4.13Å; W255-Q271 HydrophobicContact CH2-CG 3.78Å; W255-Q271 HydrophobicContact CZ2-CG 3.42Å; W255-Q271 VanDerWaalsContact CZ2-CG 3.42Å; W255-Q271 HydrophobicContact CZ3-CG 4Å
256F97.5Very high91.9Very high10 Ų1053.8 Ų53.84%0.04435%0.346CS..EExtended strand (participates in β ladder)trans-133.4145.8178.4-63-91.8000110.6Q242 R243 P254 V258 V269 E270 G272 F273 L278Q242-F256 CarbonylContact O-C 3.5Å; Q242-F256 WeakPolarHBondContact O-CA 3.4Å; R243-F256 HydrophobicContact CB-CD1 3.88Å; R243-F256 HydrophobicContact CB-CE1 3.67Å; R243-F256 HydrophobicContact CB-CZ 4.4Å; R243-F256 HydrophobicContact CG-CD1 4.49Å; R243-F256 HydrophobicContact CG-CE1 4.05Å; R243-F256 HydrophobicContact CG-CZ 4.3Å; P254-F256 HydrophobicContact CB-CE2 3.93Å; P254-F256 HydrophobicContact CB-CZ 4.19Å; P254-F256 VanDerWaalsContact O-CD2 3.24Å; P254-F256 WeakPolarHBondContact O-CD2 3.23Å; P254-F256 WeakPolarHBondContact O-CE2 3.22Å; F256-V258 PolarHBondContact O-N 2.94Å; F256-V269 CarbonylContact O-C 3.49Å; F256-V269 VanDerWaalsContact O-CA 3.22Å; F256-V269 WeakPolarHBondContact O-CA 2.98Å; F256-E270 PolarHBondContact N-O 2.92Å; F256-E270 PolarHBondContact O-N 2.56Å; F256-G272 WeakPolarHBondContact CD2-O 3.28Å; F256-G272 VanDerWaalsContact CE2-C 3.49Å; F256-F273 AromaticContact CE1-CD2 3.72Å; F256-F273 HydrophobicContact CE1-CD2 3.72Å; F256-F273 HydrophobicContact CE1-CE2 4.45Å; F256-F273 VanDerWaalsContact CE2-CA 3.48Å; F256-F273 HydrophobicContact CE2-CB 4.09Å; F256-F273 HydrophobicContact CZ-CB 3.86Å; F256-F273 AromaticContact CZ-CD2 3.68Å; F256-F273 HydrophobicContact CZ-CD2 3.68Å; F256-F273 HydrophobicContact CZ-CG 4.25Å; F256-L278 HydrophobicContact CB-CD1 4.28Å
257V97.5Very high92Very high0 Ų053.3 Ų53.30%034%0.343CS..EExtended strand (participates in β ladder)trans-66.3117.5166.4-179.80000108.5Y238 T239 I240 G241 Q242 L246 L267 Y268 L278Y238-V257 HydrophobicContact CD1-CG2 4.24Å; T239-V257 WeakPolarHBondContact O-CB 3.26Å; I240-V257 HydrophobicContact CD1-CG1 4.24Å; G241-V257 WeakPolarHBondContact CA-O 3.03Å; G241-V257 PolarHBondContact N-O 2.89Å; Q242-V257 HydrophobicContact CB-CB 4.48Å; Q242-V257 HydrophobicContact CB-CG2 4.05Å; Q242-V257 PolarHBondContact O-N 2.99Å; L246-V257 HydrophobicContact CD2-CG2 3.7Å; V257-L267 HydrophobicContact CG1-CD1 3.66Å; V257-L267 HydrophobicContact CG1-CG 4.39Å; V257-L267 HydrophobicContact CG2-CD1 4.23Å; V257-L267 HydrophobicContact CG2-CD2 4.23Å; V257-L267 HydrophobicContact CG2-CG 4.47Å; V257-Y268 CarbonylContact C-O 3.52Å; V257-Y268 WeakPolarHBondContact CA-O 3.35Å; V257-L278 WeakPolarHBondContact O-CD2 3.09Å
258V96.6Very high92.3Very high0 Ų051.6 Ų51.60%031%0.311CS..EExtended strand (participates in β ladder)trans-102.7-17.8174.3-57.10000112.5L224 F256 Y268 E270 A277 L278 Y370L224-V258 HydrophobicContact CD1-CG2 4.18Å; L224-V258 HydrophobicContact CD2-CG2 4.24Å; L224-V258 HydrophobicContact CG-CG2 4.15Å; F256-V258 PolarHBondContact O-N 2.94Å; V258-Y268 PolarHBondContact N-O 3.15Å; V258-E270 HydrophobicContact CG1-CB 3.71Å; V258-E270 HydrophobicContact CG1-CG 4.02Å; V258-E270 HydrophobicContact CG2-CB 4.44Å; V258-E270 HydrophobicContact CG2-CG 3.88Å; V258-A277 HydrophobicContact CB-CB 4.22Å; V258-A277 HydrophobicContact CG2-CB 4.48Å; V258-L278 HydrophobicContact CB-CD2 4.19Å; V258-L278 HydrophobicContact CB-CG 4.42Å; V258-L278 HydrophobicContact CG1-CD1 4.31Å; V258-L278 HydrophobicContact CG1-CD2 3.9Å; V258-L278 HydrophobicContact CG1-CG 3.79Å; V258-Y370 WeakPolarHBondContact O-CD2 3.29Å; V258-Y370 VanDerWaalsContact O-CE2 3.31Å; V258-Y370 WeakPolarHBondContact O-CE2 3.49Å
259G95.4Very high92.7Very high0 Ų050.1 Ų50.10%030%0.303CS..EExtended strand (participates in β ladder)trans-166167.7-176.300000114.4Y268 Y370G259-Y268 PolarHBondContact N-O 3.37Å; G259-Y268 PolarHBondContact O-N 2.73Å; G259-Y370 CarbonylContact C-O 3.57Å; G259-Y370 VanDerWaalsContact C-O 3.23Å; G259-Y370 WeakPolarHBondContact CA-O 3.41Å
260K95Very high93.2Very high3 Ų348.1 Ų48.11%0.01328%0.276CS..EExtended strand (participates in β ladder)trans-134.5143.8169.5-61.6178.8-175.8-173.50108.2G93 L235 Y238 I240 L267 Y370 V372G93-K260 PolarHBondContact O-NZ 3.3Å; L235-K260 HydrophobicContact CB-CD 4.46Å; L235-K260 HydrophobicContact CD2-CG 4.44Å; L235-K260 WeakPolarHBondContact O-CE 3.1Å; L235-K260 PolarHBondContact O-NZ 2.86Å; Y238-K260 WeakPolarHBondContact O-CE 3.25Å; Y238-K260 PolarHBondContact O-NZ 2.88Å; I240-K260 HydrophobicContact CD1-CG 4.3Å; K260-L267 HydrophobicContact CG-CD1 3.98Å; K260-Y370 CarbonylContact C-O 3.59Å; K260-Y370 PolarHBondContact N-O 3.29Å; K260-Y370 CarbonylContact O-C 3.53Å; K260-V372 CarbonylContact O-C 3.23Å
261N92.7Very high94Very high29 Ų2948.1 Ų48.116%0.15526%0.257CS..EExtended strand (participates in β ladder)trans-125.9102.4165.8172.9-17.9000106.9K263 D264 N265 V266 Y268N261-K263 VanDerWaalsContact C-N 3.31Å; N261-K263 PolarHBondContact O-N 3.05Å; N261-K263 WeakPolarHBondContact OD1-CB 3.32Å; N261-K263 PolarHBondContact OD1-N 3.38Å; N261-K263 VanDerWaalsContact OD1-N 3.07Å; N261-D264 PolarHBondContact ND2-OD2 2.99Å; N261-D264 PolarHBondContact OD1-N 2.89Å; N261-N265 WeakPolarHBondContact O-CA 3.35Å; N261-N265 PolarHBondContact O-N 2.86Å; N261-V266 HydrophobicContact CB-CB 4.43Å; N261-V266 PolarHBondContact N-O 2.83Å; N261-V266 PolarHBondContact O-N 2.92Å; N261-Y268 HydrophobicContact CB-CE2 3.81Å
262L91.2Very high94.8Very high76 Ų7640.9 Ų40.940%0.39822%0.221SC..THydrogen-bonded Turntrans-64.1-36.1-178.7-174.465.2000112.5K91 L235 N265K91-L262 WeakPolarHBondContact O-CD2 3.22Å; L235-L262 HydrophobicContact CD1-CD1 4.22Å; L262-N265 PolarHBondContact O-N 3.38Å
263K91Very high95.2Very high190 Ų19043.1 Ų43.183%0.82621%0.212SC*.THydrogen-bonded Turntrans-64.6-45.9-176.8179.7-177.1173.9-174.40112.1N261N261-K263 VanDerWaalsContact C-N 3.31Å; N261-K263 PolarHBondContact O-N 3.05Å; N261-K263 WeakPolarHBondContact OD1-CB 3.32Å; N261-K263 PolarHBondContact OD1-N 3.38Å; N261-K263 VanDerWaalsContact OD1-N 3.07Å
264D92.9Very high95.4Very high102 Ų10244.2 Ų44.255%0.54521%0.214SC..THydrogen-bonded Turntrans-94.6-1.1-178.1-57.7-40.4000112.3N261 V266N261-D264 PolarHBondContact ND2-OD2 2.99Å; N261-D264 PolarHBondContact OD1-N 2.89Å; D264-V266 HydrophobicContact CB-CG2 4.15Å
265N94.9Very high95.4Very high35 Ų3544.6 Ų44.619%0.18721%0.211CC..THydrogen-bonded Turntrans51.453.6-175.5-165.435.1000112.5Q217 P218 H232 N261 L262Q217-N265 PolarHBondContact O-ND2 3.43Å; P218-N265 PolarHBondContact O-ND2 3.06Å; P218-N265 VanDerWaalsContact O-ND2 3.14Å; H232-N265 PolarHBondContact CE1-OD1 3.19Å; H232-N265 VanDerWaalsContact CE1-OD1 3.31Å; H232-N265 PolarHBondContact NE2-O 2.74Å; H232-N265 VanDerWaalsContact NE2-O 3.15Å; N261-N265 WeakPolarHBondContact O-CA 3.35Å; N261-N265 PolarHBondContact O-N 2.86Å; L262-N265 PolarHBondContact O-N 3.38Å
266V96.2Very high95.3Very high15 Ų1548.4 Ų48.49%0.09123%0.234CC..EExtended strand (participates in β ladder)trans-118.2134.5-178.8172.20000110.4D220 I222 N261 D264 Y268D220-V266 WeakPolarHBondContact O-CA 2.95Å; I222-V266 HydrophobicContact CB-CG1 3.97Å; I222-V266 HydrophobicContact CD1-CG1 3.78Å; I222-V266 HydrophobicContact CD1-CG2 3.92Å; I222-V266 HydrophobicContact CG1-CG1 3.82Å; N261-V266 HydrophobicContact CB-CB 4.43Å; N261-V266 PolarHBondContact N-O 2.83Å; N261-V266 PolarHBondContact O-N 2.92Å; D264-V266 HydrophobicContact CB-CG2 4.15Å; V266-Y268 HydrophobicContact CG1-CD1 4.19Å; V266-Y268 HydrophobicContact CG1-CE1 3.91Å; V266-Y268 HydrophobicContact CG1-CE2 4.34Å
267L97.4Very high95.2Very high0 Ų048.3 Ų48.30%024%0.235CC..EExtended strand (participates in β ladder)trans-102.1118.1170.5-173.873.3000109.4D220 M221 I222 H232 L235 Y238 L246 V257 K260 V269D220-L267 PolarHBondContact O-N 2.99Å; M221-L267 WeakPolarHBondContact CA-O 3.46Å; M221-L267 HydrophobicContact CG-CB 4.12Å; M221-L267 HydrophobicContact CG-CD2 3.95Å; M221-L267 HydrophobicContact SD-CD2 4.04Å; I222-L267 PolarHBondContact N-O 3.3Å; H232-L267 HydrophobicContact CB-CB 4.31Å; H232-L267 HydrophobicContact CB-CD2 4.03Å; L235-L267 HydrophobicContact CD2-CB 3.8Å; L235-L267 HydrophobicContact CD2-CD1 3.97Å; Y238-L267 HydrophobicContact CD1-CD2 3.67Å; Y238-L267 HydrophobicContact CD2-CD1 4.31Å; Y238-L267 HydrophobicContact CD2-CD2 3.88Å; Y238-L267 HydrophobicContact CE1-CD2 3.95Å; Y238-L267 HydrophobicContact CE2-CD2 4.18Å; Y238-L267 HydrophobicContact CG-CD1 4.01Å; Y238-L267 HydrophobicContact CG-CD2 3.62Å; L246-L267 HydrophobicContact CD2-CD2 3.92Å; V257-L267 HydrophobicContact CG1-CD1 3.66Å; V257-L267 HydrophobicContact CG1-CG 4.39Å; V257-L267 HydrophobicContact CG2-CD1 4.23Å; V257-L267 HydrophobicContact CG2-CD2 4.23Å; V257-L267 HydrophobicContact CG2-CG 4.47Å; K260-L267 HydrophobicContact CG-CD1 3.98Å; L267-V269 HydrophobicContact CD2-CG1 4.33Å; L267-V269 HydrophobicContact CG-CG1 4.35Å
268Y97.2Very high95.1Very high49 Ų4948.6 Ų48.619%0.19224%0.236CC..EExtended strand (participates in β ladder)trans-84.1130.2177.4-65.2-72.3000111.5I222 L224 V257 V258 G259 N261 V266I222-Y268 CarbonylContact O-C 3.45Å; I222-Y268 WeakPolarHBondContact O-CA 3.5Å; L224-Y268 HydrophobicContact CD2-CD1 4Å; L224-Y268 HydrophobicContact CD2-CG 4.1Å; V257-Y268 CarbonylContact C-O 3.52Å; V257-Y268 WeakPolarHBondContact CA-O 3.35Å; V258-Y268 PolarHBondContact N-O 3.15Å; G259-Y268 PolarHBondContact N-O 3.37Å; G259-Y268 PolarHBondContact O-N 2.73Å; N261-Y268 HydrophobicContact CB-CE2 3.81Å; V266-Y268 HydrophobicContact CG1-CD1 4.19Å; V266-Y268 HydrophobicContact CG1-CE1 3.91Å; V266-Y268 HydrophobicContact CG1-CE2 4.34Å
269V97.3Very high95.1Very high0 Ų051 Ų510%025%0.246CC..EExtended strand (participates in β ladder)trans-132.4140.4-178.1-65.20000111.6M221 I222 T223 M229 L246 I248 W255 F256 L267M221-V269 HydrophobicContact CB-CG2 4.38Å; I222-V269 PolarHBondContact O-N 3.02Å; T223-V269 WeakPolarHBondContact CA-O 3.27Å; M229-V269 HydrophobicContact CB-CG2 4.03Å; M229-V269 HydrophobicContact CG-CG2 3.92Å; L246-V269 HydrophobicContact CD1-CG1 4.28Å; L246-V269 HydrophobicContact CD2-CG1 4.04Å; I248-V269 HydrophobicContact CD1-CB 4.19Å; I248-V269 HydrophobicContact CD1-CG1 4.23Å; I248-V269 HydrophobicContact CD1-CG2 3.76Å; W255-V269 HydrophobicContact CE3-CB 4.04Å; W255-V269 HydrophobicContact CE3-CG2 3.93Å; W255-V269 HydrophobicContact CZ3-CG2 4.14Å; F256-V269 CarbonylContact O-C 3.49Å; F256-V269 VanDerWaalsContact O-CA 3.22Å; F256-V269 WeakPolarHBondContact O-CA 2.98Å; L267-V269 HydrophobicContact CD2-CG1 4.33Å; L267-V269 HydrophobicContact CG-CG1 4.35Å
270E96.6Very high95.2Very high28 Ų2851 Ų5113%0.13125%0.246CC..EExtended strand (participates in β ladder)trans-139.6159.9174.8-69.2-65169.700111.7L224 W255 F256 V258 H275L224-E270 WeakPolarHBondContact CB-OE1 3.46Å; L224-E270 HydrophobicContact CD1-CG 4.06Å; L224-E270 HydrophobicContact CG-CG 4.13Å; L224-E270 WeakPolarHBondContact CG-OE1 3.33Å; L224-E270 PolarHBondContact N-OE1 2.99Å; W255-E270 CarbonylContact C-O 3.48Å; W255-E270 WeakPolarHBondContact CA-O 3.16Å; F256-E270 PolarHBondContact N-O 2.92Å; F256-E270 PolarHBondContact O-N 2.56Å; V258-E270 HydrophobicContact CG1-CB 3.71Å; V258-E270 HydrophobicContact CG1-CG 4.02Å; V258-E270 HydrophobicContact CG2-CB 4.44Å; V258-E270 HydrophobicContact CG2-CG 3.88Å; E270-H275 HydrophobicContact CB-CB 4.43Å; E270-H275 IonicContact OE2-NE2 3.98Å
271Q95.9Very high95.3Very high67 Ų6752.8 Ų52.831%0.31326%0.255SS..EExtended strand (participates in β ladder)trans-84.5148174.6-67.9-172.8-64.900111.9D251 D253 P254 W255 H275D251-Q271 PolarHBondContact O-NE2 3.41Å; D251-Q271 VanDerWaalsContact O-NE2 3.14Å; D253-Q271 HydrophobicContact CB-CB 4.24Å; D253-Q271 PolarHBondContact O-NE2 2.84Å; P254-Q271 WeakPolarHBondContact O-CA 3.32Å; W255-Q271 HydrophobicContact CD2-CG 3.56Å; W255-Q271 HydrophobicContact CE3-CG 3.9Å; W255-Q271 HydrophobicContact CG-CG 4.13Å; W255-Q271 HydrophobicContact CH2-CG 3.78Å; W255-Q271 HydrophobicContact CZ2-CG 3.42Å; W255-Q271 VanDerWaalsContact CZ2-CG 3.42Å; W255-Q271 HydrophobicContact CZ3-CG 4Å; Q271-H275 PolarHBondContact O-CD2 3.37Å; Q271-H275 VanDerWaalsContact O-CD2 3.31Å
272G95.3Very high95.6Very high9 Ų952.5 Ų52.59%0.09325%0.252CS..SBendtrans98130.4171.600000113.1P254 F256 H274 H275P254-G272 PolarHBondContact O-N 2.9Å; F256-G272 WeakPolarHBondContact CD2-O 3.28Å; F256-G272 VanDerWaalsContact CE2-C 3.49Å; G272-H274 PolarHBondContact O-N 2.72Å; G272-H275 PolarHBondContact O-N 2.85Å
273F94.7Very high95.9Very high112 Ų11248.9 Ų48.949%0.49123%0.233SC..THydrogen-bonded Turntrans-61.8-35.8-178.1-177.7-94.2000111.9F256 R336F256-F273 AromaticContact CE1-CD2 3.72Å; F256-F273 HydrophobicContact CE1-CD2 3.72Å; F256-F273 HydrophobicContact CE1-CE2 4.45Å; F256-F273 VanDerWaalsContact CE2-CA 3.48Å; F256-F273 HydrophobicContact CE2-CB 4.09Å; F256-F273 HydrophobicContact CZ-CB 3.86Å; F256-F273 AromaticContact CZ-CD2 3.68Å; F256-F273 HydrophobicContact CZ-CD2 3.68Å; F256-F273 HydrophobicContact CZ-CG 4.25Å; F273-R336 PolarHBondContact O-NE 2.72Å; F273-R336 PolarHBondContact O-NH2 2.76Å
274H95.7Very high96.2Very high129 Ų12940.8 Ų40.860%0.59720%0.199SC*.THydrogen-bonded Turntrans-100.228.1-179.2-64.9-67.2000113.3G272 D276 Y279G272-H274 PolarHBondContact O-N 2.72Å; H274-D276 PolarHBondContact O-N 3.26Å; H274-Y279 HydrophobicContact CB-CE2 4.24Å; H274-Y279 AromaticContact ND1-CZ 3.89Å; H274-Y279 PolarHBondContact ND1-OH 2.92Å
275H95.6Very high96.5Very high54 Ų5435.9 Ų35.925%0.2517%0.173CC..  trans-55.6134.8178.5-168.1-83000111.5E270 Q271 G272 A277 L278E270-H275 HydrophobicContact CB-CB 4.43Å; E270-H275 IonicContact OE2-NE2 3.98Å; Q271-H275 PolarHBondContact O-CD2 3.37Å; Q271-H275 VanDerWaalsContact O-CD2 3.31Å; G272-H275 PolarHBondContact O-N 2.85Å; H275-A277 VanDerWaalsContact C-N 3.26Å; H275-A277 WeakPolarHBondContact ND1-CB 3.4Å; H275-A277 PolarHBondContact ND1-N 3.34Å; H275-A277 PolarHBondContact O-N 3.17Å; H275-L278 HydrophobicContact CB-CD1 4.29Å; H275-L278 WeakPolarHBondContact O-CB 3.42Å; H275-L278 PolarHBondContact O-N 3.45Å
276D94.9Very high96.6Very high109 Ų10935.3 Ų35.358%0.58317%0.171SC*.G310 helixtrans-56.9-37-171.3-176.765.6000113.3H274 L278 Y279 K363H274-D276 PolarHBondContact O-N 3.26Å; D276-L278 PolarHBondContact O-N 2.92Å; D276-L278 VanDerWaalsContact O-N 3.15Å; D276-Y279 PolarHBondContact O-N 3.4Å; D276-K363 PolarHBondContact O-NZ 3.05Å; D276-K363 IonicContact OD1-NZ 2.67Å; D276-K363 PolarHBondContact OD1-NZ 3Å; D276-K363 IonicContact OD2-NZ 2.68Å; D276-K363 PolarHBondContact OD2-NZ 3.44Å
277A94.7Very high96.6Very high8 Ų839.4 Ų39.47%0.06619%0.193CC..G310 helixtrans-63.9-15.6177.600000115L224 V258 H275 Y279 Y370L224-A277 HydrophobicContact CD1-CB 3.42Å; L224-A277 VanDerWaalsContact CD1-CB 3.42Å; V258-A277 HydrophobicContact CB-CB 4.22Å; V258-A277 HydrophobicContact CG2-CB 4.48Å; H275-A277 VanDerWaalsContact C-N 3.26Å; H275-A277 WeakPolarHBondContact ND1-CB 3.4Å; H275-A277 PolarHBondContact ND1-N 3.34Å; H275-A277 PolarHBondContact O-N 3.17Å; A277-Y279 VanDerWaalsContact C-N 3.33Å; A277-Y370 WeakPolarHBondContact CA-OH 3.12Å; A277-Y370 HydrophobicContact CB-CE2 4.46Å; A277-Y370 PolarHBondContact O-OH 2.88Å
278L96.3Very high96.6Very high5 Ų542.6 Ų42.63%0.02621%0.205CC..G310 helixtrans-83.4-12.1174.1-70.1167000112.5I240 F256 V257 V258 H275 D276 R336 A337I240-L278 HydrophobicContact CG2-CD2 4.11Å; F256-L278 HydrophobicContact CB-CD1 4.28Å; V257-L278 WeakPolarHBondContact O-CD2 3.09Å; V258-L278 HydrophobicContact CB-CD2 4.19Å; V258-L278 HydrophobicContact CB-CG 4.42Å; V258-L278 HydrophobicContact CG1-CD1 4.31Å; V258-L278 HydrophobicContact CG1-CD2 3.9Å; V258-L278 HydrophobicContact CG1-CG 3.79Å; H275-L278 HydrophobicContact CB-CD1 4.29Å; H275-L278 WeakPolarHBondContact O-CB 3.42Å; H275-L278 PolarHBondContact O-N 3.45Å; D276-L278 PolarHBondContact O-N 2.92Å; D276-L278 VanDerWaalsContact O-N 3.15Å; L278-R336 HydrophobicContact CB-CG 3.91Å; L278-R336 CarbonylContact O-C 3.5Å; L278-R336 VanDerWaalsContact O-CA 3.29Å; L278-R336 WeakPolarHBondContact O-CA 3.46Å; L278-A337 HydrophobicContact CD2-CB 4.39Å; L278-A337 PolarHBondContact O-N 3.31Å
279Y96.9Very high96.5Very high51 Ų5141.5 Ų41.520%0.221%0.205CC..EExtended strand (participates in β ladder)trans-96.5142.1-176.9-76.2-90.8000111.7H274 D276 A277 P334 V335 R336 K363H274-Y279 HydrophobicContact CB-CE2 4.24Å; H274-Y279 AromaticContact ND1-CZ 3.89Å; H274-Y279 PolarHBondContact ND1-OH 2.92Å; D276-Y279 PolarHBondContact O-N 3.4Å; A277-Y279 VanDerWaalsContact C-N 3.33Å; Y279-P334 HydrophobicContact CD1-CB 3.88Å; Y279-P334 WeakPolarHBondContact CD1-O 3.47Å; Y279-P334 HydrophobicContact CG-CB 4.46Å; Y279-V335 WeakPolarHBondContact CA-O 3.46Å; Y279-R336 HydrophobicContact CD1-CB 4.3Å; Y279-R336 HydrophobicContact CE1-CB 3.91Å; Y279-R336 HydrophobicContact CE2-CB 4.39Å; Y279-R336 HydrophobicContact CE2-CG 4.35Å; Y279-K363 WeakPolarHBondContact O-CD 3.18Å
280S97.2Very high96.5Very high1 Ų142.2 Ų42.21%0.00721%0.208CC..EExtended strand (participates in β ladder)trans-137.1155.5179.350.90000110.3F331 P334 V335 I338 V361 F362S280-F331 WeakPolarHBondContact O-CD2 3.41Å; S280-F331 WeakPolarHBondContact O-CE2 3.18Å; S280-P334 CarbonylContact O-C 3.51Å; S280-P334 VanDerWaalsContact O-CA 3.23Å; S280-P334 WeakPolarHBondContact O-CA 3.07Å; S280-V335 PolarHBondContact N-O 3.01Å; S280-V335 PolarHBondContact O-N 3Å; S280-V335 PolarHBondContact OG-O 2.94Å; S280-I338 WeakPolarHBondContact OG-CG1 3.39Å; S280-V361 WeakPolarHBondContact OG-CG1 3.29Å; S280-F362 WeakPolarHBondContact CA-O 3.33Å; S280-F362 WeakPolarHBondContact CB-O 3.35Å
281D97.3Very high96.5Very high39 Ų3941 Ų4121%0.20920%0.202CC..EExtended strand (participates in β ladder)trans-103.6-28.6-174.2-54.5-38.7000112.3F331 F362 K363 N364D281-F331 WeakPolarHBondContact O-CD2 3.01Å; D281-F331 WeakPolarHBondContact O-CG 3.46Å; D281-F331 PolarHBondContact O-N 3.28Å; D281-F362 PolarHBondContact N-O 2.7Å; D281-K363 VanDerWaalsContact OD2-CA 3.29Å; D281-K363 WeakPolarHBondContact OD2-CA 3.46Å; D281-K363 WeakPolarHBondContact OD2-CG 3.06Å; D281-N364 PolarHBondContact OD2-N 2.67Å
282Y97.9Very high96.4Very high24 Ų2438.5 Ų38.59%0.09419%0.191CC..EExtended strand (participates in β ladder)trans-155165.8174.169.1-84.8000111.5R328 V329 F362Y282-R328 HydrophobicContact CD2-CG 4.08Å; Y282-R328 VanDerWaalsContact CE1-NH2 3.34Å; Y282-V329 VanDerWaalsContact CA-O 3.23Å; Y282-V329 WeakPolarHBondContact CA-O 3.46Å; Y282-V329 VanDerWaalsContact CB-O 3.29Å; Y282-V329 WeakPolarHBondContact CB-O 3.4Å; Y282-F362 HydrophobicContact CD1-CB 3.72Å; Y282-F362 HydrophobicContact CD2-CB 3.86Å; Y282-F362 AromaticContact CD2-CD2 3.84Å; Y282-F362 HydrophobicContact CD2-CD2 3.84Å; Y282-F362 AromaticContact CD2-CG 3.99Å; Y282-F362 HydrophobicContact CD2-CG 3.99Å; Y282-F362 HydrophobicContact CE1-CB 3.28Å; Y282-F362 HydrophobicContact CE1-CD1 4.47Å; Y282-F362 AromaticContact CE1-CG 4Å; Y282-F362 HydrophobicContact CE1-CG 4Å; Y282-F362 HydrophobicContact CE2-CB 3.43Å; Y282-F362 VanDerWaalsContact CE2-CB 3.43Å; Y282-F362 AromaticContact CE2-CD1 3.81Å; Y282-F362 HydrophobicContact CE2-CD1 3.81Å; Y282-F362 AromaticContact CE2-CD2 3.37Å; Y282-F362 HydrophobicContact CE2-CD2 3.37Å; Y282-F362 HydrophobicContact CE2-CE1 4.41Å; Y282-F362 HydrophobicContact CE2-CE2 4.06Å; Y282-F362 AromaticContact CE2-CG 3.26Å; Y282-F362 HydrophobicContact CE2-CG 3.26Å; Y282-F362 HydrophobicContact CG-CB 3.99Å; Y282-F362 AromaticContact CZ-CD1 3.55Å; Y282-F362 AromaticContact CZ-CD2 3.92Å; Y282-F362 AromaticContact CZ-CG 3.26Å; Y282-F362 PolarHBondContact N-O 3.38Å; Y282-F362 PolarHBondContact O-N 3.17Å; Y282-F362 WeakPolarHBondContact OH-CB 3.34Å; Y282-F362 WeakPolarHBondContact OH-CD1 3.2Å; Y282-F362 WeakPolarHBondContact OH-CG 3.48Å
283L98.2Very high96.2Very high0 Ų042 Ų420%021%0.213CC..EExtended strand (participates in β ladder)trans-130.3160.8171.964.479.9000111.2A285 F308 V329 F331 I338 V344 I358 D360L283-A285 HydrophobicContact CD1-CB 3.74Å; L283-F308 HydrophobicContact CD2-CD1 3.74Å; L283-F308 HydrophobicContact CD2-CE1 3.77Å; L283-V329 HydrophobicContact CD1-CB 3.72Å; L283-V329 HydrophobicContact CD1-CG2 3.74Å; L283-V329 HydrophobicContact CG-CB 3.95Å; L283-V329 PolarHBondContact N-O 2.93Å; L283-V329 PolarHBondContact O-N 3.07Å; L283-F331 HydrophobicContact CB-CZ 4Å; L283-F331 HydrophobicContact CD2-CE1 3.87Å; L283-F331 HydrophobicContact CD2-CZ 3.75Å; L283-F331 HydrophobicContact CG-CE1 3.9Å; L283-F331 HydrophobicContact CG-CZ 3.82Å; L283-I338 HydrophobicContact CB-CG2 4.17Å; L283-I338 HydrophobicContact CD2-CD1 4.41Å; L283-I338 HydrophobicContact CD2-CG2 3.71Å; L283-V344 HydrophobicContact CD1-CG1 4.4Å; L283-I358 HydrophobicContact CB-CG2 4.34Å; L283-I358 HydrophobicContact CD1-CG1 4.45Å; L283-I358 HydrophobicContact CD2-CD1 3.96Å; L283-I358 HydrophobicContact CD2-CG1 3.88Å; L283-I358 HydrophobicContact CD2-CG2 4.14Å; L283-D360 CarbonylContact C-O 3.53Å; L283-D360 VanDerWaalsContact CA-O 3.25Å; L283-D360 WeakPolarHBondContact CA-O 3.43Å; L283-D360 WeakPolarHBondContact CB-O 3.28Å
284I98.1Very high96Very high19 Ų1945.7 Ų45.710%0.09723%0.231CC..EExtended strand (participates in β ladder)trans-108.5135.3164.3-58.5-59000108.1E322 A326 L327 R328 D359 D360 F362I284-E322 HydrophobicContact CD1-CB 4.27Å; I284-E322 HydrophobicContact CD1-CG 3.92Å; I284-A326 HydrophobicContact CG2-CB 3.83Å; I284-L327 CarbonylContact C-O 3.44Å; I284-L327 WeakPolarHBondContact CA-O 3.25Å; I284-R328 HydrophobicContact CD1-CB 3.77Å; I284-R328 HydrophobicContact CD1-CG 3.95Å; I284-D359 PolarHBondContact O-N 2.9Å; I284-D360 HydrophobicContact CB-CB 4.38Å; I284-D360 PolarHBondContact N-O 2.75Å; I284-D360 PolarHBondContact O-N 3.31Å; I284-F362 HydrophobicContact CB-CE2 4.25Å; I284-F362 HydrophobicContact CG1-CD2 4.27Å; I284-F362 HydrophobicContact CG1-CE2 3.52Å; I284-F362 HydrophobicContact CG1-CZ 4.12Å
285A98.4Very high95.7Very high0 Ų044.4 Ų44.40%023%0.229CC..EExtended strand (participates in β ladder)trans-134.7139.4-179.500000111.8L283 A326 L327 V344 A356 T357L283-A285 HydrophobicContact CD1-CB 3.74Å; A285-A326 CarbonylContact O-C 3.57Å; A285-A326 WeakPolarHBondContact O-CA 3.38Å; A285-L327 PolarHBondContact N-O 3.47Å; A285-L327 PolarHBondContact O-N 2.92Å; A285-V344 HydrophobicContact CB-CG1 3.87Å; A285-A356 HydrophobicContact CB-CB 3.68Å; A285-T357 CarbonylContact C-O 3.48Å; A285-T357 WeakPolarHBondContact CA-O 3.2Å; A285-T357 WeakPolarHBondContact CB-O 3.18Å
286S97.6Very high95.5Very high23 Ų2342.6 Ų42.616%0.16122%0.221CC..EExtended strand (participates in β ladder)trans-114.4-174.617664.10000111.3Y288 A356 T357 D359S286-Y288 PolarHBondContact O-N 2.86Å; S286-Y288 VanDerWaalsContact O-N 3.11Å; S286-A356 WeakPolarHBondContact O-CB 3.32Å; S286-T357 PolarHBondContact N-O 2.88Å; S286-T357 PolarHBondContact O-N 3.34Å; S286-D359 WeakPolarHBondContact CB-OD2 3.37Å; S286-D359 PolarHBondContact N-OD2 2.84Å; S286-D359 VanDerWaalsContact OG-CG 3.3Å; S286-D359 PolarHBondContact OG-OD1 2.92Å; S286-D359 PolarHBondContact OG-OD2 3.14Å
287D95.8Very high95.4Very high100 Ų10041.6 Ų41.654%0.53522%0.215SC..EExtended strand (participates in β ladder)trans5237-179.2-61.6-34.6000113Q157Q157-D287 PolarHBondContact NE2-O 2.91Å; Q157-D287 VanDerWaalsContact NE2-O 3.13Å; Q157-D287 PolarHBondContact OE1-O 2.86Å
288Y96.4Very high95.4Very high67 Ų6741.9 Ų41.926%0.26322%0.216SC..EExtended strand (participates in β ladder)trans-73.7144.2-17766.5-96.6000111.4S286 F290 L298 R321 L327 G355S286-Y288 PolarHBondContact O-N 2.86Å; S286-Y288 VanDerWaalsContact O-N 3.11Å; Y288-F290 HydrophobicContact CD2-CD2 4.01Å; Y288-F290 AromaticContact CD2-CE2 3.87Å; Y288-F290 HydrophobicContact CD2-CE2 3.87Å; Y288-L298 HydrophobicContact CE2-CD1 3.99Å; Y288-R321 PolarHBondContact OH-NH1 2.72Å; Y288-L327 HydrophobicContact CD1-CD1 4.02Å; Y288-L327 HydrophobicContact CD1-CD2 3.99Å; Y288-L327 HydrophobicContact CD1-CG 3.61Å; Y288-L327 HydrophobicContact CD2-CD1 4.23Å; Y288-L327 HydrophobicContact CE1-CD2 4Å; Y288-L327 HydrophobicContact CE1-CG 4.14Å; Y288-L327 HydrophobicContact CG-CD1 3.7Å; Y288-L327 HydrophobicContact CG-CD2 4.3Å; Y288-L327 HydrophobicContact CG-CG 3.86Å; Y288-G355 CarbonylContact C-O 3.51Å; Y288-G355 VanDerWaalsContact CA-O 3.25Å; Y288-G355 WeakPolarHBondContact CA-O 3.47Å
289S96.2Very high95.3Very high26 Ų2646.5 Ų46.518%0.18224%0.24CC..EExtended strand (participates in β ladder)trans-137.4132.7174.2-175.40000108.3G354 G355S289-G354 CarbonylContact O-C 3.58Å; S289-G354 WeakPolarHBondContact O-CA 3.47Å; S289-G355 PolarHBondContact N-O 2.87Å; S289-G355 PolarHBondContact O-N 3.02Å
290F96.6Very high95.3Very high15 Ų1550.5 Ų50.57%0.06626%0.261CS..EExtended strand (participates in β ladder)trans-113.6139.6170.8-72.2-84.8000108.4Y288 N292 P293 N296 L298 F302 L327 F346 L353Y288-F290 HydrophobicContact CD2-CD2 4.01Å; Y288-F290 AromaticContact CD2-CE2 3.87Å; Y288-F290 HydrophobicContact CD2-CE2 3.87Å; F290-N292 VanDerWaalsContact C-N 3.25Å; F290-N292 PolarHBondContact O-N 3.1Å; F290-P293 HydrophobicContact CB-CB 4.28Å; F290-N296 HydrophobicContact CD1-CB 4.45Å; F290-L298 HydrophobicContact CE2-CD1 4.08Å; F290-L298 HydrophobicContact CE2-CD2 3.83Å; F290-L298 HydrophobicContact CE2-CG 4.47Å; F290-L298 HydrophobicContact CZ-CD2 3.97Å; F290-F302 AromaticContact CE1-CZ 3.87Å; F290-F302 HydrophobicContact CE1-CZ 3.87Å; F290-F302 HydrophobicContact CZ-CE1 4.43Å; F290-F302 HydrophobicContact CZ-CZ 4.04Å; F290-L327 HydrophobicContact CE2-CD1 3.96Å; F290-L327 HydrophobicContact CZ-CD1 4.08Å; F290-F346 AromaticContact CE1-CD2 3.81Å; F290-F346 HydrophobicContact CE1-CD2 3.81Å; F290-F346 HydrophobicContact CE1-CE2 4.42Å; F290-F346 AromaticContact CZ-CD2 3.92Å; F290-F346 HydrophobicContact CZ-CD2 3.92Å; F290-F346 HydrophobicContact CZ-CE2 4.07Å; F290-L353 CarbonylContact C-O 2.99Å; F290-L353 VanDerWaalsContact CA-O 3.26Å; F290-L353 WeakPolarHBondContact CA-O 3.21Å; F290-L353 HydrophobicContact CD1-CB 4.1Å; F290-L353 WeakPolarHBondContact CD1-O 3.34Å; F290-L353 HydrophobicContact CE1-CB 4.3Å
291V96.2Very high95.3Very high2 Ų251.1 Ų51.11%0.01227%0.267CS..SBendtrans-57.1-49.4173.8176.90000108.4M141 Q160 L163 L353M141-V291 HydrophobicContact CB-CG2 4.28Å; M141-V291 HydrophobicContact CE-CG2 4.46Å; Q160-V291 WeakPolarHBondContact CB-O 3.4Å; Q160-V291 PolarHBondContact N-O 3.46Å; L163-V291 HydrophobicContact CD1-CB 4.26Å; L163-V291 HydrophobicContact CD1-CG1 3.48Å; L163-V291 VanDerWaalsContact CD1-CG1 3.48Å; L163-V291 HydrophobicContact CD1-CG2 3.76Å; V291-L353 PolarHBondContact N-O 3.5Å
292N94Very high95.3Very high16 Ų1650.7 Ų50.79%0.08626%0.264CS..SBendtrans-126.287.3-179.5-57.7-49000109.6H138 V139 F290 E294 D295 N296H138-N292 VanDerWaalsContact CE1-CB 3.44Å; H138-N292 WeakPolarHBondContact CE1-CB 3.4Å; H138-N292 PolarHBondContact CE1-ND2 2.85Å; H138-N292 PolarHBondContact CE1-OD1 3.24Å; H138-N292 PolarHBondContact ND1-OD1 2.81Å; H138-N292 PolarHBondContact NE2-ND2 3.05Å; V139-N292 PolarHBondContact O-ND2 3.19Å; V139-N292 PolarHBondContact O-OD1 3.38Å; F290-N292 VanDerWaalsContact C-N 3.25Å; F290-N292 PolarHBondContact O-N 3.1Å; N292-E294 PolarHBondContact O-N 2.94Å; N292-D295 HydrophobicContact CB-CB 4.43Å; N292-D295 WeakPolarHBondContact CB-OD2 3.32Å; N292-D295 PolarHBondContact O-N 2.77Å; N292-N296 PolarHBondContact O-ND2 3.32Å
293P91.2Very high95.4Very high83 Ų8357.1 Ų57.154%0.53930%0.295SS..G310 helixtrans-64.9-27.4-174.124.7-33.8000113.2F290 D295 N296F290-P293 HydrophobicContact CB-CB 4.28Å; P293-D295 VanDerWaalsContact C-N 3.25Å; P293-D295 PolarHBondContact O-N 2.9Å; P293-N296 PolarHBondContact O-N 2.91Å
294E90.4Very high95.4Very high188 Ų18857.4 Ų57.488%0.87930%0.297SS*.G310 helixtrans-68.5-23.4-179.5-61.2179.9-16900113N292 N296N292-E294 PolarHBondContact O-N 2.94Å; E294-N296 PolarHBondContact O-N 2.81Å
295D90Very high95.4Very high102 Ų10258.1 Ų58.155%0.54530%0.302SS..G310 helixtrans-79.2-8.5179.8-59.5-24.3000112.9H138 N292 P293H138-D295 IonicContact CE1-OD2 3.6Å; H138-D295 PolarHBondContact CE1-OD2 3.09Å; H138-D295 IonicContact NE2-OD2 3.61Å; N292-D295 HydrophobicContact CB-CB 4.43Å; N292-D295 WeakPolarHBondContact CB-OD2 3.32Å; N292-D295 PolarHBondContact O-N 2.77Å; P293-D295 VanDerWaalsContact C-N 3.25Å; P293-D295 PolarHBondContact O-N 2.9Å
296N90.6Very high95.4Very high16 Ų1658.1 Ų58.19%0.08630%0.302CS..  trans-12398.6-170.2-61.4-77.6000110.3F290 N292 P293 E294 L298 F302F290-N296 HydrophobicContact CD1-CB 4.45Å; N292-N296 PolarHBondContact O-ND2 3.32Å; P293-N296 PolarHBondContact O-N 2.91Å; E294-N296 PolarHBondContact O-N 2.81Å; N296-L298 PolarHBondContact O-N 3.39Å; N296-F302 HydrophobicContact CB-CD1 4.25Å; N296-F302 HydrophobicContact CB-CE1 3.75Å; N296-F302 HydrophobicContact CB-CZ 4.1Å
297D93.7Very high95.4Very high88 Ų8857.8 Ų57.847%0.47130%0.298SS..  trans-71.193.4174.4-174-17.5000110.3D299 Q300 G301D297-D299 VanDerWaalsContact C-N 3.29Å; D297-D299 PolarHBondContact O-N 3.29Å; D297-D299 PolarHBondContact OD1-N 2.86Å; D297-Q300 PolarHBondContact OD1-N 2.95Å; D297-Q300 VanDerWaalsContact OD2-CG 3.27Å; D297-Q300 WeakPolarHBondContact OD2-CG 3.44Å; D297-G301 CarbonylContact O-C 3.59Å; D297-G301 WeakPolarHBondContact O-CA 3.42Å; D297-G301 PolarHBondContact O-N 2.78Å
298L95.3Very high95.5Very high15 Ų1553.1 Ų53.18%0.07927%0.273CS..THydrogen-bonded Turntrans-72.4-21179.4-65.5171.9000113Y288 F290 N296 F302 V319 R321 L327Y288-L298 HydrophobicContact CE2-CD1 3.99Å; F290-L298 HydrophobicContact CE2-CD1 4.08Å; F290-L298 HydrophobicContact CE2-CD2 3.83Å; F290-L298 HydrophobicContact CE2-CG 4.47Å; F290-L298 HydrophobicContact CZ-CD2 3.97Å; N296-L298 PolarHBondContact O-N 3.39Å; L298-F302 HydrophobicContact CD2-CE1 3.74Å; L298-V319 HydrophobicContact CD2-CG1 4.41Å; L298-R321 HydrophobicContact CB-CB 4.12Å; L298-R321 VanDerWaalsContact O-CB 3.32Å; L298-R321 WeakPolarHBondContact O-CB 3.32Å; L298-R321 PolarHBondContact O-N 2.69Å; L298-L327 HydrophobicContact CD1-CD2 4.19Å; L298-L327 HydrophobicContact CD2-CD1 4.47Å; L298-L327 HydrophobicContact CD2-CD2 3.81Å
299D94.6Very high95.5Very high101 Ų10153.3 Ų53.354%0.5427%0.273SS..THydrogen-bonded Turntrans-83-38.8-174.9-65.6-16.9000111.3D297 K320 R321D297-D299 VanDerWaalsContact C-N 3.29Å; D297-D299 PolarHBondContact O-N 3.29Å; D297-D299 PolarHBondContact OD1-N 2.86Å; D299-K320 WeakPolarHBondContact O-CE 3.17Å; D299-R321 IonicContact OD1-CZ 3.48Å; D299-R321 IonicContact OD1-NE 2.6Å; D299-R321 PolarHBondContact OD1-NE 3.38Å
300Q96Very high95.3Very high135 Ų13555.2 Ų55.263%0.63128%0.277SS*.THydrogen-bonded Turntrans-79.2-33166.6-63.1-56.1-36.200111.6D297D297-Q300 PolarHBondContact OD1-N 2.95Å; D297-Q300 VanDerWaalsContact OD2-CG 3.27Å; D297-Q300 WeakPolarHBondContact OD2-CG 3.44Å
301G97.4Very high94.9Very high14 Ų1462.2 Ų62.214%0.14430%0.303CS..  trans84163.9-171.700000112.2D297 V319D297-G301 CarbonylContact O-C 3.59Å; D297-G301 WeakPolarHBondContact O-CA 3.42Å; D297-G301 PolarHBondContact O-N 2.78Å; G301-V319 CarbonylContact C-O 3.58Å; G301-V319 WeakPolarHBondContact CA-O 3.44Å
302F97.8Very high94.6Very high31 Ų3164.8 Ų64.814%0.13631%0.314CS..EExtended strand (participates in β ladder)trans-145.1154.8-176.963-85.7000112.1F290 N296 L298 C304 F318 V319 L353F290-F302 AromaticContact CE1-CZ 3.87Å; F290-F302 HydrophobicContact CE1-CZ 3.87Å; F290-F302 HydrophobicContact CZ-CE1 4.43Å; F290-F302 HydrophobicContact CZ-CZ 4.04Å; N296-F302 HydrophobicContact CB-CD1 4.25Å; N296-F302 HydrophobicContact CB-CE1 3.75Å; N296-F302 HydrophobicContact CB-CZ 4.1Å; L298-F302 HydrophobicContact CD2-CE1 3.74Å; F302-C304 HydrophobicContact CD2-CB 4.09Å; F302-C304 HydrophobicContact CE2-CB 3.98Å; F302-F318 WeakPolarHBondContact O-CA 3.3Å; F302-V319 HydrophobicContact CD1-CB 4.49Å; F302-V319 HydrophobicContact CE1-CB 4.01Å; F302-V319 HydrophobicContact CE1-CG1 4.17Å; F302-V319 HydrophobicContact CE2-CB 4.3Å; F302-V319 HydrophobicContact CE2-CG2 4.4Å; F302-V319 HydrophobicContact CZ-CB 3.9Å; F302-V319 HydrophobicContact CZ-CG1 4.15Å; F302-V319 HydrophobicContact CZ-CG2 4.32Å; F302-V319 PolarHBondContact N-O 3.34Å; F302-V319 PolarHBondContact O-N 3Å; F302-L353 HydrophobicContact CE2-CD1 3.85Å
303E98.1Very high94.5Very high158 Ų15872.7 Ų72.774%0.73835%0.348SS*.EExtended strand (participates in β ladder)trans-89.4134.1172.8-68.1-174.4175.400110.4V317 F318E303-V317 WeakPolarHBondContact CA-O 3.33Å; E303-F318 HydrophobicContact CG-CD2 3.89Å
304C98.3Very high94.6Very high7 Ų771.3 Ų71.35%0.04734%0.336CS..EExtended strand (participates in β ladder)trans-152.2-163.3171.666.80000109.8F302 V317 Y347 L353F302-C304 HydrophobicContact CD2-CB 4.09Å; F302-C304 HydrophobicContact CE2-CB 3.98Å; C304-V317 PolarHBondContact N-O 2.99Å; C304-V317 PolarHBondContact O-N 3.47Å; C304-Y347 WeakPolarHBondContact CB-O 3.38Å; C304-L353 HydrophobicContact CB-CD1 4.08Å
305T98.6Very high95Very high34 Ų3463.8 Ų63.821%0.20930%0.303CS..EExtended strand (participates in β ladder)trans-116.9155.7167.765.20000111.3D314 T315 K316 F346 Y347T305-D314 HydrophobicContact CG2-CB 4.49Å; T305-T315 CarbonylContact C-O 3.53Å; T305-T315 WeakPolarHBondContact CA-O 3.31Å; T305-K316 HydrophobicContact CG2-CG 4.37Å; T305-F346 CarbonylContact O-C 3.44Å; T305-F346 WeakPolarHBondContact O-CA 3.48Å; T305-Y347 PolarHBondContact N-O 3.42Å; T305-Y347 PolarHBondContact O-N 2.87Å; T305-Y347 PolarHBondContact OG1-O 2.44Å; T305-Y347 VanDerWaalsContact OG1-O 3.1Å
306A98.5Very high95.4Very high0 Ų066.3 Ų66.30%031%0.309CS..EExtended strand (participates in β ladder)trans-136.8149.3178.900000113.8F308 D314 T315 V317 V344 V345 F346A306-F308 HydrophobicContact CB-CE1 4.18Å; A306-F308 HydrophobicContact CB-CZ 4.11Å; A306-D314 WeakPolarHBondContact O-CA 2.85Å; A306-T315 PolarHBondContact N-O 2.72Å; A306-T315 PolarHBondContact O-N 3.29Å; A306-V317 HydrophobicContact CB-CG1 3.96Å; A306-V317 HydrophobicContact CB-CG2 3.8Å; A306-V344 HydrophobicContact CB-CG2 3.97Å; A306-V345 CarbonylContact C-O 3.52Å; A306-V345 WeakPolarHBondContact CA-O 3.29Å; A306-F346 HydrophobicContact CB-CD1 4.09Å
307K98.1Very high95.8Very high15 Ų1565.9 Ų65.97%0.06531%0.307CS..EExtended strand (participates in β ladder)trans-106.1136.1163.8-68.5-176.5178.1172.60109.3R143 D150 Y153 Q312 D314 V344 V345 Y347R143-K307 VanDerWaalsContact NH1-NZ 3.11Å; D150-K307 IonicContact OD2-NZ 2.72Å; D150-K307 PolarHBondContact OD2-NZ 3.22Å; Y153-K307 HydrophobicContact CD2-CB 3.96Å; Y153-K307 HydrophobicContact CE2-CB 4.18Å; K307-Q312 WeakPolarHBondContact CE-O 3.4Å; K307-D314 WeakPolarHBondContact CE-OD1 3.22Å; K307-D314 WeakPolarHBondContact CG-OD1 3.33Å; K307-V344 WeakPolarHBondContact O-CA 3.21Å; K307-V345 PolarHBondContact N-O 3.45Å; K307-V345 PolarHBondContact O-N 2.94Å; K307-Y347 HydrophobicContact CB-CE2 4.34Å; K307-Y347 HydrophobicContact CD-CE2 4.06Å; K307-Y347 HydrophobicContact CG-CE2 4.03Å
308F97.6Very high96Very high3 Ų365.4 Ų65.41%0.01330%0.301CS..SBendtrans-105.5-11.8177-47.3-78.4000112.7Y153 L283 A306 T315 V317 F331 V335 I338 A343 V344 I358Y153-F308 PolarHBondContact OH-O 3.37Å; L283-F308 HydrophobicContact CD2-CD1 3.74Å; L283-F308 HydrophobicContact CD2-CE1 3.77Å; A306-F308 HydrophobicContact CB-CE1 4.18Å; A306-F308 HydrophobicContact CB-CZ 4.11Å; F308-T315 HydrophobicContact CE2-CG2 4.47Å; F308-V317 HydrophobicContact CZ-CG1 3.95Å; F308-F331 HydrophobicContact CE1-CD1 4.1Å; F308-F331 AromaticContact CE1-CE1 3.53Å; F308-F331 HydrophobicContact CE1-CE1 3.53Å; F308-F331 HydrophobicContact CE1-CZ 4.23Å; F308-F331 AromaticContact CZ-CD1 3.66Å; F308-F331 HydrophobicContact CZ-CD1 3.66Å; F308-F331 AromaticContact CZ-CE1 3.56Å; F308-F331 HydrophobicContact CZ-CE1 3.56Å; F308-F331 HydrophobicContact CZ-CZ 4.35Å; F308-V335 HydrophobicContact CD2-CG1 3.76Å; F308-V335 HydrophobicContact CE2-CB 4.32Å; F308-V335 HydrophobicContact CE2-CG1 3.81Å; F308-V335 HydrophobicContact CE2-CG2 3.85Å; F308-V335 HydrophobicContact CZ-CG2 4.33Å; F308-I338 HydrophobicContact CB-CD1 3.66Å; F308-I338 HydrophobicContact CD1-CD1 3.58Å; F308-I338 HydrophobicContact CD2-CD1 3.67Å; F308-I338 HydrophobicContact CE1-CD1 4.1Å; F308-I338 HydrophobicContact CE2-CD1 4.18Å; F308-I338 HydrophobicContact CG-CD1 3.32Å; F308-I338 HydrophobicContact CZ-CD1 4.37Å; F308-A343 CarbonylContact C-O 3.59Å; F308-V344 HydrophobicContact CD1-CB 4.21Å; F308-V344 HydrophobicContact CD1-CG2 3.75Å; F308-V344 HydrophobicContact CE1-CG2 3.74Å; F308-I358 HydrophobicContact CB-CD1 4.4Å; F308-I358 HydrophobicContact CD1-CD1 4.45Å
309R95.6Very high96.2Very high70 Ų7064.7 Ų64.726%0.26430%0.297SS..SBendtrans-148.2152.1172.6-63.5-174.1-174.9-175.6-1.6109.7I240 R311 Q312 A337 T339I240-R309 PolarHBondContact O-NH2 3.4Å; R309-R311 PolarHBondContact O-N 2.98Å; R309-Q312 WeakPolarHBondContact O-CB 3.41Å; R309-Q312 PolarHBondContact O-N 3.34Å; R309-A337 PolarHBondContact NH2-O 2.91Å; R309-T339 PolarHBondContact NH2-OG1 2.79Å
310Y93Very high96.3Very high66 Ų6664 Ų6426%0.25929%0.289SS..THydrogen-bonded Turntrans-57.3137.1172.6-179.7-126.6000110.9N148 K149 D150 Y153 F154 Q312N148-Y310 PolarHBondContact O-OH 2.92Å; K149-Y310 PolarHBondContact O-OH 2.67Å; D150-Y310 VanDerWaalsContact O-CE2 3.31Å; D150-Y310 WeakPolarHBondContact O-CE2 3.45Å; Y153-Y310 HydrophobicContact CD1-CD2 4.34Å; Y153-Y310 HydrophobicContact CD1-CG 4.43Å; Y153-Y310 HydrophobicContact CG-CD2 4.46Å; F154-Y310 HydrophobicContact CD2-CD2 4.38Å; F154-Y310 AromaticContact CE2-CD1 3.78Å; F154-Y310 HydrophobicContact CE2-CD1 3.78Å; F154-Y310 AromaticContact CE2-CD2 3.5Å; F154-Y310 HydrophobicContact CE2-CD2 3.5Å; F154-Y310 VanDerWaalsContact CE2-CD2 3.5Å; F154-Y310 AromaticContact CE2-CE1 3.96Å; F154-Y310 HydrophobicContact CE2-CE1 3.96Å; F154-Y310 AromaticContact CE2-CE2 3.72Å; F154-Y310 HydrophobicContact CE2-CE2 3.72Å; F154-Y310 AromaticContact CE2-CG 3.55Å; F154-Y310 HydrophobicContact CE2-CG 3.55Å; F154-Y310 AromaticContact CE2-CZ 3.94Å; F154-Y310 AromaticContact CZ-CD1 3.6Å; F154-Y310 HydrophobicContact CZ-CD1 3.6Å; F154-Y310 AromaticContact CZ-CD2 3.88Å; F154-Y310 HydrophobicContact CZ-CD2 3.88Å; F154-Y310 HydrophobicContact CZ-CE1 4.18Å; F154-Y310 HydrophobicContact CZ-CE2 4.45Å; F154-Y310 AromaticContact CZ-CG 3.43Å; F154-Y310 HydrophobicContact CZ-CG 3.43Å; F154-Y310 VanDerWaalsContact CZ-CG 3.43Å; Y310-Q312 PolarHBondContact O-N 2.82Å
311R87.7Confident96.4Very high163 Ų16361 Ų6162%0.61527%0.272SS*.THydrogen-bonded Turntrans64.87.5-175.6-59.5178.5171.2172.9-0.1116.8N148 R309N148-R311 PolarHBondContact O-NE 2.99Å; R309-R311 PolarHBondContact O-N 2.98Å
312Q89.7Confident96.4Very high55 Ų5564.8 Ų64.826%0.25729%0.286SS..PPolyproline II helixtrans-69.4146.5164.6-164.7-178-22.500109.7K307 R309 Y310K307-Q312 WeakPolarHBondContact CE-O 3.4Å; R309-Q312 WeakPolarHBondContact O-CB 3.41Å; R309-Q312 PolarHBondContact O-N 3.34Å; Y310-Q312 PolarHBondContact O-N 2.82Å
313K93Very high96.2Very high183 Ų18367 Ų6780%0.79630%0.3SS*.PPolyproline II helixtrans-64.1144.7165.2-173.6-178.7177.2-175.60109.4
314D94Very high95.9Very high54 Ų5465.5 Ų65.529%0.28930%0.296SS..PPolyproline II helixtrans-60.4140.8174.7-56.5-24.7000111.9R143 T305 A306 K307R143-D314 IonicContact CZ-OD1 2.95Å; R143-D314 IonicContact CZ-OD2 2.77Å; R143-D314 IonicContact NH1-OD1 2.67Å; R143-D314 IonicContact NH2-OD1 3.99Å; R143-D314 PolarHBondContact NH2-OD1 2.86Å; R143-D314 IonicContact NH2-OD2 2.78Å; R143-D314 PolarHBondContact NH2-OD2 3.09Å; T305-D314 HydrophobicContact CG2-CB 4.49Å; A306-D314 WeakPolarHBondContact O-CA 2.85Å; K307-D314 WeakPolarHBondContact CE-OD1 3.22Å; K307-D314 WeakPolarHBondContact CG-OD1 3.33Å
315T97.5Very high95.6Very high29 Ų2972.1 Ų72.118%0.17833%0.326CS..EExtended strand (participates in β ladder)trans-112.9139.3172.3-61.10000109.5T305 A306 F308 V335T305-T315 CarbonylContact C-O 3.53Å; T305-T315 WeakPolarHBondContact CA-O 3.31Å; A306-T315 PolarHBondContact N-O 2.72Å; A306-T315 PolarHBondContact O-N 3.29Å; F308-T315 HydrophobicContact CE2-CG2 4.47Å; T315-V335 HydrophobicContact CG2-CG2 3.74Å
316K98.6Very high95.6Very high155 Ų15570.9 Ų70.967%0.67432%0.32SS*.EExtended strand (participates in β ladder)trans-66.5132.5172.4-69.1-176178.6-174.80110.7T305 A332T305-K316 HydrophobicContact CG2-CG 4.37Å; K316-A332 HydrophobicContact CB-CB 3.76Å; K316-A332 WeakPolarHBondContact O-CB 3.43Å; K316-A332 PolarHBondContact O-N 2.91Å
317V98.7Very high95.6Very high7 Ų770.9 Ų70.94%0.04232%0.32CS..EExtended strand (participates in β ladder)trans-140.2157-177.9-59.50000111.8E303 C304 A306 F308 V319 V329 T330 F331E303-V317 WeakPolarHBondContact CA-O 3.33Å; C304-V317 PolarHBondContact N-O 2.99Å; C304-V317 PolarHBondContact O-N 3.47Å; A306-V317 HydrophobicContact CB-CG1 3.96Å; A306-V317 HydrophobicContact CB-CG2 3.8Å; F308-V317 HydrophobicContact CZ-CG1 3.95Å; V317-V319 HydrophobicContact CG2-CG2 3.95Å; V317-V329 HydrophobicContact CB-CG1 3.8Å; V317-V329 HydrophobicContact CG1-CG1 3.91Å; V317-V329 HydrophobicContact CG2-CG1 4.06Å; V317-T330 CarbonylContact C-O 3.19Å; V317-T330 WeakPolarHBondContact CA-O 3.47Å; V317-T330 WeakPolarHBondContact CB-O 3.49Å; V317-F331 HydrophobicContact CG1-CD1 3.91Å
318F98.6Very high95.6Very high78 Ų7874 Ų7434%0.34233%0.331SS..EExtended strand (participates in β ladder)trans-111.3123.7165.7-175.8-99000108.9F302 E303 K320 T330F302-F318 WeakPolarHBondContact O-CA 3.3Å; E303-F318 HydrophobicContact CG-CD2 3.89Å; F318-K320 HydrophobicContact CD1-CB 4.46Å; F318-K320 HydrophobicContact CE1-CB 3.95Å; F318-K320 HydrophobicContact CE1-CD 4.21Å; F318-T330 PolarHBondContact N-O 2.83Å; F318-T330 PolarHBondContact O-N 2.95Å
319V98.5Very high95.6Very high0 Ų073.8 Ų73.80%033%0.33CS..EExtended strand (participates in β ladder)trans-110.1129-176.2-1750000109.1L298 G301 F302 V317 L327 R328 V329 F346L298-V319 HydrophobicContact CD2-CG1 4.41Å; G301-V319 CarbonylContact C-O 3.58Å; G301-V319 WeakPolarHBondContact CA-O 3.44Å; F302-V319 HydrophobicContact CD1-CB 4.49Å; F302-V319 HydrophobicContact CE1-CB 4.01Å; F302-V319 HydrophobicContact CE1-CG1 4.17Å; F302-V319 HydrophobicContact CE2-CB 4.3Å; F302-V319 HydrophobicContact CE2-CG2 4.4Å; F302-V319 HydrophobicContact CZ-CB 3.9Å; F302-V319 HydrophobicContact CZ-CG1 4.15Å; F302-V319 HydrophobicContact CZ-CG2 4.32Å; F302-V319 PolarHBondContact N-O 3.34Å; F302-V319 PolarHBondContact O-N 3Å; V317-V319 HydrophobicContact CG2-CG2 3.95Å; V319-L327 HydrophobicContact CG1-CB 4.42Å; V319-L327 HydrophobicContact CG1-CD1 4.04Å; V319-R328 WeakPolarHBondContact CA-O 3.23Å; V319-V329 HydrophobicContact CG1-CG2 4.42Å; V319-V329 HydrophobicContact CG2-CG1 4.34Å; V319-V329 HydrophobicContact CG2-CG2 4.4Å; V319-F346 HydrophobicContact CG1-CE1 4.33Å; V319-F346 HydrophobicContact CG1-CZ 4.26Å; V319-F346 HydrophobicContact CG2-CD1 3.69Å; V319-F346 HydrophobicContact CG2-CE1 3.58Å; V319-F346 HydrophobicContact CG2-CZ 4.32Å
320K98.1Very high95.8Very high87 Ų8773 Ų7338%0.37833%0.333SS..EExtended strand (participates in β ladder)trans-144.5148178.7-170.6174.7-179.9162.10110.9D299 F318 E322 L327 R328D299-K320 WeakPolarHBondContact O-CE 3.17Å; F318-K320 HydrophobicContact CD1-CB 4.46Å; F318-K320 HydrophobicContact CE1-CB 3.95Å; F318-K320 HydrophobicContact CE1-CD 4.21Å; K320-E322 PolarHBondContact O-N 2.88Å; K320-L327 CarbonylContact O-C 3.57Å; K320-L327 WeakPolarHBondContact O-CA 3.34Å; K320-R328 PolarHBondContact N-O 2.93Å; K320-R328 PolarHBondContact O-N 3.43Å
321R97.5Very high96Very high73 Ų7370.6 Ų70.628%0.27532%0.324SS..EExtended strand (participates in β ladder)trans-59.5123.7169.2-171.2-178.4-60.4-73.9-2.2109.8Y288 L298 D299 N323Y288-R321 PolarHBondContact OH-NH1 2.72Å; L298-R321 HydrophobicContact CB-CB 4.12Å; L298-R321 VanDerWaalsContact O-CB 3.32Å; L298-R321 WeakPolarHBondContact O-CB 3.32Å; L298-R321 PolarHBondContact O-N 2.69Å; D299-R321 IonicContact OD1-CZ 3.48Å; D299-R321 IonicContact OD1-NE 2.6Å; D299-R321 PolarHBondContact OD1-NE 3.38Å; R321-N323 WeakPolarHBondContact CG-O 3.19Å
322E96.3Very high96.5Very high92 Ų9266.3 Ų66.343%0.4332%0.323SS..EExtended strand (participates in β ladder)trans-87.3-42171.2-175.669.5-172.100110I284 K320 A326 R328I284-E322 HydrophobicContact CD1-CB 4.27Å; I284-E322 HydrophobicContact CD1-CG 3.92Å; K320-E322 PolarHBondContact O-N 2.88Å; E322-A326 HydrophobicContact CB-CB 4.35Å; E322-A326 PolarHBondContact N-O 2.93Å; E322-R328 HydrophobicContact CB-CB 4.24Å; E322-R328 WeakPolarHBondContact OE2-CB 3.29Å; E322-R328 WeakPolarHBondContact OE2-CD 3.46Å
323N95.1Very high96.8Very high79 Ų7970.7 Ų70.742%0.42234%0.344SS..EExtended strand (participates in β ladder)trans-158.6-172.717460.158000110.3R321 H325 A326R321-N323 WeakPolarHBondContact CG-O 3.19Å; N323-H325 PolarHBondContact O-N 2.79Å; N323-H325 PolarHBondContact OD1-N 2.97Å; N323-A326 PolarHBondContact N-O 2.93Å; N323-A326 PolarHBondContact O-N 2.89Å; N323-A326 PolarHBondContact OD1-N 2.8Å
324D90.6Very high97Very high125 Ų12565.4 Ų65.467%0.66833%0.329SS*.THydrogen-bonded Turntrans-56.8-19.8-178-66-11.5000114.5
325H93.4Very high97.1Very high146 Ų14663.2 Ų63.268%0.67632%0.317SS*.THydrogen-bonded Turntrans-124.8-2.4-173-56.3-45.9000114.3N323N323-H325 PolarHBondContact O-N 2.79Å; N323-H325 PolarHBondContact OD1-N 2.97Å
326A97.5Very high97.1Very high8 Ų864.1 Ų64.17%0.06632%0.317CS..EExtended strand (participates in β ladder)trans-141.3148.9-171.600000113.5I284 A285 E322 N323I284-A326 HydrophobicContact CG2-CB 3.83Å; A285-A326 CarbonylContact O-C 3.57Å; A285-A326 WeakPolarHBondContact O-CA 3.38Å; E322-A326 HydrophobicContact CB-CB 4.35Å; E322-A326 PolarHBondContact N-O 2.93Å; N323-A326 PolarHBondContact N-O 2.93Å; N323-A326 PolarHBondContact O-N 2.89Å; N323-A326 PolarHBondContact OD1-N 2.8Å
327L98.2Very high96.9Very high0 Ų056.9 Ų56.90%029%0.286CS..EExtended strand (participates in β ladder)trans-109140.8172.3-55.9-177.6000109.8I284 A285 Y288 F290 L298 V319 K320 F346I284-L327 CarbonylContact C-O 3.44Å; I284-L327 WeakPolarHBondContact CA-O 3.25Å; A285-L327 PolarHBondContact N-O 3.47Å; A285-L327 PolarHBondContact O-N 2.92Å; Y288-L327 HydrophobicContact CD1-CD1 4.02Å; Y288-L327 HydrophobicContact CD1-CD2 3.99Å; Y288-L327 HydrophobicContact CD1-CG 3.61Å; Y288-L327 HydrophobicContact CD2-CD1 4.23Å; Y288-L327 HydrophobicContact CE1-CD2 4Å; Y288-L327 HydrophobicContact CE1-CG 4.14Å; Y288-L327 HydrophobicContact CG-CD1 3.7Å; Y288-L327 HydrophobicContact CG-CD2 4.3Å; Y288-L327 HydrophobicContact CG-CG 3.86Å; F290-L327 HydrophobicContact CE2-CD1 3.96Å; F290-L327 HydrophobicContact CZ-CD1 4.08Å; L298-L327 HydrophobicContact CD1-CD2 4.19Å; L298-L327 HydrophobicContact CD2-CD1 4.47Å; L298-L327 HydrophobicContact CD2-CD2 3.81Å; V319-L327 HydrophobicContact CG1-CB 4.42Å; V319-L327 HydrophobicContact CG1-CD1 4.04Å; K320-L327 CarbonylContact O-C 3.57Å; K320-L327 WeakPolarHBondContact O-CA 3.34Å; L327-F346 HydrophobicContact CD1-CE2 4.15Å; L327-F346 HydrophobicContact CD1-CZ 4.3Å
328R98.2Very high96.8Very high80 Ų8056.8 Ų56.830%0.30229%0.285SS..EExtended strand (participates in β ladder)trans-94127.5162-176.6172.6-170.71572.5109.4Y282 I284 V319 K320 E322Y282-R328 HydrophobicContact CD2-CG 4.08Å; Y282-R328 VanDerWaalsContact CE1-NH2 3.34Å; I284-R328 HydrophobicContact CD1-CB 3.77Å; I284-R328 HydrophobicContact CD1-CG 3.95Å; V319-R328 WeakPolarHBondContact CA-O 3.23Å; K320-R328 PolarHBondContact N-O 2.93Å; K320-R328 PolarHBondContact O-N 3.43Å; E322-R328 HydrophobicContact CB-CB 4.24Å; E322-R328 WeakPolarHBondContact OE2-CB 3.29Å; E322-R328 WeakPolarHBondContact OE2-CD 3.46Å
329V98.5Very high96.8Very high0 Ų053.2 Ų53.20%027%0.27CS..EExtended strand (participates in β ladder)trans-117.8104177-175.80000108Y282 L283 V317 V319 F331 F346Y282-V329 VanDerWaalsContact CA-O 3.23Å; Y282-V329 WeakPolarHBondContact CA-O 3.46Å; Y282-V329 VanDerWaalsContact CB-O 3.29Å; Y282-V329 WeakPolarHBondContact CB-O 3.4Å; L283-V329 HydrophobicContact CD1-CB 3.72Å; L283-V329 HydrophobicContact CD1-CG2 3.74Å; L283-V329 HydrophobicContact CG-CB 3.95Å; L283-V329 PolarHBondContact N-O 2.93Å; L283-V329 PolarHBondContact O-N 3.07Å; V317-V329 HydrophobicContact CB-CG1 3.8Å; V317-V329 HydrophobicContact CG1-CG1 3.91Å; V317-V329 HydrophobicContact CG2-CG1 4.06Å; V319-V329 HydrophobicContact CG1-CG2 4.42Å; V319-V329 HydrophobicContact CG2-CG1 4.34Å; V319-V329 HydrophobicContact CG2-CG2 4.4Å; V329-F331 HydrophobicContact CB-CE1 4.49Å; V329-F331 HydrophobicContact CG1-CD1 4.33Å; V329-F331 HydrophobicContact CG1-CE1 4.08Å; V329-F331 VanDerWaalsContact O-CE1 3.32Å; V329-F331 WeakPolarHBondContact O-CE1 3.06Å; V329-F346 HydrophobicContact CG1-CE1 4.12Å; V329-F346 HydrophobicContact CG2-CE1 3.67Å; V329-F346 HydrophobicContact CG2-CZ 3.76Å
330T98.5Very high96.7Very high53 Ų5353.3 Ų53.333%0.32527%0.271SS..EExtended strand (participates in β ladder)trans-93.5129.9-179.9-560000109.8V317 F318V317-T330 CarbonylContact C-O 3.19Å; V317-T330 WeakPolarHBondContact CA-O 3.47Å; V317-T330 WeakPolarHBondContact CB-O 3.49Å; F318-T330 PolarHBondContact N-O 2.83Å; F318-T330 PolarHBondContact O-N 2.95Å
331F98.2Very high96.6Very high15 Ų1549.2 Ų49.27%0.06625%0.253CS..EExtended strand (participates in β ladder)trans-89142.8-177.5-39.3-40.4000110.5S280 D281 L283 F308 V317 V329 E333 V335 I338S280-F331 WeakPolarHBondContact O-CD2 3.41Å; S280-F331 WeakPolarHBondContact O-CE2 3.18Å; D281-F331 WeakPolarHBondContact O-CD2 3.01Å; D281-F331 WeakPolarHBondContact O-CG 3.46Å; D281-F331 PolarHBondContact O-N 3.28Å; L283-F331 HydrophobicContact CB-CZ 4Å; L283-F331 HydrophobicContact CD2-CE1 3.87Å; L283-F331 HydrophobicContact CD2-CZ 3.75Å; L283-F331 HydrophobicContact CG-CE1 3.9Å; L283-F331 HydrophobicContact CG-CZ 3.82Å; F308-F331 HydrophobicContact CE1-CD1 4.1Å; F308-F331 AromaticContact CE1-CE1 3.53Å; F308-F331 HydrophobicContact CE1-CE1 3.53Å; F308-F331 HydrophobicContact CE1-CZ 4.23Å; F308-F331 AromaticContact CZ-CD1 3.66Å; F308-F331 HydrophobicContact CZ-CD1 3.66Å; F308-F331 AromaticContact CZ-CE1 3.56Å; F308-F331 HydrophobicContact CZ-CE1 3.56Å; F308-F331 HydrophobicContact CZ-CZ 4.35Å; V317-F331 HydrophobicContact CG1-CD1 3.91Å; V329-F331 HydrophobicContact CB-CE1 4.49Å; V329-F331 HydrophobicContact CG1-CD1 4.33Å; V329-F331 HydrophobicContact CG1-CE1 4.08Å; V329-F331 VanDerWaalsContact O-CE1 3.32Å; V329-F331 WeakPolarHBondContact O-CE1 3.06Å; F331-E333 VanDerWaalsContact C-N 3.25Å; F331-E333 WeakPolarHBondContact CB-O 3.27Å; F331-E333 PolarHBondContact O-N 2.95Å; F331-V335 HydrophobicContact CB-CG2 3.87Å; F331-V335 HydrophobicContact CD1-CG2 4.29Å; F331-V335 HydrophobicContact CD2-CB 3.85Å; F331-V335 HydrophobicContact CD2-CG2 3.61Å; F331-V335 HydrophobicContact CE2-CB 4.08Å; F331-V335 HydrophobicContact CE2-CG2 4.26Å; F331-V335 HydrophobicContact CG-CB 4.36Å; F331-V335 HydrophobicContact CG-CG2 3.64Å; F331-I338 HydrophobicContact CE2-CD1 4.41Å; F331-I338 HydrophobicContact CE2-CG1 3.95Å; F331-I338 HydrophobicContact CZ-CD1 4.09Å; F331-I338 HydrophobicContact CZ-CG1 3.92Å
332A97.8Very high96.6Very high73 Ų7347 Ų4760%0.60325%0.246SC*.EExtended strand (participates in β ladder)trans-67.2-30.6173.900000112.2K316K316-A332 HydrophobicContact CB-CB 3.76Å; K316-A332 WeakPolarHBondContact O-CB 3.43Å; K316-A332 PolarHBondContact O-N 2.91Å
333E96.7Very high96.7Very high147 Ų14742.9 Ų42.969%0.68723%0.228SC*.EExtended strand (participates in β ladder)trans-135.6147.3174.8-66.6177.9-173.300108.9F331 V335F331-E333 VanDerWaalsContact C-N 3.25Å; F331-E333 WeakPolarHBondContact CB-O 3.27Å; F331-E333 PolarHBondContact O-N 2.95Å; E333-V335 WeakPolarHBondContact O-CG2 3.47Å; E333-V335 PolarHBondContact O-N 2.87Å
334P96.7Very high96.8Very high73 Ų7339.1 Ų39.147%0.47421%0.208SC..EExtended strand (participates in β ladder)trans-55132.2-180-27.234.9000112.7Y279 S280Y279-P334 HydrophobicContact CD1-CB 3.88Å; Y279-P334 WeakPolarHBondContact CD1-O 3.47Å; Y279-P334 HydrophobicContact CG-CB 4.46Å; S280-P334 CarbonylContact O-C 3.51Å; S280-P334 VanDerWaalsContact O-CA 3.23Å; S280-P334 WeakPolarHBondContact O-CA 3.07Å
335V97Very high97.2Very high8 Ų833.2 Ų33.25%0.04818%0.176CC..EExtended strand (participates in β ladder)trans-105.9135.7-176.7-176.10000110.9Y279 S280 F308 T315 F331 E333 I338Y279-V335 WeakPolarHBondContact CA-O 3.46Å; S280-V335 PolarHBondContact N-O 3.01Å; S280-V335 PolarHBondContact O-N 3Å; S280-V335 PolarHBondContact OG-O 2.94Å; F308-V335 HydrophobicContact CD2-CG1 3.76Å; F308-V335 HydrophobicContact CE2-CB 4.32Å; F308-V335 HydrophobicContact CE2-CG1 3.81Å; F308-V335 HydrophobicContact CE2-CG2 3.85Å; F308-V335 HydrophobicContact CZ-CG2 4.33Å; T315-V335 HydrophobicContact CG2-CG2 3.74Å; F331-V335 HydrophobicContact CB-CG2 3.87Å; F331-V335 HydrophobicContact CD1-CG2 4.29Å; F331-V335 HydrophobicContact CD2-CB 3.85Å; F331-V335 HydrophobicContact CD2-CG2 3.61Å; F331-V335 HydrophobicContact CE2-CB 4.08Å; F331-V335 HydrophobicContact CE2-CG2 4.26Å; F331-V335 HydrophobicContact CG-CB 4.36Å; F331-V335 HydrophobicContact CG-CG2 3.64Å; E333-V335 WeakPolarHBondContact O-CG2 3.47Å; E333-V335 PolarHBondContact O-N 2.87Å; V335-I338 HydrophobicContact CB-CD1 3.96Å; V335-I338 HydrophobicContact CB-CG1 4.18Å; V335-I338 HydrophobicContact CG1-CD1 3.53Å; V335-I338 HydrophobicContact CG1-CG1 4.15Å
336R95.8Very high97.5Very high48 Ų4826.2 Ų26.218%0.18114%0.144CC..EExtended strand (participates in β ladder)trans-78.8135.8179.8-170.9-171.5175.4-83.41.4112.3F273 L278 Y279 I338F273-R336 PolarHBondContact O-NE 2.72Å; F273-R336 PolarHBondContact O-NH2 2.76Å; L278-R336 HydrophobicContact CB-CG 3.91Å; L278-R336 CarbonylContact O-C 3.5Å; L278-R336 VanDerWaalsContact O-CA 3.29Å; L278-R336 WeakPolarHBondContact O-CA 3.46Å; Y279-R336 HydrophobicContact CD1-CB 4.3Å; Y279-R336 HydrophobicContact CE1-CB 3.91Å; Y279-R336 HydrophobicContact CE2-CB 4.39Å; Y279-R336 HydrophobicContact CE2-CG 4.35Å; R336-I338 PolarHBondContact O-N 2.96Å
337A95.5Very high97.5Very high3 Ų325.9 Ų25.93%0.02514%0.14CC..THydrogen-bonded Turntrans55.841.9166.700000114.2I240 L278 R309 T339I240-A337 HydrophobicContact CG2-CB 4.17Å; L278-A337 HydrophobicContact CD2-CB 4.39Å; L278-A337 PolarHBondContact O-N 3.31Å; R309-A337 PolarHBondContact NH2-O 2.91Å; A337-T339 PolarHBondContact O-N 2.91Å; A337-T339 PolarHBondContact O-OG1 2.86Å
338I97.1Very high97.5Very high4 Ų431.1 Ų31.12%0.02117%0.165CC..  trans-55.3135164.4-60.2-58.2000108.4S280 L283 F308 F331 V335 R336 I358 V361S280-I338 WeakPolarHBondContact OG-CG1 3.39Å; L283-I338 HydrophobicContact CB-CG2 4.17Å; L283-I338 HydrophobicContact CD2-CD1 4.41Å; L283-I338 HydrophobicContact CD2-CG2 3.71Å; F308-I338 HydrophobicContact CB-CD1 3.66Å; F308-I338 HydrophobicContact CD1-CD1 3.58Å; F308-I338 HydrophobicContact CD2-CD1 3.67Å; F308-I338 HydrophobicContact CE1-CD1 4.1Å; F308-I338 HydrophobicContact CE2-CD1 4.18Å; F308-I338 HydrophobicContact CG-CD1 3.32Å; F308-I338 HydrophobicContact CZ-CD1 4.37Å; F331-I338 HydrophobicContact CE2-CD1 4.41Å; F331-I338 HydrophobicContact CE2-CG1 3.95Å; F331-I338 HydrophobicContact CZ-CD1 4.09Å; F331-I338 HydrophobicContact CZ-CG1 3.92Å; V335-I338 HydrophobicContact CB-CD1 3.96Å; V335-I338 HydrophobicContact CB-CG1 4.18Å; V335-I338 HydrophobicContact CG1-CD1 3.53Å; V335-I338 HydrophobicContact CG1-CG1 4.15Å; R336-I338 PolarHBondContact O-N 2.96Å; I338-I358 HydrophobicContact CG2-CD1 4.22Å; I338-I358 HydrophobicContact CG2-CG2 3.8Å; I338-V361 HydrophobicContact CB-CG1 3.87Å; I338-V361 HydrophobicContact CB-CG2 4.06Å; I338-V361 HydrophobicContact CG2-CB 4.38Å; I338-V361 HydrophobicContact CG2-CG1 3.99Å; I338-V361 HydrophobicContact CG2-CG2 3.48Å; I338-V361 VanDerWaalsContact CG2-CG2 3.48Å
339T96.8Very high97.4Very high3 Ų329.8 Ų29.82%0.01818%0.176CC..  trans-133.9116.1-167-60.90000110.7T239 I240 R309 A337 Q342T239-T339 HydrophobicContact CG2-CG2 3.73Å; I240-T339 HydrophobicContact CG1-CG2 4.41Å; R309-T339 PolarHBondContact NH2-OG1 2.79Å; A337-T339 PolarHBondContact O-N 2.91Å; A337-T339 PolarHBondContact O-OG1 2.86Å; T339-Q342 HydrophobicContact CG2-CG 4.02Å; T339-Q342 WeakPolarHBondContact O-CB 3.41Å; T339-Q342 PolarHBondContact O-N 2.93Å
340P96.9Very high97.3Very high3 Ų334 Ų342%0.01920%0.198CC..THydrogen-bonded Turntrans-53.9138.3172.7-33.542.1000113.2R94 T95 Q342 I358 D359 V361 V371 V372R94-P340 WeakPolarHBondContact CB-O 3.38Å; R94-P340 HydrophobicContact CG-CB 4.02Å; T95-P340 PolarHBondContact N-O 2.98Å; P340-Q342 VanDerWaalsContact C-N 3.32Å; P340-I358 CarbonylContact C-O 3.55Å; P340-I358 VanDerWaalsContact CA-O 3.28Å; P340-I358 WeakPolarHBondContact CA-O 3.18Å; P340-D359 VanDerWaalsContact CB-O 3.32Å; P340-D359 WeakPolarHBondContact CB-O 3.24Å; P340-D359 WeakPolarHBondContact CG-O 3.49Å; P340-V361 HydrophobicContact CG-CG2 4.07Å; P340-V371 VanDerWaalsContact CD-CG1 3.49Å; P340-V371 HydrophobicContact CG-CG1 3.91Å; P340-V372 HydrophobicContact CB-CG2 3.7Å; P340-V372 HydrophobicContact CG-CG2 3.51Å
341G96.5Very high97.3Very high1 Ų132.9 Ų32.91%0.0119%0.192CC..THydrogen-bonded Turntrans86.7-15.4-174.500000115.1T95 I358T95-G341 CarbonylContact O-C 3.6Å; G341-I358 PolarHBondContact N-O 2.92Å
342Q97.4Very high97.3Very high27 Ų2732.2 Ų32.213%0.12619%0.189CC..SBendtrans-77.2161.5170.7-69.1-68.8-77.900110.8T95 P96 T339 P340 I358T95-Q342 PolarHBondContact O-N 3.21Å; T95-Q342 PolarHBondContact O-NE2 3.41Å; P96-Q342 PolarHBondContact O-NE2 3.05Å; P96-Q342 VanDerWaalsContact O-NE2 3.1Å; T339-Q342 HydrophobicContact CG2-CG 4.02Å; T339-Q342 WeakPolarHBondContact O-CB 3.41Å; T339-Q342 PolarHBondContact O-N 2.93Å; P340-Q342 VanDerWaalsContact C-N 3.32Å; Q342-I358 HydrophobicContact CB-CD1 4.29Å; Q342-I358 WeakPolarHBondContact O-CB 3.25Å; Q342-I358 WeakPolarHBondContact O-CG1 3.27Å; Q342-I358 PolarHBondContact O-N 3.02Å
343A98Very high97.3Very high5 Ų529.8 Ų29.84%0.04117%0.166CC..EExtended strand (participates in β ladder)trans-84.6136.7175.300000111.2V100 Y153 F308 V345 A356V100-A343 HydrophobicContact CG2-CB 4.27Å; Y153-A343 HydrophobicContact CE2-CB 4.42Å; Y153-A343 WeakPolarHBondContact CE2-O 3.38Å; Y153-A343 PolarHBondContact OH-O 3.18Å; F308-A343 CarbonylContact C-O 3.59Å; A343-V345 HydrophobicContact CB-CG2 4.22Å; A343-A356 CarbonylContact C-O 3.56Å; A343-A356 VanDerWaalsContact CA-O 3.29Å; A343-A356 WeakPolarHBondContact CA-O 3.38Å
344V98.5Very high97.4Very high0 Ų022.8 Ų22.80%013%0.133CC..EExtended strand (participates in β ladder)trans-95.7130.6157.558.80000108.1L283 A285 A306 K307 F308 F346 G355 A356 I358L283-V344 HydrophobicContact CD1-CG1 4.4Å; A285-V344 HydrophobicContact CB-CG1 3.87Å; A306-V344 HydrophobicContact CB-CG2 3.97Å; K307-V344 WeakPolarHBondContact O-CA 3.21Å; F308-V344 HydrophobicContact CD1-CB 4.21Å; F308-V344 HydrophobicContact CD1-CG2 3.75Å; F308-V344 HydrophobicContact CE1-CG2 3.74Å; V344-F346 HydrophobicContact CG1-CE1 4.31Å; V344-F346 HydrophobicContact CG1-CE2 4.49Å; V344-F346 HydrophobicContact CG1-CZ 3.81Å; V344-F346 HydrophobicContact CG2-CD1 4.28Å; V344-F346 HydrophobicContact CG2-CE1 3.61Å; V344-F346 HydrophobicContact CG2-CZ 4Å; V344-G355 CarbonylContact O-C 3.59Å; V344-G355 WeakPolarHBondContact O-CA 3.47Å; V344-A356 HydrophobicContact CG1-CB 3.81Å; V344-A356 PolarHBondContact N-O 3.29Å; V344-A356 PolarHBondContact O-N 3.25Å; V344-I358 HydrophobicContact CB-CD1 4.23Å; V344-I358 HydrophobicContact CB-CG1 3.96Å; V344-I358 HydrophobicContact CG1-CG1 4.15Å
345V98.6Very high97.4Very high0 Ų019.3 Ų19.30%011%0.11CC..EExtended strand (participates in β ladder)trans-126.9127.6-176.1-176.30000109.4Y153 N156 A306 K307 A343 Y347 G354Y153-V345 HydrophobicContact CD2-CB 3.91Å; Y153-V345 HydrophobicContact CD2-CG2 3.37Å; Y153-V345 HydrophobicContact CE2-CB 4.3Å; Y153-V345 HydrophobicContact CE2-CG2 3.57Å; Y153-V345 HydrophobicContact CG-CG2 4.11Å; N156-V345 HydrophobicContact CB-CB 4.23Å; N156-V345 HydrophobicContact CB-CG1 3.68Å; N156-V345 HydrophobicContact CB-CG2 3.61Å; A306-V345 CarbonylContact C-O 3.52Å; A306-V345 WeakPolarHBondContact CA-O 3.29Å; K307-V345 PolarHBondContact N-O 3.45Å; K307-V345 PolarHBondContact O-N 2.94Å; A343-V345 HydrophobicContact CB-CG2 4.22Å; V345-Y347 HydrophobicContact CB-CE2 3.89Å; V345-Y347 HydrophobicContact CG1-CD2 4.25Å; V345-Y347 HydrophobicContact CG1-CE1 4.46Å; V345-Y347 HydrophobicContact CG1-CE2 3.45Å; V345-Y347 VanDerWaalsContact CG1-CE2 3.45Å; V345-Y347 WeakPolarHBondContact O-CD2 3.35Å; V345-G354 WeakPolarHBondContact CA-O 3.45Å; V345-G354 WeakPolarHBondContact CG1-O 3.48Å
346F98.6Very high97.5Very high0 Ų019 Ų190%011%0.108CC..EExtended strand (participates in β ladder)trans-100.5140.1-171.2-49.4-66.5000111.5F290 T305 A306 V319 L327 V329 V344 L353 G354 A356F290-F346 AromaticContact CE1-CD2 3.81Å; F290-F346 HydrophobicContact CE1-CD2 3.81Å; F290-F346 HydrophobicContact CE1-CE2 4.42Å; F290-F346 AromaticContact CZ-CD2 3.92Å; F290-F346 HydrophobicContact CZ-CD2 3.92Å; F290-F346 HydrophobicContact CZ-CE2 4.07Å; T305-F346 CarbonylContact O-C 3.44Å; T305-F346 WeakPolarHBondContact O-CA 3.48Å; A306-F346 HydrophobicContact CB-CD1 4.09Å; V319-F346 HydrophobicContact CG1-CE1 4.33Å; V319-F346 HydrophobicContact CG1-CZ 4.26Å; V319-F346 HydrophobicContact CG2-CD1 3.69Å; V319-F346 HydrophobicContact CG2-CE1 3.58Å; V319-F346 HydrophobicContact CG2-CZ 4.32Å; L327-F346 HydrophobicContact CD1-CE2 4.15Å; L327-F346 HydrophobicContact CD1-CZ 4.3Å; V329-F346 HydrophobicContact CG1-CE1 4.12Å; V329-F346 HydrophobicContact CG2-CE1 3.67Å; V329-F346 HydrophobicContact CG2-CZ 3.76Å; V344-F346 HydrophobicContact CG1-CE1 4.31Å; V344-F346 HydrophobicContact CG1-CE2 4.49Å; V344-F346 HydrophobicContact CG1-CZ 3.81Å; V344-F346 HydrophobicContact CG2-CD1 4.28Å; V344-F346 HydrophobicContact CG2-CE1 3.61Å; V344-F346 HydrophobicContact CG2-CZ 4Å; F346-L353 HydrophobicContact CB-CB 4.16Å; F346-L353 HydrophobicContact CB-CD1 4.3Å; F346-L353 PolarHBondContact O-N 2.93Å; F346-G354 PolarHBondContact N-O 3.21Å; F346-A356 HydrophobicContact CE2-CB 4.41Å
347Y98.4Very high97.6Very high0 Ų017 Ų170%010%0.101CC..EExtended strand (participates in β ladder)trans-139.9139-175.8-63.5-91.9000112.7R143 T152 Y153 C304 T305 K307 V345 V351 C352R143-Y347 HydrophobicContact CG-CD1 4.23Å; R143-Y347 HydrophobicContact CG-CE1 4.01Å; R143-Y347 VanDerWaalsContact NH1-CZ 3.29Å; R143-Y347 VanDerWaalsContact NH2-CD1 3.28Å; R143-Y347 VanDerWaalsContact NH2-CD2 3.26Å; T152-Y347 VanDerWaalsContact OG1-CE1 3.27Å; T152-Y347 WeakPolarHBondContact OG1-CE1 3.48Å; T152-Y347 PolarHBondContact OG1-OH 3.46Å; Y153-Y347 PolarHBondContact N-OH 2.73Å; C304-Y347 WeakPolarHBondContact CB-O 3.38Å; T305-Y347 PolarHBondContact N-O 3.42Å; T305-Y347 PolarHBondContact O-N 2.87Å; T305-Y347 PolarHBondContact OG1-O 2.44Å; T305-Y347 VanDerWaalsContact OG1-O 3.1Å; K307-Y347 HydrophobicContact CB-CE2 4.34Å; K307-Y347 HydrophobicContact CD-CE2 4.06Å; K307-Y347 HydrophobicContact CG-CE2 4.03Å; V345-Y347 HydrophobicContact CB-CE2 3.89Å; V345-Y347 HydrophobicContact CG1-CD2 4.25Å; V345-Y347 HydrophobicContact CG1-CE1 4.46Å; V345-Y347 HydrophobicContact CG1-CE2 3.45Å; V345-Y347 VanDerWaalsContact CG1-CE2 3.45Å; V345-Y347 WeakPolarHBondContact O-CD2 3.35Å; Y347-V351 CarbonylContact C-O 3.44Å; Y347-V351 WeakPolarHBondContact CA-O 3.23Å; Y347-C352 HydrophobicContact CD1-CB 3.82Å; Y347-C352 HydrophobicContact CE1-CB 3.58Å
348Q97.6Very high97.7Very high111 Ų11116.8 Ų16.852%0.51910%0.1SC..EExtended strand (participates in β ladder)trans-113.993.7167.8-171.560.924.500109.3D350 V351 L353Q348-D350 PolarHBondContact O-N 3.1Å; Q348-V351 PolarHBondContact N-O 3Å; Q348-V351 PolarHBondContact O-N 3.37Å; Q348-L353 HydrophobicContact CB-CD1 4.17Å; Q348-L353 HydrophobicContact CB-CD2 3.92Å; Q348-L353 HydrophobicContact CB-CG 4.23Å
349G96.4Very high97.7Very high52 Ų5217.7 Ų17.754%0.53611%0.105SC..THydrogen-bonded Turntrans61.5-117.2-169.900000111.2R143R143-G349 PolarHBondContact NE-O 3.34Å
350D96.6Very high97.6Very high87 Ų8720.1 Ų20.147%0.46512%0.118SC..THydrogen-bonded Turntrans-83.5-16.5176.6-80.80.7000113.4R130 L142 R143 Q348 C352R130-D350 IonicContact NH2-OD2 3.31Å; R130-D350 PolarHBondContact NH2-OD2 3.01Å; L142-D350 CarbonylContact C-O 3.57Å; L142-D350 VanDerWaalsContact CA-O 3.29Å; L142-D350 WeakPolarHBondContact CA-O 3.37Å; L142-D350 HydrophobicContact CD2-CB 4.43Å; R143-D350 WeakPolarHBondContact CG-O 3.45Å; R143-D350 PolarHBondContact N-O 2.63Å; Q348-D350 PolarHBondContact O-N 3.1Å; D350-C352 PolarHBondContact O-N 3.16Å
351V97.9Very high97.6Very high31 Ų3120.2 Ų20.219%0.18812%0.118CC..EExtended strand (participates in β ladder)trans-78.6122.2-177.5-173.70000109.6E140 L142 Y347 Q348 L353E140-V351 HydrophobicContact CB-CG1 4.28Å; E140-V351 HydrophobicContact CG-CG1 4.35Å; L142-V351 HydrophobicContact CD2-CB 4.18Å; L142-V351 HydrophobicContact CD2-CG2 3.6Å; Y347-V351 CarbonylContact C-O 3.44Å; Y347-V351 WeakPolarHBondContact CA-O 3.23Å; Q348-V351 PolarHBondContact N-O 3Å; Q348-V351 PolarHBondContact O-N 3.37Å; V351-L353 HydrophobicContact CG1-CD2 4.08Å; V351-L353 PolarHBondContact O-N 3.15Å
352C98.3Very high97.6Very high1 Ų121.5 Ų21.51%0.00712%0.124CC..EExtended strand (participates in β ladder)trans-82.5109.4166.7-174.50000108.9M141 T152 Y347 D350M141-C352 HydrophobicContact CB-CB 4.37Å; M141-C352 HydrophobicContact CE-CB 3.63Å; M141-C352 WeakPolarHBondContact CE-SG 3.42Å; M141-C352 HydrophobicContact CG-CB 4.28Å; M141-C352 PolarHBondContact O-N 2.82Å; T152-C352 HydrophobicContact CG2-CB 4.2Å; Y347-C352 HydrophobicContact CD1-CB 3.82Å; Y347-C352 HydrophobicContact CE1-CB 3.58Å; D350-C352 PolarHBondContact O-N 3.16Å
353L98.1Very high97.5Very high22 Ų2221.5 Ų21.512%0.11512%0.123CC..EExtended strand (participates in β ladder)trans-73.8-32.1-177.1-55.5175.6000111.5F290 V291 F302 C304 F346 Q348 V351F290-L353 CarbonylContact C-O 2.99Å; F290-L353 VanDerWaalsContact CA-O 3.26Å; F290-L353 WeakPolarHBondContact CA-O 3.21Å; F290-L353 HydrophobicContact CD1-CB 4.1Å; F290-L353 WeakPolarHBondContact CD1-O 3.34Å; F290-L353 HydrophobicContact CE1-CB 4.3Å; V291-L353 PolarHBondContact N-O 3.5Å; F302-L353 HydrophobicContact CE2-CD1 3.85Å; C304-L353 HydrophobicContact CB-CD1 4.08Å; F346-L353 HydrophobicContact CB-CB 4.16Å; F346-L353 HydrophobicContact CB-CD1 4.3Å; F346-L353 PolarHBondContact O-N 2.93Å; Q348-L353 HydrophobicContact CB-CD1 4.17Å; Q348-L353 HydrophobicContact CB-CD2 3.92Å; Q348-L353 HydrophobicContact CB-CG 4.23Å; V351-L353 HydrophobicContact CG1-CD2 4.08Å; V351-L353 PolarHBondContact O-N 3.15Å
354G97.9Very high97.1Very high0 Ų027.5 Ų27.50%016%0.155CC..EExtended strand (participates in β ladder)trans147.4-160.1-174.100000112N156 S289 V345 F346N156-G354 CarbonylContact O-C 3.59Å; N156-G354 WeakPolarHBondContact O-CA 3.33Å; S289-G354 CarbonylContact O-C 3.58Å; S289-G354 WeakPolarHBondContact O-CA 3.47Å; V345-G354 WeakPolarHBondContact CA-O 3.45Å; V345-G354 WeakPolarHBondContact CG1-O 3.48Å; F346-G354 PolarHBondContact N-O 3.21Å
355G98.1Very high96.1Very high0 Ų035.9 Ų35.90%019%0.194CC..EExtended strand (participates in β ladder)trans-169.2179.1178.500000113.9N156 Q157 Y288 S289 V344N156-G355 PolarHBondContact O-N 2.96Å; N156-G355 WeakPolarHBondContact OD1-CA 3.42Å; Q157-G355 PolarHBondContact NE2-O 3.36Å; Y288-G355 CarbonylContact C-O 3.51Å; Y288-G355 VanDerWaalsContact CA-O 3.25Å; Y288-G355 WeakPolarHBondContact CA-O 3.47Å; S289-G355 PolarHBondContact N-O 2.87Å; S289-G355 PolarHBondContact O-N 3.02Å; V344-G355 CarbonylContact O-C 3.59Å; V344-G355 WeakPolarHBondContact O-CA 3.47Å
356A98.2Very high95.5Very high0 Ų037.6 Ų37.60%021%0.211CC..EExtended strand (participates in β ladder)trans-150.1167-174.800000110.7A285 S286 A343 V344 F346A285-A356 HydrophobicContact CB-CB 3.68Å; S286-A356 WeakPolarHBondContact O-CB 3.32Å; A343-A356 CarbonylContact C-O 3.56Å; A343-A356 VanDerWaalsContact CA-O 3.29Å; A343-A356 WeakPolarHBondContact CA-O 3.38Å; V344-A356 HydrophobicContact CG1-CB 3.81Å; V344-A356 PolarHBondContact N-O 3.29Å; V344-A356 PolarHBondContact O-N 3.25Å; F346-A356 HydrophobicContact CE2-CB 4.41Å
357T98.1Very high94.9Very high6 Ų641.6 Ų41.64%0.03723%0.23CC..EExtended strand (participates in β ladder)trans-92.9126.5173.9-570000109.6A285 S286 D359A285-T357 CarbonylContact C-O 3.48Å; A285-T357 WeakPolarHBondContact CA-O 3.2Å; A285-T357 WeakPolarHBondContact CB-O 3.18Å; S286-T357 PolarHBondContact N-O 2.88Å; S286-T357 PolarHBondContact O-N 3.34Å; T357-D359 PolarHBondContact O-N 2.95Å
358I98.1Very high94.4Very high0 Ų042.5 Ų42.50%024%0.235CC..EExtended strand (participates in β ladder)trans-70.5124.1178.2-59.1168.2000108.9L283 F308 I338 P340 G341 Q342 V344 V361L283-I358 HydrophobicContact CB-CG2 4.34Å; L283-I358 HydrophobicContact CD1-CG1 4.45Å; L283-I358 HydrophobicContact CD2-CD1 3.96Å; L283-I358 HydrophobicContact CD2-CG1 3.88Å; L283-I358 HydrophobicContact CD2-CG2 4.14Å; F308-I358 HydrophobicContact CB-CD1 4.4Å; F308-I358 HydrophobicContact CD1-CD1 4.45Å; I338-I358 HydrophobicContact CG2-CD1 4.22Å; I338-I358 HydrophobicContact CG2-CG2 3.8Å; P340-I358 CarbonylContact C-O 3.55Å; P340-I358 VanDerWaalsContact CA-O 3.28Å; P340-I358 WeakPolarHBondContact CA-O 3.18Å; G341-I358 PolarHBondContact N-O 2.92Å; Q342-I358 HydrophobicContact CB-CD1 4.29Å; Q342-I358 WeakPolarHBondContact O-CB 3.25Å; Q342-I358 WeakPolarHBondContact O-CG1 3.27Å; Q342-I358 PolarHBondContact O-N 3.02Å; V344-I358 HydrophobicContact CB-CD1 4.23Å; V344-I358 HydrophobicContact CB-CG1 3.96Å; V344-I358 HydrophobicContact CG1-CG1 4.15Å; I358-V361 HydrophobicContact CG2-CG2 4.37Å
359D96.5Very high93.5Very high23 Ų2342.8 Ų42.812%0.12324%0.24CC..EExtended strand (participates in β ladder)trans-101.9-56.1177.8-66.3-55.2000111.6R94 I284 S286 P340 T357R94-D359 IonicContact CZ-OD1 2.73Å; R94-D359 IonicContact NH1-OD1 3.34Å; R94-D359 PolarHBondContact NH1-OD1 3.45Å; I284-D359 PolarHBondContact O-N 2.9Å; S286-D359 WeakPolarHBondContact CB-OD2 3.37Å; S286-D359 PolarHBondContact N-OD2 2.84Å; S286-D359 VanDerWaalsContact OG-CG 3.3Å; S286-D359 PolarHBondContact OG-OD1 2.92Å; S286-D359 PolarHBondContact OG-OD2 3.14Å; P340-D359 VanDerWaalsContact CB-O 3.32Å; P340-D359 WeakPolarHBondContact CB-O 3.24Å; P340-D359 WeakPolarHBondContact CG-O 3.49Å; T357-D359 PolarHBondContact O-N 2.95Å
360D95.5Very high92.5Very high53 Ų5342.6 Ų42.628%0.28322%0.223SC..EExtended strand (participates in β ladder)trans-132.7150.8-170.2-67.7-60.1000111.5L283 I284 F362 Q367L283-D360 CarbonylContact C-O 3.53Å; L283-D360 VanDerWaalsContact CA-O 3.25Å; L283-D360 WeakPolarHBondContact CA-O 3.43Å; L283-D360 WeakPolarHBondContact CB-O 3.28Å; I284-D360 HydrophobicContact CB-CB 4.38Å; I284-D360 PolarHBondContact N-O 2.75Å; I284-D360 PolarHBondContact O-N 3.31Å; D360-F362 HydrophobicContact CB-CD2 4.43Å; D360-F362 HydrophobicContact CB-CE2 3.49Å; D360-F362 VanDerWaalsContact CB-CE2 3.49Å; D360-F362 HydrophobicContact CB-CZ 4Å; D360-Q367 PolarHBondContact OD1-NE2 3.24Å
361V96.8Very high91.3Very high5 Ų538.9 Ų38.93%0.0320%0.203CC..EExtended strand (participates in β ladder)trans-128.4138.1-173.5-1710000109.5S280 I338 P340 I358 L368 V371S280-V361 WeakPolarHBondContact OG-CG1 3.29Å; I338-V361 HydrophobicContact CB-CG1 3.87Å; I338-V361 HydrophobicContact CB-CG2 4.06Å; I338-V361 HydrophobicContact CG2-CB 4.38Å; I338-V361 HydrophobicContact CG2-CG1 3.99Å; I338-V361 HydrophobicContact CG2-CG2 3.48Å; I338-V361 VanDerWaalsContact CG2-CG2 3.48Å; P340-V361 HydrophobicContact CG-CG2 4.07Å; I358-V361 HydrophobicContact CG2-CG2 4.37Å; V361-L368 HydrophobicContact CG1-CD1 3.98Å; V361-L368 WeakPolarHBondContact O-CB 3.33Å; V361-L368 PolarHBondContact O-N 2.96Å; V361-V371 HydrophobicContact CB-CG1 4.26Å; V361-V371 HydrophobicContact CG2-CG1 3.91Å
362F96.9Very high89.6Confident29 Ų2940 Ų4013%0.12721%0.21CC..EExtended strand (participates in β ladder)trans-134.3151.8-171.4-62.5-104000112.6S280 D281 Y282 I284 D360 G366 Q367S280-F362 WeakPolarHBondContact CA-O 3.33Å; S280-F362 WeakPolarHBondContact CB-O 3.35Å; D281-F362 PolarHBondContact N-O 2.7Å; Y282-F362 HydrophobicContact CD1-CB 3.72Å; Y282-F362 HydrophobicContact CD2-CB 3.86Å; Y282-F362 AromaticContact CD2-CD2 3.84Å; Y282-F362 HydrophobicContact CD2-CD2 3.84Å; Y282-F362 AromaticContact CD2-CG 3.99Å; Y282-F362 HydrophobicContact CD2-CG 3.99Å; Y282-F362 HydrophobicContact CE1-CB 3.28Å; Y282-F362 HydrophobicContact CE1-CD1 4.47Å; Y282-F362 AromaticContact CE1-CG 4Å; Y282-F362 HydrophobicContact CE1-CG 4Å; Y282-F362 HydrophobicContact CE2-CB 3.43Å; Y282-F362 VanDerWaalsContact CE2-CB 3.43Å; Y282-F362 AromaticContact CE2-CD1 3.81Å; Y282-F362 HydrophobicContact CE2-CD1 3.81Å; Y282-F362 AromaticContact CE2-CD2 3.37Å; Y282-F362 HydrophobicContact CE2-CD2 3.37Å; Y282-F362 HydrophobicContact CE2-CE1 4.41Å; Y282-F362 HydrophobicContact CE2-CE2 4.06Å; Y282-F362 AromaticContact CE2-CG 3.26Å; Y282-F362 HydrophobicContact CE2-CG 3.26Å; Y282-F362 HydrophobicContact CG-CB 3.99Å; Y282-F362 AromaticContact CZ-CD1 3.55Å; Y282-F362 AromaticContact CZ-CD2 3.92Å; Y282-F362 AromaticContact CZ-CG 3.26Å; Y282-F362 PolarHBondContact N-O 3.38Å; Y282-F362 PolarHBondContact O-N 3.17Å; Y282-F362 WeakPolarHBondContact OH-CB 3.34Å; Y282-F362 WeakPolarHBondContact OH-CD1 3.2Å; Y282-F362 WeakPolarHBondContact OH-CG 3.48Å; I284-F362 HydrophobicContact CB-CE2 4.25Å; I284-F362 HydrophobicContact CG1-CD2 4.27Å; I284-F362 HydrophobicContact CG1-CE2 3.52Å; I284-F362 HydrophobicContact CG1-CZ 4.12Å; D360-F362 HydrophobicContact CB-CD2 4.43Å; D360-F362 HydrophobicContact CB-CE2 3.49Å; D360-F362 VanDerWaalsContact CB-CE2 3.49Å; D360-F362 HydrophobicContact CB-CZ 4Å; F362-G366 CarbonylContact C-O 3.47Å; F362-G366 VanDerWaalsContact CA-O 3.28Å; F362-G366 WeakPolarHBondContact CA-O 3.5Å; F362-Q367 HydrophobicContact CD1-CB 3.77Å; F362-Q367 HydrophobicContact CD1-CG 4.31Å; F362-Q367 HydrophobicContact CE1-CB 3.51Å; F362-Q367 HydrophobicContact CE1-CG 3.88Å; F362-Q367 HydrophobicContact CZ-CB 4.15Å; F362-Q367 HydrophobicContact CZ-CG 4Å
363K94.9Very high89.2Confident27 Ų2742 Ų4212%0.11722%0.221CC..EExtended strand (participates in β ladder)trans-144.9137174.4-166.8-173.6-168.5168.80110.3D276 Y279 D281 E365 G366 L368D276-K363 PolarHBondContact O-NZ 3.05Å; D276-K363 IonicContact OD1-NZ 2.67Å; D276-K363 PolarHBondContact OD1-NZ 3Å; D276-K363 IonicContact OD2-NZ 2.68Å; D276-K363 PolarHBondContact OD2-NZ 3.44Å; Y279-K363 WeakPolarHBondContact O-CD 3.18Å; D281-K363 VanDerWaalsContact OD2-CA 3.29Å; D281-K363 WeakPolarHBondContact OD2-CA 3.46Å; D281-K363 WeakPolarHBondContact OD2-CG 3.06Å; K363-E365 PolarHBondContact O-N 2.76Å; K363-G366 PolarHBondContact N-O 3.46Å; K363-G366 PolarHBondContact O-N 2.68Å; K363-L368 HydrophobicContact CB-CD1 4.41Å; K363-L368 HydrophobicContact CB-CD2 3.76Å; K363-L368 HydrophobicContact CB-CG 4.27Å
364N88.6Confident88.7Confident131 Ų13143 Ų4370%0.70123%0.226SC*.THydrogen-bonded Turntrans47.143.8-179.2-60.5-41.4000113D281 G366D281-N364 PolarHBondContact OD2-N 2.67Å; N364-G366 PolarHBondContact O-N 2.85Å; N364-G366 VanDerWaalsContact O-N 3.13Å
365E79.1Confident88.2Confident176 Ų17645.4 Ų45.482%0.82224%0.239SC*.THydrogen-bonded Turntrans68.4-3.3-176.5-50.5-179.2166.700116.3K363K363-E365 PolarHBondContact O-N 2.76Å
366G84.1Confident87.6Confident35 Ų3548.1 Ų48.136%0.36125%0.253SS..EExtended strand (participates in β ladder)trans-97.1139.2175.400000112.7F362 K363 N364F362-G366 CarbonylContact C-O 3.47Å; F362-G366 VanDerWaalsContact CA-O 3.28Å; F362-G366 WeakPolarHBondContact CA-O 3.5Å; K363-G366 PolarHBondContact N-O 3.46Å; K363-G366 PolarHBondContact O-N 2.68Å; N364-G366 PolarHBondContact O-N 2.85Å; N364-G366 VanDerWaalsContact O-N 3.13Å
367Q87.6Confident87Confident84 Ų8451.1 Ų51.139%0.39327%0.269SS..EExtended strand (participates in β ladder)trans-67.4133.7169.4-169.6176.1-1.100109.8D360 F362 N369D360-Q367 PolarHBondContact OD1-NE2 3.24Å; F362-Q367 HydrophobicContact CD1-CB 3.77Å; F362-Q367 HydrophobicContact CD1-CG 4.31Å; F362-Q367 HydrophobicContact CE1-CB 3.51Å; F362-Q367 HydrophobicContact CE1-CG 3.88Å; F362-Q367 HydrophobicContact CZ-CB 4.15Å; F362-Q367 HydrophobicContact CZ-CG 4Å; Q367-N369 WeakPolarHBondContact CG-OD1 3.41Å; Q367-N369 PolarHBondContact O-N 3.13Å; Q367-N369 PolarHBondContact OE1-OD1 2.78Å
368L86.3Confident86.2Confident20 Ų2054.1 Ų54.111%0.10528%0.284CS..  trans-77.676.7171.8-59-174.5000109V361 K363 Y370 V371V361-L368 HydrophobicContact CG1-CD1 3.98Å; V361-L368 WeakPolarHBondContact O-CB 3.33Å; V361-L368 PolarHBondContact O-N 2.96Å; K363-L368 HydrophobicContact CB-CD1 4.41Å; K363-L368 HydrophobicContact CB-CD2 3.76Å; K363-L368 HydrophobicContact CB-CG 4.27Å; L368-Y370 HydrophobicContact CB-CE1 4.13Å; L368-Y370 HydrophobicContact CB-CE2 4.49Å; L368-Y370 HydrophobicContact CD2-CE1 3.81Å; L368-Y370 WeakPolarHBondContact CD2-OH 3.36Å; L368-Y370 HydrophobicContact CG-CE1 4.47Å; L368-Y370 PolarHBondContact O-N 3.19Å; L368-V371 HydrophobicContact CB-CB 4.24Å; L368-V371 HydrophobicContact CB-CG2 3.61Å; L368-V371 HydrophobicContact CD1-CG2 4.24Å; L368-V371 VanDerWaalsContact O-CB 3.3Å; L368-V371 WeakPolarHBondContact O-CB 3.4Å; L368-V371 PolarHBondContact O-N 2.93Å
369N80.2Confident85.4Confident117 Ų11757.9 Ų57.963%0.62630%0.304SS*.THydrogen-bonded Turntrans-61.3-11.9-176.9-66.5-32.2000114.2Q367 V371Q367-N369 WeakPolarHBondContact CG-OD1 3.41Å; Q367-N369 PolarHBondContact O-N 3.13Å; Q367-N369 PolarHBondContact OE1-OD1 2.78Å; N369-V371 VanDerWaalsContact C-N 3.27Å
370Y75.6Confident84.5Confident47 Ų4760.6 Ų60.618%0.18432%0.318CS..THydrogen-bonded Turntrans-85.67.6172.361.2-98.5000112.7V258 G259 K260 A277 L368V258-Y370 WeakPolarHBondContact O-CD2 3.29Å; V258-Y370 VanDerWaalsContact O-CE2 3.31Å; V258-Y370 WeakPolarHBondContact O-CE2 3.49Å; G259-Y370 CarbonylContact C-O 3.57Å; G259-Y370 VanDerWaalsContact C-O 3.23Å; G259-Y370 WeakPolarHBondContact CA-O 3.41Å; K260-Y370 CarbonylContact C-O 3.59Å; K260-Y370 PolarHBondContact N-O 3.29Å; K260-Y370 CarbonylContact O-C 3.53Å; A277-Y370 WeakPolarHBondContact CA-OH 3.12Å; A277-Y370 HydrophobicContact CB-CE2 4.46Å; A277-Y370 PolarHBondContact O-OH 2.88Å; L368-Y370 HydrophobicContact CB-CE1 4.13Å; L368-Y370 HydrophobicContact CB-CE2 4.49Å; L368-Y370 HydrophobicContact CD2-CE1 3.81Å; L368-Y370 WeakPolarHBondContact CD2-OH 3.36Å; L368-Y370 HydrophobicContact CG-CE1 4.47Å; L368-Y370 PolarHBondContact O-N 3.19Å
371V70.9Confident83.6Confident9 Ų961.3 Ų61.36%0.05532%0.321CS..BIsolated β-bridgetrans-103.86.8-175178.70000112.8I240 P340 V361 L368 N369I240-V371 HydrophobicContact CD1-CG1 4.46Å; I240-V371 HydrophobicContact CG1-CG1 4.18Å; P340-V371 VanDerWaalsContact CD-CG1 3.49Å; P340-V371 HydrophobicContact CG-CG1 3.91Å; V361-V371 HydrophobicContact CB-CG1 4.26Å; V361-V371 HydrophobicContact CG2-CG1 3.91Å; L368-V371 HydrophobicContact CB-CB 4.24Å; L368-V371 HydrophobicContact CB-CG2 3.61Å; L368-V371 HydrophobicContact CD1-CG2 4.24Å; L368-V371 VanDerWaalsContact O-CB 3.3Å; L368-V371 WeakPolarHBondContact O-CB 3.4Å; L368-V371 PolarHBondContact O-N 2.93Å; N369-V371 VanDerWaalsContact C-N 3.27Å
372V62.2Low82.4Confident55 Ų5566.4 Ų66.433%0.33335%0.348SS..  trans-146.30170.3-173.60000111.9K92 R94 K260 P340K92-V372 WeakPolarHBondContact O-CG1 3.41Å; R94-V372 HydrophobicContact CG-CG1 4.28Å; K260-V372 CarbonylContact O-C 3.23Å; P340-V372 HydrophobicContact CB-CG2 3.7Å; P340-V372 HydrophobicContact CG-CG2 3.51Å

Retrieved 372 of 372 residues in 793 ms (Link to these results)

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