A0A077ZBJ3_TRITR Loading...

Protein phosphatase 2C

AlphaFold DB , UniProt , Accession A0A077ZBJ3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 424 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
1M32.2Very low62.7Low220 Ų22097.9 Ų97.9100%1.08453%0.531SS*.  0130.20-67.5-175.4-175.100106.8V3M1-V3 PolarHBondContact O-N 3.36Å; M1-V3 VanDerWaalsContact O-N 3.09Å
2A27.4Very low65.2Low105 Ų10589.8 Ų89.887%0.86849%0.487SS*.  trans-62.2115.1168.100000106.6D4A2-D4 VanDerWaalsContact C-N 3.29Å; A2-D4 PolarHBondContact O-N 2.72Å
3V34.4Very low67.4Low119 Ų11983.1 Ų83.172%0.72145%0.451SS*.  trans-65.998.8173.8-176.40000105.1M1 K5M1-V3 PolarHBondContact O-N 3.36Å; M1-V3 VanDerWaalsContact O-N 3.09Å; V3-K5 PolarHBondContact O-N 2.9Å; V3-K5 VanDerWaalsContact O-N 3.13Å
4D41.3Very low69.2Low107 Ų10787.3 Ų87.357%0.57246%0.457SS*.  trans-49.7124.8170.6-147.616.6000105.7A2 Q6 R15A2-D4 VanDerWaalsContact C-N 3.29Å; A2-D4 PolarHBondContact O-N 2.72Å; D4-Q6 PolarHBondContact O-N 3.04Å; D4-R15 IonicContact OD2-NH1 2.62Å; D4-R15 PolarHBondContact OD2-NH1 3.38Å; D4-R15 IonicContact OD2-NH2 2.82Å
5K50.6Low70.6Confident191 Ų19188.3 Ų88.383%0.8345%0.452SS*.  trans-51.2111-173.8-99.2-175.2176.9179.80107.7V3 L7V3-K5 PolarHBondContact O-N 2.9Å; V3-K5 VanDerWaalsContact O-N 3.13Å; K5-L7 PolarHBondContact O-N 2.83Å
6Q64.5Low71.9Confident125 Ų12582.9 Ų82.958%0.58442%0.424SS*.PPolyproline II helixtrans-60.4116.2-176.6-67.5-176.9-5.300108.6D4 K64D4-Q6 PolarHBondContact O-N 3.04Å; Q6-K64 HydrophobicContact CB-CD 4.21Å; Q6-K64 VanDerWaalsContact CB-CE 3.42Å; Q6-K64 HydrophobicContact CB-CG 3.82Å; Q6-K64 HydrophobicContact CG-CG 4.2Å; Q6-K64 VanDerWaalsContact OE1-CE 3.28Å
7L75.4Confident73.1Confident41 Ų4179.7 Ų79.722%0.21541%0.408CS..PPolyproline II helixtrans-71.2152.9-176.8-63.1173.2000109.8K5 T11 A12 R15K5-L7 PolarHBondContact O-N 2.83Å; L7-T11 HydrophobicContact CB-CG2 4.4Å; L7-T11 HydrophobicContact CD1-CG2 4.18Å; L7-T11 HydrophobicContact CD2-CG2 3.88Å; L7-T11 HydrophobicContact CG-CG2 4.37Å; L7-A12 HydrophobicContact CB-CB 3.9Å; L7-A12 HydrophobicContact CD1-CB 4.42Å; L7-R15 HydrophobicContact CD1-CB 4.42Å
8D88.9Confident73.9Confident87 Ų8780.8 Ų80.847%0.46542%0.415SS..PPolyproline II helixtrans-64.1156.6162.870.887000109.7S10 T11 A12D8-S10 VanDerWaalsContact C-N 3.26Å; D8-S10 PolarHBondContact O-N 2.8Å; D8-S10 WeakPolarHBondContact OD1-CA 3.24Å; D8-S10 WeakPolarHBondContact OD1-CB 3.5Å; D8-S10 PolarHBondContact OD1-N 2.65Å; D8-T11 PolarHBondContact O-N 3.27Å; D8-T11 VanDerWaalsContact O-N 3.15Å; D8-T11 PolarHBondContact OD1-N 3.18Å; D8-T11 PolarHBondContact OD1-OG1 3.3Å; D8-T11 VanDerWaalsContact OD2-CB 3.26Å; D8-T11 WeakPolarHBondContact OD2-CB 3.4Å; D8-T11 PolarHBondContact OD2-OG1 3.45Å; D8-A12 WeakPolarHBondContact O-CB 3.49Å; D8-A12 PolarHBondContact O-N 2.93Å
9F91Very high74.1Confident9 Ų978.5 Ų78.54%0.03941%0.41CS..Hα-helixtrans-53.1-41.6-175.3178.3-98.5000113.5A12 L13 D67 W70 L71 L127 H131F9-A12 PolarHBondContact O-N 3.23Å; F9-L13 HydrophobicContact CE1-CD2 3.98Å; F9-L13 HydrophobicContact CZ-CD2 4.26Å; F9-L13 VanDerWaalsContact O-CB 3.22Å; F9-L13 WeakPolarHBondContact O-CB 3.39Å; F9-L13 PolarHBondContact O-N 3.22Å; F9-D67 HydrophobicContact CD2-CB 4Å; F9-W70 HydrophobicContact CE2-CE3 4.18Å; F9-W70 HydrophobicContact CE2-CZ3 4.05Å; F9-W70 HydrophobicContact CZ-CE3 4.33Å; F9-W70 AromaticContact CZ-CZ3 3.73Å; F9-W70 HydrophobicContact CZ-CZ3 3.73Å; F9-L71 HydrophobicContact CE2-CD2 4.29Å; F9-L71 HydrophobicContact CZ-CD2 4.4Å; F9-L127 HydrophobicContact CE1-CB 4.38Å; F9-L127 HydrophobicContact CZ-CB 4.45Å; F9-H131 WeakPolarHBondContact CB-CE1 3.4Å; F9-H131 WeakPolarHBondContact CB-ND1 3.29Å; F9-H131 HydrophobicContact CD1-CB 3.66Å; F9-H131 AromaticContact CD1-CG 3.6Å; F9-H131 AromaticContact CD1-ND1 3.75Å; F9-H131 HydrophobicContact CD2-CB 4.44Å; F9-H131 AromaticContact CD2-CD2 3.57Å; F9-H131 AromaticContact CD2-CE1 4Å; F9-H131 AromaticContact CD2-CG 3.76Å; F9-H131 AromaticContact CD2-NE2 3.72Å; F9-H131 HydrophobicContact CE1-CB 3.66Å; F9-H131 AromaticContact CE1-CG 3.99Å; F9-H131 HydrophobicContact CE2-CB 4.43Å; F9-H131 AromaticContact CE2-CD2 3.88Å; F9-H131 HydrophobicContact CG-CB 4.08Å; F9-H131 AromaticContact CG-CD2 3.78Å; F9-H131 AromaticContact CG-CE1 3.68Å; F9-H131 AromaticContact CG-CG 3.48Å; F9-H131 VanDerWaalsContact CG-CG 3.48Å; F9-H131 AromaticContact CG-ND1 3.45Å; F9-H131 WeakPolarHBondContact CG-ND1 3.34Å; F9-H131 AromaticContact CG-NE2 3.88Å; F9-H131 HydrophobicContact CZ-CB 4.07Å
10S92.2Very high73.5Confident23 Ų2375.6 Ų75.616%0.16140%0.395CS..Hα-helixtrans-69.1-41.5-177-166.30000111.5D8 R14D8-S10 VanDerWaalsContact C-N 3.26Å; D8-S10 PolarHBondContact O-N 2.8Å; D8-S10 WeakPolarHBondContact OD1-CA 3.24Å; D8-S10 WeakPolarHBondContact OD1-CB 3.5Å; D8-S10 PolarHBondContact OD1-N 2.65Å; S10-R14 WeakPolarHBondContact O-CG 3.24Å; S10-R14 PolarHBondContact O-N 3.49Å; S10-R14 PolarHBondContact O-NE 2.9Å; S10-R14 PolarHBondContact OG-NH2 2.97Å
11T91.8Very high72.7Confident50 Ų5075.9 Ų75.931%0.30741%0.408SS..Hα-helixtrans-68.1-41.2176.6-56.70000111.4L7 D8 R14 R15L7-T11 HydrophobicContact CB-CG2 4.4Å; L7-T11 HydrophobicContact CD1-CG2 4.18Å; L7-T11 HydrophobicContact CD2-CG2 3.88Å; L7-T11 HydrophobicContact CG-CG2 4.37Å; D8-T11 PolarHBondContact O-N 3.27Å; D8-T11 VanDerWaalsContact O-N 3.15Å; D8-T11 PolarHBondContact OD1-N 3.18Å; D8-T11 PolarHBondContact OD1-OG1 3.3Å; D8-T11 VanDerWaalsContact OD2-CB 3.26Å; D8-T11 WeakPolarHBondContact OD2-CB 3.4Å; D8-T11 PolarHBondContact OD2-OG1 3.45Å; T11-R14 PolarHBondContact O-N 3.4Å; T11-R15 WeakPolarHBondContact O-CB 3.21Å; T11-R15 PolarHBondContact O-N 2.93Å
12A92.2Very high73.4Confident0 Ų073.6 Ų73.60%040%0.395CS..Hα-helixtrans-65.1-40.4176.200000112.4L7 D8 F9 R15 F16 M63L7-A12 HydrophobicContact CB-CB 3.9Å; L7-A12 HydrophobicContact CD1-CB 4.42Å; D8-A12 WeakPolarHBondContact O-CB 3.49Å; D8-A12 PolarHBondContact O-N 2.93Å; F9-A12 PolarHBondContact O-N 3.23Å; A12-R15 PolarHBondContact O-N 3.17Å; A12-F16 PolarHBondContact O-N 3.04Å; A12-M63 HydrophobicContact CB-CB 4.29Å; A12-M63 HydrophobicContact CB-CE 4.47Å; A12-M63 HydrophobicContact CB-CG 3.44Å; A12-M63 VanDerWaalsContact CB-CG 3.44Å
13L94.1Very high74.2Confident3 Ų374.5 Ų74.52%0.01638%0.381CS..Hα-helixtrans-64.1-42.9176-178.761.3000111.7F9 F16 L17 M63 L71 C120 L127F9-L13 HydrophobicContact CE1-CD2 3.98Å; F9-L13 HydrophobicContact CZ-CD2 4.26Å; F9-L13 VanDerWaalsContact O-CB 3.22Å; F9-L13 WeakPolarHBondContact O-CB 3.39Å; F9-L13 PolarHBondContact O-N 3.22Å; L13-F16 HydrophobicContact CD1-CD1 4.45Å; L13-F16 PolarHBondContact O-N 2.94Å; L13-L17 HydrophobicContact CG-CD1 4.38Å; L13-L17 VanDerWaalsContact O-CG 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.39Å; L13-L17 PolarHBondContact O-N 2.7Å; L13-M63 VanDerWaalsContact CA-CE 3.48Å; L13-M63 HydrophobicContact CB-CE 3.99Å; L13-M63 HydrophobicContact CD1-CE 3.96Å; L13-L71 HydrophobicContact CD1-CD2 4.19Å; L13-C120 HydrophobicContact CD1-CB 3.97Å; L13-L127 HydrophobicContact CD2-CB 4.25Å
14R92.3Very high74.3Confident142 Ų14272.2 Ų72.254%0.53637%0.369SS..Hα-helixtrans-61.8-48.1173.7-76179.8-118.8150.6-0.5111.4S10 T11 F16 L17 D18S10-R14 WeakPolarHBondContact O-CG 3.24Å; S10-R14 PolarHBondContact O-N 3.49Å; S10-R14 PolarHBondContact O-NE 2.9Å; S10-R14 PolarHBondContact OG-NH2 2.97Å; T11-R14 PolarHBondContact O-N 3.4Å; R14-F16 VanDerWaalsContact C-N 3.29Å; R14-F16 PolarHBondContact O-N 3.21Å; R14-L17 PolarHBondContact O-N 3.05Å; R14-D18 WeakPolarHBondContact O-CB 3.39Å; R14-D18 VanDerWaalsContact O-CG 3.23Å; R14-D18 PolarHBondContact O-N 3.1Å
15R90.5Very high74.2Confident103 Ų10368.8 Ų68.839%0.38935%0.351SS..Hα-helixtrans-55.5-43.4176-177.1175.5176.6-173-0.6112.1D4 L7 T11 A12 D18 A19 N61D4-R15 IonicContact OD2-NH1 2.62Å; D4-R15 PolarHBondContact OD2-NH1 3.38Å; D4-R15 IonicContact OD2-NH2 2.82Å; L7-R15 HydrophobicContact CD1-CB 4.42Å; T11-R15 WeakPolarHBondContact O-CB 3.21Å; T11-R15 PolarHBondContact O-N 2.93Å; A12-R15 PolarHBondContact O-N 3.17Å; R15-D18 PolarHBondContact O-N 3.1Å; R15-A19 VanDerWaalsContact O-CB 3.27Å; R15-A19 WeakPolarHBondContact O-CB 3.42Å; R15-A19 PolarHBondContact O-N 3.24Å; R15-N61 WeakPolarHBondContact CD-O 3.47Å
16F91.1Very high73.7Confident1 Ų167 Ų670%0.00434%0.339CS..Hα-helixtrans-61.1-44.4174.3168.7-115.2000112.3A12 L13 R14 D18 V20 V57 L58 N61 M63 L116 F117 C120A12-F16 PolarHBondContact O-N 3.04Å; L13-F16 HydrophobicContact CD1-CD1 4.45Å; L13-F16 PolarHBondContact O-N 2.94Å; R14-F16 VanDerWaalsContact C-N 3.29Å; R14-F16 PolarHBondContact O-N 3.21Å; F16-D18 VanDerWaalsContact C-N 3.32Å; F16-D18 PolarHBondContact O-N 2.97Å; F16-V20 HydrophobicContact CD2-CG2 4.3Å; F16-V20 HydrophobicContact CE2-CG2 3.96Å; F16-V20 VanDerWaalsContact O-CG2 3.32Å; F16-V20 WeakPolarHBondContact O-CG2 3.36Å; F16-V57 HydrophobicContact CD2-CG1 4.16Å; F16-V57 HydrophobicContact CE2-CG1 3.55Å; F16-V57 HydrophobicContact CZ-CG1 4.47Å; F16-L58 HydrophobicContact CD1-CD2 4.13Å; F16-L58 HydrophobicContact CD2-CD2 4.4Å; F16-L58 HydrophobicContact CE1-CD2 4.24Å; F16-L58 HydrophobicContact CG-CD2 4.2Å; F16-L58 HydrophobicContact CZ-CD2 4.45Å; F16-N61 HydrophobicContact CB-CB 3.96Å; F16-N61 HydrophobicContact CD2-CB 4.27Å; F16-M63 HydrophobicContact CB-CE 4.25Å; F16-L116 HydrophobicContact CE1-CG 4.3Å; F16-L116 HydrophobicContact CZ-CD2 4.03Å; F16-L116 HydrophobicContact CZ-CG 4.01Å; F16-F117 HydrophobicContact CE1-CD2 4.37Å; F16-F117 HydrophobicContact CZ-CB 4.33Å; F16-F117 HydrophobicContact CZ-CD2 4.3Å; F16-C120 HydrophobicContact CD1-CB 4.25Å; F16-C120 HydrophobicContact CE1-CB 3.88Å
17L92.1Very high71.9Confident29 Ų2967.3 Ų67.315%0.15235%0.346CS..Hα-helixtrans-66.8-33.7178.8-68.6173.4000112.8L13 R14 F117 C120 K121L13-L17 HydrophobicContact CG-CD1 4.38Å; L13-L17 VanDerWaalsContact O-CG 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.39Å; L13-L17 PolarHBondContact O-N 2.7Å; R14-L17 PolarHBondContact O-N 3.05Å; L17-F117 HydrophobicContact CD2-CD2 4.08Å; L17-F117 HydrophobicContact CD2-CE2 3.86Å; L17-C120 HydrophobicContact CD2-CB 3.83Å; L17-K121 HydrophobicContact CD2-CB 3.98Å
18D87.7Confident69.8Low100 Ų10068.4 Ų68.454%0.53535%0.353SS..Hα-helixtrans-78.6-42.2-179.9-64.3-25000112R14 R15 F16 V20 A21 E22R14-D18 WeakPolarHBondContact O-CB 3.39Å; R14-D18 VanDerWaalsContact O-CG 3.23Å; R14-D18 PolarHBondContact O-N 3.1Å; R15-D18 PolarHBondContact O-N 3.1Å; F16-D18 VanDerWaalsContact C-N 3.32Å; F16-D18 PolarHBondContact O-N 2.97Å; D18-V20 VanDerWaalsContact C-N 3.25Å; D18-V20 PolarHBondContact O-N 3.27Å; D18-A21 WeakPolarHBondContact O-CA 3.42Å; D18-A21 VanDerWaalsContact O-CB 3.32Å; D18-A21 WeakPolarHBondContact O-CB 3.36Å; D18-A21 PolarHBondContact O-N 3.28Å; D18-E22 PolarHBondContact O-N 3.42Å
19A77.3Confident66.7Low37 Ų3771 Ų7131%0.30636%0.363SS..Hα-helixtrans-59.7-35.418000000112.8R15 A21 E22 E23 N61R15-A19 VanDerWaalsContact O-CB 3.27Å; R15-A19 WeakPolarHBondContact O-CB 3.42Å; R15-A19 PolarHBondContact O-N 3.24Å; A19-A21 VanDerWaalsContact C-N 3.28Å; A19-A21 PolarHBondContact O-N 3.13Å; A19-E22 PolarHBondContact O-N 3.23Å; A19-E23 PolarHBondContact O-N 3Å; A19-N61 WeakPolarHBondContact CB-OD1 3.14Å
20V62.8Low63.8Low20 Ų2074.5 Ų74.512%0.12139%0.387CS..Hα-helixtrans-74.1-20176.81780000112.3F16 D18 L25 F117F16-V20 HydrophobicContact CD2-CG2 4.3Å; F16-V20 HydrophobicContact CE2-CG2 3.96Å; F16-V20 VanDerWaalsContact O-CG2 3.32Å; F16-V20 WeakPolarHBondContact O-CG2 3.36Å; D18-V20 VanDerWaalsContact C-N 3.25Å; D18-V20 PolarHBondContact O-N 3.27Å; V20-L25 HydrophobicContact CB-CD1 4.17Å; V20-L25 HydrophobicContact CB-CG 4.38Å; V20-L25 HydrophobicContact CG1-CD1 3.5Å; V20-L25 HydrophobicContact CG1-CG 3.91Å; V20-L25 HydrophobicContact CG2-CD1 3.52Å; V20-L25 HydrophobicContact CG2-CD2 4.19Å; V20-L25 HydrophobicContact CG2-CG 3.78Å; V20-F117 HydrophobicContact CB-CD2 3.65Å; V20-F117 HydrophobicContact CB-CE2 3.43Å; V20-F117 VanDerWaalsContact CB-CE2 3.43Å; V20-F117 HydrophobicContact CB-CZ 4.18Å; V20-F117 HydrophobicContact CG1-CD1 4.31Å; V20-F117 HydrophobicContact CG1-CD2 3.49Å; V20-F117 VanDerWaalsContact CG1-CD2 3.49Å; V20-F117 HydrophobicContact CG1-CE1 4.28Å; V20-F117 HydrophobicContact CG1-CE2 3.46Å; V20-F117 VanDerWaalsContact CG1-CE2 3.46Å; V20-F117 HydrophobicContact CG1-CG 3.92Å; V20-F117 HydrophobicContact CG1-CZ 3.86Å; V20-F117 HydrophobicContact CG2-CD2 3.8Å; V20-F117 HydrophobicContact CG2-CE2 4.05Å
21A56Low61.1Low81 Ų8177.2 Ų77.267%0.66940%0.402SS*.Hα-helixtrans-79.7-28.4174.500000112.6D18 A19D18-A21 WeakPolarHBondContact O-CA 3.42Å; D18-A21 VanDerWaalsContact O-CB 3.32Å; D18-A21 WeakPolarHBondContact O-CB 3.36Å; D18-A21 PolarHBondContact O-N 3.28Å; A19-A21 VanDerWaalsContact C-N 3.28Å; A19-A21 PolarHBondContact O-N 3.13Å
22E47.3Very low58Low172 Ų17283.1 Ų83.180%0.80442%0.424SS*.Hα-helixtrans-87.1-35.4-179.3-66.1-170.1166.100113.3D18 A19D18-E22 PolarHBondContact O-N 3.42Å; A19-E22 PolarHBondContact O-N 3.23Å
23E43.6Very low55.6Low124 Ų12486.8 Ų86.858%0.57944%0.437SS*.SBendtrans-128.2114.8168.7-76-175.7166.200109A19 L25A19-E23 PolarHBondContact O-N 3Å; E23-L25 PolarHBondContact O-N 3.43Å
24P37.3Very low52.8Low72 Ų7298 Ų9847%0.46848%0.479SS..  trans-54.9123.9170.6-18.428.8000107.7Y26 N27P24-Y26 HydrophobicContact CB-CD2 3.91Å; P24-Y26 PolarHBondContact O-N 3.45Å; P24-N27 PolarHBondContact O-N 2.85Å
25L40.4Very low50.3Low35 Ų3593.5 Ų93.518%0.18347%0.473CS..G310 helixtrans-44.9-18.3-179.5-80.3156.3000114.7V20 E23 N27 V57 H113V20-L25 HydrophobicContact CB-CD1 4.17Å; V20-L25 HydrophobicContact CB-CG 4.38Å; V20-L25 HydrophobicContact CG1-CD1 3.5Å; V20-L25 HydrophobicContact CG1-CG 3.91Å; V20-L25 HydrophobicContact CG2-CD1 3.52Å; V20-L25 HydrophobicContact CG2-CD2 4.19Å; V20-L25 HydrophobicContact CG2-CG 3.78Å; E23-L25 PolarHBondContact O-N 3.43Å; L25-N27 PolarHBondContact O-N 2.91Å; L25-V57 HydrophobicContact CD2-CG1 4.44Å; L25-H113 HydrophobicContact CD1-CB 4.25Å
26Y38.4Very low47.8Very low152 Ų15292.5 Ų92.560%0.59648%0.481SS*.G310 helixtrans-65.6-15.5173.7-52.5-71.2000115.1P24P24-Y26 HydrophobicContact CB-CD2 3.91Å; P24-Y26 PolarHBondContact O-N 3.45Å
27N26.8Very low45.4Very low133 Ų13398.2 Ų98.271%0.71152%0.521SS*.G310 helixtrans-108.11.5179.1-80-13.9000114.5P24 L25 E29P24-N27 PolarHBondContact O-N 2.85Å; L25-N27 PolarHBondContact O-N 2.91Å; N27-E29 PolarHBondContact O-N 3.22Å
28V31.9Very low43.6Very low63 Ų63106.3 Ų106.338%0.38255%0.549SS..SBendtrans-76.3112.7177.1-175.30000107.4
29E24.6Very low43.2Very low141 Ų141102.6 Ų102.666%0.65953%0.529SS*.  trans-45.2122.1171-84.2-165.917100107.4N27 V31 K32N27-E29 PolarHBondContact O-N 3.22Å; E29-V31 PolarHBondContact O-N 3.06Å; E29-K32 IonicContact OE2-NZ 3.93Å
30P28.5Very low43.7Very low84 Ų84104.1 Ų104.155%0.54553%0.53SS..  trans-51.9137.8175.519.4-29.2000106.5K32P30-K32 PolarHBondContact O-N 3.42Å
31V35.3Very low45.2Very low79 Ų79103.2 Ų103.248%0.47953%0.525SS..  trans-44.3123.1165.11520000104.5E29 R33E29-V31 PolarHBondContact O-N 3.06Å; V31-R33 PolarHBondContact O-N 3.28Å
32K28.5Very low46.9Very low175 Ų175100 Ų10076%0.76150%0.497SS*.  trans-64.162.7-178.9-67.4177.1-178.2170.10109.3E29 P30 R34E29-K32 IonicContact OE2-NZ 3.93Å; P30-K32 PolarHBondContact O-N 3.42Å; K32-R34 PolarHBondContact O-N 3.25Å
33R40.3Very low49.1Very low77 Ų7795.7 Ų95.729%0.29148%0.476SS..  -51.2127129.3-76.6-166176.2-178.92.1102.7V31 A35 C197V31-R33 PolarHBondContact O-N 3.28Å; R33-A35 HydrophobicContact CB-CB 4.18Å; R33-A35 PolarHBondContact O-N 3.48Å; R33-C197 PolarHBondContact NH2-SG 2.93Å
34R35.5Very low51.4Low237 Ų23792.6 Ų92.689%0.89446%0.461SS*.  trans-63.568144.7-147.3179.7-172.4-1771.5104.8K32 C36K32-R34 PolarHBondContact O-N 3.25Å; R34-C36 PolarHBondContact O-N 3.29Å
35A39.2Very low54.1Low49 Ų4989.4 Ų89.441%0.40544%0.44SS..  trans-58.6101.615700000100R33 S37R33-A35 HydrophobicContact CB-CB 4.18Å; R33-A35 PolarHBondContact O-N 3.48Å; A35-S37 PolarHBondContact O-N 2.89Å
36C38.7Very low56.7Low82 Ų8288.1 Ų88.155%0.55444%0.435SS*.  trans-43.8125.3157.7-169.40000103.1R34 R38 D39R34-C36 PolarHBondContact O-N 3.29Å; C36-R38 PolarHBondContact O-N 2.88Å; C36-D39 PolarHBondContact O-N 2.69Å
37S41.3Very low59.4Low120 Ų12084.1 Ų84.184%0.83942%0.418SS*.THydrogen-bonded Turntrans-6521.5-176.859.70000112.9A35A35-S37 PolarHBondContact O-N 2.89Å
38R53.4Low62.6Low200 Ų20077.9 Ų77.976%0.75539%0.386SS*.THydrogen-bonded Turntrans-127.35178.5-58.4-175.6175.5-176.7-1.9111.3C36 Q40C36-R38 PolarHBondContact O-N 2.88Å; R38-Q40 PolarHBondContact O-N 3.32Å
39D79.4Confident65.6Low21 Ų2175 Ų7511%0.11237%0.369CS..  trans-66.2126.1175.2-16421.7000108.4C36 S105 K235 Q239C36-D39 PolarHBondContact O-N 2.69Å; D39-S105 WeakPolarHBondContact O-CB 3.32Å; D39-S105 PolarHBondContact O-N 3.41Å; D39-K235 IonicContact OD1-NZ 3.87Å; D39-Q239 PolarHBondContact OD1-NE2 3.46Å
40Q88.7Confident69Low69 Ų6968.3 Ų68.332%0.32234%0.337SS..EExtended strand (participates in β ladder)trans-133.6124.5-162.7-96.4-174.8-13.900106.9R38 F102 V103 R238R38-Q40 PolarHBondContact O-N 3.32Å; Q40-F102 HydrophobicContact CB-CB 3.79Å; Q40-F102 HydrophobicContact CB-CD1 3.89Å; Q40-F102 HydrophobicContact CB-CG 4.08Å; Q40-F102 HydrophobicContact CG-CB 3.94Å; Q40-V103 WeakPolarHBondContact CA-O 3.48Å; Q40-R238 PolarHBondContact O-NH1 3.46Å; Q40-R238 PolarHBondContact O-NH2 2.84Å
41I93.2Very high72.2Confident2 Ų264.9 Ų64.91%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-101.9124.5-172.5-60160.4000108D45 E49 F88 F102 V103 F108I41-D45 HydrophobicContact CG2-CB 4.18Å; I41-E49 HydrophobicContact CD1-CB 4.42Å; I41-E49 HydrophobicContact CD1-CG 4.27Å; I41-E49 HydrophobicContact CG1-CG 4.15Å; I41-E49 HydrophobicContact CG2-CB 4.17Å; I41-E49 HydrophobicContact CG2-CG 3.76Å; I41-F88 WeakPolarHBondContact O-CE1 3.47Å; I41-F88 WeakPolarHBondContact O-CZ 3.23Å; I41-F102 WeakPolarHBondContact O-CA 3.43Å; I41-V103 PolarHBondContact N-O 2.87Å; I41-V103 PolarHBondContact O-N 3.38Å; I41-F108 HydrophobicContact CB-CD2 4.19Å; I41-F108 HydrophobicContact CB-CE2 4.45Å; I41-F108 HydrophobicContact CD1-CB 3.61Å; I41-F108 HydrophobicContact CD1-CD1 3.62Å; I41-F108 HydrophobicContact CD1-CD2 3.71Å; I41-F108 HydrophobicContact CD1-CE1 4.18Å; I41-F108 HydrophobicContact CD1-CE2 4.25Å; I41-F108 HydrophobicContact CD1-CG 3.36Å; I41-F108 HydrophobicContact CD1-CZ 4.47Å; I41-F108 HydrophobicContact CG2-CD2 4.02Å; I41-F108 HydrophobicContact CG2-CE2 3.78Å; I41-F108 HydrophobicContact CG2-CZ 4.32Å
42C93Very high75Confident13 Ų1362.4 Ų62.49%0.08830%0.297CS..EExtended strand (participates in β ladder)trans-82.7166.8172.761.40000110.8E44 D45 A46 F102C42-E44 VanDerWaalsContact C-N 3.3Å; C42-E44 PolarHBondContact O-N 2.6Å; C42-D45 PolarHBondContact O-N 3.33Å; C42-D45 PolarHBondContact SG-OD2 2.92Å; C42-A46 PolarHBondContact O-N 3.38Å; C42-F102 HydrophobicContact CB-CD1 3.98Å; C42-F102 HydrophobicContact CB-CE1 3.61Å; C42-F102 HydrophobicContact CB-CZ 4.22Å
43F92.6Very high78.2Confident81 Ų8154.4 Ų54.436%0.35526%0.262SS..G310 helixtrans-60.2-39.2178.9-173.9-108.1000112.7D45 A46 A85 F88F43-D45 VanDerWaalsContact C-N 3.26Å; F43-D45 PolarHBondContact O-N 3.14Å; F43-A46 VanDerWaalsContact O-CB 3.25Å; F43-A46 WeakPolarHBondContact O-CB 3.42Å; F43-A46 PolarHBondContact O-N 2.95Å; F43-A46 VanDerWaalsContact O-N 3.13Å; F43-A85 HydrophobicContact CE2-CB 4.32Å; F43-F88 HydrophobicContact CB-CD1 4.08Å; F43-F88 HydrophobicContact CB-CE1 4.11Å; F43-F88 HydrophobicContact CB-CG 4.36Å; F43-F88 HydrophobicContact CB-CZ 4.43Å; F43-F88 HydrophobicContact CD2-CB 4.1Å; F43-F88 HydrophobicContact CD2-CD1 4.36Å; F43-F88 AromaticContact CD2-CD2 3.67Å; F43-F88 HydrophobicContact CD2-CD2 3.67Å; F43-F88 HydrophobicContact CD2-CE2 4.18Å; F43-F88 AromaticContact CD2-CG 3.79Å; F43-F88 HydrophobicContact CD2-CG 3.79Å; F43-F88 HydrophobicContact CE2-CD2 4.41Å
44E92.4Very high80.8Confident60 Ų6050.8 Ų50.828%0.2825%0.249SC..G310 helixtrans-60.8-33178.9-63-172.8149.400113.4C42 R231C42-E44 VanDerWaalsContact C-N 3.3Å; C42-E44 PolarHBondContact O-N 2.6Å; E44-R231 PolarHBondContact O-NH1 3.1Å; E44-R231 IonicContact OE2-NE 3.21Å; E44-R231 PolarHBondContact OE2-NE 3.19Å
45D94.5Very high83.6Confident4 Ų440.5 Ų40.52%0.02121%0.21CC..G310 helixtrans-87-13-179.9-70.6-15.2000112.3I41 C42 F43 R47 G48 E49 Y198 H202I41-D45 HydrophobicContact CG2-CB 4.18Å; C42-D45 PolarHBondContact O-N 3.33Å; C42-D45 PolarHBondContact SG-OD2 2.92Å; F43-D45 VanDerWaalsContact C-N 3.26Å; F43-D45 PolarHBondContact O-N 3.14Å; D45-R47 VanDerWaalsContact C-N 3.3Å; D45-R47 PolarHBondContact O-N 3.11Å; D45-G48 PolarHBondContact O-N 3.29Å; D45-E49 HydrophobicContact CB-CG 4.18Å; D45-E49 WeakPolarHBondContact O-CB 3.49Å; D45-E49 WeakPolarHBondContact O-CG 3.45Å; D45-E49 PolarHBondContact O-N 3.38Å; D45-Y198 PolarHBondContact OD1-OH 2.98Å; D45-H202 PolarHBondContact O-CE1 2.96Å; D45-H202 VanDerWaalsContact O-CE1 3.25Å
46A94.8Very high86.1Confident8 Ų840.6 Ų40.67%0.06620%0.2CC..Hα-helixtrans-58.1-39.5-16800000113.1C42 F43 A50 F88 F108C42-A46 PolarHBondContact O-N 3.38Å; F43-A46 VanDerWaalsContact O-CB 3.25Å; F43-A46 WeakPolarHBondContact O-CB 3.42Å; F43-A46 PolarHBondContact O-N 2.95Å; F43-A46 VanDerWaalsContact O-N 3.13Å; A46-A50 WeakPolarHBondContact O-CB 3.48Å; A46-A50 PolarHBondContact O-N 3.31Å; A46-F88 HydrophobicContact CB-CE2 3.84Å; A46-F88 HydrophobicContact CB-CZ 4.31Å; A46-F108 HydrophobicContact CB-CE2 3.92Å; A46-F108 HydrophobicContact CB-CZ 4.24Å; A46-F108 WeakPolarHBondContact O-CZ 3.41Å
47R94Very high88.6Confident68 Ų6837 Ų3726%0.25718%0.176SC..Hα-helixtrans-62.4-52.3-179.2-176.6178.6-176-160.89.4112.3D45 A50 I51 M170 S205 N208D45-R47 VanDerWaalsContact C-N 3.3Å; D45-R47 PolarHBondContact O-N 3.11Å; R47-A50 PolarHBondContact O-N 3.04Å; R47-I51 HydrophobicContact CG-CD1 4.1Å; R47-I51 WeakPolarHBondContact O-CG1 3.48Å; R47-I51 PolarHBondContact O-N 2.98Å; R47-I51 VanDerWaalsContact O-N 3.13Å; R47-M170 PolarHBondContact NH2-O 3.09Å; R47-S205 WeakPolarHBondContact CD-OG 3.16Å; R47-N208 PolarHBondContact NH1-OD1 3.25Å; R47-N208 PolarHBondContact NH2-OD1 2.84Å
48G94.2Very high91.1Very high3 Ų331.3 Ų31.33%0.03114%0.136CC..Hα-helixtrans-64.5-44.3179.300000111.5D45 A50 I51 E52D45-G48 PolarHBondContact O-N 3.29Å; G48-A50 VanDerWaalsContact C-N 3.31Å; G48-A50 PolarHBondContact O-N 2.87Å; G48-I51 PolarHBondContact O-N 2.91Å; G48-E52 VanDerWaalsContact O-CB 3.23Å; G48-E52 WeakPolarHBondContact O-CB 3.32Å; G48-E52 PolarHBondContact O-N 3.18Å
49E95.8Very high92.8Very high3 Ų324.5 Ų24.51%0.01411%0.114CC..Hα-helixtrans-61.4-36.2177.8-74.8-54150.500112.8I41 D45 R53 F108 H202I41-E49 HydrophobicContact CD1-CB 4.42Å; I41-E49 HydrophobicContact CD1-CG 4.27Å; I41-E49 HydrophobicContact CG1-CG 4.15Å; I41-E49 HydrophobicContact CG2-CB 4.17Å; I41-E49 HydrophobicContact CG2-CG 3.76Å; D45-E49 HydrophobicContact CB-CG 4.18Å; D45-E49 WeakPolarHBondContact O-CB 3.49Å; D45-E49 WeakPolarHBondContact O-CG 3.45Å; D45-E49 PolarHBondContact O-N 3.38Å; E49-R53 VanDerWaalsContact CB-NH1 3.26Å; E49-R53 WeakPolarHBondContact O-CB 3.46Å; E49-R53 WeakPolarHBondContact O-CG 3.24Å; E49-R53 PolarHBondContact O-N 3.35Å; E49-R53 VanDerWaalsContact O-N 3.16Å; E49-R53 PolarHBondContact O-NH1 2.92Å; E49-R53 IonicContact OE2-CZ 2.8Å; E49-R53 IonicContact OE2-NH1 3.34Å; E49-R53 PolarHBondContact OE2-NH1 3.34Å; E49-R53 IonicContact OE2-NH2 3.64Å; E49-R53 PolarHBondContact OE2-NH2 3.13Å; E49-R53 VanDerWaalsContact OE2-NH2 3.14Å; E49-F108 HydrophobicContact CB-CE1 3.79Å; E49-F108 HydrophobicContact CB-CZ 3.79Å; E49-H202 IonicContact OE1-CE1 3.83Å; E49-H202 IonicContact OE1-NE2 3.19Å; E49-H202 PolarHBondContact OE1-NE2 2.94Å
50A96.4Very high93.2Very high0 Ų028.5 Ų28.50%013%0.128CC..Hα-helixtrans-72.1-49.6178.900000112.2A46 R47 G48 E52 R53 A54 N76 I80 L84 F108 V112A46-A50 WeakPolarHBondContact O-CB 3.48Å; A46-A50 PolarHBondContact O-N 3.31Å; R47-A50 PolarHBondContact O-N 3.04Å; G48-A50 VanDerWaalsContact C-N 3.31Å; G48-A50 PolarHBondContact O-N 2.87Å; A50-E52 VanDerWaalsContact C-N 3.29Å; A50-E52 PolarHBondContact O-N 3.02Å; A50-R53 PolarHBondContact O-N 3.39Å; A50-A54 WeakPolarHBondContact O-CB 3.21Å; A50-A54 PolarHBondContact O-N 3.33Å; A50-N76 VanDerWaalsContact CB-OD1 3.24Å; A50-N76 WeakPolarHBondContact CB-OD1 3.44Å; A50-I80 HydrophobicContact CB-CG2 4.1Å; A50-L84 HydrophobicContact CB-CD1 3.76Å; A50-F108 HydrophobicContact CB-CE1 4.18Å; A50-F108 HydrophobicContact CB-CZ 4.06Å; A50-V112 HydrophobicContact CB-CG2 4.08Å
51I94.9Very high93.1Very high12 Ų1226.3 Ų26.36%0.06212%0.118CC..Hα-helixtrans-58.9-44.7177.6-67.6170000109.9R47 G48 A54 K55 A72 N76 M170R47-I51 HydrophobicContact CG-CD1 4.1Å; R47-I51 WeakPolarHBondContact O-CG1 3.48Å; R47-I51 PolarHBondContact O-N 2.98Å; R47-I51 VanDerWaalsContact O-N 3.13Å; G48-I51 PolarHBondContact O-N 2.91Å; I51-A54 PolarHBondContact O-N 2.9Å; I51-K55 VanDerWaalsContact O-CB 3.25Å; I51-K55 WeakPolarHBondContact O-CB 3.13Å; I51-K55 PolarHBondContact O-N 2.81Å; I51-A72 HydrophobicContact CG2-CB 4.25Å; I51-N76 HydrophobicContact CG1-CB 3.9Å; I51-M170 HydrophobicContact CD1-SD 4.44Å
52E94.6Very high92.7Very high27 Ų2727 Ų2713%0.12613%0.125CC..Hα-helixtrans-66.4-41.8-178.2178.357.9-158.100113G48 A50 K55 R56 T201G48-E52 VanDerWaalsContact O-CB 3.23Å; G48-E52 WeakPolarHBondContact O-CB 3.32Å; G48-E52 PolarHBondContact O-N 3.18Å; A50-E52 VanDerWaalsContact C-N 3.29Å; A50-E52 PolarHBondContact O-N 3.02Å; E52-K55 IonicContact OE1-NZ 3.39Å; E52-K55 WeakPolarHBondContact OE2-CE 3.42Å; E52-K55 IonicContact OE2-NZ 3.84Å; E52-K55 PolarHBondContact OE2-NZ 2.95Å; E52-R56 VanDerWaalsContact O-CG 3.32Å; E52-R56 WeakPolarHBondContact O-CG 3.34Å; E52-R56 PolarHBondContact O-N 3.11Å; E52-R56 VanDerWaalsContact O-N 3.09Å; E52-R56 IonicContact OE1-CZ 3.29Å; E52-R56 IonicContact OE1-NE 3.74Å; E52-R56 PolarHBondContact OE1-NE 3.1Å; E52-R56 IonicContact OE1-NH2 3.14Å; E52-R56 PolarHBondContact OE1-NH2 2.86Å; E52-T201 HydrophobicContact CB-CG2 3.87Å; E52-T201 HydrophobicContact CG-CG2 4.18Å
53R94.6Very high92.7Very high7 Ų726.7 Ų26.73%0.02612%0.123CC..Hα-helixtrans-65.8-45.3175.4-80.7175.3-173.767.11.9111.8E49 A50 K55 R56 V57 S105 V112E49-R53 VanDerWaalsContact CB-NH1 3.26Å; E49-R53 WeakPolarHBondContact O-CB 3.46Å; E49-R53 WeakPolarHBondContact O-CG 3.24Å; E49-R53 PolarHBondContact O-N 3.35Å; E49-R53 VanDerWaalsContact O-N 3.16Å; E49-R53 PolarHBondContact O-NH1 2.92Å; E49-R53 IonicContact OE2-CZ 2.8Å; E49-R53 IonicContact OE2-NH1 3.34Å; E49-R53 PolarHBondContact OE2-NH1 3.34Å; E49-R53 IonicContact OE2-NH2 3.64Å; E49-R53 PolarHBondContact OE2-NH2 3.13Å; E49-R53 VanDerWaalsContact OE2-NH2 3.14Å; A50-R53 PolarHBondContact O-N 3.39Å; R53-K55 PolarHBondContact O-N 2.92Å; R53-R56 PolarHBondContact O-N 2.98Å; R53-V57 PolarHBondContact O-N 2.88Å; R53-S105 PolarHBondContact NH2-OG 2.97Å; R53-S105 VanDerWaalsContact NH2-OG 3.1Å; R53-V112 HydrophobicContact CB-CG1 3.93Å
54A95.9Very high92.6Very high0 Ų026.6 Ų26.60%012%0.122CC..Hα-helixtrans-58.3-49.7175.600000111.1A50 I51 R56 V57 L58 A72 I80 V112 L116A50-A54 WeakPolarHBondContact O-CB 3.21Å; A50-A54 PolarHBondContact O-N 3.33Å; I51-A54 PolarHBondContact O-N 2.9Å; A54-R56 VanDerWaalsContact C-N 3.31Å; A54-R56 PolarHBondContact O-N 3.33Å; A54-V57 PolarHBondContact O-N 3.38Å; A54-L58 VanDerWaalsContact O-CG 3.28Å; A54-L58 WeakPolarHBondContact O-CG 3.2Å; A54-L58 PolarHBondContact O-N 2.91Å; A54-L58 VanDerWaalsContact O-N 3.1Å; A54-A72 HydrophobicContact CB-CB 3.72Å; A54-I80 HydrophobicContact CB-CD1 4.44Å; A54-V112 HydrophobicContact CB-CG1 4.06Å; A54-L116 HydrophobicContact CB-CD2 3.95Å
55K93.6Very high92.5Very high21 Ų2125 Ų259%0.09112%0.116CC..Hα-helixtrans-52.2-47.2176.4-174.9-169.580.8-173.50111.8I51 E52 R53 V57 L58 L59 L65 A68 V69 A72I51-K55 VanDerWaalsContact O-CB 3.25Å; I51-K55 WeakPolarHBondContact O-CB 3.13Å; I51-K55 PolarHBondContact O-N 2.81Å; E52-K55 IonicContact OE1-NZ 3.39Å; E52-K55 WeakPolarHBondContact OE2-CE 3.42Å; E52-K55 IonicContact OE2-NZ 3.84Å; E52-K55 PolarHBondContact OE2-NZ 2.95Å; R53-K55 PolarHBondContact O-N 2.92Å; K55-V57 PolarHBondContact O-N 2.85Å; K55-L58 PolarHBondContact O-N 3Å; K55-L59 HydrophobicContact CD-CD1 4.49Å; K55-L59 HydrophobicContact CG-CD1 4.03Å; K55-L59 HydrophobicContact CG-CG 4.43Å; K55-L59 WeakPolarHBondContact O-CB 3.29Å; K55-L59 VanDerWaalsContact O-CG 3.31Å; K55-L59 WeakPolarHBondContact O-CG 3.2Å; K55-L59 PolarHBondContact O-N 3.02Å; K55-L65 HydrophobicContact CD-CD1 4.1Å; K55-A68 HydrophobicContact CG-CB 4.27Å; K55-V69 HydrophobicContact CD-CG2 3.64Å; K55-V69 HydrophobicContact CG-CG2 4.04Å; K55-A72 HydrophobicContact CB-CB 4.22Å
56R91.8Very high92.2Very high52 Ų5226 Ų2620%0.19612%0.124CC..Hα-helixtrans-62.1-43.9-179.2-74.4174.7-166.4162.68.4113E52 R53 A54 L58 L59 R60E52-R56 VanDerWaalsContact O-CG 3.32Å; E52-R56 WeakPolarHBondContact O-CG 3.34Å; E52-R56 PolarHBondContact O-N 3.11Å; E52-R56 VanDerWaalsContact O-N 3.09Å; E52-R56 IonicContact OE1-CZ 3.29Å; E52-R56 IonicContact OE1-NE 3.74Å; E52-R56 PolarHBondContact OE1-NE 3.1Å; E52-R56 IonicContact OE1-NH2 3.14Å; E52-R56 PolarHBondContact OE1-NH2 2.86Å; R53-R56 PolarHBondContact O-N 2.98Å; A54-R56 VanDerWaalsContact C-N 3.31Å; A54-R56 PolarHBondContact O-N 3.33Å; R56-L58 VanDerWaalsContact C-N 3.31Å; R56-L59 PolarHBondContact O-N 3.28Å; R56-R60 WeakPolarHBondContact O-CG 3.37Å; R56-R60 PolarHBondContact O-N 2.89Å
57V91.6Very high92Very high6 Ų626.2 Ų26.24%0.03612%0.124CC..Hα-helixtrans-63.9-41.7178.8173.70000110.6F16 L25 R53 A54 K55 R60 N61 H113F16-V57 HydrophobicContact CD2-CG1 4.16Å; F16-V57 HydrophobicContact CE2-CG1 3.55Å; F16-V57 HydrophobicContact CZ-CG1 4.47Å; L25-V57 HydrophobicContact CD2-CG1 4.44Å; R53-V57 PolarHBondContact O-N 2.88Å; A54-V57 PolarHBondContact O-N 3.38Å; K55-V57 PolarHBondContact O-N 2.85Å; V57-R60 PolarHBondContact O-N 3.44Å; V57-N61 PolarHBondContact O-N 3.42Å; V57-N61 PolarHBondContact O-ND2 3.5Å; V57-H113 WeakPolarHBondContact CG2-NE2 3.32Å
58L93.4Very high92Very high0 Ų023 Ų230%011%0.112CC..Hα-helixtrans-63.6-45.5177.7-64.1173.7000111.9F16 A54 K55 R56 R60 N61 G62 M63 A68 L71 A72 L116F16-L58 HydrophobicContact CD1-CD2 4.13Å; F16-L58 HydrophobicContact CD2-CD2 4.4Å; F16-L58 HydrophobicContact CE1-CD2 4.24Å; F16-L58 HydrophobicContact CG-CD2 4.2Å; F16-L58 HydrophobicContact CZ-CD2 4.45Å; A54-L58 VanDerWaalsContact O-CG 3.28Å; A54-L58 WeakPolarHBondContact O-CG 3.2Å; A54-L58 PolarHBondContact O-N 2.91Å; A54-L58 VanDerWaalsContact O-N 3.1Å; K55-L58 PolarHBondContact O-N 3Å; R56-L58 VanDerWaalsContact C-N 3.31Å; L58-R60 PolarHBondContact O-N 3.44Å; L58-N61 CarbonylContact O-C 3.5Å; L58-N61 PolarHBondContact O-N 2.91Å; L58-N61 VanDerWaalsContact O-N 3.1Å; L58-G62 PolarHBondContact O-N 3.38Å; L58-M63 HydrophobicContact CB-CB 4.36Å; L58-M63 HydrophobicContact CB-CG 4.45Å; L58-M63 HydrophobicContact CB-SD 3.75Å; L58-M63 HydrophobicContact CD1-SD 4.29Å; L58-M63 HydrophobicContact CD2-CE 3.8Å; L58-M63 HydrophobicContact CD2-SD 3.69Å; L58-M63 HydrophobicContact CG-SD 4.08Å; L58-M63 WeakPolarHBondContact O-CB 3.43Å; L58-M63 PolarHBondContact O-N 3.47Å; L58-A68 HydrophobicContact CB-CB 3.77Å; L58-A68 HydrophobicContact CD1-CB 4.42Å; L58-A68 WeakPolarHBondContact CD1-O 3.41Å; L58-L71 HydrophobicContact CD1-CB 3.87Å; L58-L71 HydrophobicContact CD1-CD2 3.91Å; L58-L71 HydrophobicContact CD1-CG 3.88Å; L58-L71 HydrophobicContact CD2-CD2 3.8Å; L58-A72 HydrophobicContact CD1-CB 4.32Å; L58-L116 HydrophobicContact CD2-CD2 4.11Å; L58-L116 HydrophobicContact CG-CD2 4.16Å
59L90.4Very high91.9Very high57 Ų5723 Ų2330%0.29811%0.112SC..Hα-helixtrans-59.5-44.1175.4-74.7174.3000112.5K55 R56 N61 G62 M63 L65 A68K55-L59 HydrophobicContact CD-CD1 4.49Å; K55-L59 HydrophobicContact CG-CD1 4.03Å; K55-L59 HydrophobicContact CG-CG 4.43Å; K55-L59 WeakPolarHBondContact O-CB 3.29Å; K55-L59 VanDerWaalsContact O-CG 3.31Å; K55-L59 WeakPolarHBondContact O-CG 3.2Å; K55-L59 PolarHBondContact O-N 3.02Å; R56-L59 PolarHBondContact O-N 3.28Å; L59-N61 PolarHBondContact O-N 3.01Å; L59-G62 PolarHBondContact O-N 3.34Å; L59-M63 WeakPolarHBondContact CD2-O 3.32Å; L59-L65 HydrophobicContact CD1-CD1 4.06Å; L59-L65 HydrophobicContact CD2-CB 4.31Å; L59-L65 HydrophobicContact CD2-CD1 4.29Å; L59-A68 HydrophobicContact CD2-CB 3.96Å; L59-A68 HydrophobicContact CG-CB 3.93Å
60R86.7Confident91.6Very high106 Ų10623.3 Ų23.340%0.411%0.112SC..Hα-helixtrans-61.9-23.9176.8-72.9-175-151.7157.913.9113R56 V57 L58 G62R56-R60 WeakPolarHBondContact O-CG 3.37Å; R56-R60 PolarHBondContact O-N 2.89Å; V57-R60 PolarHBondContact O-N 3.44Å; L58-R60 PolarHBondContact O-N 3.44Å; R60-G62 VanDerWaalsContact C-N 3.32Å
61N86.7Confident91.5Very high23 Ų2323.3 Ų23.312%0.12311%0.112CC..THydrogen-bonded Turntrans-93.515.8176.8-74.3-81.1000113.1R15 F16 A19 V57 L58 L59R15-N61 WeakPolarHBondContact CD-O 3.47Å; F16-N61 HydrophobicContact CB-CB 3.96Å; F16-N61 HydrophobicContact CD2-CB 4.27Å; A19-N61 WeakPolarHBondContact CB-OD1 3.14Å; V57-N61 PolarHBondContact O-N 3.42Å; V57-N61 PolarHBondContact O-ND2 3.5Å; L58-N61 CarbonylContact O-C 3.5Å; L58-N61 PolarHBondContact O-N 2.91Å; L58-N61 VanDerWaalsContact O-N 3.1Å; L59-N61 PolarHBondContact O-N 3.01Å
62G86Confident91.5Very high15 Ų1522.7 Ų22.716%0.15511%0.109CC..THydrogen-bonded Turntrans85.710.5171.100000115.2L58 L59 R60L58-G62 PolarHBondContact O-N 3.38Å; L59-G62 PolarHBondContact O-N 3.34Å; R60-G62 VanDerWaalsContact C-N 3.32Å
63M91.5Very high91.4Very high7 Ų721.5 Ų21.53%0.03410%0.104CC..  trans-70.1145.4169.6-73.2-172.7-169.900111.2A12 L13 F16 L58 L59 A68 L71A12-M63 HydrophobicContact CB-CB 4.29Å; A12-M63 HydrophobicContact CB-CE 4.47Å; A12-M63 HydrophobicContact CB-CG 3.44Å; A12-M63 VanDerWaalsContact CB-CG 3.44Å; L13-M63 VanDerWaalsContact CA-CE 3.48Å; L13-M63 HydrophobicContact CB-CE 3.99Å; L13-M63 HydrophobicContact CD1-CE 3.96Å; F16-M63 HydrophobicContact CB-CE 4.25Å; L58-M63 HydrophobicContact CB-CB 4.36Å; L58-M63 HydrophobicContact CB-CG 4.45Å; L58-M63 HydrophobicContact CB-SD 3.75Å; L58-M63 HydrophobicContact CD1-SD 4.29Å; L58-M63 HydrophobicContact CD2-CE 3.8Å; L58-M63 HydrophobicContact CD2-SD 3.69Å; L58-M63 HydrophobicContact CG-SD 4.08Å; L58-M63 WeakPolarHBondContact O-CB 3.43Å; L58-M63 PolarHBondContact O-N 3.47Å; L59-M63 WeakPolarHBondContact CD2-O 3.32Å; M63-A68 HydrophobicContact CB-CB 4.18Å; M63-L71 HydrophobicContact CE-CD2 3.78Å; M63-L71 HydrophobicContact SD-CD2 3.92Å
64K90.4Very high91.3Very high79 Ų7924.7 Ų24.734%0.34312%0.116SC..  trans-66.2154.2170.8-63.1179.9-179.3179.30110.5Q6 A66 D67 A68Q6-K64 HydrophobicContact CB-CD 4.21Å; Q6-K64 VanDerWaalsContact CB-CE 3.42Å; Q6-K64 HydrophobicContact CB-CG 3.82Å; Q6-K64 HydrophobicContact CG-CG 4.2Å; Q6-K64 VanDerWaalsContact OE1-CE 3.28Å; K64-A66 PolarHBondContact O-N 3.38Å; K64-D67 HydrophobicContact CB-CB 4.34Å; K64-D67 PolarHBondContact O-N 3.42Å; K64-A68 WeakPolarHBondContact O-CB 3.29Å; K64-A68 PolarHBondContact O-N 3.14Å
65L90.2Very high91.2Very high28 Ų2824.7 Ų24.715%0.14712%0.116CC..Hα-helixtrans-56.2-47.9-178.9-179.660.4000112.8K55 L59 D67 A68 V69 F145 Y161 V163K55-L65 HydrophobicContact CD-CD1 4.1Å; L59-L65 HydrophobicContact CD1-CD1 4.06Å; L59-L65 HydrophobicContact CD2-CB 4.31Å; L59-L65 HydrophobicContact CD2-CD1 4.29Å; L65-D67 VanDerWaalsContact C-N 3.34Å; L65-D67 PolarHBondContact O-N 2.97Å; L65-A68 PolarHBondContact O-N 3.37Å; L65-V69 HydrophobicContact CD1-CG2 4.05Å; L65-V69 VanDerWaalsContact O-CG2 3.28Å; L65-V69 WeakPolarHBondContact O-CG2 3.34Å; L65-V69 PolarHBondContact O-N 2.97Å; L65-F145 HydrophobicContact CD2-CE2 3.99Å; L65-F145 HydrophobicContact CD2-CZ 4.39Å; L65-Y161 HydrophobicContact CD2-CE2 3.97Å; L65-V163 HydrophobicContact CD2-CB 4.03Å; L65-V163 HydrophobicContact CD2-CG2 4.4Å
66A88.8Confident91.3Very high23 Ų2324 Ų2419%0.1911%0.113CC..Hα-helixtrans-60.2-45.3179.600000112.1K64 V69 W70 P165K64-A66 PolarHBondContact O-N 3.38Å; A66-V69 PolarHBondContact O-N 2.97Å; A66-W70 WeakPolarHBondContact O-CB 3.27Å; A66-W70 PolarHBondContact O-N 2.96Å; A66-P165 HydrophobicContact CB-CB 4.42Å; A66-P165 HydrophobicContact CB-CG 3.59Å
67D91.1Very high91.2Very high14 Ų1424 Ų248%0.07512%0.115CC..Hα-helixtrans-65.5-41.9179.4-64.6-17.9000112.3F9 K64 L65 W70 L71 H131F9-D67 HydrophobicContact CD2-CB 4Å; K64-D67 HydrophobicContact CB-CB 4.34Å; K64-D67 PolarHBondContact O-N 3.42Å; L65-D67 VanDerWaalsContact C-N 3.34Å; L65-D67 PolarHBondContact O-N 2.97Å; D67-W70 PolarHBondContact O-N 2.92Å; D67-L71 WeakPolarHBondContact O-CB 3.29Å; D67-L71 PolarHBondContact O-N 3.24Å; D67-H131 IonicContact OD1-CD2 2.69Å; D67-H131 IonicContact OD1-CE1 3.51Å; D67-H131 PolarHBondContact OD1-CE1 3.33Å; D67-H131 IonicContact OD1-NE2 3.76Å; D67-H131 PolarHBondContact OD1-NE2 2.86Å
68A92.9Very high91.3Very high0 Ų029 Ų290%014%0.139CC..Hα-helixtrans-65.1-42177.700000111.6K55 L58 L59 M63 K64 L65 A72K55-A68 HydrophobicContact CG-CB 4.27Å; L58-A68 HydrophobicContact CB-CB 3.77Å; L58-A68 HydrophobicContact CD1-CB 4.42Å; L58-A68 WeakPolarHBondContact CD1-O 3.41Å; L59-A68 HydrophobicContact CD2-CB 3.96Å; L59-A68 HydrophobicContact CG-CB 3.93Å; M63-A68 HydrophobicContact CB-CB 4.18Å; K64-A68 WeakPolarHBondContact O-CB 3.29Å; K64-A68 PolarHBondContact O-N 3.14Å; L65-A68 PolarHBondContact O-N 3.37Å; A68-A72 WeakPolarHBondContact O-CB 3.34Å; A68-A72 PolarHBondContact O-N 3Å
69V92.3Very high91.3Very high4 Ų430.2 Ų30.22%0.02415%0.146CC..Hα-helixtrans-64.5-47.9175.7171.60000110.5K55 L65 A66 L71 A72 C73 I164K55-V69 HydrophobicContact CD-CG2 3.64Å; K55-V69 HydrophobicContact CG-CG2 4.04Å; L65-V69 HydrophobicContact CD1-CG2 4.05Å; L65-V69 VanDerWaalsContact O-CG2 3.28Å; L65-V69 WeakPolarHBondContact O-CG2 3.34Å; L65-V69 PolarHBondContact O-N 2.97Å; A66-V69 PolarHBondContact O-N 2.97Å; V69-L71 PolarHBondContact O-N 3.43Å; V69-A72 PolarHBondContact O-N 2.82Å; V69-C73 PolarHBondContact O-N 2.9Å; V69-C73 PolarHBondContact O-SG 3.42Å; V69-I164 HydrophobicContact CG1-CD1 3.81Å; V69-I164 HydrophobicContact CG1-CG2 4.15Å
70W91Very high91.6Very high8 Ų827.5 Ų27.53%0.0313%0.132CC..Hα-helixtrans-55.9-50.7177.8176.886.3000111.8F9 A66 D67 C73 R74 L127 C130 H131 W134F9-W70 HydrophobicContact CE2-CE3 4.18Å; F9-W70 HydrophobicContact CE2-CZ3 4.05Å; F9-W70 HydrophobicContact CZ-CE3 4.33Å; F9-W70 AromaticContact CZ-CZ3 3.73Å; F9-W70 HydrophobicContact CZ-CZ3 3.73Å; A66-W70 WeakPolarHBondContact O-CB 3.27Å; A66-W70 PolarHBondContact O-N 2.96Å; D67-W70 PolarHBondContact O-N 2.92Å; W70-C73 PolarHBondContact O-N 2.62Å; W70-R74 PolarHBondContact O-N 3.38Å; W70-R74 VanDerWaalsContact O-N 3.09Å; W70-L127 HydrophobicContact CH2-CD2 4.16Å; W70-L127 HydrophobicContact CZ3-CD2 4.28Å; W70-C130 HydrophobicContact CH2-CB 4.13Å; W70-C130 HydrophobicContact CZ2-CB 4.18Å; W70-H131 HydrophobicContact CE3-CB 4.49Å; W70-H131 AromaticContact CE3-CD2 3.86Å; W70-H131 HydrophobicContact CH2-CB 3.85Å; W70-H131 HydrophobicContact CZ2-CB 4.38Å; W70-H131 HydrophobicContact CZ3-CB 3.91Å; W70-W134 AromaticContact CD1-CD1 3.74Å; W70-W134 AromaticContact CD1-CD2 3.65Å; W70-W134 AromaticContact CD1-CE2 3.52Å; W70-W134 AromaticContact CD1-CG 3.82Å; W70-W134 AromaticContact CD1-NE1 3.52Å; W70-W134 HydrophobicContact CG-CD2 4.35Å; W70-W134 AromaticContact NE1-CD1 3.46Å; W70-W134 AromaticContact NE1-CD2 3.79Å; W70-W134 AromaticContact NE1-CG 3.46Å; W70-W134 AromaticContact NE1-NE1 3.76Å
71L93.8Very high92.1Very high0 Ų024.5 Ų24.50%013%0.13CC..Hα-helixtrans-69.2-38.3-178.7-179.857.8000112.2F9 L13 L58 M63 D67 V69 R74 A75 Y119 L127F9-L71 HydrophobicContact CE2-CD2 4.29Å; F9-L71 HydrophobicContact CZ-CD2 4.4Å; L13-L71 HydrophobicContact CD1-CD2 4.19Å; L58-L71 HydrophobicContact CD1-CB 3.87Å; L58-L71 HydrophobicContact CD1-CD2 3.91Å; L58-L71 HydrophobicContact CD1-CG 3.88Å; L58-L71 HydrophobicContact CD2-CD2 3.8Å; M63-L71 HydrophobicContact CE-CD2 3.78Å; M63-L71 HydrophobicContact SD-CD2 3.92Å; D67-L71 WeakPolarHBondContact O-CB 3.29Å; D67-L71 PolarHBondContact O-N 3.24Å; V69-L71 PolarHBondContact O-N 3.43Å; L71-R74 PolarHBondContact O-N 2.77Å; L71-A75 VanDerWaalsContact O-CB 3.29Å; L71-A75 WeakPolarHBondContact O-CB 3.49Å; L71-A75 PolarHBondContact O-N 3.05Å; L71-Y119 HydrophobicContact CD1-CE1 4.32Å; L71-L127 HydrophobicContact CD1-CD1 4Å; L71-L127 HydrophobicContact CD1-CD2 3.87Å
72A94.8Very high92.5Very high0 Ų029.1 Ų29.10%015%0.151CC..Hα-helixtrans-61.6-4417600000112.1I51 A54 K55 L58 A68 V69 N76I51-A72 HydrophobicContact CG2-CB 4.25Å; A54-A72 HydrophobicContact CB-CB 3.72Å; K55-A72 HydrophobicContact CB-CB 4.22Å; L58-A72 HydrophobicContact CD1-CB 4.32Å; A68-A72 WeakPolarHBondContact O-CB 3.34Å; A68-A72 PolarHBondContact O-N 3Å; V69-A72 PolarHBondContact O-N 2.82Å; A72-N76 WeakPolarHBondContact O-CB 3.38Å; A72-N76 PolarHBondContact O-N 3.09Å
73C92.7Very high93Very high1 Ų129.4 Ų29.41%0.00715%0.152CC..Hα-helixtrans-62.9-46.4177.1-65.20000111.2V69 W70 N76 Q77V69-C73 PolarHBondContact O-N 2.9Å; V69-C73 PolarHBondContact O-SG 3.42Å; W70-C73 PolarHBondContact O-N 2.62Å; C73-N76 PolarHBondContact O-N 2.91Å; C73-Q77 VanDerWaalsContact O-CG 3.31Å; C73-Q77 WeakPolarHBondContact O-CG 3.31Å; C73-Q77 PolarHBondContact O-N 2.99Å
74R92Very high93.2Very high75 Ų7529.2 Ų29.228%0.28315%0.151SC..Hα-helixtrans-64.2-48.1179.7-161.5-179.8-163.8895.5112.3W70 L71 N76 Q77 Q78W70-R74 PolarHBondContact O-N 3.38Å; W70-R74 VanDerWaalsContact O-N 3.09Å; L71-R74 PolarHBondContact O-N 2.77Å; R74-N76 VanDerWaalsContact C-N 3.26Å; R74-N76 PolarHBondContact O-N 3.36Å; R74-Q77 PolarHBondContact O-N 3.4Å; R74-Q78 HydrophobicContact CG-CG 4.36Å; R74-Q78 WeakPolarHBondContact O-CB 3.08Å; R74-Q78 WeakPolarHBondContact O-CG 3.14Å; R74-Q78 PolarHBondContact O-N 3.24Å
75A94.8Very high93.4Very high0 Ų026.4 Ų26.40%014%0.143CC..Hα-helixtrans-60.4-40.3176.300000111L71 Q77 Q78 C79 I80 L116 Y119L71-A75 VanDerWaalsContact O-CB 3.29Å; L71-A75 WeakPolarHBondContact O-CB 3.49Å; L71-A75 PolarHBondContact O-N 3.05Å; A75-Q77 PolarHBondContact O-N 3.28Å; A75-Q78 PolarHBondContact O-N 2.97Å; A75-C79 PolarHBondContact O-N 2.78Å; A75-C79 PolarHBondContact O-SG 3.38Å; A75-I80 HydrophobicContact CB-CD1 3.95Å; A75-I80 PolarHBondContact O-N 3.16Å; A75-L116 HydrophobicContact CB-CD1 3.51Å; A75-Y119 HydrophobicContact CB-CD1 3.69Å; A75-Y119 HydrophobicContact CB-CE1 4.13Å; A75-Y119 HydrophobicContact CB-CG 4.5Å
76N94.8Very high93.6Very high7 Ų729.1 Ų29.14%0.03716%0.157CC..Iπ-helixtrans-59.3-47.6177.4-177.272.6000112.4A50 I51 A72 C73 R74 I80 A81A50-N76 VanDerWaalsContact CB-OD1 3.24Å; A50-N76 WeakPolarHBondContact CB-OD1 3.44Å; I51-N76 HydrophobicContact CG1-CB 3.9Å; A72-N76 WeakPolarHBondContact O-CB 3.38Å; A72-N76 PolarHBondContact O-N 3.09Å; C73-N76 PolarHBondContact O-N 2.91Å; R74-N76 VanDerWaalsContact C-N 3.26Å; R74-N76 PolarHBondContact O-N 3.36Å; N76-I80 PolarHBondContact O-N 3.47Å; N76-A81 WeakPolarHBondContact O-CB 3.27Å; N76-A81 PolarHBondContact O-N 3Å
77Q89.7Confident93.9Very high51 Ų5131.1 Ų31.124%0.23816%0.162CC..Iπ-helixtrans-64-43.3177.4-68.8163.3-4.600112.9C73 R74 A75 D169 M170 T171 P172C73-Q77 VanDerWaalsContact O-CG 3.31Å; C73-Q77 WeakPolarHBondContact O-CG 3.31Å; C73-Q77 PolarHBondContact O-N 2.99Å; R74-Q77 PolarHBondContact O-N 3.4Å; A75-Q77 PolarHBondContact O-N 3.28Å; Q77-D169 PolarHBondContact NE2-O 2.74Å; Q77-M170 PolarHBondContact NE2-O 3.07Å; Q77-T171 VanDerWaalsContact NE2-C 3.25Å; Q77-T171 PolarHBondContact NE2-O 2.9Å; Q77-P172 HydrophobicContact CG-CG 4.46Å
78Q92.5Very high94Very high112 Ų11230.5 Ų30.552%0.52316%0.158SC..Iπ-helixtrans-79.7-28.6-169.2-66.9-65.7-40.100113.5R74 A75 Y119R74-Q78 HydrophobicContact CG-CG 4.36Å; R74-Q78 WeakPolarHBondContact O-CB 3.08Å; R74-Q78 WeakPolarHBondContact O-CG 3.14Å; R74-Q78 PolarHBondContact O-N 3.24Å; A75-Q78 PolarHBondContact O-N 2.97Å; Q78-Y119 HydrophobicContact CB-CD2 4.17Å; Q78-Y119 HydrophobicContact CB-CE2 3.68Å; Q78-Y119 HydrophobicContact CG-CE2 3.97Å
79C95Very high93.9Very high24 Ų2435.4 Ų35.416%0.16218%0.184CC..Iπ-helixtrans-148-44.1-174.859.10000115A75 A81 Q82 A83A75-C79 PolarHBondContact O-N 2.78Å; A75-C79 PolarHBondContact O-SG 3.38Å; C79-A81 PolarHBondContact O-N 3.01Å; C79-Q82 PolarHBondContact O-N 3.13Å; C79-A83 PolarHBondContact O-N 3.19Å; C79-A83 VanDerWaalsContact O-N 3.1Å
80I96.9Very high93.8Very high0 Ų039.4 Ų39.40%021%0.211CC..Iπ-helixtrans-67.3-42.6-168.3-50169.8000111.2A50 A54 A75 N76 Q82 A83 L84 V112 E115 L116A50-I80 HydrophobicContact CB-CG2 4.1Å; A54-I80 HydrophobicContact CB-CD1 4.44Å; A75-I80 HydrophobicContact CB-CD1 3.95Å; A75-I80 PolarHBondContact O-N 3.16Å; N76-I80 PolarHBondContact O-N 3.47Å; I80-Q82 VanDerWaalsContact C-N 3.32Å; I80-Q82 PolarHBondContact O-N 3.39Å; I80-A83 PolarHBondContact O-N 3.49Å; I80-L84 HydrophobicContact CG2-CD1 3.76Å; I80-L84 HydrophobicContact CG2-CG 4.12Å; I80-L84 WeakPolarHBondContact O-CB 3.27Å; I80-L84 WeakPolarHBondContact O-CG 3.45Å; I80-L84 PolarHBondContact O-N 3.2Å; I80-V112 HydrophobicContact CD1-CG1 4.24Å; I80-V112 HydrophobicContact CG2-CB 4.27Å; I80-V112 HydrophobicContact CG2-CG1 4.48Å; I80-V112 HydrophobicContact CG2-CG2 3.85Å; I80-E115 HydrophobicContact CG1-CB 3.94Å; I80-L116 HydrophobicContact CD1-CB 4.25Å
81A95.4Very high93.5Very high44 Ų4441.2 Ų41.236%0.36423%0.225SC..Hα-helixtrans-60.5-41.5-178.800000112.1N76 C79 A85N76-A81 WeakPolarHBondContact O-CB 3.27Å; N76-A81 PolarHBondContact O-N 3Å; C79-A81 PolarHBondContact O-N 3.01Å; A81-A85 WeakPolarHBondContact O-CB 3.38Å; A81-A85 PolarHBondContact O-N 3.45Å
82Q96Very high93Very high119 Ų11943.3 Ų43.356%0.55624%0.236SC*.Hα-helixtrans-67.4-46.3176.8-17560.853.600111.4C79 I80 L84 A85 D86C79-Q82 PolarHBondContact O-N 3.13Å; I80-Q82 VanDerWaalsContact C-N 3.32Å; I80-Q82 PolarHBondContact O-N 3.39Å; Q82-L84 VanDerWaalsContact C-N 3.27Å; Q82-L84 PolarHBondContact O-N 3.19Å; Q82-A85 WeakPolarHBondContact O-CB 3.32Å; Q82-A85 PolarHBondContact O-N 3.29Å; Q82-A85 VanDerWaalsContact O-N 3.13Å; Q82-D86 PolarHBondContact NE2-OD1 3.46Å; Q82-D86 VanDerWaalsContact O-CG 3.3Å; Q82-D86 PolarHBondContact O-N 3.28Å
83A97.2Very high92Very high21 Ų2148.8 Ų48.817%0.17428%0.275CS..Hα-helixtrans-60.7-37.7178.500000112.4C79 I80 K87 I111 E115C79-A83 PolarHBondContact O-N 3.19Å; C79-A83 VanDerWaalsContact O-N 3.1Å; I80-A83 PolarHBondContact O-N 3.49Å; A83-K87 PolarHBondContact O-N 2.98Å; A83-K87 VanDerWaalsContact O-N 3.11Å; A83-I111 HydrophobicContact CB-CG2 3.92Å; A83-E115 HydrophobicContact CB-CG 3.7Å
84L96.1Very high91.2Very high4 Ų454.2 Ų54.22%0.02131%0.308CS..Hα-helixtrans-68.5-44.5173.3-71.5173.1000111.6A50 I80 Q82 D86 K87 F88 F108 I111 V112A50-L84 HydrophobicContact CB-CD1 3.76Å; I80-L84 HydrophobicContact CG2-CD1 3.76Å; I80-L84 HydrophobicContact CG2-CG 4.12Å; I80-L84 WeakPolarHBondContact O-CB 3.27Å; I80-L84 WeakPolarHBondContact O-CG 3.45Å; I80-L84 PolarHBondContact O-N 3.2Å; Q82-L84 VanDerWaalsContact C-N 3.27Å; Q82-L84 PolarHBondContact O-N 3.19Å; L84-D86 VanDerWaalsContact C-N 3.31Å; L84-D86 PolarHBondContact O-N 3.1Å; L84-K87 CarbonylContact O-C 3.58Å; L84-K87 WeakPolarHBondContact O-CA 3.42Å; L84-K87 WeakPolarHBondContact O-CB 3.46Å; L84-K87 PolarHBondContact O-N 3.49Å; L84-F88 WeakPolarHBondContact O-CD2 3.39Å; L84-F88 PolarHBondContact O-N 3.26Å; L84-F108 HydrophobicContact CD1-CD2 4.45Å; L84-F108 HydrophobicContact CD1-CE1 4.11Å; L84-F108 HydrophobicContact CD1-CE2 3.6Å; L84-F108 HydrophobicContact CD1-CZ 3.39Å; L84-F108 HydrophobicContact CD2-CD1 4.49Å; L84-F108 HydrophobicContact CD2-CD2 3.57Å; L84-F108 HydrophobicContact CD2-CE1 4.47Å; L84-F108 HydrophobicContact CD2-CE2 3.54Å; L84-F108 HydrophobicContact CD2-CG 4.06Å; L84-F108 HydrophobicContact CD2-CZ 4.01Å; L84-F108 HydrophobicContact CG-CE2 4.15Å; L84-F108 HydrophobicContact CG-CZ 4.34Å; L84-I111 HydrophobicContact CD2-CB 4.11Å; L84-I111 HydrophobicContact CD2-CD1 4.27Å; L84-I111 HydrophobicContact CD2-CG2 3.84Å; L84-I111 HydrophobicContact CG-CG2 4.18Å; L84-V112 HydrophobicContact CD1-CG2 4.38Å
85A94.1Very high90.2Very high20 Ų2053.9 Ų53.917%0.16533%0.328CS..Hα-helixtrans-56.6-45.5176.200000111.6F43 A81 Q82 K87 F88 I89F43-A85 HydrophobicContact CE2-CB 4.32Å; A81-A85 WeakPolarHBondContact O-CB 3.38Å; A81-A85 PolarHBondContact O-N 3.45Å; Q82-A85 WeakPolarHBondContact O-CB 3.32Å; Q82-A85 PolarHBondContact O-N 3.29Å; Q82-A85 VanDerWaalsContact O-N 3.13Å; A85-K87 VanDerWaalsContact C-N 3.27Å; A85-K87 PolarHBondContact O-N 3.39Å; A85-F88 PolarHBondContact O-N 3.24Å; A85-I89 VanDerWaalsContact O-CG1 3.29Å; A85-I89 WeakPolarHBondContact O-CG1 3.39Å; A85-I89 PolarHBondContact O-N 3.14Å
86D94.9Very high89.3Confident84 Ų8455.6 Ų55.645%0.44934%0.342SS..Hα-helixtrans-60.7-37.2175-64.3-17.4000111.6Q82 L84 S90Q82-D86 PolarHBondContact NE2-OD1 3.46Å; Q82-D86 VanDerWaalsContact O-CG 3.3Å; Q82-D86 PolarHBondContact O-N 3.28Å; L84-D86 VanDerWaalsContact C-N 3.31Å; L84-D86 PolarHBondContact O-N 3.1Å; D86-S90 WeakPolarHBondContact O-CB 3.18Å; D86-S90 PolarHBondContact O-N 3.46Å; D86-S90 PolarHBondContact O-OG 3.35Å
87K94.2Very high88.4Confident66 Ų6658.6 Ų58.629%0.28736%0.364SS..Hα-helixtrans-67-42175-178.260.6-176.7177.50112.7A83 L84 A85 S90 S91 V103 I111A83-K87 PolarHBondContact O-N 2.98Å; A83-K87 VanDerWaalsContact O-N 3.11Å; L84-K87 CarbonylContact O-C 3.58Å; L84-K87 WeakPolarHBondContact O-CA 3.42Å; L84-K87 WeakPolarHBondContact O-CB 3.46Å; L84-K87 PolarHBondContact O-N 3.49Å; A85-K87 VanDerWaalsContact C-N 3.27Å; A85-K87 PolarHBondContact O-N 3.39Å; K87-S90 WeakPolarHBondContact CA-OG 3.25Å; K87-S90 PolarHBondContact O-OG 3.49Å; K87-S90 VanDerWaalsContact O-OG 3.05Å; K87-S91 WeakPolarHBondContact O-CB 3.35Å; K87-S91 PolarHBondContact O-N 3.1Å; K87-S91 VanDerWaalsContact O-N 3.1Å; K87-S91 PolarHBondContact O-OG 3.43Å; K87-V103 HydrophobicContact CG-CG1 4.28Å; K87-V103 HydrophobicContact CG-CG2 4.06Å; K87-I111 HydrophobicContact CB-CD1 3.78Å; K87-I111 HydrophobicContact CD-CD1 4.13Å; K87-I111 HydrophobicContact CG-CD1 3.6Å
88F92.9Very high87.5Confident0 Ų059.1 Ų59.10%037%0.368CS..Hα-helixtrans-64.3-44.3175.2-82.7-80.4000111.2I41 F43 A46 L84 A85 S91 N92 I101 V103 F108I41-F88 WeakPolarHBondContact O-CE1 3.47Å; I41-F88 WeakPolarHBondContact O-CZ 3.23Å; F43-F88 HydrophobicContact CB-CD1 4.08Å; F43-F88 HydrophobicContact CB-CE1 4.11Å; F43-F88 HydrophobicContact CB-CG 4.36Å; F43-F88 HydrophobicContact CB-CZ 4.43Å; F43-F88 HydrophobicContact CD2-CB 4.1Å; F43-F88 HydrophobicContact CD2-CD1 4.36Å; F43-F88 AromaticContact CD2-CD2 3.67Å; F43-F88 HydrophobicContact CD2-CD2 3.67Å; F43-F88 HydrophobicContact CD2-CE2 4.18Å; F43-F88 AromaticContact CD2-CG 3.79Å; F43-F88 HydrophobicContact CD2-CG 3.79Å; F43-F88 HydrophobicContact CE2-CD2 4.41Å; A46-F88 HydrophobicContact CB-CE2 3.84Å; A46-F88 HydrophobicContact CB-CZ 4.31Å; L84-F88 WeakPolarHBondContact O-CD2 3.39Å; L84-F88 PolarHBondContact O-N 3.26Å; A85-F88 PolarHBondContact O-N 3.24Å; F88-S91 PolarHBondContact O-N 3.06Å; F88-N92 PolarHBondContact O-N 2.91Å; F88-I101 HydrophobicContact CD1-CB 4.18Å; F88-I101 HydrophobicContact CD1-CG2 3.87Å; F88-V103 HydrophobicContact CD1-CG2 3.84Å; F88-V103 HydrophobicContact CD2-CG2 4.21Å; F88-V103 HydrophobicContact CE1-CB 4.36Å; F88-V103 HydrophobicContact CE1-CG2 3.64Å; F88-V103 HydrophobicContact CE2-CG2 4.01Å; F88-V103 HydrophobicContact CG-CG2 4.12Å; F88-V103 HydrophobicContact CZ-CB 4.19Å; F88-V103 HydrophobicContact CZ-CG2 3.72Å; F88-F108 HydrophobicContact CE2-CE2 4.31Å
89I90.8Very high86.4Confident104 Ų10458 Ų5853%0.53337%0.365SS..Hα-helixtrans-62.6-47.6178-67.7165.4000111.2A85 S91 N92A85-I89 VanDerWaalsContact O-CG1 3.29Å; A85-I89 WeakPolarHBondContact O-CG1 3.39Å; A85-I89 PolarHBondContact O-N 3.14Å; I89-S91 PolarHBondContact O-N 3.23Å; I89-N92 VanDerWaalsContact O-CB 3.24Å; I89-N92 WeakPolarHBondContact O-CB 3.28Å; I89-N92 PolarHBondContact O-N 3.38Å
90S89.5Confident85.6Confident87 Ų8759.8 Ų59.861%0.60838%0.382SS*.Hα-helixtrans-66.1-23.3178.656.20000113.6D86 K87 N92D86-S90 WeakPolarHBondContact O-CB 3.18Å; D86-S90 PolarHBondContact O-N 3.46Å; D86-S90 PolarHBondContact O-OG 3.35Å; K87-S90 WeakPolarHBondContact CA-OG 3.25Å; K87-S90 PolarHBondContact O-OG 3.49Å; K87-S90 VanDerWaalsContact O-OG 3.05Å; S90-N92 VanDerWaalsContact C-N 3.29Å
91S86.2Confident85.1Confident46 Ų4660.4 Ų60.432%0.32239%0.385SS..THydrogen-bonded Turntrans-81.3-9173.3-52.40000112.5K87 F88 I89 S93K87-S91 WeakPolarHBondContact O-CB 3.35Å; K87-S91 PolarHBondContact O-N 3.1Å; K87-S91 VanDerWaalsContact O-N 3.1Å; K87-S91 PolarHBondContact O-OG 3.43Å; F88-S91 PolarHBondContact O-N 3.06Å; I89-S91 PolarHBondContact O-N 3.23Å; S91-S93 VanDerWaalsContact C-N 3.34Å; S91-S93 PolarHBondContact O-N 2.93Å; S91-S93 VanDerWaalsContact O-N 3.1Å
92N83.4Confident84.9Confident44 Ų4461.1 Ų61.124%0.23538%0.38CS..  trans-83.863.9178.2-159.4-2.6000112.9F88 I89 S90 T94 G95 A96 I101F88-N92 PolarHBondContact O-N 2.91Å; I89-N92 VanDerWaalsContact O-CB 3.24Å; I89-N92 WeakPolarHBondContact O-CB 3.28Å; I89-N92 PolarHBondContact O-N 3.38Å; S90-N92 VanDerWaalsContact C-N 3.29Å; N92-T94 PolarHBondContact O-N 3.3Å; N92-G95 WeakPolarHBondContact OD1-CA 3.38Å; N92-G95 PolarHBondContact OD1-N 3.38Å; N92-A96 PolarHBondContact ND2-O 2.94Å; N92-A96 PolarHBondContact OD1-N 3.46Å; N92-A96 PolarHBondContact OD1-O 3.38Å; N92-I101 HydrophobicContact CB-CD1 3.32Å; N92-I101 HydrophobicContact CB-CG1 4.5Å
93S74.1Confident84.7Confident115 Ų11555.6 Ų55.680%0.80436%0.355SS*.THydrogen-bonded Turntrans-69.6-19.6-179.5610000114S91S91-S93 VanDerWaalsContact C-N 3.34Å; S91-S93 PolarHBondContact O-N 2.93Å; S91-S93 VanDerWaalsContact O-N 3.1Å
94T75.3Confident84.4Confident116 Ų11659.1 Ų59.171%0.71237%0.367SS*.THydrogen-bonded Turntrans-104.1-1.9-171.457.80000114.2N92 A96N92-T94 PolarHBondContact O-N 3.3Å; T94-A96 PolarHBondContact O-N 3.39Å
95G71.4Confident84.2Confident67 Ų6759.6 Ų59.669%0.69137%0.371SS*.  trans65.326.3-172.500000113.3N92N92-G95 WeakPolarHBondContact OD1-CA 3.38Å; N92-G95 PolarHBondContact OD1-N 3.38Å
96A74.7Confident84Confident36 Ų3662.9 Ų62.930%0.29839%0.386SS..  trans-67.4162174.100000110.5N92 T94 A100N92-A96 PolarHBondContact ND2-O 2.94Å; N92-A96 PolarHBondContact OD1-N 3.46Å; N92-A96 PolarHBondContact OD1-O 3.38Å; T94-A96 PolarHBondContact O-N 3.39Å; A96-A100 HydrophobicContact CB-CB 4.27Å
97S76.2Confident83.9Confident71 Ų7161.5 Ų61.550%0.49738%0.378SS..  trans-55.5143.6166.7-173.90000109.6D99 A100S97-D99 PolarHBondContact O-N 3.41Å; S97-D99 VanDerWaalsContact O-N 3.09Å; S97-D99 PolarHBondContact OG-OD2 3.15Å; S97-A100 WeakPolarHBondContact O-CB 3.24Å; S97-A100 PolarHBondContact O-N 2.98Å
98L71.2Confident83.9Confident61 Ų6158.4 Ų58.432%0.31936%0.364SS..G310 helixtrans-54.3-29.1175.1-72.7172.2000111.9A100 I101L98-A100 PolarHBondContact O-N 3.05Å; L98-I101 HydrophobicContact CD2-CD1 3.9Å; L98-I101 PolarHBondContact O-N 3.04Å; L98-I101 VanDerWaalsContact O-N 3.11Å
99D69.5Low83.9Confident88 Ų8860.3 Ų60.347%0.47137%0.373SS..G310 helixtrans-67.5-19.2179.7-45.2-42.7000113.5S97S97-D99 PolarHBondContact O-N 3.41Å; S97-D99 VanDerWaalsContact O-N 3.09Å; S97-D99 PolarHBondContact OG-OD2 3.15Å
100A78Confident84.1Confident62 Ų6258.5 Ų58.551%0.51237%0.365SS..G310 helixtrans-90.6-5.317700000113A96 S97 L98 F102A96-A100 HydrophobicContact CB-CB 4.27Å; S97-A100 WeakPolarHBondContact O-CB 3.24Å; S97-A100 PolarHBondContact O-N 2.98Å; L98-A100 PolarHBondContact O-N 3.05Å; A100-F102 WeakPolarHBondContact O-CD2 3.39Å
101I87Confident84.4Confident13 Ų1355.7 Ų55.77%0.06734%0.342CS..  trans-94.5135.1-176.6-52.4176.5000109.5F88 N92 L98F88-I101 HydrophobicContact CD1-CB 4.18Å; F88-I101 HydrophobicContact CD1-CG2 3.87Å; N92-I101 HydrophobicContact CB-CD1 3.32Å; N92-I101 HydrophobicContact CB-CG1 4.5Å; L98-I101 HydrophobicContact CD2-CD1 3.9Å; L98-I101 PolarHBondContact O-N 3.04Å; L98-I101 VanDerWaalsContact O-N 3.11Å
102F90.3Very high84.9Confident60 Ų6053.5 Ų53.526%0.26333%0.327SS..EExtended strand (participates in β ladder)trans-124142.4175.6-65.8-89.5000110.6Q40 I41 C42 A100Q40-F102 HydrophobicContact CB-CB 3.79Å; Q40-F102 HydrophobicContact CB-CD1 3.89Å; Q40-F102 HydrophobicContact CB-CG 4.08Å; Q40-F102 HydrophobicContact CG-CB 3.94Å; I41-F102 WeakPolarHBondContact O-CA 3.43Å; C42-F102 HydrophobicContact CB-CD1 3.98Å; C42-F102 HydrophobicContact CB-CE1 3.61Å; C42-F102 HydrophobicContact CB-CZ 4.22Å; A100-F102 WeakPolarHBondContact O-CD2 3.39Å
103V92.1Very high85.4Confident3 Ų352.1 Ų52.12%0.01832%0.319CS..EExtended strand (participates in β ladder)trans-107.2134.4168.8179.80000108.1Q40 I41 K87 F88 I107 F108Q40-V103 WeakPolarHBondContact CA-O 3.48Å; I41-V103 PolarHBondContact N-O 2.87Å; I41-V103 PolarHBondContact O-N 3.38Å; K87-V103 HydrophobicContact CG-CG1 4.28Å; K87-V103 HydrophobicContact CG-CG2 4.06Å; F88-V103 HydrophobicContact CD1-CG2 3.84Å; F88-V103 HydrophobicContact CD2-CG2 4.21Å; F88-V103 HydrophobicContact CE1-CB 4.36Å; F88-V103 HydrophobicContact CE1-CG2 3.64Å; F88-V103 HydrophobicContact CE2-CG2 4.01Å; F88-V103 HydrophobicContact CG-CG2 4.12Å; F88-V103 HydrophobicContact CZ-CB 4.19Å; F88-V103 HydrophobicContact CZ-CG2 3.72Å; V103-I107 HydrophobicContact CG1-CB 4.11Å; V103-I107 HydrophobicContact CG1-CG2 4.01Å; V103-F108 HydrophobicContact CB-CD2 4.47Å; V103-F108 HydrophobicContact CG1-CB 4.02Å; V103-F108 HydrophobicContact CG1-CD2 4.46Å
104E91.5Very high86.5Confident95 Ų9552.2 Ų52.244%0.44431%0.305SS..EExtended strand (participates in β ladder)trans-62.1138.8175.4-61.3-179.8168.500110.3D106 I107 F108E104-D106 VanDerWaalsContact C-N 3.25Å; E104-D106 VanDerWaalsContact CB-OD1 3.24Å; E104-D106 WeakPolarHBondContact CB-OD1 3.43Å; E104-D106 PolarHBondContact O-N 2.88Å; E104-I107 HydrophobicContact CB-CD1 4.12Å; E104-I107 HydrophobicContact CB-CG1 4.27Å; E104-I107 HydrophobicContact CG-CD1 4.48Å; E104-I107 PolarHBondContact O-N 3.48Å; E104-F108 WeakPolarHBondContact O-CB 3.43Å; E104-F108 PolarHBondContact O-N 2.95Å
105S91.1Very high87.5Confident14 Ų1448.8 Ų48.810%0.09828%0.281CS..Hα-helixtrans-60-32.7-170.8-178.70000113.8D39 R53 E109D39-S105 WeakPolarHBondContact O-CB 3.32Å; D39-S105 PolarHBondContact O-N 3.41Å; R53-S105 PolarHBondContact NH2-OG 2.97Å; R53-S105 VanDerWaalsContact NH2-OG 3.1Å; S105-E109 WeakPolarHBondContact O-CB 3.42Å; S105-E109 PolarHBondContact O-N 2.73Å
106D90.3Very high88.7Confident89 Ų8945.6 Ų45.648%0.47625%0.248SC..Hα-helixtrans-70.3-43.9177.562.5-31.7000111.6E104 F108 E109 N110E104-D106 VanDerWaalsContact C-N 3.25Å; E104-D106 VanDerWaalsContact CB-OD1 3.24Å; E104-D106 WeakPolarHBondContact CB-OD1 3.43Å; E104-D106 PolarHBondContact O-N 2.88Å; D106-F108 VanDerWaalsContact C-N 3.33Å; D106-F108 PolarHBondContact O-N 3.03Å; D106-E109 PolarHBondContact O-N 3.26Å; D106-N110 WeakPolarHBondContact O-CB 3.47Å; D106-N110 VanDerWaalsContact O-CG 3.22Å; D106-N110 PolarHBondContact O-N 3.29Å; D106-N110 PolarHBondContact O-ND2 3Å
107I92.3Very high89.7Confident55 Ų5545.9 Ų45.928%0.28224%0.243SC..Hα-helixtrans-61.5-45173.6-60.9176.7000110.1V103 E104 N110 I111V103-I107 HydrophobicContact CG1-CB 4.11Å; V103-I107 HydrophobicContact CG1-CG2 4.01Å; E104-I107 HydrophobicContact CB-CD1 4.12Å; E104-I107 HydrophobicContact CB-CG1 4.27Å; E104-I107 HydrophobicContact CG-CD1 4.48Å; E104-I107 PolarHBondContact O-N 3.48Å; I107-N110 PolarHBondContact O-N 3.42Å; I107-I111 HydrophobicContact CG2-CD1 4.2Å; I107-I111 WeakPolarHBondContact O-CG1 3.32Å; I107-I111 PolarHBondContact O-N 2.77Å; I107-I111 VanDerWaalsContact O-N 3.13Å
108F94.4Very high90.7Very high0 Ų044.5 Ų44.50%024%0.236CC..Hα-helixtrans-60.3-48.5177.3-170.8-79.3000111.5I41 A46 E49 A50 L84 F88 V103 E104 D106 N110 I111 V112I41-F108 HydrophobicContact CB-CD2 4.19Å; I41-F108 HydrophobicContact CB-CE2 4.45Å; I41-F108 HydrophobicContact CD1-CB 3.61Å; I41-F108 HydrophobicContact CD1-CD1 3.62Å; I41-F108 HydrophobicContact CD1-CD2 3.71Å; I41-F108 HydrophobicContact CD1-CE1 4.18Å; I41-F108 HydrophobicContact CD1-CE2 4.25Å; I41-F108 HydrophobicContact CD1-CG 3.36Å; I41-F108 HydrophobicContact CD1-CZ 4.47Å; I41-F108 HydrophobicContact CG2-CD2 4.02Å; I41-F108 HydrophobicContact CG2-CE2 3.78Å; I41-F108 HydrophobicContact CG2-CZ 4.32Å; A46-F108 HydrophobicContact CB-CE2 3.92Å; A46-F108 HydrophobicContact CB-CZ 4.24Å; A46-F108 WeakPolarHBondContact O-CZ 3.41Å; E49-F108 HydrophobicContact CB-CE1 3.79Å; E49-F108 HydrophobicContact CB-CZ 3.79Å; A50-F108 HydrophobicContact CB-CE1 4.18Å; A50-F108 HydrophobicContact CB-CZ 4.06Å; L84-F108 HydrophobicContact CD1-CD2 4.45Å; L84-F108 HydrophobicContact CD1-CE1 4.11Å; L84-F108 HydrophobicContact CD1-CE2 3.6Å; L84-F108 HydrophobicContact CD1-CZ 3.39Å; L84-F108 HydrophobicContact CD2-CD1 4.49Å; L84-F108 HydrophobicContact CD2-CD2 3.57Å; L84-F108 HydrophobicContact CD2-CE1 4.47Å; L84-F108 HydrophobicContact CD2-CE2 3.54Å; L84-F108 HydrophobicContact CD2-CG 4.06Å; L84-F108 HydrophobicContact CD2-CZ 4.01Å; L84-F108 HydrophobicContact CG-CE2 4.15Å; L84-F108 HydrophobicContact CG-CZ 4.34Å; F88-F108 HydrophobicContact CE2-CE2 4.31Å; V103-F108 HydrophobicContact CB-CD2 4.47Å; V103-F108 HydrophobicContact CG1-CB 4.02Å; V103-F108 HydrophobicContact CG1-CD2 4.46Å; E104-F108 WeakPolarHBondContact O-CB 3.43Å; E104-F108 PolarHBondContact O-N 2.95Å; D106-F108 VanDerWaalsContact C-N 3.33Å; D106-F108 PolarHBondContact O-N 3.03Å; F108-N110 VanDerWaalsContact C-N 3.34Å; F108-N110 PolarHBondContact O-N 3.32Å; F108-I111 PolarHBondContact O-N 3.13Å; F108-V112 HydrophobicContact CD1-CG2 3.79Å; F108-V112 HydrophobicContact CE1-CG2 3.56Å; F108-V112 HydrophobicContact CZ-CG2 4.42Å; F108-V112 WeakPolarHBondContact O-CG2 3.3Å; F108-V112 PolarHBondContact O-N 3.47Å
109E93.8Very high91.9Very high41 Ų4142.5 Ų42.519%0.19222%0.224CC..Hα-helixtrans-61-42.2179.2-174.7162.7-173.700112S105 D106 I111 V112 H113S105-E109 WeakPolarHBondContact O-CB 3.42Å; S105-E109 PolarHBondContact O-N 2.73Å; D106-E109 PolarHBondContact O-N 3.26Å; E109-I111 PolarHBondContact O-N 2.88Å; E109-V112 PolarHBondContact O-N 3.05Å; E109-H113 WeakPolarHBondContact CG-CE1 3.36Å; E109-H113 WeakPolarHBondContact CG-NE2 3.35Å; E109-H113 WeakPolarHBondContact O-CB 3.35Å; E109-H113 PolarHBondContact O-CD2 2.82Å; E109-H113 PolarHBondContact O-N 3.25Å; E109-H113 IonicContact OE1-CE1 3.74Å; E109-H113 PolarHBondContact OE1-CE1 3.41Å; E109-H113 VanDerWaalsContact OE1-CE1 3.29Å; E109-H113 IonicContact OE1-NE2 2.64Å
110N93.8Very high93.2Very high65 Ų6538.3 Ų38.335%0.34820%0.202SC..Hα-helixtrans-60.3-41.9175.3-75.4-36000112.8D106 I107 F108 K114D106-N110 WeakPolarHBondContact O-CB 3.47Å; D106-N110 VanDerWaalsContact O-CG 3.22Å; D106-N110 PolarHBondContact O-N 3.29Å; D106-N110 PolarHBondContact O-ND2 3Å; I107-N110 PolarHBondContact O-N 3.42Å; F108-N110 VanDerWaalsContact C-N 3.34Å; F108-N110 PolarHBondContact O-N 3.32Å; N110-K114 WeakPolarHBondContact O-CB 3.44Å; N110-K114 PolarHBondContact O-N 2.84Å
111I95.8Very high94Very high28 Ų2842 Ų4214%0.14421%0.206CC..Hα-helixtrans-63.7-50.3176.4-66.8165.6000110.1A83 L84 K87 I107 F108 E109 H113 K114 E115A83-I111 HydrophobicContact CB-CG2 3.92Å; L84-I111 HydrophobicContact CD2-CB 4.11Å; L84-I111 HydrophobicContact CD2-CD1 4.27Å; L84-I111 HydrophobicContact CD2-CG2 3.84Å; L84-I111 HydrophobicContact CG-CG2 4.18Å; K87-I111 HydrophobicContact CB-CD1 3.78Å; K87-I111 HydrophobicContact CD-CD1 4.13Å; K87-I111 HydrophobicContact CG-CD1 3.6Å; I107-I111 HydrophobicContact CG2-CD1 4.2Å; I107-I111 WeakPolarHBondContact O-CG1 3.32Å; I107-I111 PolarHBondContact O-N 2.77Å; I107-I111 VanDerWaalsContact O-N 3.13Å; F108-I111 PolarHBondContact O-N 3.13Å; E109-I111 PolarHBondContact O-N 2.88Å; I111-H113 VanDerWaalsContact C-N 3.31Å; I111-H113 PolarHBondContact O-N 2.85Å; I111-K114 PolarHBondContact O-N 3.47Å; I111-E115 HydrophobicContact CG2-CG 4.2Å; I111-E115 WeakPolarHBondContact O-CB 3.39Å; I111-E115 WeakPolarHBondContact O-CG 3.29Å; I111-E115 PolarHBondContact O-N 3.37Å
112V96.7Very high94.5Very high0 Ų048.5 Ų48.50%024%0.237CC..Hα-helixtrans-54.7-49.1179.4173.90000110.9A50 R53 A54 I80 L84 F108 E109 L116A50-V112 HydrophobicContact CB-CG2 4.08Å; R53-V112 HydrophobicContact CB-CG1 3.93Å; A54-V112 HydrophobicContact CB-CG1 4.06Å; I80-V112 HydrophobicContact CD1-CG1 4.24Å; I80-V112 HydrophobicContact CG2-CB 4.27Å; I80-V112 HydrophobicContact CG2-CG1 4.48Å; I80-V112 HydrophobicContact CG2-CG2 3.85Å; L84-V112 HydrophobicContact CD1-CG2 4.38Å; F108-V112 HydrophobicContact CD1-CG2 3.79Å; F108-V112 HydrophobicContact CE1-CG2 3.56Å; F108-V112 HydrophobicContact CZ-CG2 4.42Å; F108-V112 WeakPolarHBondContact O-CG2 3.3Å; F108-V112 PolarHBondContact O-N 3.47Å; E109-V112 PolarHBondContact O-N 3.05Å; V112-L116 WeakPolarHBondContact O-CB 3.49Å; V112-L116 PolarHBondContact O-N 3.17Å
113H94.9Very high94.7Very high16 Ų1648 Ų487%0.07424%0.235CC..Hα-helixtrans-66.9-43.6-176.8-69.5-178.4000112.4L25 V57 E109 I111 F117L25-H113 HydrophobicContact CD1-CB 4.25Å; V57-H113 WeakPolarHBondContact CG2-NE2 3.32Å; E109-H113 WeakPolarHBondContact CG-CE1 3.36Å; E109-H113 WeakPolarHBondContact CG-NE2 3.35Å; E109-H113 WeakPolarHBondContact O-CB 3.35Å; E109-H113 PolarHBondContact O-CD2 2.82Å; E109-H113 PolarHBondContact O-N 3.25Å; E109-H113 IonicContact OE1-CE1 3.74Å; E109-H113 PolarHBondContact OE1-CE1 3.41Å; E109-H113 VanDerWaalsContact OE1-CE1 3.29Å; E109-H113 IonicContact OE1-NE2 2.64Å; I111-H113 VanDerWaalsContact C-N 3.31Å; I111-H113 PolarHBondContact O-N 2.85Å; H113-F117 WeakPolarHBondContact O-CB 3.44Å; H113-F117 PolarHBondContact O-N 3.27Å
114K95.5Very high94.8Very high117 Ų11749.6 Ų49.651%0.50925%0.246SC..Hα-helixtrans-61.6-50178.6179.8-168.4168.6-147.40111.4N110 I111 F117 A118N110-K114 WeakPolarHBondContact O-CB 3.44Å; N110-K114 PolarHBondContact O-N 2.84Å; I111-K114 PolarHBondContact O-N 3.47Å; K114-F117 PolarHBondContact O-N 3.24Å; K114-A118 WeakPolarHBondContact O-CB 3.15Å; K114-A118 PolarHBondContact O-N 3.43Å
115E97.6Very high94.9Very high43 Ų4351.1 Ų51.120%0.20126%0.257CS..Hα-helixtrans-70.2-39.3-177.2-62.6-51.2136.600111.4I80 A83 I111 F117 A118 Y119I80-E115 HydrophobicContact CG1-CB 3.94Å; A83-E115 HydrophobicContact CB-CG 3.7Å; I111-E115 HydrophobicContact CG2-CG 4.2Å; I111-E115 WeakPolarHBondContact O-CB 3.39Å; I111-E115 WeakPolarHBondContact O-CG 3.29Å; I111-E115 PolarHBondContact O-N 3.37Å; E115-F117 PolarHBondContact O-N 3.28Å; E115-A118 PolarHBondContact O-N 2.94Å; E115-Y119 VanDerWaalsContact O-CB 3.29Å; E115-Y119 WeakPolarHBondContact O-CB 3.4Å; E115-Y119 PolarHBondContact O-N 2.89Å
116L97.1Very high95Very high0 Ų055.3 Ų55.30%028%0.276CS..Hα-helixtrans-57.1-48.3172.4176.264.4000111.7F16 A54 L58 A75 I80 V112 Y119 C120F16-L116 HydrophobicContact CE1-CG 4.3Å; F16-L116 HydrophobicContact CZ-CD2 4.03Å; F16-L116 HydrophobicContact CZ-CG 4.01Å; A54-L116 HydrophobicContact CB-CD2 3.95Å; L58-L116 HydrophobicContact CD2-CD2 4.11Å; L58-L116 HydrophobicContact CG-CD2 4.16Å; A75-L116 HydrophobicContact CB-CD1 3.51Å; I80-L116 HydrophobicContact CD1-CB 4.25Å; V112-L116 WeakPolarHBondContact O-CB 3.49Å; V112-L116 PolarHBondContact O-N 3.17Å; L116-Y119 PolarHBondContact O-N 2.6Å; L116-C120 WeakPolarHBondContact O-CB 3.45Å; L116-C120 PolarHBondContact O-N 3.07Å; L116-C120 PolarHBondContact O-SG 2.78Å
117F95.9Very high95.1Very high42 Ų4251.1 Ų51.118%0.18425%0.253CS..Hα-helixtrans-64.6-46.3179.7178.9-99.1000111.8F16 L17 V20 H113 K114 E115 Y119 C120 K121F16-F117 HydrophobicContact CE1-CD2 4.37Å; F16-F117 HydrophobicContact CZ-CB 4.33Å; F16-F117 HydrophobicContact CZ-CD2 4.3Å; L17-F117 HydrophobicContact CD2-CD2 4.08Å; L17-F117 HydrophobicContact CD2-CE2 3.86Å; V20-F117 HydrophobicContact CB-CD2 3.65Å; V20-F117 HydrophobicContact CB-CE2 3.43Å; V20-F117 VanDerWaalsContact CB-CE2 3.43Å; V20-F117 HydrophobicContact CB-CZ 4.18Å; V20-F117 HydrophobicContact CG1-CD1 4.31Å; V20-F117 HydrophobicContact CG1-CD2 3.49Å; V20-F117 VanDerWaalsContact CG1-CD2 3.49Å; V20-F117 HydrophobicContact CG1-CE1 4.28Å; V20-F117 HydrophobicContact CG1-CE2 3.46Å; V20-F117 VanDerWaalsContact CG1-CE2 3.46Å; V20-F117 HydrophobicContact CG1-CG 3.92Å; V20-F117 HydrophobicContact CG1-CZ 3.86Å; V20-F117 HydrophobicContact CG2-CD2 3.8Å; V20-F117 HydrophobicContact CG2-CE2 4.05Å; H113-F117 WeakPolarHBondContact O-CB 3.44Å; H113-F117 PolarHBondContact O-N 3.27Å; K114-F117 PolarHBondContact O-N 3.24Å; E115-F117 PolarHBondContact O-N 3.28Å; F117-Y119 VanDerWaalsContact C-N 3.34Å; F117-Y119 PolarHBondContact O-N 3.16Å; F117-C120 PolarHBondContact O-N 2.93Å; F117-K121 HydrophobicContact CE1-CD 3.95Å; F117-K121 HydrophobicContact CZ-CD 4.2Å; F117-K121 VanDerWaalsContact O-CB 3.29Å; F117-K121 WeakPolarHBondContact O-CB 3.39Å; F117-K121 PolarHBondContact O-N 3.43Å
118A96.2Very high95.2Very high43 Ų4350.5 Ų50.536%0.35525%0.252SS..Hα-helixtrans-58.4-46.1177.900000111.5K114 E115 K121 Q122K114-A118 WeakPolarHBondContact O-CB 3.15Å; K114-A118 PolarHBondContact O-N 3.43Å; E115-A118 PolarHBondContact O-N 2.94Å; A118-K121 PolarHBondContact O-N 2.9Å; A118-Q122 WeakPolarHBondContact O-CB 3.4Å; A118-Q122 PolarHBondContact O-N 3.17Å
119Y96.5Very high95Very high18 Ų1858.1 Ų58.17%0.07129%0.285CS..Hα-helixtrans-60.3-50176.5178.9-112.2000112.2L71 A75 Q78 E115 L116 F117 K121 Q122 H123 L127L71-Y119 HydrophobicContact CD1-CE1 4.32Å; A75-Y119 HydrophobicContact CB-CD1 3.69Å; A75-Y119 HydrophobicContact CB-CE1 4.13Å; A75-Y119 HydrophobicContact CB-CG 4.5Å; Q78-Y119 HydrophobicContact CB-CD2 4.17Å; Q78-Y119 HydrophobicContact CB-CE2 3.68Å; Q78-Y119 HydrophobicContact CG-CE2 3.97Å; E115-Y119 VanDerWaalsContact O-CB 3.29Å; E115-Y119 WeakPolarHBondContact O-CB 3.4Å; E115-Y119 PolarHBondContact O-N 2.89Å; L116-Y119 PolarHBondContact O-N 2.6Å; F117-Y119 VanDerWaalsContact C-N 3.34Å; F117-Y119 PolarHBondContact O-N 3.16Å; Y119-K121 VanDerWaalsContact C-N 3.32Å; Y119-K121 PolarHBondContact O-N 2.69Å; Y119-Q122 PolarHBondContact O-N 3.24Å; Y119-H123 AromaticContact CD2-CD2 3.56Å; Y119-H123 HydrophobicContact CE2-CB 4.43Å; Y119-H123 AromaticContact CE2-CD2 3.67Å; Y119-H123 WeakPolarHBondContact O-CB 3.16Å; Y119-H123 PolarHBondContact O-CD2 2.96Å; Y119-H123 PolarHBondContact O-N 3.12Å; Y119-L127 HydrophobicContact CD1-CD1 4.43Å; Y119-L127 HydrophobicContact CE1-CD1 4.14Å; Y119-L127 HydrophobicContact CE1-CD2 3.78Å; Y119-L127 HydrophobicContact CE1-CG 4.46Å
120C96.1Very high94.9Very high0 Ų057.8 Ų57.80%029%0.287CS..Hα-helixtrans-61.7-40179.1-68.50000112.2L13 F16 L17 L116 F117 S124L13-C120 HydrophobicContact CD1-CB 3.97Å; F16-C120 HydrophobicContact CD1-CB 4.25Å; F16-C120 HydrophobicContact CE1-CB 3.88Å; L17-C120 HydrophobicContact CD2-CB 3.83Å; L116-C120 WeakPolarHBondContact O-CB 3.45Å; L116-C120 PolarHBondContact O-N 3.07Å; L116-C120 PolarHBondContact O-SG 2.78Å; F117-C120 PolarHBondContact O-N 2.93Å; C120-S124 WeakPolarHBondContact O-CA 3.45Å; C120-S124 WeakPolarHBondContact O-CB 3.4Å; C120-S124 PolarHBondContact O-N 3.3Å
121K95.7Very high94.7Very high139 Ų13955.4 Ų55.460%0.60427%0.273SS*.Hα-helixtrans-67.3-43.8179.8-176.1174.9-178.8174.50111.7L17 F117 A118 Y119L17-K121 HydrophobicContact CD2-CB 3.98Å; F117-K121 HydrophobicContact CE1-CD 3.95Å; F117-K121 HydrophobicContact CZ-CD 4.2Å; F117-K121 VanDerWaalsContact O-CB 3.29Å; F117-K121 WeakPolarHBondContact O-CB 3.39Å; F117-K121 PolarHBondContact O-N 3.43Å; A118-K121 PolarHBondContact O-N 2.9Å; Y119-K121 VanDerWaalsContact C-N 3.32Å; Y119-K121 PolarHBondContact O-N 2.69Å
122Q96Very high94.4Very high151 Ų15156.9 Ų56.971%0.70629%0.29SS*.Hα-helixtrans-70.8-36-179-178.5175.7-28.200112.3A118 Y119A118-Q122 WeakPolarHBondContact O-CB 3.4Å; A118-Q122 PolarHBondContact O-N 3.17Å; Y119-Q122 PolarHBondContact O-N 3.24Å
123H95.1Very high93.9Very high48 Ų4859 Ų5922%0.22231%0.305CS..Hα-helixtrans-112.315.4-170.6-63.8-84.7000114.5Y119 N125 E126 L127Y119-H123 AromaticContact CD2-CD2 3.56Å; Y119-H123 HydrophobicContact CE2-CB 4.43Å; Y119-H123 AromaticContact CE2-CD2 3.67Å; Y119-H123 WeakPolarHBondContact O-CB 3.16Å; Y119-H123 PolarHBondContact O-CD2 2.96Å; Y119-H123 PolarHBondContact O-N 3.12Å; H123-N125 PolarHBondContact O-N 3.25Å; H123-E126 HydrophobicContact CB-CB 4.47Å; H123-E126 IonicContact CE1-OE2 3.33Å; H123-E126 IonicContact CG-OE2 3.57Å; H123-E126 IonicContact ND1-OE2 2.99Å; H123-E126 PolarHBondContact ND1-OE2 3.45Å; H123-E126 WeakPolarHBondContact O-CB 3.4Å; H123-E126 PolarHBondContact O-N 3.19Å; H123-L127 HydrophobicContact CB-CD1 4.16Å; H123-L127 HydrophobicContact CB-CG 4.06Å; H123-L127 WeakPolarHBondContact O-CB 3.39Å; H123-L127 WeakPolarHBondContact O-CG 3.02Å; H123-L127 PolarHBondContact O-N 3.38Å
124S94Very high93.4Very high37 Ų3759.4 Ų59.426%0.25931%0.306SS..Hα-helixtrans-50.2-47.9-171.660.20000115.2C120 T128C120-S124 WeakPolarHBondContact O-CA 3.45Å; C120-S124 WeakPolarHBondContact O-CB 3.4Å; C120-S124 PolarHBondContact O-N 3.3Å; S124-T128 PolarHBondContact O-N 2.61Å; S124-T128 VanDerWaalsContact O-N 3.09Å; S124-T128 PolarHBondContact O-OG1 3.01Å
125N93.3Very high92.9Very high127 Ų12756.5 Ų56.568%0.67930%0.298SS*.Hα-helixtrans-67.5-38.3178.4-73.5-32.3000112.6H123 K129H123-N125 PolarHBondContact O-N 3.25Å; N125-K129 WeakPolarHBondContact O-CG 3.24Å; N125-K129 PolarHBondContact O-N 3.42Å
126E92.9Very high92.2Very high103 Ų10358.9 Ų58.948%0.48132%0.319SS..Hα-helixtrans-69.2-47.2177.9-176.2-176.7176.600110.5H123 T128 K129 C130H123-E126 HydrophobicContact CB-CB 4.47Å; H123-E126 IonicContact CE1-OE2 3.33Å; H123-E126 IonicContact CG-OE2 3.57Å; H123-E126 IonicContact ND1-OE2 2.99Å; H123-E126 PolarHBondContact ND1-OE2 3.45Å; H123-E126 WeakPolarHBondContact O-CB 3.4Å; H123-E126 PolarHBondContact O-N 3.19Å; E126-T128 VanDerWaalsContact C-N 3.3Å; E126-T128 PolarHBondContact O-N 2.99Å; E126-K129 PolarHBondContact O-N 3.48Å; E126-C130 WeakPolarHBondContact O-CB 3.28Å; E126-C130 PolarHBondContact O-N 3.13Å; E126-C130 PolarHBondContact O-SG 3.19Å; E126-C130 VanDerWaalsContact O-SG 3.34Å
127L94.4Very high91.3Very high1 Ų164.9 Ų64.91%0.00534%0.342CS..Hα-helixtrans-55.6-44.1176.2-73.9170.9000111.8F9 L13 W70 L71 Y119 H123 K129 C130 H131F9-L127 HydrophobicContact CE1-CB 4.38Å; F9-L127 HydrophobicContact CZ-CB 4.45Å; L13-L127 HydrophobicContact CD2-CB 4.25Å; W70-L127 HydrophobicContact CH2-CD2 4.16Å; W70-L127 HydrophobicContact CZ3-CD2 4.28Å; L71-L127 HydrophobicContact CD1-CD1 4Å; L71-L127 HydrophobicContact CD1-CD2 3.87Å; Y119-L127 HydrophobicContact CD1-CD1 4.43Å; Y119-L127 HydrophobicContact CE1-CD1 4.14Å; Y119-L127 HydrophobicContact CE1-CD2 3.78Å; Y119-L127 HydrophobicContact CE1-CG 4.46Å; H123-L127 HydrophobicContact CB-CD1 4.16Å; H123-L127 HydrophobicContact CB-CG 4.06Å; H123-L127 WeakPolarHBondContact O-CB 3.39Å; H123-L127 WeakPolarHBondContact O-CG 3.02Å; H123-L127 PolarHBondContact O-N 3.38Å; L127-K129 VanDerWaalsContact C-N 3.33Å; L127-K129 PolarHBondContact O-N 3.09Å; L127-C130 PolarHBondContact O-N 3.3Å; L127-H131 WeakPolarHBondContact O-CB 3.42Å; L127-H131 PolarHBondContact O-N 2.89Å
128T93.2Very high90.5Very high42 Ų4263.6 Ų63.626%0.25834%0.338SS..Hα-helixtrans-61.4-41.4177.4-56.80000111.6S124 E126 A132S124-T128 PolarHBondContact O-N 2.61Å; S124-T128 VanDerWaalsContact O-N 3.09Å; S124-T128 PolarHBondContact O-OG1 3.01Å; E126-T128 VanDerWaalsContact C-N 3.3Å; E126-T128 PolarHBondContact O-N 2.99Å; T128-A132 WeakPolarHBondContact O-CB 3.49Å; T128-A132 PolarHBondContact O-N 3.4Å; T128-A132 VanDerWaalsContact O-N 3.09Å
129K91.1Very high89.4Confident160 Ų16064.1 Ų64.170%0.69634%0.342SS*.Hα-helixtrans-69.6-44.4177-69.3175.2-177.8179.80112N125 E126 L127 H131 A132 S133N125-K129 WeakPolarHBondContact O-CG 3.24Å; N125-K129 PolarHBondContact O-N 3.42Å; E126-K129 PolarHBondContact O-N 3.48Å; L127-K129 VanDerWaalsContact C-N 3.33Å; L127-K129 PolarHBondContact O-N 3.09Å; K129-H131 VanDerWaalsContact C-N 3.35Å; K129-A132 PolarHBondContact O-N 3.02Å; K129-S133 WeakPolarHBondContact O-CB 3.09Å; K129-S133 PolarHBondContact O-N 2.92Å
130C90Very high88.6Confident34 Ų3468 Ų6823%0.2337%0.369CS..Hα-helixtrans-62.3-42.9177.9-70.80000111.5W70 E126 L127 S133 W134W70-C130 HydrophobicContact CH2-CB 4.13Å; W70-C130 HydrophobicContact CZ2-CB 4.18Å; E126-C130 WeakPolarHBondContact O-CB 3.28Å; E126-C130 PolarHBondContact O-N 3.13Å; E126-C130 PolarHBondContact O-SG 3.19Å; E126-C130 VanDerWaalsContact O-SG 3.34Å; L127-C130 PolarHBondContact O-N 3.3Å; C130-S133 PolarHBondContact O-N 3.35Å; C130-W134 WeakPolarHBondContact O-CB 3.23Å; C130-W134 PolarHBondContact O-N 2.94Å
131H90.4Very high87.9Confident14 Ų1472.1 Ų72.17%0.06539%0.389CS..Hα-helixtrans-63.5-48.1176.8179.7-90.1000111.5F9 D67 W70 L127 K129 S133 W134 V135F9-H131 WeakPolarHBondContact CB-CE1 3.4Å; F9-H131 WeakPolarHBondContact CB-ND1 3.29Å; F9-H131 HydrophobicContact CD1-CB 3.66Å; F9-H131 AromaticContact CD1-CG 3.6Å; F9-H131 AromaticContact CD1-ND1 3.75Å; F9-H131 HydrophobicContact CD2-CB 4.44Å; F9-H131 AromaticContact CD2-CD2 3.57Å; F9-H131 AromaticContact CD2-CE1 4Å; F9-H131 AromaticContact CD2-CG 3.76Å; F9-H131 AromaticContact CD2-NE2 3.72Å; F9-H131 HydrophobicContact CE1-CB 3.66Å; F9-H131 AromaticContact CE1-CG 3.99Å; F9-H131 HydrophobicContact CE2-CB 4.43Å; F9-H131 AromaticContact CE2-CD2 3.88Å; F9-H131 HydrophobicContact CG-CB 4.08Å; F9-H131 AromaticContact CG-CD2 3.78Å; F9-H131 AromaticContact CG-CE1 3.68Å; F9-H131 AromaticContact CG-CG 3.48Å; F9-H131 VanDerWaalsContact CG-CG 3.48Å; F9-H131 AromaticContact CG-ND1 3.45Å; F9-H131 WeakPolarHBondContact CG-ND1 3.34Å; F9-H131 AromaticContact CG-NE2 3.88Å; F9-H131 HydrophobicContact CZ-CB 4.07Å; D67-H131 IonicContact OD1-CD2 2.69Å; D67-H131 IonicContact OD1-CE1 3.51Å; D67-H131 PolarHBondContact OD1-CE1 3.33Å; D67-H131 IonicContact OD1-NE2 3.76Å; D67-H131 PolarHBondContact OD1-NE2 2.86Å; W70-H131 HydrophobicContact CE3-CB 4.49Å; W70-H131 AromaticContact CE3-CD2 3.86Å; W70-H131 HydrophobicContact CH2-CB 3.85Å; W70-H131 HydrophobicContact CZ2-CB 4.38Å; W70-H131 HydrophobicContact CZ3-CB 3.91Å; L127-H131 WeakPolarHBondContact O-CB 3.42Å; L127-H131 PolarHBondContact O-N 2.89Å; K129-H131 VanDerWaalsContact C-N 3.35Å; H131-S133 VanDerWaalsContact C-N 3.25Å; H131-S133 PolarHBondContact O-N 3.13Å; H131-W134 CarbonylContact O-C 3.5Å; H131-W134 WeakPolarHBondContact O-CA 3.01Å; H131-W134 WeakPolarHBondContact O-CB 3.39Å; H131-W134 PolarHBondContact O-N 2.94Å; H131-V135 WeakPolarHBondContact CE1-CG2 3.39Å; H131-V135 WeakPolarHBondContact O-CG2 3.34Å; H131-V135 PolarHBondContact O-N 3.02Å
132A89.1Confident87.4Confident59 Ų5966.3 Ų66.349%0.48837%0.365SS..Hα-helixtrans-57.8-40175.800000112.3T128 K129 S136T128-A132 WeakPolarHBondContact O-CB 3.49Å; T128-A132 PolarHBondContact O-N 3.4Å; T128-A132 VanDerWaalsContact O-N 3.09Å; K129-A132 PolarHBondContact O-N 3.02Å; A132-S136 WeakPolarHBondContact O-CB 3.49Å; A132-S136 PolarHBondContact O-N 2.83Å
133S86.7Confident87.2Confident46 Ų4659.6 Ų59.632%0.32234%0.335SS..Hα-helixtrans-67.7-36.7175.1-175.90000113K129 C130 H131 R137K129-S133 WeakPolarHBondContact O-CB 3.09Å; K129-S133 PolarHBondContact O-N 2.92Å; C130-S133 PolarHBondContact O-N 3.35Å; H131-S133 VanDerWaalsContact C-N 3.25Å; H131-S133 PolarHBondContact O-N 3.13Å; S133-R137 WeakPolarHBondContact O-CG 3.48Å; S133-R137 PolarHBondContact O-N 2.97Å; S133-R137 PolarHBondContact O-NE 2.86Å; S133-R137 PolarHBondContact OG-NH1 3.4Å; S133-R137 PolarHBondContact OG-NH2 3.29Å; S133-R137 VanDerWaalsContact OG-NH2 3.11Å
134W84.5Confident87.1Confident24 Ų2460.5 Ų60.59%0.09134%0.343CS..Hα-helixtrans-66.4-50.2174.4175.587.2000111.1W70 C130 H131 S136 R137 C138 D169W70-W134 AromaticContact CD1-CD1 3.74Å; W70-W134 AromaticContact CD1-CD2 3.65Å; W70-W134 AromaticContact CD1-CE2 3.52Å; W70-W134 AromaticContact CD1-CG 3.82Å; W70-W134 AromaticContact CD1-NE1 3.52Å; W70-W134 HydrophobicContact CG-CD2 4.35Å; W70-W134 AromaticContact NE1-CD1 3.46Å; W70-W134 AromaticContact NE1-CD2 3.79Å; W70-W134 AromaticContact NE1-CG 3.46Å; W70-W134 AromaticContact NE1-NE1 3.76Å; C130-W134 WeakPolarHBondContact O-CB 3.23Å; C130-W134 PolarHBondContact O-N 2.94Å; H131-W134 CarbonylContact O-C 3.5Å; H131-W134 WeakPolarHBondContact O-CA 3.01Å; H131-W134 WeakPolarHBondContact O-CB 3.39Å; H131-W134 PolarHBondContact O-N 2.94Å; W134-S136 VanDerWaalsContact C-N 3.33Å; W134-S136 PolarHBondContact O-N 3.38Å; W134-R137 PolarHBondContact O-N 3.09Å; W134-R137 VanDerWaalsContact O-N 3.08Å; W134-C138 HydrophobicContact CD2-CB 4.43Å; W134-C138 HydrophobicContact CZ2-CB 4.49Å; W134-C138 WeakPolarHBondContact O-CB 3.31Å; W134-C138 PolarHBondContact O-N 3.29Å; W134-D169 PolarHBondContact NE1-OD2 3.4Å
135V84.9Confident87.2Confident56 Ų5660.9 Ų60.934%0.33934%0.34SS..Hα-helixtrans-54.9-48.8175.8173.60000110.6H131 R137 A139H131-V135 WeakPolarHBondContact CE1-CG2 3.39Å; H131-V135 WeakPolarHBondContact O-CG2 3.34Å; H131-V135 PolarHBondContact O-N 3.02Å; V135-R137 PolarHBondContact O-N 3.45Å; V135-R137 VanDerWaalsContact O-N 3.16Å; V135-A139 HydrophobicContact CG1-CB 4.09Å; V135-A139 WeakPolarHBondContact O-CB 3.12Å; V135-A139 PolarHBondContact O-N 2.86Å
136S84Confident87.2Confident93 Ų9355.7 Ų55.765%0.6531%0.312SS*.Hα-helixtrans-61.9-25.1-178.7-177.50000114.2A132 W134A132-S136 WeakPolarHBondContact O-CB 3.49Å; A132-S136 PolarHBondContact O-N 2.83Å; W134-S136 VanDerWaalsContact C-N 3.33Å; W134-S136 PolarHBondContact O-N 3.38Å
137R78.1Confident87.3Confident125 Ų12552.5 Ų52.547%0.47230%0.3SS..Hα-helixtrans-99.9-42.8-177-71.5-171.1-61.7-121.8-5.2113.2S133 W134 V135 Q141S133-R137 WeakPolarHBondContact O-CG 3.48Å; S133-R137 PolarHBondContact O-N 2.97Å; S133-R137 PolarHBondContact O-NE 2.86Å; S133-R137 PolarHBondContact OG-NH1 3.4Å; S133-R137 PolarHBondContact OG-NH2 3.29Å; S133-R137 VanDerWaalsContact OG-NH2 3.11Å; W134-R137 PolarHBondContact O-N 3.09Å; W134-R137 VanDerWaalsContact O-N 3.08Å; V135-R137 PolarHBondContact O-N 3.45Å; V135-R137 VanDerWaalsContact O-N 3.16Å; R137-Q141 PolarHBondContact O-NE2 3.15Å
138C77.1Confident87.4Confident16 Ų1653.6 Ų53.611%0.10831%0.306CS..Hα-helixtrans-92.2-35-172.1-62.40000112.2W134 P140 Q141 V142W134-C138 HydrophobicContact CD2-CB 4.43Å; W134-C138 HydrophobicContact CZ2-CB 4.49Å; W134-C138 WeakPolarHBondContact O-CB 3.31Å; W134-C138 PolarHBondContact O-N 3.29Å; C138-P140 VanDerWaalsContact C-CD 3.42Å; C138-P140 VanDerWaalsContact C-N 3.33Å; C138-Q141 PolarHBondContact O-N 2.89Å; C138-V142 HydrophobicContact CB-CG2 4.22Å; C138-V142 WeakPolarHBondContact O-CB 3.25Å; C138-V142 WeakPolarHBondContact O-CG2 3.33Å; C138-V142 PolarHBondContact O-N 2.97Å
139A74.4Confident87.4Confident53 Ų5353.1 Ų53.144%0.43830%0.304SS..THydrogen-bonded Turntrans-57.9-34.3-175.500000114.8V135 Q141V135-A139 HydrophobicContact CG1-CB 4.09Å; V135-A139 WeakPolarHBondContact O-CB 3.12Å; V135-A139 PolarHBondContact O-N 2.86Å; A139-Q141 PolarHBondContact O-N 3.46Å
140P78.6Confident87.4Confident99 Ų9948.1 Ų48.164%0.64328%0.283SS*.THydrogen-bonded Turntrans-68.5-17.1175.2-22.134.8000114.6C138C138-P140 VanDerWaalsContact C-CD 3.42Å; C138-P140 VanDerWaalsContact C-N 3.33Å
141Q81.5Confident87.5Confident87 Ų8750.8 Ų50.841%0.40729%0.291SS..THydrogen-bonded Turntrans-112.1-25.8-173.3-60.2-176.759.600112.7R137 C138 A139 E178 P180R137-Q141 PolarHBondContact O-NE2 3.15Å; C138-Q141 PolarHBondContact O-N 2.89Å; A139-Q141 PolarHBondContact O-N 3.46Å; Q141-E178 PolarHBondContact OE1-O 3.18Å; Q141-P180 HydrophobicContact CB-CG 3.4Å; Q141-P180 VanDerWaalsContact CB-CG 3.4Å; Q141-P180 HydrophobicContact CG-CG 4.33Å
142V86Confident87.5Confident18 Ų1851.8 Ų51.811%0.10930%0.297CS..SBendtrans-82.1124.4175.7171.60000109.3C138 P165 P180C138-V142 HydrophobicContact CB-CG2 4.22Å; C138-V142 WeakPolarHBondContact O-CB 3.25Å; C138-V142 WeakPolarHBondContact O-CG2 3.33Å; C138-V142 PolarHBondContact O-N 2.97Å; V142-P165 HydrophobicContact CG1-CB 3.78Å; V142-P165 WeakPolarHBondContact CG1-O 3.05Å; V142-P180 HydrophobicContact CG2-CB 4.27Å
143P92.3Very high87.7Confident10 Ų1055.5 Ų55.57%0.06530%0.304CS..PPolyproline II helixtrans-56.4138.4176.1-25.335.6000112.4S182 F184 V252 I405 Y406P143-S182 VanDerWaalsContact CD-OG 3.25Å; P143-S182 WeakPolarHBondContact CD-OG 2.95Å; P143-F184 HydrophobicContact CB-CZ 4.46Å; P143-V252 HydrophobicContact CG-CB 4.11Å; P143-V252 HydrophobicContact CG-CG1 3.67Å; P143-I405 HydrophobicContact CB-CG2 3.4Å; P143-I405 VanDerWaalsContact CB-CG2 3.4Å; P143-I405 HydrophobicContact CG-CG2 4.21Å; P143-Y406 WeakPolarHBondContact CB-O 3.13Å
144T92.6Very high87.9Confident66 Ų6659 Ų5941%0.40531%0.31SS..EExtended strand (participates in β ladder)trans-76.6155.6165.666.80000109.8Y406 K410T144-Y406 WeakPolarHBondContact O-CD2 3.43Å; T144-Y406 PolarHBondContact O-N 2.63Å; T144-Y406 WeakPolarHBondContact OG1-CB 3.29Å; T144-Y406 WeakPolarHBondContact OG1-CD2 3.3Å; T144-K410 WeakPolarHBondContact OG1-CE 3.33Å
145F95Very high88.2Confident45 Ų4569.5 Ų69.520%0.19735%0.349CS..EExtended strand (participates in β ladder)trans-153.3160.9-175.659.4-93.6000112.3L65 V147 V163 P165 F184 V404 I405L65-F145 HydrophobicContact CD2-CE2 3.99Å; L65-F145 HydrophobicContact CD2-CZ 4.39Å; F145-V147 HydrophobicContact CD2-CG2 3.94Å; F145-V147 HydrophobicContact CE2-CG2 4.33Å; F145-V163 HydrophobicContact CD1-CG1 4.19Å; F145-V163 HydrophobicContact CD2-CG1 4.26Å; F145-V163 HydrophobicContact CE1-CG1 3.7Å; F145-V163 HydrophobicContact CE2-CG1 3.81Å; F145-V163 HydrophobicContact CG-CG1 4.45Å; F145-V163 HydrophobicContact CZ-CG1 3.5Å; F145-V163 VanDerWaalsContact CZ-CG1 3.5Å; F145-P165 HydrophobicContact CE1-CG 4.37Å; F145-F184 HydrophobicContact CB-CE1 3.92Å; F145-F184 AromaticContact CD1-CE1 3.59Å; F145-F184 HydrophobicContact CD1-CE1 3.59Å; F145-F184 HydrophobicContact CD1-CZ 4.02Å; F145-F184 HydrophobicContact CE1-CE1 4.25Å; F145-F184 AromaticContact CG-CE1 3.75Å; F145-F184 HydrophobicContact CG-CE1 3.75Å; F145-F184 HydrophobicContact CG-CZ 4.5Å; F145-V404 CarbonylContact C-O 3.4Å; F145-V404 WeakPolarHBondContact CA-O 3.35Å; F145-V404 WeakPolarHBondContact CB-O 3.3Å; F145-I405 HydrophobicContact CB-CG1 4.11Å
146E95Very high88.5Confident18 Ų1874.3 Ų74.38%0.08436%0.361CS..EExtended strand (participates in β ladder)trans-129.1141.6174.4-66.2174-17400108.5D381 L382 C383 I403 V404 Y406 K410E146-D381 WeakPolarHBondContact CB-OD1 3.42Å; E146-D381 VanDerWaalsContact CD-CG 3.49Å; E146-D381 WeakPolarHBondContact CG-OD1 3.45Å; E146-D381 VanDerWaalsContact OE2-CG 3.23Å; E146-L382 WeakPolarHBondContact OE2-CB 3.33Å; E146-L382 PolarHBondContact OE2-N 2.99Å; E146-C383 HydrophobicContact CB-CB 3.55Å; E146-C383 PolarHBondContact OE2-N 3.39Å; E146-C383 VanDerWaalsContact OE2-N 3.07Å; E146-I403 WeakPolarHBondContact O-CA 3.31Å; E146-V404 HydrophobicContact CB-CB 4.49Å; E146-V404 PolarHBondContact N-O 3.26Å; E146-V404 PolarHBondContact O-N 3.36Å; E146-Y406 VanDerWaalsContact CD-OH 3.31Å; E146-Y406 HydrophobicContact CG-CE2 4.08Å; E146-Y406 PolarHBondContact OE1-OH 2.98Å; E146-Y406 PolarHBondContact OE2-OH 2.99Å; E146-K410 IonicContact OE1-NZ 2.84Å; E146-K410 PolarHBondContact OE1-NZ 2.95Å
147V95.1Very high88.9Confident37 Ų3772.5 Ų72.522%0.22435%0.345CS..EExtended strand (participates in β ladder)trans-134.2132.6-177.8-174.30000109.8F145 Y161 V163 L402 I403F145-V147 HydrophobicContact CD2-CG2 3.94Å; F145-V147 HydrophobicContact CE2-CG2 4.33Å; V147-Y161 HydrophobicContact CB-CE2 4.48Å; V147-Y161 HydrophobicContact CG1-CD1 4.02Å; V147-Y161 HydrophobicContact CG1-CD2 3.86Å; V147-Y161 HydrophobicContact CG1-CE1 3.98Å; V147-Y161 HydrophobicContact CG1-CE2 3.8Å; V147-Y161 HydrophobicContact CG1-CG 3.96Å; V147-Y161 HydrophobicContact CG2-CE2 4.42Å; V147-V163 HydrophobicContact CG2-CG2 4.27Å; V147-L402 WeakPolarHBondContact CA-O 3.27Å; V147-I403 HydrophobicContact CG1-CG1 4.23Å; V147-I403 HydrophobicContact CG2-CG1 4.2Å; V147-I403 HydrophobicContact CG2-CG2 4.11Å
148V94.8Very high89.7Confident24 Ų2468.4 Ų68.415%0.14533%0.331CS..EExtended strand (participates in β ladder)trans-124.5136.4164-61.10000108.7F150 C383 A387 L400 T401 L402V148-F150 HydrophobicContact CB-CD1 4.42Å; V148-F150 HydrophobicContact CB-CE1 4.15Å; V148-F150 HydrophobicContact CG2-CE1 4.25Å; V148-C383 HydrophobicContact CG1-CB 4.23Å; V148-C383 VanDerWaalsContact CG2-SG 3.55Å; V148-A387 HydrophobicContact CG2-CB 3.65Å; V148-L400 HydrophobicContact CG2-CD2 4.21Å; V148-T401 CarbonylContact O-C 3.53Å; V148-T401 WeakPolarHBondContact O-CA 3.28Å; V148-L402 HydrophobicContact CG2-CB 3.87Å; V148-L402 PolarHBondContact N-O 2.86Å; V148-L402 PolarHBondContact O-N 2.84Å
149S94.6Very high90.7Very high31 Ų3167.9 Ų67.922%0.21733%0.327CS..EExtended strand (participates in β ladder)trans-149.9120174.6-177.70000108.7L400 T401S149-L400 CarbonylContact C-O 3.51Å; S149-L400 VanDerWaalsContact CA-O 3.26Å; S149-L400 WeakPolarHBondContact CA-O 3.46Å; S149-T401 WeakPolarHBondContact CB-OG1 3.42Å; S149-T401 PolarHBondContact OG-OG1 3.46Å
150F90.9Very high91.7Very high55 Ų5567.8 Ų67.824%0.24132%0.317CS..EExtended strand (participates in β ladder)trans-155.7157.6-179.152.9-92.7000112.7V148 N152 A387 I391 L400V148-F150 HydrophobicContact CB-CD1 4.42Å; V148-F150 HydrophobicContact CB-CE1 4.15Å; V148-F150 HydrophobicContact CG2-CE1 4.25Å; F150-N152 VanDerWaalsContact C-N 3.29Å; F150-N152 HydrophobicContact CD2-CB 4.1Å; F150-N152 HydrophobicContact CE2-CB 4.12Å; F150-N152 PolarHBondContact O-N 3Å; F150-A387 HydrophobicContact CE1-CB 4.07Å; F150-A387 HydrophobicContact CZ-CB 4.08Å; F150-I391 HydrophobicContact CE2-CD1 3.4Å; F150-I391 VanDerWaalsContact CE2-CD1 3.4Å; F150-I391 HydrophobicContact CE2-CG1 4.33Å; F150-I391 HydrophobicContact CZ-CD1 3.57Å; F150-I391 HydrophobicContact CZ-CG1 4.48Å; F150-L400 HydrophobicContact CE1-CD2 4.01Å; F150-L400 HydrophobicContact CE2-CB 3.93Å; F150-L400 HydrophobicContact CE2-CD1 4.4Å; F150-L400 HydrophobicContact CZ-CB 3.99Å; F150-L400 HydrophobicContact CZ-CD1 4.01Å; F150-L400 HydrophobicContact CZ-CD2 3.79Å; F150-L400 HydrophobicContact CZ-CG 4.14Å; F150-L400 PolarHBondContact N-O 2.86Å; F150-L400 PolarHBondContact O-N 3.4Å
151K90.8Very high92.6Very high91 Ų9166.7 Ų66.740%0.39630%0.3SS..  trans-62.4-29.6-176-167.2-176.967.9141.90115.3Q153 R154 R156 N157 N399K151-Q153 PolarHBondContact O-N 3.09Å; K151-R154 WeakPolarHBondContact CD-O 3.19Å; K151-R154 WeakPolarHBondContact CE-O 3.44Å; K151-R154 HydrophobicContact CG-CB 4.36Å; K151-R154 WeakPolarHBondContact CG-O 3.31Å; K151-R154 PolarHBondContact NZ-O 3Å; K151-R154 PolarHBondContact O-N 2.8Å; K151-R156 VanDerWaalsContact CG-C 3.46Å; K151-R156 WeakPolarHBondContact CG-O 3.39Å; K151-N157 HydrophobicContact CB-CB 3.96Å; K151-N157 HydrophobicContact CG-CB 4.18Å; K151-N399 WeakPolarHBondContact CA-ND2 3.34Å; K151-N399 PolarHBondContact O-ND2 3.48Å
152N91.1Very high93.3Very high35 Ų3562.8 Ų62.819%0.18728%0.283CS..THydrogen-bonded Turntrans52-130.3-167.7-162.95.5000111.4F150 S396 T397 D398F150-N152 VanDerWaalsContact C-N 3.29Å; F150-N152 HydrophobicContact CD2-CB 4.1Å; F150-N152 HydrophobicContact CE2-CB 4.12Å; F150-N152 PolarHBondContact O-N 3Å; N152-S396 PolarHBondContact ND2-O 2.94Å; N152-T397 VanDerWaalsContact ND2-C 3.28Å; N152-T397 VanDerWaalsContact ND2-CA 3.35Å; N152-T397 WeakPolarHBondContact ND2-CA 3.4Å; N152-D398 WeakPolarHBondContact CB-O 3.45Å; N152-D398 PolarHBondContact ND2-O 2.91Å; N152-D398 VanDerWaalsContact ND2-O 3.1Å
153Q93.3Very high93.8Very high137 Ų13762 Ų6264%0.6428%0.278SS*.THydrogen-bonded Turntrans-85.7-7.8-175.7-54.9-170.32100114.1K151 T397K151-Q153 PolarHBondContact O-N 3.09Å; Q153-T397 PolarHBondContact N-O 3.33Å
154R90.8Very high93.8Very high120 Ų12062 Ų6245%0.45328%0.277SS..SBendtrans-66.4162.9179.3-62.9-65.7-167.2152.1-5.6112.3K151 R156 D398 N399K151-R154 WeakPolarHBondContact CD-O 3.19Å; K151-R154 WeakPolarHBondContact CE-O 3.44Å; K151-R154 HydrophobicContact CG-CB 4.36Å; K151-R154 WeakPolarHBondContact CG-O 3.31Å; K151-R154 PolarHBondContact NZ-O 3Å; K151-R154 PolarHBondContact O-N 2.8Å; R154-R156 WeakPolarHBondContact CB-O 3.39Å; R154-D398 VanDerWaalsContact CG-OD1 3.3Å; R154-D398 WeakPolarHBondContact CG-OD1 3.22Å; R154-D398 IonicContact CZ-OD1 2.61Å; R154-D398 VanDerWaalsContact CZ-OD1 3.28Å; R154-D398 IonicContact CZ-OD2 2.68Å; R154-D398 VanDerWaalsContact NE-CG 3.33Å; R154-D398 IonicContact NE-OD1 2.78Å; R154-D398 PolarHBondContact NE-OD1 3.19Å; R154-D398 IonicContact NE-OD2 3.42Å; R154-D398 VanDerWaalsContact NH2-CG 3.26Å; R154-D398 IonicContact NH2-OD1 3.52Å; R154-D398 PolarHBondContact NH2-OD1 3.33Å; R154-D398 IonicContact NH2-OD2 3.48Å; R154-D398 PolarHBondContact NH2-OD2 2.8Å; R154-N399 WeakPolarHBondContact CB-ND2 3.22Å
155R91.8Very high93.7Very high243 Ų24359 Ų5992%0.91726%0.259SS*.SBendtrans-72.4-33.6177.7-69.4-175.4177.9-174.40.5112.6
156R90.7Very high93.4Very high157 Ų15757.2 Ų57.259%0.59225%0.251SS*.SBendtrans-134.5156.4179.4-66.5-175.1179.1170.62.4109.6K151 R154 E158 N399K151-R156 VanDerWaalsContact CG-C 3.46Å; K151-R156 WeakPolarHBondContact CG-O 3.39Å; R154-R156 WeakPolarHBondContact CB-O 3.39Å; R156-E158 HydrophobicContact CB-CG 4.26Å; R156-N399 PolarHBondContact O-ND2 3.49Å; R156-N399 PolarHBondContact O-OD1 3.35Å; R156-N399 VanDerWaalsContact O-OD1 3.13Å
157N92.7Very high93.1Very high55 Ų5556.3 Ų56.329%0.29425%0.247SC..  trans-96111.8168.4-161.633.4000106.9K151 N399K151-N157 HydrophobicContact CB-CB 3.96Å; K151-N157 HydrophobicContact CG-CB 4.18Å; N157-N399 WeakPolarHBondContact CA-OD1 3.46Å; N157-N399 WeakPolarHBondContact OD1-CB 3.49Å; N157-N399 VanDerWaalsContact OD1-CG 3.31Å; N157-N399 PolarHBondContact OD1-ND2 2.94Å
158E95.1Very high92.5Very high40 Ų4055.4 Ų55.419%0.18724%0.24CC..  trans-102.5-11.5178.4-55.8-168.1139.400111.1R156 F160 G189 G192 C193 A196 N399R156-E158 HydrophobicContact CB-CG 4.26Å; E158-F160 VanDerWaalsContact O-CD2 3.24Å; E158-F160 WeakPolarHBondContact O-CD2 3.36Å; E158-F160 WeakPolarHBondContact O-CE2 3.5Å; E158-G189 WeakPolarHBondContact CB-O 3.19Å; E158-G189 PolarHBondContact O-N 3.08Å; E158-G192 VanDerWaalsContact OE1-CA 3.27Å; E158-G192 WeakPolarHBondContact OE1-CA 3.09Å; E158-G192 PolarHBondContact OE1-N 2.85Å; E158-C193 HydrophobicContact CB-CB 4.36Å; E158-C193 HydrophobicContact CG-CB 4.28Å; E158-A196 WeakPolarHBondContact O-CB 3.41Å; E158-N399 PolarHBondContact N-OD1 3.11Å
159D96.8Very high91.6Very high4 Ų456.4 Ų56.42%0.02125%0.245CC..  trans-65.6141.7167.9-81.424.3000114.3F187 T351 N399 L400 T401D159-F187 CarbonylContact C-O 3.54Å; D159-F187 VanDerWaalsContact CA-O 3.29Å; D159-F187 WeakPolarHBondContact CA-O 3.38Å; D159-T351 PolarHBondContact OD2-OG1 3.49Å; D159-N399 HydrophobicContact CB-CB 4.15Å; D159-N399 WeakPolarHBondContact OD1-CB 3.48Å; D159-L400 VanDerWaalsContact OD2-C 3.31Å; D159-L400 PolarHBondContact OD2-N 3.09Å; D159-T401 WeakPolarHBondContact CB-OG1 3.37Å; D159-T401 VanDerWaalsContact OD2-CB 3.28Å; D159-T401 WeakPolarHBondContact OD2-CB 3.26Å; D159-T401 PolarHBondContact OD2-N 3.44Å; D159-T401 VanDerWaalsContact OD2-N 3.08Å; D159-T401 PolarHBondContact OD2-OG1 3.43Å
160F97.3Very high90.4Very high51 Ų5155.3 Ų55.322%0.22424%0.236CC..EExtended strand (participates in β ladder)trans-136.5164.3168.2-68.4-100.4000111.2E158 F187 C193 A196 C197 A200E158-F160 VanDerWaalsContact O-CD2 3.24Å; E158-F160 WeakPolarHBondContact O-CD2 3.36Å; E158-F160 WeakPolarHBondContact O-CE2 3.5Å; F160-F187 HydrophobicContact CB-CB 4.36Å; F160-F187 HydrophobicContact CB-CD2 4.28Å; F160-F187 PolarHBondContact N-O 3Å; F160-F187 PolarHBondContact O-N 2.97Å; F160-C193 HydrophobicContact CE2-CB 3.87Å; F160-C193 HydrophobicContact CZ-CB 4.25Å; F160-A196 HydrophobicContact CD2-CB 3.56Å; F160-A196 HydrophobicContact CE2-CB 4.2Å; F160-A196 HydrophobicContact CG-CB 4.45Å; F160-C197 HydrophobicContact CD1-CB 4.31Å; F160-C197 HydrophobicContact CD2-CB 4.34Å; F160-C197 HydrophobicContact CE1-CB 3.82Å; F160-C197 HydrophobicContact CE2-CB 3.88Å; F160-C197 HydrophobicContact CZ-CB 3.6Å; F160-A200 HydrophobicContact CB-CB 3.66Å; F160-A200 HydrophobicContact CD1-CB 4.48Å; F160-A200 HydrophobicContact CG-CB 4.31Å
161Y97.5Very high89.1Confident76 Ų7653.4 Ų53.430%0.29823%0.229SC..EExtended strand (participates in β ladder)trans-140.3161.4170.168.1-87.1000110.4L65 V147 V163 A185 T401L65-Y161 HydrophobicContact CD2-CE2 3.97Å; V147-Y161 HydrophobicContact CB-CE2 4.48Å; V147-Y161 HydrophobicContact CG1-CD1 4.02Å; V147-Y161 HydrophobicContact CG1-CD2 3.86Å; V147-Y161 HydrophobicContact CG1-CE1 3.98Å; V147-Y161 HydrophobicContact CG1-CE2 3.8Å; V147-Y161 HydrophobicContact CG1-CG 3.96Å; V147-Y161 HydrophobicContact CG2-CE2 4.42Å; Y161-V163 HydrophobicContact CD2-CG2 4.13Å; Y161-A185 CarbonylContact C-O 3.55Å; Y161-A185 WeakPolarHBondContact CA-O 3.36Å; Y161-A185 WeakPolarHBondContact CB-O 3.44Å; Y161-T401 HydrophobicContact CD1-CG2 4.47Å
162S96.2Very high87.1Confident5 Ų553.1 Ų53.14%0.03524%0.237CC..EExtended strand (participates in β ladder)trans-140.3131173.4-168.60000109.7F184 A185 A200S162-F184 CarbonylContact O-C 3.5Å; S162-F184 WeakPolarHBondContact O-CA 3.46Å; S162-A185 PolarHBondContact N-O 3.03Å; S162-A185 PolarHBondContact O-N 2.95Å; S162-A200 PolarHBondContact OG-O 3.33Å
163V94.8Very high85.2Confident2 Ų259.4 Ų59.41%0.01227%0.27CS..EExtended strand (participates in β ladder)trans-133.2119.5178.3178.20000108.4L65 F145 V147 Y161 F183 F184 I403L65-V163 HydrophobicContact CD2-CB 4.03Å; L65-V163 HydrophobicContact CD2-CG2 4.4Å; F145-V163 HydrophobicContact CD1-CG1 4.19Å; F145-V163 HydrophobicContact CD2-CG1 4.26Å; F145-V163 HydrophobicContact CE1-CG1 3.7Å; F145-V163 HydrophobicContact CE2-CG1 3.81Å; F145-V163 HydrophobicContact CG-CG1 4.45Å; F145-V163 HydrophobicContact CZ-CG1 3.5Å; F145-V163 VanDerWaalsContact CZ-CG1 3.5Å; V147-V163 HydrophobicContact CG2-CG2 4.27Å; Y161-V163 HydrophobicContact CD2-CG2 4.13Å; V163-F183 CarbonylContact C-O 3.58Å; V163-F183 WeakPolarHBondContact CA-O 3.42Å; V163-F184 HydrophobicContact CB-CD1 4.31Å; V163-F184 HydrophobicContact CG1-CD1 3.7Å; V163-F184 HydrophobicContact CG1-CE1 3.54Å; V163-F184 HydrophobicContact CG2-CD1 3.87Å; V163-F184 HydrophobicContact CG2-CE1 4.44Å; V163-I403 HydrophobicContact CG2-CD1 4.04Å
164I93.7Very high83.2Confident9 Ų958 Ų585%0.04626%0.264CS..EExtended strand (participates in β ladder)trans-119.1104173.5-47-61.5000106.9V69 E166 M170 S182 F183 A204V69-I164 HydrophobicContact CG1-CD1 3.81Å; V69-I164 HydrophobicContact CG1-CG2 4.15Å; I164-E166 VanDerWaalsContact C-N 3.26Å; I164-E166 WeakPolarHBondContact CG2-O 3.48Å; I164-E166 PolarHBondContact O-N 3.09Å; I164-M170 HydrophobicContact CB-CE 4.25Å; I164-M170 HydrophobicContact CD1-CE 3.29Å; I164-M170 HydrophobicContact CG1-CE 3.51Å; I164-M170 HydrophobicContact CG2-CE 3.76Å; I164-S182 WeakPolarHBondContact O-CA 3.12Å; I164-F183 HydrophobicContact CB-CB 4.11Å; I164-F183 HydrophobicContact CG1-CB 4.42Å; I164-F183 HydrophobicContact CG1-CD1 4.16Å; I164-F183 PolarHBondContact N-O 3.32Å; I164-F183 PolarHBondContact O-N 3.25Å; I164-A204 HydrophobicContact CG1-CB 3.87Å
165P90.3Very high81.3Confident4 Ų460.9 Ų60.93%0.02628%0.282CS..SBendtrans-58.5-37.8-176.5-21.929.4000113.1A66 V142 F145 S182A66-P165 HydrophobicContact CB-CB 4.42Å; A66-P165 HydrophobicContact CB-CG 3.59Å; V142-P165 HydrophobicContact CG1-CB 3.78Å; V142-P165 WeakPolarHBondContact CG1-O 3.05Å; F145-P165 HydrophobicContact CE1-CG 4.37Å; P165-S182 WeakPolarHBondContact O-CA 3.3Å; P165-S182 VanDerWaalsContact O-CB 3.26Å; P165-S182 WeakPolarHBondContact O-CB 2.95Å; P165-S182 PolarHBondContact O-OG 2.94Å
166E88.7Confident79.5Confident7 Ų752.8 Ų52.83%0.03326%0.262CS..  trans-133.5112.3171.2176.645.7-130.400110.3I164 H168 D169 P180 I181I164-E166 VanDerWaalsContact C-N 3.26Å; I164-E166 WeakPolarHBondContact CG2-O 3.48Å; I164-E166 PolarHBondContact O-N 3.09Å; E166-H168 VanDerWaalsContact C-N 3.28Å; E166-H168 PolarHBondContact O-N 3.47Å; E166-H168 WeakPolarHBondContact OE1-CB 3.35Å; E166-H168 IonicContact OE1-CG 2.69Å; E166-H168 PolarHBondContact OE1-N 3.34Å; E166-H168 IonicContact OE1-ND1 3.92Å; E166-H168 PolarHBondContact OE1-ND1 2.69Å; E166-D169 HydrophobicContact CB-CB 4.35Å; E166-D169 WeakPolarHBondContact CB-OD2 3.36Å; E166-D169 HydrophobicContact CG-CB 4.35Å; E166-D169 WeakPolarHBondContact O-CB 3.22Å; E166-D169 PolarHBondContact O-N 3.5Å; E166-P180 VanDerWaalsContact OE2-C 3.31Å; E166-P180 WeakPolarHBondContact OE2-CA 3.44Å; E166-P180 WeakPolarHBondContact OE2-CB 3.24Å; E166-I181 PolarHBondContact OE1-N 2.87Å; E166-I181 PolarHBondContact OE2-N 2.94Å
167L88.7Confident78.1Confident0 Ų048.3 Ų48.30%025%0.25CS..G310 helixtrans-63.5-34.6-174.9-176.364.6000111.7D169 M170 I181 F183 L207 N208 L251L167-D169 VanDerWaalsContact C-N 3.32Å; L167-M170 WeakPolarHBondContact O-CB 3.18Å; L167-M170 PolarHBondContact O-N 3.08Å; L167-I181 WeakPolarHBondContact CB-O 3.25Å; L167-I181 HydrophobicContact CD2-CG2 4.48Å; L167-I181 PolarHBondContact N-O 3.05Å; L167-F183 HydrophobicContact CD1-CB 4.27Å; L167-L207 HydrophobicContact CD1-CD2 4.35Å; L167-L207 HydrophobicContact CD2-CD2 3.64Å; L167-L207 HydrophobicContact CD2-CG 4Å; L167-N208 HydrophobicContact CD1-CB 4.11Å; L167-N208 HydrophobicContact CG-CB 4.46Å; L167-N208 PolarHBondContact O-ND2 2.82Å; L167-L251 HydrophobicContact CD2-CD2 4.45Å
168H82.9Confident76.9Confident18 Ų1853.7 Ų53.78%0.08327%0.273CS..G310 helixtrans-78.7-11.8179.6-57.289.7000113.6E166 M170 T171 N177 S212E166-H168 VanDerWaalsContact C-N 3.28Å; E166-H168 PolarHBondContact O-N 3.47Å; E166-H168 WeakPolarHBondContact OE1-CB 3.35Å; E166-H168 IonicContact OE1-CG 2.69Å; E166-H168 PolarHBondContact OE1-N 3.34Å; E166-H168 IonicContact OE1-ND1 3.92Å; E166-H168 PolarHBondContact OE1-ND1 2.69Å; H168-M170 PolarHBondContact O-N 2.55Å; H168-T171 PolarHBondContact O-N 3.4Å; H168-T171 PolarHBondContact O-OG1 2.71Å; H168-N177 PolarHBondContact CE1-ND2 3.33Å; H168-N177 VanDerWaalsContact CE1-ND2 3.3Å; H168-N177 PolarHBondContact ND1-ND2 2.66Å; H168-S212 PolarHBondContact NE2-O 3.09Å; H168-S212 VanDerWaalsContact NE2-O 3.08Å
169D75.3Confident76.2Confident45 Ų4555.3 Ų55.324%0.24128%0.283CS..G310 helixtrans-63-14170.7-78.2-20.3000111.8Q77 W134 E166 L167Q77-D169 PolarHBondContact NE2-O 2.74Å; W134-D169 PolarHBondContact NE1-OD2 3.4Å; E166-D169 HydrophobicContact CB-CB 4.35Å; E166-D169 WeakPolarHBondContact CB-OD2 3.36Å; E166-D169 HydrophobicContact CG-CB 4.35Å; E166-D169 WeakPolarHBondContact O-CB 3.22Å; E166-D169 PolarHBondContact O-N 3.5Å; L167-D169 VanDerWaalsContact C-N 3.32Å
170M69.3Low75.6Confident7 Ų755.4 Ų55.43%0.03428%0.284CS..G310 helixtrans-75.5-17.3169.9-63-163.6-178.600114.1R47 I51 Q77 I164 L167 H168 A204 N208R47-M170 PolarHBondContact NH2-O 3.09Å; I51-M170 HydrophobicContact CD1-SD 4.44Å; Q77-M170 PolarHBondContact NE2-O 3.07Å; I164-M170 HydrophobicContact CB-CE 4.25Å; I164-M170 HydrophobicContact CD1-CE 3.29Å; I164-M170 HydrophobicContact CG1-CE 3.51Å; I164-M170 HydrophobicContact CG2-CE 3.76Å; L167-M170 WeakPolarHBondContact O-CB 3.18Å; L167-M170 PolarHBondContact O-N 3.08Å; H168-M170 PolarHBondContact O-N 2.55Å; M170-A204 HydrophobicContact CE-CB 4.23Å; M170-N208 HydrophobicContact CB-CB 4.14Å; M170-N208 VanDerWaalsContact CB-CG 3.44Å; M170-N208 WeakPolarHBondContact CB-OD1 2.83Å; M170-N208 HydrophobicContact SD-CB 4.01Å
171T64Low75.4Confident16 Ų1653.1 Ų53.110%0.09827%0.274CS..SBendtrans-93.3142.4176.451.40000113.2Q77 H168 Q174 N208Q77-T171 VanDerWaalsContact NE2-C 3.25Å; Q77-T171 PolarHBondContact NE2-O 2.9Å; H168-T171 PolarHBondContact O-N 3.4Å; H168-T171 PolarHBondContact O-OG1 2.71Å; T171-Q174 PolarHBondContact OG1-OE1 2.74Å; T171-N208 WeakPolarHBondContact CG2-OD1 3.46Å
172P47.3Very low75.2Confident85 Ų8549.5 Ų49.555%0.55226%0.26SS*.SBendtrans-68147.8174.8-15.929.2000113.1Q77 Q174Q77-P172 HydrophobicContact CG-CG 4.46Å; P172-Q174 PolarHBondContact O-N 2.85Å
173D51.8Low75.2Confident166 Ų16649.3 Ų49.389%0.88826%0.259SS*.SBendtrans5412.4163.9-78.9-16000118Q175D173-Q175 PolarHBondContact O-N 3.47Å; D173-Q175 VanDerWaalsContact O-N 3.13Å
174Q51.1Low75.4Confident109 Ų10949.2 Ų49.251%0.50926%0.258SS..  trans-72.5113.8167.7-68.6-161.2-2900109T171 P172 C176T171-Q174 PolarHBondContact OG1-OE1 2.74Å; P172-Q174 PolarHBondContact O-N 2.85Å; Q174-C176 PolarHBondContact O-N 3.1Å
175Q51.7Low75.6Confident179 Ų17948.8 Ų48.884%0.83626%0.256SS*.  trans-47138160.5-147.7153.111.100107.6D173 N177D173-Q175 PolarHBondContact O-N 3.47Å; D173-Q175 VanDerWaalsContact O-N 3.13Å; Q175-N177 PolarHBondContact O-N 3.44Å; Q175-N177 VanDerWaalsContact O-N 3.09Å
176C53.1Low76Confident74 Ų7448.6 Ų48.650%0.526%0.255SS..  trans-36.8118.3-174.847.10000111.7Q174 E178Q174-C176 PolarHBondContact O-N 3.1Å; C176-E178 PolarHBondContact O-N 3.45Å
177N62.4Low76.5Confident63 Ų6348.2 Ų48.234%0.33725%0.253SS..  trans-63.8126.2179.2-167.7-13.2000108.4H168 Q175 N179H168-N177 PolarHBondContact CE1-ND2 3.33Å; H168-N177 VanDerWaalsContact CE1-ND2 3.3Å; H168-N177 PolarHBondContact ND1-ND2 2.66Å; Q175-N177 PolarHBondContact O-N 3.44Å; Q175-N177 VanDerWaalsContact O-N 3.09Å; N177-N179 PolarHBondContact ND2-O 2.99Å; N177-N179 PolarHBondContact O-N 3.48Å; N177-N179 PolarHBondContact OD1-N 2.8Å; N177-N179 VanDerWaalsContact OD1-N 3.1Å
178E67.4Low76.9Confident167 Ų16749 Ų4978%0.7826%0.257SS*.SBendtrans-65.5-16.8177.2-65.7-174.3167.400112Q141 C176Q141-E178 PolarHBondContact OE1-O 3.18Å; C176-E178 PolarHBondContact O-N 3.45Å
179N79.1Confident77.6Confident74 Ų7448.3 Ų48.340%0.39626%0.255SS..SBendtrans-125.883.5175.1-69.3-50.4000110.3N177 S254N177-N179 PolarHBondContact ND2-O 2.99Å; N177-N179 PolarHBondContact O-N 3.48Å; N177-N179 PolarHBondContact OD1-N 2.8Å; N177-N179 VanDerWaalsContact OD1-N 3.1Å; N179-S254 PolarHBondContact OD1-OG 3.46Å
180P86Confident78.6Confident6 Ų648.2 Ų48.24%0.03925%0.253CS..  trans-59145175.222.2-30.3000111.7Q141 V142 E166Q141-P180 HydrophobicContact CB-CG 3.4Å; Q141-P180 VanDerWaalsContact CB-CG 3.4Å; Q141-P180 HydrophobicContact CG-CG 4.33Å; V142-P180 HydrophobicContact CG2-CB 4.27Å; E166-P180 VanDerWaalsContact OE2-C 3.31Å; E166-P180 WeakPolarHBondContact OE2-CA 3.44Å; E166-P180 WeakPolarHBondContact OE2-CB 3.24Å
181I91.2Very high79.9Confident3 Ų351.3 Ų51.32%0.01529%0.286CS..  trans-125.4115.4175.6-57.5-176.2000108.2E166 L167 I217 L251E166-I181 PolarHBondContact OE1-N 2.87Å; E166-I181 PolarHBondContact OE2-N 2.94Å; L167-I181 WeakPolarHBondContact CB-O 3.25Å; L167-I181 HydrophobicContact CD2-CG2 4.48Å; L167-I181 PolarHBondContact N-O 3.05Å; I181-I217 HydrophobicContact CD1-CD1 4.18Å; I181-L251 HydrophobicContact CG2-CB 3.91Å; I181-L251 HydrophobicContact CG2-CD2 4.13Å; I181-L251 HydrophobicContact CG2-CG 4.17Å
182S94.2Very high81.3Confident1 Ų150.8 Ų50.81%0.00728%0.284CS..EExtended strand (participates in β ladder)trans-91.3138.1175.3-53.50000110.7P143 I164 P165 F184 L251 V252P143-S182 VanDerWaalsContact CD-OG 3.25Å; P143-S182 WeakPolarHBondContact CD-OG 2.95Å; I164-S182 WeakPolarHBondContact O-CA 3.12Å; P165-S182 WeakPolarHBondContact O-CA 3.3Å; P165-S182 VanDerWaalsContact O-CB 3.26Å; P165-S182 WeakPolarHBondContact O-CB 2.95Å; P165-S182 PolarHBondContact O-OG 2.94Å; S182-F184 VanDerWaalsContact CB-CE2 3.44Å; S182-L251 CarbonylContact O-C 3.44Å; S182-L251 WeakPolarHBondContact O-CA 3.45Å; S182-V252 PolarHBondContact N-O 2.85Å; S182-V252 PolarHBondContact O-N 3.39Å
183F96.3Very high83.6Confident0 Ų049 Ų490%027%0.273CS..EExtended strand (participates in β ladder)trans-109.3128.3177.3174-80.1000110.3V163 I164 L167 A185 L203 A204 L207 T249 L251V163-F183 CarbonylContact C-O 3.58Å; V163-F183 WeakPolarHBondContact CA-O 3.42Å; I164-F183 HydrophobicContact CB-CB 4.11Å; I164-F183 HydrophobicContact CG1-CB 4.42Å; I164-F183 HydrophobicContact CG1-CD1 4.16Å; I164-F183 PolarHBondContact N-O 3.32Å; I164-F183 PolarHBondContact O-N 3.25Å; L167-F183 HydrophobicContact CD1-CB 4.27Å; F183-A185 HydrophobicContact CE1-CB 3.51Å; F183-A185 HydrophobicContact CZ-CB 3.62Å; F183-L203 HydrophobicContact CE2-CD2 3.62Å; F183-L203 HydrophobicContact CZ-CD2 3.47Å; F183-L203 VanDerWaalsContact CZ-CD2 3.47Å; F183-A204 HydrophobicContact CD1-CB 3.87Å; F183-A204 HydrophobicContact CD2-CB 4.47Å; F183-A204 HydrophobicContact CE1-CB 3.82Å; F183-A204 HydrophobicContact CE2-CB 4.43Å; F183-A204 HydrophobicContact CG-CB 4.22Å; F183-A204 HydrophobicContact CZ-CB 4.12Å; F183-L207 HydrophobicContact CD2-CD2 3.77Å; F183-L207 HydrophobicContact CE2-CD2 4.09Å; F183-T249 HydrophobicContact CE2-CG2 4Å; F183-T249 HydrophobicContact CZ-CG2 3.85Å; F183-L251 HydrophobicContact CD2-CD1 3.62Å; F183-L251 HydrophobicContact CD2-CG 4.2Å; F183-L251 HydrophobicContact CE2-CD1 4.1Å
184F98.4Very high85.6Confident0 Ų044.9 Ų44.90%025%0.249CC..EExtended strand (participates in β ladder)trans-128.1135.7174.8-57.4-87.1000109.2P143 F145 S162 V163 S182 T249 C250 V252 L349 I403 I405P143-F184 HydrophobicContact CB-CZ 4.46Å; F145-F184 HydrophobicContact CB-CE1 3.92Å; F145-F184 AromaticContact CD1-CE1 3.59Å; F145-F184 HydrophobicContact CD1-CE1 3.59Å; F145-F184 HydrophobicContact CD1-CZ 4.02Å; F145-F184 HydrophobicContact CE1-CE1 4.25Å; F145-F184 AromaticContact CG-CE1 3.75Å; F145-F184 HydrophobicContact CG-CE1 3.75Å; F145-F184 HydrophobicContact CG-CZ 4.5Å; S162-F184 CarbonylContact O-C 3.5Å; S162-F184 WeakPolarHBondContact O-CA 3.46Å; V163-F184 HydrophobicContact CB-CD1 4.31Å; V163-F184 HydrophobicContact CG1-CD1 3.7Å; V163-F184 HydrophobicContact CG1-CE1 3.54Å; V163-F184 HydrophobicContact CG2-CD1 3.87Å; V163-F184 HydrophobicContact CG2-CE1 4.44Å; S182-F184 VanDerWaalsContact CB-CE2 3.44Å; F184-T249 CarbonylContact O-C 3.58Å; F184-T249 WeakPolarHBondContact O-CA 3.46Å; F184-C250 PolarHBondContact N-O 2.81Å; F184-C250 PolarHBondContact O-N 2.89Å; F184-V252 HydrophobicContact CD2-CG2 4.03Å; F184-V252 HydrophobicContact CE2-CB 4.41Å; F184-V252 HydrophobicContact CE2-CG2 3.96Å; F184-L349 HydrophobicContact CB-CD2 4.06Å; F184-I403 HydrophobicContact CB-CD1 4.47Å; F184-I403 HydrophobicContact CD1-CG2 4.07Å; F184-I405 HydrophobicContact CB-CD1 4.32Å; F184-I405 HydrophobicContact CD1-CD1 4.11Å; F184-I405 HydrophobicContact CD1-CG1 3.71Å; F184-I405 HydrophobicContact CD2-CD1 4.41Å; F184-I405 HydrophobicContact CD2-CG1 4.09Å; F184-I405 HydrophobicContact CE1-CG1 3.7Å; F184-I405 HydrophobicContact CE2-CG1 4.05Å; F184-I405 HydrophobicContact CE2-CG2 4.1Å; F184-I405 HydrophobicContact CG-CD1 4.03Å; F184-I405 HydrophobicContact CG-CG1 3.92Å; F184-I405 HydrophobicContact CZ-CG1 3.88Å; F184-I405 HydrophobicContact CZ-CG2 4.03Å
185A98.8Very high87.9Confident0 Ų039.7 Ų39.70%022%0.224CC..EExtended strand (participates in β ladder)trans-149.3147.5176.300000113Y161 S162 F183 F187 L248 T249Y161-A185 CarbonylContact C-O 3.55Å; Y161-A185 WeakPolarHBondContact CA-O 3.36Å; Y161-A185 WeakPolarHBondContact CB-O 3.44Å; S162-A185 PolarHBondContact N-O 3.03Å; S162-A185 PolarHBondContact O-N 2.95Å; F183-A185 HydrophobicContact CE1-CB 3.51Å; F183-A185 HydrophobicContact CZ-CB 3.62Å; A185-F187 HydrophobicContact CB-CE2 3.62Å; A185-F187 HydrophobicContact CB-CZ 3.57Å; A185-L248 CarbonylContact C-O 3.51Å; A185-L248 WeakPolarHBondContact CA-O 3.24Å; A185-L248 WeakPolarHBondContact CB-O 3.41Å; A185-T249 HydrophobicContact CB-CG2 3.87Å
186V98.7Very high90.1Very high0 Ų031.1 Ų31.10%019%0.185CC..EExtended strand (participates in β ladder)trans-122.7147.3169.7-61.10000109.4L248 L349 T351 T401 I403V186-L248 HydrophobicContact CG2-CB 3.92Å; V186-L248 HydrophobicContact CG2-CD2 4.06Å; V186-L248 HydrophobicContact CG2-CG 4.35Å; V186-L248 PolarHBondContact N-O 2.84Å; V186-L248 PolarHBondContact O-N 2.98Å; V186-L349 HydrophobicContact CG1-CB 4.16Å; V186-L349 HydrophobicContact CG2-CB 4.33Å; V186-T351 HydrophobicContact CB-CG2 4.21Å; V186-T351 HydrophobicContact CG2-CG2 4.35Å; V186-T401 HydrophobicContact CB-CG2 4.29Å; V186-T401 HydrophobicContact CG1-CG2 3.73Å; V186-I403 HydrophobicContact CG1-CD1 3.7Å; V186-I403 HydrophobicContact CG1-CG1 3.86Å
187F98.6Very high92.1Very high0 Ų028.1 Ų28.10%016%0.164CC..EExtended strand (participates in β ladder)trans-138.3115-178.1-50-91.1000107.3D159 F160 A185 A196 A199 A200 L203 T246 A247D159-F187 CarbonylContact C-O 3.54Å; D159-F187 VanDerWaalsContact CA-O 3.29Å; D159-F187 WeakPolarHBondContact CA-O 3.38Å; F160-F187 HydrophobicContact CB-CB 4.36Å; F160-F187 HydrophobicContact CB-CD2 4.28Å; F160-F187 PolarHBondContact N-O 3Å; F160-F187 PolarHBondContact O-N 2.97Å; A185-F187 HydrophobicContact CB-CE2 3.62Å; A185-F187 HydrophobicContact CB-CZ 3.57Å; F187-A196 HydrophobicContact CB-CB 3.97Å; F187-A199 HydrophobicContact CD1-CB 3.5Å; F187-A199 HydrophobicContact CE1-CB 3.47Å; F187-A199 VanDerWaalsContact CE1-CB 3.47Å; F187-A199 HydrophobicContact CG-CB 4.36Å; F187-A199 HydrophobicContact CZ-CB 4.3Å; F187-A200 HydrophobicContact CD2-CB 3.65Å; F187-A200 VanDerWaalsContact CE2-CA 3.41Å; F187-A200 HydrophobicContact CE2-CB 3.65Å; F187-A200 HydrophobicContact CG-CB 4.45Å; F187-A200 HydrophobicContact CZ-CB 4.42Å; F187-L203 HydrophobicContact CE1-CD1 4.48Å; F187-T246 WeakPolarHBondContact CA-O 3.3Å; F187-A247 HydrophobicContact CD1-CB 3.56Å; F187-A247 HydrophobicContact CE1-CB 3.66Å
188D98.2Very high93.8Very high17 Ų1725.4 Ų25.49%0.09115%0.149CC..  trans-93.8126.5168.6164.133.3000108.5C245 T246 T351D188-C245 CarbonylContact O-C 3.57Å; D188-C245 WeakPolarHBondContact O-CA 3.32Å; D188-C245 WeakPolarHBondContact O-CB 3.47Å; D188-T246 HydrophobicContact CB-CG2 4.35Å; D188-T246 WeakPolarHBondContact CB-OG1 3.22Å; D188-T246 PolarHBondContact N-OG1 3.43Å; D188-T246 PolarHBondContact O-N 2.73Å; D188-T246 PolarHBondContact O-OG1 2.78Å; D188-T351 HydrophobicContact CB-CG2 3.75Å
189G97.9Very high95.3Very high3 Ų317.4 Ų17.43%0.03111%0.112CC..EExtended strand (participates in β ladder)trans-108145.4-172.200000112E158E158-G189 WeakPolarHBondContact CB-O 3.19Å; E158-G189 PolarHBondContact O-N 3.08Å
190H96.3Very high96.2Very high42 Ų4214.3 Ų14.319%0.19410%0.096CC..EExtended strand (participates in β ladder)trans-141.6150.4179.954.3-91.5000112.2G192 S243 G244 C245 I314 D322H190-G192 PolarHBondContact O-N 2.92Å; H190-S243 VanDerWaalsContact O-CA 3.29Å; H190-S243 WeakPolarHBondContact O-CA 3.29Å; H190-S243 WeakPolarHBondContact O-CB 3.18Å; H190-G244 PolarHBondContact N-O 3.04Å; H190-G244 WeakPolarHBondContact NE2-CA 3.47Å; H190-G244 PolarHBondContact O-N 3.25Å; H190-C245 PolarHBondContact CE1-N 2.82Å; H190-I314 VanDerWaalsContact CE1-CD1 3.48Å; H190-I314 WeakPolarHBondContact CE1-CD1 3.43Å; H190-I314 WeakPolarHBondContact NE2-CD1 3.48Å; H190-D322 IonicContact CD2-OD1 3.88Å; H190-D322 IonicContact CD2-OD2 3.63Å; H190-D322 IonicContact CE1-OD2 3.52Å; H190-D322 PolarHBondContact CE1-OD2 3.35Å; H190-D322 VanDerWaalsContact NE2-CG 3.27Å; H190-D322 IonicContact NE2-OD1 3.99Å; H190-D322 PolarHBondContact NE2-OD1 3.41Å; H190-D322 VanDerWaalsContact NE2-OD1 3.07Å; H190-D322 IonicContact NE2-OD2 2.66Å; H190-D322 PolarHBondContact NE2-OD2 2.71Å
191G94.9Very high96.7Very high72 Ų7214.6 Ų14.674%0.74210%0.098SC*.SBendtrans67.318-176.700000113.4
192G94.1Very high97Very high5 Ų514.6 Ų14.65%0.05210%0.098CC..SBendtrans131162.6-169.500000111.4E158 H190 E194E158-G192 VanDerWaalsContact OE1-CA 3.27Å; E158-G192 WeakPolarHBondContact OE1-CA 3.09Å; E158-G192 PolarHBondContact OE1-N 2.85Å; H190-G192 PolarHBondContact O-N 2.92Å; G192-E194 VanDerWaalsContact C-OE2 3.31Å; G192-E194 VanDerWaalsContact CA-OE2 3.27Å; G192-E194 WeakPolarHBondContact CA-OE2 3.42Å
193C94.7Very high97.1Very high47 Ų4714.5 Ų14.532%0.31810%0.098SC..SBendtrans-97.3-3.1-176.773.80000112.5E158 F160 C197E158-C193 HydrophobicContact CB-CB 4.36Å; E158-C193 HydrophobicContact CG-CB 4.28Å; F160-C193 HydrophobicContact CE2-CB 3.87Å; F160-C193 HydrophobicContact CZ-CB 4.25Å; C193-C197 WeakPolarHBondContact O-CB 3.44Å; C193-C197 PolarHBondContact O-N 2.66Å
194E95.5Very high97.1Very high80 Ų8014.7 Ų14.737%0.37410%0.099SC..Hα-helixtrans-68.8-39.9-165.9-64.485.316700112.7G192 Y198 L241G192-E194 VanDerWaalsContact C-OE2 3.31Å; G192-E194 VanDerWaalsContact CA-OE2 3.27Å; G192-E194 WeakPolarHBondContact CA-OE2 3.42Å; E194-Y198 VanDerWaalsContact O-CB 3.28Å; E194-Y198 WeakPolarHBondContact O-CB 3.31Å; E194-Y198 PolarHBondContact O-N 3.22Å; E194-L241 HydrophobicContact CB-CD1 3.9Å; E194-L241 HydrophobicContact CB-CD2 4.47Å; E194-L241 HydrophobicContact CG-CD1 4.25Å; E194-L241 HydrophobicContact CG-CD2 4.03Å
195S97.8Very high96.9Very high0 Ų015.1 Ų15.10%010%0.102CC..Hα-helixtrans-69.8-48.3178.8-610000112C197 Y198 A199 S243 C245S195-C197 VanDerWaalsContact C-N 3.32Å; S195-C197 PolarHBondContact O-N 2.93Å; S195-Y198 PolarHBondContact O-N 2.99Å; S195-Y198 VanDerWaalsContact O-N 3.16Å; S195-A199 WeakPolarHBondContact O-CB 3.26Å; S195-A199 PolarHBondContact O-N 3.4Å; S195-S243 PolarHBondContact N-OG 3.42Å; S195-S243 PolarHBondContact OG-O 3.19Å; S195-S243 PolarHBondContact OG-OG 3.01Å; S195-C245 VanDerWaalsContact C-SG 3.58Å
196A97.9Very high96.7Very high0 Ų015.4 Ų15.40%010%0.104CC..Hα-helixtrans-60.5-43.817600000111.4E158 F160 F187 Y198 A199 A200 C245E158-A196 WeakPolarHBondContact O-CB 3.41Å; F160-A196 HydrophobicContact CD2-CB 3.56Å; F160-A196 HydrophobicContact CE2-CB 4.2Å; F160-A196 HydrophobicContact CG-CB 4.45Å; F187-A196 HydrophobicContact CB-CB 3.97Å; A196-Y198 VanDerWaalsContact C-N 3.34Å; A196-Y198 PolarHBondContact O-N 2.84Å; A196-A199 PolarHBondContact O-N 2.88Å; A196-A200 WeakPolarHBondContact O-CB 3.21Å; A196-A200 PolarHBondContact O-N 3.47Å; A196-C245 VanDerWaalsContact CA-SG 3.58Å; A196-C245 HydrophobicContact CB-CB 3.6Å
197C96.5Very high96.6Very high11 Ų1115.4 Ų15.47%0.07410%0.104CC..Hα-helixtrans-61.3-41.7175.3-178.40000112.5R33 F160 C193 S195 T201R33-C197 PolarHBondContact NH2-SG 2.93Å; F160-C197 HydrophobicContact CD1-CB 4.31Å; F160-C197 HydrophobicContact CD2-CB 4.34Å; F160-C197 HydrophobicContact CE1-CB 3.82Å; F160-C197 HydrophobicContact CE2-CB 3.88Å; F160-C197 HydrophobicContact CZ-CB 3.6Å; C193-C197 WeakPolarHBondContact O-CB 3.44Å; C193-C197 PolarHBondContact O-N 2.66Å; S195-C197 VanDerWaalsContact C-N 3.32Å; S195-C197 PolarHBondContact O-N 2.93Å; C197-T201 WeakPolarHBondContact O-CB 3.28Å; C197-T201 PolarHBondContact O-N 2.86Å; C197-T201 PolarHBondContact O-OG1 3.37Å
198Y97.8Very high96.2Very high5 Ų515.6 Ų15.62%0.0211%0.105CC..Hα-helixtrans-65.5-48.3178.3-174.1-86.5000110.6D45 E194 S195 A196 A200 T201 H202 T228 R231 L232 K235D45-Y198 PolarHBondContact OD1-OH 2.98Å; E194-Y198 VanDerWaalsContact O-CB 3.28Å; E194-Y198 WeakPolarHBondContact O-CB 3.31Å; E194-Y198 PolarHBondContact O-N 3.22Å; S195-Y198 PolarHBondContact O-N 2.99Å; S195-Y198 VanDerWaalsContact O-N 3.16Å; A196-Y198 VanDerWaalsContact C-N 3.34Å; A196-Y198 PolarHBondContact O-N 2.84Å; Y198-A200 PolarHBondContact O-N 2.87Å; Y198-T201 PolarHBondContact O-N 3.34Å; Y198-T201 VanDerWaalsContact O-N 3.12Å; Y198-H202 AromaticContact CD1-CD2 3.88Å; Y198-H202 AromaticContact CD2-CD2 3.42Å; Y198-H202 VanDerWaalsContact CD2-CD2 3.42Å; Y198-H202 WeakPolarHBondContact CD2-CD2 3.32Å; Y198-H202 AromaticContact CD2-NE2 3.83Å; Y198-H202 HydrophobicContact CE1-CB 4.17Å; Y198-H202 AromaticContact CE1-CD2 3.79Å; Y198-H202 AromaticContact CE2-CD2 3.29Å; Y198-H202 WeakPolarHBondContact CE2-CD2 3.3Å; Y198-H202 AromaticContact CE2-NE2 3.62Å; Y198-H202 AromaticContact CG-CD2 3.69Å; Y198-H202 AromaticContact CZ-CD2 3.47Å; Y198-H202 VanDerWaalsContact CZ-CD2 3.47Å; Y198-H202 AromaticContact CZ-CG 3.99Å; Y198-H202 WeakPolarHBondContact O-CB 3.29Å; Y198-H202 PolarHBondContact O-CD2 3.44Å; Y198-H202 PolarHBondContact O-N 3.27Å; Y198-T228 HydrophobicContact CD1-CG2 4.27Å; Y198-T228 HydrophobicContact CE1-CG2 4.21Å; Y198-R231 HydrophobicContact CE1-CB 4.39Å; Y198-R231 WeakPolarHBondContact OH-CB 3.29Å; Y198-L232 HydrophobicContact CD1-CB 3.7Å; Y198-L232 HydrophobicContact CD1-CD1 3.87Å; Y198-L232 HydrophobicContact CD1-CD2 4.49Å; Y198-L232 HydrophobicContact CD1-CG 4.22Å; Y198-L232 HydrophobicContact CD2-CD1 4.46Å; Y198-L232 HydrophobicContact CE1-CB 3.78Å; Y198-L232 HydrophobicContact CG-CB 4.45Å; Y198-L232 HydrophobicContact CG-CD1 3.8Å; Y198-K235 HydrophobicContact CD2-CD 3.72Å; Y198-K235 HydrophobicContact CE2-CD 3.92Å
199A98.5Very high95.8Very high0 Ų017.7 Ų17.70%012%0.124CC..Hα-helixtrans-59.4-46.5178.200000111.8F187 S195 A196 T201 H202 L203 L320F187-A199 HydrophobicContact CD1-CB 3.5Å; F187-A199 HydrophobicContact CE1-CB 3.47Å; F187-A199 VanDerWaalsContact CE1-CB 3.47Å; F187-A199 HydrophobicContact CG-CB 4.36Å; F187-A199 HydrophobicContact CZ-CB 4.3Å; S195-A199 WeakPolarHBondContact O-CB 3.26Å; S195-A199 PolarHBondContact O-N 3.4Å; A196-A199 PolarHBondContact O-N 2.88Å; A199-T201 PolarHBondContact O-N 2.88Å; A199-H202 PolarHBondContact O-N 3.13Å; A199-L203 WeakPolarHBondContact O-CB 3.4Å; A199-L203 PolarHBondContact O-N 3.15Å; A199-L320 HydrophobicContact CB-CD1 3.81Å
200A97.8Very high95.4Very high8 Ų820.1 Ų20.17%0.06614%0.136CC..Hα-helixtrans-60.9-30.1176.600000113.9F160 S162 F187 A196 Y198F160-A200 HydrophobicContact CB-CB 3.66Å; F160-A200 HydrophobicContact CD1-CB 4.48Å; F160-A200 HydrophobicContact CG-CB 4.31Å; S162-A200 PolarHBondContact OG-O 3.33Å; F187-A200 HydrophobicContact CD2-CB 3.65Å; F187-A200 VanDerWaalsContact CE2-CA 3.41Å; F187-A200 HydrophobicContact CE2-CB 3.65Å; F187-A200 HydrophobicContact CG-CB 4.45Å; F187-A200 HydrophobicContact CZ-CB 4.42Å; A196-A200 WeakPolarHBondContact O-CB 3.21Å; A196-A200 PolarHBondContact O-N 3.47Å; Y198-A200 PolarHBondContact O-N 2.87Å
201T96.6Very high94.6Very high13 Ų1322.9 Ų22.98%0.0815%0.152CC..Hα-helixtrans-81.6-39.1-179.8-56.90000112E52 C197 Y198 A199E52-T201 HydrophobicContact CB-CG2 3.87Å; E52-T201 HydrophobicContact CG-CG2 4.18Å; C197-T201 WeakPolarHBondContact O-CB 3.28Å; C197-T201 PolarHBondContact O-N 2.86Å; C197-T201 PolarHBondContact O-OG1 3.37Å; Y198-T201 PolarHBondContact O-N 3.34Å; Y198-T201 VanDerWaalsContact O-N 3.12Å; A199-T201 PolarHBondContact O-N 2.88Å
202H96.9Very high93.8Very high2 Ų219.5 Ų19.51%0.00912%0.118CC..Hα-helixtrans-110.3-28.1-163.4-65.7-60.2000114.8D45 E49 Y198 A199 A204 S205 N206D45-H202 PolarHBondContact O-CE1 2.96Å; D45-H202 VanDerWaalsContact O-CE1 3.25Å; E49-H202 IonicContact OE1-CE1 3.83Å; E49-H202 IonicContact OE1-NE2 3.19Å; E49-H202 PolarHBondContact OE1-NE2 2.94Å; Y198-H202 AromaticContact CD1-CD2 3.88Å; Y198-H202 AromaticContact CD2-CD2 3.42Å; Y198-H202 VanDerWaalsContact CD2-CD2 3.42Å; Y198-H202 WeakPolarHBondContact CD2-CD2 3.32Å; Y198-H202 AromaticContact CD2-NE2 3.83Å; Y198-H202 HydrophobicContact CE1-CB 4.17Å; Y198-H202 AromaticContact CE1-CD2 3.79Å; Y198-H202 AromaticContact CE2-CD2 3.29Å; Y198-H202 WeakPolarHBondContact CE2-CD2 3.3Å; Y198-H202 AromaticContact CE2-NE2 3.62Å; Y198-H202 AromaticContact CG-CD2 3.69Å; Y198-H202 AromaticContact CZ-CD2 3.47Å; Y198-H202 VanDerWaalsContact CZ-CD2 3.47Å; Y198-H202 AromaticContact CZ-CG 3.99Å; Y198-H202 WeakPolarHBondContact O-CB 3.29Å; Y198-H202 PolarHBondContact O-CD2 3.44Å; Y198-H202 PolarHBondContact O-N 3.27Å; A199-H202 PolarHBondContact O-N 3.13Å; H202-A204 PolarHBondContact O-N 3.05Å; H202-S205 PolarHBondContact O-N 3.46Å; H202-S205 VanDerWaalsContact O-N 3.13Å; H202-N206 VanDerWaalsContact O-CG 3.24Å; H202-N206 PolarHBondContact O-N 3.36Å; H202-N206 PolarHBondContact O-ND2 2.97Å
203L97.9Very high92.8Very high0 Ų021.6 Ų21.60%013%0.131CC..Hα-helixtrans-62.5-44.7-169.2-169143.1000112.6F183 F187 A199 S205 N206 L207 F225 T228 T249 L320F183-L203 HydrophobicContact CE2-CD2 3.62Å; F183-L203 HydrophobicContact CZ-CD2 3.47Å; F183-L203 VanDerWaalsContact CZ-CD2 3.47Å; F187-L203 HydrophobicContact CE1-CD1 4.48Å; A199-L203 WeakPolarHBondContact O-CB 3.4Å; A199-L203 PolarHBondContact O-N 3.15Å; L203-S205 PolarHBondContact O-N 2.67Å; L203-N206 PolarHBondContact O-N 2.68Å; L203-L207 WeakPolarHBondContact O-CB 3.4Å; L203-L207 PolarHBondContact O-N 3.21Å; L203-F225 HydrophobicContact CD1-CD1 4.31Å; L203-F225 HydrophobicContact CD1-CD2 4.05Å; L203-F225 HydrophobicContact CD1-CE1 4.23Å; L203-F225 HydrophobicContact CD1-CE2 3.98Å; L203-F225 HydrophobicContact CD1-CG 4.23Å; L203-F225 HydrophobicContact CD1-CZ 4.07Å; L203-F225 HydrophobicContact CD2-CE2 4.33Å; L203-T228 HydrophobicContact CB-CG2 4.32Å; L203-T228 HydrophobicContact CD1-CG2 4.38Å; L203-T249 HydrophobicContact CD2-CG2 3.63Å; L203-L320 HydrophobicContact CD1-CD1 4.42Å
204A95.4Very high91.8Very high4 Ų422 Ų223%0.03313%0.13CC..Hα-helixtrans-64.6-37.4176.400000112.8I164 M170 F183 H202 L207 N208I164-A204 HydrophobicContact CG1-CB 3.87Å; M170-A204 HydrophobicContact CE-CB 4.23Å; F183-A204 HydrophobicContact CD1-CB 3.87Å; F183-A204 HydrophobicContact CD2-CB 4.47Å; F183-A204 HydrophobicContact CE1-CB 3.82Å; F183-A204 HydrophobicContact CE2-CB 4.43Å; F183-A204 HydrophobicContact CG-CB 4.22Å; F183-A204 HydrophobicContact CZ-CB 4.12Å; H202-A204 PolarHBondContact O-N 3.05Å; A204-L207 PolarHBondContact O-N 2.85Å; A204-N208 WeakPolarHBondContact O-CB 3.19Å; A204-N208 PolarHBondContact O-N 2.96Å
205S93.6Very high91.1Very high9 Ų923.3 Ų23.36%0.06315%0.148CC..Hα-helixtrans-68.7-38.8177.1172.20000111.9R47 H202 L203 N208 A209R47-S205 WeakPolarHBondContact CD-OG 3.16Å; H202-S205 PolarHBondContact O-N 3.46Å; H202-S205 VanDerWaalsContact O-N 3.13Å; L203-S205 PolarHBondContact O-N 2.67Å; S205-N208 PolarHBondContact O-N 3.46Å; S205-A209 PolarHBondContact O-N 3.23Å
206N95.8Very high90.7Very high6 Ų625.7 Ų25.73%0.03216%0.161CC..Hα-helixtrans-64.6-44.9175.1-68.7-23.2000110.8H202 L203 A209 L210 A224 I227 T228 R231H202-N206 VanDerWaalsContact O-CG 3.24Å; H202-N206 PolarHBondContact O-N 3.36Å; H202-N206 PolarHBondContact O-ND2 2.97Å; L203-N206 PolarHBondContact O-N 2.68Å; N206-A209 PolarHBondContact O-N 3.45Å; N206-L210 WeakPolarHBondContact O-CG 3.37Å; N206-A224 HydrophobicContact CB-CB 4.49Å; N206-I227 HydrophobicContact CB-CG2 4.23Å; N206-T228 PolarHBondContact ND2-OG1 3.24Å; N206-R231 PolarHBondContact OD1-NH1 3.41Å
207L95.2Very high90.5Very high0 Ų025.8 Ų25.80%016%0.162CC..Hα-helixtrans-59.4-48.7173.7175.164.9000111.9L167 F183 L203 A204 A209 L210 L221 A224 L251L167-L207 HydrophobicContact CD1-CD2 4.35Å; L167-L207 HydrophobicContact CD2-CD2 3.64Å; L167-L207 HydrophobicContact CD2-CG 4Å; F183-L207 HydrophobicContact CD2-CD2 3.77Å; F183-L207 HydrophobicContact CE2-CD2 4.09Å; L203-L207 WeakPolarHBondContact O-CB 3.4Å; L203-L207 PolarHBondContact O-N 3.21Å; A204-L207 PolarHBondContact O-N 2.85Å; L207-A209 VanDerWaalsContact C-N 3.28Å; L207-A209 PolarHBondContact O-N 2.89Å; L207-L210 WeakPolarHBondContact O-CB 3.28Å; L207-L210 PolarHBondContact O-N 3.36Å; L207-L221 HydrophobicContact CD1-CD2 4.11Å; L207-L221 HydrophobicContact CD1-CG 4.2Å; L207-L221 HydrophobicContact CD2-CD2 4.01Å; L207-A224 HydrophobicContact CB-CB 3.74Å; L207-A224 HydrophobicContact CD1-CB 4.22Å; L207-L251 HydrophobicContact CD2-CD1 4.19Å; L207-L251 HydrophobicContact CD2-CD2 3.69Å; L207-L251 HydrophobicContact CD2-CG 4.27Å
208N91.1Very high90.4Very high3 Ų331 Ų312%0.01618%0.18CC..Hα-helixtrans-60.4-37.9-180176.1-95.3000112.6R47 L167 M170 T171 A204 S205 L210 N211R47-N208 PolarHBondContact NH1-OD1 3.25Å; R47-N208 PolarHBondContact NH2-OD1 2.84Å; L167-N208 HydrophobicContact CD1-CB 4.11Å; L167-N208 HydrophobicContact CG-CB 4.46Å; L167-N208 PolarHBondContact O-ND2 2.82Å; M170-N208 HydrophobicContact CB-CB 4.14Å; M170-N208 VanDerWaalsContact CB-CG 3.44Å; M170-N208 WeakPolarHBondContact CB-OD1 2.83Å; M170-N208 HydrophobicContact SD-CB 4.01Å; T171-N208 WeakPolarHBondContact CG2-OD1 3.46Å; A204-N208 WeakPolarHBondContact O-CB 3.19Å; A204-N208 PolarHBondContact O-N 2.96Å; S205-N208 PolarHBondContact O-N 3.46Å; N208-L210 PolarHBondContact O-N 2.78Å; N208-L210 VanDerWaalsContact O-N 3.13Å; N208-N211 PolarHBondContact O-N 3.19Å; N208-N211 VanDerWaalsContact O-N 3.09Å
209A89.4Confident90.3Very high61 Ų6135.5 Ų35.550%0.50420%0.201SC..Hα-helixtrans-62.4-17.9177.700000113.7S205 N206 L207 N211S205-A209 PolarHBondContact O-N 3.23Å; N206-A209 PolarHBondContact O-N 3.45Å; L207-A209 VanDerWaalsContact C-N 3.28Å; L207-A209 PolarHBondContact O-N 2.89Å; A209-N211 VanDerWaalsContact C-N 3.32Å
210L89.3Confident90.2Very high54 Ų5435.9 Ų35.928%0.28320%0.204SC..THydrogen-bonded Turntrans-86.61.5177.9-60.9167.8000113.2N206 L207 N208 S212 S220 E223 A224 I227N206-L210 WeakPolarHBondContact O-CG 3.37Å; L207-L210 WeakPolarHBondContact O-CB 3.28Å; L207-L210 PolarHBondContact O-N 3.36Å; N208-L210 PolarHBondContact O-N 2.78Å; N208-L210 VanDerWaalsContact O-N 3.13Å; L210-S212 PolarHBondContact O-N 3.42Å; L210-S220 WeakPolarHBondContact CD1-O 3.46Å; L210-E223 HydrophobicContact CD1-CB 3.85Å; L210-E223 HydrophobicContact CD1-CG 3.82Å; L210-E223 HydrophobicContact CD2-CG 3.97Å; L210-A224 HydrophobicContact CD1-CB 4.16Å; L210-I227 HydrophobicContact CD1-CD1 4.38Å; L210-I227 HydrophobicContact CD2-CD1 4.15Å
211N79.5Confident90.2Very high100 Ų10035.5 Ų35.554%0.53520%0.201SC..THydrogen-bonded Turntrans50.353.1-178.5-60.4-58.8000112.3N208 A209 S213N208-N211 PolarHBondContact O-N 3.19Å; N208-N211 VanDerWaalsContact O-N 3.09Å; A209-N211 VanDerWaalsContact C-N 3.32Å; N211-S213 PolarHBondContact O-N 2.73Å
212S77.8Confident90.2Very high2 Ų237.3 Ų37.31%0.01421%0.21CC..  trans-64.7128.1-178.758.50000111.6H168 L210 N216H168-S212 PolarHBondContact NE2-O 3.09Å; H168-S212 VanDerWaalsContact NE2-O 3.08Å; L210-S212 PolarHBondContact O-N 3.42Å; S212-N216 WeakPolarHBondContact CA-OD1 3.41Å
213S74.5Confident90.3Very high48 Ų4840.2 Ų40.234%0.33622%0.223SC..  trans-123.6167.616765.50000109N211 S215 N216 I217N211-S213 PolarHBondContact O-N 2.73Å; S213-S215 PolarHBondContact O-N 2.82Å; S213-S215 PolarHBondContact OG-OG 3.43Å; S213-N216 PolarHBondContact N-OD1 3.06Å; S213-N216 PolarHBondContact O-N 3.37Å; S213-N216 PolarHBondContact O-OD1 2.82Å; S213-N216 PolarHBondContact OG-OD1 3.35Å; S213-I217 WeakPolarHBondContact O-CB 3.39Å; S213-I217 PolarHBondContact O-N 2.91Å
214D74Confident90.3Very high55 Ų5540.2 Ų40.229%0.29422%0.223SC..THydrogen-bonded Turntrans-50.8-25.9178.3-72.4-4.7000113.8Y258D214-Y258 PolarHBondContact OD1-OH 2.84Å
215S80.9Confident90.4Very high108 Ų10840 Ų4076%0.75522%0.222SC*.THydrogen-bonded Turntrans-79.7-21.8-178.269.20000115.6S213S213-S215 PolarHBondContact O-N 2.82Å; S213-S215 PolarHBondContact OG-OG 3.43Å
216N88.9Confident90.7Very high50 Ų5045.2 Ų45.227%0.26724%0.24SC..THydrogen-bonded Turntrans-131.18.4-177.867.9-2.7000112.9S212 S213 R218 E219 S220S212-N216 WeakPolarHBondContact CA-OD1 3.41Å; S213-N216 PolarHBondContact N-OD1 3.06Å; S213-N216 PolarHBondContact O-N 3.37Å; S213-N216 PolarHBondContact O-OD1 2.82Å; S213-N216 PolarHBondContact OG-OD1 3.35Å; N216-R218 PolarHBondContact O-N 3.28Å; N216-E219 PolarHBondContact O-N 3.47Å; N216-E219 VanDerWaalsContact O-N 3.15Å; N216-S220 PolarHBondContact O-N 2.85Å; N216-S220 PolarHBondContact O-OG 3.34Å
217I92.5Very high90.8Very high3 Ų346.1 Ų46.12%0.01524%0.244CC..Hα-helixtrans-55.3-35.6-173.4-161.971.1000113.1I181 S213 L221 L251 Y258I181-I217 HydrophobicContact CD1-CD1 4.18Å; S213-I217 WeakPolarHBondContact O-CB 3.39Å; S213-I217 PolarHBondContact O-N 2.91Å; I217-L221 HydrophobicContact CG1-CD1 4.36Å; I217-L221 VanDerWaalsContact O-CB 3.27Å; I217-L221 WeakPolarHBondContact O-CB 3.33Å; I217-L221 WeakPolarHBondContact O-CG 3.45Å; I217-L221 PolarHBondContact O-N 3.09Å; I217-L251 HydrophobicContact CD1-CD2 3.35Å; I217-L251 HydrophobicContact CG1-CD2 3.87Å; I217-Y258 HydrophobicContact CB-CD1 4.46Å; I217-Y258 HydrophobicContact CB-CE1 4.42Å; I217-Y258 HydrophobicContact CG1-CD1 4.26Å; I217-Y258 HydrophobicContact CG1-CD2 3.9Å; I217-Y258 HydrophobicContact CG1-CE2 4.19Å; I217-Y258 HydrophobicContact CG1-CG 3.91Å; I217-Y258 HydrophobicContact CG2-CD1 3.39Å; I217-Y258 HydrophobicContact CG2-CD2 4.36Å; I217-Y258 HydrophobicContact CG2-CE1 3.25Å; I217-Y258 HydrophobicContact CG2-CE2 4.26Å; I217-Y258 HydrophobicContact CG2-CG 3.94Å
218R95.4Very high91Very high120 Ų12046.1 Ų46.145%0.45324%0.244SC..Hα-helixtrans-63.5-57.3176.7177.8176.5175.6-1112.1110.1N216 S220 L221 L222 Y335N216-R218 PolarHBondContact O-N 3.28Å; R218-S220 VanDerWaalsContact C-N 3.3Å; R218-S220 PolarHBondContact O-N 2.85Å; R218-L221 PolarHBondContact O-N 2.71Å; R218-L221 VanDerWaalsContact O-N 3.16Å; R218-L222 HydrophobicContact CG-CD1 4.25Å; R218-L222 WeakPolarHBondContact O-CG 3.41Å; R218-L222 PolarHBondContact O-N 2.73Å; R218-Y335 HydrophobicContact CB-CD2 4.41Å; R218-Y335 HydrophobicContact CB-CE1 4.02Å; R218-Y335 HydrophobicContact CB-CE2 3.79Å; R218-Y335 HydrophobicContact CG-CD1 3.89Å; R218-Y335 HydrophobicContact CG-CD2 4.02Å; R218-Y335 HydrophobicContact CG-CE1 3.74Å; R218-Y335 HydrophobicContact CG-CE2 3.88Å; R218-Y335 HydrophobicContact CG-CG 4.02Å
219E96.7Very high91.3Very high100 Ų10046.7 Ų46.747%0.46725%0.247SC..Hα-helixtrans-60.9-41.6-178.9-68.367.2-147.900110.8N216 L221 E223N216-E219 PolarHBondContact O-N 3.47Å; N216-E219 VanDerWaalsContact O-N 3.15Å; E219-L221 PolarHBondContact O-N 2.86Å; E219-E223 VanDerWaalsContact O-CB 3.22Å; E219-E223 WeakPolarHBondContact O-CB 3.21Å; E219-E223 PolarHBondContact O-N 2.84Å
220S96Very high91.7Very high8 Ų847.5 Ų47.56%0.05624%0.24CC..Hα-helixtrans-63-39.6175.2-62.60000112.7L210 N216 R218 A224L210-S220 WeakPolarHBondContact CD1-O 3.46Å; N216-S220 PolarHBondContact O-N 2.85Å; N216-S220 PolarHBondContact O-OG 3.34Å; R218-S220 VanDerWaalsContact C-N 3.3Å; R218-S220 PolarHBondContact O-N 2.85Å; S220-A224 VanDerWaalsContact O-CB 3.25Å; S220-A224 WeakPolarHBondContact O-CB 3.47Å; S220-A224 PolarHBondContact O-N 3.5Å
221L96.3Very high92.1Very high0 Ų047.6 Ų47.60%024%0.237CC..Hα-helixtrans-66.3-49.9176.6-86.8169.7000112.2L207 I217 R218 E219 E223 A224 F225 L251 A260 Y335L207-L221 HydrophobicContact CD1-CD2 4.11Å; L207-L221 HydrophobicContact CD1-CG 4.2Å; L207-L221 HydrophobicContact CD2-CD2 4.01Å; I217-L221 HydrophobicContact CG1-CD1 4.36Å; I217-L221 VanDerWaalsContact O-CB 3.27Å; I217-L221 WeakPolarHBondContact O-CB 3.33Å; I217-L221 WeakPolarHBondContact O-CG 3.45Å; I217-L221 PolarHBondContact O-N 3.09Å; R218-L221 PolarHBondContact O-N 2.71Å; R218-L221 VanDerWaalsContact O-N 3.16Å; E219-L221 PolarHBondContact O-N 2.86Å; L221-E223 VanDerWaalsContact C-N 3.28Å; L221-E223 PolarHBondContact O-N 2.64Å; L221-A224 PolarHBondContact O-N 3.32Å; L221-F225 WeakPolarHBondContact O-CD2 3.42Å; L221-F225 PolarHBondContact O-N 2.94Å; L221-F225 VanDerWaalsContact O-N 3.09Å; L221-L251 HydrophobicContact CD1-CD1 4.15Å; L221-L251 HydrophobicContact CD1-CD2 4.12Å; L221-L251 HydrophobicContact CD2-CD1 3.69Å; L221-L251 HydrophobicContact CD2-CD2 4.2Å; L221-L251 HydrophobicContact CG-CD1 4.39Å; L221-L251 HydrophobicContact CG-CD2 4.21Å; L221-A260 HydrophobicContact CB-CB 4.29Å; L221-A260 HydrophobicContact CD1-CB 4.34Å; L221-A260 HydrophobicContact CD2-CB 4.37Å; L221-Y335 HydrophobicContact CD1-CE2 4.16Å
222L97.9Very high93Very high51 Ų5142.9 Ų42.927%0.26721%0.212SC..Hα-helixtrans-59.3-42.9178.7-61-178.8000111R218 F225 R226 P333R218-L222 HydrophobicContact CG-CD1 4.25Å; R218-L222 WeakPolarHBondContact O-CG 3.41Å; R218-L222 PolarHBondContact O-N 2.73Å; L222-F225 PolarHBondContact O-N 3.31Å; L222-R226 PolarHBondContact O-N 2.92Å; L222-P333 HydrophobicContact CD2-CG 3.59Å
223E97.8Very high93.9Very high63 Ų6344.4 Ų44.429%0.29422%0.219SC..Hα-helixtrans-68.5-36177.6-177.960.9-170.200112.4L210 E219 L221 F225 R226 I227L210-E223 HydrophobicContact CD1-CB 3.85Å; L210-E223 HydrophobicContact CD1-CG 3.82Å; L210-E223 HydrophobicContact CD2-CG 3.97Å; E219-E223 VanDerWaalsContact O-CB 3.22Å; E219-E223 WeakPolarHBondContact O-CB 3.21Å; E219-E223 PolarHBondContact O-N 2.84Å; L221-E223 VanDerWaalsContact C-N 3.28Å; L221-E223 PolarHBondContact O-N 2.64Å; E223-F225 VanDerWaalsContact C-N 3.35Å; E223-F225 PolarHBondContact O-N 2.83Å; E223-R226 VanDerWaalsContact CD-NE 3.34Å; E223-R226 WeakPolarHBondContact O-CB 3.34Å; E223-R226 PolarHBondContact O-N 2.92Å; E223-R226 IonicContact OE1-CZ 3.44Å; E223-R226 IonicContact OE1-NE 3.28Å; E223-R226 PolarHBondContact OE1-NE 3.46Å; E223-R226 IonicContact OE1-NH2 3.06Å; E223-R226 PolarHBondContact OE1-NH2 3.33Å; E223-R226 WeakPolarHBondContact OE2-CD 3.49Å; E223-R226 IonicContact OE2-CZ 3.57Å; E223-R226 IonicContact OE2-NE 2.66Å; E223-R226 PolarHBondContact OE2-NE 2.85Å; E223-R226 IonicContact OE2-NH2 3.99Å; E223-I227 HydrophobicContact CG-CD1 3.87Å; E223-I227 HydrophobicContact CG-CG1 4.35Å; E223-I227 VanDerWaalsContact O-CG1 3.3Å; E223-I227 WeakPolarHBondContact O-CG1 3.46Å; E223-I227 PolarHBondContact O-N 3.14Å
224A98.1Very high94.9Very high0 Ų046.7 Ų46.70%022%0.223CC..Hα-helixtrans-62.7-40.417500000112.3N206 L207 L210 S220 L221 T228N206-A224 HydrophobicContact CB-CB 4.49Å; L207-A224 HydrophobicContact CB-CB 3.74Å; L207-A224 HydrophobicContact CD1-CB 4.22Å; L210-A224 HydrophobicContact CD1-CB 4.16Å; S220-A224 VanDerWaalsContact O-CB 3.25Å; S220-A224 WeakPolarHBondContact O-CB 3.47Å; S220-A224 PolarHBondContact O-N 3.5Å; L221-A224 PolarHBondContact O-N 3.32Å; A224-T228 VanDerWaalsContact O-CB 3.3Å; A224-T228 WeakPolarHBondContact O-CB 3.18Å; A224-T228 PolarHBondContact O-N 2.97Å; A224-T228 PolarHBondContact O-OG1 3.26Å
225F98.7Very high95.8Very high0 Ų045 Ų450%021%0.213CC..Hα-helixtrans-62.7-46.9171.9-89.1-105.9000111.1L203 L221 L222 E223 I227 T228 E229 A247 T249 A260 V262 L320 P333L203-F225 HydrophobicContact CD1-CD1 4.31Å; L203-F225 HydrophobicContact CD1-CD2 4.05Å; L203-F225 HydrophobicContact CD1-CE1 4.23Å; L203-F225 HydrophobicContact CD1-CE2 3.98Å; L203-F225 HydrophobicContact CD1-CG 4.23Å; L203-F225 HydrophobicContact CD1-CZ 4.07Å; L203-F225 HydrophobicContact CD2-CE2 4.33Å; L221-F225 WeakPolarHBondContact O-CD2 3.42Å; L221-F225 PolarHBondContact O-N 2.94Å; L221-F225 VanDerWaalsContact O-N 3.09Å; L222-F225 PolarHBondContact O-N 3.31Å; E223-F225 VanDerWaalsContact C-N 3.35Å; E223-F225 PolarHBondContact O-N 2.83Å; F225-I227 PolarHBondContact O-N 3.07Å; F225-T228 PolarHBondContact O-N 3.18Å; F225-E229 PolarHBondContact O-N 3.39Å; F225-A247 HydrophobicContact CE1-CB 3.87Å; F225-A247 HydrophobicContact CZ-CB 4.25Å; F225-T249 HydrophobicContact CE2-CG2 3.83Å; F225-T249 HydrophobicContact CZ-CG2 3.77Å; F225-A260 HydrophobicContact CD2-CB 4.44Å; F225-A260 HydrophobicContact CE2-CB 3.8Å; F225-A260 HydrophobicContact CZ-CB 4.31Å; F225-V262 HydrophobicContact CD1-CG1 4.44Å; F225-V262 HydrophobicContact CE1-CG1 4.41Å; F225-V262 HydrophobicContact CE1-CG2 4.23Å; F225-L320 HydrophobicContact CD1-CD2 4.26Å; F225-P333 HydrophobicContact CB-CB 4.48Å; F225-P333 HydrophobicContact CB-CG 3.79Å; F225-P333 HydrophobicContact CD1-CB 3.77Å; F225-P333 HydrophobicContact CD1-CG 4.02Å; F225-P333 HydrophobicContact CD2-CB 4.34Å; F225-P333 HydrophobicContact CD2-CG 4.19Å; F225-P333 HydrophobicContact CE1-CB 3.98Å; F225-P333 HydrophobicContact CG-CB 3.96Å; F225-P333 HydrophobicContact CG-CG 3.75Å; F225-P333 HydrophobicContact CZ-CB 4.36Å
226R98.6Very high96.5Very high118 Ų11839.9 Ų39.945%0.44518%0.177SC..Hα-helixtrans-58.2-48178.2-166-16269.3700.3112.4L222 E223 T228 E229 E230L222-R226 PolarHBondContact O-N 2.92Å; E223-R226 VanDerWaalsContact CD-NE 3.34Å; E223-R226 WeakPolarHBondContact O-CB 3.34Å; E223-R226 PolarHBondContact O-N 2.92Å; E223-R226 IonicContact OE1-CZ 3.44Å; E223-R226 IonicContact OE1-NE 3.28Å; E223-R226 PolarHBondContact OE1-NE 3.46Å; E223-R226 IonicContact OE1-NH2 3.06Å; E223-R226 PolarHBondContact OE1-NH2 3.33Å; E223-R226 WeakPolarHBondContact OE2-CD 3.49Å; E223-R226 IonicContact OE2-CZ 3.57Å; E223-R226 IonicContact OE2-NE 2.66Å; E223-R226 PolarHBondContact OE2-NE 2.85Å; E223-R226 IonicContact OE2-NH2 3.99Å; R226-T228 VanDerWaalsContact C-N 3.35Å; R226-E229 PolarHBondContact O-N 3.47Å; R226-E230 IonicContact CZ-OE2 2.83Å; R226-E230 IonicContact NH1-OE2 3.17Å; R226-E230 PolarHBondContact NH1-OE2 2.78Å; R226-E230 IonicContact NH2-OE2 3.53Å; R226-E230 WeakPolarHBondContact O-CB 3.42Å; R226-E230 PolarHBondContact O-N 2.99Å
227I98.4Very high96.8Very high25 Ų2544.1 Ų44.113%0.12819%0.193CC..Hα-helixtrans-62.2-43.9177.3-68.4167.6000110.4N206 L210 E223 F225 E230 R231N206-I227 HydrophobicContact CB-CG2 4.23Å; L210-I227 HydrophobicContact CD1-CD1 4.38Å; L210-I227 HydrophobicContact CD2-CD1 4.15Å; E223-I227 HydrophobicContact CG-CD1 3.87Å; E223-I227 HydrophobicContact CG-CG1 4.35Å; E223-I227 VanDerWaalsContact O-CG1 3.3Å; E223-I227 WeakPolarHBondContact O-CG1 3.46Å; E223-I227 PolarHBondContact O-N 3.14Å; F225-I227 PolarHBondContact O-N 3.07Å; I227-E230 PolarHBondContact O-N 3.33Å; I227-R231 WeakPolarHBondContact O-CG 3.31Å; I227-R231 PolarHBondContact O-N 3.01Å; I227-R231 VanDerWaalsContact O-N 3.07Å
228T98.7Very high96.7Very high0 Ų047.9 Ų47.90%021%0.208CC..Hα-helixtrans-62-46.8179.8-570000111.1Y198 L203 N206 A224 F225 R226 L232 L320Y198-T228 HydrophobicContact CD1-CG2 4.27Å; Y198-T228 HydrophobicContact CE1-CG2 4.21Å; L203-T228 HydrophobicContact CB-CG2 4.32Å; L203-T228 HydrophobicContact CD1-CG2 4.38Å; N206-T228 PolarHBondContact ND2-OG1 3.24Å; A224-T228 VanDerWaalsContact O-CB 3.3Å; A224-T228 WeakPolarHBondContact O-CB 3.18Å; A224-T228 PolarHBondContact O-N 2.97Å; A224-T228 PolarHBondContact O-OG1 3.26Å; F225-T228 PolarHBondContact O-N 3.18Å; R226-T228 VanDerWaalsContact C-N 3.35Å; T228-L232 WeakPolarHBondContact O-CB 3.48Å; T228-L232 PolarHBondContact O-N 3.22Å; T228-L320 HydrophobicContact CG2-CD1 4.35Å
229E98.7Very high96.6Very high15 Ų1544.7 Ų44.77%0.0720%0.198CC..Hα-helixtrans-62.2-47.6175.9176.566.9171.100111.6F225 R226 R231 L232 L233 L320 G321 K326 A331F225-E229 PolarHBondContact O-N 3.39Å; R226-E229 PolarHBondContact O-N 3.47Å; E229-R231 VanDerWaalsContact C-N 3.32Å; E229-R231 PolarHBondContact O-N 2.57Å; E229-L232 PolarHBondContact O-N 2.98Å; E229-L233 HydrophobicContact CG-CD1 4Å; E229-L233 HydrophobicContact CG-CG 4.18Å; E229-L233 WeakPolarHBondContact O-CB 3.08Å; E229-L233 VanDerWaalsContact O-CG 3.31Å; E229-L233 WeakPolarHBondContact O-CG 3.44Å; E229-L233 PolarHBondContact O-N 3.04Å; E229-L233 WeakPolarHBondContact OE1-CD1 3.5Å; E229-L320 HydrophobicContact CB-CD2 4.06Å; E229-L320 WeakPolarHBondContact OE2-CA 3.45Å; E229-G321 PolarHBondContact OE2-N 3.49Å; E229-K326 VanDerWaalsContact OE1-CE 3.25Å; E229-K326 WeakPolarHBondContact OE1-CE 3.44Å; E229-K326 IonicContact OE1-NZ 3.5Å; E229-K326 PolarHBondContact OE1-NZ 2.84Å; E229-A331 HydrophobicContact CB-CB 4.12Å; E229-A331 HydrophobicContact CG-CB 3.55Å
230E98.2Very high96.4Very high78 Ų7846.9 Ų46.936%0.36421%0.208SC..Hα-helixtrans-56.9-46.8-178.2-171.1-165.7141.800111.5R226 I227 K234R226-E230 IonicContact CZ-OE2 2.83Å; R226-E230 IonicContact NH1-OE2 3.17Å; R226-E230 PolarHBondContact NH1-OE2 2.78Å; R226-E230 IonicContact NH2-OE2 3.53Å; R226-E230 WeakPolarHBondContact O-CB 3.42Å; R226-E230 PolarHBondContact O-N 2.99Å; I227-E230 PolarHBondContact O-N 3.33Å; E230-K234 WeakPolarHBondContact O-CG 3.49Å; E230-K234 PolarHBondContact O-N 3.27Å; E230-K234 WeakPolarHBondContact OE1-CE 3.37Å; E230-K234 IonicContact OE1-NZ 2.78Å; E230-K234 PolarHBondContact OE1-NZ 3.46Å
231R97.2Very high96.4Very high56 Ų5647.7 Ų47.721%0.21121%0.211CC..Hα-helixtrans-72.3-39179.2-64.4-178.6175.7162.75.3112.3E44 Y198 N206 I227 E229 L233 K234 K235E44-R231 PolarHBondContact O-NH1 3.1Å; E44-R231 IonicContact OE2-NE 3.21Å; E44-R231 PolarHBondContact OE2-NE 3.19Å; Y198-R231 HydrophobicContact CE1-CB 4.39Å; Y198-R231 WeakPolarHBondContact OH-CB 3.29Å; N206-R231 PolarHBondContact OD1-NH1 3.41Å; I227-R231 WeakPolarHBondContact O-CG 3.31Å; I227-R231 PolarHBondContact O-N 3.01Å; I227-R231 VanDerWaalsContact O-N 3.07Å; E229-R231 VanDerWaalsContact C-N 3.32Å; E229-R231 PolarHBondContact O-N 2.57Å; R231-L233 PolarHBondContact O-N 3.45Å; R231-K234 WeakPolarHBondContact O-CB 3.47Å; R231-K234 PolarHBondContact O-N 3.14Å; R231-K235 PolarHBondContact O-N 3.47Å
232L97.4Very high96.3Very high1 Ų153.3 Ų53.31%0.00523%0.232CC..Hα-helixtrans-57.9-47.8173.117655.7000110.9Y198 T228 E229 K234 K235 C236 L320Y198-L232 HydrophobicContact CD1-CB 3.7Å; Y198-L232 HydrophobicContact CD1-CD1 3.87Å; Y198-L232 HydrophobicContact CD1-CD2 4.49Å; Y198-L232 HydrophobicContact CD1-CG 4.22Å; Y198-L232 HydrophobicContact CD2-CD1 4.46Å; Y198-L232 HydrophobicContact CE1-CB 3.78Å; Y198-L232 HydrophobicContact CG-CB 4.45Å; Y198-L232 HydrophobicContact CG-CD1 3.8Å; T228-L232 WeakPolarHBondContact O-CB 3.48Å; T228-L232 PolarHBondContact O-N 3.22Å; E229-L232 PolarHBondContact O-N 2.98Å; L232-K234 VanDerWaalsContact C-N 3.33Å; L232-K234 PolarHBondContact O-N 2.88Å; L232-K235 CarbonylContact O-C 3.46Å; L232-K235 WeakPolarHBondContact O-CA 3.21Å; L232-K235 WeakPolarHBondContact O-CB 3.16Å; L232-K235 PolarHBondContact O-N 2.93Å; L232-C236 PolarHBondContact O-N 3.29Å; L232-C236 PolarHBondContact O-SG 3.05Å; L232-L320 HydrophobicContact CD2-CB 4Å
233L97.7Very high96.3Very high34 Ų3451 Ų5118%0.17822%0.22CC..Hα-helixtrans-63.2-36.2178.5-68.4-177.5000112.5E229 R231 C236 K237 I323E229-L233 HydrophobicContact CG-CD1 4Å; E229-L233 HydrophobicContact CG-CG 4.18Å; E229-L233 WeakPolarHBondContact O-CB 3.08Å; E229-L233 VanDerWaalsContact O-CG 3.31Å; E229-L233 WeakPolarHBondContact O-CG 3.44Å; E229-L233 PolarHBondContact O-N 3.04Å; E229-L233 WeakPolarHBondContact OE1-CD1 3.5Å; R231-L233 PolarHBondContact O-N 3.45Å; L233-C236 PolarHBondContact O-N 3.48Å; L233-K237 VanDerWaalsContact O-CG 3.31Å; L233-K237 WeakPolarHBondContact O-CG 3.5Å; L233-K237 PolarHBondContact O-N 3.07Å; L233-I323 HydrophobicContact CD2-CB 3.86Å; L233-I323 HydrophobicContact CD2-CD1 4.19Å; L233-I323 HydrophobicContact CD2-CG1 3.96Å
234K95.2Very high96.3Very high96 Ų9648 Ų4842%0.41721%0.206SC..Hα-helixtrans-60.1-45.3170.8-70171.8-169.3166.80110.7E230 R231 L232 R238E230-K234 WeakPolarHBondContact O-CG 3.49Å; E230-K234 PolarHBondContact O-N 3.27Å; E230-K234 WeakPolarHBondContact OE1-CE 3.37Å; E230-K234 IonicContact OE1-NZ 2.78Å; E230-K234 PolarHBondContact OE1-NZ 3.46Å; R231-K234 WeakPolarHBondContact O-CB 3.47Å; R231-K234 PolarHBondContact O-N 3.14Å; L232-K234 VanDerWaalsContact C-N 3.33Å; L232-K234 PolarHBondContact O-N 2.88Å; K234-R238 WeakPolarHBondContact O-CB 3.35Å; K234-R238 PolarHBondContact O-N 3.06Å; K234-R238 VanDerWaalsContact O-N 3.14Å
235K93.5Very high96.3Very high19 Ų1948 Ų488%0.08321%0.206CC..Hα-helixtrans-62.8-46.8175.5-174.3169-175.7159.70111.8D39 Y198 R231 L232 K237 R238 Q239 L241D39-K235 IonicContact OD1-NZ 3.87Å; Y198-K235 HydrophobicContact CD2-CD 3.72Å; Y198-K235 HydrophobicContact CE2-CD 3.92Å; R231-K235 PolarHBondContact O-N 3.47Å; L232-K235 CarbonylContact O-C 3.46Å; L232-K235 WeakPolarHBondContact O-CA 3.21Å; L232-K235 WeakPolarHBondContact O-CB 3.16Å; L232-K235 PolarHBondContact O-N 2.93Å; K235-K237 PolarHBondContact O-N 2.95Å; K235-R238 PolarHBondContact O-N 3.22Å; K235-Q239 HydrophobicContact CG-CG 4.49Å; K235-Q239 WeakPolarHBondContact O-CB 3.31Å; K235-Q239 PolarHBondContact O-N 3.4Å; K235-L241 HydrophobicContact CG-CD1 4.26Å
236C94.8Very high96.3Very high0 Ų048 Ų480%021%0.206CC..Hα-helixtrans-59.5-43.2178.5-680000112.5L232 L233 H240 L241 I323L232-C236 PolarHBondContact O-N 3.29Å; L232-C236 PolarHBondContact O-SG 3.05Å; L233-C236 PolarHBondContact O-N 3.48Å; C236-H240 CarbonylContact O-C 3.6Å; C236-H240 VanDerWaalsContact O-CA 3.23Å; C236-H240 WeakPolarHBondContact O-CA 3.11Å; C236-H240 PolarHBondContact O-N 2.86Å; C236-L241 HydrophobicContact CB-CB 4.18Å; C236-L241 PolarHBondContact O-N 2.8Å; C236-I323 HydrophobicContact CB-CD1 4.41Å; C236-I323 HydrophobicContact CB-CG2 4.5Å
237K95Very high96.3Very high139 Ų13942.4 Ų42.460%0.60419%0.185SC*.Hα-helixtrans-61.6-48.5175.2-72.3175.1-174.6175.50111.8L233 K235 I323L233-K237 VanDerWaalsContact O-CG 3.31Å; L233-K237 WeakPolarHBondContact O-CG 3.5Å; L233-K237 PolarHBondContact O-N 3.07Å; K235-K237 PolarHBondContact O-N 2.95Å; K237-I323 HydrophobicContact CD-CD1 4.1Å; K237-I323 HydrophobicContact CG-CD1 3.32Å
238R91.5Very high96.4Very high83 Ų8341.2 Ų41.231%0.31318%0.179SC..Hα-helixtrans-66.1-39-176.9177.9173.355.392.8-1.9112.9Q40 K234 K235Q40-R238 PolarHBondContact O-NH1 3.46Å; Q40-R238 PolarHBondContact O-NH2 2.84Å; K234-R238 WeakPolarHBondContact O-CB 3.35Å; K234-R238 PolarHBondContact O-N 3.06Å; K234-R238 VanDerWaalsContact O-N 3.14Å; K235-R238 PolarHBondContact O-N 3.22Å
239Q91.5Very high96.4Very high52 Ų5241.2 Ų41.224%0.24318%0.179CC..Hα-helixtrans-102.45.7-175.3-64.9-174.7-13.900113.4D39 K235 L241D39-Q239 PolarHBondContact OD1-NE2 3.46Å; K235-Q239 HydrophobicContact CG-CG 4.49Å; K235-Q239 WeakPolarHBondContact O-CB 3.31Å; K235-Q239 PolarHBondContact O-N 3.4Å; Q239-L241 HydrophobicContact CB-CD1 4.15Å; Q239-L241 HydrophobicContact CB-CD2 4.13Å; Q239-L241 HydrophobicContact CB-CG 3.8Å; Q239-L241 PolarHBondContact O-N 3.09Å
240H93.9Very high96.4Very high147 Ų14740.5 Ų40.568%0.68118%0.176SC*.THydrogen-bonded Turntrans54.335-176.6-55.1-62.6000114.2C236C236-H240 CarbonylContact O-C 3.6Å; C236-H240 VanDerWaalsContact O-CA 3.23Å; C236-H240 WeakPolarHBondContact O-CA 3.11Å; C236-H240 PolarHBondContact O-N 2.86Å
241L94.5Very high96.3Very high24 Ų2436.8 Ų36.813%0.12616%0.159CC..  trans-78.7139.1178.5-49.5173.5000110.2E194 K235 C236 Q239E194-L241 HydrophobicContact CB-CD1 3.9Å; E194-L241 HydrophobicContact CB-CD2 4.47Å; E194-L241 HydrophobicContact CG-CD1 4.25Å; E194-L241 HydrophobicContact CG-CD2 4.03Å; K235-L241 HydrophobicContact CG-CD1 4.26Å; C236-L241 HydrophobicContact CB-CB 4.18Å; C236-L241 PolarHBondContact O-N 2.8Å; Q239-L241 HydrophobicContact CB-CD1 4.15Å; Q239-L241 HydrophobicContact CB-CD2 4.13Å; Q239-L241 HydrophobicContact CB-CG 3.8Å; Q239-L241 PolarHBondContact O-N 3.09Å
242R96.1Very high96.2Very high119 Ų11934.2 Ų34.245%0.44915%0.149SC..  trans-120.2-0.5-179.5-55.3-52.5-169.6-174.20.4113.4I323 Q324R242-I323 VanDerWaalsContact NH1-CG2 3.29Å; R242-Q324 VanDerWaalsContact CD-CD 3.42Å
243S96.6Very high96Very high1 Ų134.2 Ų34.21%0.00715%0.149CC..  trans-63.1156.3177560000111.6H190 S195 D322H190-S243 VanDerWaalsContact O-CA 3.29Å; H190-S243 WeakPolarHBondContact O-CA 3.29Å; H190-S243 WeakPolarHBondContact O-CB 3.18Å; S195-S243 PolarHBondContact N-OG 3.42Å; S195-S243 PolarHBondContact OG-O 3.19Å; S195-S243 PolarHBondContact OG-OG 3.01Å; S243-D322 PolarHBondContact O-N 2.68Å
244G98.3Very high95.6Very high0 Ų035.2 Ų35.20%016%0.159CC..EExtended strand (participates in β ladder)trans-130.517816500000111H190 L320 D322H190-G244 PolarHBondContact N-O 3.04Å; H190-G244 WeakPolarHBondContact NE2-CA 3.47Å; H190-G244 PolarHBondContact O-N 3.25Å; G244-L320 CarbonylContact C-O 3.43Å; G244-L320 WeakPolarHBondContact CA-O 3.4Å; G244-D322 WeakPolarHBondContact CA-OD2 3.14Å; G244-D322 PolarHBondContact N-OD1 3.08Å
245C98.6Very high95.4Very high0 Ų033.4 Ų33.40%016%0.158CC..EExtended strand (participates in β ladder)trans-155.1154.5169.168.50000112.1D188 H190 S195 A196 S319 L320D188-C245 CarbonylContact O-C 3.57Å; D188-C245 WeakPolarHBondContact O-CA 3.32Å; D188-C245 WeakPolarHBondContact O-CB 3.47Å; H190-C245 PolarHBondContact CE1-N 2.82Å; S195-C245 VanDerWaalsContact C-SG 3.58Å; A196-C245 VanDerWaalsContact CA-SG 3.58Å; A196-C245 HydrophobicContact CB-CB 3.6Å; C245-S319 WeakPolarHBondContact O-CA 3.46Å; C245-S319 WeakPolarHBondContact O-CB 3.15Å; C245-L320 PolarHBondContact N-O 3.27Å; C245-L320 PolarHBondContact O-N 3.49Å
246T98.7Very high95.5Very high1 Ų132.7 Ų32.71%0.00616%0.156CC..  trans-71.8162.7157.974.90000109.3F187 D188 V262 D264 S265 V316F187-T246 WeakPolarHBondContact CA-O 3.3Å; D188-T246 HydrophobicContact CB-CG2 4.35Å; D188-T246 WeakPolarHBondContact CB-OG1 3.22Å; D188-T246 PolarHBondContact N-OG1 3.43Å; D188-T246 PolarHBondContact O-N 2.73Å; D188-T246 PolarHBondContact O-OG1 2.78Å; T246-V262 WeakPolarHBondContact CA-O 3.32Å; T246-V262 WeakPolarHBondContact CB-O 3.47Å; T246-D264 WeakPolarHBondContact CG2-OD1 3.5Å; T246-S265 PolarHBondContact OG1-OG 2.77Å; T246-V316 HydrophobicContact CG2-CG1 4.42Å
247A98.9Very high95.7Very high0 Ų032.7 Ų32.70%016%0.156CC..EExtended strand (participates in β ladder)trans-150.8119.2170.800000108.3F187 F225 W261 V262 L320F187-A247 HydrophobicContact CD1-CB 3.56Å; F187-A247 HydrophobicContact CE1-CB 3.66Å; F225-A247 HydrophobicContact CE1-CB 3.87Å; F225-A247 HydrophobicContact CZ-CB 4.25Å; A247-W261 CarbonylContact O-C 3.55Å; A247-W261 WeakPolarHBondContact O-CA 3.38Å; A247-W261 WeakPolarHBondContact O-CB 3.28Å; A247-V262 HydrophobicContact CB-CG2 4.04Å; A247-V262 PolarHBondContact N-O 2.97Å; A247-V262 PolarHBondContact O-N 3.36Å; A247-L320 HydrophobicContact CB-CD1 3.9Å; A247-L320 HydrophobicContact CB-CG 4.46Å
248L98.9Very high95.8Very high1 Ų126.7 Ų26.71%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-118.3124.2172.7166.865000108.3A185 V186 T259 W261 A267 L349A185-L248 CarbonylContact C-O 3.51Å; A185-L248 WeakPolarHBondContact CA-O 3.24Å; A185-L248 WeakPolarHBondContact CB-O 3.41Å; V186-L248 HydrophobicContact CG2-CB 3.92Å; V186-L248 HydrophobicContact CG2-CD2 4.06Å; V186-L248 HydrophobicContact CG2-CG 4.35Å; V186-L248 PolarHBondContact N-O 2.84Å; V186-L248 PolarHBondContact O-N 2.98Å; L248-T259 HydrophobicContact CD1-CG2 3.67Å; L248-W261 HydrophobicContact CB-CB 4.28Å; L248-W261 HydrophobicContact CD1-CB 3.75Å; L248-W261 HydrophobicContact CD1-CG 4.49Å; L248-A267 HydrophobicContact CD1-CB 4.1Å; L248-A267 HydrophobicContact CD2-CB 3.89Å; L248-A267 HydrophobicContact CG-CB 4.43Å; L248-L349 HydrophobicContact CD2-CB 4.27Å; L248-L349 HydrophobicContact CD2-CG 4.17Å; L248-L349 HydrophobicContact CG-CD2 4.37Å; L248-L349 HydrophobicContact CG-CG 4.42Å
249T98.8Very high96.2Very high0 Ų022.8 Ų22.80%012%0.115CC..EExtended strand (participates in β ladder)trans-121.4137-179.566.80000110.3F183 F184 A185 L203 F225 T259 A260F183-T249 HydrophobicContact CE2-CG2 4Å; F183-T249 HydrophobicContact CZ-CG2 3.85Å; F184-T249 CarbonylContact O-C 3.58Å; F184-T249 WeakPolarHBondContact O-CA 3.46Å; A185-T249 HydrophobicContact CB-CG2 3.87Å; L203-T249 HydrophobicContact CD2-CG2 3.63Å; F225-T249 HydrophobicContact CE2-CG2 3.83Å; F225-T249 HydrophobicContact CZ-CG2 3.77Å; T249-T259 VanDerWaalsContact O-CA 3.26Å; T249-T259 WeakPolarHBondContact O-CA 3.4Å; T249-A260 PolarHBondContact N-O 3.36Å; T249-A260 PolarHBondContact O-N 3.32Å; T249-A260 PolarHBondContact OG1-O 3.05Å
250C98.6Very high96.5Very high0 Ų020.3 Ų20.30%010%0.103CC..EExtended strand (participates in β ladder)trans-126.8125.4168.5-680000109.7F184 I257 Y258 L347 L349F184-C250 PolarHBondContact N-O 2.81Å; F184-C250 PolarHBondContact O-N 2.89Å; C250-I257 HydrophobicContact CB-CG2 4.46Å; C250-Y258 CarbonylContact C-O 3.58Å; C250-Y258 VanDerWaalsContact CA-O 3.28Å; C250-Y258 WeakPolarHBondContact CA-O 3.47Å; C250-L347 HydrophobicContact CB-CD2 3.99Å; C250-L349 HydrophobicContact CB-CD1 4.06Å; C250-L349 HydrophobicContact CB-CD2 3.98Å; C250-L349 HydrophobicContact CB-CG 4.44Å
251L97.2Very high96.7Very high0 Ų014.3 Ų14.30%08%0.075CC..EExtended strand (participates in β ladder)trans-103.1128.6170.8-75.560.5000108.2L167 I181 S182 F183 L207 I217 L221 I257 Y258L167-L251 HydrophobicContact CD2-CD2 4.45Å; I181-L251 HydrophobicContact CG2-CB 3.91Å; I181-L251 HydrophobicContact CG2-CD2 4.13Å; I181-L251 HydrophobicContact CG2-CG 4.17Å; S182-L251 CarbonylContact O-C 3.44Å; S182-L251 WeakPolarHBondContact O-CA 3.45Å; F183-L251 HydrophobicContact CD2-CD1 3.62Å; F183-L251 HydrophobicContact CD2-CG 4.2Å; F183-L251 HydrophobicContact CE2-CD1 4.1Å; L207-L251 HydrophobicContact CD2-CD1 4.19Å; L207-L251 HydrophobicContact CD2-CD2 3.69Å; L207-L251 HydrophobicContact CD2-CG 4.27Å; I217-L251 HydrophobicContact CD1-CD2 3.35Å; I217-L251 HydrophobicContact CG1-CD2 3.87Å; L221-L251 HydrophobicContact CD1-CD1 4.15Å; L221-L251 HydrophobicContact CD1-CD2 4.12Å; L221-L251 HydrophobicContact CD2-CD1 3.69Å; L221-L251 HydrophobicContact CD2-CD2 4.2Å; L221-L251 HydrophobicContact CG-CD1 4.39Å; L221-L251 HydrophobicContact CG-CD2 4.21Å; L251-I257 CarbonylContact O-C 3.56Å; L251-I257 VanDerWaalsContact O-CA 3.29Å; L251-I257 WeakPolarHBondContact O-CA 3.41Å; L251-Y258 HydrophobicContact CB-CD2 4.19Å; L251-Y258 PolarHBondContact N-O 2.89Å; L251-Y258 PolarHBondContact O-N 3.21Å
252V95.7Very high97Very high1 Ų113.2 Ų13.21%0.0067%0.069CC..EExtended strand (participates in β ladder)trans-114.3109.9-178.6-173.10000108.3P143 S182 F184 I257 L347 L407P143-V252 HydrophobicContact CG-CB 4.11Å; P143-V252 HydrophobicContact CG-CG1 3.67Å; S182-V252 PolarHBondContact N-O 2.85Å; S182-V252 PolarHBondContact O-N 3.39Å; F184-V252 HydrophobicContact CD2-CG2 4.03Å; F184-V252 HydrophobicContact CE2-CB 4.41Å; F184-V252 HydrophobicContact CE2-CG2 3.96Å; V252-I257 HydrophobicContact CG1-CG1 4.3Å; V252-I257 HydrophobicContact CG2-CG1 4.35Å; V252-L347 HydrophobicContact CG2-CD2 3.81Å; V252-L407 HydrophobicContact CG1-CD2 4Å
253S92.4Very high97.1Very high1 Ų17.6 Ų7.61%0.0075%0.048CC..  trans-97.5177.2168.278.30000110.2S255 A256 R340S253-S255 PolarHBondContact O-N 2.96Å; S253-S255 PolarHBondContact OG-N 3.34Å; S253-S255 PolarHBondContact OG-OG 2.9Å; S253-A256 PolarHBondContact N-O 3.27Å; S253-A256 PolarHBondContact OG-N 2.66Å; S253-A256 VanDerWaalsContact OG-N 3.11Å; S253-A256 PolarHBondContact OG-O 2.81Å; S253-R340 WeakPolarHBondContact O-CD 3.47Å; S253-R340 PolarHBondContact O-NH1 2.64Å
254S89.4Confident97.1Very high55 Ų559 Ų939%0.3856%0.055SC..SBendtrans-58.1-29.2173.2600000113N179N179-S254 PolarHBondContact OD1-OG 3.46Å
255S91.5Very high97.1Very high58 Ų589.1 Ų9.141%0.4066%0.056SC..SBendtrans-112.2-24.3-169.672.50000114.7S253 R340S253-S255 PolarHBondContact O-N 2.96Å; S253-S255 PolarHBondContact OG-N 3.34Å; S253-S255 PolarHBondContact OG-OG 2.9Å; S255-R340 PolarHBondContact O-N 3.39Å
256A95.6Very high97.2Very high4 Ų49.7 Ų9.73%0.0336%0.059CC..EExtended strand (participates in β ladder)trans-149.8161.3-171.300000113.1S253 Y258 M337 V338S253-A256 PolarHBondContact N-O 3.27Å; S253-A256 PolarHBondContact OG-N 2.66Å; S253-A256 VanDerWaalsContact OG-N 3.11Å; S253-A256 PolarHBondContact OG-O 2.81Å; A256-Y258 HydrophobicContact CB-CE1 4.11Å; A256-Y258 HydrophobicContact CB-CE2 3.81Å; A256-M337 HydrophobicContact CB-CG 4.37Å; A256-M337 HydrophobicContact CB-SD 4.26Å; A256-V338 CarbonylContact C-O 3.58Å; A256-V338 WeakPolarHBondContact CA-O 3.47Å
257I97.8Very high97.2Very high0 Ų09.7 Ų9.70%06%0.059CC..EExtended strand (participates in β ladder)trans-117.4123170-61.8162.8000107.2C250 L251 V252 I269 L279 M337 V338 R340 L347 L407C250-I257 HydrophobicContact CB-CG2 4.46Å; L251-I257 CarbonylContact O-C 3.56Å; L251-I257 VanDerWaalsContact O-CA 3.29Å; L251-I257 WeakPolarHBondContact O-CA 3.41Å; V252-I257 HydrophobicContact CG1-CG1 4.3Å; V252-I257 HydrophobicContact CG2-CG1 4.35Å; I257-I269 HydrophobicContact CD1-CD1 3.5Å; I257-I269 HydrophobicContact CD1-CG1 4.3Å; I257-L279 HydrophobicContact CG2-CD1 3.8Å; I257-M337 WeakPolarHBondContact O-CA 3.46Å; I257-V338 PolarHBondContact N-O 3.2Å; I257-V338 PolarHBondContact O-N 3.27Å; I257-R340 HydrophobicContact CD1-CG 4.05Å; I257-R340 HydrophobicContact CG1-CG 3.87Å; I257-L347 HydrophobicContact CD1-CD2 4.49Å; I257-L347 HydrophobicContact CG2-CD2 4.14Å; I257-L407 HydrophobicContact CD1-CD1 3.75Å; I257-L407 HydrophobicContact CD1-CD2 3.88Å; I257-L407 HydrophobicContact CD1-CG 4.5Å
258Y98Very high97.2Very high13 Ų139.7 Ų9.75%0.0516%0.059CC..EExtended strand (participates in β ladder)trans-109.4126.2179.3-50.1-86.7000108.8D214 I217 C250 L251 A256 Y335 M337D214-Y258 PolarHBondContact OD1-OH 2.84Å; I217-Y258 HydrophobicContact CB-CD1 4.46Å; I217-Y258 HydrophobicContact CB-CE1 4.42Å; I217-Y258 HydrophobicContact CG1-CD1 4.26Å; I217-Y258 HydrophobicContact CG1-CD2 3.9Å; I217-Y258 HydrophobicContact CG1-CE2 4.19Å; I217-Y258 HydrophobicContact CG1-CG 3.91Å; I217-Y258 HydrophobicContact CG2-CD1 3.39Å; I217-Y258 HydrophobicContact CG2-CD2 4.36Å; I217-Y258 HydrophobicContact CG2-CE1 3.25Å; I217-Y258 HydrophobicContact CG2-CE2 4.26Å; I217-Y258 HydrophobicContact CG2-CG 3.94Å; C250-Y258 CarbonylContact C-O 3.58Å; C250-Y258 VanDerWaalsContact CA-O 3.28Å; C250-Y258 WeakPolarHBondContact CA-O 3.47Å; L251-Y258 HydrophobicContact CB-CD2 4.19Å; L251-Y258 PolarHBondContact N-O 2.89Å; L251-Y258 PolarHBondContact O-N 3.21Å; A256-Y258 HydrophobicContact CB-CE1 4.11Å; A256-Y258 HydrophobicContact CB-CE2 3.81Å; Y258-Y335 WeakPolarHBondContact CD1-OH 3.39Å; Y258-M337 HydrophobicContact CD1-CB 3.94Å; Y258-M337 HydrophobicContact CD1-CG 3.45Å; Y258-M337 VanDerWaalsContact CD1-CG 3.45Å; Y258-M337 HydrophobicContact CE1-CB 4.33Å; Y258-M337 HydrophobicContact CE1-CG 3.41Å; Y258-M337 VanDerWaalsContact CE1-CG 3.41Å; Y258-M337 HydrophobicContact CG-CG 4.48Å
259T98.7Very high97.1Very high1 Ų19.7 Ų9.71%0.0066%0.059CC..EExtended strand (participates in β ladder)trans-119.2130.3-177-54.10000109.6L248 T249 W261 L279 N280 Y335 N336L248-T259 HydrophobicContact CD1-CG2 3.67Å; T249-T259 VanDerWaalsContact O-CA 3.26Å; T249-T259 WeakPolarHBondContact O-CA 3.4Å; T259-W261 HydrophobicContact CG2-CE3 4.08Å; T259-L279 HydrophobicContact CG2-CB 4.27Å; T259-N280 HydrophobicContact CG2-CB 4.28Å; T259-Y335 CarbonylContact O-C 3.56Å; T259-Y335 WeakPolarHBondContact O-CA 3.43Å; T259-N336 PolarHBondContact N-O 2.91Å; T259-N336 PolarHBondContact O-N 3.48Å
260A98.7Very high97.1Very high0 Ų09.7 Ų9.70%06%0.059CC..EExtended strand (participates in β ladder)trans-134.6135.8170.700000109.8L221 F225 T249 G334L221-A260 HydrophobicContact CB-CB 4.29Å; L221-A260 HydrophobicContact CD1-CB 4.34Å; L221-A260 HydrophobicContact CD2-CB 4.37Å; F225-A260 HydrophobicContact CD2-CB 4.44Å; F225-A260 HydrophobicContact CE2-CB 3.8Å; F225-A260 HydrophobicContact CZ-CB 4.31Å; T249-A260 PolarHBondContact N-O 3.36Å; T249-A260 PolarHBondContact O-N 3.32Å; T249-A260 PolarHBondContact OG1-O 3.05Å; A260-G334 VanDerWaalsContact CA-O 3.25Å; A260-G334 WeakPolarHBondContact CA-O 3.29Å
261W98.8Very high96.9Very high22 Ų2210.9 Ų10.98%0.0837%0.065CC..EExtended strand (participates in β ladder)trans-151.6154.5-173.275.8105.5000115.3A247 L248 T259 N280 Q281 H283 P333 G334 N336A247-W261 CarbonylContact O-C 3.55Å; A247-W261 WeakPolarHBondContact O-CA 3.38Å; A247-W261 WeakPolarHBondContact O-CB 3.28Å; L248-W261 HydrophobicContact CB-CB 4.28Å; L248-W261 HydrophobicContact CD1-CB 3.75Å; L248-W261 HydrophobicContact CD1-CG 4.49Å; T259-W261 HydrophobicContact CG2-CE3 4.08Å; W261-N280 HydrophobicContact CD2-CB 3.38Å; W261-N280 VanDerWaalsContact CE2-CB 3.45Å; W261-N280 HydrophobicContact CE3-CB 3.48Å; W261-N280 VanDerWaalsContact CE3-CB 3.48Å; W261-N280 HydrophobicContact CG-CB 4Å; W261-N280 HydrophobicContact CH2-CB 3.73Å; W261-N280 HydrophobicContact CZ2-CB 3.65Å; W261-N280 HydrophobicContact CZ3-CB 3.64Å; W261-Q281 PolarHBondContact NE1-O 3.44Å; W261-H283 AromaticContact CD1-CE1 3.52Å; W261-H283 AromaticContact CD1-ND1 3.44Å; W261-H283 AromaticContact CE2-CE1 3.52Å; W261-H283 AromaticContact CE2-NE2 3.89Å; W261-H283 AromaticContact NE1-CE1 3.09Å; W261-H283 PolarHBondContact NE1-CE1 3.11Å; W261-H283 AromaticContact NE1-CG 3.91Å; W261-H283 AromaticContact NE1-ND1 3.28Å; W261-H283 PolarHBondContact NE1-ND1 2.84Å; W261-H283 AromaticContact NE1-NE2 3.62Å; W261-H283 PolarHBondContact O-CE1 2.94Å; W261-H283 VanDerWaalsContact O-CE1 3.26Å; W261-P333 CarbonylContact O-C 3.59Å; W261-P333 WeakPolarHBondContact O-CA 3.27Å; W261-P333 WeakPolarHBondContact O-CB 3.22Å; W261-G334 VanDerWaalsContact CZ3-C 3.48Å; W261-G334 PolarHBondContact N-O 3.13Å; W261-G334 PolarHBondContact O-N 3.3Å; W261-N336 HydrophobicContact CZ3-CB 4.26Å
262V98.8Very high96.7Very high1 Ų111.1 Ų11.11%0.0067%0.067CC..EExtended strand (participates in β ladder)trans-129.6142.7159.7-64.70000108.7F225 T246 A247 R318 L320 P333F225-V262 HydrophobicContact CD1-CG1 4.44Å; F225-V262 HydrophobicContact CE1-CG1 4.41Å; F225-V262 HydrophobicContact CE1-CG2 4.23Å; T246-V262 WeakPolarHBondContact CA-O 3.32Å; T246-V262 WeakPolarHBondContact CB-O 3.47Å; A247-V262 HydrophobicContact CB-CG2 4.04Å; A247-V262 PolarHBondContact N-O 2.97Å; A247-V262 PolarHBondContact O-N 3.36Å; V262-R318 HydrophobicContact CB-CB 3.93Å; V262-R318 HydrophobicContact CG1-CB 4.16Å; V262-L320 HydrophobicContact CG2-CD2 4.34Å; V262-L320 HydrophobicContact CG2-CG 3.94Å; V262-P333 HydrophobicContact CG1-CB 4.07Å
263G98.5Very high96.5Very high0 Ų015.6 Ų15.60%09%0.091CC..SBendtrans90-157.3-174.400000113.6H283 R318G263-H283 PolarHBondContact O-N 3.03Å; G263-R318 VanDerWaalsContact CA-O 3.31Å; G263-R318 WeakPolarHBondContact CA-O 3.32Å; G263-R318 PolarHBondContact N-O 3.44Å; G263-R318 VanDerWaalsContact N-O 3.07Å
264D97.8Very high96.4Very high32 Ų3217.3 Ų17.317%0.17111%0.109CC..SBendtrans-118-3.8-164.855.72.4000115.2T246 L266 P282 V316T246-D264 WeakPolarHBondContact CG2-OD1 3.5Å; D264-L266 PolarHBondContact O-N 2.8Å; D264-P282 HydrophobicContact CB-CB 3.9Å; D264-V316 HydrophobicContact CB-CG1 3.99Å; D264-V316 VanDerWaalsContact CG-CG1 3.43Å; D264-V316 WeakPolarHBondContact OD2-CG1 3.27Å
265S98.6Very high96.7Very high1 Ų117.7 Ų17.71%0.00711%0.111CC..  trans-51140.4165.9-66.30000110.5T246 N280 G350T246-S265 PolarHBondContact OG1-OG 2.77Å; S265-N280 PolarHBondContact O-ND2 3.41Å; S265-G350 WeakPolarHBondContact CA-O 3.3Å; S265-G350 WeakPolarHBondContact CB-O 3.44Å
266L98.7Very high96.9Very high13 Ų1316.6 Ų16.67%0.06810%0.102CC..EExtended strand (participates in β ladder)trans-122.4136.8-169175.270.3000112.4D264 I268 F278 N280 G350 W355 P360D264-L266 PolarHBondContact O-N 2.8Å; L266-I268 HydrophobicContact CD1-CG2 4.39Å; L266-I268 HydrophobicContact CD2-CG2 3.97Å; L266-I268 HydrophobicContact CG-CG2 4.01Å; L266-F278 HydrophobicContact CD1-CD1 3.65Å; L266-F278 HydrophobicContact CD1-CE1 4.26Å; L266-F278 HydrophobicContact CD2-CD1 3.96Å; L266-F278 HydrophobicContact CD2-CE1 3.71Å; L266-F278 HydrophobicContact CG-CD1 4.37Å; L266-N280 WeakPolarHBondContact CD1-O 3.42Å; L266-G350 PolarHBondContact N-O 3.2Å; L266-G350 PolarHBondContact O-N 2.82Å; L266-W355 HydrophobicContact CB-CD2 4.44Å; L266-W355 HydrophobicContact CB-CG 4.24Å; L266-W355 HydrophobicContact CD2-CD2 4.1Å; L266-W355 HydrophobicContact CD2-CE3 4.45Å; L266-W355 HydrophobicContact CD2-CG 4.38Å; L266-W355 PolarHBondContact O-NE1 3.49Å; L266-P360 HydrophobicContact CD2-CG 4.03Å
267A98.9Very high97.1Very high0 Ų019.6 Ų19.60%012%0.116CC..EExtended strand (participates in β ladder)trans-111.2131.6169.900000111.4L248 L279 N280 L347 L348 L349L248-A267 HydrophobicContact CD1-CB 4.1Å; L248-A267 HydrophobicContact CD2-CB 3.89Å; L248-A267 HydrophobicContact CG-CB 4.43Å; A267-L279 HydrophobicContact CB-CB 3.97Å; A267-L279 HydrophobicContact CB-CD1 4.25Å; A267-L279 HydrophobicContact CB-CG 4.41Å; A267-L279 PolarHBondContact O-N 2.72Å; A267-N280 PolarHBondContact N-OD1 3.03Å; A267-L347 HydrophobicContact CB-CD1 4.45Å; A267-L348 CarbonylContact C-O 3.55Å; A267-L348 WeakPolarHBondContact CA-O 3.4Å; A267-L349 HydrophobicContact CB-CD1 4.39Å; A267-L349 HydrophobicContact CB-CG 4.16Å
268I98.7Very high97.1Very high0 Ų024.8 Ų24.80%014%0.139CC..EExtended strand (participates in β ladder)trans-130.7149.3174.467.7173.9000111.7L266 L270 V276 Q277 F278 L347 L348 W355 P360L266-I268 HydrophobicContact CD1-CG2 4.39Å; L266-I268 HydrophobicContact CD2-CG2 3.97Å; L266-I268 HydrophobicContact CG-CG2 4.01Å; I268-L270 HydrophobicContact CD1-CD2 3.69Å; I268-L270 HydrophobicContact CD1-CG 4.28Å; I268-L270 HydrophobicContact CG1-CD2 4.29Å; I268-V276 HydrophobicContact CB-CG1 4.32Å; I268-V276 HydrophobicContact CD1-CG1 4.09Å; I268-V276 HydrophobicContact CG2-CG1 4.36Å; I268-Q277 CarbonylContact C-O 3.5Å; I268-Q277 VanDerWaalsContact CA-O 3.26Å; I268-Q277 WeakPolarHBondContact CA-O 3.42Å; I268-F278 HydrophobicContact CG2-CD1 4.19Å; I268-F278 HydrophobicContact CG2-CE1 4.41Å; I268-F278 HydrophobicContact CG2-CG 4.39Å; I268-L347 WeakPolarHBondContact O-CA 3.42Å; I268-L348 HydrophobicContact CG1-CB 4.04Å; I268-L348 HydrophobicContact CG1-CD1 4.41Å; I268-L348 PolarHBondContact N-O 3.02Å; I268-L348 PolarHBondContact O-N 3.16Å; I268-W355 HydrophobicContact CD1-CH2 3.33Å; I268-W355 HydrophobicContact CD1-CZ2 4.29Å; I268-W355 HydrophobicContact CD1-CZ3 3.83Å; I268-W355 HydrophobicContact CG1-CH2 3.65Å; I268-W355 HydrophobicContact CG1-CZ2 4.16Å; I268-W355 HydrophobicContact CG2-CH2 4.45Å; I268-P360 HydrophobicContact CD1-CB 3.95Å; I268-P360 HydrophobicContact CG2-CB 4.44Å
269I98.6Very high97.1Very high2 Ų224.3 Ų24.31%0.0114%0.137CC..EExtended strand (participates in β ladder)trans-104.9133.9165.1-58.5174.8000109.2I257 Q277 L279 V338 H344 L346 L347 L407I257-I269 HydrophobicContact CD1-CD1 3.5Å; I257-I269 HydrophobicContact CD1-CG1 4.3Å; I269-Q277 HydrophobicContact CB-CB 4.3Å; I269-Q277 PolarHBondContact N-O 3.13Å; I269-Q277 PolarHBondContact O-N 2.89Å; I269-L279 HydrophobicContact CD1-CD1 4.1Å; I269-L279 HydrophobicContact CD1-CD2 3.72Å; I269-L279 HydrophobicContact CD1-CG 4.31Å; I269-L279 HydrophobicContact CG1-CD1 3.93Å; I269-L279 HydrophobicContact CG1-CD2 3.95Å; I269-L279 HydrophobicContact CG1-CG 4.08Å; I269-V338 HydrophobicContact CD1-CG1 4.26Å; I269-H344 HydrophobicContact CG2-CB 3.81Å; I269-H344 WeakPolarHBondContact CG2-CD2 3.39Å; I269-L346 CarbonylContact C-O 3.6Å; I269-L346 VanDerWaalsContact CA-O 3.28Å; I269-L346 WeakPolarHBondContact CA-O 3.22Å; I269-L347 HydrophobicContact CG1-CD1 4.1Å; I269-L407 HydrophobicContact CG2-CD1 4.05Å
270L97.7Very high97.1Very high0 Ų024.7 Ų24.70%014%0.139CC..EExtended strand (participates in β ladder)trans-108.3138.7173-55.5-176.4000110.5I268 V276 C345 L346 L348 H364 V367I268-L270 HydrophobicContact CD1-CD2 3.69Å; I268-L270 HydrophobicContact CD1-CG 4.28Å; I268-L270 HydrophobicContact CG1-CD2 4.29Å; L270-V276 HydrophobicContact CD2-CB 4.27Å; L270-V276 HydrophobicContact CD2-CG1 4.15Å; L270-V276 HydrophobicContact CD2-CG2 3.8Å; L270-C345 WeakPolarHBondContact O-CB 3.48Å; L270-C345 PolarHBondContact O-N 3.08Å; L270-L346 HydrophobicContact CB-CB 4.39Å; L270-L346 PolarHBondContact N-O 3.03Å; L270-L346 PolarHBondContact O-N 3.43Å; L270-L348 HydrophobicContact CD1-CD1 3.7Å; L270-L348 HydrophobicContact CG-CD1 3.84Å; L270-H364 HydrophobicContact CD1-CB 4.49Å; L270-H364 HydrophobicContact CD2-CB 4.27Å; L270-V367 HydrophobicContact CD1-CG2 3.99Å
271D95.2Very high97.1Very high24 Ų2430 Ų3013%0.12816%0.164CC..  trans-103.5172.816275.715000111.1N273 G274 S275 H343 H364 F417D271-N273 VanDerWaalsContact C-N 3.27Å; D271-N273 PolarHBondContact O-N 2.82Å; D271-N273 WeakPolarHBondContact OD1-CA 3.17Å; D271-N273 PolarHBondContact OD1-N 3.34Å; D271-G274 PolarHBondContact OD1-N 2.87Å; D271-S275 PolarHBondContact N-O 3.45Å; D271-S275 WeakPolarHBondContact OD1-CB 3.17Å; D271-S275 PolarHBondContact OD1-N 2.82Å; D271-S275 WeakPolarHBondContact OD2-CB 3.45Å; D271-H343 WeakPolarHBondContact CA-O 3.47Å; D271-H343 HydrophobicContact CB-CB 4.29Å; D271-H343 WeakPolarHBondContact CB-O 3.41Å; D271-H364 PolarHBondContact O-CD2 3.45Å; D271-H364 PolarHBondContact O-NE2 2.94Å; D271-F417 WeakPolarHBondContact O-CZ 3.25Å
272A92.4Very high97Very high5 Ų531 Ų314%0.04117%0.173CC..THydrogen-bonded Turntrans-75.2-14.117700000114.1L416 F417A272-L416 HydrophobicContact CB-CB 3.77Å; A272-F417 HydrophobicContact CB-CD1 4.37Å; A272-F417 HydrophobicContact CB-CE1 4.45Å; A272-F417 HydrophobicContact CB-CG 4.43Å
273N91Very high97Very high96 Ų9631.5 Ų31.551%0.51318%0.175SC..THydrogen-bonded Turntrans-91.6-0.1-172.3-63-37.3000114D271 Q420D271-N273 VanDerWaalsContact C-N 3.27Å; D271-N273 PolarHBondContact O-N 2.82Å; D271-N273 WeakPolarHBondContact OD1-CA 3.17Å; D271-N273 PolarHBondContact OD1-N 3.34Å; N273-Q420 PolarHBondContact OD1-NE2 3.47Å
274G91Very high96.9Very high37 Ų3733 Ų3338%0.38119%0.185SC..SBendtrans105-1.7-178.100000114.7D271 H364D271-G274 PolarHBondContact OD1-N 2.87Å; G274-H364 WeakPolarHBondContact CA-CE1 3.5Å; G274-H364 VanDerWaalsContact CA-NE2 3.3Å; G274-H364 WeakPolarHBondContact CA-NE2 3.39Å; G274-H364 PolarHBondContact N-CE1 3.19Å; G274-H364 PolarHBondContact N-NE2 3.41Å
275S94.7Very high96.8Very high62 Ų6231.9 Ų31.943%0.43418%0.179SC..  trans-75135.7-179.8-165.40000111.1D271D271-S275 PolarHBondContact N-O 3.45Å; D271-S275 WeakPolarHBondContact OD1-CB 3.17Å; D271-S275 PolarHBondContact OD1-N 2.82Å; D271-S275 WeakPolarHBondContact OD2-CB 3.45Å
276V97.6Very high96.7Very high36 Ų3637.8 Ų37.822%0.21822%0.215CC..EExtended strand (participates in β ladder)trans-122.5106.3174.4-179.20000107.7I268 L270 F278 P360 H364I268-V276 HydrophobicContact CB-CG1 4.32Å; I268-V276 HydrophobicContact CD1-CG1 4.09Å; I268-V276 HydrophobicContact CG2-CG1 4.36Å; L270-V276 HydrophobicContact CD2-CB 4.27Å; L270-V276 HydrophobicContact CD2-CG1 4.15Å; L270-V276 HydrophobicContact CD2-CG2 3.8Å; V276-F278 HydrophobicContact CG1-CD2 4.36Å; V276-F278 HydrophobicContact CG1-CE2 3.93Å; V276-F278 HydrophobicContact CG1-CZ 4.49Å; V276-P360 HydrophobicContact CG1-CB 3.62Å; V276-H364 HydrophobicContact CG2-CB 4.16Å
277Q98.2Very high96.5Very high67 Ų6738.9 Ų38.931%0.31322%0.221SC..EExtended strand (participates in β ladder)trans-100.2115.6178.4-178.4179.60.600109.9I268 I269 L279 H344I268-Q277 CarbonylContact C-O 3.5Å; I268-Q277 VanDerWaalsContact CA-O 3.26Å; I268-Q277 WeakPolarHBondContact CA-O 3.42Å; I269-Q277 HydrophobicContact CB-CB 4.3Å; I269-Q277 PolarHBondContact N-O 3.13Å; I269-Q277 PolarHBondContact O-N 2.89Å; Q277-L279 HydrophobicContact CG-CD2 4.49Å; Q277-H344 PolarHBondContact OE1-NE2 3.45Å
278F98.5Very high96.4Very high109 Ų10944.5 Ų44.548%0.47825%0.247SC..EExtended strand (participates in β ladder)trans-74.9132.2173.6-67.8-109000109.8L266 I268 V276 P360L266-F278 HydrophobicContact CD1-CD1 3.65Å; L266-F278 HydrophobicContact CD1-CE1 4.26Å; L266-F278 HydrophobicContact CD2-CD1 3.96Å; L266-F278 HydrophobicContact CD2-CE1 3.71Å; L266-F278 HydrophobicContact CG-CD1 4.37Å; I268-F278 HydrophobicContact CG2-CD1 4.19Å; I268-F278 HydrophobicContact CG2-CE1 4.41Å; I268-F278 HydrophobicContact CG2-CG 4.39Å; V276-F278 HydrophobicContact CG1-CD2 4.36Å; V276-F278 HydrophobicContact CG1-CE2 3.93Å; V276-F278 HydrophobicContact CG1-CZ 4.49Å; F278-P360 HydrophobicContact CE1-CB 4.44Å; F278-P360 HydrophobicContact CE1-CG 3.86Å; F278-P360 HydrophobicContact CE2-CB 4.5Å; F278-P360 HydrophobicContact CZ-CB 3.87Å; F278-P360 HydrophobicContact CZ-CG 3.67Å
279L98.6Very high96.4Very high2 Ų252 Ų521%0.0128%0.282CS..SBendtrans-94.8-19.3177.2-63-167.4000113.2I257 T259 A267 I269 Q277 N336 V338 L347I257-L279 HydrophobicContact CG2-CD1 3.8Å; T259-L279 HydrophobicContact CG2-CB 4.27Å; A267-L279 HydrophobicContact CB-CB 3.97Å; A267-L279 HydrophobicContact CB-CD1 4.25Å; A267-L279 HydrophobicContact CB-CG 4.41Å; A267-L279 PolarHBondContact O-N 2.72Å; I269-L279 HydrophobicContact CD1-CD1 4.1Å; I269-L279 HydrophobicContact CD1-CD2 3.72Å; I269-L279 HydrophobicContact CD1-CG 4.31Å; I269-L279 HydrophobicContact CG1-CD1 3.93Å; I269-L279 HydrophobicContact CG1-CD2 3.95Å; I269-L279 HydrophobicContact CG1-CG 4.08Å; Q277-L279 HydrophobicContact CG-CD2 4.49Å; L279-N336 VanDerWaalsContact O-CB 3.28Å; L279-N336 WeakPolarHBondContact O-CB 3.45Å; L279-N336 PolarHBondContact O-ND2 3.45Å; L279-V338 HydrophobicContact CD2-CB 4.26Å; L279-V338 HydrophobicContact CD2-CG2 3.64Å; L279-L347 HydrophobicContact CD1-CD1 3.51Å
280N98.5Very high96.3Very high9 Ų952.2 Ų52.25%0.04828%0.283CS..  trans-146160.617866.9-65.2000111.5T259 W261 S265 L266 A267T259-N280 HydrophobicContact CG2-CB 4.28Å; W261-N280 HydrophobicContact CD2-CB 3.38Å; W261-N280 VanDerWaalsContact CE2-CB 3.45Å; W261-N280 HydrophobicContact CE3-CB 3.48Å; W261-N280 VanDerWaalsContact CE3-CB 3.48Å; W261-N280 HydrophobicContact CG-CB 4Å; W261-N280 HydrophobicContact CH2-CB 3.73Å; W261-N280 HydrophobicContact CZ2-CB 3.65Å; W261-N280 HydrophobicContact CZ3-CB 3.64Å; S265-N280 PolarHBondContact O-ND2 3.41Å; L266-N280 WeakPolarHBondContact CD1-O 3.42Å; A267-N280 PolarHBondContact N-OD1 3.03Å
281Q97.5Very high96.4Very high113 Ų11355.5 Ų55.553%0.52830%0.295SS..  trans-108.5131.4171.9178.1168.9-40.300108.6W261 H283 D287W261-Q281 PolarHBondContact NE1-O 3.44Å; Q281-H283 PolarHBondContact O-N 3.27Å; Q281-D287 PolarHBondContact NE2-OD2 3.45Å
282P97.6Very high96.5Very high42 Ų4258 Ų5827%0.27331%0.309SS..  trans-54.7130.6177-29.437.4000112.8D264 C284D264-P282 HydrophobicContact CB-CB 3.9Å; P282-C284 PolarHBondContact O-N 3.34Å; P282-C284 VanDerWaalsContact O-N 3.13Å
283H98.4Very high96.8Very high12 Ų1259.6 Ų59.66%0.05631%0.314CS..  trans-80.689.3171.1-65.7130000109.8W261 G263 Q281 V316 T317 R318W261-H283 AromaticContact CD1-CE1 3.52Å; W261-H283 AromaticContact CD1-ND1 3.44Å; W261-H283 AromaticContact CE2-CE1 3.52Å; W261-H283 AromaticContact CE2-NE2 3.89Å; W261-H283 AromaticContact NE1-CE1 3.09Å; W261-H283 PolarHBondContact NE1-CE1 3.11Å; W261-H283 AromaticContact NE1-CG 3.91Å; W261-H283 AromaticContact NE1-ND1 3.28Å; W261-H283 PolarHBondContact NE1-ND1 2.84Å; W261-H283 AromaticContact NE1-NE2 3.62Å; W261-H283 PolarHBondContact O-CE1 2.94Å; W261-H283 VanDerWaalsContact O-CE1 3.26Å; G263-H283 PolarHBondContact O-N 3.03Å; Q281-H283 PolarHBondContact O-N 3.27Å; H283-V316 WeakPolarHBondContact O-CA 3.28Å; H283-T317 PolarHBondContact O-N 3.22Å; H283-T317 PolarHBondContact O-OG1 3.38Å; H283-R318 HydrophobicContact CB-CB 3.99Å; H283-R318 HydrophobicContact CB-CG 3.91Å
284C96Very high97.1Very high31 Ų3155 Ų5521%0.20929%0.289CS..BIsolated β-bridgetrans-142.3168.2-176.8650000110.9P282 V286 D287 T317P282-C284 PolarHBondContact O-N 3.34Å; P282-C284 VanDerWaalsContact O-N 3.13Å; C284-V286 PolarHBondContact O-N 3.39Å; C284-D287 PolarHBondContact O-N 3.07Å; C284-T317 PolarHBondContact N-OG1 2.97Å
285L97Very high97.5Very high8 Ų857.2 Ų57.24%0.04229%0.29CS..THydrogen-bonded Turntrans-69.6-9.6-175.2-70.9171000115.2D287 I301 E308 V310 T317L285-D287 PolarHBondContact O-N 3.01Å; L285-I301 HydrophobicContact CD1-CG1 4.36Å; L285-I301 HydrophobicContact CD1-CG2 3.95Å; L285-I301 HydrophobicContact CD2-CD1 3.66Å; L285-I301 HydrophobicContact CD2-CG1 3.79Å; L285-E308 HydrophobicContact CD1-CB 3.85Å; L285-V310 HydrophobicContact CD1-CG2 4.09Å; L285-V310 HydrophobicContact CD2-CG2 4.07Å; L285-V310 HydrophobicContact CG-CG2 4.21Å; L285-T317 HydrophobicContact CD2-CG2 3.66Å; L285-T317 HydrophobicContact CG-CG2 3.82Å
286V94.8Very high97.6Very high126 Ų12662 Ų6276%0.76431%0.305SS*.THydrogen-bonded Turntrans-69.1-25.3172.9-179.80000111.4C284C284-V286 PolarHBondContact O-N 3.39Å
287D96.2Very high97.7Very high35 Ų3564 Ų6419%0.18731%0.312CS..SBendtrans-82114.6172.9-175.2-13.9000109.9Q281 C284 L285 E289 E290 R291Q281-D287 PolarHBondContact NE2-OD2 3.45Å; C284-D287 PolarHBondContact O-N 3.07Å; L285-D287 PolarHBondContact O-N 3.01Å; D287-E289 VanDerWaalsContact C-N 3.25Å; D287-E289 PolarHBondContact O-N 3.23Å; D287-E289 PolarHBondContact OD1-N 3.31Å; D287-E290 HydrophobicContact CB-CB 4.09Å; D287-E290 HydrophobicContact CB-CG 4.21Å; D287-E290 PolarHBondContact O-N 3.32Å; D287-E290 VanDerWaalsContact O-N 3.13Å; D287-R291 WeakPolarHBondContact O-CB 3.37Å; D287-R291 PolarHBondContact O-N 2.97Å
288E96.9Very high97.6Very high118 Ų11863.6 Ų63.655%0.55133%0.326SS*.Hα-helixtrans-61.5-31.1-178.3-65.2-65.2162.800112.7R291 D292E288-R291 WeakPolarHBondContact O-CB 3.48Å; E288-R291 PolarHBondContact O-N 3.5Å; E288-R291 WeakPolarHBondContact OE2-CD 3.38Å; E288-D292 WeakPolarHBondContact O-CB 3.4Å; E288-D292 PolarHBondContact O-N 3.47Å
289E97.2Very high97.6Very high158 Ų15858.7 Ų58.774%0.73831%0.307SS*.Hα-helixtrans-68.2-40.2176.2-65.8-172.3178.800111D287 R293D287-E289 VanDerWaalsContact C-N 3.25Å; D287-E289 PolarHBondContact O-N 3.23Å; D287-E289 PolarHBondContact OD1-N 3.31Å; E289-R293 WeakPolarHBondContact O-CB 3.08Å; E289-R293 PolarHBondContact O-N 2.97Å
290E98.1Very high97.6Very high6 Ų662.3 Ų62.33%0.02833%0.329CS..Hα-helixtrans-68.6-38.5174.2-76.2-65.8102.500111.7D287 R293 V294 T317 R318D287-E290 HydrophobicContact CB-CB 4.09Å; D287-E290 HydrophobicContact CB-CG 4.21Å; D287-E290 PolarHBondContact O-N 3.32Å; D287-E290 VanDerWaalsContact O-N 3.13Å; E290-R293 PolarHBondContact O-N 3.19Å; E290-R293 IonicContact OE1-NE 3.07Å; E290-R293 PolarHBondContact OE1-NE 2.94Å; E290-R293 VanDerWaalsContact OE1-NE 3.17Å; E290-R293 IonicContact OE1-NH2 3.4Å; E290-R293 IonicContact OE2-CZ 3.33Å; E290-R293 IonicContact OE2-NE 3.55Å; E290-R293 IonicContact OE2-NH2 3.93Å; E290-R293 PolarHBondContact OE2-NH2 3.39Å; E290-V294 VanDerWaalsContact O-CG2 3.29Å; E290-V294 WeakPolarHBondContact O-CG2 3.46Å; E290-V294 PolarHBondContact O-N 3.16Å; E290-T317 HydrophobicContact CB-CG2 4.11Å; E290-T317 VanDerWaalsContact OE2-CB 3.28Å; E290-T317 WeakPolarHBondContact OE2-CB 3.25Å; E290-T317 PolarHBondContact OE2-OG1 2.99Å; E290-R318 IonicContact OE1-CZ 2.73Å; E290-R318 VanDerWaalsContact OE1-CZ 3.3Å; E290-R318 IonicContact OE1-NE 3.82Å; E290-R318 PolarHBondContact OE1-NE 2.96Å; E290-R318 IonicContact OE1-NH2 3.42Å; E290-R318 PolarHBondContact OE1-NH2 2.9Å; E290-R318 VanDerWaalsContact OE2-CG 3.32Å; E290-R318 WeakPolarHBondContact OE2-CG 3.36Å; E290-R318 IonicContact OE2-NE 3.47Å; E290-R318 PolarHBondContact OE2-NE 2.79Å
291R97.9Very high97.5Very high69 Ų6963.1 Ų63.126%0.2633%0.333SS..Hα-helixtrans-58-50.9175.9-164.8-174.8-170.6-91.2-0.1111.4D287 E288 V294 Q295 I301D287-R291 WeakPolarHBondContact O-CB 3.37Å; D287-R291 PolarHBondContact O-N 2.97Å; E288-R291 WeakPolarHBondContact O-CB 3.48Å; E288-R291 PolarHBondContact O-N 3.5Å; E288-R291 WeakPolarHBondContact OE2-CD 3.38Å; R291-V294 PolarHBondContact O-N 2.58Å; R291-Q295 WeakPolarHBondContact O-CG 3.38Å; R291-Q295 PolarHBondContact O-N 2.76Å; R291-I301 HydrophobicContact CB-CD1 4.47Å; R291-I301 HydrophobicContact CG-CD1 3.34Å
292D98.2Very high97.5Very high78 Ų7861.6 Ų61.642%0.41733%0.328SS..Hα-helixtrans-64.4-42.9179.1-80.2-10.7000111.4E288 V294 Q295 Q296E288-D292 WeakPolarHBondContact O-CB 3.4Å; E288-D292 PolarHBondContact O-N 3.47Å; D292-V294 PolarHBondContact O-N 2.96Å; D292-Q295 PolarHBondContact O-N 3.31Å; D292-Q296 WeakPolarHBondContact O-CB 3.48Å; D292-Q296 VanDerWaalsContact O-CG 3.24Å; D292-Q296 WeakPolarHBondContact O-CG 3.46Å; D292-Q296 PolarHBondContact O-N 3.13Å
293R98.2Very high97.5Very high37 Ų3764.8 Ų64.814%0.1434%0.343CS..Hα-helixtrans-58.3-50176.4-177.8-168.960.473.33111.5E289 E290 Q295 Q296 E297 T317 P328E289-R293 WeakPolarHBondContact O-CB 3.08Å; E289-R293 PolarHBondContact O-N 2.97Å; E290-R293 PolarHBondContact O-N 3.19Å; E290-R293 IonicContact OE1-NE 3.07Å; E290-R293 PolarHBondContact OE1-NE 2.94Å; E290-R293 VanDerWaalsContact OE1-NE 3.17Å; E290-R293 IonicContact OE1-NH2 3.4Å; E290-R293 IonicContact OE2-CZ 3.33Å; E290-R293 IonicContact OE2-NE 3.55Å; E290-R293 IonicContact OE2-NH2 3.93Å; E290-R293 PolarHBondContact OE2-NH2 3.39Å; R293-Q295 VanDerWaalsContact C-N 3.27Å; R293-Q295 PolarHBondContact O-N 2.83Å; R293-Q296 PolarHBondContact O-N 3.38Å; R293-E297 IonicContact CZ-OE2 2.74Å; R293-E297 IonicContact NH1-OE1 2.64Å; R293-E297 IonicContact NH1-OE2 2.71Å; R293-E297 PolarHBondContact NH1-OE2 3.07Å; R293-E297 PolarHBondContact O-N 2.9Å; R293-T317 PolarHBondContact NH2-O 2.99Å; R293-P328 PolarHBondContact NH1-O 2.85Å
294V98.6Very high97.4Very high0 Ų066.8 Ų66.80%036%0.356CS..Hα-helixtrans-55.4-44.5179.91650000110.9E290 R291 D292 E297 G299 I301 V310 T317 P328E290-V294 VanDerWaalsContact O-CG2 3.29Å; E290-V294 WeakPolarHBondContact O-CG2 3.46Å; E290-V294 PolarHBondContact O-N 3.16Å; R291-V294 PolarHBondContact O-N 2.58Å; D292-V294 PolarHBondContact O-N 2.96Å; V294-E297 PolarHBondContact O-N 3.06Å; V294-G299 VanDerWaalsContact O-CA 3.29Å; V294-G299 WeakPolarHBondContact O-CA 3.46Å; V294-G299 PolarHBondContact O-N 2.93Å; V294-I301 HydrophobicContact CG1-CG1 4.44Å; V294-V310 HydrophobicContact CG1-CG1 3.79Å; V294-V310 HydrophobicContact CG1-CG2 4.1Å; V294-V310 HydrophobicContact CG2-CG2 4.27Å; V294-T317 HydrophobicContact CG2-CG2 3.86Å; V294-P328 HydrophobicContact CG1-CB 4.33Å
295Q98.3Very high97.3Very high84 Ų8474.8 Ų74.839%0.39339%0.39SS..Hα-helixtrans-68.6-41179.1-69-177.8-23.500112.6R291 D292 R293 E297 G298 I301R291-Q295 WeakPolarHBondContact O-CG 3.38Å; R291-Q295 PolarHBondContact O-N 2.76Å; D292-Q295 PolarHBondContact O-N 3.31Å; R293-Q295 VanDerWaalsContact C-N 3.27Å; R293-Q295 PolarHBondContact O-N 2.83Å; Q295-E297 VanDerWaalsContact C-N 3.28Å; Q295-E297 PolarHBondContact O-N 3.17Å; Q295-G298 PolarHBondContact O-N 2.78Å; Q295-G298 VanDerWaalsContact O-N 3.07Å; Q295-I301 HydrophobicContact CG-CD1 3.97Å; Q295-I301 HydrophobicContact CG-CG1 4.48Å
296Q98.2Very high97.1Very high163 Ų16377.5 Ų77.576%0.76242%0.42SS*.Hα-helixtrans-63.1-33.6176.8-72.8173.435.400112.6D292 R293 G298D292-Q296 WeakPolarHBondContact O-CB 3.48Å; D292-Q296 VanDerWaalsContact O-CG 3.24Å; D292-Q296 WeakPolarHBondContact O-CG 3.46Å; D292-Q296 PolarHBondContact O-N 3.13Å; R293-Q296 PolarHBondContact O-N 3.38Å; Q296-G298 PolarHBondContact O-N 3.01Å
297E97.9Very high97Very high76 Ų7675.5 Ų75.536%0.35540%0.402SS..THydrogen-bonded Turntrans-81.36.8176-70.1179.8167.800113.5R293 V294 Q295 P327 P328R293-E297 IonicContact CZ-OE2 2.74Å; R293-E297 IonicContact NH1-OE1 2.64Å; R293-E297 IonicContact NH1-OE2 2.71Å; R293-E297 PolarHBondContact NH1-OE2 3.07Å; R293-E297 PolarHBondContact O-N 2.9Å; V294-E297 PolarHBondContact O-N 3.06Å; Q295-E297 VanDerWaalsContact C-N 3.28Å; Q295-E297 PolarHBondContact O-N 3.17Å; E297-P327 HydrophobicContact CB-CB 4.46Å; E297-P328 HydrophobicContact CB-CG 4.4Å; E297-P328 WeakPolarHBondContact O-CG 3.1Å; E297-P328 WeakPolarHBondContact OE2-CA 3.37Å
298G97.7Very high97.1Very high59 Ų5977.6 Ų77.661%0.60841%0.411SS*.THydrogen-bonded Turntrans89.310.9175.300000114.7Q295 Q296Q295-G298 PolarHBondContact O-N 2.78Å; Q295-G298 VanDerWaalsContact O-N 3.07Å; Q296-G298 PolarHBondContact O-N 3.01Å
299G97.9Very high97.1Very high7 Ų775 Ų757%0.07240%0.396CS..  trans-74.5147.3172.800000111.8V294 N311 P328V294-G299 VanDerWaalsContact O-CA 3.29Å; V294-G299 WeakPolarHBondContact O-CA 3.46Å; V294-G299 PolarHBondContact O-N 2.93Å; G299-N311 WeakPolarHBondContact CA-OD1 3.49Å; G299-P328 VanDerWaalsContact N-CG 3.33Å
300T97.8Very high97.1Very high78 Ų7867.5 Ų67.548%0.47936%0.361SS..  trans-107.2139.8170.1-54.90000109.2L302 N311T300-L302 HydrophobicContact CG2-CD2 3.71Å; T300-L302 HydrophobicContact CG2-CG 4.02Å; T300-N311 PolarHBondContact N-OD1 3.33Å; T300-N311 WeakPolarHBondContact O-CA 3.46Å; T300-N311 PolarHBondContact O-N 3.31Å
301I97.8Very high97.1Very high25 Ų2569.5 Ų69.513%0.12837%0.372CS..EExtended strand (participates in β ladder)trans-100.1122.5174.3-62.2165.3000107.9L285 R291 V294 Q295 E308L285-I301 HydrophobicContact CD1-CG1 4.36Å; L285-I301 HydrophobicContact CD1-CG2 3.95Å; L285-I301 HydrophobicContact CD2-CD1 3.66Å; L285-I301 HydrophobicContact CD2-CG1 3.79Å; R291-I301 HydrophobicContact CB-CD1 4.47Å; R291-I301 HydrophobicContact CG-CD1 3.34Å; V294-I301 HydrophobicContact CG1-CG1 4.44Å; Q295-I301 HydrophobicContact CG-CD1 3.97Å; Q295-I301 HydrophobicContact CG-CG1 4.48Å; I301-E308 HydrophobicContact CG2-CB 4.04Å; I301-E308 HydrophobicContact CG2-CG 4.31Å
302L97.4Very high97Very high82 Ų8267.2 Ų67.243%0.42937%0.37SS..EExtended strand (participates in β ladder)trans-125.4131.6-178.8-59.7177.1000109.4T300 V304 R309T300-L302 HydrophobicContact CG2-CD2 3.71Å; T300-L302 HydrophobicContact CG2-CG 4.02Å; L302-V304 PolarHBondContact O-N 3.39Å; L302-R309 PolarHBondContact N-O 3.39Å; L302-R309 VanDerWaalsContact N-O 3.09Å; L302-R309 PolarHBondContact O-N 3.11Å
303D96.7Very high96.8Very high109 Ų10972.6 Ų72.658%0.58338%0.384SS*.EExtended strand (participates in β ladder)trans-71.9122.8166.2-175.4-58.6000109.2G306D303-G306 WeakPolarHBondContact OD1-CA 3.42Å; D303-G306 PolarHBondContact OD1-N 2.83Å
304V95.8Very high96.8Very high54 Ų5471.5 Ų71.533%0.32738%0.381SS..EExtended strand (participates in β ladder)trans-124.5106.1174.8-177.70000108.1L302 G306 E307L302-V304 PolarHBondContact O-N 3.39Å; V304-G306 VanDerWaalsContact C-N 3.27Å; V304-G306 PolarHBondContact O-N 3.28Å; V304-E307 PolarHBondContact N-O 3.45Å; V304-E307 PolarHBondContact O-N 2.96Å
305Q93.9Very high96.6Very high199 Ų19973.2 Ų73.293%0.9339%0.393SS*.THydrogen-bonded Turntrans59.534.4178.6-56.4-177.9-23.600113.6
306G93.2Very high96.6Very high65 Ų6569.4 Ų69.467%0.6738%0.375SS*.THydrogen-bonded Turntrans87.27.8178.500000114.5D303 V304D303-G306 WeakPolarHBondContact OD1-CA 3.42Å; D303-G306 PolarHBondContact OD1-N 2.83Å; V304-G306 VanDerWaalsContact C-N 3.27Å; V304-G306 PolarHBondContact O-N 3.28Å
307E93.7Very high96.6Very high83 Ų8361.7 Ų61.739%0.38834%0.339SS..EExtended strand (participates in β ladder)trans-123.1127.9174.8-168.7-176.3171.300109.7V304 R309 S315V304-E307 PolarHBondContact N-O 3.45Å; V304-E307 PolarHBondContact O-N 2.96Å; E307-R309 VanDerWaalsContact CD-NH2 3.31Å; E307-R309 IonicContact OE1-NH2 3.83Å; E307-R309 IonicContact OE2-CZ 3.8Å; E307-R309 IonicContact OE2-NE 2.87Å; E307-R309 IonicContact OE2-NH2 2.78Å; E307-R309 PolarHBondContact OE2-NH2 3.26Å; E307-S315 WeakPolarHBondContact OE1-CB 3.39Å; E307-S315 PolarHBondContact OE1-OG 2.84Å
308E96.8Very high96.7Very high80 Ų8059.9 Ų59.937%0.37433%0.329SS..EExtended strand (participates in β ladder)trans-73.3133176.4-67.7-169.8112.200110.7L285 I301L285-E308 HydrophobicContact CD1-CB 3.85Å; I301-E308 HydrophobicContact CG2-CB 4.04Å; I301-E308 HydrophobicContact CG2-CG 4.31Å
309R97.7Very high96.7Very high63 Ų6357.1 Ų57.124%0.23830%0.3CS..EExtended strand (participates in β ladder)trans-133.7135.8-177.2-65.6-177.7177.8-92.6-11.1112.1L302 E307 N311 G312 W313 I314L302-R309 PolarHBondContact N-O 3.39Å; L302-R309 VanDerWaalsContact N-O 3.09Å; L302-R309 PolarHBondContact O-N 3.11Å; E307-R309 VanDerWaalsContact CD-NH2 3.31Å; E307-R309 IonicContact OE1-NH2 3.83Å; E307-R309 IonicContact OE2-CZ 3.8Å; E307-R309 IonicContact OE2-NE 2.87Å; E307-R309 IonicContact OE2-NH2 2.78Å; E307-R309 PolarHBondContact OE2-NH2 3.26Å; R309-N311 PolarHBondContact O-N 3.06Å; R309-G312 PolarHBondContact O-N 2.98Å; R309-G312 VanDerWaalsContact O-N 3.09Å; R309-W313 PolarHBondContact NH1-O 2.99Å; R309-I314 CarbonylContact C-O 3.51Å; R309-I314 WeakPolarHBondContact CA-O 3.42Å; R309-I314 WeakPolarHBondContact CB-O 3.42Å
310V97.8Very high96.8Very high0 Ų056.8 Ų56.80%030%0.297CS..EExtended strand (participates in β ladder)trans-63.2121.9170.5-1770000109.1L285 V294 G312 W313 I314 T317 P328L285-V310 HydrophobicContact CD1-CG2 4.09Å; L285-V310 HydrophobicContact CD2-CG2 4.07Å; L285-V310 HydrophobicContact CG-CG2 4.21Å; V294-V310 HydrophobicContact CG1-CG1 3.79Å; V294-V310 HydrophobicContact CG1-CG2 4.1Å; V294-V310 HydrophobicContact CG2-CG2 4.27Å; V310-G312 PolarHBondContact O-N 2.86Å; V310-W313 PolarHBondContact O-N 2.8Å; V310-I314 HydrophobicContact CB-CG2 4.09Å; V310-I314 PolarHBondContact N-O 3.09Å; V310-I314 PolarHBondContact O-N 2.87Å; V310-T317 HydrophobicContact CG2-CG2 4.22Å; V310-P328 HydrophobicContact CG1-CB 4.27Å
311N96.7Very high96.8Very high49 Ų4953 Ų5326%0.26227%0.274SS..THydrogen-bonded Turntrans51.821.1-172.2-63.3-27.3000113.9G299 T300 R309 W313 L325G299-N311 WeakPolarHBondContact CA-OD1 3.49Å; T300-N311 PolarHBondContact N-OD1 3.33Å; T300-N311 WeakPolarHBondContact O-CA 3.46Å; T300-N311 PolarHBondContact O-N 3.31Å; R309-N311 PolarHBondContact O-N 3.06Å; N311-W313 VanDerWaalsContact C-N 3.29Å; N311-W313 PolarHBondContact O-N 3.08Å; N311-W313 PolarHBondContact O-NE1 2.98Å; N311-L325 HydrophobicContact CB-CD2 4.42Å
312G95.9Very high96.8Very high20 Ų2052.4 Ų52.421%0.20627%0.271CS..THydrogen-bonded Turntrans75.47.4-174.400000115.5R309 V310R309-G312 PolarHBondContact O-N 2.98Å; R309-G312 VanDerWaalsContact O-N 3.09Å; V310-G312 PolarHBondContact O-N 2.86Å
313W95.7Very high96.8Very high192 Ų19249.9 Ų49.973%0.72726%0.257SS*.THydrogen-bonded Turntrans-106.1-49.5-174-66.797.5000113.7R309 V310 N311 L325R309-W313 PolarHBondContact NH1-O 2.99Å; V310-W313 PolarHBondContact O-N 2.8Å; N311-W313 VanDerWaalsContact C-N 3.29Å; N311-W313 PolarHBondContact O-N 3.08Å; N311-W313 PolarHBondContact O-NE1 2.98Å; W313-L325 HydrophobicContact CB-CD1 4.33Å; W313-L325 HydrophobicContact CB-CD2 4.39Å; W313-L325 HydrophobicContact CG-CD2 4.33Å
314I96.8Very high96.8Very high14 Ų1450.8 Ų50.87%0.07226%0.258CS..BIsolated β-bridgetrans-133.9146.5-166.3-166168000112H190 R309 V310 V316 L325 L329H190-I314 VanDerWaalsContact CE1-CD1 3.48Å; H190-I314 WeakPolarHBondContact CE1-CD1 3.43Å; H190-I314 WeakPolarHBondContact NE2-CD1 3.48Å; R309-I314 CarbonylContact C-O 3.51Å; R309-I314 WeakPolarHBondContact CA-O 3.42Å; R309-I314 WeakPolarHBondContact CB-O 3.42Å; V310-I314 HydrophobicContact CB-CG2 4.09Å; V310-I314 PolarHBondContact N-O 3.09Å; V310-I314 PolarHBondContact O-N 2.87Å; I314-V316 HydrophobicContact CD1-CG2 3.47Å; I314-V316 VanDerWaalsContact CD1-CG2 3.47Å; I314-V316 HydrophobicContact CG1-CG2 3.71Å; I314-L325 HydrophobicContact CB-CD1 4.41Å; I314-L325 HydrophobicContact CG2-CD1 3.8Å; I314-L329 HydrophobicContact CD1-CD2 4.27Å; I314-L329 HydrophobicContact CG2-CD1 3.78Å; I314-L329 HydrophobicContact CG2-CD2 4.09Å
315S95.7Very high96.9Very high35 Ų3549.3 Ų49.325%0.24525%0.248CC..SBendtrans-87.5-30.3-177.447.50000113.9E307E307-S315 WeakPolarHBondContact OE1-CB 3.39Å; E307-S315 PolarHBondContact OE1-OG 2.84Å
316V98.1Very high97Very high5 Ų542 Ų423%0.0321%0.214CC..BIsolated β-bridgetrans-72.2153.4172.2-62.70000111.7T246 D264 H283 I314 L329T246-V316 HydrophobicContact CG2-CG1 4.42Å; D264-V316 HydrophobicContact CB-CG1 3.99Å; D264-V316 VanDerWaalsContact CG-CG1 3.43Å; D264-V316 WeakPolarHBondContact OD2-CG1 3.27Å; H283-V316 WeakPolarHBondContact O-CA 3.28Å; I314-V316 HydrophobicContact CD1-CG2 3.47Å; I314-V316 VanDerWaalsContact CD1-CG2 3.47Å; I314-V316 HydrophobicContact CG1-CG2 3.71Å; V316-L329 WeakPolarHBondContact O-CD1 3.29Å
317T98.5Very high97.2Very high0 Ų043.3 Ų43.30%021%0.21CC..SBendtrans-103.5-13.417956.20000112.8H283 C284 L285 E290 R293 V294 V310 L329 S330H283-T317 PolarHBondContact O-N 3.22Å; H283-T317 PolarHBondContact O-OG1 3.38Å; C284-T317 PolarHBondContact N-OG1 2.97Å; L285-T317 HydrophobicContact CD2-CG2 3.66Å; L285-T317 HydrophobicContact CG-CG2 3.82Å; E290-T317 HydrophobicContact CB-CG2 4.11Å; E290-T317 VanDerWaalsContact OE2-CB 3.28Å; E290-T317 WeakPolarHBondContact OE2-CB 3.25Å; E290-T317 PolarHBondContact OE2-OG1 2.99Å; R293-T317 PolarHBondContact NH2-O 2.99Å; V294-T317 HydrophobicContact CG2-CG2 3.86Å; V310-T317 HydrophobicContact CG2-CG2 4.22Å; T317-L329 WeakPolarHBondContact O-CA 3.39Å; T317-S330 PolarHBondContact O-N 3.19Å
318R98.7Very high97.3Very high39 Ų3939.7 Ų39.715%0.14719%0.194CC..BIsolated β-bridgetrans-135.3142.9175-54.1-167.6-166.8-171.84.8111.3V262 G263 H283 E290 S330 E332V262-R318 HydrophobicContact CB-CB 3.93Å; V262-R318 HydrophobicContact CG1-CB 4.16Å; G263-R318 VanDerWaalsContact CA-O 3.31Å; G263-R318 WeakPolarHBondContact CA-O 3.32Å; G263-R318 PolarHBondContact N-O 3.44Å; G263-R318 VanDerWaalsContact N-O 3.07Å; H283-R318 HydrophobicContact CB-CB 3.99Å; H283-R318 HydrophobicContact CB-CG 3.91Å; E290-R318 IonicContact OE1-CZ 2.73Å; E290-R318 VanDerWaalsContact OE1-CZ 3.3Å; E290-R318 IonicContact OE1-NE 3.82Å; E290-R318 PolarHBondContact OE1-NE 2.96Å; E290-R318 IonicContact OE1-NH2 3.42Å; E290-R318 PolarHBondContact OE1-NH2 2.9Å; E290-R318 VanDerWaalsContact OE2-CG 3.32Å; E290-R318 WeakPolarHBondContact OE2-CG 3.36Å; E290-R318 IonicContact OE2-NE 3.47Å; E290-R318 PolarHBondContact OE2-NE 2.79Å; R318-S330 CarbonylContact C-O 3.55Å; R318-S330 WeakPolarHBondContact CA-O 3.28Å; R318-S330 VanDerWaalsContact CB-O 3.29Å; R318-S330 WeakPolarHBondContact CB-O 3.26Å; R318-E332 VanDerWaalsContact CD-O 3.25Å; R318-E332 WeakPolarHBondContact CD-O 3.39Å; R318-E332 PolarHBondContact NH1-O 3.16Å
319S98.7Very high97.4Very high0 Ų035.9 Ų35.90%018%0.176CC..  trans-162.2162.7178.569.80000111.4C245 D322 K326 L329 S330 A331C245-S319 WeakPolarHBondContact O-CA 3.46Å; C245-S319 WeakPolarHBondContact O-CB 3.15Å; S319-D322 VanDerWaalsContact CB-OD2 3.24Å; S319-D322 WeakPolarHBondContact CB-OD2 3.49Å; S319-D322 PolarHBondContact OG-OD2 2.85Å; S319-K326 PolarHBondContact O-NZ 2.89Å; S319-L329 WeakPolarHBondContact OG-CD2 3.33Å; S319-L329 WeakPolarHBondContact OG-CG 3.33Å; S319-S330 PolarHBondContact N-O 3.17Å; S319-A331 WeakPolarHBondContact O-CA 3.47Å
320L98.9Very high97.4Very high0 Ų033.7 Ų33.70%017%0.171CC..EExtended strand (participates in β ladder)trans-88.8147.7162.7-59.4178.5000109.7A199 L203 F225 T228 E229 L232 G244 C245 A247 V262 A331A199-L320 HydrophobicContact CB-CD1 3.81Å; L203-L320 HydrophobicContact CD1-CD1 4.42Å; F225-L320 HydrophobicContact CD1-CD2 4.26Å; T228-L320 HydrophobicContact CG2-CD1 4.35Å; E229-L320 HydrophobicContact CB-CD2 4.06Å; E229-L320 WeakPolarHBondContact OE2-CA 3.45Å; L232-L320 HydrophobicContact CD2-CB 4Å; G244-L320 CarbonylContact C-O 3.43Å; G244-L320 WeakPolarHBondContact CA-O 3.4Å; C245-L320 PolarHBondContact N-O 3.27Å; C245-L320 PolarHBondContact O-N 3.49Å; A247-L320 HydrophobicContact CB-CD1 3.9Å; A247-L320 HydrophobicContact CB-CG 4.46Å; V262-L320 HydrophobicContact CG2-CD2 4.34Å; V262-L320 HydrophobicContact CG2-CG 3.94Å; L320-A331 HydrophobicContact CD2-CB 4.26Å
321G98.4Very high97.4Very high0 Ų034.7 Ų34.70%018%0.178CC..EExtended strand (participates in β ladder)trans81.7-124.8-178.900000111.9E229 I323 K326E229-G321 PolarHBondContact OE2-N 3.49Å; G321-I323 PolarHBondContact O-N 3.42Å; G321-K326 WeakPolarHBondContact O-CE 3.4Å
322D98.1Very high97.5Very high11 Ų1138.7 Ų38.76%0.05920%0.196CC..  trans42.444.9177.5-73-47.7000114H190 S243 G244 S319 Q324 L325 K326 L329H190-D322 IonicContact CD2-OD1 3.88Å; H190-D322 IonicContact CD2-OD2 3.63Å; H190-D322 IonicContact CE1-OD2 3.52Å; H190-D322 PolarHBondContact CE1-OD2 3.35Å; H190-D322 VanDerWaalsContact NE2-CG 3.27Å; H190-D322 IonicContact NE2-OD1 3.99Å; H190-D322 PolarHBondContact NE2-OD1 3.41Å; H190-D322 VanDerWaalsContact NE2-OD1 3.07Å; H190-D322 IonicContact NE2-OD2 2.66Å; H190-D322 PolarHBondContact NE2-OD2 2.71Å; S243-D322 PolarHBondContact O-N 2.68Å; G244-D322 WeakPolarHBondContact CA-OD2 3.14Å; G244-D322 PolarHBondContact N-OD1 3.08Å; S319-D322 VanDerWaalsContact CB-OD2 3.24Å; S319-D322 WeakPolarHBondContact CB-OD2 3.49Å; S319-D322 PolarHBondContact OG-OD2 2.85Å; D322-Q324 PolarHBondContact O-N 3.07Å; D322-L325 HydrophobicContact CB-CB 4.32Å; D322-L325 HydrophobicContact CB-CD1 4.36Å; D322-L325 PolarHBondContact O-N 3.42Å; D322-K326 PolarHBondContact O-N 2.88Å; D322-L329 HydrophobicContact CB-CD2 3.45Å; D322-L329 VanDerWaalsContact CB-CD2 3.45Å; D322-L329 VanDerWaalsContact OD2-CD2 3.22Å; D322-L329 WeakPolarHBondContact OD2-CD2 3.38Å
323I97.6Very high97.6Very high29 Ų2938.4 Ų38.415%0.14919%0.19CC..THydrogen-bonded Turntrans-55.2-25.8-166.4-173.1166.8000114.1L233 C236 K237 R242 G321L233-I323 HydrophobicContact CD2-CB 3.86Å; L233-I323 HydrophobicContact CD2-CD1 4.19Å; L233-I323 HydrophobicContact CD2-CG1 3.96Å; C236-I323 HydrophobicContact CB-CD1 4.41Å; C236-I323 HydrophobicContact CB-CG2 4.5Å; K237-I323 HydrophobicContact CD-CD1 4.1Å; K237-I323 HydrophobicContact CG-CD1 3.32Å; R242-I323 VanDerWaalsContact NH1-CG2 3.29Å; G321-I323 PolarHBondContact O-N 3.42Å
324Q96.3Very high97.7Very high129 Ų12929.8 Ų29.860%0.60316%0.161SC*.THydrogen-bonded Turntrans-82.7-16.3-179.7-61.6-178.3-70.900113.6R242 D322R242-Q324 VanDerWaalsContact CD-CD 3.42Å; D322-Q324 PolarHBondContact O-N 3.07Å
325L97Very high97.8Very high22 Ų2232.2 Ų32.212%0.11517%0.17CC..THydrogen-bonded Turntrans-102-4-178.1-57.6178.1000112.5N311 W313 I314 D322 P328 L329N311-L325 HydrophobicContact CB-CD2 4.42Å; W313-L325 HydrophobicContact CB-CD1 4.33Å; W313-L325 HydrophobicContact CB-CD2 4.39Å; W313-L325 HydrophobicContact CG-CD2 4.33Å; I314-L325 HydrophobicContact CB-CD1 4.41Å; I314-L325 HydrophobicContact CG2-CD1 3.8Å; D322-L325 HydrophobicContact CB-CB 4.32Å; D322-L325 HydrophobicContact CB-CD1 4.36Å; D322-L325 PolarHBondContact O-N 3.42Å; L325-P328 VanDerWaalsContact O-CD 3.31Å; L325-P328 WeakPolarHBondContact O-CD 3.25Å; L325-L329 HydrophobicContact CB-CB 3.88Å; L325-L329 HydrophobicContact CB-CD2 3.92Å; L325-L329 HydrophobicContact CD1-CD2 3.88Å; L325-L329 PolarHBondContact O-N 2.77Å; L325-L329 VanDerWaalsContact O-N 3.08Å
326K97.3Very high98Very high47 Ų4733.1 Ų33.120%0.20417%0.172CC..THydrogen-bonded Turntrans-71.5142.3167.3-49.6-56.9176.2172.50109.4E229 S319 G321 D322 L329E229-K326 VanDerWaalsContact OE1-CE 3.25Å; E229-K326 WeakPolarHBondContact OE1-CE 3.44Å; E229-K326 IonicContact OE1-NZ 3.5Å; E229-K326 PolarHBondContact OE1-NZ 2.84Å; S319-K326 PolarHBondContact O-NZ 2.89Å; G321-K326 WeakPolarHBondContact O-CE 3.4Å; D322-K326 PolarHBondContact O-N 2.88Å; K326-L329 WeakPolarHBondContact CD-O 3.17Å; K326-L329 VanDerWaalsContact CE-O 3.3Å; K326-L329 WeakPolarHBondContact CE-O 3.07Å; K326-L329 PolarHBondContact NZ-O 2.87Å
327P95.9Very high97.9Very high92 Ų9236.3 Ų36.360%0.59719%0.187SC*.THydrogen-bonded Turncis-72.7-35.51.5-19.632.6000118.9E297 L329E297-P327 HydrophobicContact CB-CB 4.46Å; P327-L329 CarbonylContact O-C 3.54Å; P327-L329 PolarHBondContact O-N 3.09Å
328P97.3Very high97.9Very high7 Ų737.1 Ų37.15%0.04519%0.192CC..THydrogen-bonded Turntrans-52.2-32-166.9-30.732.5000115.8R293 V294 E297 G299 V310 L325 S330R293-P328 PolarHBondContact NH1-O 2.85Å; V294-P328 HydrophobicContact CG1-CB 4.33Å; E297-P328 HydrophobicContact CB-CG 4.4Å; E297-P328 WeakPolarHBondContact O-CG 3.1Å; E297-P328 WeakPolarHBondContact OE2-CA 3.37Å; G299-P328 VanDerWaalsContact N-CG 3.33Å; V310-P328 HydrophobicContact CG1-CB 4.27Å; L325-P328 VanDerWaalsContact O-CD 3.31Å; L325-P328 WeakPolarHBondContact O-CD 3.25Å; P328-S330 PolarHBondContact O-N 3.42Å
329L97.9Very high97.8Very high0 Ų044.4 Ų44.40%022%0.22CC..SBendtrans-87.685.8174-154.672.5000110.1I314 V316 T317 S319 D322 L325 K326 P327I314-L329 HydrophobicContact CD1-CD2 4.27Å; I314-L329 HydrophobicContact CG2-CD1 3.78Å; I314-L329 HydrophobicContact CG2-CD2 4.09Å; V316-L329 WeakPolarHBondContact O-CD1 3.29Å; T317-L329 WeakPolarHBondContact O-CA 3.39Å; S319-L329 WeakPolarHBondContact OG-CD2 3.33Å; S319-L329 WeakPolarHBondContact OG-CG 3.33Å; D322-L329 HydrophobicContact CB-CD2 3.45Å; D322-L329 VanDerWaalsContact CB-CD2 3.45Å; D322-L329 VanDerWaalsContact OD2-CD2 3.22Å; D322-L329 WeakPolarHBondContact OD2-CD2 3.38Å; L325-L329 HydrophobicContact CB-CB 3.88Å; L325-L329 HydrophobicContact CB-CD2 3.92Å; L325-L329 HydrophobicContact CD1-CD2 3.88Å; L325-L329 PolarHBondContact O-N 2.77Å; L325-L329 VanDerWaalsContact O-N 3.08Å; K326-L329 WeakPolarHBondContact CD-O 3.17Å; K326-L329 VanDerWaalsContact CE-O 3.3Å; K326-L329 WeakPolarHBondContact CE-O 3.07Å; K326-L329 PolarHBondContact NZ-O 2.87Å; P327-L329 CarbonylContact O-C 3.54Å; P327-L329 PolarHBondContact O-N 3.09Å
330S98.1Very high97.7Very high17 Ų1747.7 Ų47.712%0.11923%0.232CC..BIsolated β-bridgetrans-64.6151-173.2179.80000112.5T317 R318 S319 P328 E332T317-S330 PolarHBondContact O-N 3.19Å; R318-S330 CarbonylContact C-O 3.55Å; R318-S330 WeakPolarHBondContact CA-O 3.28Å; R318-S330 VanDerWaalsContact CB-O 3.29Å; R318-S330 WeakPolarHBondContact CB-O 3.26Å; S319-S330 PolarHBondContact N-O 3.17Å; P328-S330 PolarHBondContact O-N 3.42Å; S330-E332 WeakPolarHBondContact OG-CB 3.36Å; S330-E332 PolarHBondContact OG-N 3.35Å
331A98.4Very high97.5Very high20 Ų2050.1 Ų50.117%0.16525%0.249CC..  trans-103.83.7169.100000112.3E229 S319 L320 P333E229-A331 HydrophobicContact CB-CB 4.12Å; E229-A331 HydrophobicContact CG-CB 3.55Å; S319-A331 WeakPolarHBondContact O-CA 3.47Å; L320-A331 HydrophobicContact CD2-CB 4.26Å; A331-P333 WeakPolarHBondContact O-CD 3.33Å
332E98.3Very high97.2Very high134 Ų13455.4 Ų55.463%0.62628%0.283SS*.PPolyproline II helixtrans-72.9118.9178.2-174.5173.817700109.9R318 S330R318-E332 VanDerWaalsContact CD-O 3.25Å; R318-E332 WeakPolarHBondContact CD-O 3.39Å; R318-E332 PolarHBondContact NH1-O 3.16Å; S330-E332 WeakPolarHBondContact OG-CB 3.36Å; S330-E332 PolarHBondContact OG-N 3.35Å
333P98.5Very high96.9Very high13 Ų1360.5 Ų60.58%0.08431%0.306CS..PPolyproline II helixtrans-77.2148.7-176.332.6-36.9000112.3L222 F225 W261 V262 A331L222-P333 HydrophobicContact CD2-CG 3.59Å; F225-P333 HydrophobicContact CB-CB 4.48Å; F225-P333 HydrophobicContact CB-CG 3.79Å; F225-P333 HydrophobicContact CD1-CB 3.77Å; F225-P333 HydrophobicContact CD1-CG 4.02Å; F225-P333 HydrophobicContact CD2-CB 4.34Å; F225-P333 HydrophobicContact CD2-CG 4.19Å; F225-P333 HydrophobicContact CE1-CB 3.98Å; F225-P333 HydrophobicContact CG-CB 3.96Å; F225-P333 HydrophobicContact CG-CG 3.75Å; F225-P333 HydrophobicContact CZ-CB 4.36Å; W261-P333 CarbonylContact O-C 3.59Å; W261-P333 WeakPolarHBondContact O-CA 3.27Å; W261-P333 WeakPolarHBondContact O-CB 3.22Å; V262-P333 HydrophobicContact CG1-CB 4.07Å; A331-P333 WeakPolarHBondContact O-CD 3.33Å
334G98.3Very high96.9Very high12 Ų1260 Ų6012%0.12430%0.303CS..EExtended strand (participates in β ladder)trans-67.3159.5158.600000110.2A260 W261A260-G334 VanDerWaalsContact CA-O 3.25Å; A260-G334 WeakPolarHBondContact CA-O 3.29Å; W261-G334 VanDerWaalsContact CZ3-C 3.48Å; W261-G334 PolarHBondContact N-O 3.13Å; W261-G334 PolarHBondContact O-N 3.3Å
335Y98.4Very high96.9Very high64 Ų6453.9 Ų53.925%0.25128%0.275SS..EExtended strand (participates in β ladder)trans-142.1138.2177.2174.3-91.8000111.4R218 L221 Y258 T259 M337R218-Y335 HydrophobicContact CB-CD2 4.41Å; R218-Y335 HydrophobicContact CB-CE1 4.02Å; R218-Y335 HydrophobicContact CB-CE2 3.79Å; R218-Y335 HydrophobicContact CG-CD1 3.89Å; R218-Y335 HydrophobicContact CG-CD2 4.02Å; R218-Y335 HydrophobicContact CG-CE1 3.74Å; R218-Y335 HydrophobicContact CG-CE2 3.88Å; R218-Y335 HydrophobicContact CG-CG 4.02Å; L221-Y335 HydrophobicContact CD1-CE2 4.16Å; Y258-Y335 WeakPolarHBondContact CD1-OH 3.39Å; T259-Y335 CarbonylContact O-C 3.56Å; T259-Y335 WeakPolarHBondContact O-CA 3.43Å; Y335-M337 HydrophobicContact CE1-CB 4.19Å
336N98.4Very high96.9Very high55 Ų5552.8 Ų52.829%0.29427%0.269SS..EExtended strand (participates in β ladder)trans-142.6153.4172.2-170.420.7000111T259 W261 L279T259-N336 PolarHBondContact N-O 2.91Å; T259-N336 PolarHBondContact O-N 3.48Å; W261-N336 HydrophobicContact CZ3-CB 4.26Å; L279-N336 VanDerWaalsContact O-CB 3.28Å; L279-N336 WeakPolarHBondContact O-CB 3.45Å; L279-N336 PolarHBondContact O-ND2 3.45Å
337M97.5Very high97Very high71 Ų7150.6 Ų50.635%0.3526%0.259SS..EExtended strand (participates in β ladder)trans-136.9129173.7178.7-81.1-63.300110A256 I257 Y258 Y335 R339A256-M337 HydrophobicContact CB-CG 4.37Å; A256-M337 HydrophobicContact CB-SD 4.26Å; I257-M337 WeakPolarHBondContact O-CA 3.46Å; Y258-M337 HydrophobicContact CD1-CB 3.94Å; Y258-M337 HydrophobicContact CD1-CG 3.45Å; Y258-M337 VanDerWaalsContact CD1-CG 3.45Å; Y258-M337 HydrophobicContact CE1-CB 4.33Å; Y258-M337 HydrophobicContact CE1-CG 3.41Å; Y258-M337 VanDerWaalsContact CE1-CG 3.41Å; Y258-M337 HydrophobicContact CG-CG 4.48Å; Y335-M337 HydrophobicContact CE1-CB 4.19Å; M337-R339 HydrophobicContact SD-CG 4.2Å
338V97.9Very high97.1Very high17 Ų1746.2 Ų46.210%0.10323%0.231CC..EExtended strand (participates in β ladder)trans-121.4126.2177173.30000108.8A256 I257 I269 L279 R340A256-V338 CarbonylContact C-O 3.58Å; A256-V338 WeakPolarHBondContact CA-O 3.47Å; I257-V338 PolarHBondContact N-O 3.2Å; I257-V338 PolarHBondContact O-N 3.27Å; I269-V338 HydrophobicContact CD1-CG1 4.26Å; L279-V338 HydrophobicContact CD2-CB 4.26Å; L279-V338 HydrophobicContact CD2-CG2 3.64Å; V338-R340 PolarHBondContact O-N 3.36Å
339R97.4Very high97.2Very high193 Ų19345.9 Ų45.973%0.72823%0.229SC*.EExtended strand (participates in β ladder)trans-67.8132.7170-62.5-174.1-150.9-83.6-1.6109M337 H344M337-R339 HydrophobicContact SD-CG 4.2Å; R339-H344 PolarHBondContact O-CE1 2.9Å
340R95.6Very high97.2Very high68 Ų6845.9 Ų45.926%0.25723%0.229SC..  trans-65.7138.9174.4-70.9177.165.5-174.9-2.5109.5S253 S255 I257 V338 L407S253-R340 WeakPolarHBondContact O-CD 3.47Å; S253-R340 PolarHBondContact O-NH1 2.64Å; S255-R340 PolarHBondContact O-N 3.39Å; I257-R340 HydrophobicContact CD1-CG 4.05Å; I257-R340 HydrophobicContact CG1-CG 3.87Å; V338-R340 PolarHBondContact O-N 3.36Å; R340-L407 PolarHBondContact NH2-O 2.75Å
341C94.4Very high97.3Very high52 Ų5245 Ų4535%0.35122%0.223SC..  trans-128.8160.3172.278.10000110.9H343 H344C341-H343 PolarHBondContact O-N 2.95Å; C341-H344 PolarHBondContact N-ND1 2.94Å; C341-H344 WeakPolarHBondContact O-CB 3.11Å; C341-H344 PolarHBondContact O-N 2.85Å
342P91.9Very high97.2Very high110 Ų11045.5 Ų45.571%0.71422%0.223SC*.THydrogen-bonded Turntrans-61.6-13-178.8-25.635.8000115.6Q408P342-Q408 PolarHBondContact O-NE2 3.24Å
343H93.2Very high97.1Very high119 Ų11939.1 Ų39.155%0.55119%0.193SC*.THydrogen-bonded Turntrans-86.6-19.6176.2-60.8-59.2000112.9D271 C341 C345D271-H343 WeakPolarHBondContact CA-O 3.47Å; D271-H343 HydrophobicContact CB-CB 4.29Å; D271-H343 WeakPolarHBondContact CB-O 3.41Å; C341-H343 PolarHBondContact O-N 2.95Å; H343-C345 PolarHBondContact O-N 3.3Å; H343-C345 VanDerWaalsContact O-N 3.13Å; H343-C345 PolarHBondContact O-SG 2.84Å
344H96.7Very high97.1Very high17 Ų1738.5 Ų38.58%0.07919%0.189CC..  trans-67.4112.2177.6-65.1157.7000109.8I269 Q277 R339 C341 L407 Q408I269-H344 HydrophobicContact CG2-CB 3.81Å; I269-H344 WeakPolarHBondContact CG2-CD2 3.39Å; Q277-H344 PolarHBondContact OE1-NE2 3.45Å; R339-H344 PolarHBondContact O-CE1 2.9Å; C341-H344 PolarHBondContact N-ND1 2.94Å; C341-H344 WeakPolarHBondContact O-CB 3.11Å; C341-H344 PolarHBondContact O-N 2.85Å; H344-L407 HydrophobicContact CB-CD1 3.7Å; H344-Q408 PolarHBondContact O-NE2 2.61Å
345C96.7Very high97.1Very high1 Ų139.3 Ų39.31%0.00719%0.188CC..  trans-99.9-53.2-175-63.60000111.3L270 H343 L407 V413 F417L270-C345 WeakPolarHBondContact O-CB 3.48Å; L270-C345 PolarHBondContact O-N 3.08Å; H343-C345 PolarHBondContact O-N 3.3Å; H343-C345 VanDerWaalsContact O-N 3.13Å; H343-C345 PolarHBondContact O-SG 2.84Å; C345-L407 PolarHBondContact O-N 3.31Å; C345-V413 HydrophobicContact CB-CG1 4.37Å; C345-V413 HydrophobicContact CB-CG2 4.36Å; C345-F417 HydrophobicContact CB-CE2 3.89Å; C345-F417 HydrophobicContact CB-CZ 4.47Å
346L98Very high97Very high0 Ų042.1 Ų42.10%021%0.208CC..EExtended strand (participates in β ladder)trans-128.6139.8-175.6-61.4174.3000110.4I269 L270 L348 V367 L382 V404 I405 Y406 V413 F417I269-L346 CarbonylContact C-O 3.6Å; I269-L346 VanDerWaalsContact CA-O 3.28Å; I269-L346 WeakPolarHBondContact CA-O 3.22Å; L270-L346 HydrophobicContact CB-CB 4.39Å; L270-L346 PolarHBondContact N-O 3.03Å; L270-L346 PolarHBondContact O-N 3.43Å; L346-L348 HydrophobicContact CB-CD1 3.74Å; L346-V367 HydrophobicContact CD1-CG1 3.64Å; L346-V367 HydrophobicContact CD1-CG2 4.14Å; L346-L382 HydrophobicContact CD1-CD2 3.76Å; L346-V404 HydrophobicContact CD2-CG1 4.07Å; L346-I405 CarbonylContact C-O 3.31Å; L346-I405 WeakPolarHBondContact CA-O 3.23Å; L346-Y406 HydrophobicContact CD2-CD1 3.51Å; L346-Y406 HydrophobicContact CD2-CE1 3.7Å; L346-Y406 HydrophobicContact CD2-CG 4.07Å; L346-V413 HydrophobicContact CD2-CG1 4.03Å; L346-V413 HydrophobicContact CG-CG1 4.21Å; L346-F417 HydrophobicContact CD1-CE2 4.3Å
347L98.7Very high96.9Very high0 Ų040.1 Ų40.10%020%0.2CC..EExtended strand (participates in β ladder)trans-110126.4164.8165.364.7000107.8C250 V252 I257 A267 I268 I269 L279 L349 I405 L407C250-L347 HydrophobicContact CB-CD2 3.99Å; V252-L347 HydrophobicContact CG2-CD2 3.81Å; I257-L347 HydrophobicContact CD1-CD2 4.49Å; I257-L347 HydrophobicContact CG2-CD2 4.14Å; A267-L347 HydrophobicContact CB-CD1 4.45Å; I268-L347 WeakPolarHBondContact O-CA 3.42Å; I269-L347 HydrophobicContact CG1-CD1 4.1Å; L279-L347 HydrophobicContact CD1-CD1 3.51Å; L347-L349 HydrophobicContact CD1-CD1 3.82Å; L347-L349 HydrophobicContact CD2-CD1 4Å; L347-L349 HydrophobicContact CG-CD1 3.64Å; L347-I405 HydrophobicContact CB-CB 4.15Å; L347-I405 HydrophobicContact CD2-CD1 4.19Å; L347-I405 HydrophobicContact CG-CD1 4.03Å; L347-I405 PolarHBondContact N-O 3.3Å; L347-I405 WeakPolarHBondContact O-CD1 3.42Å; L347-I405 PolarHBondContact O-N 3.04Å; L347-L407 HydrophobicContact CB-CD1 3.98Å; L347-L407 HydrophobicContact CB-CD2 4.04Å; L347-L407 HydrophobicContact CB-CG 4.04Å
348L98.8Very high96.9Very high0 Ų036.9 Ų36.90%018%0.184CC..EExtended strand (participates in β ladder)trans-117.4130.4178.9-6783.4000109.3A267 I268 L270 L346 W355 C363 L386 L402 I403 V404A267-L348 CarbonylContact C-O 3.55Å; A267-L348 WeakPolarHBondContact CA-O 3.4Å; I268-L348 HydrophobicContact CG1-CB 4.04Å; I268-L348 HydrophobicContact CG1-CD1 4.41Å; I268-L348 PolarHBondContact N-O 3.02Å; I268-L348 PolarHBondContact O-N 3.16Å; L270-L348 HydrophobicContact CD1-CD1 3.7Å; L270-L348 HydrophobicContact CG-CD1 3.84Å; L346-L348 HydrophobicContact CB-CD1 3.74Å; L348-W355 HydrophobicContact CB-CH2 4.39Å; L348-W355 HydrophobicContact CB-CZ2 4.4Å; L348-C363 VanDerWaalsContact CD2-SG 3.53Å; L348-L386 HydrophobicContact CD2-CD1 3.85Å; L348-L402 HydrophobicContact CB-CD1 4.33Å; L348-L402 HydrophobicContact CD2-CD1 4.38Å; L348-I403 WeakPolarHBondContact CA-O 3.44Å; L348-V404 HydrophobicContact CD2-CG2 4.21Å; L348-V404 HydrophobicContact CG-CG2 4.2Å
349L98.7Very high96.8Very high0 Ų038.8 Ų38.80%020%0.198CC..EExtended strand (participates in β ladder)trans-116.8124.3170.1-74.365.9000108F184 V186 L248 C250 A267 L347 L402 I403 I405F184-L349 HydrophobicContact CB-CD2 4.06Å; V186-L349 HydrophobicContact CG1-CB 4.16Å; V186-L349 HydrophobicContact CG2-CB 4.33Å; L248-L349 HydrophobicContact CD2-CB 4.27Å; L248-L349 HydrophobicContact CD2-CG 4.17Å; L248-L349 HydrophobicContact CG-CD2 4.37Å; L248-L349 HydrophobicContact CG-CG 4.42Å; C250-L349 HydrophobicContact CB-CD1 4.06Å; C250-L349 HydrophobicContact CB-CD2 3.98Å; C250-L349 HydrophobicContact CB-CG 4.44Å; A267-L349 HydrophobicContact CB-CD1 4.39Å; A267-L349 HydrophobicContact CB-CG 4.16Å; L347-L349 HydrophobicContact CD1-CD1 3.82Å; L347-L349 HydrophobicContact CD2-CD1 4Å; L347-L349 HydrophobicContact CG-CD1 3.64Å; L349-L402 CarbonylContact O-C 3.45Å; L349-L402 WeakPolarHBondContact O-CA 3.25Å; L349-I403 HydrophobicContact CB-CB 4.42Å; L349-I403 PolarHBondContact N-O 3.42Å; L349-I403 PolarHBondContact O-N 3.33Å; L349-I405 HydrophobicContact CD1-CD1 3.63Å
350G98.5Very high96.9Very high0 Ų030.7 Ų30.70%017%0.171CC..EExtended strand (participates in β ladder)trans-139.1151.1179.300000113.3S265 L266 W355 T401S265-G350 WeakPolarHBondContact CA-O 3.3Å; S265-G350 WeakPolarHBondContact CB-O 3.44Å; L266-G350 PolarHBondContact N-O 3.2Å; L266-G350 PolarHBondContact O-N 2.82Å; G350-W355 VanDerWaalsContact CA-NE1 3.34Å; G350-W355 VanDerWaalsContact O-CD1 3.24Å; G350-W355 PolarHBondContact O-NE1 3.05Å; G350-W355 VanDerWaalsContact O-NE1 3.08Å; G350-T401 VanDerWaalsContact CA-O 3.28Å; G350-T401 WeakPolarHBondContact CA-O 3.4Å
351T98.5Very high96.9Very high0 Ų034.5 Ų34.50%019%0.189CC..  trans-77.1167.7167.855.10000110.9D159 V186 D188 G353 F354 W355 T401D159-T351 PolarHBondContact OD2-OG1 3.49Å; V186-T351 HydrophobicContact CB-CG2 4.21Å; V186-T351 HydrophobicContact CG2-CG2 4.35Å; D188-T351 HydrophobicContact CB-CG2 3.75Å; T351-G353 PolarHBondContact O-N 3.31Å; T351-F354 WeakPolarHBondContact O-CB 3.5Å; T351-F354 PolarHBondContact O-N 3.35Å; T351-W355 VanDerWaalsContact O-CD1 3.24Å; T351-W355 PolarHBondContact O-N 3.08Å; T351-T401 PolarHBondContact N-O 3.08Å; T351-T401 PolarHBondContact OG1-N 3.24Å; T351-T401 PolarHBondContact OG1-O 2.89Å
352D97.1Very high97Very high30 Ų3034.2 Ų34.216%0.1619%0.185CC..Hα-helixtrans-55.4-38.3176.965.7-22.7000111.9F354 W355 D356D352-F354 CarbonylContact O-C 3.51Å; D352-F354 PolarHBondContact O-N 3.45Å; D352-W355 PolarHBondContact O-N 3.34Å; D352-D356 VanDerWaalsContact O-CB 3.27Å; D352-D356 WeakPolarHBondContact O-CB 3.45Å; D352-D356 VanDerWaalsContact O-CG 3.32Å; D352-D356 PolarHBondContact O-N 3.09Å
353G97.1Very high97.3Very high0 Ų029 Ų290%015%0.151CC..Hα-helixtrans-58.8-19.517500000114.3T351 S396 N399 L400T351-G353 PolarHBondContact O-N 3.31Å; G353-S396 VanDerWaalsContact O-CB 3.22Å; G353-S396 WeakPolarHBondContact O-CB 3.41Å; G353-S396 PolarHBondContact O-OG 2.91Å; G353-N399 WeakPolarHBondContact CA-O 3.28Å; G353-L400 WeakPolarHBondContact O-CD1 3.48Å
354F98.3Very high97.4Very high0 Ų023.6 Ų23.60%013%0.127CC..Hα-helixtrans-86.9-53.2165.9176.2-107.6000112T351 D352 D356 G357 I358 L386 A390 L400 L402T351-F354 WeakPolarHBondContact O-CB 3.5Å; T351-F354 PolarHBondContact O-N 3.35Å; D352-F354 CarbonylContact O-C 3.51Å; D352-F354 PolarHBondContact O-N 3.45Å; F354-D356 VanDerWaalsContact C-N 3.33Å; F354-D356 PolarHBondContact O-N 3.4Å; F354-G357 PolarHBondContact O-N 2.94Å; F354-G357 VanDerWaalsContact O-N 3.11Å; F354-I358 HydrophobicContact CE2-CD1 3.72Å; F354-I358 HydrophobicContact CE2-CG1 4.43Å; F354-I358 HydrophobicContact CZ-CB 4.4Å; F354-I358 HydrophobicContact CZ-CD1 4Å; F354-I358 PolarHBondContact O-N 2.87Å; F354-L386 HydrophobicContact CE2-CB 3.93Å; F354-L386 HydrophobicContact CZ-CB 4.1Å; F354-A390 HydrophobicContact CD2-CB 3.88Å; F354-A390 HydrophobicContact CE2-CB 4.17Å; F354-L400 HydrophobicContact CB-CD1 4.38Å; F354-L400 HydrophobicContact CB-CD2 4.25Å; F354-L400 HydrophobicContact CB-CG 3.96Å; F354-L400 HydrophobicContact CD2-CD1 4.41Å; F354-L400 HydrophobicContact CD2-CD2 4.38Å; F354-L402 HydrophobicContact CD1-CD1 3.87Å; F354-L402 HydrophobicContact CD2-CB 4.44Å; F354-L402 HydrophobicContact CD2-CD2 4.07Å; F354-L402 HydrophobicContact CE1-CD1 3.77Å; F354-L402 HydrophobicContact CE1-CD2 4.3Å; F354-L402 HydrophobicContact CE2-CD2 3.67Å; F354-L402 HydrophobicContact CG-CB 4.44Å; F354-L402 HydrophobicContact CG-CD1 4.28Å; F354-L402 HydrophobicContact CZ-CD1 4.12Å; F354-L402 HydrophobicContact CZ-CD2 3.79Å
355W97.9Very high97.3Very high28 Ų2827.1 Ų27.111%0.10614%0.143CC..Hα-helixtrans-70-25.1-170.8-66.2115.7000114.3L266 I268 L348 G350 T351 D352 G357 I358 P360 C363L266-W355 HydrophobicContact CB-CD2 4.44Å; L266-W355 HydrophobicContact CB-CG 4.24Å; L266-W355 HydrophobicContact CD2-CD2 4.1Å; L266-W355 HydrophobicContact CD2-CE3 4.45Å; L266-W355 HydrophobicContact CD2-CG 4.38Å; L266-W355 PolarHBondContact O-NE1 3.49Å; I268-W355 HydrophobicContact CD1-CH2 3.33Å; I268-W355 HydrophobicContact CD1-CZ2 4.29Å; I268-W355 HydrophobicContact CD1-CZ3 3.83Å; I268-W355 HydrophobicContact CG1-CH2 3.65Å; I268-W355 HydrophobicContact CG1-CZ2 4.16Å; I268-W355 HydrophobicContact CG2-CH2 4.45Å; L348-W355 HydrophobicContact CB-CH2 4.39Å; L348-W355 HydrophobicContact CB-CZ2 4.4Å; G350-W355 VanDerWaalsContact CA-NE1 3.34Å; G350-W355 VanDerWaalsContact O-CD1 3.24Å; G350-W355 PolarHBondContact O-NE1 3.05Å; G350-W355 VanDerWaalsContact O-NE1 3.08Å; T351-W355 VanDerWaalsContact O-CD1 3.24Å; T351-W355 PolarHBondContact O-N 3.08Å; D352-W355 PolarHBondContact O-N 3.34Å; W355-G357 PolarHBondContact O-N 3.38Å; W355-I358 CarbonylContact O-C 3.53Å; W355-I358 PolarHBondContact O-N 3.17Å; W355-P360 HydrophobicContact CE3-CG 4.08Å; W355-P360 HydrophobicContact CZ3-CB 4.37Å; W355-P360 HydrophobicContact CZ3-CG 4.01Å; W355-C363 HydrophobicContact CZ3-CB 4.29Å
356D95.7Very high97.3Very high124 Ų12428.3 Ų28.366%0.66315%0.149SC*.THydrogen-bonded Turntrans-66.1-28.4172.3-76.6-2.8000112.2D352 F354D352-D356 VanDerWaalsContact O-CB 3.27Å; D352-D356 WeakPolarHBondContact O-CB 3.45Å; D352-D356 VanDerWaalsContact O-CG 3.32Å; D352-D356 PolarHBondContact O-N 3.09Å; F354-D356 VanDerWaalsContact C-N 3.33Å; F354-D356 PolarHBondContact O-N 3.4Å
357G96.3Very high97.3Very high12 Ų1228.3 Ų28.312%0.12415%0.149CC..THydrogen-bonded Turntrans-87.9-21.3176.700000113.9F354 W355 G394F354-G357 PolarHBondContact O-N 2.94Å; F354-G357 VanDerWaalsContact O-N 3.11Å; W355-G357 PolarHBondContact O-N 3.38Å; G357-G394 WeakPolarHBondContact O-CA 3.29Å
358I97.2Very high97Very high3 Ų329.4 Ų29.42%0.01515%0.153CC..  trans-141.8119.1-172.7-59-172.1000110.9F354 W355 T362 C363 L366 L386 H389 A390F354-I358 HydrophobicContact CE2-CD1 3.72Å; F354-I358 HydrophobicContact CE2-CG1 4.43Å; F354-I358 HydrophobicContact CZ-CB 4.4Å; F354-I358 HydrophobicContact CZ-CD1 4Å; F354-I358 PolarHBondContact O-N 2.87Å; W355-I358 CarbonylContact O-C 3.53Å; W355-I358 PolarHBondContact O-N 3.17Å; I358-T362 HydrophobicContact CG2-CG2 4.28Å; I358-C363 HydrophobicContact CG2-CB 3.7Å; I358-L366 HydrophobicContact CD1-CD1 3.9Å; I358-L366 HydrophobicContact CG2-CD1 4.37Å; I358-L386 WeakPolarHBondContact CD1-O 3.18Å; I358-H389 HydrophobicContact CD1-CB 4.01Å; I358-A390 HydrophobicContact CD1-CB 3.77Å; I358-A390 HydrophobicContact CG1-CB 3.72Å
359S97.3Very high96.8Very high57 Ų5734.4 Ų34.440%0.39918%0.179SC..  trans-66.7145.4168.584.60000111.1K361 T362 C363S359-K361 PolarHBondContact O-N 3.3Å; S359-T362 CarbonylContact O-C 3.48Å; S359-T362 WeakPolarHBondContact O-CA 3.44Å; S359-T362 WeakPolarHBondContact O-CB 3.26Å; S359-T362 PolarHBondContact O-N 3.13Å; S359-T362 WeakPolarHBondContact OG-CB 3.39Å; S359-T362 PolarHBondContact OG-N 2.79Å; S359-T362 VanDerWaalsContact OG-N 3.11Å; S359-T362 PolarHBondContact OG-OG1 2.93Å; S359-C363 PolarHBondContact O-N 3.18Å
360P97.5Very high96.6Very high24 Ų2434.6 Ų34.616%0.15618%0.18CC..Hα-helixtrans-53.1-33.1177.4-32.739.1000114.7L266 I268 V276 F278 W355 C363 H364L266-P360 HydrophobicContact CD2-CG 4.03Å; I268-P360 HydrophobicContact CD1-CB 3.95Å; I268-P360 HydrophobicContact CG2-CB 4.44Å; V276-P360 HydrophobicContact CG1-CB 3.62Å; F278-P360 HydrophobicContact CE1-CB 4.44Å; F278-P360 HydrophobicContact CE1-CG 3.86Å; F278-P360 HydrophobicContact CE2-CB 4.5Å; F278-P360 HydrophobicContact CZ-CB 3.87Å; F278-P360 HydrophobicContact CZ-CG 3.67Å; W355-P360 HydrophobicContact CE3-CG 4.08Å; W355-P360 HydrophobicContact CZ3-CB 4.37Å; W355-P360 HydrophobicContact CZ3-CG 4.01Å; P360-C363 WeakPolarHBondContact O-CB 3.39Å; P360-C363 PolarHBondContact O-N 2.85Å; P360-H364 PolarHBondContact O-N 3.48Å
361K96.3Very high96.4Very high148 Ų14834.9 Ų34.964%0.64318%0.181SC*.Hα-helixtrans-68.7-44.1173.7-175.4177.7179.5179.30112.3S359 C363 H364 Q365S359-K361 PolarHBondContact O-N 3.3Å; K361-C363 VanDerWaalsContact C-N 3.28Å; K361-C363 PolarHBondContact O-N 2.8Å; K361-H364 WeakPolarHBondContact O-CB 3.25Å; K361-H364 PolarHBondContact O-N 2.69Å; K361-Q365 WeakPolarHBondContact O-CG 2.78Å; K361-Q365 PolarHBondContact O-N 2.79Å
362T96.4Very high96.1Very high45 Ų4537.7 Ų37.728%0.27621%0.205SC..Hα-helixtrans-62.7-38.7174.1-55.40000110.8I358 S359 H364 Q365 L366I358-T362 HydrophobicContact CG2-CG2 4.28Å; S359-T362 CarbonylContact O-C 3.48Å; S359-T362 WeakPolarHBondContact O-CA 3.44Å; S359-T362 WeakPolarHBondContact O-CB 3.26Å; S359-T362 PolarHBondContact O-N 3.13Å; S359-T362 WeakPolarHBondContact OG-CB 3.39Å; S359-T362 PolarHBondContact OG-N 2.79Å; S359-T362 VanDerWaalsContact OG-N 3.11Å; S359-T362 PolarHBondContact OG-OG1 2.93Å; T362-H364 VanDerWaalsContact C-N 3.33Å; T362-H364 PolarHBondContact O-N 2.81Å; T362-Q365 PolarHBondContact O-N 2.82Å; T362-L366 HydrophobicContact CG2-CD1 4.1Å; T362-L366 HydrophobicContact CG2-CG 4.38Å; T362-L366 WeakPolarHBondContact O-CG 2.98Å; T362-L366 PolarHBondContact O-N 3.07Å
363C97.7Very high95.9Very high0 Ų039.8 Ų39.80%022%0.222CC..Hα-helixtrans-57-46.4175.3-170.30000111.3L348 W355 I358 S359 P360 K361 Q365 L366 V367L348-C363 VanDerWaalsContact CD2-SG 3.53Å; W355-C363 HydrophobicContact CZ3-CB 4.29Å; I358-C363 HydrophobicContact CG2-CB 3.7Å; S359-C363 PolarHBondContact O-N 3.18Å; P360-C363 WeakPolarHBondContact O-CB 3.39Å; P360-C363 PolarHBondContact O-N 2.85Å; K361-C363 VanDerWaalsContact C-N 3.28Å; K361-C363 PolarHBondContact O-N 2.8Å; C363-Q365 PolarHBondContact O-N 2.94Å; C363-L366 PolarHBondContact O-N 3.04Å; C363-V367 WeakPolarHBondContact O-CG2 3.16Å; C363-V367 PolarHBondContact O-N 3.31Å
364H96.9Very high95.6Very high7 Ų740.5 Ų40.53%0.03223%0.229CC..Hα-helixtrans-57.5-49175.1-174.1-73.9000112L270 D271 G274 V276 P360 K361 T362 L366 V367 R368 F417L270-H364 HydrophobicContact CD1-CB 4.49Å; L270-H364 HydrophobicContact CD2-CB 4.27Å; D271-H364 PolarHBondContact O-CD2 3.45Å; D271-H364 PolarHBondContact O-NE2 2.94Å; G274-H364 WeakPolarHBondContact CA-CE1 3.5Å; G274-H364 VanDerWaalsContact CA-NE2 3.3Å; G274-H364 WeakPolarHBondContact CA-NE2 3.39Å; G274-H364 PolarHBondContact N-CE1 3.19Å; G274-H364 PolarHBondContact N-NE2 3.41Å; V276-H364 HydrophobicContact CG2-CB 4.16Å; P360-H364 PolarHBondContact O-N 3.48Å; K361-H364 WeakPolarHBondContact O-CB 3.25Å; K361-H364 PolarHBondContact O-N 2.69Å; T362-H364 VanDerWaalsContact C-N 3.33Å; T362-H364 PolarHBondContact O-N 2.81Å; H364-L366 VanDerWaalsContact C-N 3.29Å; H364-L366 PolarHBondContact O-N 2.88Å; H364-V367 WeakPolarHBondContact O-CB 3.37Å; H364-V367 PolarHBondContact O-N 2.87Å; H364-V367 VanDerWaalsContact O-N 3.14Å; H364-R368 WeakPolarHBondContact O-CG 3.42Å; H364-R368 PolarHBondContact O-N 3.29Å; H364-F417 AromaticContact NE2-CE1 3.84Å
365Q94.9Very high95.3Very high91 Ų9143.6 Ų43.643%0.42524%0.241SC..Hα-helixtrans-59.3-39.3178.8-67.8173.4-28.400112.3K361 T362 C363 R368 L369K361-Q365 WeakPolarHBondContact O-CG 2.78Å; K361-Q365 PolarHBondContact O-N 2.79Å; T362-Q365 PolarHBondContact O-N 2.82Å; C363-Q365 PolarHBondContact O-N 2.94Å; Q365-R368 WeakPolarHBondContact O-CB 2.97Å; Q365-R368 PolarHBondContact O-N 2.9Å; Q365-L369 WeakPolarHBondContact O-CG 3.34Å; Q365-L369 PolarHBondContact O-N 3.32Å
366L96.4Very high95Very high26 Ų2644.5 Ų44.514%0.13625%0.248CC..Hα-helixtrans-67.6-39.4176.6-68.7168.5000112.4I358 T362 C363 H364 R368 L369 F370 L386 H389I358-L366 HydrophobicContact CD1-CD1 3.9Å; I358-L366 HydrophobicContact CG2-CD1 4.37Å; T362-L366 HydrophobicContact CG2-CD1 4.1Å; T362-L366 HydrophobicContact CG2-CG 4.38Å; T362-L366 WeakPolarHBondContact O-CG 2.98Å; T362-L366 PolarHBondContact O-N 3.07Å; C363-L366 PolarHBondContact O-N 3.04Å; H364-L366 VanDerWaalsContact C-N 3.29Å; H364-L366 PolarHBondContact O-N 2.88Å; L366-R368 VanDerWaalsContact C-N 3.32Å; L366-R368 PolarHBondContact O-N 3.02Å; L366-L369 PolarHBondContact O-N 3.14Å; L366-F370 WeakPolarHBondContact O-CB 3.36Å; L366-F370 PolarHBondContact O-N 3.49Å; L366-L386 HydrophobicContact CB-CD2 3.66Å; L366-L386 HydrophobicContact CD1-CD2 4.17Å; L366-H389 HydrophobicContact CD1-CB 4Å; L366-H389 VanDerWaalsContact CD1-CD2 3.49Å; L366-H389 WeakPolarHBondContact CD1-CD2 3.36Å
367V96.7Very high94.8Very high0 Ų045.9 Ų45.90%025%0.248CC..Hα-helixtrans-59.6-45172.5173.70000110.2L270 L346 C363 H364 L369 F370 Y371 L382 L386 F417L270-V367 HydrophobicContact CD1-CG2 3.99Å; L346-V367 HydrophobicContact CD1-CG1 3.64Å; L346-V367 HydrophobicContact CD1-CG2 4.14Å; C363-V367 WeakPolarHBondContact O-CG2 3.16Å; C363-V367 PolarHBondContact O-N 3.31Å; H364-V367 WeakPolarHBondContact O-CB 3.37Å; H364-V367 PolarHBondContact O-N 2.87Å; H364-V367 VanDerWaalsContact O-N 3.14Å; V367-L369 PolarHBondContact O-N 2.86Å; V367-F370 WeakPolarHBondContact O-CB 3.46Å; V367-F370 PolarHBondContact O-N 2.88Å; V367-Y371 HydrophobicContact CG1-CD2 3.95Å; V367-Y371 HydrophobicContact CG1-CE2 3.8Å; V367-Y371 VanDerWaalsContact O-CD2 3.27Å; V367-Y371 WeakPolarHBondContact O-CD2 3.45Å; V367-Y371 PolarHBondContact O-N 3.18Å; V367-L382 HydrophobicContact CG1-CD2 4.33Å; V367-L382 HydrophobicContact CG2-CD1 4.12Å; V367-L382 HydrophobicContact CG2-CD2 4.25Å; V367-L386 HydrophobicContact CG2-CD1 4.27Å; V367-L386 HydrophobicContact CG2-CD2 4.38Å; V367-F417 HydrophobicContact CB-CE1 4.5Å; V367-F417 HydrophobicContact CG1-CD1 4.17Å; V367-F417 HydrophobicContact CG1-CD2 4.22Å; V367-F417 HydrophobicContact CG1-CE1 3.76Å; V367-F417 HydrophobicContact CG1-CE2 3.85Å; V367-F417 HydrophobicContact CG1-CG 4.39Å; V367-F417 HydrophobicContact CG1-CZ 3.61Å
368R93.2Very high94.5Very high23 Ų2352.1 Ų52.19%0.08727%0.274CS..Hα-helixtrans-58.9-49.3175.5-64.6-176.774.6152.91111.7H364 Q365 L366 F370 Y371 A372 F417 D421 L424H364-R368 WeakPolarHBondContact O-CG 3.42Å; H364-R368 PolarHBondContact O-N 3.29Å; Q365-R368 WeakPolarHBondContact O-CB 2.97Å; Q365-R368 PolarHBondContact O-N 2.9Å; L366-R368 VanDerWaalsContact C-N 3.32Å; L366-R368 PolarHBondContact O-N 3.02Å; R368-F370 VanDerWaalsContact C-N 3.3Å; R368-F370 PolarHBondContact O-N 2.83Å; R368-Y371 PolarHBondContact O-N 2.72Å; R368-A372 VanDerWaalsContact O-CB 3.25Å; R368-A372 WeakPolarHBondContact O-CB 3.24Å; R368-A372 PolarHBondContact O-N 3.35Å; R368-F417 HydrophobicContact CG-CD1 3.89Å; R368-F417 HydrophobicContact CG-CE1 4.07Å; R368-D421 PolarHBondContact NH2-O 3.01Å; R368-L424 PolarHBondContact NH1-OXT 2.83Å; R368-L424 PolarHBondContact NH2-OXT 3.43Å
369L93.8Very high94.2Very high104 Ų10455.2 Ų55.255%0.54531%0.307SS..Hα-helixtrans-62.5-36.9-180-72.6171.6000112.3Q365 L366 V367 S373Q365-L369 WeakPolarHBondContact O-CG 3.34Å; Q365-L369 PolarHBondContact O-N 3.32Å; L366-L369 PolarHBondContact O-N 3.14Å; V367-L369 PolarHBondContact O-N 2.86Å; L369-S373 VanDerWaalsContact O-CB 3.23Å; L369-S373 WeakPolarHBondContact O-CB 3.46Å; L369-S373 PolarHBondContact O-N 2.81Å; L369-S373 PolarHBondContact O-OG 3.48Å
370F95.7Very high93.9Very high5 Ų556 Ų562%0.02230%0.304CS..Hα-helixtrans-58-52176174.4-92.9000111.5L366 V367 R368 G374 R375 D376 E380 L382 V385L366-F370 WeakPolarHBondContact O-CB 3.36Å; L366-F370 PolarHBondContact O-N 3.49Å; V367-F370 WeakPolarHBondContact O-CB 3.46Å; V367-F370 PolarHBondContact O-N 2.88Å; R368-F370 VanDerWaalsContact C-N 3.3Å; R368-F370 PolarHBondContact O-N 2.83Å; F370-G374 PolarHBondContact O-N 3.17Å; F370-R375 HydrophobicContact CD2-CB 3.67Å; F370-R375 HydrophobicContact CD2-CG 4.44Å; F370-R375 HydrophobicContact CE2-CB 3.62Å; F370-R375 HydrophobicContact CG-CB 4.29Å; F370-R375 HydrophobicContact CZ-CB 4.21Å; F370-R375 PolarHBondContact O-N 3.15Å; F370-D376 HydrophobicContact CE1-CB 3.73Å; F370-D376 HydrophobicContact CZ-CB 4.17Å; F370-E380 HydrophobicContact CE2-CB 4.02Å; F370-E380 WeakPolarHBondContact CZ-O 3.42Å; F370-L382 HydrophobicContact CB-CD1 4Å; F370-L382 HydrophobicContact CD1-CB 4.39Å; F370-L382 HydrophobicContact CD1-CD1 3.86Å; F370-L382 HydrophobicContact CD2-CD1 4.15Å; F370-L382 HydrophobicContact CE1-CB 4.03Å; F370-L382 HydrophobicContact CE1-CD1 4.35Å; F370-L382 HydrophobicContact CE2-CB 4.43Å; F370-L382 HydrophobicContact CG-CD1 3.74Å; F370-L382 HydrophobicContact CZ-CB 4.06Å; F370-V385 HydrophobicContact CD2-CB 4.18Å; F370-V385 HydrophobicContact CD2-CG1 4.23Å; F370-V385 HydrophobicContact CD2-CG2 3.88Å; F370-V385 HydrophobicContact CE2-CB 4.47Å; F370-V385 HydrophobicContact CE2-CG2 3.86Å
371Y94.4Very high93.6Very high5 Ų558 Ų582%0.0231%0.313CS..Hα-helixtrans-70.7-45177.5-72.1-66.7000112.2V367 R368 S373 G374 D376 L382 Y406 V413 A414 F417 H418V367-Y371 HydrophobicContact CG1-CD2 3.95Å; V367-Y371 HydrophobicContact CG1-CE2 3.8Å; V367-Y371 VanDerWaalsContact O-CD2 3.27Å; V367-Y371 WeakPolarHBondContact O-CD2 3.45Å; V367-Y371 PolarHBondContact O-N 3.18Å; R368-Y371 PolarHBondContact O-N 2.72Å; Y371-S373 PolarHBondContact O-N 3.22Å; Y371-S373 VanDerWaalsContact O-N 3.15Å; Y371-G374 PolarHBondContact O-N 3.41Å; Y371-D376 HydrophobicContact CD1-CB 4.06Å; Y371-D376 HydrophobicContact CE1-CB 3.96Å; Y371-L382 HydrophobicContact CE2-CD2 4.42Å; Y371-Y406 WeakPolarHBondContact OH-CE1 3.3Å; Y371-V413 HydrophobicContact CE2-CG1 4Å; Y371-A414 HydrophobicContact CD1-CB 3.69Å; Y371-A414 HydrophobicContact CE1-CB 3.62Å; Y371-F417 HydrophobicContact CD2-CB 3.61Å; Y371-F417 AromaticContact CD2-CD2 3.83Å; Y371-F417 HydrophobicContact CD2-CD2 3.83Å; Y371-F417 AromaticContact CD2-CG 3.77Å; Y371-F417 HydrophobicContact CD2-CG 3.77Å; Y371-F417 HydrophobicContact CE2-CB 4.45Å; Y371-F417 AromaticContact CE2-CD2 3.86Å; Y371-F417 HydrophobicContact CE2-CD2 3.86Å; Y371-F417 HydrophobicContact CE2-CE2 4.47Å; Y371-F417 HydrophobicContact CE2-CG 4.29Å; Y371-F417 HydrophobicContact CG-CB 3.9Å; Y371-H418 PolarHBondContact O-CE1 3.04Å; Y371-H418 PolarHBondContact O-ND1 3.23Å
372A91.3Very high93.6Very high59 Ų5950.9 Ų50.949%0.48828%0.282SS..Hα-helixtrans-57.9-32.3179.300000112.9R368 G374R368-A372 VanDerWaalsContact O-CB 3.25Å; R368-A372 WeakPolarHBondContact O-CB 3.24Å; R368-A372 PolarHBondContact O-N 3.35Å; A372-G374 VanDerWaalsContact C-N 3.33Å
373S92Very high93.5Very high75 Ų7548.8 Ų48.852%0.52427%0.269SS..THydrogen-bonded Turntrans-84.1-4177.7-51.70000113.8L369 Y371 R375L369-S373 VanDerWaalsContact O-CB 3.23Å; L369-S373 WeakPolarHBondContact O-CB 3.46Å; L369-S373 PolarHBondContact O-N 2.81Å; L369-S373 PolarHBondContact O-OG 3.48Å; Y371-S373 PolarHBondContact O-N 3.22Å; Y371-S373 VanDerWaalsContact O-N 3.15Å; S373-R375 VanDerWaalsContact C-N 3.32Å; S373-R375 PolarHBondContact O-N 3.24Å
374G91.1Very high93.4Very high15 Ų1550.1 Ų50.116%0.15528%0.283CS..THydrogen-bonded Turntrans71.818.9179.700000115.1F370 Y371 A372 D376 K377 E378F370-G374 PolarHBondContact O-N 3.17Å; Y371-G374 PolarHBondContact O-N 3.41Å; A372-G374 VanDerWaalsContact C-N 3.33Å; G374-D376 PolarHBondContact O-N 2.98Å; G374-K377 WeakPolarHBondContact O-CB 3.43Å; G374-K377 PolarHBondContact O-N 2.86Å; G374-E378 PolarHBondContact O-N 2.94Å
375R92.3Very high93.4Very high65 Ų6550.5 Ų50.525%0.24529%0.286CS..THydrogen-bonded Turntrans-64.1-27.8-177.4-64.8-17972.6178.63.7112.8F370 S373 K377 E378 G379 E380 V385F370-R375 HydrophobicContact CD2-CB 3.67Å; F370-R375 HydrophobicContact CD2-CG 4.44Å; F370-R375 HydrophobicContact CE2-CB 3.62Å; F370-R375 HydrophobicContact CG-CB 4.29Å; F370-R375 HydrophobicContact CZ-CB 4.21Å; F370-R375 PolarHBondContact O-N 3.15Å; S373-R375 VanDerWaalsContact C-N 3.32Å; S373-R375 PolarHBondContact O-N 3.24Å; R375-K377 VanDerWaalsContact C-N 3.26Å; R375-K377 PolarHBondContact O-N 3.33Å; R375-E378 PolarHBondContact O-N 2.88Å; R375-G379 PolarHBondContact O-N 2.93Å; R375-E380 HydrophobicContact CB-CB 4.34Å; R375-E380 WeakPolarHBondContact CG-OE1 3.44Å; R375-E380 IonicContact CZ-OE1 2.84Å; R375-E380 IonicContact CZ-OE2 3.07Å; R375-E380 IonicContact NE-OE1 3.3Å; R375-E380 PolarHBondContact NE-OE1 3.45Å; R375-E380 IonicContact NE-OE2 3.35Å; R375-E380 IonicContact NH2-OE1 3.47Å; R375-E380 PolarHBondContact NH2-OE1 3.01Å; R375-E380 IonicContact NH2-OE2 3.45Å; R375-E380 PolarHBondContact NH2-OE2 3.29Å; R375-E380 PolarHBondContact O-N 2.73Å; R375-E380 VanDerWaalsContact O-N 3.17Å; R375-V385 VanDerWaalsContact CZ-CG2 3.42Å
376D92.4Very high93.5Very high47 Ų4746.1 Ų46.125%0.25127%0.265SS..THydrogen-bonded Turntrans-59.1-37.8171.767.8-54.7000112.1F370 Y371 G374 G379F370-D376 HydrophobicContact CE1-CB 3.73Å; F370-D376 HydrophobicContact CZ-CB 4.17Å; Y371-D376 HydrophobicContact CD1-CB 4.06Å; Y371-D376 HydrophobicContact CE1-CB 3.96Å; G374-D376 PolarHBondContact O-N 2.98Å; D376-G379 PolarHBondContact O-N 3.02Å
377K90.9Very high93.5Very high153 Ų15345 Ų4567%0.66526%0.26SS*.THydrogen-bonded Turntrans-77.5-23.9179-62.3167.7-168.2162.40112.3G374 R375 G379 H418G374-K377 WeakPolarHBondContact O-CB 3.43Å; G374-K377 PolarHBondContact O-N 2.86Å; R375-K377 VanDerWaalsContact C-N 3.26Å; R375-K377 PolarHBondContact O-N 3.33Å; K377-G379 PolarHBondContact O-N 3.36Å; K377-H418 PolarHBondContact NZ-NE2 3.03Å
378E91Very high93.5Very high143 Ų14350.6 Ų50.667%0.66829%0.286SS*.THydrogen-bonded Turntrans-76.4-7.5172.2-60.9-174.9177.300112.3G374 R375 E380G374-E378 PolarHBondContact O-N 2.94Å; R375-E378 PolarHBondContact O-N 2.88Å; E378-E380 HydrophobicContact CB-CG 4.49Å
379G89.1Confident93.7Very high68 Ų6851.6 Ų51.670%0.70129%0.292SS*.THydrogen-bonded Turntrans83.718.2178.300000113.7R375 D376 K377R375-G379 PolarHBondContact O-N 2.93Å; D376-G379 PolarHBondContact O-N 3.02Å; K377-G379 PolarHBondContact O-N 3.36Å
380E92.2Very high93.9Very high73 Ų7346.7 Ų46.734%0.34127%0.266SS..  trans-75.1149.1173.4-60.6-164.2-100.200111.5F370 R375 E378F370-E380 HydrophobicContact CE2-CB 4.02Å; F370-E380 WeakPolarHBondContact CZ-O 3.42Å; R375-E380 HydrophobicContact CB-CB 4.34Å; R375-E380 WeakPolarHBondContact CG-OE1 3.44Å; R375-E380 IonicContact CZ-OE1 2.84Å; R375-E380 IonicContact CZ-OE2 3.07Å; R375-E380 IonicContact NE-OE1 3.3Å; R375-E380 PolarHBondContact NE-OE1 3.45Å; R375-E380 IonicContact NE-OE2 3.35Å; R375-E380 IonicContact NH2-OE1 3.47Å; R375-E380 PolarHBondContact NH2-OE1 3.01Å; R375-E380 IonicContact NH2-OE2 3.45Å; R375-E380 PolarHBondContact NH2-OE2 3.29Å; R375-E380 PolarHBondContact O-N 2.73Å; R375-E380 VanDerWaalsContact O-N 3.17Å; E378-E380 HydrophobicContact CB-CG 4.49Å
381D91.7Very high93.9Very high65 Ų6548.6 Ų48.635%0.34828%0.276SS..  trans-93.5125.9179.3-179.695.3000109.3E146 C383 G384 V385E146-D381 WeakPolarHBondContact CB-OD1 3.42Å; E146-D381 VanDerWaalsContact CD-CG 3.49Å; E146-D381 WeakPolarHBondContact CG-OD1 3.45Å; E146-D381 VanDerWaalsContact OE2-CG 3.23Å; D381-C383 VanDerWaalsContact C-N 3.29Å; D381-C383 PolarHBondContact O-N 2.93Å; D381-C383 WeakPolarHBondContact OD2-CA 3.41Å; D381-C383 WeakPolarHBondContact OD2-CB 3.4Å; D381-C383 PolarHBondContact OD2-N 3.46Å; D381-G384 PolarHBondContact O-N 2.9Å; D381-G384 PolarHBondContact OD2-N 3.31Å; D381-V385 WeakPolarHBondContact O-CG2 3.26Å; D381-V385 PolarHBondContact O-N 2.94Å; D381-V385 VanDerWaalsContact O-N 3.08Å
382L95.9Very high94Very high0 Ų052.2 Ų52.20%030%0.302CS..Hα-helixtrans-63-41.1-176.9172.859.9000110.4E146 L346 V367 F370 Y371 G384 V385 L386 V404E146-L382 WeakPolarHBondContact OE2-CB 3.33Å; E146-L382 PolarHBondContact OE2-N 2.99Å; L346-L382 HydrophobicContact CD1-CD2 3.76Å; V367-L382 HydrophobicContact CG1-CD2 4.33Å; V367-L382 HydrophobicContact CG2-CD1 4.12Å; V367-L382 HydrophobicContact CG2-CD2 4.25Å; F370-L382 HydrophobicContact CB-CD1 4Å; F370-L382 HydrophobicContact CD1-CB 4.39Å; F370-L382 HydrophobicContact CD1-CD1 3.86Å; F370-L382 HydrophobicContact CD2-CD1 4.15Å; F370-L382 HydrophobicContact CE1-CB 4.03Å; F370-L382 HydrophobicContact CE1-CD1 4.35Å; F370-L382 HydrophobicContact CE2-CB 4.43Å; F370-L382 HydrophobicContact CG-CD1 3.74Å; F370-L382 HydrophobicContact CZ-CB 4.06Å; Y371-L382 HydrophobicContact CE2-CD2 4.42Å; L382-G384 VanDerWaalsContact C-N 3.33Å; L382-G384 PolarHBondContact O-N 3.49Å; L382-V385 PolarHBondContact O-N 3.37Å; L382-L386 HydrophobicContact CD1-CD1 4.09Å; L382-L386 HydrophobicContact CD1-CD2 4.48Å; L382-L386 HydrophobicContact CD1-CG 4.02Å; L382-L386 HydrophobicContact CG-CD1 4.09Å; L382-L386 HydrophobicContact CG-CG 4.44Å; L382-L386 WeakPolarHBondContact O-CG 3.34Å; L382-L386 PolarHBondContact O-N 3.23Å; L382-V404 HydrophobicContact CD2-CG1 4.11Å
383C94.2Very high94.3Very high0 Ų055.1 Ų55.10%031%0.309CS..Hα-helixtrans-60.5-42.6178.5-161.70000111.6E146 V148 D381 L386 A387 L402 V404E146-C383 HydrophobicContact CB-CB 3.55Å; E146-C383 PolarHBondContact OE2-N 3.39Å; E146-C383 VanDerWaalsContact OE2-N 3.07Å; V148-C383 HydrophobicContact CG1-CB 4.23Å; V148-C383 VanDerWaalsContact CG2-SG 3.55Å; D381-C383 VanDerWaalsContact C-N 3.29Å; D381-C383 PolarHBondContact O-N 2.93Å; D381-C383 WeakPolarHBondContact OD2-CA 3.41Å; D381-C383 WeakPolarHBondContact OD2-CB 3.4Å; D381-C383 PolarHBondContact OD2-N 3.46Å; C383-L386 PolarHBondContact O-N 2.91Å; C383-A387 WeakPolarHBondContact O-CB 3.33Å; C383-A387 PolarHBondContact O-N 3.1Å; C383-L402 PolarHBondContact SG-O 3.15Å; C383-V404 HydrophobicContact CB-CB 4.32Å; C383-V404 HydrophobicContact CB-CG2 3.84Å
384G95.3Very high94.5Very high28 Ų2853.1 Ų53.129%0.28930%0.3SS..Hα-helixtrans-60.7-44.8173.400000113.7D381 L382 A387 E388D381-G384 PolarHBondContact O-N 2.9Å; D381-G384 PolarHBondContact OD2-N 3.31Å; L382-G384 VanDerWaalsContact C-N 3.33Å; L382-G384 PolarHBondContact O-N 3.49Å; G384-A387 PolarHBondContact O-N 3.33Å; G384-E388 WeakPolarHBondContact O-CB 3.43Å; G384-E388 PolarHBondContact O-N 3.01Å
385V96.5Very high94.8Very high15 Ų1554.9 Ų54.99%0.09132%0.318CS..Hα-helixtrans-63.5-44.3178.2170.40000112F370 R375 D381 L382 E388 H389F370-V385 HydrophobicContact CD2-CB 4.18Å; F370-V385 HydrophobicContact CD2-CG1 4.23Å; F370-V385 HydrophobicContact CD2-CG2 3.88Å; F370-V385 HydrophobicContact CE2-CB 4.47Å; F370-V385 HydrophobicContact CE2-CG2 3.86Å; R375-V385 VanDerWaalsContact CZ-CG2 3.42Å; D381-V385 WeakPolarHBondContact O-CG2 3.26Å; D381-V385 PolarHBondContact O-N 2.94Å; D381-V385 VanDerWaalsContact O-N 3.08Å; L382-V385 PolarHBondContact O-N 3.37Å; V385-E388 PolarHBondContact O-N 3.11Å; V385-H389 PolarHBondContact O-N 3.48Å; V385-H389 VanDerWaalsContact O-N 3.14Å
386L98.1Very high95Very high0 Ų052.1 Ų52.10%031%0.309CS..Hα-helixtrans-64.3-45.4178-67.4175.7000110.8L348 F354 I358 L366 V367 L382 C383 E388 H389 A390 L402 V404L348-L386 HydrophobicContact CD2-CD1 3.85Å; F354-L386 HydrophobicContact CE2-CB 3.93Å; F354-L386 HydrophobicContact CZ-CB 4.1Å; I358-L386 WeakPolarHBondContact CD1-O 3.18Å; L366-L386 HydrophobicContact CB-CD2 3.66Å; L366-L386 HydrophobicContact CD1-CD2 4.17Å; V367-L386 HydrophobicContact CG2-CD1 4.27Å; V367-L386 HydrophobicContact CG2-CD2 4.38Å; L382-L386 HydrophobicContact CD1-CD1 4.09Å; L382-L386 HydrophobicContact CD1-CD2 4.48Å; L382-L386 HydrophobicContact CD1-CG 4.02Å; L382-L386 HydrophobicContact CG-CD1 4.09Å; L382-L386 HydrophobicContact CG-CG 4.44Å; L382-L386 WeakPolarHBondContact O-CG 3.34Å; L382-L386 PolarHBondContact O-N 3.23Å; C383-L386 PolarHBondContact O-N 2.91Å; L386-E388 PolarHBondContact O-N 3.2Å; L386-H389 PolarHBondContact O-N 3.3Å; L386-A390 PolarHBondContact O-N 2.89Å; L386-L402 HydrophobicContact CB-CD2 3.89Å; L386-L402 HydrophobicContact CD1-CD2 4.22Å; L386-V404 HydrophobicContact CD1-CG2 4.26Å
387A96.6Very high95.1Very high2 Ų253.4 Ų53.42%0.01732%0.319CS..Hα-helixtrans-64.4-38.7178.400000112.8V148 F150 C383 G384 H389 A390 I391 L400V148-A387 HydrophobicContact CG2-CB 3.65Å; F150-A387 HydrophobicContact CE1-CB 4.07Å; F150-A387 HydrophobicContact CZ-CB 4.08Å; C383-A387 WeakPolarHBondContact O-CB 3.33Å; C383-A387 PolarHBondContact O-N 3.1Å; G384-A387 PolarHBondContact O-N 3.33Å; A387-H389 VanDerWaalsContact C-N 3.32Å; A387-H389 PolarHBondContact O-N 3.17Å; A387-A390 PolarHBondContact O-N 3.41Å; A387-I391 WeakPolarHBondContact O-CG1 3.44Å; A387-I391 PolarHBondContact O-N 2.85Å; A387-L400 HydrophobicContact CB-CD1 4.48Å; A387-L400 HydrophobicContact CB-CD2 3.84Å
388E96.4Very high95.4Very high117 Ų11747.2 Ų47.255%0.54729%0.293SS..Hα-helixtrans-61.9-40.2175.2-177.4174.3-161.200112G384 V385 L386 I391 S392G384-E388 WeakPolarHBondContact O-CB 3.43Å; G384-E388 PolarHBondContact O-N 3.01Å; V385-E388 PolarHBondContact O-N 3.11Å; L386-E388 PolarHBondContact O-N 3.2Å; E388-I391 PolarHBondContact O-N 2.95Å; E388-S392 VanDerWaalsContact O-CB 3.29Å; E388-S392 WeakPolarHBondContact O-CB 3.23Å; E388-S392 PolarHBondContact O-N 2.98Å; E388-S392 PolarHBondContact O-OG 2.85Å
389H97.5Very high95.6Very high45 Ų4540.6 Ų40.621%0.20826%0.262CS..Hα-helixtrans-65.3-41.4176.1-169.897.4000111.8I358 L366 V385 L386 A387 I391 S392 N393 G394I358-H389 HydrophobicContact CD1-CB 4.01Å; L366-H389 HydrophobicContact CD1-CB 4Å; L366-H389 VanDerWaalsContact CD1-CD2 3.49Å; L366-H389 WeakPolarHBondContact CD1-CD2 3.36Å; V385-H389 PolarHBondContact O-N 3.48Å; V385-H389 VanDerWaalsContact O-N 3.14Å; L386-H389 PolarHBondContact O-N 3.3Å; A387-H389 VanDerWaalsContact C-N 3.32Å; A387-H389 PolarHBondContact O-N 3.17Å; H389-I391 PolarHBondContact O-N 3.5Å; H389-S392 PolarHBondContact O-N 3.43Å; H389-N393 WeakPolarHBondContact O-CA 3.45Å; H389-N393 WeakPolarHBondContact O-CB 3.38Å; H389-N393 PolarHBondContact O-N 2.91Å; H389-G394 PolarHBondContact O-N 3.15Å
390A97.2Very high96Very high0 Ų037.4 Ų37.40%023%0.229CC..Hα-helixtrans-58.6-36.6178.700000111.8F354 I358 L386 A387 G394 G395 S396 L400F354-A390 HydrophobicContact CD2-CB 3.88Å; F354-A390 HydrophobicContact CE2-CB 4.17Å; I358-A390 HydrophobicContact CD1-CB 3.77Å; I358-A390 HydrophobicContact CG1-CB 3.72Å; L386-A390 PolarHBondContact O-N 2.89Å; A387-A390 PolarHBondContact O-N 3.41Å; A390-G394 CarbonylContact O-C 3.43Å; A390-G394 VanDerWaalsContact O-C 3.31Å; A390-G394 VanDerWaalsContact O-CA 3.24Å; A390-G394 WeakPolarHBondContact O-CA 3.34Å; A390-G394 PolarHBondContact O-N 2.81Å; A390-G395 PolarHBondContact O-N 2.83Å; A390-S396 VanDerWaalsContact O-CB 3.3Å; A390-S396 WeakPolarHBondContact O-CB 3.45Å; A390-S396 PolarHBondContact O-N 3.22Å; A390-L400 HydrophobicContact CB-CD1 3.98Å
391I96.4Very high96.3Very high45 Ų4533.9 Ų33.923%0.23121%0.213CC..Hα-helixtrans-79.3-56.5177.1-57.6167.5000111.2F150 A387 E388 H389 G395 L400F150-I391 HydrophobicContact CE2-CD1 3.4Å; F150-I391 VanDerWaalsContact CE2-CD1 3.4Å; F150-I391 HydrophobicContact CE2-CG1 4.33Å; F150-I391 HydrophobicContact CZ-CD1 3.57Å; F150-I391 HydrophobicContact CZ-CG1 4.48Å; A387-I391 WeakPolarHBondContact O-CG1 3.44Å; A387-I391 PolarHBondContact O-N 2.85Å; E388-I391 PolarHBondContact O-N 2.95Å; H389-I391 PolarHBondContact O-N 3.5Å; I391-G395 WeakPolarHBondContact O-CA 3.37Å; I391-G395 PolarHBondContact O-N 3.33Å; I391-G395 VanDerWaalsContact O-N 3.14Å; I391-L400 HydrophobicContact CG1-CD1 4.2Å
392S96.6Very high96.6Very high82 Ų8230.8 Ų30.857%0.57320%0.196SC*.Hα-helixtrans-78.5-34.3-165-55.10000112.9E388 H389E388-S392 VanDerWaalsContact O-CB 3.29Å; E388-S392 WeakPolarHBondContact O-CB 3.23Å; E388-S392 PolarHBondContact O-N 2.98Å; E388-S392 PolarHBondContact O-OG 2.85Å; H389-S392 PolarHBondContact O-N 3.43Å
393N97.2Very high96.7Very high119 Ų11930.8 Ų30.864%0.63620%0.196SC*.THydrogen-bonded Turntrans-106.9-37.7-178.7-63.579.3000111.6H389H389-N393 WeakPolarHBondContact O-CA 3.45Å; H389-N393 WeakPolarHBondContact O-CB 3.38Å; H389-N393 PolarHBondContact O-N 2.91Å
394G96.8Very high96.9Very high33 Ų3330.8 Ų30.834%0.3420%0.196SC..THydrogen-bonded Turntrans-79.8-21178.800000114.6G357 H389 A390 S396G357-G394 WeakPolarHBondContact O-CA 3.29Å; H389-G394 PolarHBondContact O-N 3.15Å; A390-G394 CarbonylContact O-C 3.43Å; A390-G394 VanDerWaalsContact O-C 3.31Å; A390-G394 VanDerWaalsContact O-CA 3.24Å; A390-G394 WeakPolarHBondContact O-CA 3.34Å; A390-G394 PolarHBondContact O-N 2.81Å; G394-S396 VanDerWaalsContact C-N 3.34Å
395G96.6Very high97Very high52 Ų5229.5 Ų29.554%0.53618%0.183SC..  trans76.817.3-18000000114.4A390 I391 T397A390-G395 PolarHBondContact O-N 2.83Å; I391-G395 WeakPolarHBondContact O-CA 3.37Å; I391-G395 PolarHBondContact O-N 3.33Å; I391-G395 VanDerWaalsContact O-N 3.14Å; G395-T397 PolarHBondContact O-N 3.13Å
396S96Very high97Very high8 Ų829 Ų296%0.05618%0.179CC..  trans-58.8130.1175.6173.70000111.3N152 G353 A390 G394N152-S396 PolarHBondContact ND2-O 2.94Å; G353-S396 VanDerWaalsContact O-CB 3.22Å; G353-S396 WeakPolarHBondContact O-CB 3.41Å; G353-S396 PolarHBondContact O-OG 2.91Å; A390-S396 VanDerWaalsContact O-CB 3.3Å; A390-S396 WeakPolarHBondContact O-CB 3.45Å; A390-S396 PolarHBondContact O-N 3.22Å; G394-S396 VanDerWaalsContact C-N 3.34Å
397T95.3Very high96.9Very high73 Ų7329.4 Ų29.445%0.44818%0.181SC..  trans-115.7-4.9176.262.10000113.1N152 Q153 G395N152-T397 VanDerWaalsContact ND2-C 3.28Å; N152-T397 VanDerWaalsContact ND2-CA 3.35Å; N152-T397 WeakPolarHBondContact ND2-CA 3.4Å; Q153-T397 PolarHBondContact N-O 3.33Å; G395-T397 PolarHBondContact O-N 3.13Å
398D96.2Very high96.7Very high24 Ų2431.8 Ų31.813%0.12819%0.192CC..SBendtrans-85.5167.5-174.9-144.5-14.8000113.8N152 R154 L400N152-D398 WeakPolarHBondContact CB-O 3.45Å; N152-D398 PolarHBondContact ND2-O 2.91Å; N152-D398 VanDerWaalsContact ND2-O 3.1Å; R154-D398 VanDerWaalsContact CG-OD1 3.3Å; R154-D398 WeakPolarHBondContact CG-OD1 3.22Å; R154-D398 IonicContact CZ-OD1 2.61Å; R154-D398 VanDerWaalsContact CZ-OD1 3.28Å; R154-D398 IonicContact CZ-OD2 2.68Å; R154-D398 VanDerWaalsContact NE-CG 3.33Å; R154-D398 IonicContact NE-OD1 2.78Å; R154-D398 PolarHBondContact NE-OD1 3.19Å; R154-D398 IonicContact NE-OD2 3.42Å; R154-D398 VanDerWaalsContact NH2-CG 3.26Å; R154-D398 IonicContact NH2-OD1 3.52Å; R154-D398 PolarHBondContact NH2-OD1 3.33Å; R154-D398 IonicContact NH2-OD2 3.48Å; R154-D398 PolarHBondContact NH2-OD2 2.8Å; D398-L400 PolarHBondContact O-N 2.87Å
399N96.5Very high96.4Very high4 Ų431.6 Ų31.62%0.02120%0.195CC..  trans-49.9135.5160.4-63.4164.5000109.1K151 R154 R156 N157 E158 D159 G353K151-N399 WeakPolarHBondContact CA-ND2 3.34Å; K151-N399 PolarHBondContact O-ND2 3.48Å; R154-N399 WeakPolarHBondContact CB-ND2 3.22Å; R156-N399 PolarHBondContact O-ND2 3.49Å; R156-N399 PolarHBondContact O-OD1 3.35Å; R156-N399 VanDerWaalsContact O-OD1 3.13Å; N157-N399 WeakPolarHBondContact CA-OD1 3.46Å; N157-N399 WeakPolarHBondContact OD1-CB 3.49Å; N157-N399 VanDerWaalsContact OD1-CG 3.31Å; N157-N399 PolarHBondContact OD1-ND2 2.94Å; E158-N399 PolarHBondContact N-OD1 3.11Å; D159-N399 HydrophobicContact CB-CB 4.15Å; D159-N399 WeakPolarHBondContact OD1-CB 3.48Å; G353-N399 WeakPolarHBondContact CA-O 3.28Å
400L96.7Very high96Very high0 Ų033.5 Ų33.50%020%0.202CC..EExtended strand (participates in β ladder)trans-133.1122.7-171.6-173161.7000108.4V148 S149 F150 D159 G353 F354 A387 A390 I391 D398 L402V148-L400 HydrophobicContact CG2-CD2 4.21Å; S149-L400 CarbonylContact C-O 3.51Å; S149-L400 VanDerWaalsContact CA-O 3.26Å; S149-L400 WeakPolarHBondContact CA-O 3.46Å; F150-L400 HydrophobicContact CE1-CD2 4.01Å; F150-L400 HydrophobicContact CE2-CB 3.93Å; F150-L400 HydrophobicContact CE2-CD1 4.4Å; F150-L400 HydrophobicContact CZ-CB 3.99Å; F150-L400 HydrophobicContact CZ-CD1 4.01Å; F150-L400 HydrophobicContact CZ-CD2 3.79Å; F150-L400 HydrophobicContact CZ-CG 4.14Å; F150-L400 PolarHBondContact N-O 2.86Å; F150-L400 PolarHBondContact O-N 3.4Å; D159-L400 VanDerWaalsContact OD2-C 3.31Å; D159-L400 PolarHBondContact OD2-N 3.09Å; G353-L400 WeakPolarHBondContact O-CD1 3.48Å; F354-L400 HydrophobicContact CB-CD1 4.38Å; F354-L400 HydrophobicContact CB-CD2 4.25Å; F354-L400 HydrophobicContact CB-CG 3.96Å; F354-L400 HydrophobicContact CD2-CD1 4.41Å; F354-L400 HydrophobicContact CD2-CD2 4.38Å; A387-L400 HydrophobicContact CB-CD1 4.48Å; A387-L400 HydrophobicContact CB-CD2 3.84Å; A390-L400 HydrophobicContact CB-CD1 3.98Å; I391-L400 HydrophobicContact CG1-CD1 4.2Å; D398-L400 PolarHBondContact O-N 2.87Å; L400-L402 HydrophobicContact CD2-CB 4.46Å
401T97.6Very high95.7Very high0 Ų037.1 Ų37.10%023%0.228CC..EExtended strand (participates in β ladder)trans-129.1130.1171.8-620000110.1V148 S149 D159 Y161 V186 G350 T351V148-T401 CarbonylContact O-C 3.53Å; V148-T401 WeakPolarHBondContact O-CA 3.28Å; S149-T401 WeakPolarHBondContact CB-OG1 3.42Å; S149-T401 PolarHBondContact OG-OG1 3.46Å; D159-T401 WeakPolarHBondContact CB-OG1 3.37Å; D159-T401 VanDerWaalsContact OD2-CB 3.28Å; D159-T401 WeakPolarHBondContact OD2-CB 3.26Å; D159-T401 PolarHBondContact OD2-N 3.44Å; D159-T401 VanDerWaalsContact OD2-N 3.08Å; D159-T401 PolarHBondContact OD2-OG1 3.43Å; Y161-T401 HydrophobicContact CD1-CG2 4.47Å; V186-T401 HydrophobicContact CB-CG2 4.29Å; V186-T401 HydrophobicContact CG1-CG2 3.73Å; G350-T401 VanDerWaalsContact CA-O 3.28Å; G350-T401 WeakPolarHBondContact CA-O 3.4Å; T351-T401 PolarHBondContact N-O 3.08Å; T351-T401 PolarHBondContact OG1-N 3.24Å; T351-T401 PolarHBondContact OG1-O 2.89Å
402L98.4Very high95.5Very high0 Ų037 Ų370%023%0.231CC..EExtended strand (participates in β ladder)trans-137135.8176175.869.5000109.4V147 V148 L348 L349 F354 C383 L386 L400 V404V147-L402 WeakPolarHBondContact CA-O 3.27Å; V148-L402 HydrophobicContact CG2-CB 3.87Å; V148-L402 PolarHBondContact N-O 2.86Å; V148-L402 PolarHBondContact O-N 2.84Å; L348-L402 HydrophobicContact CB-CD1 4.33Å; L348-L402 HydrophobicContact CD2-CD1 4.38Å; L349-L402 CarbonylContact O-C 3.45Å; L349-L402 WeakPolarHBondContact O-CA 3.25Å; F354-L402 HydrophobicContact CD1-CD1 3.87Å; F354-L402 HydrophobicContact CD2-CB 4.44Å; F354-L402 HydrophobicContact CD2-CD2 4.07Å; F354-L402 HydrophobicContact CE1-CD1 3.77Å; F354-L402 HydrophobicContact CE1-CD2 4.3Å; F354-L402 HydrophobicContact CE2-CD2 3.67Å; F354-L402 HydrophobicContact CG-CB 4.44Å; F354-L402 HydrophobicContact CG-CD1 4.28Å; F354-L402 HydrophobicContact CZ-CD1 4.12Å; F354-L402 HydrophobicContact CZ-CD2 3.79Å; C383-L402 PolarHBondContact SG-O 3.15Å; L386-L402 HydrophobicContact CB-CD2 3.89Å; L386-L402 HydrophobicContact CD1-CD2 4.22Å; L400-L402 HydrophobicContact CD2-CB 4.46Å; L402-V404 HydrophobicContact CD2-CG2 4.09Å; L402-V404 HydrophobicContact CG-CG2 4.18Å
403I98.5Very high95.3Very high0 Ų033.1 Ų33.10%020%0.204CC..EExtended strand (participates in β ladder)trans-118.9122.8168.6-50.8177.6000107.6E146 V147 V163 F184 V186 L348 L349 I405E146-I403 WeakPolarHBondContact O-CA 3.31Å; V147-I403 HydrophobicContact CG1-CG1 4.23Å; V147-I403 HydrophobicContact CG2-CG1 4.2Å; V147-I403 HydrophobicContact CG2-CG2 4.11Å; V163-I403 HydrophobicContact CG2-CD1 4.04Å; F184-I403 HydrophobicContact CB-CD1 4.47Å; F184-I403 HydrophobicContact CD1-CG2 4.07Å; V186-I403 HydrophobicContact CG1-CD1 3.7Å; V186-I403 HydrophobicContact CG1-CG1 3.86Å; L348-I403 WeakPolarHBondContact CA-O 3.44Å; L349-I403 HydrophobicContact CB-CB 4.42Å; L349-I403 PolarHBondContact N-O 3.42Å; L349-I403 PolarHBondContact O-N 3.33Å; I403-I405 HydrophobicContact CB-CD1 4.12Å; I403-I405 HydrophobicContact CG2-CD1 3.45Å; I403-I405 VanDerWaalsContact CG2-CD1 3.45Å; I403-I405 HydrophobicContact CG2-CG1 3.82Å
404V98.4Very high95.1Very high0 Ų027.7 Ų27.70%018%0.176CC..EExtended strand (participates in β ladder)trans-104.3118.9170.1178.60000108F145 E146 L346 L348 L382 C383 L386 L402 Y406F145-V404 CarbonylContact C-O 3.4Å; F145-V404 WeakPolarHBondContact CA-O 3.35Å; F145-V404 WeakPolarHBondContact CB-O 3.3Å; E146-V404 HydrophobicContact CB-CB 4.49Å; E146-V404 PolarHBondContact N-O 3.26Å; E146-V404 PolarHBondContact O-N 3.36Å; L346-V404 HydrophobicContact CD2-CG1 4.07Å; L348-V404 HydrophobicContact CD2-CG2 4.21Å; L348-V404 HydrophobicContact CG-CG2 4.2Å; L382-V404 HydrophobicContact CD2-CG1 4.11Å; C383-V404 HydrophobicContact CB-CB 4.32Å; C383-V404 HydrophobicContact CB-CG2 3.84Å; L386-V404 HydrophobicContact CD1-CG2 4.26Å; L402-V404 HydrophobicContact CD2-CG2 4.09Å; L402-V404 HydrophobicContact CG-CG2 4.18Å; V404-Y406 HydrophobicContact CG1-CE2 4.27Å
405I98Very high94.8Very high0 Ų031.2 Ų31.20%019%0.186CC..EExtended strand (participates in β ladder)trans-110.5129.4178.6-58.6100000109.3P143 F145 F184 L346 L347 L349 I403 L407P143-I405 HydrophobicContact CB-CG2 3.4Å; P143-I405 VanDerWaalsContact CB-CG2 3.4Å; P143-I405 HydrophobicContact CG-CG2 4.21Å; F145-I405 HydrophobicContact CB-CG1 4.11Å; F184-I405 HydrophobicContact CB-CD1 4.32Å; F184-I405 HydrophobicContact CD1-CD1 4.11Å; F184-I405 HydrophobicContact CD1-CG1 3.71Å; F184-I405 HydrophobicContact CD2-CD1 4.41Å; F184-I405 HydrophobicContact CD2-CG1 4.09Å; F184-I405 HydrophobicContact CE1-CG1 3.7Å; F184-I405 HydrophobicContact CE2-CG1 4.05Å; F184-I405 HydrophobicContact CE2-CG2 4.1Å; F184-I405 HydrophobicContact CG-CD1 4.03Å; F184-I405 HydrophobicContact CG-CG1 3.92Å; F184-I405 HydrophobicContact CZ-CG1 3.88Å; F184-I405 HydrophobicContact CZ-CG2 4.03Å; L346-I405 CarbonylContact C-O 3.31Å; L346-I405 WeakPolarHBondContact CA-O 3.23Å; L347-I405 HydrophobicContact CB-CB 4.15Å; L347-I405 HydrophobicContact CD2-CD1 4.19Å; L347-I405 HydrophobicContact CG-CD1 4.03Å; L347-I405 PolarHBondContact N-O 3.3Å; L347-I405 WeakPolarHBondContact O-CD1 3.42Å; L347-I405 PolarHBondContact O-N 3.04Å; L349-I405 HydrophobicContact CD1-CD1 3.63Å; I403-I405 HydrophobicContact CB-CD1 4.12Å; I403-I405 HydrophobicContact CG2-CD1 3.45Å; I403-I405 VanDerWaalsContact CG2-CD1 3.45Å; I403-I405 HydrophobicContact CG2-CG1 3.82Å; I405-L407 HydrophobicContact CG2-CD2 4.4Å
406Y96.3Very high94.6Very high6 Ų631.6 Ų31.62%0.02418%0.176CC..EExtended strand (participates in β ladder)trans-88.4111.7177.3-63.8-96.8000109.4P143 T144 E146 L346 Y371 V404 Q408 K410 V413P143-Y406 WeakPolarHBondContact CB-O 3.13Å; T144-Y406 WeakPolarHBondContact O-CD2 3.43Å; T144-Y406 PolarHBondContact O-N 2.63Å; T144-Y406 WeakPolarHBondContact OG1-CB 3.29Å; T144-Y406 WeakPolarHBondContact OG1-CD2 3.3Å; E146-Y406 VanDerWaalsContact CD-OH 3.31Å; E146-Y406 HydrophobicContact CG-CE2 4.08Å; E146-Y406 PolarHBondContact OE1-OH 2.98Å; E146-Y406 PolarHBondContact OE2-OH 2.99Å; L346-Y406 HydrophobicContact CD2-CD1 3.51Å; L346-Y406 HydrophobicContact CD2-CE1 3.7Å; L346-Y406 HydrophobicContact CD2-CG 4.07Å; Y371-Y406 WeakPolarHBondContact OH-CE1 3.3Å; V404-Y406 HydrophobicContact CG1-CE2 4.27Å; Y406-Q408 WeakPolarHBondContact CB-O 3.37Å; Y406-Q408 PolarHBondContact O-N 2.98Å; Y406-K410 HydrophobicContact CD1-CB 4.4Å; Y406-K410 HydrophobicContact CD1-CD 4.4Å; Y406-K410 HydrophobicContact CD1-CG 3.74Å; Y406-K410 HydrophobicContact CD2-CD 4.4Å; Y406-K410 HydrophobicContact CD2-CG 4.22Å; Y406-K410 HydrophobicContact CE1-CD 4.12Å; Y406-K410 HydrophobicContact CE1-CG 3.91Å; Y406-K410 HydrophobicContact CE2-CD 4.14Å; Y406-K410 HydrophobicContact CE2-CG 4.39Å; Y406-K410 HydrophobicContact CG-CG 3.91Å; Y406-V413 HydrophobicContact CD1-CB 4.39Å; Y406-V413 HydrophobicContact CD1-CG1 4.48Å; Y406-V413 HydrophobicContact CD1-CG2 4.15Å
407L95.9Very high94.3Very high8 Ų831.4 Ų31.44%0.04217%0.174CC..SBendtrans-81.2-2-179.8-61.8177000112.7V252 I257 I269 R340 H344 C345 L347 I405V252-L407 HydrophobicContact CG1-CD2 4Å; I257-L407 HydrophobicContact CD1-CD1 3.75Å; I257-L407 HydrophobicContact CD1-CD2 3.88Å; I257-L407 HydrophobicContact CD1-CG 4.5Å; I269-L407 HydrophobicContact CG2-CD1 4.05Å; R340-L407 PolarHBondContact NH2-O 2.75Å; H344-L407 HydrophobicContact CB-CD1 3.7Å; C345-L407 PolarHBondContact O-N 3.31Å; L347-L407 HydrophobicContact CB-CD1 3.98Å; L347-L407 HydrophobicContact CB-CD2 4.04Å; L347-L407 HydrophobicContact CB-CG 4.04Å; I405-L407 HydrophobicContact CG2-CD2 4.4Å
408Q91.7Very high93.6Very high52 Ų5230.9 Ų30.924%0.24317%0.167CC..SBendtrans-140.9173173.9-53.8-177.933.500108.6P342 H344 Y406 K410 V413P342-Q408 PolarHBondContact O-NE2 3.24Å; H344-Q408 PolarHBondContact O-NE2 2.61Å; Y406-Q408 WeakPolarHBondContact CB-O 3.37Å; Y406-Q408 PolarHBondContact O-N 2.98Å; Q408-K410 PolarHBondContact O-N 2.74Å; Q408-V413 HydrophobicContact CB-CG2 4.04Å
409D90.1Very high92.5Very high112 Ų11233.7 Ų33.760%0.59919%0.188SC*.  trans-56140.5171.5-66.7-68.1000111.2S411 S412 V413D409-S411 PolarHBondContact O-N 3.22Å; D409-S411 VanDerWaalsContact O-N 3.15Å; D409-S412 WeakPolarHBondContact O-CB 3.5Å; D409-S412 PolarHBondContact O-N 3Å; D409-V413 PolarHBondContact O-N 3.33Å
410K90.5Very high91.1Very high85 Ų8536.1 Ų36.137%0.3720%0.199SC..Hα-helixtrans-54.8-37.2-178.4-68.7-156.6177.4-164.70112.6T144 E146 Y406 Q408 V413 A414T144-K410 WeakPolarHBondContact OG1-CE 3.33Å; E146-K410 IonicContact OE1-NZ 2.84Å; E146-K410 PolarHBondContact OE1-NZ 2.95Å; Y406-K410 HydrophobicContact CD1-CB 4.4Å; Y406-K410 HydrophobicContact CD1-CD 4.4Å; Y406-K410 HydrophobicContact CD1-CG 3.74Å; Y406-K410 HydrophobicContact CD2-CD 4.4Å; Y406-K410 HydrophobicContact CD2-CG 4.22Å; Y406-K410 HydrophobicContact CE1-CD 4.12Å; Y406-K410 HydrophobicContact CE1-CG 3.91Å; Y406-K410 HydrophobicContact CE2-CD 4.14Å; Y406-K410 HydrophobicContact CE2-CG 4.39Å; Y406-K410 HydrophobicContact CG-CG 3.91Å; Q408-K410 PolarHBondContact O-N 2.74Å; K410-V413 PolarHBondContact O-N 3.29Å; K410-A414 PolarHBondContact O-N 3.45Å
411S89.9Confident89.3Confident76 Ų7640.2 Ų40.253%0.53122%0.221SC..Hα-helixtrans-65.5-41.9176.152.40000112.2D409 V413 A414 D415D409-S411 PolarHBondContact O-N 3.22Å; D409-S411 VanDerWaalsContact O-N 3.15Å; S411-V413 VanDerWaalsContact C-N 3.35Å; S411-A414 PolarHBondContact O-N 3.21Å; S411-D415 VanDerWaalsContact O-CG 3.28Å; S411-D415 PolarHBondContact O-N 3.3Å
412S91.8Very high87.4Confident43 Ų4345.3 Ų45.330%0.30125%0.254SS..Hα-helixtrans-65.1-40.3176.9-60.60000111.6D409 D415 L416D409-S412 WeakPolarHBondContact O-CB 3.5Å; D409-S412 PolarHBondContact O-N 3Å; S412-D415 PolarHBondContact O-N 2.8Å; S412-L416 WeakPolarHBondContact O-CB 3.01Å; S412-L416 VanDerWaalsContact O-CG 3.23Å; S412-L416 WeakPolarHBondContact O-CG 3.49Å; S412-L416 PolarHBondContact O-N 3.09Å
413V93.2Very high85.3Confident0 Ų053.8 Ų53.80%029%0.294CS..Hα-helixtrans-60.2-48.2172.9176.30000110.6C345 L346 Y371 Y406 Q408 D409 K410 S411 D415 L416 F417C345-V413 HydrophobicContact CB-CG1 4.37Å; C345-V413 HydrophobicContact CB-CG2 4.36Å; L346-V413 HydrophobicContact CD2-CG1 4.03Å; L346-V413 HydrophobicContact CG-CG1 4.21Å; Y371-V413 HydrophobicContact CE2-CG1 4Å; Y406-V413 HydrophobicContact CD1-CB 4.39Å; Y406-V413 HydrophobicContact CD1-CG1 4.48Å; Y406-V413 HydrophobicContact CD1-CG2 4.15Å; Q408-V413 HydrophobicContact CB-CG2 4.04Å; D409-V413 PolarHBondContact O-N 3.33Å; K410-V413 PolarHBondContact O-N 3.29Å; S411-V413 VanDerWaalsContact C-N 3.35Å; V413-D415 PolarHBondContact O-N 3.03Å; V413-L416 PolarHBondContact O-N 2.65Å; V413-F417 HydrophobicContact CG1-CD2 3.68Å; V413-F417 HydrophobicContact CG1-CE2 3.78Å; V413-F417 VanDerWaalsContact O-CD2 3.31Å; V413-F417 WeakPolarHBondContact O-CD2 3.43Å; V413-F417 PolarHBondContact O-N 2.7Å
414A92.4Very high83.1Confident6 Ų660.7 Ų60.75%0.0533%0.33CS..Hα-helixtrans-58.4-47.7177.800000112Y371 K410 S411 L416 F417 H418Y371-A414 HydrophobicContact CD1-CB 3.69Å; Y371-A414 HydrophobicContact CE1-CB 3.62Å; K410-A414 PolarHBondContact O-N 3.45Å; S411-A414 PolarHBondContact O-N 3.21Å; A414-L416 VanDerWaalsContact C-N 3.35Å; A414-L416 PolarHBondContact O-N 3.4Å; A414-F417 PolarHBondContact O-N 3.25Å; A414-H418 VanDerWaalsContact O-CB 3.3Å; A414-H418 WeakPolarHBondContact O-CB 3.36Å; A414-H418 PolarHBondContact O-CD2 3.18Å; A414-H418 PolarHBondContact O-N 2.7Å
415D91.3Very high82.3Confident106 Ų10663.8 Ų63.857%0.56735%0.346SS*.Hα-helixtrans-60.4-42.5178.6-70.8-23.2000112.1S411 S412 V413 H418 S419S411-D415 VanDerWaalsContact O-CG 3.28Å; S411-D415 PolarHBondContact O-N 3.3Å; S412-D415 PolarHBondContact O-N 2.8Å; V413-D415 PolarHBondContact O-N 3.03Å; D415-H418 PolarHBondContact O-N 3.06Å; D415-S419 WeakPolarHBondContact O-CB 3.11Å; D415-S419 PolarHBondContact O-N 3.34Å; D415-S419 PolarHBondContact O-OG 2.81Å
416L91.4Very high81.5Confident60 Ų6067.1 Ų67.131%0.31437%0.365SS..Hα-helixtrans-62.5-46.8177.8-74.5169.9000111.6A272 S412 V413 A414 S419A272-L416 HydrophobicContact CB-CB 3.77Å; S412-L416 WeakPolarHBondContact O-CB 3.01Å; S412-L416 VanDerWaalsContact O-CG 3.23Å; S412-L416 WeakPolarHBondContact O-CG 3.49Å; S412-L416 PolarHBondContact O-N 3.09Å; V413-L416 PolarHBondContact O-N 2.65Å; A414-L416 VanDerWaalsContact C-N 3.35Å; A414-L416 PolarHBondContact O-N 3.4Å; L416-S419 PolarHBondContact O-N 3.06Å; L416-S419 PolarHBondContact O-OG 3.45Å
417F89.3Confident80.7Confident5 Ų570.5 Ų70.52%0.02238%0.384CS..Hα-helixtrans-71.6-28.6177.5-80.7-76.5000113.3D271 A272 C345 L346 H364 V367 R368 Y371 V413 A414D271-F417 WeakPolarHBondContact O-CZ 3.25Å; A272-F417 HydrophobicContact CB-CD1 4.37Å; A272-F417 HydrophobicContact CB-CE1 4.45Å; A272-F417 HydrophobicContact CB-CG 4.43Å; C345-F417 HydrophobicContact CB-CE2 3.89Å; C345-F417 HydrophobicContact CB-CZ 4.47Å; L346-F417 HydrophobicContact CD1-CE2 4.3Å; H364-F417 AromaticContact NE2-CE1 3.84Å; V367-F417 HydrophobicContact CB-CE1 4.5Å; V367-F417 HydrophobicContact CG1-CD1 4.17Å; V367-F417 HydrophobicContact CG1-CD2 4.22Å; V367-F417 HydrophobicContact CG1-CE1 3.76Å; V367-F417 HydrophobicContact CG1-CE2 3.85Å; V367-F417 HydrophobicContact CG1-CG 4.39Å; V367-F417 HydrophobicContact CG1-CZ 3.61Å; R368-F417 HydrophobicContact CG-CD1 3.89Å; R368-F417 HydrophobicContact CG-CE1 4.07Å; Y371-F417 HydrophobicContact CD2-CB 3.61Å; Y371-F417 AromaticContact CD2-CD2 3.83Å; Y371-F417 HydrophobicContact CD2-CD2 3.83Å; Y371-F417 AromaticContact CD2-CG 3.77Å; Y371-F417 HydrophobicContact CD2-CG 3.77Å; Y371-F417 HydrophobicContact CE2-CB 4.45Å; Y371-F417 AromaticContact CE2-CD2 3.86Å; Y371-F417 HydrophobicContact CE2-CD2 3.86Å; Y371-F417 HydrophobicContact CE2-CE2 4.47Å; Y371-F417 HydrophobicContact CE2-CG 4.29Å; Y371-F417 HydrophobicContact CG-CB 3.9Å; V413-F417 HydrophobicContact CG1-CD2 3.68Å; V413-F417 HydrophobicContact CG1-CE2 3.78Å; V413-F417 VanDerWaalsContact O-CD2 3.31Å; V413-F417 WeakPolarHBondContact O-CD2 3.43Å; V413-F417 PolarHBondContact O-N 2.7Å; A414-F417 PolarHBondContact O-N 3.25Å
418H82.5Confident79.8Confident62 Ų6274.2 Ų74.229%0.28740%0.404SS..Hα-helixtrans-70.9-33.5173.9-79.4-50.4000113.5Y371 K377 A414 D415 Q420Y371-H418 PolarHBondContact O-CE1 3.04Å; Y371-H418 PolarHBondContact O-ND1 3.23Å; K377-H418 PolarHBondContact NZ-NE2 3.03Å; A414-H418 VanDerWaalsContact O-CB 3.3Å; A414-H418 WeakPolarHBondContact O-CB 3.36Å; A414-H418 PolarHBondContact O-CD2 3.18Å; A414-H418 PolarHBondContact O-N 2.7Å; D415-H418 PolarHBondContact O-N 3.06Å; H418-Q420 PolarHBondContact O-N 2.86Å
419S73.1Confident79Confident82 Ų8275.6 Ų75.657%0.57341%0.414SS*.THydrogen-bonded Turntrans-71.7-4.7-173.968.80000115D415 L416D415-S419 WeakPolarHBondContact O-CB 3.11Å; D415-S419 PolarHBondContact O-N 3.34Å; D415-S419 PolarHBondContact O-OG 2.81Å; L416-S419 PolarHBondContact O-N 3.06Å; L416-S419 PolarHBondContact O-OG 3.45Å
420Q65.8Low78.3Confident55 Ų5573.1 Ų73.126%0.25740%0.401SS..SBendtrans-100146.8-173.3-60.6-64.8-3200111.9N273 H418 P422N273-Q420 PolarHBondContact OD1-NE2 3.47Å; H418-Q420 PolarHBondContact O-N 2.86Å; Q420-P422 WeakPolarHBondContact O-CD 3.41Å
421D59.6Low77.4Confident87 Ų8772.3 Ų72.347%0.46540%0.404SS..  trans-60.7121.8174.6-171.3-18000110.3R368 E423 L424R368-D421 PolarHBondContact NH2-O 3.01Å; D421-E423 PolarHBondContact O-N 2.83Å; D421-E423 VanDerWaalsContact O-N 3.09Å; D421-E423 PolarHBondContact OD1-N 3.49Å; D421-L424 HydrophobicContact CB-CD1 4.25Å; D421-L424 PolarHBondContact O-N 3.37Å
422P56.8Low76.4Confident106 Ų10672 Ų7269%0.68839%0.394SS*.THydrogen-bonded Turntrans-60.7-14.2178.323-32.3000114.4Q420Q420-P422 WeakPolarHBondContact O-CD 3.41Å
423E55.1Low75.2Confident178 Ų17874.4 Ų74.483%0.83240%0.402SS*.THydrogen-bonded Turntrans-83.9-9.1177.3-64.9-168174.800115.1D421D421-E423 PolarHBondContact O-N 2.83Å; D421-E423 VanDerWaalsContact O-N 3.09Å; D421-E423 PolarHBondContact OD1-N 3.49Å
424L51.7Low73.5Confident146 Ų14681.2 Ų81.276%0.76444%0.438SS*.  trans-83.50170.5-75.2165.5000111.5R368 D421R368-L424 PolarHBondContact NH1-OXT 2.83Å; R368-L424 PolarHBondContact NH2-OXT 3.43Å; D421-L424 HydrophobicContact CB-CD1 4.25Å; D421-L424 PolarHBondContact O-N 3.37Å

Retrieved 424 of 424 residues in 192.9 ms (Link to these results)

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