A0A077ZJG6_TRITR Loading...

Acetolactate synthase

AlphaFold DB , UniProt , Accession A0A077ZJG6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 574 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
1M83Confident96.4Very high179 Ų17936.4 Ų36.488%0.88218%0.177SC*.  0121.90-159.9172.2-82.400106P173 V175M1-P173 HydrophobicContact CG-CB 3.94Å; M1-P173 HydrophobicContact SD-CB 3.47Å; M1-P173 WeakPolarHBondContact SD-CB 3.48Å; M1-V175 HydrophobicContact CE-CG2 4.23Å; M1-V175 HydrophobicContact SD-CG2 4.15Å
2E93.8Very high96.5Very high84 Ų8439.8 Ų39.839%0.39319%0.187SC..  trans-73.3139.4-176.8-165.6174.4-17300109.2L4 R12 Y174E2-L4 HydrophobicContact CG-CD1 4.33Å; E2-L4 HydrophobicContact CG-CD2 3.73Å; E2-L4 HydrophobicContact CG-CG 3.89Å; E2-R12 IonicContact OE1-NH1 3.54Å; E2-R12 PolarHBondContact OE1-NH1 3.47Å; E2-R12 IonicContact OE2-CZ 3.74Å; E2-R12 IonicContact OE2-NH1 2.72Å; E2-R12 PolarHBondContact OE2-NH1 3.44Å; E2-R12 IonicContact OE2-NH2 2.86Å; E2-Y174 PolarHBondContact O-N 2.91Å
3M97.4Very high96.6Very high93 Ų9336.7 Ų36.746%0.45817%0.172SC..EExtended strand (participates in β ladder)trans-104.9111.6178.6-62.7-62.8-65.600108.4K171 L172 P173M3-K171 HydrophobicContact CB-CB 4.27Å; M3-K171 WeakPolarHBondContact CE-O 3.42Å; M3-L172 CarbonylContact C-O 3.5Å; M3-L172 WeakPolarHBondContact CA-O 3.45Å; M3-P173 HydrophobicContact CE-CG 4.04Å; M3-P173 HydrophobicContact SD-CB 3.98Å; M3-P173 HydrophobicContact SD-CG 3.77Å
4L97.9Very high96.7Very high9 Ų934.4 Ų34.45%0.04716%0.162CC..EExtended strand (participates in β ladder)trans-125.6145.5-171.9-63.7-174.9000111E2 E8 M9 R12 K171 L172 Y174E2-L4 HydrophobicContact CG-CD1 4.33Å; E2-L4 HydrophobicContact CG-CD2 3.73Å; E2-L4 HydrophobicContact CG-CG 3.89Å; L4-E8 WeakPolarHBondContact CA-OE2 3.29Å; L4-E8 HydrophobicContact CB-CB 3.89Å; L4-E8 HydrophobicContact CD1-CB 4.44Å; L4-E8 HydrophobicContact CD2-CB 3.96Å; L4-E8 HydrophobicContact CG-CB 4.31Å; L4-M9 HydrophobicContact CB-CE 4.43Å; L4-M9 HydrophobicContact CB-CG 3.72Å; L4-M9 WeakPolarHBondContact O-CE 3.13Å; L4-R12 HydrophobicContact CD1-CB 3.78Å; L4-R12 HydrophobicContact CD1-CG 4.03Å; L4-K171 CarbonylContact O-C 3.56Å; L4-K171 WeakPolarHBondContact O-CA 3.4Å; L4-L172 PolarHBondContact N-O 2.93Å; L4-L172 PolarHBondContact O-N 3.12Å; L4-Y174 HydrophobicContact CD1-CD1 4.31Å; L4-Y174 HydrophobicContact CD1-CD2 4.12Å; L4-Y174 HydrophobicContact CD1-CG 3.82Å
5S98.1Very high96.8Very high2 Ų235.7 Ų35.71%0.01417%0.169CC..  trans-70.5164.716560.60000111.5A7 E8 M9 N167 N170S5-A7 VanDerWaalsContact C-N 3.29Å; S5-A7 PolarHBondContact O-N 3.31Å; S5-E8 WeakPolarHBondContact CB-OE2 3.23Å; S5-E8 PolarHBondContact N-OE2 2.59Å; S5-E8 CarbonylContact O-C 3.57Å; S5-E8 PolarHBondContact O-N 2.81Å; S5-E8 VanDerWaalsContact O-N 3.14Å; S5-E8 WeakPolarHBondContact OG-CB 3.39Å; S5-E8 VanDerWaalsContact OG-CD 3.29Å; S5-E8 VanDerWaalsContact OG-CG 3.24Å; S5-E8 WeakPolarHBondContact OG-CG 3.46Å; S5-E8 PolarHBondContact OG-N 3.46Å; S5-E8 PolarHBondContact OG-OE2 3.32Å; S5-M9 VanDerWaalsContact O-CG 3.28Å; S5-M9 WeakPolarHBondContact O-CG 3.41Å; S5-M9 PolarHBondContact O-N 2.69Å; S5-N167 WeakPolarHBondContact CB-O 3.26Å; S5-N170 WeakPolarHBondContact CA-O 3.22Å
6G98.2Very high96.8Very high0 Ų036.9 Ų36.90%018%0.177CC..Hα-helixtrans-58.3-40.6179.500000113.4M9 V10 T135 I138 I165G6-M9 WeakPolarHBondContact O-CB 3.38Å; G6-M9 PolarHBondContact O-N 3.2Å; G6-V10 WeakPolarHBondContact O-CG2 3.49Å; G6-V10 PolarHBondContact O-N 3.04Å; G6-T135 VanDerWaalsContact CA-CG2 3.49Å; G6-I138 WeakPolarHBondContact O-CD1 3.43Å; G6-I165 WeakPolarHBondContact CA-O 3.41Å
7A98.3Very high96.9Very high1 Ų138.4 Ų38.41%0.00818%0.184CC..Hα-helixtrans-62.7-46.6173.500000112.9S5 M9 V10 V11 D32 I33 A36 L166S5-A7 VanDerWaalsContact C-N 3.29Å; S5-A7 PolarHBondContact O-N 3.31Å; A7-M9 VanDerWaalsContact C-N 3.27Å; A7-M9 PolarHBondContact O-N 3.31Å; A7-V10 PolarHBondContact O-N 2.98Å; A7-V11 PolarHBondContact O-N 3.23Å; A7-D32 VanDerWaalsContact CB-C 3.43Å; A7-D32 HydrophobicContact CB-CB 3.85Å; A7-D32 WeakPolarHBondContact CB-O 3.48Å; A7-I33 HydrophobicContact CB-CG1 4.35Å; A7-A36 HydrophobicContact CB-CB 3.82Å; A7-L166 HydrophobicContact CB-CB 4.36Å; A7-L166 WeakPolarHBondContact CB-O 3.29Å; A7-L166 PolarHBondContact N-O 3.46Å
8E98.2Very high96.9Very high31 Ų3139.1 Ų39.115%0.14520%0.203CC..Hα-helixtrans-61.9-35.9174.9-69.4164.7142.400111.3L4 S5 V11 R12 A36 V40 K171L4-E8 WeakPolarHBondContact CA-OE2 3.29Å; L4-E8 HydrophobicContact CB-CB 3.89Å; L4-E8 HydrophobicContact CD1-CB 4.44Å; L4-E8 HydrophobicContact CD2-CB 3.96Å; L4-E8 HydrophobicContact CG-CB 4.31Å; S5-E8 WeakPolarHBondContact CB-OE2 3.23Å; S5-E8 PolarHBondContact N-OE2 2.59Å; S5-E8 CarbonylContact O-C 3.57Å; S5-E8 PolarHBondContact O-N 2.81Å; S5-E8 VanDerWaalsContact O-N 3.14Å; S5-E8 WeakPolarHBondContact OG-CB 3.39Å; S5-E8 VanDerWaalsContact OG-CD 3.29Å; S5-E8 VanDerWaalsContact OG-CG 3.24Å; S5-E8 WeakPolarHBondContact OG-CG 3.46Å; S5-E8 PolarHBondContact OG-N 3.46Å; S5-E8 PolarHBondContact OG-OE2 3.32Å; E8-V11 PolarHBondContact O-N 3.4Å; E8-R12 VanDerWaalsContact O-CB 3.3Å; E8-R12 WeakPolarHBondContact O-CB 3.5Å; E8-R12 PolarHBondContact O-N 3.31Å; E8-A36 HydrophobicContact CG-CB 4.37Å; E8-V40 HydrophobicContact CB-CG2 4.12Å; E8-V40 HydrophobicContact CG-CG2 3.85Å; E8-K171 VanDerWaalsContact CD-NZ 3.33Å; E8-K171 IonicContact OE1-NZ 2.79Å; E8-K171 PolarHBondContact OE1-NZ 2.81Å; E8-K171 WeakPolarHBondContact OE2-CE 3.13Å; E8-K171 IonicContact OE2-NZ 3Å; E8-K171 PolarHBondContact OE2-NZ 3.05Å
9M98.3Very high96.9Very high1 Ų138 Ų381%0.00520%0.198CC..Hα-helixtrans-65.4-38.3175.2-70.9-170.8178.500112.4L4 S5 G6 A7 S13 T135 I138 P139 L172 Y174L4-M9 HydrophobicContact CB-CE 4.43Å; L4-M9 HydrophobicContact CB-CG 3.72Å; L4-M9 WeakPolarHBondContact O-CE 3.13Å; S5-M9 VanDerWaalsContact O-CG 3.28Å; S5-M9 WeakPolarHBondContact O-CG 3.41Å; S5-M9 PolarHBondContact O-N 2.69Å; G6-M9 WeakPolarHBondContact O-CB 3.38Å; G6-M9 PolarHBondContact O-N 3.2Å; A7-M9 VanDerWaalsContact C-N 3.27Å; A7-M9 PolarHBondContact O-N 3.31Å; M9-S13 WeakPolarHBondContact O-CB 3.33Å; M9-S13 PolarHBondContact O-N 2.82Å; M9-S13 PolarHBondContact O-OG 2.71Å; M9-T135 HydrophobicContact SD-CG2 4.21Å; M9-I138 HydrophobicContact CB-CB 4.48Å; M9-I138 HydrophobicContact CB-CG2 4.17Å; M9-P139 HydrophobicContact SD-CG 4.27Å; M9-L172 HydrophobicContact CE-CB 3.68Å; M9-L172 VanDerWaalsContact CE-O 3.25Å; M9-L172 WeakPolarHBondContact CE-O 3.23Å; M9-Y174 HydrophobicContact CB-CD2 4.3Å; M9-Y174 HydrophobicContact CG-CD2 3.95Å
10V98.6Very high96.8Very high0 Ų043.4 Ų43.40%022%0.22CC..Hα-helixtrans-59.6-53.7173.8170.50000109.6G6 A7 R12 S13 L14 I33 L99 I138 L142 L161 L166G6-V10 WeakPolarHBondContact O-CG2 3.49Å; G6-V10 PolarHBondContact O-N 3.04Å; A7-V10 PolarHBondContact O-N 2.98Å; V10-R12 PolarHBondContact O-N 3.45Å; V10-S13 WeakPolarHBondContact O-CB 3.44Å; V10-S13 PolarHBondContact O-N 2.82Å; V10-L14 HydrophobicContact CG1-CD1 4.33Å; V10-L14 WeakPolarHBondContact O-CG 3.38Å; V10-L14 PolarHBondContact O-N 3.31Å; V10-L14 VanDerWaalsContact O-N 3.08Å; V10-I33 HydrophobicContact CG1-CG2 4.27Å; V10-L99 HydrophobicContact CG1-CD1 3.93Å; V10-I138 HydrophobicContact CB-CG2 4.44Å; V10-I138 HydrophobicContact CG2-CD1 4.33Å; V10-I138 HydrophobicContact CG2-CG2 3.6Å; V10-L142 HydrophobicContact CB-CD1 4.49Å; V10-L142 HydrophobicContact CG1-CD1 4.35Å; V10-L142 HydrophobicContact CG2-CD1 4.5Å; V10-L161 HydrophobicContact CG2-CD1 4.05Å; V10-L161 HydrophobicContact CG2-CD2 4.48Å; V10-L166 HydrophobicContact CG2-CD2 4.16Å
11V98.2Very high96.7Very high0 Ų042.9 Ų42.90%022%0.217CC..Hα-helixtrans-62.4-45.8-177.4178.10000110.8A7 E8 S13 L14 I15 I33 A36 L37 V40 I43A7-V11 PolarHBondContact O-N 3.23Å; E8-V11 PolarHBondContact O-N 3.4Å; V11-S13 VanDerWaalsContact C-N 3.32Å; V11-S13 PolarHBondContact O-N 2.98Å; V11-L14 WeakPolarHBondContact O-CB 3.4Å; V11-L14 PolarHBondContact O-N 2.85Å; V11-L14 VanDerWaalsContact O-N 3.16Å; V11-I15 HydrophobicContact CG1-CD1 4.24Å; V11-I15 WeakPolarHBondContact O-CG1 3.02Å; V11-I15 PolarHBondContact O-N 3.16Å; V11-I15 VanDerWaalsContact O-N 3.07Å; V11-I33 HydrophobicContact CG2-CG2 4.45Å; V11-A36 HydrophobicContact CG2-CB 3.74Å; V11-L37 HydrophobicContact CG1-CD2 4.18Å; V11-L37 HydrophobicContact CG2-CD2 3.86Å; V11-L37 HydrophobicContact CG2-CG 3.96Å; V11-V40 HydrophobicContact CG1-CB 3.95Å; V11-V40 HydrophobicContact CG1-CG1 3.99Å; V11-I43 HydrophobicContact CG1-CD1 4.28Å
12R97.9Very high97.5Very high77 Ų7734.4 Ų34.429%0.29118%0.175SC..Hα-helixtrans-64.3-37.5179.4-172.854-179.9-101.30112.8E2 L4 E8 V10 L14 I15 D16 Y174E2-R12 IonicContact OE1-NH1 3.54Å; E2-R12 PolarHBondContact OE1-NH1 3.47Å; E2-R12 IonicContact OE2-CZ 3.74Å; E2-R12 IonicContact OE2-NH1 2.72Å; E2-R12 PolarHBondContact OE2-NH1 3.44Å; E2-R12 IonicContact OE2-NH2 2.86Å; L4-R12 HydrophobicContact CD1-CB 3.78Å; L4-R12 HydrophobicContact CD1-CG 4.03Å; E8-R12 VanDerWaalsContact O-CB 3.3Å; E8-R12 WeakPolarHBondContact O-CB 3.5Å; E8-R12 PolarHBondContact O-N 3.31Å; V10-R12 PolarHBondContact O-N 3.45Å; R12-L14 VanDerWaalsContact C-N 3.32Å; R12-L14 PolarHBondContact O-N 2.85Å; R12-I15 PolarHBondContact O-N 3.23Å; R12-D16 IonicContact NE-OD1 2.64Å; R12-D16 PolarHBondContact NE-OD1 3.23Å; R12-D16 VanDerWaalsContact NE-OD1 3.12Å; R12-D16 IonicContact NE-OD2 3.37Å; R12-D16 PolarHBondContact O-N 3.43Å; R12-Y174 HydrophobicContact CB-CE2 4.3Å; R12-Y174 HydrophobicContact CG-CD1 4.15Å; R12-Y174 HydrophobicContact CG-CE1 3.59Å; R12-Y174 HydrophobicContact CG-CE2 4.23Å
13S98.2Very high97.7Very high0 Ų030.5 Ų30.50%016%0.157CC..Hα-helixtrans-62.2-39.5174.5-64.40000112.2M9 V10 V11 Q17 P139 L142 Y174 W176M9-S13 WeakPolarHBondContact O-CB 3.33Å; M9-S13 PolarHBondContact O-N 2.82Å; M9-S13 PolarHBondContact O-OG 2.71Å; V10-S13 WeakPolarHBondContact O-CB 3.44Å; V10-S13 PolarHBondContact O-N 2.82Å; V11-S13 VanDerWaalsContact C-N 3.32Å; V11-S13 PolarHBondContact O-N 2.98Å; S13-Q17 WeakPolarHBondContact O-CB 3.48Å; S13-Q17 PolarHBondContact O-N 3.11Å; S13-P139 WeakPolarHBondContact OG-CA 3.17Å; S13-L142 VanDerWaalsContact CB-CD1 3.45Å; S13-Y174 WeakPolarHBondContact CA-OH 3.45Å; S13-W176 VanDerWaalsContact CB-CZ3 3.41Å; S13-W176 WeakPolarHBondContact O-CH2 3.36Å
14L98.4Very high97.8Very high4 Ų426 Ų262%0.02114%0.135CC..Hα-helixtrans-65.3-43176.1-66.8175.6000111.1V10 V11 R12 Q17 G18 V19 V22 I43 V70 L99 F146V10-L14 HydrophobicContact CG1-CD1 4.33Å; V10-L14 WeakPolarHBondContact O-CG 3.38Å; V10-L14 PolarHBondContact O-N 3.31Å; V10-L14 VanDerWaalsContact O-N 3.08Å; V11-L14 WeakPolarHBondContact O-CB 3.4Å; V11-L14 PolarHBondContact O-N 2.85Å; V11-L14 VanDerWaalsContact O-N 3.16Å; R12-L14 VanDerWaalsContact C-N 3.32Å; R12-L14 PolarHBondContact O-N 2.85Å; L14-Q17 WeakPolarHBondContact O-CB 3.33Å; L14-Q17 PolarHBondContact O-N 3.1Å; L14-G18 PolarHBondContact O-N 2.91Å; L14-V19 HydrophobicContact CB-CB 4.07Å; L14-V19 HydrophobicContact CB-CG2 4.27Å; L14-V19 HydrophobicContact CD2-CG2 4.1Å; L14-V19 VanDerWaalsContact O-CB 3.3Å; L14-V19 WeakPolarHBondContact O-CB 3.31Å; L14-V19 WeakPolarHBondContact O-CG2 3.26Å; L14-V19 PolarHBondContact O-N 2.93Å; L14-V22 HydrophobicContact CD1-CG1 3.99Å; L14-I43 HydrophobicContact CB-CD1 3.29Å; L14-I43 HydrophobicContact CD1-CD1 4Å; L14-I43 HydrophobicContact CG-CD1 4.31Å; L14-V70 HydrophobicContact CD2-CG1 4.07Å; L14-L99 HydrophobicContact CD1-CD1 4.05Å; L14-L99 HydrophobicContact CD2-CD1 4.45Å; L14-F146 HydrophobicContact CD2-CE2 3.71Å; L14-F146 HydrophobicContact CD2-CZ 3.67Å
15I97.8Very high97.8Very high54 Ų5429.5 Ų29.528%0.27715%0.148SC..Hα-helixtrans-60.3-50.8175.3-63.6168.6000110.6V11 R12 Q17 G18 V40 G41 I43V11-I15 HydrophobicContact CG1-CD1 4.24Å; V11-I15 WeakPolarHBondContact O-CG1 3.02Å; V11-I15 PolarHBondContact O-N 3.16Å; V11-I15 VanDerWaalsContact O-N 3.07Å; R12-I15 PolarHBondContact O-N 3.23Å; I15-Q17 PolarHBondContact O-N 3.5Å; I15-G18 WeakPolarHBondContact O-CA 3.47Å; I15-G18 PolarHBondContact O-N 2.86Å; I15-V40 HydrophobicContact CD1-CG1 4.04Å; I15-G41 VanDerWaalsContact CD1-O 3.3Å; I15-G41 WeakPolarHBondContact CD1-O 3.46Å; I15-I43 HydrophobicContact CG1-CD1 3.81Å; I15-I43 HydrophobicContact CG1-CG1 3.71Å
16D97.2Very high97.7Very high56 Ų5631.8 Ų31.830%0.29916%0.163SC..Hα-helixtrans-68.7-16.1-178.9-68-14.2000112.5R12 Y174 W176R12-D16 IonicContact NE-OD1 2.64Å; R12-D16 PolarHBondContact NE-OD1 3.23Å; R12-D16 VanDerWaalsContact NE-OD1 3.12Å; R12-D16 IonicContact NE-OD2 3.37Å; R12-D16 PolarHBondContact O-N 3.43Å; D16-Y174 WeakPolarHBondContact OD2-CE1 3.25Å; D16-Y174 VanDerWaalsContact OD2-CZ 3.3Å; D16-Y174 PolarHBondContact OD2-OH 3.45Å; D16-W176 HydrophobicContact CB-CD2 3.97Å; D16-W176 HydrophobicContact CB-CG 3.93Å; D16-W176 HydrophobicContact CB-CZ2 4.41Å; D16-W176 PolarHBondContact O-NE1 3.4Å
17Q97.6Very high97.7Very high61 Ų6132.6 Ų32.629%0.28517%0.171SC..THydrogen-bonded Turntrans-85-10.6169.9-170.84951.700113.1S13 L14 I15 V19 F146 W176S13-Q17 WeakPolarHBondContact O-CB 3.48Å; S13-Q17 PolarHBondContact O-N 3.11Å; L14-Q17 WeakPolarHBondContact O-CB 3.33Å; L14-Q17 PolarHBondContact O-N 3.1Å; I15-Q17 PolarHBondContact O-N 3.5Å; Q17-V19 HydrophobicContact CB-CG2 4.42Å; Q17-F146 HydrophobicContact CG-CB 4.06Å; Q17-F146 HydrophobicContact CG-CD1 3.61Å; Q17-F146 HydrophobicContact CG-CD2 3.75Å; Q17-F146 HydrophobicContact CG-CE1 3.94Å; Q17-F146 HydrophobicContact CG-CE2 4.07Å; Q17-F146 HydrophobicContact CG-CG 3.52Å; Q17-F146 HydrophobicContact CG-CZ 4.17Å; Q17-W176 HydrophobicContact CB-CH2 4.09Å; Q17-W176 HydrophobicContact CB-CZ2 3.77Å; Q17-W176 HydrophobicContact CG-CZ2 4.44Å
18G96.5Very high97.6Very high51 Ų5134.7 Ų34.753%0.52619%0.193SC..THydrogen-bonded Turntrans89.813.718000000114.6L14 I15 K20L14-G18 PolarHBondContact O-N 2.91Å; I15-G18 WeakPolarHBondContact O-CA 3.47Å; I15-G18 PolarHBondContact O-N 2.86Å; G18-K20 PolarHBondContact O-N 3Å
19V97.8Very high97.5Very high19 Ų1933.5 Ų33.512%0.11519%0.188CC..  trans-71.2127.6178.3178.90000109.4L14 Q17 Q21 V22 V70 F146L14-V19 HydrophobicContact CB-CB 4.07Å; L14-V19 HydrophobicContact CB-CG2 4.27Å; L14-V19 HydrophobicContact CD2-CG2 4.1Å; L14-V19 VanDerWaalsContact O-CB 3.3Å; L14-V19 WeakPolarHBondContact O-CB 3.31Å; L14-V19 WeakPolarHBondContact O-CG2 3.26Å; L14-V19 PolarHBondContact O-N 2.93Å; Q17-V19 HydrophobicContact CB-CG2 4.42Å; V19-Q21 WeakPolarHBondContact CG1-O 3.25Å; V19-V22 HydrophobicContact CG1-CG1 4.21Å; V19-V70 HydrophobicContact CG1-CB 4.28Å; V19-V70 HydrophobicContact CG1-CG2 3.79Å; V19-V70 HydrophobicContact CG2-CG2 3.85Å; V19-F146 HydrophobicContact CG2-CE1 3.67Å; V19-F146 HydrophobicContact CG2-CZ 3.54Å
20K94.9Very high97.5Very high145 Ų14533.4 Ų33.463%0.6319%0.188SC*.  trans-96.9-30.8177.7-61.3177.9-175.4168.80113G18 I43 D44G18-K20 PolarHBondContact O-N 3Å; K20-I43 WeakPolarHBondContact O-CA 3.43Å; K20-D44 PolarHBondContact O-N 3Å
21Q95.6Very high97.4Very high34 Ų3438.2 Ų38.216%0.15921%0.213CC..EExtended strand (participates in β ladder)trans-144.8147.9-171.759.1-175.867.800112.3V19 F23 D44 L61V19-Q21 WeakPolarHBondContact CG1-O 3.25Å; Q21-F23 HydrophobicContact CG-CE2 4.48Å; Q21-D44 CarbonylContact C-O 3.5Å; Q21-D44 VanDerWaalsContact CA-O 3.22Å; Q21-D44 WeakPolarHBondContact CA-O 3.19Å; Q21-D44 HydrophobicContact CB-CB 4.42Å; Q21-L61 HydrophobicContact CG-CD1 4Å
22V98.2Very high97.4Very high1 Ų140.6 Ų40.61%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-127.6135.8175-65.60000109.6L14 V19 L37 I43 D44 H45 V46 V70L14-V22 HydrophobicContact CD1-CG1 3.99Å; V19-V22 HydrophobicContact CG1-CG1 4.21Å; V22-L37 HydrophobicContact CG2-CD1 4.22Å; V22-L37 HydrophobicContact CG2-CD2 4.35Å; V22-I43 HydrophobicContact CB-CG2 4.39Å; V22-I43 HydrophobicContact CG1-CG2 3.84Å; V22-I43 HydrophobicContact CG2-CG2 3.87Å; V22-D44 PolarHBondContact N-O 3.31Å; V22-H45 HydrophobicContact CG2-CB 4.29Å; V22-V46 PolarHBondContact O-N 2.86Å; V22-V70 HydrophobicContact CG1-CB 4.03Å; V22-V70 HydrophobicContact CG1-CG1 3.7Å
23F98.7Very high97.5Very high1 Ų137 Ų370%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-99.5131.6175.6-53.8-91.9000108.8Q21 V46 A54 M57 A58 L61 V70 V71 L72 M435Q21-F23 HydrophobicContact CG-CE2 4.48Å; F23-V46 HydrophobicContact CD1-CB 3.67Å; F23-V46 HydrophobicContact CD1-CG1 3.85Å; F23-V46 HydrophobicContact CD1-CG2 3.97Å; F23-V46 HydrophobicContact CE1-CB 4.25Å; F23-V46 HydrophobicContact CE1-CG1 4.3Å; F23-V46 HydrophobicContact CE1-CG2 4.1Å; F23-V46 HydrophobicContact CG-CB 4.4Å; F23-A54 HydrophobicContact CB-CB 3.92Å; F23-A54 WeakPolarHBondContact CB-O 3.24Å; F23-M57 HydrophobicContact CD1-CB 3.56Å; F23-M57 HydrophobicContact CD1-CE 3.91Å; F23-M57 HydrophobicContact CD1-CG 4.49Å; F23-M57 HydrophobicContact CD1-SD 4.32Å; F23-M57 HydrophobicContact CE1-CB 3.66Å; F23-M57 HydrophobicContact CE1-CE 3.82Å; F23-M57 HydrophobicContact CG-CB 4.11Å; F23-M57 HydrophobicContact CZ-CB 4.26Å; F23-A58 HydrophobicContact CD2-CB 3.6Å; F23-A58 HydrophobicContact CE2-CB 3.97Å; F23-A58 HydrophobicContact CG-CB 4.4Å; F23-L61 HydrophobicContact CE2-CB 4.33Å; F23-L61 HydrophobicContact CE2-CD1 4.02Å; F23-L61 HydrophobicContact CZ-CB 4.24Å; F23-L61 HydrophobicContact CZ-CD1 3.96Å; F23-V70 PolarHBondContact N-O 3.3Å; F23-V71 CarbonylContact O-C 3.57Å; F23-V71 VanDerWaalsContact O-CA 3.27Å; F23-V71 WeakPolarHBondContact O-CA 3.49Å; F23-L72 PolarHBondContact O-N 3.42Å; F23-M435 HydrophobicContact CE1-SD 3.89Å
24G98.4Very high97.4Very high0 Ų038.8 Ų38.80%022%0.219CC..EExtended strand (participates in β ladder)trans-173.7177-176.200000117H45 V46 V48 L72G24-H45 PolarHBondContact O-CE1 3.01Å; G24-H45 VanDerWaalsContact O-CE1 3.3Å; G24-H45 PolarHBondContact O-NE2 2.75Å; G24-V46 PolarHBondContact N-O 2.99Å; G24-V48 PolarHBondContact O-N 3.2Å; G24-L72 WeakPolarHBondContact CA-O 3.38Å
25Y98.3Very high97.4Very high81 Ų8142.7 Ų42.732%0.31824%0.24SC..EExtended strand (participates in β ladder)trans-135127.3175.8-155.4-75.7000110.2Y34 L47 V48 L72Y25-Y34 WeakPolarHBondContact CA-OH 3.45Å; Y25-Y34 PolarHBondContact N-OH 3.08Å; Y25-Y34 VanDerWaalsContact N-OH 3.11Å; Y25-Y34 PolarHBondContact O-OH 2.92Å; Y25-L47 HydrophobicContact CD2-CD1 4.27Å; Y25-V48 HydrophobicContact CD2-CG2 4.3Å; Y25-V48 WeakPolarHBondContact CD2-O 3.47Å; Y25-V48 VanDerWaalsContact CE2-O 3.26Å; Y25-V48 WeakPolarHBondContact CE2-O 3.4Å; Y25-L72 PolarHBondContact N-O 2.91Å
26P97.5Very high97.4Very high51 Ų5140.2 Ų40.233%0.33123%0.227SC..  trans-71.7150.1-175.628.9-35000112.4Y34 L47P26-Y34 VanDerWaalsContact CA-CE2 3.42Å; P26-Y34 HydrophobicContact CB-CD1 4.07Å; P26-Y34 HydrophobicContact CB-CD2 3.99Å; P26-Y34 HydrophobicContact CB-CE1 3.85Å; P26-Y34 HydrophobicContact CB-CE2 3.79Å; P26-Y34 HydrophobicContact CB-CG 4.12Å; P26-Y34 HydrophobicContact CG-CE1 4.4Å; P26-Y34 VanDerWaalsContact N-OH 3.16Å; P26-L47 VanDerWaalsContact CD-CD1 3.42Å; P26-L47 HydrophobicContact CG-CD1 4.28Å
27G96.8Very high97.4Very high17 Ų1738.2 Ų38.218%0.17522%0.217CC..  trans-165.3172.5172.400000112A29 V30 L31 T74G27-A29 VanDerWaalsContact C-N 3.27Å; G27-A29 PolarHBondContact O-N 3.32Å; G27-A29 VanDerWaalsContact O-N 3.12Å; G27-V30 WeakPolarHBondContact O-CG2 3.48Å; G27-V30 PolarHBondContact O-N 3.16Å; G27-L31 PolarHBondContact O-N 3.35Å; G27-T74 WeakPolarHBondContact CA-OG1 3.33Å
28G96.2Very high97.2Very high45 Ų4543 Ų4346%0.46424%0.239SC..THydrogen-bonded Turntrans-57.3-32.9-165.600000115.3
29A97.1Very high97.1Very high5 Ų544.7 Ų44.74%0.04124%0.239CC..THydrogen-bonded Turntrans-81.6-14.5-177.700000114.2G27 T74 S75G27-A29 VanDerWaalsContact C-N 3.27Å; G27-A29 PolarHBondContact O-N 3.32Å; G27-A29 VanDerWaalsContact O-N 3.12Å; A29-T74 PolarHBondContact N-OG1 3.25Å; A29-S75 WeakPolarHBondContact CB-OG 3.43Å
30V97.7Very high97Very high0 Ų046.2 Ų46.20%025%0.248CC..THydrogen-bonded Turntrans-116.67179.9-66.30000113G27 D32 I33 Y34 L72 V73G27-V30 WeakPolarHBondContact O-CG2 3.48Å; G27-V30 PolarHBondContact O-N 3.16Å; V30-D32 PolarHBondContact O-N 3.26Å; V30-I33 HydrophobicContact CB-CD1 4.43Å; V30-I33 HydrophobicContact CG1-CD1 4.28Å; V30-I33 WeakPolarHBondContact O-CA 3.25Å; V30-I33 WeakPolarHBondContact O-CB 3.49Å; V30-I33 PolarHBondContact O-N 3.31Å; V30-Y34 HydrophobicContact CB-CD2 4.29Å; V30-Y34 HydrophobicContact CB-CE2 4.4Å; V30-Y34 HydrophobicContact CG2-CD2 3.84Å; V30-Y34 HydrophobicContact CG2-CE2 3.69Å; V30-Y34 WeakPolarHBondContact O-CD2 3.39Å; V30-Y34 PolarHBondContact O-N 2.84Å; V30-Y34 VanDerWaalsContact O-N 3.1Å; V30-L72 HydrophobicContact CB-CD1 4.37Å; V30-L72 HydrophobicContact CG1-CD1 4.1Å; V30-V73 WeakPolarHBondContact CG1-O 3.49Å
31L97.4Very high96.8Very high100 Ų10040.3 Ų40.352%0.52423%0.229SC..Hα-helixtrans-53.1-41.3-177.6-83.5175000112.6G27 I33 Y34 D35G27-L31 PolarHBondContact O-N 3.35Å; L31-I33 VanDerWaalsContact C-N 3.29Å; L31-I33 PolarHBondContact O-N 2.85Å; L31-Y34 WeakPolarHBondContact O-CB 3.49Å; L31-Y34 PolarHBondContact O-N 2.79Å; L31-Y34 VanDerWaalsContact O-N 3.12Å; L31-D35 PolarHBondContact O-N 3.32Å
32D97.9Very high96.7Very high50 Ų5042 Ų4227%0.26726%0.256SS..Hα-helixtrans-63.4-35.6179-61.4-30.2000111.6A7 V30 D35 A36 L166 P168A7-D32 VanDerWaalsContact CB-C 3.43Å; A7-D32 HydrophobicContact CB-CB 3.85Å; A7-D32 WeakPolarHBondContact CB-O 3.48Å; V30-D32 PolarHBondContact O-N 3.26Å; D32-D35 PolarHBondContact O-N 2.73Å; D32-A36 WeakPolarHBondContact O-CB 3.43Å; D32-A36 PolarHBondContact O-N 3.49Å; D32-L166 HydrophobicContact CB-CB 4.23Å; D32-P168 HydrophobicContact CB-CG 4.18Å
33I98.3Very high96.6Very high2 Ų242.5 Ų42.51%0.0126%0.258CS..Hα-helixtrans-67.8-40175-58.3173.2000110.4A7 V10 V11 V30 L31 D35 A36 L37 L72 L161 L166A7-I33 HydrophobicContact CB-CG1 4.35Å; V10-I33 HydrophobicContact CG1-CG2 4.27Å; V11-I33 HydrophobicContact CG2-CG2 4.45Å; V30-I33 HydrophobicContact CB-CD1 4.43Å; V30-I33 HydrophobicContact CG1-CD1 4.28Å; V30-I33 WeakPolarHBondContact O-CA 3.25Å; V30-I33 WeakPolarHBondContact O-CB 3.49Å; V30-I33 PolarHBondContact O-N 3.31Å; L31-I33 VanDerWaalsContact C-N 3.29Å; L31-I33 PolarHBondContact O-N 2.85Å; I33-D35 VanDerWaalsContact C-N 3.35Å; I33-A36 PolarHBondContact O-N 3.27Å; I33-L37 WeakPolarHBondContact O-CG 3.44Å; I33-L37 PolarHBondContact O-N 2.87Å; I33-L72 HydrophobicContact CB-CD2 4.49Å; I33-L72 HydrophobicContact CD1-CD1 4.12Å; I33-L72 HydrophobicContact CG2-CD1 4.22Å; I33-L72 HydrophobicContact CG2-CD2 3.74Å; I33-L161 HydrophobicContact CD1-CD1 3.85Å; I33-L166 HydrophobicContact CD1-CD1 3.72Å; I33-L166 HydrophobicContact CD1-CD2 4.38Å; I33-L166 HydrophobicContact CG1-CD1 3.86Å; I33-L166 HydrophobicContact CG1-CD2 4.38Å
34Y97.9Very high96.5Very high37 Ų3748.1 Ų48.115%0.14529%0.288CS..Hα-helixtrans-65.6-37.6175.8-86.2-89.2000112.5Y25 P26 V30 L31 L37 H38 H45 L72Y25-Y34 WeakPolarHBondContact CA-OH 3.45Å; Y25-Y34 PolarHBondContact N-OH 3.08Å; Y25-Y34 VanDerWaalsContact N-OH 3.11Å; Y25-Y34 PolarHBondContact O-OH 2.92Å; P26-Y34 VanDerWaalsContact CA-CE2 3.42Å; P26-Y34 HydrophobicContact CB-CD1 4.07Å; P26-Y34 HydrophobicContact CB-CD2 3.99Å; P26-Y34 HydrophobicContact CB-CE1 3.85Å; P26-Y34 HydrophobicContact CB-CE2 3.79Å; P26-Y34 HydrophobicContact CB-CG 4.12Å; P26-Y34 HydrophobicContact CG-CE1 4.4Å; P26-Y34 VanDerWaalsContact N-OH 3.16Å; V30-Y34 HydrophobicContact CB-CD2 4.29Å; V30-Y34 HydrophobicContact CB-CE2 4.4Å; V30-Y34 HydrophobicContact CG2-CD2 3.84Å; V30-Y34 HydrophobicContact CG2-CE2 3.69Å; V30-Y34 WeakPolarHBondContact O-CD2 3.39Å; V30-Y34 PolarHBondContact O-N 2.84Å; V30-Y34 VanDerWaalsContact O-N 3.1Å; L31-Y34 WeakPolarHBondContact O-CB 3.49Å; L31-Y34 PolarHBondContact O-N 2.79Å; L31-Y34 VanDerWaalsContact O-N 3.12Å; Y34-L37 HydrophobicContact CD1-CD1 4.43Å; Y34-L37 PolarHBondContact O-N 2.79Å; Y34-H38 PolarHBondContact O-N 3.14Å; Y34-H45 AromaticContact CE1-CD2 3.58Å; Y34-H45 AromaticContact CE1-CE1 3.64Å; Y34-H45 AromaticContact CE1-CG 3.97Å; Y34-H45 AromaticContact CE1-ND1 3.99Å; Y34-H45 AromaticContact CE1-NE2 3.39Å; Y34-H45 WeakPolarHBondContact CE1-NE2 3.39Å; Y34-H45 AromaticContact CZ-CD2 3.95Å; Y34-H45 AromaticContact CZ-NE2 3.5Å; Y34-H45 PolarHBondContact OH-NE2 2.79Å; Y34-L72 HydrophobicContact CD2-CD2 4.03Å; Y34-L72 HydrophobicContact CE2-CD2 3.54Å; Y34-L72 HydrophobicContact CE2-CG 3.94Å
35D97.2Very high96.4Very high86 Ų8650 Ų5046%0.4630%0.297SS..Hα-helixtrans-64.1-43.3171.7-172.970.2000111.2L31 D32 I33 L37 H38 T39L31-D35 PolarHBondContact O-N 3.32Å; D32-D35 PolarHBondContact O-N 2.73Å; I33-D35 VanDerWaalsContact C-N 3.35Å; D35-L37 PolarHBondContact O-N 3.46Å; D35-H38 PolarHBondContact O-N 3.18Å; D35-T39 WeakPolarHBondContact O-CG2 3.48Å; D35-T39 PolarHBondContact O-N 3.18Å; D35-T39 PolarHBondContact O-OG1 3.21Å
36A97.4Very high96.4Very high2 Ų246.3 Ų46.32%0.01728%0.283CS..Hα-helixtrans-63.1-38.3175.300000113A7 E8 V11 D32 I33 H38 T39 V40A7-A36 HydrophobicContact CB-CB 3.82Å; E8-A36 HydrophobicContact CG-CB 4.37Å; V11-A36 HydrophobicContact CG2-CB 3.74Å; D32-A36 WeakPolarHBondContact O-CB 3.43Å; D32-A36 PolarHBondContact O-N 3.49Å; I33-A36 PolarHBondContact O-N 3.27Å; A36-H38 PolarHBondContact O-N 2.67Å; A36-T39 WeakPolarHBondContact CA-OG1 3.3Å; A36-T39 PolarHBondContact O-N 2.95Å; A36-T39 PolarHBondContact O-OG1 2.85Å; A36-V40 VanDerWaalsContact O-CB 3.26Å; A36-V40 WeakPolarHBondContact O-CB 3.41Å; A36-V40 WeakPolarHBondContact O-CG2 3.28Å; A36-V40 PolarHBondContact O-N 2.79Å
37L97.3Very high96.4Very high14 Ų1445.9 Ų45.97%0.07328%0.277CS..Hα-helixtrans-58.8-38175.1-77.8170.9000111.1V11 V22 I33 Y34 D35 G41 I43 H45 L72V11-L37 HydrophobicContact CG1-CD2 4.18Å; V11-L37 HydrophobicContact CG2-CD2 3.86Å; V11-L37 HydrophobicContact CG2-CG 3.96Å; V22-L37 HydrophobicContact CG2-CD1 4.22Å; V22-L37 HydrophobicContact CG2-CD2 4.35Å; I33-L37 WeakPolarHBondContact O-CG 3.44Å; I33-L37 PolarHBondContact O-N 2.87Å; Y34-L37 HydrophobicContact CD1-CD1 4.43Å; Y34-L37 PolarHBondContact O-N 2.79Å; D35-L37 PolarHBondContact O-N 3.46Å; L37-G41 WeakPolarHBondContact O-CA 3.49Å; L37-G41 PolarHBondContact O-N 3.35Å; L37-I43 HydrophobicContact CD2-CB 4.07Å; L37-I43 HydrophobicContact CD2-CG2 4.11Å; L37-H45 HydrophobicContact CD1-CB 4.44Å; L37-L72 HydrophobicContact CD1-CD2 3.91Å
38H94.5Very high96.5Very high163 Ų16345.1 Ų45.176%0.75527%0.269SS*.Hα-helixtrans-75.1-43.2177.8-174.163000113Y34 D35 A36Y34-H38 PolarHBondContact O-N 3.14Å; D35-H38 PolarHBondContact O-N 3.18Å; A36-H38 PolarHBondContact O-N 2.67Å
39T94.8Very high96.6Very high85 Ų8546.3 Ų46.352%0.52126%0.26SS..Hα-helixtrans-82.2-38.8-17252.50000113.6D35 A36D35-T39 WeakPolarHBondContact O-CG2 3.48Å; D35-T39 PolarHBondContact O-N 3.18Å; D35-T39 PolarHBondContact O-OG1 3.21Å; A36-T39 WeakPolarHBondContact CA-OG1 3.3Å; A36-T39 PolarHBondContact O-N 2.95Å; A36-T39 PolarHBondContact O-OG1 2.85Å
40V94.9Very high96.7Very high51 Ų5148.8 Ų48.831%0.30927%0.27SS..Hα-helixtrans-78.3-40.4174.7-178.90000110.4E8 V11 I15 A36E8-V40 HydrophobicContact CB-CG2 4.12Å; E8-V40 HydrophobicContact CG-CG2 3.85Å; V11-V40 HydrophobicContact CG1-CB 3.95Å; V11-V40 HydrophobicContact CG1-CG1 3.99Å; I15-V40 HydrophobicContact CD1-CG1 4.04Å; A36-V40 VanDerWaalsContact O-CB 3.26Å; A36-V40 WeakPolarHBondContact O-CB 3.41Å; A36-V40 WeakPolarHBondContact O-CG2 3.28Å; A36-V40 PolarHBondContact O-N 2.79Å
41G91.7Very high96.7Very high22 Ų2249.7 Ų49.723%0.22728%0.275CS..  trans67.6-170.6-177.600000113.9I15 L37 I43I15-G41 VanDerWaalsContact CD1-O 3.3Å; I15-G41 WeakPolarHBondContact CD1-O 3.46Å; L37-G41 WeakPolarHBondContact O-CA 3.49Å; L37-G41 PolarHBondContact O-N 3.35Å; G41-I43 VanDerWaalsContact C-N 3.34Å; G41-I43 PolarHBondContact O-N 2.83Å
42G93.2Very high96.8Very high70 Ų7046.6 Ų46.672%0.72226%0.257SS*.  trans85.2-3.8175.600000116
43I95.7Very high96.8Very high11 Ų1144.2 Ų44.26%0.05624%0.244CC..SBendtrans-128.7129.1173.7-62-176.4000109.1V11 L14 I15 K20 V22 L37 G41V11-I43 HydrophobicContact CG1-CD1 4.28Å; L14-I43 HydrophobicContact CB-CD1 3.29Å; L14-I43 HydrophobicContact CD1-CD1 4Å; L14-I43 HydrophobicContact CG-CD1 4.31Å; I15-I43 HydrophobicContact CG1-CD1 3.81Å; I15-I43 HydrophobicContact CG1-CG1 3.71Å; K20-I43 WeakPolarHBondContact O-CA 3.43Å; V22-I43 HydrophobicContact CB-CG2 4.39Å; V22-I43 HydrophobicContact CG1-CG2 3.84Å; V22-I43 HydrophobicContact CG2-CG2 3.87Å; L37-I43 HydrophobicContact CD2-CB 4.07Å; L37-I43 HydrophobicContact CD2-CG2 4.11Å; G41-I43 VanDerWaalsContact C-N 3.34Å; G41-I43 PolarHBondContact O-N 2.83Å
44D95.4Very high96.9Very high118 Ų11844.1 Ų44.163%0.63124%0.244SC*.EExtended strand (participates in β ladder)trans-80.6127.6174.9-66.5-38.1000110.8K20 Q21 V22K20-D44 PolarHBondContact O-N 3Å; Q21-D44 CarbonylContact C-O 3.5Å; Q21-D44 VanDerWaalsContact CA-O 3.22Å; Q21-D44 WeakPolarHBondContact CA-O 3.19Å; Q21-D44 HydrophobicContact CB-CB 4.42Å; V22-D44 PolarHBondContact N-O 3.31Å
45H97.2Very high96.9Very high41 Ų4142.3 Ų42.319%0.1924%0.237CC..EExtended strand (participates in β ladder)trans-93.6127.9172.3-178.8-86.7000110.9V22 G24 Y34 L37 Y464V22-H45 HydrophobicContact CG2-CB 4.29Å; G24-H45 PolarHBondContact O-CE1 3.01Å; G24-H45 VanDerWaalsContact O-CE1 3.3Å; G24-H45 PolarHBondContact O-NE2 2.75Å; Y34-H45 AromaticContact CE1-CD2 3.58Å; Y34-H45 AromaticContact CE1-CE1 3.64Å; Y34-H45 AromaticContact CE1-CG 3.97Å; Y34-H45 AromaticContact CE1-ND1 3.99Å; Y34-H45 AromaticContact CE1-NE2 3.39Å; Y34-H45 WeakPolarHBondContact CE1-NE2 3.39Å; Y34-H45 AromaticContact CZ-CD2 3.95Å; Y34-H45 AromaticContact CZ-NE2 3.5Å; Y34-H45 PolarHBondContact OH-NE2 2.79Å; L37-H45 HydrophobicContact CD1-CB 4.44Å; H45-Y464 PolarHBondContact O-OH 2.75Å; H45-Y464 VanDerWaalsContact O-OH 3.05Å
46V98.2Very high97Very high3 Ų338.2 Ų38.22%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-104.4107.3174.7-172.30000109.4V22 F23 G24 V48 M57 M435 Y464V22-V46 PolarHBondContact O-N 2.86Å; F23-V46 HydrophobicContact CD1-CB 3.67Å; F23-V46 HydrophobicContact CD1-CG1 3.85Å; F23-V46 HydrophobicContact CD1-CG2 3.97Å; F23-V46 HydrophobicContact CE1-CB 4.25Å; F23-V46 HydrophobicContact CE1-CG1 4.3Å; F23-V46 HydrophobicContact CE1-CG2 4.1Å; F23-V46 HydrophobicContact CG-CB 4.4Å; G24-V46 PolarHBondContact N-O 2.99Å; V46-V48 PolarHBondContact O-N 3.24Å; V46-M57 HydrophobicContact CG1-CE 3.8Å; V46-M435 HydrophobicContact CB-CE 4.3Å; V46-M435 HydrophobicContact CB-SD 4.19Å; V46-M435 HydrophobicContact CG1-CE 3.84Å; V46-M435 HydrophobicContact CG1-SD 3.58Å; V46-M435 VanDerWaalsContact CG1-SD 3.58Å; V46-M435 HydrophobicContact CG2-CE 3.49Å; V46-M435 VanDerWaalsContact CG2-CE 3.49Å; V46-M435 HydrophobicContact CG2-SD 3.56Å; V46-M435 VanDerWaalsContact CG2-SD 3.56Å; V46-Y464 WeakPolarHBondContact CA-OH 3.43Å; V46-Y464 HydrophobicContact CG1-CD2 4.05Å; V46-Y464 HydrophobicContact CG1-CE2 3.81Å
47L98.5Very high97.1Very high42 Ų4238.1 Ų38.122%0.2221%0.214CC..EExtended strand (participates in β ladder)trans-84.1108.6179.4-177.867.2000110.5Y25 P26 R49 Y464Y25-L47 HydrophobicContact CD2-CD1 4.27Å; P26-L47 VanDerWaalsContact CD-CD1 3.42Å; P26-L47 HydrophobicContact CG-CD1 4.28Å; L47-R49 PolarHBondContact O-NH2 2.6Å; L47-Y464 PolarHBondContact N-OH 3.29Å
48V98.7Very high97.1Very high0 Ų037.5 Ų37.50%021%0.211CC..  trans-85.3173.1174.6-60.20000111.7G24 Y25 V46 H50 A53 A54 M57G24-V48 PolarHBondContact O-N 3.2Å; Y25-V48 HydrophobicContact CD2-CG2 4.3Å; Y25-V48 WeakPolarHBondContact CD2-O 3.47Å; Y25-V48 VanDerWaalsContact CE2-O 3.26Å; Y25-V48 WeakPolarHBondContact CE2-O 3.4Å; V46-V48 PolarHBondContact O-N 3.24Å; V48-H50 WeakPolarHBondContact CG2-O 3.28Å; V48-A53 HydrophobicContact CB-CB 3.95Å; V48-A53 HydrophobicContact CG1-CB 4.16Å; V48-A53 HydrophobicContact CG2-CB 4.44Å; V48-A54 HydrophobicContact CG1-CB 4.19Å; V48-A54 HydrophobicContact CG2-CB 3.83Å; V48-M57 HydrophobicContact CG1-SD 3.62Å
49R98.5Very high97.3Very high70 Ų7029.7 Ų29.726%0.26418%0.175SC..SBendtrans-92.6-16.3171.4-55.6-61.1107.4-136.617.9113.2L47 Q456 E457L47-R49 PolarHBondContact O-NH2 2.6Å; R49-Q456 HydrophobicContact CB-CB 4.43Å; R49-Q456 HydrophobicContact CB-CG 3.75Å; R49-Q456 HydrophobicContact CG-CG 4.45Å; R49-E457 VanDerWaalsContact CA-OE1 3.25Å; R49-E457 WeakPolarHBondContact CA-OE1 3.3Å; R49-E457 VanDerWaalsContact CB-OE1 3.23Å; R49-E457 WeakPolarHBondContact CB-OE1 3.41Å; R49-E457 VanDerWaalsContact N-CD 3.34Å; R49-E457 PolarHBondContact N-OE1 3.38Å; R49-E457 PolarHBondContact N-OE2 2.89Å
50H98.7Very high97.5Very high58 Ų5825.7 Ų25.727%0.26915%0.15SC..SBendtrans-149.4143.1176.7-168.1-88.6000111.8V48 Q52 A53 A54 N81 E457V48-H50 WeakPolarHBondContact CG2-O 3.28Å; H50-Q52 VanDerWaalsContact C-N 3.27Å; H50-Q52 VanDerWaalsContact ND1-CB 3.29Å; H50-Q52 WeakPolarHBondContact ND1-CB 3.37Å; H50-Q52 PolarHBondContact ND1-N 3.24Å; H50-Q52 PolarHBondContact O-N 3.44Å; H50-A53 WeakPolarHBondContact O-CA 3.48Å; H50-A53 WeakPolarHBondContact O-CB 3.41Å; H50-A53 PolarHBondContact O-N 3.3Å; H50-A54 PolarHBondContact O-N 3.32Å; H50-N81 PolarHBondContact NE2-ND2 3.28Å; H50-E457 PolarHBondContact N-OE1 2.98Å
51E98.6Very high97.7Very high19 Ų1923.7 Ų23.79%0.08914%0.138CC..Hα-helixtrans-64.2-28.9-174.6-64.785.2168.500113.7A53 A54 V55 V73 G78 N81E51-A53 PolarHBondContact O-N 2.86Å; E51-A54 WeakPolarHBondContact O-CB 3.48Å; E51-A54 PolarHBondContact O-N 3.2Å; E51-A54 VanDerWaalsContact O-N 3.08Å; E51-V55 PolarHBondContact O-N 3.41Å; E51-V73 HydrophobicContact CB-CG1 3.72Å; E51-V73 HydrophobicContact CG-CB 4.17Å; E51-V73 HydrophobicContact CG-CG1 3.63Å; E51-G78 WeakPolarHBondContact OE1-CA 3.27Å; E51-N81 HydrophobicContact CB-CB 3.78Å; E51-N81 HydrophobicContact CG-CB 4.46Å; E51-N81 PolarHBondContact OE2-ND2 2.92Å
52Q98.7Very high98Very high34 Ų3422.7 Ų22.716%0.15913%0.127CC..Hα-helixtrans-55.2-37169.2-177.3177.7-18.400111.7H50 V55 H56H50-Q52 VanDerWaalsContact C-N 3.27Å; H50-Q52 VanDerWaalsContact ND1-CB 3.29Å; H50-Q52 WeakPolarHBondContact ND1-CB 3.37Å; H50-Q52 PolarHBondContact ND1-N 3.24Å; H50-Q52 PolarHBondContact O-N 3.44Å; Q52-V55 PolarHBondContact O-N 3.07Å; Q52-H56 PolarHBondContact NE2-NE2 3.03Å; Q52-H56 PolarHBondContact O-CD2 3.02Å; Q52-H56 PolarHBondContact O-N 3.03Å; Q52-H56 VanDerWaalsContact O-N 3.1Å
53A98.7Very high98.3Very high0 Ų020.3 Ų20.30%010%0.097CC..Hα-helixtrans-67.3-37.9176.300000112.6V48 H50 E51 V55 H56 M57 L428 E457V48-A53 HydrophobicContact CB-CB 3.95Å; V48-A53 HydrophobicContact CG1-CB 4.16Å; V48-A53 HydrophobicContact CG2-CB 4.44Å; H50-A53 WeakPolarHBondContact O-CA 3.48Å; H50-A53 WeakPolarHBondContact O-CB 3.41Å; H50-A53 PolarHBondContact O-N 3.3Å; E51-A53 PolarHBondContact O-N 2.86Å; A53-V55 VanDerWaalsContact C-N 3.28Å; A53-V55 PolarHBondContact O-N 3.12Å; A53-H56 PolarHBondContact O-N 3.47Å; A53-M57 WeakPolarHBondContact O-CB 3.42Å; A53-M57 VanDerWaalsContact O-CG 3.26Å; A53-M57 WeakPolarHBondContact O-CG 3.48Å; A53-M57 PolarHBondContact O-N 2.83Å; A53-L428 HydrophobicContact CB-CD1 4.33Å; A53-L428 HydrophobicContact CB-CD2 3.54Å; A53-L428 HydrophobicContact CB-CG 4.49Å; A53-E457 HydrophobicContact CB-CG 3.61Å; A53-E457 WeakPolarHBondContact CB-OE1 3.22Å
54A98.8Very high98.4Very high0 Ų020 Ų200%010%0.096CC..Hα-helixtrans-58.9-44.3175.900000111.1F23 V48 H50 E51 A58 V71F23-A54 HydrophobicContact CB-CB 3.92Å; F23-A54 WeakPolarHBondContact CB-O 3.24Å; V48-A54 HydrophobicContact CG1-CB 4.19Å; V48-A54 HydrophobicContact CG2-CB 3.83Å; H50-A54 PolarHBondContact O-N 3.32Å; E51-A54 WeakPolarHBondContact O-CB 3.48Å; E51-A54 PolarHBondContact O-N 3.2Å; E51-A54 VanDerWaalsContact O-N 3.08Å; A54-A58 WeakPolarHBondContact O-CB 3.15Å; A54-A58 PolarHBondContact O-N 3.38Å; A54-V71 HydrophobicContact CB-CG1 3.98Å
55V98.9Very high98.5Very high0 Ų016.4 Ų16.40%08%0.078CC..Hα-helixtrans-67.2-45.4179.3-169.70000111.9E51 Q52 A53 A58 D59 V71 A82 G85 L96E51-V55 PolarHBondContact O-N 3.41Å; Q52-V55 PolarHBondContact O-N 3.07Å; A53-V55 VanDerWaalsContact C-N 3.28Å; A53-V55 PolarHBondContact O-N 3.12Å; V55-A58 PolarHBondContact O-N 3.19Å; V55-D59 VanDerWaalsContact O-CB 3.3Å; V55-D59 WeakPolarHBondContact O-CB 3.39Å; V55-D59 PolarHBondContact O-N 2.86Å; V55-V71 HydrophobicContact CB-CG2 4.38Å; V55-V71 HydrophobicContact CG2-CG1 4Å; V55-V71 HydrophobicContact CG2-CG2 4.24Å; V55-A82 HydrophobicContact CG2-CB 3.69Å; V55-G85 VanDerWaalsContact CG1-CA 3.49Å; V55-L96 HydrophobicContact CG1-CD1 3.72Å
56H98.9Very high98.5Very high0 Ų016.2 Ų16.20%09%0.087CC..Hα-helixtrans-72.3-28.9-178.5-70.7-41.6000113.6Q52 A53 G60 T88 F425 L428Q52-H56 PolarHBondContact NE2-NE2 3.03Å; Q52-H56 PolarHBondContact O-CD2 3.02Å; Q52-H56 PolarHBondContact O-N 3.03Å; Q52-H56 VanDerWaalsContact O-N 3.1Å; A53-H56 PolarHBondContact O-N 3.47Å; H56-G60 PolarHBondContact O-N 3.09Å; H56-T88 PolarHBondContact CE1-OG1 3.47Å; H56-F425 HydrophobicContact CB-CD2 4.36Å; H56-F425 AromaticContact ND1-CD2 3.58Å; H56-L428 HydrophobicContact CB-CB 3.49Å; H56-L428 VanDerWaalsContact CB-CB 3.49Å; H56-L428 HydrophobicContact CB-CD1 3.51Å; H56-L428 HydrophobicContact CB-CG 4.14Å; H56-L428 VanDerWaalsContact CD2-CD1 3.42Å; H56-L428 WeakPolarHBondContact CD2-CD1 3.44Å
57M98.9Very high98.4Very high0 Ų021.1 Ų21.10%011%0.11CC..Hα-helixtrans-68.2-43.9169.8-72.2177.671.700111.1F23 V46 V48 A53 D59 G60 L61 L428 L431 G432 M435 T460F23-M57 HydrophobicContact CD1-CB 3.56Å; F23-M57 HydrophobicContact CD1-CE 3.91Å; F23-M57 HydrophobicContact CD1-CG 4.49Å; F23-M57 HydrophobicContact CD1-SD 4.32Å; F23-M57 HydrophobicContact CE1-CB 3.66Å; F23-M57 HydrophobicContact CE1-CE 3.82Å; F23-M57 HydrophobicContact CG-CB 4.11Å; F23-M57 HydrophobicContact CZ-CB 4.26Å; V46-M57 HydrophobicContact CG1-CE 3.8Å; V48-M57 HydrophobicContact CG1-SD 3.62Å; A53-M57 WeakPolarHBondContact O-CB 3.42Å; A53-M57 VanDerWaalsContact O-CG 3.26Å; A53-M57 WeakPolarHBondContact O-CG 3.48Å; A53-M57 PolarHBondContact O-N 2.83Å; M57-D59 VanDerWaalsContact C-N 3.29Å; M57-D59 PolarHBondContact O-N 3.36Å; M57-G60 PolarHBondContact O-N 3.5Å; M57-L61 PolarHBondContact O-N 3.02Å; M57-L428 HydrophobicContact CG-CB 4.29Å; M57-L428 VanDerWaalsContact CG-O 3.22Å; M57-L428 WeakPolarHBondContact CG-O 3.37Å; M57-L431 HydrophobicContact CE-CB 3.69Å; M57-L431 HydrophobicContact CG-CB 4.3Å; M57-L431 HydrophobicContact SD-CB 4.3Å; M57-G432 VanDerWaalsContact O-CA 3.3Å; M57-G432 WeakPolarHBondContact O-CA 3.43Å; M57-M435 HydrophobicContact CE-SD 3.87Å; M57-T460 HydrophobicContact CE-CG2 4.27Å; M57-T460 HydrophobicContact SD-CG2 4.24Å
58A98.9Very high98.4Very high0 Ų020.4 Ų20.40%011%0.107CC..Hα-helixtrans-61.5-38.9173.800000112.1F23 A54 V55 L61 A62 V71 L96F23-A58 HydrophobicContact CD2-CB 3.6Å; F23-A58 HydrophobicContact CE2-CB 3.97Å; F23-A58 HydrophobicContact CG-CB 4.4Å; A54-A58 WeakPolarHBondContact O-CB 3.15Å; A54-A58 PolarHBondContact O-N 3.38Å; V55-A58 PolarHBondContact O-N 3.19Å; A58-L61 PolarHBondContact O-N 3Å; A58-A62 WeakPolarHBondContact O-CB 3.5Å; A58-A62 PolarHBondContact O-N 2.95Å; A58-V71 HydrophobicContact CB-CG2 3.56Å; A58-L96 HydrophobicContact CB-CD2 3.79Å
59D98.8Very high98.4Very high0 Ų020.4 Ų20.40%011%0.107CC..Hα-helixtrans-62.5-48.1174.6-178.6-51.3000111.1V55 M57 L61 A62 R63 I94 L96 F425V55-D59 VanDerWaalsContact O-CB 3.3Å; V55-D59 WeakPolarHBondContact O-CB 3.39Å; V55-D59 PolarHBondContact O-N 2.86Å; M57-D59 VanDerWaalsContact C-N 3.29Å; M57-D59 PolarHBondContact O-N 3.36Å; D59-L61 PolarHBondContact O-N 3.25Å; D59-A62 PolarHBondContact O-N 3.23Å; D59-A62 VanDerWaalsContact O-N 3.15Å; D59-R63 WeakPolarHBondContact O-CG 3.43Å; D59-R63 PolarHBondContact O-N 3.44Å; D59-R63 VanDerWaalsContact OD1-CD 3.27Å; D59-R63 WeakPolarHBondContact OD1-CD 3.09Å; D59-R63 IonicContact OD1-CZ 3.5Å; D59-R63 IonicContact OD1-NE 2.65Å; D59-R63 PolarHBondContact OD1-NE 3.08Å; D59-R63 IonicContact OD1-NH2 3.08Å; D59-R63 PolarHBondContact OD1-NH2 3.29Å; D59-R63 IonicContact OD2-NE 2.74Å; D59-R63 IonicContact OD2-NH2 3.72Å; D59-R63 PolarHBondContact OD2-NH2 3.46Å; D59-I94 HydrophobicContact CB-CG2 4.4Å; D59-L96 HydrophobicContact CB-CD1 4.4Å; D59-F425 HydrophobicContact CB-CE2 4.46Å; D59-F425 WeakPolarHBondContact OD1-CE2 3.03Å
60G98.7Very high98.5Very high0 Ų017.1 Ų17.10%010%0.095CC..Hα-helixtrans-56.8-46.617500000113H56 M57 A62 R63 A64H56-G60 PolarHBondContact O-N 3.09Å; M57-G60 PolarHBondContact O-N 3.5Å; G60-A62 PolarHBondContact O-N 2.58Å; G60-R63 PolarHBondContact O-N 3.03Å; G60-A64 WeakPolarHBondContact O-CB 3.47Å; G60-A64 PolarHBondContact O-N 3Å
61L98.5Very high98.5Very high9 Ų914.4 Ų14.45%0.0478%0.082CC..Hα-helixtrans-57.2-48.8173.9176.1150.2000111.4Q21 F23 M57 A58 D59 R63 A64 T65 E67 A436Q21-L61 HydrophobicContact CG-CD1 4Å; F23-L61 HydrophobicContact CE2-CB 4.33Å; F23-L61 HydrophobicContact CE2-CD1 4.02Å; F23-L61 HydrophobicContact CZ-CB 4.24Å; F23-L61 HydrophobicContact CZ-CD1 3.96Å; M57-L61 PolarHBondContact O-N 3.02Å; A58-L61 PolarHBondContact O-N 3Å; D59-L61 PolarHBondContact O-N 3.25Å; L61-R63 VanDerWaalsContact C-N 3.32Å; L61-R63 PolarHBondContact O-N 2.64Å; L61-A64 PolarHBondContact O-N 3.21Å; L61-T65 WeakPolarHBondContact O-CB 3.31Å; L61-T65 PolarHBondContact O-N 2.93Å; L61-T65 PolarHBondContact O-OG1 3.39Å; L61-E67 HydrophobicContact CD2-CB 4.37Å; L61-A436 HydrophobicContact CB-CB 4.27Å; L61-A436 HydrophobicContact CD1-CB 3.82Å; L61-A436 HydrophobicContact CG-CB 3.72Å
62A98.6Very high98.5Very high1 Ų113.6 Ų13.61%0.0088%0.079CC..Hα-helixtrans-63.7-37.9-177.100000112.1A58 D59 G60 G66 E67 I94 P95 L96A58-A62 WeakPolarHBondContact O-CB 3.5Å; A58-A62 PolarHBondContact O-N 2.95Å; D59-A62 PolarHBondContact O-N 3.23Å; D59-A62 VanDerWaalsContact O-N 3.15Å; G60-A62 PolarHBondContact O-N 2.58Å; A62-G66 VanDerWaalsContact O-CA 3.25Å; A62-G66 WeakPolarHBondContact O-CA 3.32Å; A62-G66 PolarHBondContact O-N 2.94Å; A62-E67 VanDerWaalsContact CA-O 3.28Å; A62-E67 WeakPolarHBondContact CA-O 3.46Å; A62-E67 VanDerWaalsContact CB-O 3.25Å; A62-E67 WeakPolarHBondContact CB-O 3.34Å; A62-I94 HydrophobicContact CB-CG2 3.6Å; A62-P95 HydrophobicContact CB-CG 4.21Å; A62-L96 HydrophobicContact CB-CD2 4.39Å
63R98.6Very high98.5Very high21 Ų2112 Ų128%0.0797%0.071CC..Hα-helixtrans-67.2-43.2175.3-72176.1-170-118.111.9112.4D59 G60 L61 D92 I94 R412 I415 N416D59-R63 WeakPolarHBondContact O-CG 3.43Å; D59-R63 PolarHBondContact O-N 3.44Å; D59-R63 VanDerWaalsContact OD1-CD 3.27Å; D59-R63 WeakPolarHBondContact OD1-CD 3.09Å; D59-R63 IonicContact OD1-CZ 3.5Å; D59-R63 IonicContact OD1-NE 2.65Å; D59-R63 PolarHBondContact OD1-NE 3.08Å; D59-R63 IonicContact OD1-NH2 3.08Å; D59-R63 PolarHBondContact OD1-NH2 3.29Å; D59-R63 IonicContact OD2-NE 2.74Å; D59-R63 IonicContact OD2-NH2 3.72Å; D59-R63 PolarHBondContact OD2-NH2 3.46Å; G60-R63 PolarHBondContact O-N 3.03Å; L61-R63 VanDerWaalsContact C-N 3.32Å; L61-R63 PolarHBondContact O-N 2.64Å; R63-D92 IonicContact CZ-OD2 2.68Å; R63-D92 IonicContact NH1-OD2 3.97Å; R63-D92 PolarHBondContact NH1-OD2 2.64Å; R63-D92 IonicContact NH2-OD2 2.79Å; R63-D92 PolarHBondContact NH2-OD2 2.99Å; R63-I94 HydrophobicContact CG-CD1 3.57Å; R63-I94 HydrophobicContact CG-CG1 4.18Å; R63-I94 HydrophobicContact CG-CG2 4.28Å; R63-R412 WeakPolarHBondContact O-CD 3.26Å; R63-R412 WeakPolarHBondContact O-CG 3.43Å; R63-R412 PolarHBondContact O-NH1 2.94Å; R63-I415 HydrophobicContact CB-CD1 4.19Å; R63-I415 HydrophobicContact CB-CG1 4.01Å; R63-I415 HydrophobicContact CB-CG2 4.33Å; R63-N416 PolarHBondContact NH1-O 3.49Å
64A98.3Very high98.5Very high5 Ų512.3 Ų12.34%0.0417%0.073CC..Hα-helixtrans-68.4-39.4-178.300000112.7G60 L61 Y390 R412 I415 V433 L437G60-A64 WeakPolarHBondContact O-CB 3.47Å; G60-A64 PolarHBondContact O-N 3Å; L61-A64 PolarHBondContact O-N 3.21Å; A64-Y390 HydrophobicContact CB-CD1 4.29Å; A64-Y390 HydrophobicContact CB-CE1 4.06Å; A64-R412 WeakPolarHBondContact O-CD 3.36Å; A64-I415 HydrophobicContact CB-CD1 4.03Å; A64-V433 HydrophobicContact CB-CB 4.29Å; A64-V433 HydrophobicContact CB-CG1 3.95Å; A64-V433 HydrophobicContact CB-CG2 3.86Å; A64-L437 HydrophobicContact CB-CD1 4.04Å
65T97.6Very high98.4Very high42 Ų4212.4 Ų12.426%0.2587%0.074SC..Hα-helixtrans-104-30.3-170.961.30000114.1L61 E67 A436L61-T65 WeakPolarHBondContact O-CB 3.31Å; L61-T65 PolarHBondContact O-N 2.93Å; L61-T65 PolarHBondContact O-OG1 3.39Å; T65-E67 VanDerWaalsContact C-N 3.25Å; T65-E67 WeakPolarHBondContact OG1-CB 3.46Å; T65-E67 PolarHBondContact OG1-N 2.86Å; T65-A436 HydrophobicContact CG2-CB 3.68Å
66G96.1Very high98.4Very high37 Ų3712.7 Ų12.738%0.3818%0.076SC..SBendtrans81.80.5-166.500000114.1A62 R412A62-G66 VanDerWaalsContact O-CA 3.25Å; A62-G66 WeakPolarHBondContact O-CA 3.32Å; A62-G66 PolarHBondContact O-N 2.94Å; G66-R412 VanDerWaalsContact CA-NH1 3.29Å
67E97.4Very high98.4Very high105 Ų10515.7 Ų15.749%0.49110%0.096SC..SBendtrans-77.5163.4173.7-61.3-179-172.900111.3L61 A62 T65 G69L61-E67 HydrophobicContact CD2-CB 4.37Å; A62-E67 VanDerWaalsContact CA-O 3.28Å; A62-E67 WeakPolarHBondContact CA-O 3.46Å; A62-E67 VanDerWaalsContact CB-O 3.25Å; A62-E67 WeakPolarHBondContact CB-O 3.34Å; T65-E67 VanDerWaalsContact C-N 3.25Å; T65-E67 WeakPolarHBondContact OG1-CB 3.46Å; T65-E67 PolarHBondContact OG1-N 2.86Å; E67-G69 PolarHBondContact O-N 3.39Å
68V98.8Very high98.3Very high27 Ų2715.7 Ų15.716%0.16410%0.096CC..PPolyproline II helixtrans-79.5118176.2-177.10000109P95 V97 F146 A149 A150V68-P95 HydrophobicContact CG2-CB 4.13Å; V68-V97 HydrophobicContact CG1-CB 4.31Å; V68-V97 HydrophobicContact CG1-CG2 3.79Å; V68-F146 HydrophobicContact CB-CD1 3.8Å; V68-F146 HydrophobicContact CB-CE1 3.94Å; V68-F146 HydrophobicContact CG1-CD1 3.76Å; V68-F146 HydrophobicContact CG1-CE1 3.83Å; V68-F146 HydrophobicContact CG2-CD1 4.02Å; V68-A149 HydrophobicContact CG1-CB 4.04Å; V68-A150 HydrophobicContact CG2-CB 3.87Å
69G98.7Very high98.3Very high0 Ų015.7 Ų15.70%010%0.096CC..EExtended strand (participates in β ladder)trans-71.7139173.400000111.3E67 P95 L96 V97E67-G69 PolarHBondContact O-N 3.39Å; G69-P95 PolarHBondContact N-O 2.85Å; G69-L96 CarbonylContact O-C 3.32Å; G69-L96 VanDerWaalsContact O-CA 3.27Å; G69-L96 WeakPolarHBondContact O-CA 3.3Å; G69-V97 PolarHBondContact O-N 3.38Å
70V98.9Very high98.3Very high2 Ų218.5 Ų18.51%0.01211%0.113CC..EExtended strand (participates in β ladder)trans-117.5128.7-177.4-172.10000110.8L14 V19 V22 F23 V97 L99 F146L14-V70 HydrophobicContact CD2-CG1 4.07Å; V19-V70 HydrophobicContact CG1-CB 4.28Å; V19-V70 HydrophobicContact CG1-CG2 3.79Å; V19-V70 HydrophobicContact CG2-CG2 3.85Å; V22-V70 HydrophobicContact CG1-CB 4.03Å; V22-V70 HydrophobicContact CG1-CG1 3.7Å; F23-V70 PolarHBondContact N-O 3.3Å; V70-V97 WeakPolarHBondContact CA-O 3.5Å; V70-L99 HydrophobicContact CG1-CD1 4.37Å; V70-F146 HydrophobicContact CG2-CE1 3.77Å; V70-F146 HydrophobicContact CG2-CZ 3.57Å
71V98.9Very high98.3Very high0 Ų021 Ų210%013%0.126CC..EExtended strand (participates in β ladder)trans-118.5138.9-178.7-179.70000109.7F23 A54 V55 A58 V73 V97 V98 L99F23-V71 CarbonylContact O-C 3.57Å; F23-V71 VanDerWaalsContact O-CA 3.27Å; F23-V71 WeakPolarHBondContact O-CA 3.49Å; A54-V71 HydrophobicContact CB-CG1 3.98Å; V55-V71 HydrophobicContact CB-CG2 4.38Å; V55-V71 HydrophobicContact CG2-CG1 4Å; V55-V71 HydrophobicContact CG2-CG2 4.24Å; A58-V71 HydrophobicContact CB-CG2 3.56Å; V71-V73 HydrophobicContact CG1-CG1 3.84Å; V71-V97 PolarHBondContact N-O 2.79Å; V71-V98 HydrophobicContact CB-CB 4.38Å; V71-V98 HydrophobicContact CB-CG1 4.17Å; V71-V98 HydrophobicContact CB-CG2 4.14Å; V71-V98 HydrophobicContact CG1-CG1 4.16Å; V71-V98 HydrophobicContact CG2-CG2 4.3Å; V71-L99 WeakPolarHBondContact O-CB 3.46Å; V71-L99 PolarHBondContact O-N 3.37Å
72L98.7Very high98.3Very high3 Ų320.5 Ų20.52%0.01612%0.124CC..EExtended strand (participates in β ladder)trans-124.8114.8173.2178.361.1000110.6F23 G24 Y25 V30 I33 Y34 L37 L99F23-L72 PolarHBondContact O-N 3.42Å; G24-L72 WeakPolarHBondContact CA-O 3.38Å; Y25-L72 PolarHBondContact N-O 2.91Å; V30-L72 HydrophobicContact CB-CD1 4.37Å; V30-L72 HydrophobicContact CG1-CD1 4.1Å; I33-L72 HydrophobicContact CB-CD2 4.49Å; I33-L72 HydrophobicContact CD1-CD1 4.12Å; I33-L72 HydrophobicContact CG2-CD1 4.22Å; I33-L72 HydrophobicContact CG2-CD2 3.74Å; Y34-L72 HydrophobicContact CD2-CD2 4.03Å; Y34-L72 HydrophobicContact CE2-CD2 3.54Å; Y34-L72 HydrophobicContact CE2-CG 3.94Å; L37-L72 HydrophobicContact CD1-CD2 3.91Å; L72-L99 WeakPolarHBondContact CA-O 3.29Å; L72-L99 HydrophobicContact CD1-CB 3.88Å
73V98.5Very high98.3Very high0 Ų022.1 Ų22.10%013%0.132CC..EExtended strand (participates in β ladder)trans-130.5150.3179.8-64.20000111.3V30 E51 V71 V98 L99 S100 G101V30-V73 WeakPolarHBondContact CG1-O 3.49Å; E51-V73 HydrophobicContact CB-CG1 3.72Å; E51-V73 HydrophobicContact CG-CB 4.17Å; E51-V73 HydrophobicContact CG-CG1 3.63Å; V71-V73 HydrophobicContact CG1-CG1 3.84Å; V73-V98 HydrophobicContact CG2-CG1 4.29Å; V73-L99 PolarHBondContact N-O 3.2Å; V73-S100 CarbonylContact O-C 3.59Å; V73-S100 WeakPolarHBondContact O-CA 3.41Å; V73-G101 PolarHBondContact O-N 3.06Å
74T98.5Very high98.3Very high7 Ų724 Ų244%0.04315%0.146CC..  trans-74.3173.1173.7-167.30000112.4G27 A29 G78 A79G27-T74 WeakPolarHBondContact CA-OG1 3.33Å; A29-T74 PolarHBondContact N-OG1 3.25Å; T74-G78 CarbonylContact O-C 3.56Å; T74-A79 PolarHBondContact O-N 3.49Å
75S98.1Very high98.3Very high2 Ų223.7 Ų23.71%0.01414%0.144CC..THydrogen-bonded Turntrans-64.9171.3174.871.70000113.5A29 P77 G78 G101 Q114A29-S75 WeakPolarHBondContact CB-OG 3.43Å; S75-P77 VanDerWaalsContact O-CD 3.26Å; S75-P77 WeakPolarHBondContact O-CD 3.46Å; S75-G78 PolarHBondContact O-N 2.98Å; S75-G101 WeakPolarHBondContact CA-O 3.49Å; S75-G101 WeakPolarHBondContact CB-O 3.41Å; S75-G101 PolarHBondContact N-O 2.98Å; S75-Q114 CarbonylContact C-O 3.6Å; S75-Q114 WeakPolarHBondContact CB-O 3.48Å; S75-Q114 PolarHBondContact OG-O 3.28Å
76G97.8Very high98.4Very high5 Ų521.7 Ų21.75%0.05213%0.132CC..THydrogen-bonded Turntrans60.3-116.4171.900000111.9G78 A79 T80 Q114 C116G76-G78 VanDerWaalsContact C-N 3.32Å; G76-G78 PolarHBondContact O-N 2.83Å; G76-A79 PolarHBondContact O-N 2.78Å; G76-T80 PolarHBondContact O-N 3.2Å; G76-T80 PolarHBondContact O-OG1 3.33Å; G76-Q114 VanDerWaalsContact CA-O 3.26Å; G76-Q114 WeakPolarHBondContact CA-O 3.39Å; G76-Q114 PolarHBondContact N-O 3.07Å; G76-C116 VanDerWaalsContact CA-SG 3.53Å; G76-C116 PolarHBondContact N-SG 2.86Å; G76-C116 VanDerWaalsContact N-SG 3.44Å
77P98.3Very high98.5Very high63 Ų6320.4 Ų20.441%0.40912%0.117SC..Hα-helixtrans-59.7-38.3-17624.5-34.3000113.4S75 A79 T80 N81S75-P77 VanDerWaalsContact O-CD 3.26Å; S75-P77 WeakPolarHBondContact O-CD 3.46Å; P77-A79 PolarHBondContact O-N 2.87Å; P77-T80 VanDerWaalsContact CA-OG1 3.3Å; P77-T80 WeakPolarHBondContact CA-OG1 3.48Å; P77-T80 PolarHBondContact O-N 2.91Å; P77-T80 PolarHBondContact O-OG1 3.12Å; P77-N81 VanDerWaalsContact O-CB 3.29Å; P77-N81 WeakPolarHBondContact O-CB 3.42Å; P77-N81 PolarHBondContact O-N 2.95Å
78G98.2Very high98.6Very high0 Ų015.4 Ų15.40%09%0.094CC..Hα-helixtrans-64-43.4-17900000112.1E51 T74 S75 G76 N81 A82E51-G78 WeakPolarHBondContact OE1-CA 3.27Å; T74-G78 CarbonylContact O-C 3.56Å; S75-G78 PolarHBondContact O-N 2.98Å; G76-G78 VanDerWaalsContact C-N 3.32Å; G76-G78 PolarHBondContact O-N 2.83Å; G78-N81 PolarHBondContact O-N 3.37Å; G78-A82 PolarHBondContact O-N 3.35Å
79A98.1Very high98.6Very high0 Ų014.1 Ų14.10%09%0.086CC..Hα-helixtrans-63.2-45.117400000111.8T74 G76 P77 N81 A82 M118T74-A79 PolarHBondContact O-N 3.49Å; G76-A79 PolarHBondContact O-N 2.78Å; P77-A79 PolarHBondContact O-N 2.87Å; A79-N81 PolarHBondContact O-N 3.22Å; A79-A82 WeakPolarHBondContact O-CB 3.48Å; A79-A82 PolarHBondContact O-N 3.46Å; A79-M118 HydrophobicContact CB-CB 4.23Å; A79-M118 HydrophobicContact CB-CE 4.38Å; A79-M118 HydrophobicContact CB-CG 4.01Å; A79-M118 HydrophobicContact CB-SD 3.78Å
80T98.5Very high98.6Very high59 Ų5918.2 Ų18.236%0.36210%0.102SC..Hα-helixtrans-68.9-31.9178.9540000113.5G76 P77 A82 I83 C116 I121G76-T80 PolarHBondContact O-N 3.2Å; G76-T80 PolarHBondContact O-OG1 3.33Å; P77-T80 VanDerWaalsContact CA-OG1 3.3Å; P77-T80 WeakPolarHBondContact CA-OG1 3.48Å; P77-T80 PolarHBondContact O-N 2.91Å; P77-T80 PolarHBondContact O-OG1 3.12Å; T80-A82 PolarHBondContact O-N 3.1Å; T80-I83 WeakPolarHBondContact O-CB 3.2Å; T80-I83 WeakPolarHBondContact O-CG1 3.23Å; T80-I83 PolarHBondContact O-N 2.89Å; T80-C116 HydrophobicContact CG2-CB 4.39Å; T80-I121 HydrophobicContact CG2-CD1 4.06Å
81N98.7Very high98.5Very high52 Ų5221.3 Ų21.328%0.27812%0.117SC..Hα-helixtrans-66.4-22.5175.1-78.1-8.5000112.5H50 E51 P77 G78 A79H50-N81 PolarHBondContact NE2-ND2 3.28Å; E51-N81 HydrophobicContact CB-CB 3.78Å; E51-N81 HydrophobicContact CG-CB 4.46Å; E51-N81 PolarHBondContact OE2-ND2 2.92Å; P77-N81 VanDerWaalsContact O-CB 3.29Å; P77-N81 WeakPolarHBondContact O-CB 3.42Å; P77-N81 PolarHBondContact O-N 2.95Å; G78-N81 PolarHBondContact O-N 3.37Å; A79-N81 PolarHBondContact O-N 3.22Å
82A98.5Very high98.5Very high0 Ų021.9 Ų21.90%012%0.12CC..THydrogen-bonded Turntrans-78.1-17178.100000113.7V55 G78 A79 T80 T84 G85 I86V55-A82 HydrophobicContact CG2-CB 3.69Å; G78-A82 PolarHBondContact O-N 3.35Å; A79-A82 WeakPolarHBondContact O-CB 3.48Å; A79-A82 PolarHBondContact O-N 3.46Å; T80-A82 PolarHBondContact O-N 3.1Å; A82-T84 PolarHBondContact O-N 2.84Å; A82-G85 PolarHBondContact O-N 3.4Å; A82-G85 VanDerWaalsContact O-N 3.1Å; A82-I86 HydrophobicContact CB-CD1 4.04Å; A82-I86 WeakPolarHBondContact O-CG1 3.25Å; A82-I86 PolarHBondContact O-N 2.95Å
83I98.7Very high98.5Very high34 Ų3422.8 Ų22.817%0.17413%0.127CC..Hα-helixtrans-62.2-41.4-167.6-64.9-62.9000113.1T80 G85 I86 A87 M118 I121T80-I83 WeakPolarHBondContact O-CB 3.2Å; T80-I83 WeakPolarHBondContact O-CG1 3.23Å; T80-I83 PolarHBondContact O-N 2.89Å; I83-G85 VanDerWaalsContact C-N 3.29Å; I83-G85 PolarHBondContact O-N 3.33Å; I83-I86 HydrophobicContact CD1-CD1 4.25Å; I83-I86 PolarHBondContact O-N 3.43Å; I83-A87 WeakPolarHBondContact O-CB 3.17Å; I83-A87 PolarHBondContact O-N 2.84Å; I83-M118 HydrophobicContact CD1-CE 3.97Å; I83-M118 HydrophobicContact CD1-SD 3.78Å; I83-I121 HydrophobicContact CD1-CG2 3.65Å; I83-I121 HydrophobicContact CG1-CG2 3.76Å
84T98.8Very high98.5Very high60 Ų6023.3 Ų23.337%0.36813%0.13SC..Hα-helixtrans-61-40.4177-600000111.5A82 T88 T422A82-T84 PolarHBondContact O-N 2.84Å; T84-T88 WeakPolarHBondContact O-CB 3.32Å; T84-T88 PolarHBondContact O-N 2.96Å; T84-T88 PolarHBondContact O-OG1 2.97Å; T84-T422 HydrophobicContact CG2-CG2 3.65Å
85G98.7Very high98.5Very high0 Ų023.6 Ų23.60%013%0.132CC..Hα-helixtrans-65.7-45.5175.300000112.4V55 A82 I83 A87 T88 A89V55-G85 VanDerWaalsContact CG1-CA 3.49Å; A82-G85 PolarHBondContact O-N 3.4Å; A82-G85 VanDerWaalsContact O-N 3.1Å; I83-G85 VanDerWaalsContact C-N 3.29Å; I83-G85 PolarHBondContact O-N 3.33Å; G85-A87 VanDerWaalsContact C-N 3.33Å; G85-A87 PolarHBondContact O-N 3.46Å; G85-T88 WeakPolarHBondContact O-CB 3.49Å; G85-T88 PolarHBondContact O-N 3.31Å; G85-T88 VanDerWaalsContact O-N 3.15Å; G85-A89 PolarHBondContact O-N 3.38Å
86I98.9Very high98.6Very high0 Ų023.5 Ų23.50%013%0.131CC..Hα-helixtrans-58-47.2176.3-70.8164.3000110.3A82 I83 T88 A89 Y90 V98 M118 V125 V126 P156 V158A82-I86 HydrophobicContact CB-CD1 4.04Å; A82-I86 WeakPolarHBondContact O-CG1 3.25Å; A82-I86 PolarHBondContact O-N 2.95Å; I83-I86 HydrophobicContact CD1-CD1 4.25Å; I83-I86 PolarHBondContact O-N 3.43Å; I86-T88 VanDerWaalsContact C-N 3.32Å; I86-T88 PolarHBondContact O-N 2.95Å; I86-A89 PolarHBondContact O-N 3.17Å; I86-Y90 WeakPolarHBondContact O-CB 3.08Å; I86-Y90 PolarHBondContact O-N 3.46Å; I86-V98 HydrophobicContact CD1-CG1 4.29Å; I86-V98 HydrophobicContact CD1-CG2 4.24Å; I86-V98 HydrophobicContact CG1-CG2 3.94Å; I86-M118 HydrophobicContact CD1-CE 3.5Å; I86-M118 VanDerWaalsContact CD1-CE 3.5Å; I86-V125 HydrophobicContact CG2-CG2 4.11Å; I86-V125 WeakPolarHBondContact CG2-O 3.42Å; I86-V126 HydrophobicContact CG2-CB 4.36Å; I86-P156 HydrophobicContact CG2-CB 4.23Å; I86-P156 HydrophobicContact CG2-CG 4.06Å; I86-P156 WeakPolarHBondContact O-CG 3.28Å; I86-V158 HydrophobicContact CD1-CG2 4.02Å
87A98.8Very high98.6Very high10 Ų1023.3 Ų23.38%0.08313%0.129CC..Hα-helixtrans-64-36177.700000113.2I83 G85 Y90 M91 V125 L420I83-A87 WeakPolarHBondContact O-CB 3.17Å; I83-A87 PolarHBondContact O-N 2.84Å; G85-A87 VanDerWaalsContact C-N 3.33Å; G85-A87 PolarHBondContact O-N 3.46Å; A87-Y90 PolarHBondContact O-N 2.86Å; A87-M91 WeakPolarHBondContact O-CB 3.46Å; A87-M91 VanDerWaalsContact O-CG 3.28Å; A87-M91 WeakPolarHBondContact O-CG 3.18Å; A87-M91 PolarHBondContact O-N 2.98Å; A87-V125 HydrophobicContact CB-CB 3.81Å; A87-V125 HydrophobicContact CB-CG1 3.79Å; A87-V125 HydrophobicContact CB-CG2 4.17Å; A87-L420 HydrophobicContact CB-CD2 3.62Å
88T98.8Very high98.6Very high0 Ų020.3 Ų20.30%011%0.109CC..Hα-helixtrans-62.2-51.8175-57.50000110.4H56 T84 G85 I86 Y90 M91 D92 T422 F425H56-T88 PolarHBondContact CE1-OG1 3.47Å; T84-T88 WeakPolarHBondContact O-CB 3.32Å; T84-T88 PolarHBondContact O-N 2.96Å; T84-T88 PolarHBondContact O-OG1 2.97Å; G85-T88 WeakPolarHBondContact O-CB 3.49Å; G85-T88 PolarHBondContact O-N 3.31Å; G85-T88 VanDerWaalsContact O-N 3.15Å; I86-T88 VanDerWaalsContact C-N 3.32Å; I86-T88 PolarHBondContact O-N 2.95Å; T88-Y90 VanDerWaalsContact C-N 3.32Å; T88-Y90 PolarHBondContact O-N 3.08Å; T88-M91 PolarHBondContact O-N 2.95Å; T88-D92 PolarHBondContact O-N 3.27Å; T88-D92 VanDerWaalsContact O-N 3.14Å; T88-T422 PolarHBondContact OG1-OG1 3.38Å; T88-F425 HydrophobicContact CG2-CD2 4.21Å; T88-F425 HydrophobicContact CG2-CE2 4.35Å
89A98.8Very high98.7Very high0 Ų020.4 Ų20.40%011%0.11CC..Hα-helixtrans-60.7-39.617800000112.4G85 I86 D92 S93 I94 L96 P156G85-A89 PolarHBondContact O-N 3.38Å; I86-A89 PolarHBondContact O-N 3.17Å; A89-D92 CarbonylContact O-C 3.55Å; A89-D92 PolarHBondContact O-N 3.49Å; A89-S93 WeakPolarHBondContact O-CA 3.36Å; A89-S93 PolarHBondContact O-N 3.31Å; A89-I94 HydrophobicContact CB-CB 3.95Å; A89-I94 PolarHBondContact O-N 3.35Å; A89-L96 HydrophobicContact CB-CD1 3.42Å; A89-L96 VanDerWaalsContact CB-CD1 3.42Å; A89-L96 HydrophobicContact CB-CG 4.08Å; A89-P156 HydrophobicContact CB-CB 4.35Å; A89-P156 HydrophobicContact CB-CG 4.19Å
90Y98.7Very high98.7Very high86 Ų8620.4 Ų20.434%0.33711%0.11SC..Hα-helixtrans-64.7-45.8177.8178.2-99.9000112.9I86 A87 T88 D92 S93 V125I86-Y90 WeakPolarHBondContact O-CB 3.08Å; I86-Y90 PolarHBondContact O-N 3.46Å; A87-Y90 PolarHBondContact O-N 2.86Å; T88-Y90 VanDerWaalsContact C-N 3.32Å; T88-Y90 PolarHBondContact O-N 3.08Å; Y90-D92 VanDerWaalsContact C-N 3.26Å; Y90-D92 PolarHBondContact O-N 2.9Å; Y90-S93 PolarHBondContact O-N 3.17Å; Y90-V125 WeakPolarHBondContact CB-O 3.49Å
91M98.2Very high98.7Very high66 Ų6617.6 Ų17.633%0.3259%0.092SC..Hα-helixtrans-65.2-32.9179.9-71-64.2-72.400112.2A87 T88 R153 L420A87-M91 WeakPolarHBondContact O-CB 3.46Å; A87-M91 VanDerWaalsContact O-CG 3.28Å; A87-M91 WeakPolarHBondContact O-CG 3.18Å; A87-M91 PolarHBondContact O-N 2.98Å; T88-M91 PolarHBondContact O-N 2.95Å; M91-R153 PolarHBondContact O-NH2 3.46Å; M91-L420 HydrophobicContact CB-CB 4.21Å; M91-L420 HydrophobicContact CG-CB 4.12Å; M91-L420 HydrophobicContact CG-CD1 4.35Å
92D98.5Very high98.7Very high13 Ų1315.4 Ų15.47%0.078%0.08CC..Hα-helixtrans-97.7-0.1-179.3-74.8-14.3000114.6R63 T88 A89 Y90 I94 M242 G418 G419R63-D92 IonicContact CZ-OD2 2.68Å; R63-D92 IonicContact NH1-OD2 3.97Å; R63-D92 PolarHBondContact NH1-OD2 2.64Å; R63-D92 IonicContact NH2-OD2 2.79Å; R63-D92 PolarHBondContact NH2-OD2 2.99Å; T88-D92 PolarHBondContact O-N 3.27Å; T88-D92 VanDerWaalsContact O-N 3.14Å; A89-D92 CarbonylContact O-C 3.55Å; A89-D92 PolarHBondContact O-N 3.49Å; Y90-D92 VanDerWaalsContact C-N 3.26Å; Y90-D92 PolarHBondContact O-N 2.9Å; D92-I94 HydrophobicContact CB-CD1 4.2Å; D92-I94 HydrophobicContact CB-CG1 3.94Å; D92-M242 HydrophobicContact CB-CE 3.86Å; D92-G418 PolarHBondContact OD2-N 2.88Å; D92-G419 WeakPolarHBondContact OD1-CA 3.36Å; D92-G419 PolarHBondContact OD1-N 3.41Å
93S98.6Very high98.6Very high21 Ų2115.8 Ų15.815%0.1478%0.083CC..THydrogen-bonded Turntrans65.146.7177.5-27.70000113.8A89 Y90 R153 P154A89-S93 WeakPolarHBondContact O-CA 3.36Å; A89-S93 PolarHBondContact O-N 3.31Å; Y90-S93 PolarHBondContact O-N 3.17Å; S93-R153 PolarHBondContact OG-NE 3.38Å; S93-R153 PolarHBondContact OG-NH2 2.96Å; S93-P154 CarbonylContact C-O 3.59Å; S93-P154 VanDerWaalsContact C-O 3.3Å; S93-P154 WeakPolarHBondContact CA-O 3.18Å; S93-P154 WeakPolarHBondContact CB-O 3.42Å; S93-P154 WeakPolarHBondContact O-CB 3.31Å
94I98.8Very high98.6Very high12 Ų1214.7 Ų14.76%0.0628%0.079CC..  trans-98.7127.9-176.2-51.5-51.3000110.3D59 A62 R63 A89 D92 L96 G155D59-I94 HydrophobicContact CB-CG2 4.4Å; A62-I94 HydrophobicContact CB-CG2 3.6Å; R63-I94 HydrophobicContact CG-CD1 3.57Å; R63-I94 HydrophobicContact CG-CG1 4.18Å; R63-I94 HydrophobicContact CG-CG2 4.28Å; A89-I94 HydrophobicContact CB-CB 3.95Å; A89-I94 PolarHBondContact O-N 3.35Å; D92-I94 HydrophobicContact CB-CD1 4.2Å; D92-I94 HydrophobicContact CB-CG1 3.94Å; I94-L96 PolarHBondContact O-N 2.69Å; I94-G155 CarbonylContact O-C 3.54Å; I94-G155 WeakPolarHBondContact O-CA 3.44Å
95P98.7Very high98.5Very high13 Ų1314.7 Ų14.78%0.0848%0.079CC..  trans-73.6112.7-177.827.6-31.5000111.1A62 V68 G69 A149 P154A62-P95 HydrophobicContact CB-CG 4.21Å; V68-P95 HydrophobicContact CG2-CB 4.13Å; G69-P95 PolarHBondContact N-O 2.85Å; P95-A149 WeakPolarHBondContact CB-O 3.33Å; P95-P154 HydrophobicContact CB-CB 3.96Å; P95-P154 HydrophobicContact CG-CB 4.22Å
96L98.9Very high98.4Very high0 Ų018.8 Ų18.80%011%0.107CC..EExtended strand (participates in β ladder)trans-131.2147.6174.1-60.5-179.9000111.4V55 A58 D59 A62 G69 A89 I94 A149 G155 P156 V157V55-L96 HydrophobicContact CG1-CD1 3.72Å; A58-L96 HydrophobicContact CB-CD2 3.79Å; D59-L96 HydrophobicContact CB-CD1 4.4Å; A62-L96 HydrophobicContact CB-CD2 4.39Å; G69-L96 CarbonylContact O-C 3.32Å; G69-L96 VanDerWaalsContact O-CA 3.27Å; G69-L96 WeakPolarHBondContact O-CA 3.3Å; A89-L96 HydrophobicContact CB-CD1 3.42Å; A89-L96 VanDerWaalsContact CB-CD1 3.42Å; A89-L96 HydrophobicContact CB-CG 4.08Å; I94-L96 PolarHBondContact O-N 2.69Å; L96-A149 WeakPolarHBondContact O-CB 3.43Å; L96-G155 PolarHBondContact N-O 3.14Å; L96-P156 HydrophobicContact CB-CB 4.08Å; L96-P156 CarbonylContact O-C 3.4Å; L96-P156 WeakPolarHBondContact O-CA 3.44Å; L96-V157 PolarHBondContact O-N 3.03Å
97V98.9Very high98.3Very high0 Ų022.5 Ų22.50%013%0.127CC..EExtended strand (participates in β ladder)trans-117.3114.7162.7171.70000108.2V68 G69 V70 V71 L99 A145 F146 A149 V157 V159V68-V97 HydrophobicContact CG1-CB 4.31Å; V68-V97 HydrophobicContact CG1-CG2 3.79Å; G69-V97 PolarHBondContact O-N 3.38Å; V70-V97 WeakPolarHBondContact CA-O 3.5Å; V71-V97 PolarHBondContact N-O 2.79Å; V97-L99 HydrophobicContact CG1-CD2 3.81Å; V97-A145 HydrophobicContact CG1-CB 4.4Å; V97-A145 HydrophobicContact CG2-CB 4.22Å; V97-F146 HydrophobicContact CB-CE2 4.28Å; V97-F146 HydrophobicContact CB-CZ 4.21Å; V97-F146 HydrophobicContact CG1-CE2 4.13Å; V97-F146 HydrophobicContact CG1-CZ 4.44Å; V97-F146 HydrophobicContact CG2-CD1 4.19Å; V97-F146 HydrophobicContact CG2-CD2 4.04Å; V97-F146 HydrophobicContact CG2-CE1 4.28Å; V97-F146 HydrophobicContact CG2-CE2 4.13Å; V97-F146 HydrophobicContact CG2-CG 4.06Å; V97-F146 HydrophobicContact CG2-CZ 4.24Å; V97-A149 HydrophobicContact CG2-CB 4.02Å; V97-V157 WeakPolarHBondContact CA-O 3.18Å; V97-V159 HydrophobicContact CG1-CG2 4.4Å
98V98.9Very high98.2Very high0 Ų024.8 Ų24.80%014%0.137CC..EExtended strand (participates in β ladder)trans-102.9110.8179.1-175.80000109V71 V73 I86 V157 V158 V159V71-V98 HydrophobicContact CB-CB 4.38Å; V71-V98 HydrophobicContact CB-CG1 4.17Å; V71-V98 HydrophobicContact CB-CG2 4.14Å; V71-V98 HydrophobicContact CG1-CG1 4.16Å; V71-V98 HydrophobicContact CG2-CG2 4.3Å; V73-V98 HydrophobicContact CG2-CG1 4.29Å; I86-V98 HydrophobicContact CD1-CG1 4.29Å; I86-V98 HydrophobicContact CD1-CG2 4.24Å; I86-V98 HydrophobicContact CG1-CG2 3.94Å; V98-V157 PolarHBondContact N-O 2.91Å; V98-V158 HydrophobicContact CB-CG2 4.22Å; V98-V158 CarbonylContact O-C 3.59Å; V98-V158 WeakPolarHBondContact O-CA 3.27Å; V98-V159 PolarHBondContact O-N 2.71Å
99L98.8Very high98Very high2 Ų227.9 Ų27.91%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-86.6111.7172.6-50.7-178.9000108V10 L14 V70 V71 L72 V73 V97 L142 V159 L161V10-L99 HydrophobicContact CG1-CD1 3.93Å; L14-L99 HydrophobicContact CD1-CD1 4.05Å; L14-L99 HydrophobicContact CD2-CD1 4.45Å; V70-L99 HydrophobicContact CG1-CD1 4.37Å; V71-L99 WeakPolarHBondContact O-CB 3.46Å; V71-L99 PolarHBondContact O-N 3.37Å; L72-L99 WeakPolarHBondContact CA-O 3.29Å; L72-L99 HydrophobicContact CD1-CB 3.88Å; V73-L99 PolarHBondContact N-O 3.2Å; V97-L99 HydrophobicContact CG1-CD2 3.81Å; L99-L142 HydrophobicContact CD2-CD2 3.59Å; L99-V159 WeakPolarHBondContact CA-O 3.47Å; L99-V159 HydrophobicContact CD2-CB 3.98Å; L99-V159 HydrophobicContact CD2-CG2 4.41Å; L99-L161 HydrophobicContact CB-CD1 4.28Å
100S98.4Very high97.9Very high0 Ų036.3 Ų36.30%020%0.202CC..EExtended strand (participates in β ladder)trans-107.2128.3173.853.80000110V73 V159 D160 L161V73-S100 CarbonylContact O-C 3.59Å; V73-S100 WeakPolarHBondContact O-CA 3.41Å; S100-V159 PolarHBondContact N-O 2.74Å; S100-D160 WeakPolarHBondContact CB-OD1 3.28Å; S100-D160 CarbonylContact O-C 3.58Å; S100-D160 WeakPolarHBondContact O-CA 3.35Å; S100-D160 WeakPolarHBondContact OG-CA 3.3Å; S100-D160 PolarHBondContact OG-OD1 3.44Å; S100-L161 PolarHBondContact O-N 2.99Å
101G98.2Very high97.8Very high0 Ų040 Ų400%023%0.227CC..EExtended strand (participates in β ladder)trans-68.7155.4166.800000111V73 S75 L161V73-G101 PolarHBondContact O-N 3.06Å; S75-G101 WeakPolarHBondContact CA-O 3.49Å; S75-G101 WeakPolarHBondContact CB-O 3.41Å; S75-G101 PolarHBondContact N-O 2.98Å; G101-L161 CarbonylContact C-O 3.57Å; G101-L161 WeakPolarHBondContact CA-O 3.49Å
102Q98.4Very high97.7Very high6 Ų638 Ų383%0.02822%0.221CC..EExtended strand (participates in β ladder)trans-136.2159.4176.8-174.857.7-90.200110.6I108 C116 D160 L161 P162 K163Q102-I108 HydrophobicContact CG-CD1 3.93Å; Q102-I108 HydrophobicContact CG-CG1 4.16Å; Q102-C116 PolarHBondContact NE2-O 3.46Å; Q102-D160 PolarHBondContact NE2-OD2 3.15Å; Q102-L161 PolarHBondContact N-O 3.1Å; Q102-P162 HydrophobicContact CB-CG 4.39Å; Q102-K163 PolarHBondContact O-N 3.37Å
103V97.9Very high97.7Very high9 Ų945.6 Ų45.66%0.05525%0.254CS..  trans-56.7163167.6-59.10000110.8L107 I108 A112 F113 E115 P162V103-L107 HydrophobicContact CB-CB 4.27Å; V103-L107 HydrophobicContact CG2-CB 4.03Å; V103-I108 HydrophobicContact CG2-CG1 3.82Å; V103-A112 HydrophobicContact CG1-CB 4.21Å; V103-A112 HydrophobicContact CG2-CB 4.46Å; V103-F113 WeakPolarHBondContact CG1-O 3.4Å; V103-E115 HydrophobicContact CG1-CB 3.87Å; V103-E115 HydrophobicContact CG1-CG 4.44Å; V103-E115 HydrophobicContact CG2-CB 4.22Å; V103-E115 HydrophobicContact CG2-CG 3.93Å; V103-P162 WeakPolarHBondContact O-CB 3.38Å
104A97.3Very high97.7Very high10 Ų1047.7 Ų47.78%0.08326%0.261CS..  trans-57.2146.4178.700000110.6S106 L107 I108 K163 D164A104-S106 PolarHBondContact O-N 3.23Å; A104-L107 HydrophobicContact CB-CD1 4.42Å; A104-L107 WeakPolarHBondContact O-CA 3.42Å; A104-L107 WeakPolarHBondContact O-CB 3.26Å; A104-L107 PolarHBondContact O-N 3.2Å; A104-I108 PolarHBondContact O-N 3.5Å; A104-K163 HydrophobicContact CB-CG 4.12Å; A104-D164 VanDerWaalsContact CA-OD1 3.23Å; A104-D164 WeakPolarHBondContact CA-OD1 3.22Å; A104-D164 HydrophobicContact CB-CB 3.98Å
105T96.9Very high97.6Very high60 Ų6049.1 Ų49.137%0.36827%0.268SS..G310 helixtrans-52.1-35.1-17760.50000113.1L107 I108 P162 D164 I165T105-L107 PolarHBondContact O-N 3.12Å; T105-I108 PolarHBondContact O-N 2.84Å; T105-P162 HydrophobicContact CG2-CB 3.61Å; T105-P162 HydrophobicContact CG2-CG 3.83Å; T105-D164 WeakPolarHBondContact CB-OD2 3.39Å; T105-D164 WeakPolarHBondContact CG2-OD2 3.48Å; T105-D164 VanDerWaalsContact N-CG 3.33Å; T105-D164 PolarHBondContact N-OD1 3.25Å; T105-D164 PolarHBondContact N-OD2 3.43Å; T105-D164 PolarHBondContact OG1-OD2 3.06Å; T105-I165 HydrophobicContact CG2-CG2 4.24Å
106S96.5Very high97.5Very high86 Ų8649.4 Ų49.460%0.60127%0.27SS*.G310 helixtrans-70-13.4177.966.10000115A104A104-S106 PolarHBondContact O-N 3.23Å
107L96.9Very high97.4Very high78 Ų7854.4 Ų54.441%0.40830%0.297SS..G310 helixtrans-107-9.7-178.6-64.6179000112.8V103 A104 T105 G109 Y110 A112V103-L107 HydrophobicContact CB-CB 4.27Å; V103-L107 HydrophobicContact CG2-CB 4.03Å; A104-L107 HydrophobicContact CB-CD1 4.42Å; A104-L107 WeakPolarHBondContact O-CA 3.42Å; A104-L107 WeakPolarHBondContact O-CB 3.26Å; A104-L107 PolarHBondContact O-N 3.2Å; T105-L107 PolarHBondContact O-N 3.12Å; L107-G109 PolarHBondContact O-N 2.82Å; L107-Y110 WeakPolarHBondContact O-CB 3.42Å; L107-Y110 PolarHBondContact O-N 2.91Å; L107-A112 HydrophobicContact CB-CB 3.88Å; L107-A112 HydrophobicContact CD1-CB 4.37Å
108I96.8Very high97.4Very high59 Ų5954.5 Ų54.530%0.30330%0.297SS..THydrogen-bonded Turntrans-63.7126.3176.8-62.1176.4000109.1Q102 V103 A104 T105 E115 L131 P162Q102-I108 HydrophobicContact CG-CD1 3.93Å; Q102-I108 HydrophobicContact CG-CG1 4.16Å; V103-I108 HydrophobicContact CG2-CG1 3.82Å; A104-I108 PolarHBondContact O-N 3.5Å; T105-I108 PolarHBondContact O-N 2.84Å; I108-E115 WeakPolarHBondContact CA-OE1 3.48Å; I108-L131 HydrophobicContact CD1-CD1 4.31Å; I108-L131 HydrophobicContact CD1-CD2 4.43Å; I108-P162 HydrophobicContact CD1-CG 4.23Å
109G95.9Very high97.3Very high64 Ų6456.4 Ų56.466%0.6631%0.308SS*.THydrogen-bonded Turntrans91.310.8-177.700000114.8L107 E115L107-G109 PolarHBondContact O-N 2.82Å; G109-E115 PolarHBondContact N-OE1 2.89Å
110Y96.5Very high97.2Very high178 Ų17857.7 Ų57.770%0.69832%0.322SS*.THydrogen-bonded Turntrans-116.115.6-175.4-70.5-86.3000114.3L107 A112 E115L107-Y110 WeakPolarHBondContact O-CB 3.42Å; L107-Y110 PolarHBondContact O-N 2.91Å; Y110-A112 PolarHBondContact O-N 2.83Å; Y110-E115 PolarHBondContact N-OE2 3.32Å
111D95.9Very high97.2Very high163 Ų16361.2 Ų61.287%0.87234%0.34SS*.THydrogen-bonded Turntrans53.441.9-175.4-60-53.2000111.6E115D111-E115 WeakPolarHBondContact CA-OE2 3.39Å; D111-E115 PolarHBondContact N-OE2 3.4Å
112A97.1Very high97.2Very high23 Ų2361.2 Ų61.219%0.1934%0.34CS..  trans-68.5164-175.500000112.1V103 L107 Y110 Q114 E115V103-A112 HydrophobicContact CG1-CB 4.21Å; V103-A112 HydrophobicContact CG2-CB 4.46Å; L107-A112 HydrophobicContact CB-CB 3.88Å; L107-A112 HydrophobicContact CD1-CB 4.37Å; Y110-A112 PolarHBondContact O-N 2.83Å; A112-Q114 PolarHBondContact O-N 2.86Å; A112-E115 HydrophobicContact CB-CB 4.15Å; A112-E115 PolarHBondContact N-OE2 2.93Å; A112-E115 VanDerWaalsContact O-CB 3.25Å; A112-E115 WeakPolarHBondContact O-CB 3.4Å; A112-E115 PolarHBondContact O-N 3.46Å
113F97.5Very high97.2Very high174 Ų17470.2 Ų70.276%0.76337%0.374SS*.THydrogen-bonded Turntrans-59124.1178.4176.1-105.6000111.4V103 E115V103-F113 WeakPolarHBondContact CG1-O 3.4Å; F113-E115 PolarHBondContact O-N 3.16Å
114Q97.9Very high97.2Very high64 Ų6474.3 Ų74.330%0.29940%0.401SS..THydrogen-bonded Turntrans56.129.5-174.6-62.9-176.5-37.100113.9S75 G76 A112S75-Q114 CarbonylContact C-O 3.6Å; S75-Q114 WeakPolarHBondContact CB-O 3.48Å; S75-Q114 PolarHBondContact OG-O 3.28Å; G76-Q114 VanDerWaalsContact CA-O 3.26Å; G76-Q114 WeakPolarHBondContact CA-O 3.39Å; G76-Q114 PolarHBondContact N-O 3.07Å; A112-Q114 PolarHBondContact O-N 2.86Å
115E98.1Very high97.3Very high43 Ų4375.4 Ų75.420%0.20141%0.406CS..  trans-77.9140166.8-172.5-179.1-17800110.7V103 I108 G109 Y110 D111 A112 F113V103-E115 HydrophobicContact CG1-CB 3.87Å; V103-E115 HydrophobicContact CG1-CG 4.44Å; V103-E115 HydrophobicContact CG2-CB 4.22Å; V103-E115 HydrophobicContact CG2-CG 3.93Å; I108-E115 WeakPolarHBondContact CA-OE1 3.48Å; G109-E115 PolarHBondContact N-OE1 2.89Å; Y110-E115 PolarHBondContact N-OE2 3.32Å; D111-E115 WeakPolarHBondContact CA-OE2 3.39Å; D111-E115 PolarHBondContact N-OE2 3.4Å; A112-E115 HydrophobicContact CB-CB 4.15Å; A112-E115 PolarHBondContact N-OE2 2.93Å; A112-E115 VanDerWaalsContact O-CB 3.25Å; A112-E115 WeakPolarHBondContact O-CB 3.4Å; A112-E115 PolarHBondContact O-N 3.46Å; F113-E115 PolarHBondContact O-N 3.16Å
116C96.4Very high97.3Very high18 Ų1873.1 Ų73.112%0.12239%0.392CS..  trans-149.1149.2160.567.40000110.2G76 T80 Q102 M118 I121G76-C116 VanDerWaalsContact CA-SG 3.53Å; G76-C116 PolarHBondContact N-SG 2.86Å; G76-C116 VanDerWaalsContact N-SG 3.44Å; T80-C116 HydrophobicContact CG2-CB 4.39Å; Q102-C116 PolarHBondContact NE2-O 3.46Å; C116-M118 PolarHBondContact O-N 3.24Å; C116-I121 HydrophobicContact CB-CD1 4.23Å
117D97Very high97.4Very high106 Ų10671.6 Ų71.657%0.56738%0.375SS*.  trans-75.571.1171.9-178.413.8000110.9V119 G120 I121D117-V119 PolarHBondContact O-N 3.26Å; D117-G120 PolarHBondContact O-N 3.1Å; D117-G120 PolarHBondContact OD1-N 3.42Å; D117-G120 WeakPolarHBondContact OD2-CA 3.5Å; D117-I121 WeakPolarHBondContact O-CB 3.46Å; D117-I121 WeakPolarHBondContact O-CD1 3.38Å; D117-I121 WeakPolarHBondContact O-CG1 3.38Å; D117-I121 PolarHBondContact O-N 2.84Å
118M97.4Very high97.5Very high1 Ų171.4 Ų71.41%0.00537%0.372CS..Hα-helixtrans-58-36.8-178.617953172.700111.8A79 I83 I86 C116 S122 V158A79-M118 HydrophobicContact CB-CB 4.23Å; A79-M118 HydrophobicContact CB-CE 4.38Å; A79-M118 HydrophobicContact CB-CG 4.01Å; A79-M118 HydrophobicContact CB-SD 3.78Å; I83-M118 HydrophobicContact CD1-CE 3.97Å; I83-M118 HydrophobicContact CD1-SD 3.78Å; I86-M118 HydrophobicContact CD1-CE 3.5Å; I86-M118 VanDerWaalsContact CD1-CE 3.5Å; C116-M118 PolarHBondContact O-N 3.24Å; M118-S122 VanDerWaalsContact O-CB 3.28Å; M118-S122 WeakPolarHBondContact O-CB 3.42Å; M118-S122 PolarHBondContact O-N 3.34Å; M118-S122 PolarHBondContact O-OG 3.39Å; M118-V158 HydrophobicContact CE-CG1 4.24Å; M118-V158 HydrophobicContact CE-CG2 4.07Å; M118-V158 HydrophobicContact CG-CG1 4.07Å
119V97.3Very high97.5Very high40 Ų4069.7 Ų69.724%0.24237%0.365CS..Hα-helixtrans-64.2-47.6177.1175.50000110.8D117 S122 R123 L131 D160D117-V119 PolarHBondContact O-N 3.26Å; V119-S122 PolarHBondContact O-OG 2.95Å; V119-R123 WeakPolarHBondContact O-CB 3.3Å; V119-R123 PolarHBondContact O-N 3.28Å; V119-L131 HydrophobicContact CG2-CB 4.3Å; V119-D160 HydrophobicContact CG2-CB 4.17Å
120G97.8Very high97.6Very high29 Ų2968.1 Ų68.130%0.29934%0.34SS..Hα-helixtrans-65.8-44.3176.900000113.2D117 R123D117-G120 PolarHBondContact O-N 3.1Å; D117-G120 PolarHBondContact OD1-N 3.42Å; D117-G120 WeakPolarHBondContact OD2-CA 3.5Å; G120-R123 PolarHBondContact O-N 3.19Å
121I98.1Very high97.7Very high74 Ų7462.8 Ų62.838%0.37932%0.323SS..Hα-helixtrans-63.5-45.2-179-66.7164.8000111.1T80 I83 C116 D117T80-I121 HydrophobicContact CG2-CD1 4.06Å; I83-I121 HydrophobicContact CD1-CG2 3.65Å; I83-I121 HydrophobicContact CG1-CG2 3.76Å; C116-I121 HydrophobicContact CB-CD1 4.23Å; D117-I121 WeakPolarHBondContact O-CB 3.46Å; D117-I121 WeakPolarHBondContact O-CD1 3.38Å; D117-I121 WeakPolarHBondContact O-CG1 3.38Å; D117-I121 PolarHBondContact O-N 2.84Å
122S98.3Very high97.8Very high0 Ų055.2 Ų55.20%028%0.283CS..Hα-helixtrans-79-18.4-177.461.90000114.1M118 V119 P124 V125 V126M118-S122 VanDerWaalsContact O-CB 3.28Å; M118-S122 WeakPolarHBondContact O-CB 3.42Å; M118-S122 PolarHBondContact O-N 3.34Å; M118-S122 PolarHBondContact O-OG 3.39Å; V119-S122 PolarHBondContact O-OG 2.95Å; S122-P124 VanDerWaalsContact C-N 3.34Å; S122-P124 WeakPolarHBondContact O-CD 3.29Å; S122-P124 VanDerWaalsContact O-N 3.08Å; S122-V125 CarbonylContact O-C 3.5Å; S122-V125 VanDerWaalsContact O-CG2 3.29Å; S122-V125 WeakPolarHBondContact O-CG2 3.44Å; S122-V125 PolarHBondContact O-N 3.08Å; S122-V126 WeakPolarHBondContact O-CB 3.31Å; S122-V126 VanDerWaalsContact O-CG1 3.23Å; S122-V126 WeakPolarHBondContact O-CG1 3.46Å; S122-V126 PolarHBondContact O-N 3.21Å
123R98.3Very high97.7Very high195 Ų19561.2 Ų61.274%0.73631%0.305SS*.G310 helixtrans-47.4-41-170.9-164.3166.574.3175.52.8115.9V119 G120 V125V119-R123 WeakPolarHBondContact O-CB 3.3Å; V119-R123 PolarHBondContact O-N 3.28Å; G120-R123 PolarHBondContact O-N 3.19Å; R123-V125 VanDerWaalsContact C-N 3.28Å; R123-V125 PolarHBondContact O-N 3.2Å
124P97.9Very high97.6Very high95 Ų9557.8 Ų57.862%0.61729%0.291SS*.G310 helixtrans-75-16.6-178.7-1732.7000114.5S122S122-P124 VanDerWaalsContact C-N 3.34Å; S122-P124 WeakPolarHBondContact O-CD 3.29Å; S122-P124 VanDerWaalsContact O-N 3.08Å
125V98.2Very high97.6Very high34 Ų3455.1 Ų55.121%0.20628%0.279CS..G310 helixtrans-126.423.6-168.8-66.20000111.9I86 A87 Y90 S122 R123I86-V125 HydrophobicContact CG2-CG2 4.11Å; I86-V125 WeakPolarHBondContact CG2-O 3.42Å; A87-V125 HydrophobicContact CB-CB 3.81Å; A87-V125 HydrophobicContact CB-CG1 3.79Å; A87-V125 HydrophobicContact CB-CG2 4.17Å; Y90-V125 WeakPolarHBondContact CB-O 3.49Å; S122-V125 CarbonylContact O-C 3.5Å; S122-V125 VanDerWaalsContact O-CG2 3.29Å; S122-V125 WeakPolarHBondContact O-CG2 3.44Å; S122-V125 PolarHBondContact O-N 3.08Å; R123-V125 VanDerWaalsContact C-N 3.28Å; R123-V125 PolarHBondContact O-N 3.2Å
126V98.3Very high97.6Very high11 Ų1158 Ų587%0.06729%0.293CS..  trans-135.8147-179.573.60000109.6I86 S122 H128 S129 P156 V158I86-V126 HydrophobicContact CG2-CB 4.36Å; S122-V126 WeakPolarHBondContact O-CB 3.31Å; S122-V126 VanDerWaalsContact O-CG1 3.23Å; S122-V126 WeakPolarHBondContact O-CG1 3.46Å; S122-V126 PolarHBondContact O-N 3.21Å; V126-H128 WeakPolarHBondContact CG2-O 3.2Å; V126-S129 VanDerWaalsContact CG1-OG 3.28Å; V126-S129 WeakPolarHBondContact CG1-OG 3.22Å; V126-P156 HydrophobicContact CG2-CB 4.48Å; V126-P156 WeakPolarHBondContact CG2-O 3.16Å; V126-V158 HydrophobicContact CG2-CB 4.34Å; V126-V158 HydrophobicContact CG2-CG2 3.86Å
127K97.7Very high97.6Very high54 Ų5460 Ų6024%0.23530%0.302CS..SBendtrans-69.1-40.5176.1-174.1172.8178.11740111.2L148 S151 R153 P156 V157 Y185K127-L148 WeakPolarHBondContact CD-O 3.3Å; K127-L148 WeakPolarHBondContact CE-O 3.48Å; K127-L148 PolarHBondContact NZ-O 3.24Å; K127-S151 PolarHBondContact NZ-O 3.34Å; K127-R153 PolarHBondContact NZ-O 3.4Å; K127-P156 VanDerWaalsContact CB-O 3.27Å; K127-P156 WeakPolarHBondContact CB-O 3.49Å; K127-P156 PolarHBondContact N-O 3.27Å; K127-V157 HydrophobicContact CB-CG2 4.42Å; K127-Y185 PolarHBondContact NZ-OH 3.05Å
128H98.1Very high97.7Very high74 Ų7455 Ų5534%0.34328%0.276SS..EExtended strand (participates in β ladder)trans-160.6159.9174.8-15955.7000111.1V126 F130 L148 V157 V158V126-H128 WeakPolarHBondContact CG2-O 3.2Å; H128-F130 AromaticContact CD2-CE1 3.88Å; H128-F130 AromaticContact CD2-CE2 3.63Å; H128-F130 AromaticContact CD2-CZ 3.49Å; H128-F130 VanDerWaalsContact CD2-CZ 3.49Å; H128-F130 WeakPolarHBondContact CD2-CZ 3.44Å; H128-F130 AromaticContact NE2-CE1 3.93Å; H128-F130 AromaticContact NE2-CZ 3.98Å; H128-L148 HydrophobicContact CB-CD1 3.95Å; H128-V157 HydrophobicContact CB-CG1 4.5Å; H128-V157 WeakPolarHBondContact O-CA 3.31Å; H128-V157 WeakPolarHBondContact O-CG1 3.37Å; H128-V158 PolarHBondContact O-N 2.9Å
129S98.1Very high97.7Very high23 Ų2355.2 Ų55.216%0.16128%0.277CS..EExtended strand (participates in β ladder)trans-134.5144.4174.1-53.60000110.6V126 V158V126-S129 VanDerWaalsContact CG1-OG 3.28Å; V126-S129 WeakPolarHBondContact CG1-OG 3.22Å; S129-V158 CarbonylContact C-O 3.48Å; S129-V158 VanDerWaalsContact CA-O 3.25Å; S129-V158 WeakPolarHBondContact CA-O 3.32Å
130F98.1Very high97.7Very high31 Ų3157.6 Ų57.614%0.13629%0.285CS..EExtended strand (participates in β ladder)trans-117.9139171.1-62.9-85.7000109.6H128 V141 K144 A145 L148 V157 V158 V159 D160H128-F130 AromaticContact CD2-CE1 3.88Å; H128-F130 AromaticContact CD2-CE2 3.63Å; H128-F130 AromaticContact CD2-CZ 3.49Å; H128-F130 VanDerWaalsContact CD2-CZ 3.49Å; H128-F130 WeakPolarHBondContact CD2-CZ 3.44Å; H128-F130 AromaticContact NE2-CE1 3.93Å; H128-F130 AromaticContact NE2-CZ 3.98Å; F130-V141 HydrophobicContact CB-CG1 3.63Å; F130-V141 HydrophobicContact CD1-CG1 3.92Å; F130-V141 HydrophobicContact CD1-CG2 4.49Å; F130-V141 HydrophobicContact CD2-CG1 3.91Å; F130-V141 HydrophobicContact CG-CG1 3.55Å; F130-K144 HydrophobicContact CZ-CB 3.95Å; F130-A145 HydrophobicContact CD2-CB 4.38Å; F130-A145 HydrophobicContact CE2-CB 4.11Å; F130-L148 HydrophobicContact CE2-CD1 3.93Å; F130-L148 HydrophobicContact CZ-CD1 3.79Å; F130-V157 HydrophobicContact CD2-CG1 4.06Å; F130-V157 HydrophobicContact CE2-CG1 3.98Å; F130-V158 PolarHBondContact N-O 3.11Å; F130-V159 HydrophobicContact CB-CG1 4.49Å; F130-V159 HydrophobicContact CD2-CG2 4.18Å; F130-D160 WeakPolarHBondContact O-CB 3.33Å; F130-D160 PolarHBondContact O-N 3.41Å
131L97.8Very high97.8Very high66 Ų6656.9 Ų56.935%0.34628%0.275SS..EExtended strand (participates in β ladder)trans-109.7110.5160.4172.862.1000106.9I108 V119 D160 P162I108-L131 HydrophobicContact CD1-CD1 4.31Å; I108-L131 HydrophobicContact CD1-CD2 4.43Å; V119-L131 HydrophobicContact CG2-CB 4.3Å; L131-D160 HydrophobicContact CD1-CB 4.03Å; L131-P162 HydrophobicContact CD1-CG 3.87Å
132V97.9Very high97.8Very high4 Ų453.4 Ų53.42%0.02426%0.257CS..  trans-78.9124.9-177.3-170.50000109Q134 D137 I138 V141 V159 D160 L161 P162 I165V132-Q134 WeakPolarHBondContact CG1-O 3.27Å; V132-D137 HydrophobicContact CG1-CB 4.23Å; V132-I138 HydrophobicContact CG1-CG1 3.9Å; V132-V141 HydrophobicContact CG2-CB 4.27Å; V132-V141 HydrophobicContact CG2-CG1 3.89Å; V132-V141 HydrophobicContact CG2-CG2 4.32Å; V132-V159 HydrophobicContact CG2-CG1 3.74Å; V132-D160 PolarHBondContact N-O 3.3Å; V132-L161 HydrophobicContact CB-CD2 4.08Å; V132-L161 HydrophobicContact CG2-CD2 3.72Å; V132-P162 WeakPolarHBondContact O-CD 3.49Å; V132-P162 WeakPolarHBondContact O-CG 3.21Å; V132-I165 HydrophobicContact CB-CD1 3.74Å; V132-I165 HydrophobicContact CG1-CD1 3.54Å
133K94.6Very high97.8Very high149 Ų14955.1 Ų55.165%0.64826%0.264SS*.  trans-104-21.1-174.4-63.7-174.3179.3-175.50113.9
134Q96.7Very high97.8Very high102 Ų10247.7 Ų47.748%0.47724%0.238SC..SBendtrans-135.3145.2-175.9-60.4-175.439.600109.4V132 E136 D137V132-Q134 WeakPolarHBondContact CG1-O 3.27Å; Q134-E136 HydrophobicContact CB-CG 4.29Å; Q134-E136 PolarHBondContact O-N 2.89Å; Q134-E136 PolarHBondContact OE1-OE1 3.41Å; Q134-D137 PolarHBondContact O-N 2.87Å
135T97.8Very high97.8Very high9 Ų943.2 Ų43.26%0.05521%0.208CC..G310 helixtrans-63.6-41.2-175.8-60.10000111.6G6 M9 D137 I138 I165 L172G6-T135 VanDerWaalsContact CA-CG2 3.49Å; M9-T135 HydrophobicContact SD-CG2 4.21Å; T135-D137 PolarHBondContact O-N 3.02Å; T135-I138 HydrophobicContact CG2-CD1 4.4Å; T135-I138 WeakPolarHBondContact O-CB 3.49Å; T135-I138 WeakPolarHBondContact O-CD1 3.11Å; T135-I138 VanDerWaalsContact O-CG1 3.3Å; T135-I138 WeakPolarHBondContact O-CG1 3.3Å; T135-I138 PolarHBondContact O-N 3.04Å; T135-I165 WeakPolarHBondContact CG2-O 3.36Å; T135-I165 WeakPolarHBondContact OG1-CA 3.43Å; T135-I165 PolarHBondContact OG1-O 3.45Å; T135-L172 HydrophobicContact CG2-CD1 3.91Å
136E96.9Very high97.8Very high104 Ų10442 Ų4249%0.48620%0.2SC..G310 helixtrans-65-18.8179.956.2-96.6-118.600114.4Q134 P139 L172Q134-E136 HydrophobicContact CB-CG 4.29Å; Q134-E136 PolarHBondContact O-N 2.89Å; Q134-E136 PolarHBondContact OE1-OE1 3.41Å; E136-P139 WeakPolarHBondContact O-CD 3.4Å; E136-L172 HydrophobicContact CB-CD1 4.4Å
137D97.4Very high97.7Very high60 Ų6044.8 Ų44.832%0.32121%0.21SC..G310 helixtrans-80.2-18179.2-73.6-27.7000112.8V132 Q134 T135 Q140 V141V132-D137 HydrophobicContact CG1-CB 4.23Å; Q134-D137 PolarHBondContact O-N 2.87Å; T135-D137 PolarHBondContact O-N 3.02Å; D137-Q140 PolarHBondContact O-N 3.4Å; D137-Q140 VanDerWaalsContact O-N 3.16Å; D137-V141 HydrophobicContact CB-CG2 4.32Å; D137-V141 WeakPolarHBondContact O-CG2 3.43Å; D137-V141 PolarHBondContact O-N 3.42Å
138I98.4Very high97.7Very high1 Ų142.5 Ų42.51%0.00520%0.2CC..Hα-helixtrans-51.1-52-173.3-69.1168.9000112.3G6 M9 V10 V132 T135 Q140 V141 L142 I165 L166G6-I138 WeakPolarHBondContact O-CD1 3.43Å; M9-I138 HydrophobicContact CB-CB 4.48Å; M9-I138 HydrophobicContact CB-CG2 4.17Å; V10-I138 HydrophobicContact CB-CG2 4.44Å; V10-I138 HydrophobicContact CG2-CD1 4.33Å; V10-I138 HydrophobicContact CG2-CG2 3.6Å; V132-I138 HydrophobicContact CG1-CG1 3.9Å; T135-I138 HydrophobicContact CG2-CD1 4.4Å; T135-I138 WeakPolarHBondContact O-CB 3.49Å; T135-I138 WeakPolarHBondContact O-CD1 3.11Å; T135-I138 VanDerWaalsContact O-CG1 3.3Å; T135-I138 WeakPolarHBondContact O-CG1 3.3Å; T135-I138 PolarHBondContact O-N 3.04Å; I138-Q140 VanDerWaalsContact C-N 3.33Å; I138-Q140 PolarHBondContact O-N 3.39Å; I138-V141 PolarHBondContact O-N 3.01Å; I138-L142 HydrophobicContact CG2-CD1 3.86Å; I138-L142 HydrophobicContact CG2-CG 4.41Å; I138-L142 WeakPolarHBondContact O-CG 3.47Å; I138-L142 PolarHBondContact O-N 2.68Å; I138-I165 HydrophobicContact CD1-CD1 4.24Å; I138-I165 HydrophobicContact CG1-CD1 4.35Å; I138-L166 HydrophobicContact CD1-CD2 4.1Å
139P98.1Very high97.8Very high4 Ų439 Ų393%0.02618%0.184CC..Hα-helixtrans-62.3-41-177.1-22.335.1000112.3M9 S13 E136 K143 Y174 V175 W176M9-P139 HydrophobicContact SD-CG 4.27Å; S13-P139 WeakPolarHBondContact OG-CA 3.17Å; E136-P139 WeakPolarHBondContact O-CD 3.4Å; P139-K143 WeakPolarHBondContact O-CB 3.41Å; P139-K143 PolarHBondContact O-N 2.65Å; P139-Y174 HydrophobicContact CB-CD2 4.49Å; P139-Y174 HydrophobicContact CB-CE2 4Å; P139-Y174 HydrophobicContact CG-CD2 3.8Å; P139-Y174 HydrophobicContact CG-CE2 3.73Å; P139-V175 WeakPolarHBondContact CB-O 3.28Å; P139-W176 HydrophobicContact CB-CE3 3.99Å; P139-W176 HydrophobicContact CB-CZ3 4.31Å; P139-W176 VanDerWaalsContact O-CZ3 3.27Å; P139-W176 WeakPolarHBondContact O-CZ3 3.49Å
140Q97.7Very high97.7Very high90 Ų9040.4 Ų40.442%0.42120%0.197SC..Hα-helixtrans-69.8-40.4-179.6-159.7-164.645.900112.2D137 I138 K144 P177D137-Q140 PolarHBondContact O-N 3.4Å; D137-Q140 VanDerWaalsContact O-N 3.16Å; I138-Q140 VanDerWaalsContact C-N 3.33Å; I138-Q140 PolarHBondContact O-N 3.39Å; Q140-K144 VanDerWaalsContact CD-NZ 3.28Å; Q140-K144 WeakPolarHBondContact O-CG 3.43Å; Q140-K144 PolarHBondContact O-N 3.08Å; Q140-K144 VanDerWaalsContact O-N 3.09Å; Q140-P177 HydrophobicContact CB-CG 4.25Å; Q140-P177 HydrophobicContact CG-CG 4.2Å
141V98.3Very high97.7Very high14 Ų1440 Ų409%0.08520%0.198CC..Hα-helixtrans-64.2-45.8176.9170.50000110.5F130 V132 D137 I138 K143 K144 A145 V159F130-V141 HydrophobicContact CB-CG1 3.63Å; F130-V141 HydrophobicContact CD1-CG1 3.92Å; F130-V141 HydrophobicContact CD1-CG2 4.49Å; F130-V141 HydrophobicContact CD2-CG1 3.91Å; F130-V141 HydrophobicContact CG-CG1 3.55Å; V132-V141 HydrophobicContact CG2-CB 4.27Å; V132-V141 HydrophobicContact CG2-CG1 3.89Å; V132-V141 HydrophobicContact CG2-CG2 4.32Å; D137-V141 HydrophobicContact CB-CG2 4.32Å; D137-V141 WeakPolarHBondContact O-CG2 3.43Å; D137-V141 PolarHBondContact O-N 3.42Å; I138-V141 PolarHBondContact O-N 3.01Å; V141-K143 PolarHBondContact O-N 2.81Å; V141-K144 WeakPolarHBondContact O-CB 2.95Å; V141-K144 PolarHBondContact O-N 3.21Å; V141-A145 WeakPolarHBondContact O-CB 3.48Å; V141-A145 PolarHBondContact O-N 2.84Å; V141-V159 HydrophobicContact CG1-CG1 3.83Å; V141-V159 HydrophobicContact CG1-CG2 4.36Å
142L98.6Very high97.6Very high1 Ų137.7 Ų37.71%0.00519%0.19CC..Hα-helixtrans-62.4-46.1178.2-71.3177.1000111.3V10 S13 L99 I138 K144 A145 F146 V159V10-L142 HydrophobicContact CB-CD1 4.49Å; V10-L142 HydrophobicContact CG1-CD1 4.35Å; V10-L142 HydrophobicContact CG2-CD1 4.5Å; S13-L142 VanDerWaalsContact CB-CD1 3.45Å; L99-L142 HydrophobicContact CD2-CD2 3.59Å; I138-L142 HydrophobicContact CG2-CD1 3.86Å; I138-L142 HydrophobicContact CG2-CG 4.41Å; I138-L142 WeakPolarHBondContact O-CG 3.47Å; I138-L142 PolarHBondContact O-N 2.68Å; L142-K144 VanDerWaalsContact C-N 3.27Å; L142-K144 PolarHBondContact O-N 2.87Å; L142-A145 WeakPolarHBondContact O-CB 3.41Å; L142-A145 PolarHBondContact O-N 3.37Å; L142-F146 WeakPolarHBondContact O-CD2 3.38Å; L142-F146 PolarHBondContact O-N 2.88Å; L142-V159 HydrophobicContact CD2-CG1 4.3Å; L142-V159 HydrophobicContact CD2-CG2 4.31Å
143K98.1Very high97.6Very high36 Ų3640.6 Ų40.616%0.15720%0.201CC..Hα-helixtrans-55.7-42.4175.8-16575.6-179.2178.30112.4P139 V141 W147 W176 P177 V180P139-K143 WeakPolarHBondContact O-CB 3.41Å; P139-K143 PolarHBondContact O-N 2.65Å; V141-K143 PolarHBondContact O-N 2.81Å; K143-W147 WeakPolarHBondContact O-CB 3.14Å; K143-W147 PolarHBondContact O-N 3.37Å; K143-W176 HydrophobicContact CB-CH2 4Å; K143-W176 HydrophobicContact CB-CZ2 4.44Å; K143-W176 HydrophobicContact CB-CZ3 4.22Å; K143-W176 HydrophobicContact CD-CD2 4.39Å; K143-W176 HydrophobicContact CD-CH2 3.66Å; K143-W176 HydrophobicContact CD-CZ2 3.23Å; K143-W176 HydrophobicContact CD-CZ3 4.39Å; K143-W176 HydrophobicContact CG-CH2 4.47Å; K143-W176 HydrophobicContact CG-CZ2 4.43Å; K143-P177 HydrophobicContact CB-CG 4.18Å; K143-P177 WeakPolarHBondContact CE-O 3.27Å; K143-P177 HydrophobicContact CG-CB 4.39Å; K143-P177 HydrophobicContact CG-CG 4.43Å; K143-V180 HydrophobicContact CB-CG1 3.66Å; K143-V180 HydrophobicContact CG-CB 4.4Å; K143-V180 HydrophobicContact CG-CG1 3.29Å; K143-V180 HydrophobicContact CG-CG2 4.29Å
144K98.1Very high97.8Very high40 Ų4034.1 Ų34.117%0.17417%0.174CC..Hα-helixtrans-65.7-42174.9-72.3168.2-178163.70111.8F130 Q140 V141 L142 W147 L148 V180 M182F130-K144 HydrophobicContact CZ-CB 3.95Å; Q140-K144 VanDerWaalsContact CD-NZ 3.28Å; Q140-K144 WeakPolarHBondContact O-CG 3.43Å; Q140-K144 PolarHBondContact O-N 3.08Å; Q140-K144 VanDerWaalsContact O-N 3.09Å; V141-K144 WeakPolarHBondContact O-CB 2.95Å; V141-K144 PolarHBondContact O-N 3.21Å; L142-K144 VanDerWaalsContact C-N 3.27Å; L142-K144 PolarHBondContact O-N 2.87Å; K144-W147 PolarHBondContact O-N 3.49Å; K144-L148 WeakPolarHBondContact O-CB 3.4Å; K144-L148 WeakPolarHBondContact O-CG 3.45Å; K144-L148 PolarHBondContact O-N 3.06Å; K144-V180 HydrophobicContact CG-CB 4.23Å; K144-V180 HydrophobicContact CG-CG1 3.91Å; K144-M182 HydrophobicContact CB-SD 4.49Å; K144-M182 HydrophobicContact CG-SD 4.5Å
145A98.6Very high97.9Very high0 Ų029.4 Ų29.40%015%0.153CC..Hα-helixtrans-61.3-47.3-179.100000111.8V97 F130 V141 L142 L148 A149 V157 V159V97-A145 HydrophobicContact CG1-CB 4.4Å; V97-A145 HydrophobicContact CG2-CB 4.22Å; F130-A145 HydrophobicContact CD2-CB 4.38Å; F130-A145 HydrophobicContact CE2-CB 4.11Å; V141-A145 WeakPolarHBondContact O-CB 3.48Å; V141-A145 PolarHBondContact O-N 2.84Å; L142-A145 WeakPolarHBondContact O-CB 3.41Å; L142-A145 PolarHBondContact O-N 3.37Å; A145-L148 PolarHBondContact O-N 3.48Å; A145-A149 WeakPolarHBondContact O-CB 3.39Å; A145-A149 PolarHBondContact O-N 3.46Å; A145-V157 HydrophobicContact CB-CB 4.49Å; A145-V157 HydrophobicContact CB-CG1 3.75Å; A145-V159 HydrophobicContact CB-CG2 3.65Å
146F98.4Very high97.9Very high8 Ų829 Ų294%0.03515%0.15CC..Hα-helixtrans-63.1-43.4176-83-90.8000112.4L14 Q17 V19 V68 V70 V97 L142 A149 A150L14-F146 HydrophobicContact CD2-CE2 3.71Å; L14-F146 HydrophobicContact CD2-CZ 3.67Å; Q17-F146 HydrophobicContact CG-CB 4.06Å; Q17-F146 HydrophobicContact CG-CD1 3.61Å; Q17-F146 HydrophobicContact CG-CD2 3.75Å; Q17-F146 HydrophobicContact CG-CE1 3.94Å; Q17-F146 HydrophobicContact CG-CE2 4.07Å; Q17-F146 HydrophobicContact CG-CG 3.52Å; Q17-F146 HydrophobicContact CG-CZ 4.17Å; V19-F146 HydrophobicContact CG2-CE1 3.67Å; V19-F146 HydrophobicContact CG2-CZ 3.54Å; V68-F146 HydrophobicContact CB-CD1 3.8Å; V68-F146 HydrophobicContact CB-CE1 3.94Å; V68-F146 HydrophobicContact CG1-CD1 3.76Å; V68-F146 HydrophobicContact CG1-CE1 3.83Å; V68-F146 HydrophobicContact CG2-CD1 4.02Å; V70-F146 HydrophobicContact CG2-CE1 3.77Å; V70-F146 HydrophobicContact CG2-CZ 3.57Å; V97-F146 HydrophobicContact CB-CE2 4.28Å; V97-F146 HydrophobicContact CB-CZ 4.21Å; V97-F146 HydrophobicContact CG1-CE2 4.13Å; V97-F146 HydrophobicContact CG1-CZ 4.44Å; V97-F146 HydrophobicContact CG2-CD1 4.19Å; V97-F146 HydrophobicContact CG2-CD2 4.04Å; V97-F146 HydrophobicContact CG2-CE1 4.28Å; V97-F146 HydrophobicContact CG2-CE2 4.13Å; V97-F146 HydrophobicContact CG2-CG 4.06Å; V97-F146 HydrophobicContact CG2-CZ 4.24Å; L142-F146 WeakPolarHBondContact O-CD2 3.38Å; L142-F146 PolarHBondContact O-N 2.88Å; F146-A149 PolarHBondContact O-N 3.47Å; F146-A150 WeakPolarHBondContact O-CB 3.26Å; F146-A150 PolarHBondContact O-N 2.86Å
147W97.3Very high98Very high71 Ų7124 Ų2427%0.26913%0.127SC..Hα-helixtrans-62.9-43.6176.8174.567.4000112.3K143 K144 S151 V180 M182 Y185K143-W147 WeakPolarHBondContact O-CB 3.14Å; K143-W147 PolarHBondContact O-N 3.37Å; K144-W147 PolarHBondContact O-N 3.49Å; W147-S151 WeakPolarHBondContact O-CB 3.25Å; W147-S151 PolarHBondContact O-N 3.47Å; W147-S151 PolarHBondContact O-OG 3.03Å; W147-V180 HydrophobicContact CB-CG2 3.68Å; W147-V180 HydrophobicContact CD2-CG2 3.98Å; W147-V180 HydrophobicContact CE3-CG2 4.22Å; W147-V180 HydrophobicContact CG-CG2 3.76Å; W147-M182 HydrophobicContact CE3-SD 4.47Å; W147-M182 HydrophobicContact CH2-CB 4.34Å; W147-M182 HydrophobicContact CZ3-CB 3.87Å; W147-M182 HydrophobicContact CZ3-CG 3.82Å; W147-M182 HydrophobicContact CZ3-SD 4.02Å; W147-Y185 HydrophobicContact CE3-CD1 4.24Å; W147-Y185 HydrophobicContact CE3-CE1 4.46Å; W147-Y185 AromaticContact CH2-CD1 3.41Å; W147-Y185 HydrophobicContact CH2-CD1 3.41Å; W147-Y185 VanDerWaalsContact CH2-CD1 3.41Å; W147-Y185 HydrophobicContact CH2-CE1 4.03Å; W147-Y185 HydrophobicContact CH2-CG 4.48Å; W147-Y185 VanDerWaalsContact CH2-O 3.31Å; W147-Y185 WeakPolarHBondContact CH2-O 3.42Å; W147-Y185 AromaticContact CZ2-CD1 3.94Å; W147-Y185 HydrophobicContact CZ2-CD1 3.94Å; W147-Y185 HydrophobicContact CZ2-CE1 4.11Å; W147-Y185 AromaticContact CZ3-CD1 3.54Å; W147-Y185 HydrophobicContact CZ3-CD1 3.54Å; W147-Y185 HydrophobicContact CZ3-CE1 4.16Å
148L97.8Very high98.1Very high6 Ų621.1 Ų21.13%0.03111%0.111CC..Hα-helixtrans-63-45.7174.8-76.5171.6000111.4K127 H128 F130 K144 A145 A150 V157 M182 Y185K127-L148 WeakPolarHBondContact CD-O 3.3Å; K127-L148 WeakPolarHBondContact CE-O 3.48Å; K127-L148 PolarHBondContact NZ-O 3.24Å; H128-L148 HydrophobicContact CB-CD1 3.95Å; F130-L148 HydrophobicContact CE2-CD1 3.93Å; F130-L148 HydrophobicContact CZ-CD1 3.79Å; K144-L148 WeakPolarHBondContact O-CB 3.4Å; K144-L148 WeakPolarHBondContact O-CG 3.45Å; K144-L148 PolarHBondContact O-N 3.06Å; A145-L148 PolarHBondContact O-N 3.48Å; L148-A150 VanDerWaalsContact C-N 3.31Å; L148-A150 PolarHBondContact O-N 3.03Å; L148-V157 HydrophobicContact CB-CG2 3.89Å; L148-M182 HydrophobicContact CD1-CE 4.29Å; L148-M182 HydrophobicContact CD1-SD 3.76Å; L148-M182 HydrophobicContact CD2-SD 4.04Å; L148-M182 HydrophobicContact CG-SD 4.02Å; L148-Y185 HydrophobicContact CD2-CD1 3.58Å; L148-Y185 HydrophobicContact CD2-CD2 4.2Å; L148-Y185 HydrophobicContact CD2-CE1 3.75Å; L148-Y185 HydrophobicContact CD2-CE2 4.34Å; L148-Y185 HydrophobicContact CD2-CG 3.81Å
149A98.6Very high98.1Very high0 Ų021.1 Ų21.10%011%0.111CC..Hα-helixtrans-60-41.8-178.300000112V68 P95 L96 V97 A145 F146 P154 G155 V157V68-A149 HydrophobicContact CG1-CB 4.04Å; P95-A149 WeakPolarHBondContact CB-O 3.33Å; L96-A149 WeakPolarHBondContact O-CB 3.43Å; V97-A149 HydrophobicContact CG2-CB 4.02Å; A145-A149 WeakPolarHBondContact O-CB 3.39Å; A145-A149 PolarHBondContact O-N 3.46Å; F146-A149 PolarHBondContact O-N 3.47Å; A149-P154 WeakPolarHBondContact O-CA 3.15Å; A149-P154 VanDerWaalsContact O-CB 3.31Å; A149-P154 WeakPolarHBondContact O-CB 3.44Å; A149-G155 VanDerWaalsContact CA-O 3.31Å; A149-G155 WeakPolarHBondContact CA-O 3.45Å; A149-G155 PolarHBondContact O-N 2.94Å; A149-G155 VanDerWaalsContact O-N 3.08Å; A149-V157 HydrophobicContact CB-CG2 3.98Å
150A97.5Very high98.1Very high53 Ų5321.1 Ų21.144%0.43811%0.111SC..Hα-helixtrans-87.2-33.2-174.300000115.2V68 F146 L148V68-A150 HydrophobicContact CG2-CB 3.87Å; F146-A150 WeakPolarHBondContact O-CB 3.26Å; F146-A150 PolarHBondContact O-N 2.86Å; L148-A150 VanDerWaalsContact C-N 3.31Å; L148-A150 PolarHBondContact O-N 3.03Å
151S96.7Very high98.2Very high21 Ų2116.9 Ų16.915%0.1479%0.091CC..SBendtrans-85.2163-170.764.80000113.8K127 W147 Y185K127-S151 PolarHBondContact NZ-O 3.34Å; W147-S151 WeakPolarHBondContact O-CB 3.25Å; W147-S151 PolarHBondContact O-N 3.47Å; W147-S151 PolarHBondContact O-OG 3.03Å; S151-Y185 PolarHBondContact O-OH 3.13Å; S151-Y185 VanDerWaalsContact OG-CE1 3.22Å; S151-Y185 WeakPolarHBondContact OG-CE1 3.43Å; S151-Y185 PolarHBondContact OG-OH 2.92Å
152G96.9Very high98.2Very high19 Ų1916.2 Ų16.220%0.1969%0.088CC..SBendtrans60.9-136.9-179.700000111P154G152-P154 WeakPolarHBondContact O-CD 3.34Å
153R97.8Very high98.1Very high64 Ų6421 Ų2124%0.24211%0.108CC..SBendtrans-74.3116.9161.8179.2177.2178.6-161.4-6.3108.5M91 S93 K127 I305 D306M91-R153 PolarHBondContact O-NH2 3.46Å; S93-R153 PolarHBondContact OG-NE 3.38Å; S93-R153 PolarHBondContact OG-NH2 2.96Å; K127-R153 PolarHBondContact NZ-O 3.4Å; R153-I305 HydrophobicContact CB-CG2 4.06Å; R153-D306 HydrophobicContact CB-CB 4.06Å
154P98.5Very high98.1Very high14 Ų1422.1 Ų22.19%0.09112%0.116CC..  trans-65.8161.1-178.4-16.529.6000111.7S93 P95 A149 G152 T219S93-P154 CarbonylContact C-O 3.59Å; S93-P154 VanDerWaalsContact C-O 3.3Å; S93-P154 WeakPolarHBondContact CA-O 3.18Å; S93-P154 WeakPolarHBondContact CB-O 3.42Å; S93-P154 WeakPolarHBondContact O-CB 3.31Å; P95-P154 HydrophobicContact CB-CB 3.96Å; P95-P154 HydrophobicContact CG-CB 4.22Å; A149-P154 WeakPolarHBondContact O-CA 3.15Å; A149-P154 VanDerWaalsContact O-CB 3.31Å; A149-P154 WeakPolarHBondContact O-CB 3.44Å; G152-P154 WeakPolarHBondContact O-CD 3.34Å; P154-T219 HydrophobicContact CG-CG2 3.53Å
155G98.6Very high98.1Very high2 Ų220.7 Ų20.72%0.02111%0.11CC..  trans-179.7171.7179.700000112.7I94 L96 A149I94-G155 CarbonylContact O-C 3.54Å; I94-G155 WeakPolarHBondContact O-CA 3.44Å; L96-G155 PolarHBondContact N-O 3.14Å; A149-G155 VanDerWaalsContact CA-O 3.31Å; A149-G155 WeakPolarHBondContact CA-O 3.45Å; A149-G155 PolarHBondContact O-N 2.94Å; A149-G155 VanDerWaalsContact O-N 3.08Å
156P98.9Very high98.1Very high0 Ų020.7 Ų20.70%011%0.11CC..EExtended strand (participates in β ladder)trans-72.1142.9179.629.2-34.4000111.2I86 A89 L96 V126 K127I86-P156 HydrophobicContact CG2-CB 4.23Å; I86-P156 HydrophobicContact CG2-CG 4.06Å; I86-P156 WeakPolarHBondContact O-CG 3.28Å; A89-P156 HydrophobicContact CB-CB 4.35Å; A89-P156 HydrophobicContact CB-CG 4.19Å; L96-P156 HydrophobicContact CB-CB 4.08Å; L96-P156 CarbonylContact O-C 3.4Å; L96-P156 WeakPolarHBondContact O-CA 3.44Å; V126-P156 HydrophobicContact CG2-CB 4.48Å; V126-P156 WeakPolarHBondContact CG2-O 3.16Å; K127-P156 VanDerWaalsContact CB-O 3.27Å; K127-P156 WeakPolarHBondContact CB-O 3.49Å; K127-P156 PolarHBondContact N-O 3.27Å
157V98.9Very high98Very high0 Ų023.7 Ų23.70%013%0.127CC..EExtended strand (participates in β ladder)trans-124.8132.9170.5176.50000108.7L96 V97 V98 K127 H128 F130 A145 L148 A149L96-V157 PolarHBondContact O-N 3.03Å; V97-V157 WeakPolarHBondContact CA-O 3.18Å; V98-V157 PolarHBondContact N-O 2.91Å; K127-V157 HydrophobicContact CB-CG2 4.42Å; H128-V157 HydrophobicContact CB-CG1 4.5Å; H128-V157 WeakPolarHBondContact O-CA 3.31Å; H128-V157 WeakPolarHBondContact O-CG1 3.37Å; F130-V157 HydrophobicContact CD2-CG1 4.06Å; F130-V157 HydrophobicContact CE2-CG1 3.98Å; A145-V157 HydrophobicContact CB-CB 4.49Å; A145-V157 HydrophobicContact CB-CG1 3.75Å; L148-V157 HydrophobicContact CB-CG2 3.89Å; A149-V157 HydrophobicContact CB-CG2 3.98Å
158V98.8Very high97.9Very high0 Ų022.8 Ų22.80%013%0.13CC..EExtended strand (participates in β ladder)trans-99.5136.4176.6170.60000109.9I86 V98 M118 V126 H128 S129 F130I86-V158 HydrophobicContact CD1-CG2 4.02Å; V98-V158 HydrophobicContact CB-CG2 4.22Å; V98-V158 CarbonylContact O-C 3.59Å; V98-V158 WeakPolarHBondContact O-CA 3.27Å; M118-V158 HydrophobicContact CE-CG1 4.24Å; M118-V158 HydrophobicContact CE-CG2 4.07Å; M118-V158 HydrophobicContact CG-CG1 4.07Å; V126-V158 HydrophobicContact CG2-CB 4.34Å; V126-V158 HydrophobicContact CG2-CG2 3.86Å; H128-V158 PolarHBondContact O-N 2.9Å; S129-V158 CarbonylContact C-O 3.48Å; S129-V158 VanDerWaalsContact CA-O 3.25Å; S129-V158 WeakPolarHBondContact CA-O 3.32Å; F130-V158 PolarHBondContact N-O 3.11Å
159V98.8Very high97.8Very high0 Ų026.8 Ų26.80%016%0.164CC..EExtended strand (participates in β ladder)trans-124.8106.1171.8-175.50000107.8V97 V98 L99 S100 F130 V132 V141 L142 A145 L161V97-V159 HydrophobicContact CG1-CG2 4.4Å; V98-V159 PolarHBondContact O-N 2.71Å; L99-V159 WeakPolarHBondContact CA-O 3.47Å; L99-V159 HydrophobicContact CD2-CB 3.98Å; L99-V159 HydrophobicContact CD2-CG2 4.41Å; S100-V159 PolarHBondContact N-O 2.74Å; F130-V159 HydrophobicContact CB-CG1 4.49Å; F130-V159 HydrophobicContact CD2-CG2 4.18Å; V132-V159 HydrophobicContact CG2-CG1 3.74Å; V141-V159 HydrophobicContact CG1-CG1 3.83Å; V141-V159 HydrophobicContact CG1-CG2 4.36Å; L142-V159 HydrophobicContact CD2-CG1 4.3Å; L142-V159 HydrophobicContact CD2-CG2 4.31Å; A145-V159 HydrophobicContact CB-CG2 3.65Å; V159-L161 HydrophobicContact CG1-CD2 4.02Å; V159-L161 HydrophobicContact CG1-CG 4.23Å
160D98.3Very high97.6Very high4 Ų430.4 Ų30.42%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-89.8125.6-179.3-152.539.4000110S100 Q102 V119 F130 L131 V132S100-D160 WeakPolarHBondContact CB-OD1 3.28Å; S100-D160 CarbonylContact O-C 3.58Å; S100-D160 WeakPolarHBondContact O-CA 3.35Å; S100-D160 WeakPolarHBondContact OG-CA 3.3Å; S100-D160 PolarHBondContact OG-OD1 3.44Å; Q102-D160 PolarHBondContact NE2-OD2 3.15Å; V119-D160 HydrophobicContact CG2-CB 4.17Å; F130-D160 WeakPolarHBondContact O-CB 3.33Å; F130-D160 PolarHBondContact O-N 3.41Å; L131-D160 HydrophobicContact CD1-CB 4.03Å; V132-D160 PolarHBondContact N-O 3.3Å
161L98.6Very high97.6Very high1 Ų132.4 Ų32.41%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-123.297-166-65.5168.5000110.5V10 I33 L99 S100 G101 Q102 V132 V159 L166V10-L161 HydrophobicContact CG2-CD1 4.05Å; V10-L161 HydrophobicContact CG2-CD2 4.48Å; I33-L161 HydrophobicContact CD1-CD1 3.85Å; L99-L161 HydrophobicContact CB-CD1 4.28Å; S100-L161 PolarHBondContact O-N 2.99Å; G101-L161 CarbonylContact C-O 3.57Å; G101-L161 WeakPolarHBondContact CA-O 3.49Å; Q102-L161 PolarHBondContact N-O 3.1Å; V132-L161 HydrophobicContact CB-CD2 4.08Å; V132-L161 HydrophobicContact CG2-CD2 3.72Å; V159-L161 HydrophobicContact CG1-CD2 4.02Å; V159-L161 HydrophobicContact CG1-CG 4.23Å; L161-L166 HydrophobicContact CB-CD1 4.16Å; L161-L166 HydrophobicContact CB-CD2 4.39Å
162P98.3Very high97.7Very high1 Ų133.4 Ų33.41%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-58.1135.1174.7-26.736.7000112.7Q102 V103 T105 I108 L131 V132 D164 I165Q102-P162 HydrophobicContact CB-CG 4.39Å; V103-P162 WeakPolarHBondContact O-CB 3.38Å; T105-P162 HydrophobicContact CG2-CB 3.61Å; T105-P162 HydrophobicContact CG2-CG 3.83Å; I108-P162 HydrophobicContact CD1-CG 4.23Å; L131-P162 HydrophobicContact CD1-CG 3.87Å; V132-P162 WeakPolarHBondContact O-CD 3.49Å; V132-P162 WeakPolarHBondContact O-CG 3.21Å; P162-D164 VanDerWaalsContact C-N 3.25Å; P162-D164 VanDerWaalsContact CB-OD1 3.29Å; P162-D164 WeakPolarHBondContact CB-OD1 3.49Å; P162-D164 PolarHBondContact O-N 3.34Å; P162-D164 VanDerWaalsContact O-N 3.16Å; P162-I165 HydrophobicContact CB-CG1 4.31Å; P162-I165 WeakPolarHBondContact O-CG1 3.42Å; P162-I165 PolarHBondContact O-N 3.32Å
163K97.8Very high97.7Very high101 Ų10135.5 Ų35.544%0.43920%0.196SC..G310 helixtrans-61.3-29.8-173.276.6176.3-155.8169.60114.8Q102 A104 L166Q102-K163 PolarHBondContact O-N 3.37Å; A104-K163 HydrophobicContact CB-CG 4.12Å; K163-L166 PolarHBondContact O-N 2.93Å
164D97.3Very high97.7Very high60 Ų6033.2 Ų33.232%0.32119%0.187SC..G310 helixtrans-70.9-29.1-17857.3-44.6000113.1A104 T105 P162 L166A104-D164 VanDerWaalsContact CA-OD1 3.23Å; A104-D164 WeakPolarHBondContact CA-OD1 3.22Å; A104-D164 HydrophobicContact CB-CB 3.98Å; T105-D164 WeakPolarHBondContact CB-OD2 3.39Å; T105-D164 WeakPolarHBondContact CG2-OD2 3.48Å; T105-D164 VanDerWaalsContact N-CG 3.33Å; T105-D164 PolarHBondContact N-OD1 3.25Å; T105-D164 PolarHBondContact N-OD2 3.43Å; T105-D164 PolarHBondContact OG1-OD2 3.06Å; P162-D164 VanDerWaalsContact C-N 3.25Å; P162-D164 VanDerWaalsContact CB-OD1 3.29Å; P162-D164 WeakPolarHBondContact CB-OD1 3.49Å; P162-D164 PolarHBondContact O-N 3.34Å; P162-D164 VanDerWaalsContact O-N 3.16Å; D164-L166 PolarHBondContact O-N 2.83Å
165I97.8Very high97.6Very high9 Ų936.9 Ų36.95%0.04621%0.209CC..G310 helixtrans-77.3-11.5174.668.5154.4000112.6G6 T105 V132 T135 I138 P162G6-I165 WeakPolarHBondContact CA-O 3.41Å; T105-I165 HydrophobicContact CG2-CG2 4.24Å; V132-I165 HydrophobicContact CB-CD1 3.74Å; V132-I165 HydrophobicContact CG1-CD1 3.54Å; T135-I165 WeakPolarHBondContact CG2-O 3.36Å; T135-I165 WeakPolarHBondContact OG1-CA 3.43Å; T135-I165 PolarHBondContact OG1-O 3.45Å; I138-I165 HydrophobicContact CD1-CD1 4.24Å; I138-I165 HydrophobicContact CG1-CD1 4.35Å; P162-I165 HydrophobicContact CB-CG1 4.31Å; P162-I165 WeakPolarHBondContact O-CG1 3.42Å; P162-I165 PolarHBondContact O-N 3.32Å
166L98.2Very high97.5Very high0 Ų039.1 Ų39.10%022%0.217CC..G310 helixtrans-93.9-6.5-178.7-57.5175.4000113.4A7 V10 D32 I33 I138 L161 K163 D164A7-L166 HydrophobicContact CB-CB 4.36Å; A7-L166 WeakPolarHBondContact CB-O 3.29Å; A7-L166 PolarHBondContact N-O 3.46Å; V10-L166 HydrophobicContact CG2-CD2 4.16Å; D32-L166 HydrophobicContact CB-CB 4.23Å; I33-L166 HydrophobicContact CD1-CD1 3.72Å; I33-L166 HydrophobicContact CD1-CD2 4.38Å; I33-L166 HydrophobicContact CG1-CD1 3.86Å; I33-L166 HydrophobicContact CG1-CD2 4.38Å; I138-L166 HydrophobicContact CD1-CD2 4.1Å; L161-L166 HydrophobicContact CB-CD1 4.16Å; L161-L166 HydrophobicContact CB-CD2 4.39Å; K163-L166 PolarHBondContact O-N 2.93Å; D164-L166 PolarHBondContact O-N 2.83Å
167N97Very high97.4Very high72 Ų7240.4 Ų40.439%0.38523%0.225SC..  trans-51.6121.8-168.7-174.5-20.5000113.7S5 A169 N170S5-N167 WeakPolarHBondContact CB-O 3.26Å; N167-A169 PolarHBondContact O-N 3.37Å; N167-A169 VanDerWaalsContact O-N 3.1Å; N167-A169 VanDerWaalsContact OD1-CB 3.31Å; N167-A169 WeakPolarHBondContact OD1-CB 3.17Å; N167-A169 PolarHBondContact OD1-N 2.85Å; N167-N170 PolarHBondContact O-N 3.45Å; N167-N170 VanDerWaalsContact O-N 3.11Å
168P95.6Very high97.2Very high51 Ų5149.7 Ų49.733%0.33127%0.268SS..THydrogen-bonded Turntrans-57.7-24.9179.2-2735.1000115.2D32 N170D32-P168 HydrophobicContact CB-CG 4.18Å; P168-N170 VanDerWaalsContact C-N 3.32Å; P168-N170 PolarHBondContact O-N 3.45Å
169A95.7Very high96.9Very high91 Ų9154.4 Ų54.475%0.75230%0.301SS*.THydrogen-bonded Turntrans-75.6-18.5-179.400000113.7N167N167-A169 PolarHBondContact O-N 3.37Å; N167-A169 VanDerWaalsContact O-N 3.1Å; N167-A169 VanDerWaalsContact OD1-CB 3.31Å; N167-A169 WeakPolarHBondContact OD1-CB 3.17Å; N167-A169 PolarHBondContact OD1-N 2.85Å
170N94.7Very high96.6Very high75 Ų7556 Ų5640%0.40131%0.311SS..  trans-104.996.5-177.2-17625000110.9S5 N167 P168S5-N170 WeakPolarHBondContact CA-O 3.22Å; N167-N170 PolarHBondContact O-N 3.45Å; N167-N170 VanDerWaalsContact O-N 3.11Å; P168-N170 VanDerWaalsContact C-N 3.32Å; P168-N170 PolarHBondContact O-N 3.45Å
171K97.2Very high96.2Very high96 Ų9660.7 Ų60.742%0.41735%0.345SS..  trans-97.6125.3-179.9-62.1-163.9168.7-137.20111.8M3 L4 E8M3-K171 HydrophobicContact CB-CB 4.27Å; M3-K171 WeakPolarHBondContact CE-O 3.42Å; L4-K171 CarbonylContact O-C 3.56Å; L4-K171 WeakPolarHBondContact O-CA 3.4Å; E8-K171 VanDerWaalsContact CD-NZ 3.33Å; E8-K171 IonicContact OE1-NZ 2.79Å; E8-K171 PolarHBondContact OE1-NZ 2.81Å; E8-K171 WeakPolarHBondContact OE2-CE 3.13Å; E8-K171 IonicContact OE2-NZ 3Å; E8-K171 PolarHBondContact OE2-NZ 3.05Å
172L97.4Very high96Very high41 Ų4162.4 Ų62.422%0.21535%0.353CS..EExtended strand (participates in β ladder)trans-120.9160.6179.4-62.1179.5000110.9M3 L4 M9 T135 E136 Y174M3-L172 CarbonylContact C-O 3.5Å; M3-L172 WeakPolarHBondContact CA-O 3.45Å; L4-L172 PolarHBondContact N-O 2.93Å; L4-L172 PolarHBondContact O-N 3.12Å; M9-L172 HydrophobicContact CE-CB 3.68Å; M9-L172 VanDerWaalsContact CE-O 3.25Å; M9-L172 WeakPolarHBondContact CE-O 3.23Å; T135-L172 HydrophobicContact CG2-CD1 3.91Å; E136-L172 HydrophobicContact CB-CD1 4.4Å; L172-Y174 PolarHBondContact O-N 3.01Å
173P97.7Very high95.6Very high64 Ų6474.8 Ų74.842%0.41640%0.399SS..EExtended strand (participates in β ladder)trans-64.6125.7177.9-15.128.2000111.5M1 M3M1-P173 HydrophobicContact CG-CB 3.94Å; M1-P173 HydrophobicContact SD-CB 3.47Å; M1-P173 WeakPolarHBondContact SD-CB 3.48Å; M3-P173 HydrophobicContact CE-CG 4.04Å; M3-P173 HydrophobicContact SD-CB 3.98Å; M3-P173 HydrophobicContact SD-CG 3.77Å
174Y98.1Very high95.3Very high16 Ų1675.1 Ų75.16%0.06341%0.414CS..  trans-85.8130.3175.9175.2-103.7000111.4E2 L4 M9 R12 S13 D16 P139 L172 W176E2-Y174 PolarHBondContact O-N 2.91Å; L4-Y174 HydrophobicContact CD1-CD1 4.31Å; L4-Y174 HydrophobicContact CD1-CD2 4.12Å; L4-Y174 HydrophobicContact CD1-CG 3.82Å; M9-Y174 HydrophobicContact CB-CD2 4.3Å; M9-Y174 HydrophobicContact CG-CD2 3.95Å; R12-Y174 HydrophobicContact CB-CE2 4.3Å; R12-Y174 HydrophobicContact CG-CD1 4.15Å; R12-Y174 HydrophobicContact CG-CE1 3.59Å; R12-Y174 HydrophobicContact CG-CE2 4.23Å; S13-Y174 WeakPolarHBondContact CA-OH 3.45Å; D16-Y174 WeakPolarHBondContact OD2-CE1 3.25Å; D16-Y174 VanDerWaalsContact OD2-CZ 3.3Å; D16-Y174 PolarHBondContact OD2-OH 3.45Å; P139-Y174 HydrophobicContact CB-CD2 4.49Å; P139-Y174 HydrophobicContact CB-CE2 4Å; P139-Y174 HydrophobicContact CG-CD2 3.8Å; P139-Y174 HydrophobicContact CG-CE2 3.73Å; L172-Y174 PolarHBondContact O-N 3.01Å; Y174-W176 HydrophobicContact CE1-CB 4.14Å
175V96.5Very high95.2Very high90 Ų9074.6 Ų74.655%0.54541%0.408SS..  trans-138.2111.3176.5-176.40000109.4M1 P139M1-V175 HydrophobicContact CE-CG2 4.23Å; M1-V175 HydrophobicContact SD-CG2 4.15Å; P139-V175 WeakPolarHBondContact CB-O 3.28Å
176W96.9Very high94.9Very high49 Ų4981.2 Ų81.219%0.18644%0.444CS..  trans-80.6126.7173.4-170.6-128.1000110.8S13 D16 Q17 P139 K143 Y174 E178S13-W176 VanDerWaalsContact CB-CZ3 3.41Å; S13-W176 WeakPolarHBondContact O-CH2 3.36Å; D16-W176 HydrophobicContact CB-CD2 3.97Å; D16-W176 HydrophobicContact CB-CG 3.93Å; D16-W176 HydrophobicContact CB-CZ2 4.41Å; D16-W176 PolarHBondContact O-NE1 3.4Å; Q17-W176 HydrophobicContact CB-CH2 4.09Å; Q17-W176 HydrophobicContact CB-CZ2 3.77Å; Q17-W176 HydrophobicContact CG-CZ2 4.44Å; P139-W176 HydrophobicContact CB-CE3 3.99Å; P139-W176 HydrophobicContact CB-CZ3 4.31Å; P139-W176 VanDerWaalsContact O-CZ3 3.27Å; P139-W176 WeakPolarHBondContact O-CZ3 3.49Å; K143-W176 HydrophobicContact CB-CH2 4Å; K143-W176 HydrophobicContact CB-CZ2 4.44Å; K143-W176 HydrophobicContact CB-CZ3 4.22Å; K143-W176 HydrophobicContact CD-CD2 4.39Å; K143-W176 HydrophobicContact CD-CH2 3.66Å; K143-W176 HydrophobicContact CD-CZ2 3.23Å; K143-W176 HydrophobicContact CD-CZ3 4.39Å; K143-W176 HydrophobicContact CG-CH2 4.47Å; K143-W176 HydrophobicContact CG-CZ2 4.43Å; Y174-W176 HydrophobicContact CE1-CB 4.14Å; W176-E178 PolarHBondContact O-N 2.85Å
177P96.2Very high94.5Very high27 Ų2782.6 Ų82.618%0.17545%0.453CS..  trans-71.2129.5176.8-11.224.3000111.7Q140 K143 S179Q140-P177 HydrophobicContact CB-CG 4.25Å; Q140-P177 HydrophobicContact CG-CG 4.2Å; K143-P177 HydrophobicContact CB-CG 4.18Å; K143-P177 WeakPolarHBondContact CE-O 3.27Å; K143-P177 HydrophobicContact CG-CB 4.39Å; K143-P177 HydrophobicContact CG-CG 4.43Å; P177-S179 VanDerWaalsContact C-N 3.32Å; P177-S179 PolarHBondContact O-N 3.28Å
178E93.7Very high94.3Very high195 Ų19582.7 Ų82.791%0.91146%0.456SS*.SBendtrans-66.3-34.9173.9-65.5-175.917400112.3W176W176-E178 PolarHBondContact O-N 2.85Å
179S93.1Very high94.2Very high99 Ų9983 Ų8369%0.69246%0.457SS*.  trans-141.3159.4178.465.30000111.8P177P177-S179 VanDerWaalsContact C-N 3.32Å; P177-S179 PolarHBondContact O-N 3.28Å
180V92.5Very high94.2Very high33 Ų3382.8 Ų82.820%0.245%0.446CS..  trans-127145.7173.7-75.40000110.2K143 K144 W147K143-V180 HydrophobicContact CB-CG1 3.66Å; K143-V180 HydrophobicContact CG-CB 4.4Å; K143-V180 HydrophobicContact CG-CG1 3.29Å; K143-V180 HydrophobicContact CG-CG2 4.29Å; K144-V180 HydrophobicContact CG-CB 4.23Å; K144-V180 HydrophobicContact CG-CG1 3.91Å; W147-V180 HydrophobicContact CB-CG2 3.68Å; W147-V180 HydrophobicContact CD2-CG2 3.98Å; W147-V180 HydrophobicContact CE3-CG2 4.22Å; W147-V180 HydrophobicContact CG-CG2 3.76Å
181S90.4Very high94.2Very high104 Ų10479.5 Ų79.573%0.72743%0.43SS*.  trans-139.8147.9167.564.90000109.3
182M93.2Very high94.1Very high37 Ų3781.1 Ų81.118%0.18244%0.439CS..BIsolated β-bridgetrans-130.3121.5171.3-71.6-178.957.400108.6K144 W147 L148 S184 Y185K144-M182 HydrophobicContact CB-SD 4.49Å; K144-M182 HydrophobicContact CG-SD 4.5Å; W147-M182 HydrophobicContact CE3-SD 4.47Å; W147-M182 HydrophobicContact CH2-CB 4.34Å; W147-M182 HydrophobicContact CZ3-CB 3.87Å; W147-M182 HydrophobicContact CZ3-CG 3.82Å; W147-M182 HydrophobicContact CZ3-SD 4.02Å; L148-M182 HydrophobicContact CD1-CE 4.29Å; L148-M182 HydrophobicContact CD1-SD 3.76Å; L148-M182 HydrophobicContact CD2-SD 4.04Å; L148-M182 HydrophobicContact CG-SD 4.02Å; M182-S184 PolarHBondContact O-N 3.04Å; M182-S184 VanDerWaalsContact O-N 3.08Å; M182-Y185 PolarHBondContact O-N 3.23Å
183R91Very high94Very high260 Ų26086.9 Ų86.998%0.98146%0.463SS*.THydrogen-bonded Turntrans-51.7-37.3-178.7-174.2-174.770.3177.10.6113
184S90.9Very high94Very high108 Ų10885.9 Ų85.976%0.75546%0.464SS*.THydrogen-bonded Turntrans-87.3-2.8-175.855.30000114.6M182M182-S184 PolarHBondContact O-N 3.04Å; M182-S184 VanDerWaalsContact O-N 3.08Å
185Y94.8Very high94Very high50 Ų5087.8 Ų87.820%0.19647%0.473CS..BIsolated β-bridgetrans-140111.1-173.8-177.6-96.1000110.5K127 W147 L148 S151 M182 P187K127-Y185 PolarHBondContact NZ-OH 3.05Å; W147-Y185 HydrophobicContact CE3-CD1 4.24Å; W147-Y185 HydrophobicContact CE3-CE1 4.46Å; W147-Y185 AromaticContact CH2-CD1 3.41Å; W147-Y185 HydrophobicContact CH2-CD1 3.41Å; W147-Y185 VanDerWaalsContact CH2-CD1 3.41Å; W147-Y185 HydrophobicContact CH2-CE1 4.03Å; W147-Y185 HydrophobicContact CH2-CG 4.48Å; W147-Y185 VanDerWaalsContact CH2-O 3.31Å; W147-Y185 WeakPolarHBondContact CH2-O 3.42Å; W147-Y185 AromaticContact CZ2-CD1 3.94Å; W147-Y185 HydrophobicContact CZ2-CD1 3.94Å; W147-Y185 HydrophobicContact CZ2-CE1 4.11Å; W147-Y185 AromaticContact CZ3-CD1 3.54Å; W147-Y185 HydrophobicContact CZ3-CD1 3.54Å; W147-Y185 HydrophobicContact CZ3-CE1 4.16Å; L148-Y185 HydrophobicContact CD2-CD1 3.58Å; L148-Y185 HydrophobicContact CD2-CD2 4.2Å; L148-Y185 HydrophobicContact CD2-CE1 3.75Å; L148-Y185 HydrophobicContact CD2-CE2 4.34Å; L148-Y185 HydrophobicContact CD2-CG 3.81Å; S151-Y185 PolarHBondContact O-OH 3.13Å; S151-Y185 VanDerWaalsContact OG-CE1 3.22Å; S151-Y185 WeakPolarHBondContact OG-CE1 3.43Å; S151-Y185 PolarHBondContact OG-OH 2.92Å; M182-Y185 PolarHBondContact O-N 3.23Å; Y185-P187 HydrophobicContact CE1-CG 3.98Å
186N91.3Very high94Very high147 Ų14783.5 Ų83.579%0.78645%0.447SS*.  trans-144.788.2177.3-170.922.5000108.8
187P91.7Very high94Very high30 Ų3085.8 Ų85.820%0.19546%0.458CS..  trans-66136.3-173.326.2-32.7000111.2Y185 T189Y185-P187 HydrophobicContact CE1-CG 3.98Å; P187-T189 PolarHBondContact O-N 3.45Å
188T92.4Very high94Very high74 Ų7490.5 Ų90.545%0.45447%0.473SS..  trans-82.1111.3176.4-59.90000109.2I305 V321T188-I305 VanDerWaalsContact O-CD1 3.25Å; T188-I305 WeakPolarHBondContact O-CD1 3.34Å; T188-V321 HydrophobicContact CG2-CG1 4.32Å
189T93.8Very high94.2Very high58 Ų5881.2 Ų81.236%0.35643%0.43SS..  trans-99.6-27.3-178.753.30000113P187 I305 D323P187-T189 PolarHBondContact O-N 3.45Å; T189-I305 HydrophobicContact CG2-CD1 4.34Å; T189-D323 WeakPolarHBondContact O-CB 3.32Å; T189-D323 PolarHBondContact O-N 3.26Å
190T94.2Very high94.4Very high85 Ų8576.6 Ų76.652%0.52140%0.397SS..SBendtrans-96.6121.9179.947.30000110.5Q326T190-Q326 VanDerWaalsContact CG2-OE1 3.27Å
191G94.5Very high94.6Very high6 Ų678.9 Ų78.96%0.06241%0.406CS..  trans-68.6152.2175.800000112.9K193 V321G191-K193 PolarHBondContact O-N 3.02Å; G191-V321 WeakPolarHBondContact CA-O 3.4Å
192H96.3Very high94.9Very high131 Ų13175.7 Ų75.761%0.60638%0.382SS*.  trans-70.3114.6178.1-177.6-89.3000111G194 Q195 I196H192-G194 PolarHBondContact ND1-N 3.14Å; H192-G194 PolarHBondContact O-N 2.96Å; H192-Q195 HydrophobicContact CB-CB 4.38Å; H192-Q195 HydrophobicContact CB-CG 4.2Å; H192-Q195 PolarHBondContact ND1-N 3.47Å; H192-Q195 PolarHBondContact O-N 2.83Å; H192-I196 PolarHBondContact O-N 2.83Å
193K95.3Very high95.1Very high162 Ų16274 Ų7470%0.70437%0.373SS*.Hα-helixtrans-46.4-42.1-176.1-66.8-173176.4-1710114.5G191 I196 K197G191-K193 PolarHBondContact O-N 3.02Å; K193-I196 PolarHBondContact O-N 3.36Å; K193-K197 WeakPolarHBondContact O-CB 3.28Å; K193-K197 PolarHBondContact O-N 3.01Å
194G96.8Very high95.4Very high43 Ų4361.7 Ų61.744%0.44333%0.327SS..Hα-helixtrans-66.4-35.5178.600000113.9H192 R198H192-G194 PolarHBondContact ND1-N 3.14Å; H192-G194 PolarHBondContact O-N 2.96Å; G194-R198 WeakPolarHBondContact O-CB 3.37Å; G194-R198 PolarHBondContact O-N 3.26Å
195Q97.5Very high95.7Very high56 Ų5659.8 Ų59.826%0.26232%0.318SS..Hα-helixtrans-73.7-40.1176.5-66.3-66.62.500110.4H192 K197 R198 A199 I318 I320H192-Q195 HydrophobicContact CB-CB 4.38Å; H192-Q195 HydrophobicContact CB-CG 4.2Å; H192-Q195 PolarHBondContact ND1-N 3.47Å; H192-Q195 PolarHBondContact O-N 2.83Å; Q195-K197 PolarHBondContact O-N 3.23Å; Q195-R198 PolarHBondContact O-N 3.31Å; Q195-A199 WeakPolarHBondContact O-CB 3.13Å; Q195-A199 PolarHBondContact O-N 2.84Å; Q195-I318 HydrophobicContact CB-CG2 4.41Å; Q195-I320 HydrophobicContact CB-CG1 4.05Å
196I97.7Very high95.8Very high0 Ų057.6 Ų57.60%031%0.31CS..Hα-helixtrans-58.5-49.4174.8-61.7177.6000110.3H192 K193 R198 A199 L200 I320 V327 Q330 M331 L334H192-I196 PolarHBondContact O-N 2.83Å; K193-I196 PolarHBondContact O-N 3.36Å; I196-R198 PolarHBondContact O-N 2.74Å; I196-A199 PolarHBondContact O-N 2.82Å; I196-L200 WeakPolarHBondContact O-CB 3.25Å; I196-L200 PolarHBondContact O-N 3.24Å; I196-I320 HydrophobicContact CG1-CD1 4.36Å; I196-I320 HydrophobicContact CG1-CG2 4.09Å; I196-V327 HydrophobicContact CD1-CG1 4.21Å; I196-V327 HydrophobicContact CD1-CG2 4.45Å; I196-V327 HydrophobicContact CG1-CG1 4.16Å; I196-Q330 HydrophobicContact CD1-CB 4.07Å; I196-Q330 HydrophobicContact CG2-CB 4.38Å; I196-M331 HydrophobicContact CG2-CB 4.42Å; I196-M331 HydrophobicContact CG2-CG 3.38Å; I196-L334 HydrophobicContact CG2-CD1 3.9Å
197K96.5Very high96.1Very high96 Ų9655.2 Ų55.242%0.41729%0.293SS..Hα-helixtrans-59.9-45.5177-175.1172.2-177.5171.50112K193 Q195 A199 L200 Q201 L334K193-K197 WeakPolarHBondContact O-CB 3.28Å; K193-K197 PolarHBondContact O-N 3.01Å; Q195-K197 PolarHBondContact O-N 3.23Å; K197-A199 PolarHBondContact O-N 3.23Å; K197-L200 PolarHBondContact O-N 3.49Å; K197-Q201 WeakPolarHBondContact O-CG 3.47Å; K197-Q201 PolarHBondContact O-N 2.72Å; K197-L334 HydrophobicContact CB-CD1 4.16Å
198R97.2Very high96.5Very high127 Ų12757.4 Ų57.448%0.47930%0.299SS..Hα-helixtrans-63.2-41.5178.4-168-170.1164.1-163.7-7.6111.8G194 Q195 I196 Q201 T202 I318G194-R198 WeakPolarHBondContact O-CB 3.37Å; G194-R198 PolarHBondContact O-N 3.26Å; Q195-R198 PolarHBondContact O-N 3.31Å; I196-R198 PolarHBondContact O-N 2.74Å; R198-Q201 PolarHBondContact O-N 2.65Å; R198-T202 WeakPolarHBondContact O-CB 3.42Å; R198-T202 PolarHBondContact O-N 2.99Å; R198-T202 PolarHBondContact O-OG1 3.06Å; R198-I318 HydrophobicContact CB-CD1 4.24Å; R198-I318 HydrophobicContact CG-CD1 3.65Å
199A97.8Very high96.7Very high0 Ų053.9 Ų53.90%028%0.277CS..Hα-helixtrans-62-46.8175.200000111.2Q195 I196 K197 Q201 T202 L203 L301 I318 I320Q195-A199 WeakPolarHBondContact O-CB 3.13Å; Q195-A199 PolarHBondContact O-N 2.84Å; I196-A199 PolarHBondContact O-N 2.82Å; K197-A199 PolarHBondContact O-N 3.23Å; A199-Q201 PolarHBondContact O-N 3.45Å; A199-T202 PolarHBondContact O-N 2.8Å; A199-L203 WeakPolarHBondContact O-CB 3.39Å; A199-L203 PolarHBondContact O-N 2.61Å; A199-L301 HydrophobicContact CB-CD1 4.19Å; A199-L301 HydrophobicContact CB-CD2 4.39Å; A199-L301 WeakPolarHBondContact O-CD1 3.08Å; A199-I318 HydrophobicContact CB-CG2 3.96Å; A199-I320 HydrophobicContact CB-CD1 3.71Å
200L97.1Very high97Very high1 Ų151.1 Ų51.11%0.00526%0.26CS..Hα-helixtrans-58.8-48.1177.1-179.363.8000111.7I196 K197 T202 L203 V204 L233 M331 L334 L335I196-L200 WeakPolarHBondContact O-CB 3.25Å; I196-L200 PolarHBondContact O-N 3.24Å; K197-L200 PolarHBondContact O-N 3.49Å; L200-T202 VanDerWaalsContact C-N 3.31Å; L200-T202 PolarHBondContact O-N 3.32Å; L200-L203 PolarHBondContact O-N 3.15Å; L200-V204 HydrophobicContact CD1-CG2 4.21Å; L200-V204 HydrophobicContact CG-CG2 4.45Å; L200-V204 VanDerWaalsContact O-CG2 3.32Å; L200-V204 WeakPolarHBondContact O-CG2 3.5Å; L200-V204 PolarHBondContact O-N 2.85Å; L200-L233 HydrophobicContact CD1-CD1 4.47Å; L200-M331 HydrophobicContact CB-CE 4.25Å; L200-M331 HydrophobicContact CD1-CE 4.13Å; L200-L334 HydrophobicContact CD2-CB 3.56Å; L200-L335 HydrophobicContact CD1-CB 4.3Å; L200-L335 HydrophobicContact CD1-CD1 4.24Å; L200-L335 HydrophobicContact CD2-CB 4.16Å
201Q96.3Very high97.2Very high82 Ų8247 Ų4738%0.38324%0.236SC..Hα-helixtrans-61.8-40.1178.2-71.4178-25.600112.2K197 R198 A199 A205K197-Q201 WeakPolarHBondContact O-CG 3.47Å; K197-Q201 PolarHBondContact O-N 2.72Å; R198-Q201 PolarHBondContact O-N 2.65Å; A199-Q201 PolarHBondContact O-N 3.45Å; Q201-A205 WeakPolarHBondContact O-CB 3.44Å; Q201-A205 PolarHBondContact O-N 3.47Å
202T97.3Very high97.4Very high37 Ų3747 Ų4723%0.22723%0.234CC..Hα-helixtrans-64.7-42.4175.9-54.50000111R198 A199 L200 A205 A206 V275 T299 L301 I318R198-T202 WeakPolarHBondContact O-CB 3.42Å; R198-T202 PolarHBondContact O-N 2.99Å; R198-T202 PolarHBondContact O-OG1 3.06Å; A199-T202 PolarHBondContact O-N 2.8Å; L200-T202 VanDerWaalsContact C-N 3.31Å; L200-T202 PolarHBondContact O-N 3.32Å; T202-A205 PolarHBondContact O-N 3.49Å; T202-A206 PolarHBondContact O-N 3.48Å; T202-A206 VanDerWaalsContact O-N 3.16Å; T202-V275 HydrophobicContact CG2-CG2 4.2Å; T202-T299 HydrophobicContact CG2-CG2 4.15Å; T202-L301 HydrophobicContact CG2-CD2 4.08Å; T202-I318 WeakPolarHBondContact OG1-CD1 3.25Å
203L97.2Very high97.5Very high0 Ų040.8 Ų40.80%021%0.205CC..Hα-helixtrans-67.5-39.9179.3-171.860.8000112.4A199 L200 A206 P209 L233 L235 V275 F277 L301 M331A199-L203 WeakPolarHBondContact O-CB 3.39Å; A199-L203 PolarHBondContact O-N 2.61Å; L200-L203 PolarHBondContact O-N 3.15Å; L203-A206 WeakPolarHBondContact O-CB 3.3Å; L203-A206 PolarHBondContact O-N 3.42Å; L203-P209 HydrophobicContact CD1-CB 3.97Å; L203-L233 HydrophobicContact CD2-CD1 3.92Å; L203-L233 HydrophobicContact CG-CD1 4.23Å; L203-L235 HydrophobicContact CD1-CD1 4.17Å; L203-L235 HydrophobicContact CD1-CD2 4.42Å; L203-L235 HydrophobicContact CD2-CD1 3.89Å; L203-L235 HydrophobicContact CG-CD1 4.18Å; L203-V275 HydrophobicContact CD1-CG1 4.15Å; L203-F277 HydrophobicContact CD1-CB 4.06Å; L203-F277 HydrophobicContact CD2-CB 4.47Å; L203-F277 HydrophobicContact CD2-CD1 3.71Å; L203-F277 HydrophobicContact CD2-CE1 4.13Å; L203-F277 HydrophobicContact CD2-CG 4.13Å; L203-L301 HydrophobicContact CB-CD1 4.07Å; L203-L301 HydrophobicContact CD1-CD1 4.49Å; L203-M331 HydrophobicContact CD2-CE 4.23Å
204V96.7Very high97.7Very high3 Ų333.1 Ų33.12%0.01817%0.172CC..Hα-helixtrans-67.3-37.4176.5170.60000111.5L200 A206 L233 L335 A340 Q342 P343L200-V204 HydrophobicContact CD1-CG2 4.21Å; L200-V204 HydrophobicContact CG-CG2 4.45Å; L200-V204 VanDerWaalsContact O-CG2 3.32Å; L200-V204 WeakPolarHBondContact O-CG2 3.5Å; L200-V204 PolarHBondContact O-N 2.85Å; V204-A206 VanDerWaalsContact C-N 3.3Å; V204-A206 PolarHBondContact O-N 2.97Å; V204-L233 HydrophobicContact CG2-CD2 3.93Å; V204-L335 HydrophobicContact CG2-CD1 4.28Å; V204-A340 HydrophobicContact CG1-CB 3.85Å; V204-Q342 HydrophobicContact CG1-CG 4.18Å; V204-Q342 WeakPolarHBondContact O-CA 3.11Å; V204-P343 WeakPolarHBondContact O-CD 3.27Å
205A96.6Very high97.7Very high68 Ų6832 Ų3256%0.56216%0.161SC*.Hα-helixtrans-80-8.4179.400000114.2Q201 T202Q201-A205 WeakPolarHBondContact O-CB 3.44Å; Q201-A205 PolarHBondContact O-N 3.47Å; T202-A205 PolarHBondContact O-N 3.49Å
206A97.8Very high97.8Very high3 Ų330.8 Ų30.83%0.02516%0.163CC..  trans-65142.3-177.600000112T202 L203 V204 P209 V275 P343T202-A206 PolarHBondContact O-N 3.48Å; T202-A206 VanDerWaalsContact O-N 3.16Å; L203-A206 WeakPolarHBondContact O-CB 3.3Å; L203-A206 PolarHBondContact O-N 3.42Å; V204-A206 VanDerWaalsContact C-N 3.3Å; V204-A206 PolarHBondContact O-N 2.97Å; A206-P209 HydrophobicContact CB-CB 3.71Å; A206-P209 HydrophobicContact CB-CG 4.03Å; A206-V275 HydrophobicContact CB-CB 3.85Å; A206-V275 HydrophobicContact CB-CG2 3.52Å; A206-P343 WeakPolarHBondContact O-CG 3.25Å
207K98.1Very high97.8Very high98 Ų9830.8 Ų30.843%0.42616%0.163SC..SBendtrans-96-30.2177.9-64.4179.8174.6-136.10112.1P209 D274 P343 E346K207-P209 VanDerWaalsContact C-CD 3.47Å; K207-D274 WeakPolarHBondContact CA-OD2 3.38Å; K207-D274 WeakPolarHBondContact CB-OD2 3.12Å; K207-D274 PolarHBondContact N-OD2 3.48Å; K207-P343 HydrophobicContact CG-CG 4.14Å; K207-E346 HydrophobicContact CB-CB 3.86Å; K207-E346 HydrophobicContact CB-CG 4.27Å; K207-E346 HydrophobicContact CD-CG 4.03Å; K207-E346 WeakPolarHBondContact CE-OE1 3.27Å; K207-E346 HydrophobicContact CG-CB 4.02Å; K207-E346 HydrophobicContact CG-CG 4.06Å; K207-E346 IonicContact NZ-OE1 3.74Å; K207-E346 PolarHBondContact NZ-OE1 2.9Å
208K98.5Very high97.9Very high75 Ų7527.1 Ų27.133%0.32615%0.147SC..SBendtrans-133.955.8179.7-59.4-174.5-179.1-165.80111.3N272 A273 D274 W350K208-N272 WeakPolarHBondContact CD-O 3.47Å; K208-A273 VanDerWaalsContact O-CA 3.24Å; K208-A273 WeakPolarHBondContact O-CA 3.47Å; K208-A273 WeakPolarHBondContact O-CB 3.42Å; K208-D274 WeakPolarHBondContact CA-OD1 3.44Å; K208-D274 HydrophobicContact CB-CB 4.32Å; K208-D274 PolarHBondContact N-OD1 2.81Å; K208-D274 PolarHBondContact N-OD2 3.27Å; K208-D274 VanDerWaalsContact N-OD2 3.15Å; K208-D274 PolarHBondContact O-N 3.06Å; K208-D274 VanDerWaalsContact O-N 3.13Å; K208-W350 HydrophobicContact CB-CD2 3.76Å; K208-W350 HydrophobicContact CB-CE3 4.1Å; K208-W350 HydrophobicContact CB-CG 4.11Å; K208-W350 HydrophobicContact CB-CH2 4.42Å; K208-W350 HydrophobicContact CB-CZ2 4.09Å; K208-W350 HydrophobicContact CB-CZ3 4.42Å; K208-W350 HydrophobicContact CD-CD2 4.32Å; K208-W350 HydrophobicContact CD-CE3 3.81Å; K208-W350 HydrophobicContact CD-CZ3 3.94Å; K208-W350 HydrophobicContact CG-CB 4.41Å; K208-W350 HydrophobicContact CG-CD2 3.85Å; K208-W350 HydrophobicContact CG-CE3 3.84Å; K208-W350 HydrophobicContact CG-CG 4.13Å; K208-W350 HydrophobicContact CG-CZ3 4.36Å
209P98.5Very high97.9Very high0 Ų023.8 Ų23.80%014%0.141CC..EExtended strand (participates in β ladder)trans-71.1155-17830.7-35.2000111.8L203 A206 K207 L235 P236 V275 I347 W350L203-P209 HydrophobicContact CD1-CB 3.97Å; A206-P209 HydrophobicContact CB-CB 3.71Å; A206-P209 HydrophobicContact CB-CG 4.03Å; K207-P209 VanDerWaalsContact C-CD 3.47Å; P209-L235 HydrophobicContact CB-CD2 3.81Å; P209-L235 HydrophobicContact CG-CD2 3.48Å; P209-L235 VanDerWaalsContact CG-CD2 3.48Å; P209-P236 WeakPolarHBondContact O-CD 3.34Å; P209-P236 WeakPolarHBondContact O-CG 3.3Å; P209-V275 WeakPolarHBondContact CA-O 3.41Å; P209-I347 HydrophobicContact CG-CD1 3.74Å; P209-W350 PolarHBondContact O-NE1 3.47Å
210V98.8Very high97.9Very high0 Ų024.6 Ų24.60%015%0.148CC..EExtended strand (participates in β ladder)trans-144.3141167.564.50000110.5P236 V238 T269 M270 A273 V275 I276 F277V210-P236 HydrophobicContact CB-CG 4.27Å; V210-P236 HydrophobicContact CG2-CG 4.3Å; V210-V238 HydrophobicContact CG2-CG1 4.05Å; V210-V238 HydrophobicContact CG2-CG2 4.02Å; V210-T269 HydrophobicContact CB-CG2 4.04Å; V210-T269 HydrophobicContact CG2-CG2 3.78Å; V210-M270 HydrophobicContact CG1-SD 3.59Å; V210-M270 VanDerWaalsContact CG1-SD 3.59Å; V210-M270 HydrophobicContact CG2-SD 4.15Å; V210-A273 HydrophobicContact CB-CB 4.34Å; V210-A273 HydrophobicContact CG1-CB 3.53Å; V210-V275 PolarHBondContact N-O 3.05Å; V210-I276 HydrophobicContact CG1-CB 4.49Å; V210-I276 HydrophobicContact CG1-CG1 3.86Å; V210-F277 PolarHBondContact O-N 3.13Å
211V98.9Very high97.9Very high0 Ų025.6 Ų25.60%016%0.159CC..EExtended strand (participates in β ladder)trans-94.6122.5171.4-171.10000109.2V213 L226 V230 L235 P236 V237 V238 F277 V279V211-V213 HydrophobicContact CG1-CG2 3.8Å; V211-L226 HydrophobicContact CG1-CD1 3.96Å; V211-V230 HydrophobicContact CG2-CG2 4.02Å; V211-L235 HydrophobicContact CG2-CB 3.79Å; V211-L235 HydrophobicContact CG2-CD1 3.6Å; V211-L235 HydrophobicContact CG2-CG 4.34Å; V211-P236 PolarHBondContact N-O 3.27Å; V211-V237 HydrophobicContact CB-CG2 4.33Å; V211-V238 WeakPolarHBondContact O-CG2 3.31Å; V211-V238 PolarHBondContact O-N 3Å; V211-F277 CarbonylContact C-O 3.5Å; V211-F277 WeakPolarHBondContact CA-O 3.22Å; V211-F277 HydrophobicContact CG1-CD1 4.11Å; V211-F277 HydrophobicContact CG2-CB 4.48Å; V211-F277 HydrophobicContact CG2-CD1 4.1Å; V211-V279 HydrophobicContact CG1-CG2 4.13Å
212Y98.8Very high98Very high5 Ų521.7 Ų21.72%0.0214%0.141CC..EExtended strand (participates in β ladder)trans-105.9111.4175.2174.1-151.8000110.4V238 L258 M270 F277 A278 V279 V281 F283 T287Y212-V238 HydrophobicContact CD2-CG2 4.09Å; Y212-V238 HydrophobicContact CG-CG2 4.38Å; Y212-L258 HydrophobicContact CD2-CD1 4.45Å; Y212-L258 HydrophobicContact CD2-CD2 3.41Å; Y212-L258 VanDerWaalsContact CD2-CD2 3.41Å; Y212-L258 HydrophobicContact CE2-CD1 4.15Å; Y212-L258 HydrophobicContact CE2-CD2 3.31Å; Y212-L258 HydrophobicContact CE2-CG 4.22Å; Y212-L258 HydrophobicContact CG-CD2 4.43Å; Y212-M270 HydrophobicContact CD1-CE 4.16Å; Y212-M270 HydrophobicContact CG-CE 4.29Å; Y212-F277 PolarHBondContact N-O 2.82Å; Y212-A278 WeakPolarHBondContact O-CA 3.39Å; Y212-V279 PolarHBondContact O-N 3.4Å; Y212-V281 HydrophobicContact CD1-CB 4.09Å; Y212-V281 HydrophobicContact CD1-CG1 3.81Å; Y212-V281 HydrophobicContact CD1-CG2 3.83Å; Y212-V281 HydrophobicContact CD2-CG1 3.85Å; Y212-V281 HydrophobicContact CE1-CB 3.69Å; Y212-V281 HydrophobicContact CE1-CG1 3.66Å; Y212-V281 HydrophobicContact CE1-CG2 3.8Å; Y212-V281 HydrophobicContact CE2-CB 4.47Å; Y212-V281 HydrophobicContact CE2-CG1 3.64Å; Y212-V281 HydrophobicContact CG-CG1 3.91Å; Y212-V281 WeakPolarHBondContact O-CG1 3.32Å; Y212-F283 HydrophobicContact CD1-CD1 4.5Å; Y212-F283 HydrophobicContact CD1-CE1 4.04Å; Y212-F283 HydrophobicContact CD1-CZ 4.49Å; Y212-F283 HydrophobicContact CE1-CD1 4.06Å; Y212-F283 HydrophobicContact CE1-CE1 4.06Å; Y212-T287 PolarHBondContact OH-OG1 3.3Å
213V98.7Very high98Very high0 Ų023.9 Ų23.90%015%0.148CC..EExtended strand (participates in β ladder)trans-104.9130.8-171.3-171.30000111.8V211 A217 L226 V237 V238 S240 A246V211-V213 HydrophobicContact CG1-CG2 3.8Å; V213-A217 HydrophobicContact CG1-CB 3.5Å; V213-A217 VanDerWaalsContact CG1-CB 3.5Å; V213-L226 HydrophobicContact CB-CD2 4.5Å; V213-L226 HydrophobicContact CG1-CD2 3.81Å; V213-L226 HydrophobicContact CG2-CD1 4.18Å; V213-L226 HydrophobicContact CG2-CD2 3.82Å; V213-V237 HydrophobicContact CG2-CG1 3.67Å; V213-V238 PolarHBondContact N-O 3.2Å; V213-S240 PolarHBondContact O-N 2.93Å; V213-S240 PolarHBondContact O-OG 3.43Å; V213-A246 HydrophobicContact CG1-CB 3.52Å
214G98.4Very high98.1Very high1 Ų128.1 Ų28.11%0.0117%0.168CC..  trans-114.7-177.6-178.900000114.6G216 A217 S240 V279 G280 V281G214-G216 PolarHBondContact O-N 2.85Å; G214-A217 WeakPolarHBondContact O-CB 3.44Å; G214-A217 PolarHBondContact O-N 2.84Å; G214-A217 VanDerWaalsContact O-N 3.14Å; G214-S240 WeakPolarHBondContact CA-OG 3.15Å; G214-V279 PolarHBondContact N-O 3.42Å; G214-G280 CarbonylContact C-O 3.58Å; G214-G280 VanDerWaalsContact CA-O 3.23Å; G214-G280 WeakPolarHBondContact CA-O 3.32Å; G214-V281 VanDerWaalsContact CA-CG1 3.44Å
215G98.3Very high98.1Very high21 Ų2129.1 Ų29.122%0.21617%0.172CC..Hα-helixtrans-62.1-24.4175.600000113.6A217 I218 T219 M242 G280G215-A217 PolarHBondContact O-N 2.86Å; G215-I218 WeakPolarHBondContact O-CB 3.46Å; G215-I218 PolarHBondContact O-N 3.37Å; G215-I218 VanDerWaalsContact O-N 3.16Å; G215-T219 PolarHBondContact O-N 2.73Å; G215-T219 PolarHBondContact O-OG1 2.8Å; G215-M242 WeakPolarHBondContact CA-O 3Å; G215-G280 PolarHBondContact N-O 3.25Å
216G98.3Very high98.2Very high29 Ų2925.9 Ų25.930%0.29915%0.145SC..Hα-helixtrans-61.8-29.4174.500000113.2G214 A220 G280G214-G216 PolarHBondContact O-N 2.85Å; G216-A220 VanDerWaalsContact O-CB 3.26Å; G216-A220 WeakPolarHBondContact O-CB 3.46Å; G216-A220 PolarHBondContact O-N 3.17Å; G216-G280 PolarHBondContact N-O 2.94Å
217A98.5Very high98.3Very high0 Ų028.9 Ų28.90%016%0.158CC..Hα-helixtrans-69.9-37.8175.400000112.5V213 G214 G215 G221 C222 A246 V279V213-A217 HydrophobicContact CG1-CB 3.5Å; V213-A217 VanDerWaalsContact CG1-CB 3.5Å; G214-A217 WeakPolarHBondContact O-CB 3.44Å; G214-A217 PolarHBondContact O-N 2.84Å; G214-A217 VanDerWaalsContact O-N 3.14Å; G215-A217 PolarHBondContact O-N 2.86Å; A217-G221 PolarHBondContact O-N 3.02Å; A217-C222 VanDerWaalsContact CA-SG 3.56Å; A217-C222 PolarHBondContact O-N 3.05Å; A217-C222 PolarHBondContact O-SG 3.15Å; A217-A246 HydrophobicContact CB-CB 4.09Å; A217-V279 HydrophobicContact CB-CG1 4.34Å
218I98.3Very high98.2Very high19 Ų1928.1 Ų28.110%0.09716%0.156CC..Hα-helixtrans-63.7-49.9173.6-62.1-68.1000109.9G215 G221 A246 P411 R412G215-I218 WeakPolarHBondContact O-CB 3.46Å; G215-I218 PolarHBondContact O-N 3.37Å; G215-I218 VanDerWaalsContact O-N 3.16Å; I218-G221 PolarHBondContact O-N 3.19Å; I218-G221 VanDerWaalsContact O-N 3.08Å; I218-A246 HydrophobicContact CD1-CB 3.59Å; I218-A246 HydrophobicContact CG1-CB 4.11Å; I218-P411 HydrophobicContact CD1-CB 3.77Å; I218-R412 HydrophobicContact CG2-CG 3.67Å
219T97.2Very high98.2Very high57 Ų5724.7 Ų24.735%0.3514%0.141SC..Hα-helixtrans-61.9-45.9-178-63.60000112.2P154 G215 G221P154-T219 HydrophobicContact CG-CG2 3.53Å; G215-T219 PolarHBondContact O-N 2.73Å; G215-T219 PolarHBondContact O-OG1 2.8Å; T219-G221 PolarHBondContact O-N 3.21Å
220A97.5Very high98.1Very high17 Ų1724.7 Ų24.714%0.1414%0.142CC..Hα-helixtrans-68.1-14.7176.700000113.1G216 C222 A324 R325G216-A220 VanDerWaalsContact O-CB 3.26Å; G216-A220 WeakPolarHBondContact O-CB 3.46Å; G216-A220 PolarHBondContact O-N 3.17Å; A220-C222 VanDerWaalsContact C-N 3.28Å; A220-C222 HydrophobicContact CB-CB 4.44Å; A220-C222 PolarHBondContact O-N 2.95Å; A220-A324 HydrophobicContact CB-CB 3.98Å; A220-R325 HydrophobicContact CB-CB 4.33Å
221G97.4Very high98.1Very high23 Ų2328.8 Ų28.824%0.23716%0.16CC..THydrogen-bonded Turntrans67.127.8-177.600000113.2A217 I218 T219 H223A217-G221 PolarHBondContact O-N 3.02Å; I218-G221 PolarHBondContact O-N 3.19Å; I218-G221 VanDerWaalsContact O-N 3.08Å; T219-G221 PolarHBondContact O-N 3.21Å; G221-H223 VanDerWaalsContact C-N 3.29Å; G221-H223 PolarHBondContact O-N 3.35Å; G221-H223 PolarHBondContact O-ND1 3.46Å; G221-H223 VanDerWaalsContact O-ND1 3.14Å
222C97.9Very high97.9Very high0 Ų031.7 Ų31.70%018%0.184CC..  trans-87.515.8-171.172.60000114.9A217 A220 Q224 Q225 L226 R325 L328A217-C222 VanDerWaalsContact CA-SG 3.56Å; A217-C222 PolarHBondContact O-N 3.05Å; A217-C222 PolarHBondContact O-SG 3.15Å; A220-C222 VanDerWaalsContact C-N 3.28Å; A220-C222 HydrophobicContact CB-CB 4.44Å; A220-C222 PolarHBondContact O-N 2.95Å; C222-Q224 VanDerWaalsContact C-N 3.29Å; C222-Q224 PolarHBondContact O-N 3.17Å; C222-Q225 PolarHBondContact O-N 2.91Å; C222-Q225 PolarHBondContact O-OE1 3.31Å; C222-L226 WeakPolarHBondContact O-CB 3.38Å; C222-L226 PolarHBondContact O-N 3.02Å; C222-R325 VanDerWaalsContact CB-CA 3.49Å; C222-R325 HydrophobicContact CB-CB 3.7Å; C222-R325 HydrophobicContact CB-CG 4.26Å; C222-L328 HydrophobicContact CB-CD1 3.99Å
223H97.9Very high97.7Very high82 Ų8231.7 Ų31.738%0.3819%0.185SC..Hα-helixtrans-53.7-39.8-175.962.3-69.4000113.9G221 K227 A246 P411G221-H223 VanDerWaalsContact C-N 3.29Å; G221-H223 PolarHBondContact O-N 3.35Å; G221-H223 PolarHBondContact O-ND1 3.46Å; G221-H223 VanDerWaalsContact O-ND1 3.14Å; H223-K227 WeakPolarHBondContact O-CB 3.27Å; H223-K227 PolarHBondContact O-N 3.33Å; H223-A246 WeakPolarHBondContact CA-O 3.4Å; H223-A246 WeakPolarHBondContact CB-O 3.39Å; H223-P411 HydrophobicContact CB-CG 4.34Å
224Q98.3Very high97.6Very high90 Ų9034.6 Ų34.642%0.42120%0.201SC..Hα-helixtrans-69.1-49.6179.3-176.76030.200111.7C222 L226 K227 E228C222-Q224 VanDerWaalsContact C-N 3.29Å; C222-Q224 PolarHBondContact O-N 3.17Å; Q224-L226 VanDerWaalsContact C-N 3.32Å; Q224-L226 PolarHBondContact O-N 3.09Å; Q224-K227 WeakPolarHBondContact O-CB 3.37Å; Q224-K227 PolarHBondContact O-N 2.53Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.39Å; Q224-E228 PolarHBondContact NE2-OE1 3.2Å; Q224-E228 WeakPolarHBondContact O-CG 3.49Å; Q224-E228 PolarHBondContact O-N 3.15Å
225Q98.4Very high97.6Very high23 Ų2334.6 Ų34.611%0.10720%0.2CC..Hα-helixtrans-66.8-35.9179.8-61.786.5-11.200111.9C222 T229 L328 E329 L332C222-Q225 PolarHBondContact O-N 2.91Å; C222-Q225 PolarHBondContact O-OE1 3.31Å; Q225-T229 WeakPolarHBondContact O-CB 3.45Å; Q225-T229 PolarHBondContact O-N 3.43Å; Q225-T229 PolarHBondContact O-OG1 3Å; Q225-L328 HydrophobicContact CB-CB 3.81Å; Q225-E329 HydrophobicContact CG-CG 3.68Å; Q225-E329 PolarHBondContact NE2-OE1 2.82Å; Q225-L332 HydrophobicContact CB-CD1 3.91Å; Q225-L332 HydrophobicContact CG-CD1 4.24Å
226L98.5Very high97.7Very high0 Ų033.6 Ų33.60%019%0.19CC..Hα-helixtrans-60.2-48.4172.117764.7000110.3V211 V213 C222 Q224 T229 V230 A246 F247 L328V211-L226 HydrophobicContact CG1-CD1 3.96Å; V213-L226 HydrophobicContact CB-CD2 4.5Å; V213-L226 HydrophobicContact CG1-CD2 3.81Å; V213-L226 HydrophobicContact CG2-CD1 4.18Å; V213-L226 HydrophobicContact CG2-CD2 3.82Å; C222-L226 WeakPolarHBondContact O-CB 3.38Å; C222-L226 PolarHBondContact O-N 3.02Å; Q224-L226 VanDerWaalsContact C-N 3.32Å; Q224-L226 PolarHBondContact O-N 3.09Å; L226-T229 PolarHBondContact O-N 3.08Å; L226-V230 HydrophobicContact CD1-CG2 4.18Å; L226-V230 WeakPolarHBondContact O-CB 3.21Å; L226-V230 WeakPolarHBondContact O-CG2 3.31Å; L226-V230 PolarHBondContact O-N 3.03Å; L226-A246 HydrophobicContact CD2-CB 4.37Å; L226-F247 HydrophobicContact CD2-CB 4.25Å; L226-L328 HydrophobicContact CB-CD1 4.06Å; L226-L328 HydrophobicContact CD1-CD1 4.46Å
227K98.5Very high97.7Very high67 Ų6732.3 Ų32.329%0.29118%0.176SC..Hα-helixtrans-60.3-49.1178.1-179.1179174.9-176.90111.9H223 Q224 T229 V230 E231 F247H223-K227 WeakPolarHBondContact O-CB 3.27Å; H223-K227 PolarHBondContact O-N 3.33Å; Q224-K227 WeakPolarHBondContact O-CB 3.37Å; Q224-K227 PolarHBondContact O-N 2.53Å; K227-T229 VanDerWaalsContact C-N 3.31Å; K227-T229 PolarHBondContact O-N 3.08Å; K227-V230 PolarHBondContact O-N 3.14Å; K227-E231 VanDerWaalsContact CE-CD 3.49Å; K227-E231 WeakPolarHBondContact CE-OE1 3.37Å; K227-E231 HydrophobicContact CG-CG 4.29Å; K227-E231 IonicContact NZ-OE1 3.06Å; K227-E231 WeakPolarHBondContact O-CB 3.49Å; K227-E231 WeakPolarHBondContact O-CG 3.36Å; K227-E231 PolarHBondContact O-N 3.45Å; K227-F247 HydrophobicContact CB-CD2 4.35Å; K227-F247 HydrophobicContact CB-CE2 4.21Å; K227-F247 HydrophobicContact CG-CE2 4.09Å
228E97.7Very high97.7Very high81 Ų8132.3 Ų32.338%0.37918%0.176SC..Hα-helixtrans-58.8-42.9178.2-73.1171.5-159.700111.9Q224 A232 L332Q224-E228 WeakPolarHBondContact CG-OE1 3.39Å; Q224-E228 PolarHBondContact NE2-OE1 3.2Å; Q224-E228 WeakPolarHBondContact O-CG 3.49Å; Q224-E228 PolarHBondContact O-N 3.15Å; E228-A232 WeakPolarHBondContact O-CB 3.36Å; E228-A232 PolarHBondContact O-N 3.06Å; E228-L332 HydrophobicContact CB-CD1 4.03Å; E228-L332 HydrophobicContact CB-CD2 4.01Å
229T97.1Very high97.7Very high3 Ų331.9 Ų31.92%0.01818%0.175CC..Hα-helixtrans-63.9-45.1177.8-56.80000111.1Q225 L226 K227 L233 L328 L332Q225-T229 WeakPolarHBondContact O-CB 3.45Å; Q225-T229 PolarHBondContact O-N 3.43Å; Q225-T229 PolarHBondContact O-OG1 3Å; L226-T229 PolarHBondContact O-N 3.08Å; K227-T229 VanDerWaalsContact C-N 3.31Å; K227-T229 PolarHBondContact O-N 3.08Å; T229-L233 HydrophobicContact CG2-CD1 4.31Å; T229-L233 WeakPolarHBondContact O-CB 3.36Å; T229-L233 PolarHBondContact O-N 3.28Å; T229-L328 HydrophobicContact CG2-CD2 4.5Å; T229-L332 WeakPolarHBondContact OG1-CD2 3.19Å
230V97.9Very high97.8Very high1 Ų129.7 Ų29.71%0.00616%0.162CC..Hα-helixtrans-64.8-44.7-179.3163.50000111.7V211 L226 K227 N234 L235 V237 F247 Q253V211-V230 HydrophobicContact CG2-CG2 4.02Å; L226-V230 HydrophobicContact CD1-CG2 4.18Å; L226-V230 WeakPolarHBondContact O-CB 3.21Å; L226-V230 WeakPolarHBondContact O-CG2 3.31Å; L226-V230 PolarHBondContact O-N 3.03Å; K227-V230 PolarHBondContact O-N 3.14Å; V230-N234 WeakPolarHBondContact O-CA 3.38Å; V230-N234 PolarHBondContact O-N 2.93Å; V230-L235 WeakPolarHBondContact CG1-O 3.36Å; V230-L235 PolarHBondContact O-N 2.83Å; V230-V237 HydrophobicContact CB-CG2 4.18Å; V230-V237 HydrophobicContact CG1-CG2 3.5Å; V230-V237 HydrophobicContact CG2-CG2 3.54Å; V230-F247 HydrophobicContact CB-CE2 3.97Å; V230-F247 HydrophobicContact CB-CZ 4.46Å; V230-F247 HydrophobicContact CG1-CE2 3.62Å; V230-F247 HydrophobicContact CG1-CZ 3.62Å; V230-F247 HydrophobicContact CG2-CE2 4.41Å; V230-Q253 HydrophobicContact CG1-CB 4.17Å; V230-Q253 VanDerWaalsContact CG1-NE2 3.25Å; V230-Q253 PolarHBondContact O-NE2 2.97Å
231E97.1Very high97.8Very high85 Ų8530.5 Ų30.540%0.39716%0.164SC..Hα-helixtrans-68.8-44.2179.7-73.2177.8161.300111.1K227 L233 N234 H251K227-E231 VanDerWaalsContact CE-CD 3.49Å; K227-E231 WeakPolarHBondContact CE-OE1 3.37Å; K227-E231 HydrophobicContact CG-CG 4.29Å; K227-E231 IonicContact NZ-OE1 3.06Å; K227-E231 WeakPolarHBondContact O-CB 3.49Å; K227-E231 WeakPolarHBondContact O-CG 3.36Å; K227-E231 PolarHBondContact O-N 3.45Å; E231-L233 PolarHBondContact O-N 3.49Å; E231-N234 PolarHBondContact O-N 2.91Å; E231-H251 IonicContact OE1-NE2 3.67Å; E231-H251 PolarHBondContact OE1-NE2 3.24Å
232A95.2Very high97.9Very high61 Ų6131.7 Ų31.750%0.50416%0.164SC..Hα-helixtrans-61.7-33.1-179.800000113.1E228 L335E228-A232 WeakPolarHBondContact O-CB 3.36Å; E228-A232 PolarHBondContact O-N 3.06Å; A232-L335 HydrophobicContact CB-CD2 3.86Å
233L95.6Very high97.9Very high5 Ų531.7 Ų31.73%0.02616%0.164CC..THydrogen-bonded Turntrans-105.55.7-178.5-64.6177.8000113.3L200 L203 V204 T229 E231 L235 L335 Q342L200-L233 HydrophobicContact CD1-CD1 4.47Å; L203-L233 HydrophobicContact CD2-CD1 3.92Å; L203-L233 HydrophobicContact CG-CD1 4.23Å; V204-L233 HydrophobicContact CG2-CD2 3.93Å; T229-L233 HydrophobicContact CG2-CD1 4.31Å; T229-L233 WeakPolarHBondContact O-CB 3.36Å; T229-L233 PolarHBondContact O-N 3.28Å; E231-L233 PolarHBondContact O-N 3.49Å; L233-L235 VanDerWaalsContact C-N 3.27Å; L233-L235 HydrophobicContact CB-CD1 3.82Å; L233-L235 HydrophobicContact CB-CD2 3.87Å; L233-L235 HydrophobicContact CB-CG 3.57Å; L233-L235 HydrophobicContact CD1-CD1 4.1Å; L233-L235 WeakPolarHBondContact O-CD2 3.49Å; L233-L235 PolarHBondContact O-N 3.08Å; L233-L335 HydrophobicContact CD1-CD2 4.38Å; L233-L335 HydrophobicContact CD2-CD1 3.83Å; L233-L335 HydrophobicContact CD2-CD2 4.07Å; L233-L335 HydrophobicContact CG-CD2 4.01Å; L233-Q342 HydrophobicContact CD2-CG 4.32Å; L233-Q342 PolarHBondContact O-NE2 3.16Å; L233-Q342 PolarHBondContact O-OE1 3.43Å
234N96.7Very high97.9Very high62 Ų6228.5 Ų28.533%0.33215%0.149SC..THydrogen-bonded Turntrans46.945.5-178.6-171.138.1000114V230 E231 W351V230-N234 WeakPolarHBondContact O-CA 3.38Å; V230-N234 PolarHBondContact O-N 2.93Å; E231-N234 PolarHBondContact O-N 2.91Å; N234-W351 PolarHBondContact ND2-NE1 3.42Å; N234-W351 VanDerWaalsContact ND2-NE1 3.18Å; N234-W351 PolarHBondContact O-NE1 3.31Å
235L98.3Very high97.9Very high0 Ų024.4 Ų24.40%013%0.131CC..  trans-88.9141.2-174.6-53.4175.8000112.6L203 P209 V211 V230 L233 Q253L203-L235 HydrophobicContact CD1-CD1 4.17Å; L203-L235 HydrophobicContact CD1-CD2 4.42Å; L203-L235 HydrophobicContact CD2-CD1 3.89Å; L203-L235 HydrophobicContact CG-CD1 4.18Å; P209-L235 HydrophobicContact CB-CD2 3.81Å; P209-L235 HydrophobicContact CG-CD2 3.48Å; P209-L235 VanDerWaalsContact CG-CD2 3.48Å; V211-L235 HydrophobicContact CG2-CB 3.79Å; V211-L235 HydrophobicContact CG2-CD1 3.6Å; V211-L235 HydrophobicContact CG2-CG 4.34Å; V230-L235 WeakPolarHBondContact CG1-O 3.36Å; V230-L235 PolarHBondContact O-N 2.83Å; L233-L235 VanDerWaalsContact C-N 3.27Å; L233-L235 HydrophobicContact CB-CD1 3.82Å; L233-L235 HydrophobicContact CB-CD2 3.87Å; L233-L235 HydrophobicContact CB-CG 3.57Å; L233-L235 HydrophobicContact CD1-CD1 4.1Å; L233-L235 WeakPolarHBondContact O-CD2 3.49Å; L233-L235 PolarHBondContact O-N 3.08Å; L235-Q253 WeakPolarHBondContact O-CB 3.39Å; L235-Q253 PolarHBondContact O-NE2 2.91Å
236P98.8Very high97.9Very high1 Ų123.4 Ų23.41%0.00613%0.127CC..  trans-72.7145.9167.228.6-31.3000111.2P209 V210 V211 L255 T269 W351 I354P209-P236 WeakPolarHBondContact O-CD 3.34Å; P209-P236 WeakPolarHBondContact O-CG 3.3Å; V210-P236 HydrophobicContact CB-CG 4.27Å; V210-P236 HydrophobicContact CG2-CG 4.3Å; V211-P236 PolarHBondContact N-O 3.27Å; P236-L255 HydrophobicContact CB-CD1 3.82Å; P236-L255 HydrophobicContact CB-CG 4.21Å; P236-T269 HydrophobicContact CB-CG2 4.34Å; P236-T269 HydrophobicContact CG-CG2 4.13Å; P236-W351 HydrophobicContact CB-CH2 3.61Å; P236-W351 HydrophobicContact CB-CZ2 3.9Å; P236-W351 HydrophobicContact CB-CZ3 4.29Å; P236-W351 HydrophobicContact CG-CZ2 4.42Å; P236-I354 HydrophobicContact CB-CD1 3.8Å; P236-I354 HydrophobicContact CG-CD1 3.75Å
237V98.9Very high97.9Very high1 Ų123.5 Ų23.51%0.00613%0.127CC..EExtended strand (participates in β ladder)trans-120.9128-177.5-174.70000110.6V211 V213 V230 F247 Q253 L255V211-V237 HydrophobicContact CB-CG2 4.33Å; V213-V237 HydrophobicContact CG2-CG1 3.67Å; V230-V237 HydrophobicContact CB-CG2 4.18Å; V230-V237 HydrophobicContact CG1-CG2 3.5Å; V230-V237 HydrophobicContact CG2-CG2 3.54Å; V237-F247 HydrophobicContact CB-CD1 3.89Å; V237-F247 HydrophobicContact CB-CE1 4.19Å; V237-F247 HydrophobicContact CB-CG 4.29Å; V237-F247 HydrophobicContact CG1-CB 3.93Å; V237-F247 HydrophobicContact CG1-CD1 4Å; V237-F247 HydrophobicContact CG1-CG 4.02Å; V237-F247 HydrophobicContact CG2-CD1 3.93Å; V237-F247 HydrophobicContact CG2-CD2 4.34Å; V237-F247 HydrophobicContact CG2-CE1 3.93Å; V237-F247 HydrophobicContact CG2-CE2 4.36Å; V237-F247 HydrophobicContact CG2-CG 4.13Å; V237-F247 HydrophobicContact CG2-CZ 4.15Å; V237-Q253 PolarHBondContact N-O 3.33Å; V237-L255 PolarHBondContact O-N 2.93Å
238V98.8Very high97.9Very high0 Ų021.7 Ų21.70%012%0.122CC..EExtended strand (participates in β ladder)trans-117.3145.9169.3-59.70000109.9V210 V211 Y212 V213 L255 L258 A266 M270V210-V238 HydrophobicContact CG2-CG1 4.05Å; V210-V238 HydrophobicContact CG2-CG2 4.02Å; V211-V238 WeakPolarHBondContact O-CG2 3.31Å; V211-V238 PolarHBondContact O-N 3Å; Y212-V238 HydrophobicContact CD2-CG2 4.09Å; Y212-V238 HydrophobicContact CG-CG2 4.38Å; V213-V238 PolarHBondContact N-O 3.2Å; V238-L255 HydrophobicContact CG1-CB 3.97Å; V238-L255 HydrophobicContact CG1-CD1 4Å; V238-L255 HydrophobicContact CG1-CG 4.4Å; V238-L258 HydrophobicContact CB-CB 4.42Å; V238-L258 HydrophobicContact CB-CD2 3.79Å; V238-L258 HydrophobicContact CG2-CD2 3.61Å; V238-A266 HydrophobicContact CB-CB 4.27Å; V238-A266 HydrophobicContact CG1-CB 3.64Å; V238-M270 HydrophobicContact CG1-CG 4.31Å; V238-M270 HydrophobicContact CG2-CG 3.76Å; V238-M270 HydrophobicContact CG2-SD 3.62Å
239C98.6Very high97.9Very high10 Ų1019.8 Ų19.87%0.06812%0.12CC..EExtended strand (participates in β ladder)trans-117.1141.2-178.2-66.50000111.6L244 G256 M257 L258C239-L244 HydrophobicContact CB-CD2 3.88Å; C239-G256 PolarHBondContact N-O 2.74Å; C239-M257 CarbonylContact O-C 3.3Å; C239-M257 VanDerWaalsContact O-CA 3.25Å; C239-M257 WeakPolarHBondContact O-CA 3.33Å; C239-L258 VanDerWaalsContact C-CD2 3.41Å; C239-L258 WeakPolarHBondContact O-CD2 3.23Å; C239-L258 PolarHBondContact O-N 3.31Å
240S98.5Very high97.9Very high12 Ų1223.5 Ų23.58%0.08414%0.143CC..  trans-67.7166.1158.369.80000110.2V213 G214 M242 G243 L244V213-S240 PolarHBondContact O-N 2.93Å; V213-S240 PolarHBondContact O-OG 3.43Å; G214-S240 WeakPolarHBondContact CA-OG 3.15Å; S240-M242 PolarHBondContact O-N 2.78Å; S240-M242 PolarHBondContact OG-N 3.21Å; S240-G243 PolarHBondContact O-N 3.03Å; S240-G243 PolarHBondContact OG-N 2.86Å; S240-G243 VanDerWaalsContact OG-N 3.1Å; S240-L244 PolarHBondContact O-N 3.2Å
241L98.4Very high98Very high33 Ų3325.7 Ų25.717%0.17315%0.153CC..G310 helixtrans-51.3-38.7170.1-178.664.2000112.5G243 L244 M257 M400 A403 W414 N416L241-G243 VanDerWaalsContact C-N 3.33Å; L241-L244 HydrophobicContact CD1-CD1 4.28Å; L241-M257 HydrophobicContact CB-SD 3.91Å; L241-M257 HydrophobicContact CD1-SD 3.69Å; L241-M257 HydrophobicContact CG-SD 4.42Å; L241-M400 HydrophobicContact CD1-CE 4.03Å; L241-M400 HydrophobicContact CD2-CE 3.96Å; L241-A403 HydrophobicContact CD1-CB 3.61Å; L241-W414 HydrophobicContact CD1-CZ2 4.06Å; L241-W414 PolarHBondContact O-NE1 2.87Å; L241-N416 VanDerWaalsContact CD2-OD1 3.27Å; L241-N416 WeakPolarHBondContact CD2-OD1 3.48Å
242M98.3Very high98Very high49 Ų4929.5 Ų29.524%0.24116%0.164CC..G310 helixtrans-80.9-13.5-179.3-57.5-56.9-6800113.5D92 G215 S240D92-M242 HydrophobicContact CB-CE 3.86Å; G215-M242 WeakPolarHBondContact CA-O 3Å; S240-M242 PolarHBondContact O-N 2.78Å; S240-M242 PolarHBondContact OG-N 3.21Å
243G98.3Very high98.1Very high0 Ų027.3 Ų27.30%014%0.143CC..G310 helixtrans-97.1-0.2-179.700000113.9S240 L241 G245 A246S240-G243 PolarHBondContact O-N 3.03Å; S240-G243 PolarHBondContact OG-N 2.86Å; S240-G243 VanDerWaalsContact OG-N 3.1Å; L241-G243 VanDerWaalsContact C-N 3.33Å; G243-G245 PolarHBondContact O-N 3.17Å; G243-A246 WeakPolarHBondContact O-CB 3.38Å; G243-A246 PolarHBondContact O-N 3.21Å
244L98.6Very high98.3Very high15 Ų1527.7 Ų27.78%0.07915%0.147CC..THydrogen-bonded Turntrans-59.1130.2179.1-63.8-179.5000110.8C239 S240 L241 M257 A403 F408 W414C239-L244 HydrophobicContact CB-CD2 3.88Å; S240-L244 PolarHBondContact O-N 3.2Å; L241-L244 HydrophobicContact CD1-CD1 4.28Å; L244-M257 HydrophobicContact CD1-SD 4.46Å; L244-M257 HydrophobicContact CD2-CB 4.23Å; L244-A403 HydrophobicContact CD1-CB 3.79Å; L244-F408 HydrophobicContact CB-CD2 4.06Å; L244-F408 HydrophobicContact CD1-CD2 4.3Å; L244-F408 HydrophobicContact CD1-CE2 4.38Å; L244-W414 HydrophobicContact CB-CB 4.22Å; L244-W414 HydrophobicContact CB-CG 4.3Å; L244-W414 HydrophobicContact CD1-CG 4.31Å
245G98.1Very high98.4Very high3 Ų325 Ų253%0.03113%0.133CC..THydrogen-bonded Turntrans87-8.1-174.100000115.4G243 F247 K410 P411G243-G245 PolarHBondContact O-N 3.17Å; G245-F247 PolarHBondContact O-N 2.9Å; G245-K410 WeakPolarHBondContact CA-O 3.42Å; G245-K410 CarbonylContact O-C 3.59Å; G245-P411 VanDerWaalsContact O-CA 3.27Å; G245-P411 WeakPolarHBondContact O-CA 3.22Å
246A98.3Very high98.3Very high2 Ų226.1 Ų26.12%0.01715%0.145CC..SBendtrans-67.6-30.5174.600000112.1V213 A217 I218 H223 L226 G243V213-A246 HydrophobicContact CG1-CB 3.52Å; A217-A246 HydrophobicContact CB-CB 4.09Å; I218-A246 HydrophobicContact CD1-CB 3.59Å; I218-A246 HydrophobicContact CG1-CB 4.11Å; H223-A246 WeakPolarHBondContact CA-O 3.4Å; H223-A246 WeakPolarHBondContact CB-O 3.39Å; L226-A246 HydrophobicContact CD2-CB 4.37Å; G243-A246 WeakPolarHBondContact O-CB 3.38Å; G243-A246 PolarHBondContact O-N 3.21Å
247F98.7Very high98.3Very high3 Ų326.6 Ų26.61%0.01315%0.147CC..SBendtrans-128.3142.1168.5-174.2-101.4000108.1L226 K227 V230 V237 G245 A249 H251 Q253 A254L226-F247 HydrophobicContact CD2-CB 4.25Å; K227-F247 HydrophobicContact CB-CD2 4.35Å; K227-F247 HydrophobicContact CB-CE2 4.21Å; K227-F247 HydrophobicContact CG-CE2 4.09Å; V230-F247 HydrophobicContact CB-CE2 3.97Å; V230-F247 HydrophobicContact CB-CZ 4.46Å; V230-F247 HydrophobicContact CG1-CE2 3.62Å; V230-F247 HydrophobicContact CG1-CZ 3.62Å; V230-F247 HydrophobicContact CG2-CE2 4.41Å; V237-F247 HydrophobicContact CB-CD1 3.89Å; V237-F247 HydrophobicContact CB-CE1 4.19Å; V237-F247 HydrophobicContact CB-CG 4.29Å; V237-F247 HydrophobicContact CG1-CB 3.93Å; V237-F247 HydrophobicContact CG1-CD1 4Å; V237-F247 HydrophobicContact CG1-CG 4.02Å; V237-F247 HydrophobicContact CG2-CD1 3.93Å; V237-F247 HydrophobicContact CG2-CD2 4.34Å; V237-F247 HydrophobicContact CG2-CE1 3.93Å; V237-F247 HydrophobicContact CG2-CE2 4.36Å; V237-F247 HydrophobicContact CG2-CG 4.13Å; V237-F247 HydrophobicContact CG2-CZ 4.15Å; G245-F247 PolarHBondContact O-N 2.9Å; F247-A249 PolarHBondContact O-N 2.84Å; F247-H251 HydrophobicContact CD1-CB 4.39Å; F247-H251 HydrophobicContact CE1-CB 3.59Å; F247-H251 AromaticContact CE1-CG 3.76Å; F247-H251 AromaticContact CE1-ND1 3.63Å; F247-H251 HydrophobicContact CZ-CB 3.95Å; F247-H251 AromaticContact CZ-CG 3.62Å; F247-H251 AromaticContact CZ-ND1 3.33Å; F247-H251 VanDerWaalsContact CZ-ND1 3.33Å; F247-H251 WeakPolarHBondContact CZ-ND1 3.48Å; F247-Q253 HydrophobicContact CE1-CB 4.15Å; F247-Q253 HydrophobicContact CZ-CB 4.11Å; F247-A254 HydrophobicContact CD1-CB 3.97Å; F247-A254 HydrophobicContact CE1-CB 4.04Å
248P98.4Very high98.3Very high28 Ų2826.9 Ų26.918%0.18215%0.148CC..  trans-64.9122.3-172-18.730.5000111.9T250 H251 A254 D409P248-T250 PolarHBondContact O-N 2.94Å; P248-H251 HydrophobicContact CB-CB 4.23Å; P248-H251 WeakPolarHBondContact O-CB 3.44Å; P248-H251 PolarHBondContact O-N 2.96Å; P248-A254 WeakPolarHBondContact O-CB 3.26Å; P248-D409 HydrophobicContact CB-CB 4.18Å; P248-D409 WeakPolarHBondContact CB-OD1 3.19Å
249A98.1Very high98.2Very high41 Ų4126.9 Ų26.934%0.33915%0.148SC..THydrogen-bonded Turntrans-64.4-26.3-176.400000113.4F247 H251 P407 F408 D409F247-A249 PolarHBondContact O-N 2.84Å; A249-H251 VanDerWaalsContact C-N 3.28Å; A249-P407 HydrophobicContact CB-CB 3.87Å; A249-F408 WeakPolarHBondContact CB-O 3.48Å; A249-F408 PolarHBondContact N-O 2.8Å; A249-F408 VanDerWaalsContact N-O 3.11Å; A249-D409 PolarHBondContact N-OD1 3.13Å
250T97.4Very high98.1Very high82 Ų8227.7 Ų27.750%0.50315%0.151SC..THydrogen-bonded Turntrans-81.2-7.8175.462.90000113.4P248 W382 P407 D409P248-T250 PolarHBondContact O-N 2.94Å; T250-W382 HydrophobicContact CG2-CZ2 4.18Å; T250-P407 HydrophobicContact CG2-CB 3.94Å; T250-D409 WeakPolarHBondContact CG2-OD2 3.44Å; T250-D409 PolarHBondContact N-OD1 3.22Å; T250-D409 PolarHBondContact OG1-OD1 2.95Å; T250-D409 PolarHBondContact OG1-OD2 2.75Å
251H98.3Very high98.1Very high47 Ų4727.6 Ų27.622%0.21815%0.15CC..SBendtrans-68140.9178.9-164.6-90.9000111.1E231 F247 P248 A249 Q253 A254E231-H251 IonicContact OE1-NE2 3.67Å; E231-H251 PolarHBondContact OE1-NE2 3.24Å; F247-H251 HydrophobicContact CD1-CB 4.39Å; F247-H251 HydrophobicContact CE1-CB 3.59Å; F247-H251 AromaticContact CE1-CG 3.76Å; F247-H251 AromaticContact CE1-ND1 3.63Å; F247-H251 HydrophobicContact CZ-CB 3.95Å; F247-H251 AromaticContact CZ-CG 3.62Å; F247-H251 AromaticContact CZ-ND1 3.33Å; F247-H251 VanDerWaalsContact CZ-ND1 3.33Å; F247-H251 WeakPolarHBondContact CZ-ND1 3.48Å; P248-H251 HydrophobicContact CB-CB 4.23Å; P248-H251 WeakPolarHBondContact O-CB 3.44Å; P248-H251 PolarHBondContact O-N 2.96Å; A249-H251 VanDerWaalsContact C-N 3.28Å; H251-Q253 PolarHBondContact CE1-OE1 3.21Å; H251-Q253 VanDerWaalsContact CE1-OE1 3.23Å; H251-Q253 PolarHBondContact ND1-N 2.94Å; H251-Q253 VanDerWaalsContact ND1-N 3.16Å; H251-Q253 PolarHBondContact O-N 3.08Å; H251-A254 VanDerWaalsContact O-CB 3.3Å; H251-A254 WeakPolarHBondContact O-CB 3.29Å; H251-A254 PolarHBondContact O-N 3.41Å
252R97.4Very high98.1Very high165 Ų16526 Ų2662%0.62314%0.142SC*.THydrogen-bonded Turntrans-54.7-34.1-179.2179.5180175.6-148.5-3.2113.1A254 E355 R358R252-A254 VanDerWaalsContact C-N 3.29Å; R252-A254 PolarHBondContact O-N 3.09Å; R252-E355 IonicContact NE-OE1 3.41Å; R252-E355 IonicContact NH2-OE1 3.65Å; R252-R358 PolarHBondContact O-NH1 3.02Å; R252-R358 PolarHBondContact O-NH2 2.9Å
253Q98.5Very high98.1Very high14 Ų1424 Ų247%0.06513%0.132CC..THydrogen-bonded Turntrans-78.6-10.6-179.2-65.9174.4-10000113.8V230 L235 V237 F247 H251 W351V230-Q253 HydrophobicContact CG1-CB 4.17Å; V230-Q253 VanDerWaalsContact CG1-NE2 3.25Å; V230-Q253 PolarHBondContact O-NE2 2.97Å; L235-Q253 WeakPolarHBondContact O-CB 3.39Å; L235-Q253 PolarHBondContact O-NE2 2.91Å; V237-Q253 PolarHBondContact N-O 3.33Å; F247-Q253 HydrophobicContact CE1-CB 4.15Å; F247-Q253 HydrophobicContact CZ-CB 4.11Å; H251-Q253 PolarHBondContact CE1-OE1 3.21Å; H251-Q253 VanDerWaalsContact CE1-OE1 3.23Å; H251-Q253 PolarHBondContact ND1-N 2.94Å; H251-Q253 VanDerWaalsContact ND1-N 3.16Å; H251-Q253 PolarHBondContact O-N 3.08Å; Q253-W351 HydrophobicContact CB-CH2 4.04Å; Q253-W351 HydrophobicContact CB-CZ2 4.31Å; Q253-W351 HydrophobicContact CG-CH2 3.97Å; Q253-W351 HydrophobicContact CG-CZ2 3.86Å
254A98.6Very high98Very high14 Ų1425 Ų2512%0.11614%0.136CC..EExtended strand (participates in β ladder)trans-77.8133175.700000110.6F247 P248 H251 R252 R358F247-A254 HydrophobicContact CD1-CB 3.97Å; F247-A254 HydrophobicContact CE1-CB 4.04Å; P248-A254 WeakPolarHBondContact O-CB 3.26Å; H251-A254 VanDerWaalsContact O-CB 3.3Å; H251-A254 WeakPolarHBondContact O-CB 3.29Å; H251-A254 PolarHBondContact O-N 3.41Å; R252-A254 VanDerWaalsContact C-N 3.29Å; R252-A254 PolarHBondContact O-N 3.09Å; A254-R358 PolarHBondContact O-NH2 3.28Å
255L98.5Very high98Very high4 Ų425.3 Ų25.32%0.02114%0.137CC..EExtended strand (participates in β ladder)trans-107-2.2175.4-53.8-172.8000112.4P236 V237 V238 T263 E265 A266 T269 W351 I354 R358P236-L255 HydrophobicContact CB-CD1 3.82Å; P236-L255 HydrophobicContact CB-CG 4.21Å; V237-L255 PolarHBondContact O-N 2.93Å; V238-L255 HydrophobicContact CG1-CB 3.97Å; V238-L255 HydrophobicContact CG1-CD1 4Å; V238-L255 HydrophobicContact CG1-CG 4.4Å; L255-T263 PolarHBondContact O-OG1 3.28Å; L255-E265 HydrophobicContact CB-CG 4.29Å; L255-A266 HydrophobicContact CB-CB 4.12Å; L255-T269 HydrophobicContact CD1-CG2 3.58Å; L255-T269 WeakPolarHBondContact CD1-OG1 3.41Å; L255-W351 HydrophobicContact CD2-CZ3 4.45Å; L255-I354 HydrophobicContact CD1-CG2 4.13Å; L255-I354 HydrophobicContact CD2-CG2 3.55Å; L255-R358 VanDerWaalsContact CD2-NH2 3.26Å
256G97.4Very high98Very high25 Ų2525.2 Ų25.226%0.25814%0.135SC..EExtended strand (participates in β ladder)trans88.5-159.8-179.900000113.7C239C239-G256 PolarHBondContact N-O 2.74Å
257M98.3Very high98Very high11 Ų1125.1 Ų25.15%0.05414%0.135CC..EExtended strand (participates in β ladder)trans-74.9139-179.7-168.4173.265.300110.7C239 L241 L244 G262 T263 M400 A403 L404C239-M257 CarbonylContact O-C 3.3Å; C239-M257 VanDerWaalsContact O-CA 3.25Å; C239-M257 WeakPolarHBondContact O-CA 3.33Å; L241-M257 HydrophobicContact CB-SD 3.91Å; L241-M257 HydrophobicContact CD1-SD 3.69Å; L241-M257 HydrophobicContact CG-SD 4.42Å; L244-M257 HydrophobicContact CD1-SD 4.46Å; L244-M257 HydrophobicContact CD2-CB 4.23Å; M257-G262 CarbonylContact O-C 3.4Å; M257-G262 VanDerWaalsContact O-C 3.32Å; M257-G262 WeakPolarHBondContact O-CA 3.27Å; M257-T263 PolarHBondContact O-N 3.02Å; M257-M400 HydrophobicContact CE-SD 4.29Å; M257-A403 HydrophobicContact CE-CB 4.25Å; M257-A403 HydrophobicContact SD-CB 4.11Å; M257-L404 HydrophobicContact CE-CD2 3.97Å; M257-L404 HydrophobicContact CE-CG 4.16Å
258L98Very high98Very high6 Ų626 Ų263%0.03114%0.139CC..  trans-100176.6168.672.7137.2000112.4Y212 V238 C239 A266 M270 T287 M563Y212-L258 HydrophobicContact CD2-CD1 4.45Å; Y212-L258 HydrophobicContact CD2-CD2 3.41Å; Y212-L258 VanDerWaalsContact CD2-CD2 3.41Å; Y212-L258 HydrophobicContact CE2-CD1 4.15Å; Y212-L258 HydrophobicContact CE2-CD2 3.31Å; Y212-L258 HydrophobicContact CE2-CG 4.22Å; Y212-L258 HydrophobicContact CG-CD2 4.43Å; V238-L258 HydrophobicContact CB-CB 4.42Å; V238-L258 HydrophobicContact CB-CD2 3.79Å; V238-L258 HydrophobicContact CG2-CD2 3.61Å; C239-L258 VanDerWaalsContact C-CD2 3.41Å; C239-L258 WeakPolarHBondContact O-CD2 3.23Å; C239-L258 PolarHBondContact O-N 3.31Å; L258-A266 HydrophobicContact CB-CB 4.11Å; L258-M270 HydrophobicContact CD1-CE 4.37Å; L258-M270 HydrophobicContact CD1-CG 4.27Å; L258-T287 HydrophobicContact CD1-CG2 4.31Å; L258-T287 HydrophobicContact CG-CG2 4.45Å; L258-M563 HydrophobicContact CB-CE 4.35Å; L258-M563 HydrophobicContact CD1-CE 3.61Å
259G97.4Very high98Very high0 Ų024.7 Ų24.70%013%0.13CC..SBendtrans99-157.317100000112.5H261 G262 N267 R286 Q557G259-H261 VanDerWaalsContact C-N 3.29Å; G259-H261 PolarHBondContact O-N 3.47Å; G259-G262 PolarHBondContact O-N 3.04Å; G259-N267 PolarHBondContact N-OD1 3.37Å; G259-N267 PolarHBondContact O-ND2 2.92Å; G259-N267 PolarHBondContact O-OD1 3.16Å; G259-R286 CarbonylContact C-O 3.49Å; G259-R286 WeakPolarHBondContact CA-O 3.4Å; G259-Q557 VanDerWaalsContact C-CD 3.45Å
260M97.1Very high98Very high27 Ų2722.7 Ų22.713%0.13311%0.114CC..THydrogen-bonded Turntrans-48.3-49.9-171.2179.9172.3-70.800111.8R286 W484 M556 Q557M260-R286 WeakPolarHBondContact CB-O 3.42Å; M260-R286 PolarHBondContact N-O 2.97Å; M260-W484 HydrophobicContact CE-CZ2 4.36Å; M260-W484 HydrophobicContact SD-CZ2 3.94Å; M260-M556 CarbonylContact O-C 3.59Å; M260-M556 WeakPolarHBondContact O-CA 3.42Å; M260-Q557 PolarHBondContact O-N 3.31Å
261H98Very high98Very high11 Ų1120.1 Ų20.15%0.05110%0.096CC..THydrogen-bonded Turntrans-110.922.2176.5-69.7-58.4000113.5G259 M400 L404 V553 P555G259-H261 VanDerWaalsContact C-N 3.29Å; G259-H261 PolarHBondContact O-N 3.47Å; H261-M400 HydrophobicContact CB-CG 4.34Å; H261-M400 HydrophobicContact CB-SD 4.02Å; H261-L404 WeakPolarHBondContact O-CD2 3.2Å; H261-V553 HydrophobicContact CB-CG1 3.9Å; H261-V553 PolarHBondContact CE1-O 3.26Å; H261-V553 PolarHBondContact ND1-O 2.98Å; H261-P555 WeakPolarHBondContact CA-O 3.44Å; H261-P555 PolarHBondContact ND1-O 3.14Å
262G97.8Very high98Very high0 Ų020.2 Ų20.20%010%0.098CC..  trans-72168.617900000113.3M257 G259 N267 P555M257-G262 CarbonylContact O-C 3.4Å; M257-G262 VanDerWaalsContact O-C 3.32Å; M257-G262 WeakPolarHBondContact O-CA 3.27Å; G259-G262 PolarHBondContact O-N 3.04Å; G262-N267 PolarHBondContact O-ND2 2.96Å; G262-P555 WeakPolarHBondContact O-CB 3.48Å; G262-P555 WeakPolarHBondContact O-CG 3.3Å
263T98.3Very high98.1Very high5 Ų512.3 Ų12.33%0.0317%0.069CC..  trans-63.4154.4174.4650000111L255 M257 A266 N267 L363 L404L255-T263 PolarHBondContact O-OG1 3.28Å; M257-T263 PolarHBondContact O-N 3.02Å; T263-A266 PolarHBondContact O-N 3.16Å; T263-A266 WeakPolarHBondContact OG1-CB 3.47Å; T263-A266 PolarHBondContact OG1-N 2.81Å; T263-N267 PolarHBondContact O-N 2.84Å; T263-N267 PolarHBondContact O-ND2 2.87Å; T263-L363 HydrophobicContact CG2-CD1 4.13Å; T263-L363 HydrophobicContact CG2-CG 4.46Å; T263-L404 HydrophobicContact CG2-CD2 4.38Å
264Y98Very high98.1Very high23 Ų2313.7 Ų13.79%0.098%0.076CC..Hα-helixtrans-63.1-48.2179.2173.4-116.5000110.4A266 N267 M268 W357 R360 C362 M566 L568 T574Y264-A266 PolarHBondContact O-N 2.75Å; Y264-N267 PolarHBondContact O-N 2.99Å; Y264-M268 HydrophobicContact CD1-CG 4.41Å; Y264-M268 HydrophobicContact CD2-CG 3.7Å; Y264-M268 HydrophobicContact CD2-SD 4.33Å; Y264-M268 HydrophobicContact CE1-CG 4.08Å; Y264-M268 HydrophobicContact CE2-CG 3.28Å; Y264-M268 HydrophobicContact CE2-SD 3.57Å; Y264-M268 VanDerWaalsContact CE2-SD 3.57Å; Y264-M268 HydrophobicContact CG-CG 4.24Å; Y264-M268 WeakPolarHBondContact O-CB 3.25Å; Y264-M268 VanDerWaalsContact O-CG 3.24Å; Y264-M268 WeakPolarHBondContact O-CG 3.22Å; Y264-M268 PolarHBondContact O-N 3.35Å; Y264-W357 HydrophobicContact CD1-CB 4.08Å; Y264-W357 HydrophobicContact CE1-CB 3.89Å; Y264-W357 AromaticContact CE1-CD1 3.79Å; Y264-W357 HydrophobicContact CE1-CG 4.08Å; Y264-R360 HydrophobicContact CD1-CB 4.28Å; Y264-R360 VanDerWaalsContact CZ-NH1 3.27Å; Y264-R360 PolarHBondContact OH-NH1 3.01Å; Y264-C362 PolarHBondContact N-SG 3.32Å; Y264-M566 HydrophobicContact CD2-SD 4.15Å; Y264-L568 HydrophobicContact CD2-CD1 4.4Å; Y264-L568 HydrophobicContact CD2-CD2 3.94Å; Y264-L568 HydrophobicContact CG-CD2 4.19Å; Y264-T574 HydrophobicContact CD2-CG2 3.98Å; Y264-T574 HydrophobicContact CE2-CG2 3.4Å
265E98.2Very high98.1Very high21 Ų2113.3 Ų13.310%0.0987%0.073CC..Hα-helixtrans-61.7-38.2179.162-87.9-150.100113.1L255 T269 W357 R358L255-E265 HydrophobicContact CB-CG 4.29Å; E265-T269 WeakPolarHBondContact O-CB 3.49Å; E265-T269 PolarHBondContact O-N 3.18Å; E265-T269 PolarHBondContact O-OG1 3.1Å; E265-W357 HydrophobicContact CB-CB 3.95Å; E265-R358 HydrophobicContact CB-CB 4.32Å; E265-R358 HydrophobicContact CG-CB 4.35Å
266A98.4Very high98.1Very high0 Ų013.1 Ų13.10%07%0.072CC..Hα-helixtrans-65.7-45.3177.300000111.4V238 L255 L258 T263 Y264 M270V238-A266 HydrophobicContact CB-CB 4.27Å; V238-A266 HydrophobicContact CG1-CB 3.64Å; L255-A266 HydrophobicContact CB-CB 4.12Å; L258-A266 HydrophobicContact CB-CB 4.11Å; T263-A266 PolarHBondContact O-N 3.16Å; T263-A266 WeakPolarHBondContact OG1-CB 3.47Å; T263-A266 PolarHBondContact OG1-N 2.81Å; Y264-A266 PolarHBondContact O-N 2.75Å; A266-M270 WeakPolarHBondContact O-CG 3.46Å; A266-M270 PolarHBondContact O-N 2.87Å
267N98.3Very high98.2Very high0 Ų012 Ų120%06%0.059CC..Hα-helixtrans-67.7-42.9179.9-79.7-72.3000112.3G259 G262 T263 Y264 M270 H271 Q557 M563 M566G259-N267 PolarHBondContact N-OD1 3.37Å; G259-N267 PolarHBondContact O-ND2 2.92Å; G259-N267 PolarHBondContact O-OD1 3.16Å; G262-N267 PolarHBondContact O-ND2 2.96Å; T263-N267 PolarHBondContact O-N 2.84Å; T263-N267 PolarHBondContact O-ND2 2.87Å; Y264-N267 PolarHBondContact O-N 2.99Å; N267-M270 PolarHBondContact O-N 2.92Å; N267-H271 WeakPolarHBondContact O-CB 3.38Å; N267-H271 PolarHBondContact O-N 3.39Å; N267-Q557 PolarHBondContact OD1-NE2 3.21Å; N267-M563 HydrophobicContact CB-CE 4.49Å; N267-M563 WeakPolarHBondContact CB-O 3.24Å; N267-M563 VanDerWaalsContact OD1-CE 3.27Å; N267-M563 WeakPolarHBondContact OD1-CE 3.17Å; N267-M566 HydrophobicContact CB-CE 4.14Å; N267-M566 HydrophobicContact CB-SD 3.62Å; N267-M566 VanDerWaalsContact ND2-CE 3.25Å; N267-M566 WeakPolarHBondContact ND2-CE 3.35Å
268M98.2Very high98.2Very high22 Ų2211.4 Ų11.411%0.1086%0.057CC..Hα-helixtrans-64.6-40.5176.1-68.3-56-68.300112.3Y264 H271 N272 W357 D564Y264-M268 HydrophobicContact CD1-CG 4.41Å; Y264-M268 HydrophobicContact CD2-CG 3.7Å; Y264-M268 HydrophobicContact CD2-SD 4.33Å; Y264-M268 HydrophobicContact CE1-CG 4.08Å; Y264-M268 HydrophobicContact CE2-CG 3.28Å; Y264-M268 HydrophobicContact CE2-SD 3.57Å; Y264-M268 VanDerWaalsContact CE2-SD 3.57Å; Y264-M268 HydrophobicContact CG-CG 4.24Å; Y264-M268 WeakPolarHBondContact O-CB 3.25Å; Y264-M268 VanDerWaalsContact O-CG 3.24Å; Y264-M268 WeakPolarHBondContact O-CG 3.22Å; Y264-M268 PolarHBondContact O-N 3.35Å; M268-H271 PolarHBondContact O-N 2.74Å; M268-N272 WeakPolarHBondContact O-CB 3.5Å; M268-N272 PolarHBondContact O-N 3.15Å; M268-N272 VanDerWaalsContact O-N 3.12Å; M268-N272 PolarHBondContact O-ND2 2.82Å; M268-W357 HydrophobicContact CB-CD2 3.49Å; M268-W357 VanDerWaalsContact CB-CD2 3.49Å; M268-W357 HydrophobicContact CB-CE3 3.61Å; M268-W357 HydrophobicContact CB-CG 3.98Å; M268-W357 HydrophobicContact CB-CH2 4.11Å; M268-W357 HydrophobicContact CB-CZ2 3.99Å; M268-W357 HydrophobicContact CB-CZ3 3.96Å; M268-W357 HydrophobicContact CE-CZ2 4.17Å; M268-W357 HydrophobicContact CG-CD2 4.21Å; M268-W357 HydrophobicContact CG-CG 4.24Å; M268-D564 HydrophobicContact CE-CB 4.12Å; M268-D564 HydrophobicContact SD-CB 3.6Å; M268-D564 VanDerWaalsContact SD-CB 3.6Å
269T98.4Very high98.2Very high0 Ų011.1 Ų11.10%06%0.055CC..Hα-helixtrans-61-48.3175.8-59.70000110.5V210 P236 L255 E265 H271 N272 A273 W350 I354V210-T269 HydrophobicContact CB-CG2 4.04Å; V210-T269 HydrophobicContact CG2-CG2 3.78Å; P236-T269 HydrophobicContact CB-CG2 4.34Å; P236-T269 HydrophobicContact CG-CG2 4.13Å; L255-T269 HydrophobicContact CD1-CG2 3.58Å; L255-T269 WeakPolarHBondContact CD1-OG1 3.41Å; E265-T269 WeakPolarHBondContact O-CB 3.49Å; E265-T269 PolarHBondContact O-N 3.18Å; E265-T269 PolarHBondContact O-OG1 3.1Å; T269-H271 PolarHBondContact O-N 2.97Å; T269-N272 PolarHBondContact O-N 3.11Å; T269-A273 WeakPolarHBondContact O-CB 3.27Å; T269-A273 PolarHBondContact O-N 2.77Å; T269-A273 VanDerWaalsContact O-N 3.07Å; T269-W350 HydrophobicContact CG2-CH2 4.22Å; T269-W350 HydrophobicContact CG2-CZ2 3.5Å; T269-I354 HydrophobicContact CG2-CD1 3.92Å; T269-I354 HydrophobicContact CG2-CG1 4.28Å
270M98Very high98.3Very high0 Ų011.6 Ų11.60%06%0.06CC..Hα-helixtrans-60.7-45.2176.8-78.5-69.7-6500112.6V210 Y212 V238 L258 A266 N267 N272 A273 I276 Y294 C295 M563V210-M270 HydrophobicContact CG1-SD 3.59Å; V210-M270 VanDerWaalsContact CG1-SD 3.59Å; V210-M270 HydrophobicContact CG2-SD 4.15Å; Y212-M270 HydrophobicContact CD1-CE 4.16Å; Y212-M270 HydrophobicContact CG-CE 4.29Å; V238-M270 HydrophobicContact CG1-CG 4.31Å; V238-M270 HydrophobicContact CG2-CG 3.76Å; V238-M270 HydrophobicContact CG2-SD 3.62Å; L258-M270 HydrophobicContact CD1-CE 4.37Å; L258-M270 HydrophobicContact CD1-CG 4.27Å; A266-M270 WeakPolarHBondContact O-CG 3.46Å; A266-M270 PolarHBondContact O-N 2.87Å; N267-M270 PolarHBondContact O-N 2.92Å; M270-N272 VanDerWaalsContact C-N 3.29Å; M270-N272 PolarHBondContact O-N 3.41Å; M270-A273 PolarHBondContact O-N 2.79Å; M270-I276 HydrophobicContact CE-CD1 3.72Å; M270-I276 HydrophobicContact CE-CG1 4.15Å; M270-I276 HydrophobicContact CE-CG2 4.07Å; M270-I276 HydrophobicContact SD-CD1 4.46Å; M270-I276 HydrophobicContact SD-CG1 4.34Å; M270-I276 HydrophobicContact SD-CG2 4.49Å; M270-Y294 VanDerWaalsContact CE-OH 3.27Å; M270-Y294 WeakPolarHBondContact CE-OH 3.47Å; M270-C295 PolarHBondContact O-SG 3.4Å; M270-M563 HydrophobicContact CB-CE 3.56Å; M270-M563 HydrophobicContact CB-SD 3.61Å; M270-M563 HydrophobicContact CG-CE 4.06Å
271H97.7Very high98.3Very high27 Ų2710.6 Ų10.613%0.1256%0.055CC..Hα-helixtrans-60.6-39.9-178.7-170.285.5000112.7N267 M268 T269 M563 D564N267-H271 WeakPolarHBondContact O-CB 3.38Å; N267-H271 PolarHBondContact O-N 3.39Å; M268-H271 PolarHBondContact O-N 2.74Å; T269-H271 PolarHBondContact O-N 2.97Å; H271-M563 HydrophobicContact CB-CB 4.04Å; H271-D564 HydrophobicContact CB-CB 4.11Å; H271-D564 IonicContact CD2-OD2 2.95Å; H271-D564 VanDerWaalsContact CE1-CG 3.46Å; H271-D564 IonicContact CE1-OD1 3.88Å; H271-D564 PolarHBondContact CE1-OD1 3.42Å; H271-D564 IonicContact CE1-OD2 3.48Å; H271-D564 IonicContact CG-OD1 2.75Å; H271-D564 IonicContact ND1-OD1 2.61Å; H271-D564 PolarHBondContact ND1-OD1 2.86Å; H271-D564 IonicContact NE2-OD1 3.49Å; H271-D564 IonicContact NE2-OD2 3.47Å
272N98Very high98.3Very high49 Ų4914.2 Ų14.226%0.2627%0.069SC..Hα-helixtrans-96.91.3-172-70.3-86.4000114K208 M268 T269 M270 W350 W357K208-N272 WeakPolarHBondContact CD-O 3.47Å; M268-N272 WeakPolarHBondContact O-CB 3.5Å; M268-N272 PolarHBondContact O-N 3.15Å; M268-N272 VanDerWaalsContact O-N 3.12Å; M268-N272 PolarHBondContact O-ND2 2.82Å; T269-N272 PolarHBondContact O-N 3.11Å; M270-N272 VanDerWaalsContact C-N 3.29Å; M270-N272 PolarHBondContact O-N 3.41Å; N272-W350 HydrophobicContact CB-CH2 3.8Å; N272-W350 HydrophobicContact CB-CZ3 4.06Å; N272-W357 HydrophobicContact CB-CH2 3.94Å
273A98.5Very high98.2Very high0 Ų014.4 Ų14.40%07%0.069CC..  trans-66.9145.3178.900000111.9K208 V210 T269 M270 I276K208-A273 VanDerWaalsContact O-CA 3.24Å; K208-A273 WeakPolarHBondContact O-CA 3.47Å; K208-A273 WeakPolarHBondContact O-CB 3.42Å; V210-A273 HydrophobicContact CB-CB 4.34Å; V210-A273 HydrophobicContact CG1-CB 3.53Å; T269-A273 WeakPolarHBondContact O-CB 3.27Å; T269-A273 PolarHBondContact O-N 2.77Å; T269-A273 VanDerWaalsContact O-N 3.07Å; M270-A273 PolarHBondContact O-N 2.79Å; A273-I276 HydrophobicContact CB-CG1 4.21Å
274D98.5Very high98.2Very high42 Ų4215.5 Ų15.523%0.2258%0.075CC..SBendtrans-95.2-20.8170.968.5-14.5000112.3K207 K208 A298 T299K207-D274 WeakPolarHBondContact CA-OD2 3.38Å; K207-D274 WeakPolarHBondContact CB-OD2 3.12Å; K207-D274 PolarHBondContact N-OD2 3.48Å; K208-D274 WeakPolarHBondContact CA-OD1 3.44Å; K208-D274 HydrophobicContact CB-CB 4.32Å; K208-D274 PolarHBondContact N-OD1 2.81Å; K208-D274 PolarHBondContact N-OD2 3.27Å; K208-D274 VanDerWaalsContact N-OD2 3.15Å; K208-D274 PolarHBondContact O-N 3.06Å; K208-D274 VanDerWaalsContact O-N 3.13Å; D274-A298 CarbonylContact O-C 3.48Å; D274-A298 WeakPolarHBondContact O-CA 3.12Å; D274-T299 PolarHBondContact O-N 3.12Å
275V98.8Very high98.1Very high6 Ų618.7 Ų18.74%0.0369%0.094CC..EExtended strand (participates in β ladder)trans-137.3126.5173.1178.60000109.9T202 L203 A206 P209 V210 T299 L301T202-V275 HydrophobicContact CG2-CG2 4.2Å; L203-V275 HydrophobicContact CD1-CG1 4.15Å; A206-V275 HydrophobicContact CB-CB 3.85Å; A206-V275 HydrophobicContact CB-CG2 3.52Å; P209-V275 WeakPolarHBondContact CA-O 3.41Å; V210-V275 PolarHBondContact N-O 3.05Å; V275-T299 CarbonylContact C-O 3.53Å; V275-T299 WeakPolarHBondContact CA-O 3.45Å; V275-L301 HydrophobicContact CG1-CD1 3.72Å; V275-L301 HydrophobicContact CG1-CG 3.92Å
276I98.8Very high98Very high0 Ų024.4 Ų24.40%012%0.115CC..EExtended strand (participates in β ladder)trans-106.7115171.2-66.8166.8000108.2V210 M270 A273 A278 C295 A298 T299 L301V210-I276 HydrophobicContact CG1-CB 4.49Å; V210-I276 HydrophobicContact CG1-CG1 3.86Å; M270-I276 HydrophobicContact CE-CD1 3.72Å; M270-I276 HydrophobicContact CE-CG1 4.15Å; M270-I276 HydrophobicContact CE-CG2 4.07Å; M270-I276 HydrophobicContact SD-CD1 4.46Å; M270-I276 HydrophobicContact SD-CG1 4.34Å; M270-I276 HydrophobicContact SD-CG2 4.49Å; A273-I276 HydrophobicContact CB-CG1 4.21Å; I276-A278 HydrophobicContact CG2-CB 4.38Å; I276-A278 PolarHBondContact O-N 3.11Å; I276-C295 HydrophobicContact CD1-CB 3.53Å; I276-C295 VanDerWaalsContact CD1-SG 3.55Å; I276-A298 HydrophobicContact CD1-CB 3.53Å; I276-A298 HydrophobicContact CG1-CB 3.8Å; I276-T299 PolarHBondContact N-O 3.08Å; I276-L301 PolarHBondContact O-N 3.3Å
277F98.8Very high97.8Very high1 Ų125 Ų250%0.00412%0.118CC..EExtended strand (participates in β ladder)trans-9492171.6-175.8-147.1000110.4L203 V210 V211 Y212 V279 L301 I303 L328 M331L203-F277 HydrophobicContact CD1-CB 4.06Å; L203-F277 HydrophobicContact CD2-CB 4.47Å; L203-F277 HydrophobicContact CD2-CD1 3.71Å; L203-F277 HydrophobicContact CD2-CE1 4.13Å; L203-F277 HydrophobicContact CD2-CG 4.13Å; V210-F277 PolarHBondContact O-N 3.13Å; V211-F277 CarbonylContact C-O 3.5Å; V211-F277 WeakPolarHBondContact CA-O 3.22Å; V211-F277 HydrophobicContact CG1-CD1 4.11Å; V211-F277 HydrophobicContact CG2-CB 4.48Å; V211-F277 HydrophobicContact CG2-CD1 4.1Å; Y212-F277 PolarHBondContact N-O 2.82Å; F277-V279 HydrophobicContact CD1-CG2 4.09Å; F277-V279 HydrophobicContact CD2-CG2 4.25Å; F277-V279 HydrophobicContact CE1-CG2 3.85Å; F277-V279 HydrophobicContact CE2-CG2 4.05Å; F277-V279 HydrophobicContact CG-CG2 4.28Å; F277-V279 HydrophobicContact CZ-CG2 3.83Å; F277-L301 HydrophobicContact CD2-CB 3.93Å; F277-L301 HydrophobicContact CD2-CD1 4.32Å; F277-I303 HydrophobicContact CE2-CD1 3.33Å; F277-I303 HydrophobicContact CE2-CG1 3.92Å; F277-I303 HydrophobicContact CZ-CD1 3.46Å; F277-I303 VanDerWaalsContact CZ-CD1 3.46Å; F277-L328 HydrophobicContact CE1-CD2 3.9Å; F277-L328 HydrophobicContact CZ-CD2 3.81Å; F277-M331 HydrophobicContact CE1-CE 4.11Å; F277-M331 HydrophobicContact CE1-SD 4.32Å; F277-M331 HydrophobicContact CE2-CE 4.25Å; F277-M331 HydrophobicContact CE2-SD 4.1Å; F277-M331 HydrophobicContact CZ-CE 3.71Å; F277-M331 HydrophobicContact CZ-SD 3.5Å; F277-M331 WeakPolarHBondContact CZ-SD 3.48Å
278A98.8Very high97.6Very high0 Ų025.1 Ų25.10%012%0.119CC..EExtended strand (participates in β ladder)trans-84.5113.5-177.300000111.4Y212 I276 V281 F283 L301 H302 I303Y212-A278 WeakPolarHBondContact O-CA 3.39Å; I276-A278 HydrophobicContact CG2-CB 4.38Å; I276-A278 PolarHBondContact O-N 3.11Å; A278-V281 HydrophobicContact CB-CG2 3.33Å; A278-F283 HydrophobicContact CB-CE2 4Å; A278-F283 HydrophobicContact CB-CZ 3.57Å; A278-L301 WeakPolarHBondContact CA-O 3.38Å; A278-L301 WeakPolarHBondContact CB-O 3.45Å; A278-L301 PolarHBondContact N-O 3.07Å; A278-H302 HydrophobicContact CB-CB 4.5Å; A278-I303 PolarHBondContact O-N 2.99Å
279V98.8Very high97.5Very high0 Ų025.8 Ų25.80%012%0.123CC..EExtended strand (participates in β ladder)trans-114.3103.3-177-174.30000110.3V211 Y212 G214 A217 F277 I303 A324 L328V211-V279 HydrophobicContact CG1-CG2 4.13Å; Y212-V279 PolarHBondContact O-N 3.4Å; G214-V279 PolarHBondContact N-O 3.42Å; A217-V279 HydrophobicContact CB-CG1 4.34Å; F277-V279 HydrophobicContact CD1-CG2 4.09Å; F277-V279 HydrophobicContact CD2-CG2 4.25Å; F277-V279 HydrophobicContact CE1-CG2 3.85Å; F277-V279 HydrophobicContact CE2-CG2 4.05Å; F277-V279 HydrophobicContact CG-CG2 4.28Å; F277-V279 HydrophobicContact CZ-CG2 3.83Å; V279-I303 HydrophobicContact CG2-CD1 4.43Å; V279-A324 HydrophobicContact CG1-CB 3.98Å; V279-L328 HydrophobicContact CG1-CD1 4.24Å
280G98.3Very high97.3Very high10 Ų1028 Ų2810%0.10314%0.135CC..SBendtrans66.739.5175.400000113.8G214 G215 G216 I303G214-G280 CarbonylContact C-O 3.58Å; G214-G280 VanDerWaalsContact CA-O 3.23Å; G214-G280 WeakPolarHBondContact CA-O 3.32Å; G215-G280 PolarHBondContact N-O 3.25Å; G216-G280 PolarHBondContact N-O 2.94Å; G280-I303 PolarHBondContact N-O 3.4Å
281V97.9Very high97.2Very high5 Ų532.2 Ų32.23%0.0316%0.157CC..  trans-115.1149.1-177.5-63.70000111.3Y212 G214 A278 F283 H302Y212-V281 HydrophobicContact CD1-CB 4.09Å; Y212-V281 HydrophobicContact CD1-CG1 3.81Å; Y212-V281 HydrophobicContact CD1-CG2 3.83Å; Y212-V281 HydrophobicContact CD2-CG1 3.85Å; Y212-V281 HydrophobicContact CE1-CB 3.69Å; Y212-V281 HydrophobicContact CE1-CG1 3.66Å; Y212-V281 HydrophobicContact CE1-CG2 3.8Å; Y212-V281 HydrophobicContact CE2-CB 4.47Å; Y212-V281 HydrophobicContact CE2-CG1 3.64Å; Y212-V281 HydrophobicContact CG-CG1 3.91Å; Y212-V281 WeakPolarHBondContact O-CG1 3.32Å; G214-V281 VanDerWaalsContact CA-CG1 3.44Å; A278-V281 HydrophobicContact CB-CG2 3.33Å; V281-F283 HydrophobicContact CG2-CD2 4.16Å; V281-F283 HydrophobicContact CG2-CE2 3.77Å; V281-F283 HydrophobicContact CG2-CZ 4.04Å; V281-H302 PolarHBondContact O-NE2 2.93Å
282R97.1Very high97.1Very high88 Ų8835.5 Ų35.533%0.33219%0.189SC..  trans-109.27.7178.169.2179.4-177.975.43.4115.1D284R282-D284 IonicContact CZ-OD2 2.94Å; R282-D284 IonicContact NH1-OD2 3.12Å; R282-D284 PolarHBondContact NH1-OD2 3.33Å; R282-D284 VanDerWaalsContact NH2-CG 3.33Å; R282-D284 IonicContact NH2-OD2 3.68Å; R282-D284 PolarHBondContact NH2-OD2 2.88Å; R282-D284 PolarHBondContact O-N 2.95Å
283F97.4Very high97Very high3 Ų337.2 Ų37.21%0.01319%0.194CC..  trans46.464.1-176.9-64.5-85.6000112.4Y212 A278 V281 T288 Y294 V300 H302 T313 V314Y212-F283 HydrophobicContact CD1-CD1 4.5Å; Y212-F283 HydrophobicContact CD1-CE1 4.04Å; Y212-F283 HydrophobicContact CD1-CZ 4.49Å; Y212-F283 HydrophobicContact CE1-CD1 4.06Å; Y212-F283 HydrophobicContact CE1-CE1 4.06Å; A278-F283 HydrophobicContact CB-CE2 4Å; A278-F283 HydrophobicContact CB-CZ 3.57Å; V281-F283 HydrophobicContact CG2-CD2 4.16Å; V281-F283 HydrophobicContact CG2-CE2 3.77Å; V281-F283 HydrophobicContact CG2-CZ 4.04Å; F283-T288 HydrophobicContact CB-CG2 4.03Å; F283-Y294 AromaticContact CD1-CE1 3.95Å; F283-Y294 HydrophobicContact CD1-CE1 3.95Å; F283-Y294 HydrophobicContact CE1-CE1 4.06Å; F283-V300 HydrophobicContact CE2-CG1 4.5Å; F283-V300 HydrophobicContact CZ-CG1 3.85Å; F283-H302 AromaticContact CD2-CE1 3.94Å; F283-H302 AromaticContact CE2-CE1 3.7Å; F283-H302 AromaticContact CE2-CG 3.99Å; F283-H302 AromaticContact CE2-ND1 3.74Å; F283-H302 AromaticContact CE2-NE2 3.92Å; F283-T313 HydrophobicContact CB-CG2 4.36Å; F283-T313 WeakPolarHBondContact O-CG2 3.27Å; F283-V314 HydrophobicContact CB-CB 4.39Å; F283-V314 HydrophobicContact CB-CG2 3.92Å; F283-V314 HydrophobicContact CD1-CB 3.98Å; F283-V314 HydrophobicContact CD1-CG2 3.68Å; F283-V314 HydrophobicContact CD2-CB 4.26Å; F283-V314 HydrophobicContact CE1-CB 4.27Å; F283-V314 HydrophobicContact CE1-CG1 4.39Å; F283-V314 HydrophobicContact CE1-CG2 4.33Å; F283-V314 HydrophobicContact CG-CB 3.96Å; F283-V314 HydrophobicContact CG-CG2 3.84Å
284D97.3Very high96.9Very high29 Ų2938.1 Ų38.116%0.15520%0.197CC..  trans-71.1153.4-177.5-179.9-106.7000112.8R282 R286 T287 T288R282-D284 IonicContact CZ-OD2 2.94Å; R282-D284 IonicContact NH1-OD2 3.12Å; R282-D284 PolarHBondContact NH1-OD2 3.33Å; R282-D284 VanDerWaalsContact NH2-CG 3.33Å; R282-D284 IonicContact NH2-OD2 3.68Å; R282-D284 PolarHBondContact NH2-OD2 2.88Å; R282-D284 PolarHBondContact O-N 2.95Å; D284-R286 PolarHBondContact O-N 3.49Å; D284-R286 VanDerWaalsContact O-N 3.16Å; D284-R286 WeakPolarHBondContact OD1-CA 3.23Å; D284-R286 WeakPolarHBondContact OD1-CB 3.49Å; D284-R286 WeakPolarHBondContact OD1-CG 3.36Å; D284-R286 PolarHBondContact OD1-N 3.29Å; D284-T287 PolarHBondContact O-N 2.89Å; D284-T287 PolarHBondContact O-OG1 3.15Å; D284-T288 PolarHBondContact O-N 3.04Å; D284-T288 PolarHBondContact O-OG1 3.22Å
285D95.5Very high96.7Very high90 Ų9036.5 Ų36.548%0.48119%0.189SC..Hα-helixtrans-61.7-25.6179.665.4-102.9000113.6T287 N289D285-T287 PolarHBondContact O-N 3.33Å; D285-N289 PolarHBondContact O-N 3.5Å
286R95.7Very high96.5Very high141 Ų14140 Ų4053%0.53221%0.212SC..Hα-helixtrans-72.1-14.6173.1-53.2-59.4167.3178.5-6.2113G259 M260 D284G259-R286 CarbonylContact C-O 3.49Å; G259-R286 WeakPolarHBondContact CA-O 3.4Å; M260-R286 WeakPolarHBondContact CB-O 3.42Å; M260-R286 PolarHBondContact N-O 2.97Å; D284-R286 PolarHBondContact O-N 3.49Å; D284-R286 VanDerWaalsContact O-N 3.16Å; D284-R286 WeakPolarHBondContact OD1-CA 3.23Å; D284-R286 WeakPolarHBondContact OD1-CB 3.49Å; D284-R286 WeakPolarHBondContact OD1-CG 3.36Å; D284-R286 PolarHBondContact OD1-N 3.29Å
287T94Very high96.3Very high11 Ų1146 Ų467%0.06725%0.245CC..Hα-helixtrans-102.7-37.3171.464.70000112.5Y212 L258 D284 D285Y212-T287 PolarHBondContact OH-OG1 3.3Å; L258-T287 HydrophobicContact CD1-CG2 4.31Å; L258-T287 HydrophobicContact CG-CG2 4.45Å; D284-T287 PolarHBondContact O-N 2.89Å; D284-T287 PolarHBondContact O-OG1 3.15Å; D285-T287 PolarHBondContact O-N 3.33Å
288T95.5Very high96.3Very high3 Ų346.9 Ų46.92%0.01825%0.251CS..Hα-helixtrans-84.8-29.9-173.763.20000114.4F283 D284 N290 L291 Y294 V314F283-T288 HydrophobicContact CB-CG2 4.03Å; D284-T288 PolarHBondContact O-N 3.04Å; D284-T288 PolarHBondContact O-OG1 3.22Å; T288-N290 PolarHBondContact O-N 2.99Å; T288-L291 HydrophobicContact CG2-CD2 3.94Å; T288-Y294 HydrophobicContact CG2-CD2 4.03Å; T288-Y294 HydrophobicContact CG2-CE1 4.34Å; T288-Y294 HydrophobicContact CG2-CE2 3.82Å; T288-Y294 HydrophobicContact CG2-CG 4.36Å; T288-V314 HydrophobicContact CG2-CG2 4.33Å
289N94.9Very high96.2Very high37 Ų3749.3 Ų49.320%0.19827%0.267CS..SBendtrans53.2-92.5-174.7-172.518.5000112.7D285 Q557 I558 G560 G561D285-N289 PolarHBondContact O-N 3.5Å; N289-Q557 VanDerWaalsContact CB-OE1 3.3Å; N289-I558 PolarHBondContact ND2-O 2.69Å; N289-G560 PolarHBondContact OD1-N 3.21Å; N289-G560 VanDerWaalsContact OD1-N 3.11Å; N289-G561 PolarHBondContact ND2-O 3.02Å
290N96Very high96.2Very high46 Ų4649.7 Ų49.725%0.24627%0.269CS..  trans-103.9106.5175.5-173.8-14.4000111.8T288 A292 K293 Y294 G560 G561T288-N290 PolarHBondContact O-N 2.99Å; N290-A292 VanDerWaalsContact C-N 3.27Å; N290-A292 PolarHBondContact O-N 3.34Å; N290-A292 WeakPolarHBondContact OD1-CB 3.48Å; N290-A292 PolarHBondContact OD1-N 2.55Å; N290-K293 HydrophobicContact CB-CB 4.4Å; N290-K293 CarbonylContact O-C 3.17Å; N290-K293 PolarHBondContact O-N 2.84Å; N290-Y294 PolarHBondContact O-N 3.2Å; N290-Y294 VanDerWaalsContact O-N 3.09Å; N290-G560 WeakPolarHBondContact CB-O 3.49Å; N290-G560 PolarHBondContact ND2-O 3.29Å; N290-G561 VanDerWaalsContact CB-O 3.22Å; N290-G561 WeakPolarHBondContact CB-O 3.39Å
291L95.2Very high96.3Very high89 Ų8949.2 Ų49.247%0.46626%0.264SS..G310 helixtrans-58.8-33.3179.7-68.5173.2000114T288 K293 Y294 T313 V314T288-L291 HydrophobicContact CG2-CD2 3.94Å; L291-K293 PolarHBondContact O-N 3.16Å; L291-Y294 PolarHBondContact O-N 3.22Å; L291-T313 HydrophobicContact CD1-CG2 3.87Å; L291-T313 HydrophobicContact CD2-CG2 3.67Å; L291-T313 HydrophobicContact CG-CG2 4.4Å; L291-V314 HydrophobicContact CD2-CG2 4.03Å
292A95.4Very high96.3Very high96 Ų9649 Ų4979%0.79326%0.262SS*.G310 helixtrans-68.3-18.4179.100000112.9N290N290-A292 VanDerWaalsContact C-N 3.27Å; N290-A292 PolarHBondContact O-N 3.34Å; N290-A292 WeakPolarHBondContact OD1-CB 3.48Å; N290-A292 PolarHBondContact OD1-N 2.55Å
293K96Very high96.4Very high85 Ų8544.8 Ų44.837%0.3725%0.246SC..G310 helixtrans-112.74.9177.7-64.3-179.3168.5-1740112.6N290 L291 C295 E565N290-K293 HydrophobicContact CB-CB 4.4Å; N290-K293 CarbonylContact O-C 3.17Å; N290-K293 PolarHBondContact O-N 2.84Å; L291-K293 PolarHBondContact O-N 3.16Å; K293-C295 PolarHBondContact O-N 3.42Å; K293-E565 IonicContact NZ-OE1 2.8Å; K293-E565 IonicContact NZ-OE2 3.5Å; K293-E565 PolarHBondContact NZ-OE2 3.46Å
294Y95.9Very high96.4Very high18 Ų1845.3 Ų45.37%0.07125%0.25CC..SBendtrans-78.3112.9-173-175.2-101.7000110.1M270 F283 T288 N290 L291 V314 M563M270-Y294 VanDerWaalsContact CE-OH 3.27Å; M270-Y294 WeakPolarHBondContact CE-OH 3.47Å; F283-Y294 AromaticContact CD1-CE1 3.95Å; F283-Y294 HydrophobicContact CD1-CE1 3.95Å; F283-Y294 HydrophobicContact CE1-CE1 4.06Å; T288-Y294 HydrophobicContact CG2-CD2 4.03Å; T288-Y294 HydrophobicContact CG2-CE1 4.34Å; T288-Y294 HydrophobicContact CG2-CE2 3.82Å; T288-Y294 HydrophobicContact CG2-CG 4.36Å; N290-Y294 PolarHBondContact O-N 3.2Å; N290-Y294 VanDerWaalsContact O-N 3.09Å; L291-Y294 PolarHBondContact O-N 3.22Å; Y294-V314 HydrophobicContact CD1-CG1 4.44Å; Y294-V314 HydrophobicContact CD1-CG2 3.79Å; Y294-V314 HydrophobicContact CE1-CG1 4.42Å; Y294-V314 HydrophobicContact CE1-CG2 3.84Å; Y294-M563 HydrophobicContact CD2-CG 3.93Å; Y294-M563 HydrophobicContact CD2-SD 3.74Å; Y294-M563 HydrophobicContact CE2-CE 4.35Å; Y294-M563 HydrophobicContact CE2-CG 4.04Å; Y294-M563 HydrophobicContact CE2-SD 3.29Å; Y294-M563 WeakPolarHBondContact CE2-SD 3.35Å
295C95.6Very high96.5Very high8 Ų845.5 Ų45.55%0.05425%0.25CS..SBendtrans4660.2171.5-580000113.7M270 I276 K293 N297 A298M270-C295 PolarHBondContact O-SG 3.4Å; I276-C295 HydrophobicContact CD1-CB 3.53Å; I276-C295 VanDerWaalsContact CD1-SG 3.55Å; K293-C295 PolarHBondContact O-N 3.42Å; C295-N297 PolarHBondContact O-N 3.38Å; C295-A298 HydrophobicContact CB-CB 4.01Å; C295-A298 PolarHBondContact O-N 2.98Å; C295-A298 VanDerWaalsContact O-N 3.14Å
296P93.3Very high96.5Very high81 Ų8142.6 Ų42.653%0.52624%0.235SC..THydrogen-bonded Turntrans-63.9-18.9-162.425.6-36.1000115.4
297N94.8Very high96.5Very high126 Ų12639.8 Ų39.867%0.67424%0.235SC*.THydrogen-bonded Turntrans-109.42.2-176.4-57.8-49.8000113.3C295C295-N297 PolarHBondContact O-N 3.38Å
298A97.9Very high96.6Very high18 Ų1843.8 Ų43.815%0.14926%0.259CS..PPolyproline II helixtrans-86.1134-170.600000112.2D274 I276 C295D274-A298 CarbonylContact O-C 3.48Å; D274-A298 WeakPolarHBondContact O-CA 3.12Å; I276-A298 HydrophobicContact CD1-CB 3.53Å; I276-A298 HydrophobicContact CG1-CB 3.8Å; C295-A298 HydrophobicContact CB-CB 4.01Å; C295-A298 PolarHBondContact O-N 2.98Å; C295-A298 VanDerWaalsContact O-N 3.14Å
299T98.7Very high96.6Very high52 Ų5244.1 Ų44.132%0.31926%0.261SS..EExtended strand (participates in β ladder)trans-80.9125.3158.4-56.90000108.7T202 D274 V275 I276 L301 D317T202-T299 HydrophobicContact CG2-CG2 4.15Å; D274-T299 PolarHBondContact O-N 3.12Å; V275-T299 CarbonylContact C-O 3.53Å; V275-T299 WeakPolarHBondContact CA-O 3.45Å; I276-T299 PolarHBondContact N-O 3.08Å; T299-L301 HydrophobicContact CG2-CD2 4.41Å; T299-D317 WeakPolarHBondContact CA-OD2 3.39Å; T299-D317 HydrophobicContact CG2-CB 3.66Å
300V98.7Very high96.7Very high7 Ų743.6 Ų43.64%0.04226%0.258CS..EExtended strand (participates in β ladder)trans-100.9116.3-174-177.80000111.1F283 H302 V314 D317 I318F283-V300 HydrophobicContact CE2-CG1 4.5Å; F283-V300 HydrophobicContact CZ-CG1 3.85Å; V300-H302 HydrophobicContact CG1-CB 4.48Å; V300-V314 HydrophobicContact CG2-CG1 4.08Å; V300-D317 PolarHBondContact N-OD2 3.32Å; V300-D317 PolarHBondContact O-N 2.97Å; V300-I318 PolarHBondContact O-N 3.09Å; V300-I318 VanDerWaalsContact O-N 3.13Å
301L98.8Very high96.8Very high0 Ų043.9 Ų43.90%026%0.264CS..EExtended strand (participates in β ladder)trans-99.5115.7171.4-43.4179.7000107.7A199 T202 L203 V275 I276 F277 A278 T299 I318A199-L301 HydrophobicContact CB-CD1 4.19Å; A199-L301 HydrophobicContact CB-CD2 4.39Å; A199-L301 WeakPolarHBondContact O-CD1 3.08Å; T202-L301 HydrophobicContact CG2-CD2 4.08Å; L203-L301 HydrophobicContact CB-CD1 4.07Å; L203-L301 HydrophobicContact CD1-CD1 4.49Å; V275-L301 HydrophobicContact CG1-CD1 3.72Å; V275-L301 HydrophobicContact CG1-CG 3.92Å; I276-L301 PolarHBondContact O-N 3.3Å; F277-L301 HydrophobicContact CD2-CB 3.93Å; F277-L301 HydrophobicContact CD2-CD1 4.32Å; A278-L301 WeakPolarHBondContact CA-O 3.38Å; A278-L301 WeakPolarHBondContact CB-O 3.45Å; A278-L301 PolarHBondContact N-O 3.07Å; T299-L301 HydrophobicContact CG2-CD2 4.41Å; L301-I318 HydrophobicContact CD2-CB 3.68Å; L301-I318 HydrophobicContact CD2-CD1 3.57Å; L301-I318 HydrophobicContact CD2-CG1 3.76Å
302H98.7Very high96.9Very high0 Ų047 Ų470%027%0.274CS..EExtended strand (participates in β ladder)trans-122.3111.2-170.5-170-173.8000111.6A278 V281 F283 V300 D304 I310 A316 I318 I320A278-H302 HydrophobicContact CB-CB 4.5Å; V281-H302 PolarHBondContact O-NE2 2.93Å; F283-H302 AromaticContact CD2-CE1 3.94Å; F283-H302 AromaticContact CE2-CE1 3.7Å; F283-H302 AromaticContact CE2-CG 3.99Å; F283-H302 AromaticContact CE2-ND1 3.74Å; F283-H302 AromaticContact CE2-NE2 3.92Å; V300-H302 HydrophobicContact CG1-CB 4.48Å; H302-D304 IonicContact NE2-OD2 3.96Å; H302-I310 HydrophobicContact CB-CD1 4.2Å; H302-A316 HydrophobicContact CB-CB 3.63Å; H302-I318 PolarHBondContact N-O 2.85Å; H302-I320 PolarHBondContact O-N 3Å
303I98.6Very high97Very high0 Ų045.1 Ų45.10%025%0.253CS..EExtended strand (participates in β ladder)trans-95.1120.2169.5-55.6170.5000109.1F277 A278 V279 G280 I320 A324 V327 M331F277-I303 HydrophobicContact CE2-CD1 3.33Å; F277-I303 HydrophobicContact CE2-CG1 3.92Å; F277-I303 HydrophobicContact CZ-CD1 3.46Å; F277-I303 VanDerWaalsContact CZ-CD1 3.46Å; A278-I303 PolarHBondContact O-N 2.99Å; V279-I303 HydrophobicContact CG2-CD1 4.43Å; G280-I303 PolarHBondContact N-O 3.4Å; I303-I320 WeakPolarHBondContact CA-O 3.48Å; I303-I320 HydrophobicContact CG1-CB 4.08Å; I303-I320 HydrophobicContact CG1-CD1 4.02Å; I303-I320 HydrophobicContact CG1-CG2 4.46Å; I303-A324 HydrophobicContact CG2-CB 4.29Å; I303-V327 HydrophobicContact CD1-CB 4.2Å; I303-V327 HydrophobicContact CD1-CG1 3.42Å; I303-V327 VanDerWaalsContact CD1-CG1 3.42Å; I303-V327 HydrophobicContact CG1-CG1 3.94Å; I303-V327 HydrophobicContact CG2-CB 4.22Å; I303-V327 HydrophobicContact CG2-CG1 4.3Å; I303-V327 HydrophobicContact CG2-CG2 4.17Å; I303-M331 HydrophobicContact CD1-SD 4.38Å
304D98.5Very high97Very high15 Ų1542 Ų428%0.0824%0.241CC..EExtended strand (participates in β ladder)trans-145.6145.3170.6-151.5-62.4000110.8H302 D306 I310 I320 V321 G322H302-D304 IonicContact NE2-OD2 3.96Å; D304-D306 VanDerWaalsContact C-N 3.31Å; D304-D306 PolarHBondContact OD1-N 3.41Å; D304-I310 HydrophobicContact CB-CD1 3.58Å; D304-I310 HydrophobicContact CB-CG1 4.27Å; D304-I320 PolarHBondContact N-O 3.47Å; D304-I320 VanDerWaalsContact N-O 3.14Å; D304-V321 CarbonylContact O-C 3.58Å; D304-V321 VanDerWaalsContact O-CA 3.28Å; D304-V321 WeakPolarHBondContact O-CA 3.34Å; D304-G322 CarbonylContact C-O 3.59Å; D304-G322 PolarHBondContact O-N 2.9Å
305I98.1Very high97.1Very high32 Ų3246.2 Ų46.216%0.16427%0.268CS..SBendtrans-76.8-25.3175.5-170.168.2000111.1R153 T188 T189 P307 G322 D323R153-I305 HydrophobicContact CB-CG2 4.06Å; T188-I305 VanDerWaalsContact O-CD1 3.25Å; T188-I305 WeakPolarHBondContact O-CD1 3.34Å; T189-I305 HydrophobicContact CG2-CD1 4.34Å; I305-P307 WeakPolarHBondContact O-CD 3.34Å; I305-G322 WeakPolarHBondContact CA-O 3.32Å; I305-G322 PolarHBondContact N-O 3.5Å; I305-D323 HydrophobicContact CD1-CB 4.05Å
306D96.9Very high97.2Very high29 Ų2946.3 Ų46.316%0.15527%0.27CS..  trans-96.4109.2-179.8-171.9-14.9000110.2R153 D304 T308 S309R153-D306 HydrophobicContact CB-CB 4.06Å; D304-D306 VanDerWaalsContact C-N 3.31Å; D304-D306 PolarHBondContact OD1-N 3.41Å; D306-T308 PolarHBondContact O-N 3.01Å; D306-T308 VanDerWaalsContact O-N 3.08Å; D306-T308 VanDerWaalsContact OD1-CB 3.31Å; D306-T308 WeakPolarHBondContact OD1-CB 3.47Å; D306-T308 WeakPolarHBondContact OD1-CG2 3.43Å; D306-T308 PolarHBondContact OD1-N 3.47Å; D306-T308 PolarHBondContact OD1-OG1 3.06Å; D306-T308 PolarHBondContact OD2-OG1 3.41Å; D306-S309 WeakPolarHBondContact O-CB 3.35Å; D306-S309 PolarHBondContact O-N 3.3Å
307P96Very high97.4Very high82 Ų8246 Ų4653%0.53226%0.264SS..THydrogen-bonded Turntrans-61.2-21.1178.225.7-34.3000112.9I305 S309 V321I305-P307 WeakPolarHBondContact O-CD 3.34Å; P307-S309 VanDerWaalsContact C-N 3.3Å; P307-V321 HydrophobicContact CB-CG1 4.15Å; P307-V321 HydrophobicContact CB-CG2 4.12Å
308T95.2Very high97.6Very high96 Ų9640.1 Ų40.159%0.58923%0.232SC*.THydrogen-bonded Turntrans-77.9-14.9177.875.80000113.3D306D306-T308 PolarHBondContact O-N 3.01Å; D306-T308 VanDerWaalsContact O-N 3.08Å; D306-T308 VanDerWaalsContact OD1-CB 3.31Å; D306-T308 WeakPolarHBondContact OD1-CB 3.47Å; D306-T308 WeakPolarHBondContact OD1-CG2 3.43Å; D306-T308 PolarHBondContact OD1-N 3.47Å; D306-T308 PolarHBondContact OD1-OG1 3.06Å; D306-T308 PolarHBondContact OD2-OG1 3.41Å
309S96Very high97.6Very high9 Ų941.4 Ų41.46%0.06324%0.239CC..THydrogen-bonded Turntrans-83.4-26.5173.5-64.70000112.5D306 P307 S311 K312D306-S309 WeakPolarHBondContact O-CB 3.35Å; D306-S309 PolarHBondContact O-N 3.3Å; P307-S309 VanDerWaalsContact C-N 3.3Å; S309-S311 PolarHBondContact O-N 3.32Å; S309-K312 WeakPolarHBondContact O-CB 3.42Å; S309-K312 PolarHBondContact O-N 3.36Å
310I97.3Very high97.6Very high26 Ų2639 Ų3913%0.13322%0.224CC..THydrogen-bonded Turntrans-65.6128.4179.9-61.9-61000110.4H302 D304 K312 A316 P319 V321H302-I310 HydrophobicContact CB-CD1 4.2Å; D304-I310 HydrophobicContact CB-CD1 3.58Å; D304-I310 HydrophobicContact CB-CG1 4.27Å; I310-K312 PolarHBondContact O-N 2.94Å; I310-A316 HydrophobicContact CG2-CB 4.42Å; I310-P319 HydrophobicContact CG2-CB 3.47Å; I310-P319 VanDerWaalsContact CG2-CB 3.47Å; I310-V321 HydrophobicContact CG1-CG2 4.08Å
311S97.4Very high97.6Very high52 Ų5240.6 Ų40.636%0.36423%0.234SC..THydrogen-bonded Turntrans55.919.3179.9-57.60000115.1S309 V314 A316S309-S311 PolarHBondContact O-N 3.32Å; S311-V314 VanDerWaalsContact CA-O 3.3Å; S311-V314 WeakPolarHBondContact CA-O 3.18Å; S311-A316 PolarHBondContact OG-N 3.49Å
312K97.2Very high97.5Very high154 Ų15440.6 Ų40.667%0.6723%0.234SC*.SBendtrans-71.7-45.3178.7-175.9178.9-178.7173.90112.3S309 I310S309-K312 WeakPolarHBondContact O-CB 3.42Å; S309-K312 PolarHBondContact O-N 3.36Å; I310-K312 PolarHBondContact O-N 2.94Å
313T96.7Very high97.5Very high57 Ų5742.4 Ų42.435%0.3524%0.244SC..SBendtrans-113.1-50.1-176.5-500000111.6F283 L291F283-T313 HydrophobicContact CB-CG2 4.36Å; F283-T313 WeakPolarHBondContact O-CG2 3.27Å; L291-T313 HydrophobicContact CD1-CG2 3.87Å; L291-T313 HydrophobicContact CD2-CG2 3.67Å; L291-T313 HydrophobicContact CG-CG2 4.4Å
314V97Very high97.5Very high20 Ų2042.7 Ų42.712%0.12125%0.246CC..SBendtrans-116.3130.8176.1176.20000107.3F283 T288 L291 Y294 V300 S311 A316F283-V314 HydrophobicContact CB-CB 4.39Å; F283-V314 HydrophobicContact CB-CG2 3.92Å; F283-V314 HydrophobicContact CD1-CB 3.98Å; F283-V314 HydrophobicContact CD1-CG2 3.68Å; F283-V314 HydrophobicContact CD2-CB 4.26Å; F283-V314 HydrophobicContact CE1-CB 4.27Å; F283-V314 HydrophobicContact CE1-CG1 4.39Å; F283-V314 HydrophobicContact CE1-CG2 4.33Å; F283-V314 HydrophobicContact CG-CB 3.96Å; F283-V314 HydrophobicContact CG-CG2 3.84Å; T288-V314 HydrophobicContact CG2-CG2 4.33Å; L291-V314 HydrophobicContact CD2-CG2 4.03Å; Y294-V314 HydrophobicContact CD1-CG1 4.44Å; Y294-V314 HydrophobicContact CD1-CG2 3.79Å; Y294-V314 HydrophobicContact CE1-CG1 4.42Å; Y294-V314 HydrophobicContact CE1-CG2 3.84Å; V300-V314 HydrophobicContact CG2-CG1 4.08Å; S311-V314 VanDerWaalsContact CA-O 3.3Å; S311-V314 WeakPolarHBondContact CA-O 3.18Å; V314-A316 PolarHBondContact O-N 3.45Å
315T97Very high97.5Very high106 Ų10647.5 Ų47.565%0.6526%0.263SS*.  trans-66.9129.7179.7-60.10000109.6
316A98.1Very high97.5Very high10 Ų1049 Ų498%0.08327%0.27CS..  trans-91122.5175.200000110.2H302 I310 S311 V314 I318 P319H302-A316 HydrophobicContact CB-CB 3.63Å; I310-A316 HydrophobicContact CG2-CB 4.42Å; S311-A316 PolarHBondContact OG-N 3.49Å; V314-A316 PolarHBondContact O-N 3.45Å; A316-I318 VanDerWaalsContact C-N 3.34Å; A316-P319 HydrophobicContact CB-CB 4.26Å
317D98.5Very high97.5Very high76 Ų7647.7 Ų47.741%0.40626%0.262SS..SBendtrans-70.5-34.3174-62.4-75.6000111.9T299 V300T299-D317 WeakPolarHBondContact CA-OD2 3.39Å; T299-D317 HydrophobicContact CG2-CB 3.66Å; V300-D317 PolarHBondContact N-OD2 3.32Å; V300-D317 PolarHBondContact O-N 2.97Å
318I98.5Very high97.6Very high1 Ų143.8 Ų43.81%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-13094.5173.8-54.5-175.6000108.9Q195 R198 A199 T202 V300 L301 H302 A316 I320Q195-I318 HydrophobicContact CB-CG2 4.41Å; R198-I318 HydrophobicContact CB-CD1 4.24Å; R198-I318 HydrophobicContact CG-CD1 3.65Å; A199-I318 HydrophobicContact CB-CG2 3.96Å; T202-I318 WeakPolarHBondContact OG1-CD1 3.25Å; V300-I318 PolarHBondContact O-N 3.09Å; V300-I318 VanDerWaalsContact O-N 3.13Å; L301-I318 HydrophobicContact CD2-CB 3.68Å; L301-I318 HydrophobicContact CD2-CD1 3.57Å; L301-I318 HydrophobicContact CD2-CG1 3.76Å; H302-I318 PolarHBondContact N-O 2.85Å; A316-I318 VanDerWaalsContact C-N 3.34Å; I318-I320 HydrophobicContact CG2-CG1 4.5Å
319P98.3Very high97.8Very high46 Ų4642.8 Ų42.830%0.29923%0.226SC..EExtended strand (participates in β ladder)trans-81.2134.9175.831.5-33.5000111.3I310 A316I310-P319 HydrophobicContact CG2-CB 3.47Å; I310-P319 VanDerWaalsContact CG2-CB 3.47Å; A316-P319 HydrophobicContact CB-CB 4.26Å
320I98.5Very high97.8Very high1 Ų144 Ų441%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-127.8103.2173.5-56.6168.5000108.1Q195 I196 A199 H302 I303 D304 I318 V327Q195-I320 HydrophobicContact CB-CG1 4.05Å; I196-I320 HydrophobicContact CG1-CD1 4.36Å; I196-I320 HydrophobicContact CG1-CG2 4.09Å; A199-I320 HydrophobicContact CB-CD1 3.71Å; H302-I320 PolarHBondContact O-N 3Å; I303-I320 WeakPolarHBondContact CA-O 3.48Å; I303-I320 HydrophobicContact CG1-CB 4.08Å; I303-I320 HydrophobicContact CG1-CD1 4.02Å; I303-I320 HydrophobicContact CG1-CG2 4.46Å; D304-I320 PolarHBondContact N-O 3.47Å; D304-I320 VanDerWaalsContact N-O 3.14Å; I318-I320 HydrophobicContact CG2-CG1 4.5Å; I320-V327 HydrophobicContact CD1-CG1 4.4Å; I320-V327 HydrophobicContact CG2-CG1 3.89Å; I320-V327 HydrophobicContact CG2-CG2 3.77Å
321V98.1Very high97.8Very high41 Ų4142.9 Ų42.925%0.24823%0.225CC..EExtended strand (participates in β ladder)trans-82.4117.2172.2-176.70000108.7T188 G191 D304 P307 I310T188-V321 HydrophobicContact CG2-CG1 4.32Å; G191-V321 WeakPolarHBondContact CA-O 3.4Å; D304-V321 CarbonylContact O-C 3.58Å; D304-V321 VanDerWaalsContact O-CA 3.28Å; D304-V321 WeakPolarHBondContact O-CA 3.34Å; P307-V321 HydrophobicContact CB-CG1 4.15Å; P307-V321 HydrophobicContact CB-CG2 4.12Å; I310-V321 HydrophobicContact CG1-CG2 4.08Å
322G98Very high97.7Very high0 Ų042 Ų420%022%0.216CC..SBendtrans169.3170.8-179.600000113.6D304 I305 A324D304-G322 CarbonylContact C-O 3.59Å; D304-G322 PolarHBondContact O-N 2.9Å; I305-G322 WeakPolarHBondContact CA-O 3.32Å; I305-G322 PolarHBondContact N-O 3.5Å; G322-A324 PolarHBondContact O-N 3.16Å
323D98.1Very high97.6Very high37 Ų3740.3 Ų40.320%0.19821%0.21CC..  trans-69.4127.3173.7180-83.7000109.8T189 I305 R325 Q326 V327T189-D323 WeakPolarHBondContact O-CB 3.32Å; T189-D323 PolarHBondContact O-N 3.26Å; I305-D323 HydrophobicContact CD1-CB 4.05Å; D323-R325 PolarHBondContact O-N 3.05Å; D323-R325 WeakPolarHBondContact OD1-CA 3.32Å; D323-R325 WeakPolarHBondContact OD1-CB 3.5Å; D323-R325 PolarHBondContact OD1-N 3.06Å; D323-Q326 HydrophobicContact CB-CB 4.34Å; D323-Q326 HydrophobicContact CB-CG 4.24Å; D323-Q326 PolarHBondContact O-N 3.36Å; D323-Q326 VanDerWaalsContact O-N 3.17Å; D323-Q326 PolarHBondContact OD1-N 2.76Å; D323-V327 WeakPolarHBondContact O-CG2 3.32Å; D323-V327 PolarHBondContact O-N 3.32Å
324A98.3Very high97.6Very high7 Ų739.6 Ų39.66%0.05820%0.204CC..Hα-helixtrans-59.5-34.3-173.800000112.8A220 V279 I303 G322 L328A220-A324 HydrophobicContact CB-CB 3.98Å; V279-A324 HydrophobicContact CG1-CB 3.98Å; I303-A324 HydrophobicContact CG2-CB 4.29Å; G322-A324 PolarHBondContact O-N 3.16Å; A324-L328 WeakPolarHBondContact O-CB 3.5Å; A324-L328 VanDerWaalsContact O-CG 3.22Å; A324-L328 WeakPolarHBondContact O-CG 3.32Å; A324-L328 PolarHBondContact O-N 3.46Å
325R98.1Very high97.4Very high116 Ų11640.4 Ų40.444%0.43821%0.208SC..Hα-helixtrans-66.1-52.6176.4-177.8-177.7166.21700.4110.4A220 C222 D323 V327 L328 E329A220-R325 HydrophobicContact CB-CB 4.33Å; C222-R325 VanDerWaalsContact CB-CA 3.49Å; C222-R325 HydrophobicContact CB-CB 3.7Å; C222-R325 HydrophobicContact CB-CG 4.26Å; D323-R325 PolarHBondContact O-N 3.05Å; D323-R325 WeakPolarHBondContact OD1-CA 3.32Å; D323-R325 WeakPolarHBondContact OD1-CB 3.5Å; D323-R325 PolarHBondContact OD1-N 3.06Å; R325-V327 VanDerWaalsContact C-N 3.27Å; R325-V327 PolarHBondContact O-N 3.23Å; R325-L328 PolarHBondContact O-N 2.98Å; R325-E329 HydrophobicContact CG-CG 4.47Å; R325-E329 WeakPolarHBondContact CG-OE1 3.5Å; R325-E329 IonicContact CZ-OE1 3.89Å; R325-E329 IonicContact NE-OE1 3.45Å; R325-E329 PolarHBondContact NE-OE1 2.88Å; R325-E329 IonicContact NH2-OE1 3.7Å; R325-E329 WeakPolarHBondContact O-CG 3.33Å; R325-E329 PolarHBondContact O-N 2.62Å
326Q98Very high96.9Very high64 Ų6440 Ų4030%0.29921%0.209SC..Hα-helixtrans-63.4-34.4-178.6-64.8-172.535.100112.8T190 D323 Q330T190-Q326 VanDerWaalsContact CG2-OE1 3.27Å; D323-Q326 HydrophobicContact CB-CB 4.34Å; D323-Q326 HydrophobicContact CB-CG 4.24Å; D323-Q326 PolarHBondContact O-N 3.36Å; D323-Q326 VanDerWaalsContact O-N 3.17Å; D323-Q326 PolarHBondContact OD1-N 2.76Å; Q326-Q330 WeakPolarHBondContact O-CG 3.43Å; Q326-Q330 PolarHBondContact O-N 3.2Å; Q326-Q330 PolarHBondContact O-NE2 3.48Å; Q326-Q330 VanDerWaalsContact O-NE2 3.08Å
327V98.3Very high96.5Very high0 Ų045.8 Ų45.80%024%0.235CC..Hα-helixtrans-67.6-46.1175.7173.50000110.6I196 I303 I320 D323 R325 Q330 M331I196-V327 HydrophobicContact CD1-CG1 4.21Å; I196-V327 HydrophobicContact CD1-CG2 4.45Å; I196-V327 HydrophobicContact CG1-CG1 4.16Å; I303-V327 HydrophobicContact CD1-CB 4.2Å; I303-V327 HydrophobicContact CD1-CG1 3.42Å; I303-V327 VanDerWaalsContact CD1-CG1 3.42Å; I303-V327 HydrophobicContact CG1-CG1 3.94Å; I303-V327 HydrophobicContact CG2-CB 4.22Å; I303-V327 HydrophobicContact CG2-CG1 4.3Å; I303-V327 HydrophobicContact CG2-CG2 4.17Å; I320-V327 HydrophobicContact CD1-CG1 4.4Å; I320-V327 HydrophobicContact CG2-CG1 3.89Å; I320-V327 HydrophobicContact CG2-CG2 3.77Å; D323-V327 WeakPolarHBondContact O-CG2 3.32Å; D323-V327 PolarHBondContact O-N 3.32Å; R325-V327 VanDerWaalsContact C-N 3.27Å; R325-V327 PolarHBondContact O-N 3.23Å; V327-Q330 PolarHBondContact O-N 3.29Å; V327-M331 HydrophobicContact CG1-CG 4.49Å; V327-M331 HydrophobicContact CG1-SD 4.27Å; V327-M331 WeakPolarHBondContact O-CG 3.38Å; V327-M331 PolarHBondContact O-N 3.37Å
328L98.1Very high95.7Very high0 Ų044.6 Ų44.60%023%0.226CC..Hα-helixtrans-65.9-37.5178.3-71.4170.4000112.4C222 Q225 L226 T229 F277 V279 A324 R325 Q330 M331 L332C222-L328 HydrophobicContact CB-CD1 3.99Å; Q225-L328 HydrophobicContact CB-CB 3.81Å; L226-L328 HydrophobicContact CB-CD1 4.06Å; L226-L328 HydrophobicContact CD1-CD1 4.46Å; T229-L328 HydrophobicContact CG2-CD2 4.5Å; F277-L328 HydrophobicContact CE1-CD2 3.9Å; F277-L328 HydrophobicContact CZ-CD2 3.81Å; V279-L328 HydrophobicContact CG1-CD1 4.24Å; A324-L328 WeakPolarHBondContact O-CB 3.5Å; A324-L328 VanDerWaalsContact O-CG 3.22Å; A324-L328 WeakPolarHBondContact O-CG 3.32Å; A324-L328 PolarHBondContact O-N 3.46Å; R325-L328 PolarHBondContact O-N 2.98Å; L328-Q330 VanDerWaalsContact C-N 3.33Å; L328-Q330 PolarHBondContact O-N 2.99Å; L328-M331 HydrophobicContact CD2-SD 4.3Å; L328-M331 PolarHBondContact O-N 3.26Å; L328-L332 WeakPolarHBondContact O-CG 3.43Å; L328-L332 PolarHBondContact O-N 3.33Å
329E97.5Very high94.5Very high75 Ų7549 Ų4935%0.3526%0.258SS..Hα-helixtrans-57.7-45.6172.7-71.7172.7173.600111.2Q225 R325 L332 E333Q225-E329 HydrophobicContact CG-CG 3.68Å; Q225-E329 PolarHBondContact NE2-OE1 2.82Å; R325-E329 HydrophobicContact CG-CG 4.47Å; R325-E329 WeakPolarHBondContact CG-OE1 3.5Å; R325-E329 IonicContact CZ-OE1 3.89Å; R325-E329 IonicContact NE-OE1 3.45Å; R325-E329 PolarHBondContact NE-OE1 2.88Å; R325-E329 IonicContact NH2-OE1 3.7Å; R325-E329 WeakPolarHBondContact O-CG 3.33Å; R325-E329 PolarHBondContact O-N 2.62Å; E329-L332 PolarHBondContact O-N 2.97Å; E329-E333 PolarHBondContact O-N 3.41Å
330Q96.9Very high93.3Very high36 Ų3649.3 Ų49.317%0.16826%0.264CS..Hα-helixtrans-67.2-36.2175.8-73.1172.370.900112.8I196 Q326 V327 L328 E333 L334I196-Q330 HydrophobicContact CD1-CB 4.07Å; I196-Q330 HydrophobicContact CG2-CB 4.38Å; Q326-Q330 WeakPolarHBondContact O-CG 3.43Å; Q326-Q330 PolarHBondContact O-N 3.2Å; Q326-Q330 PolarHBondContact O-NE2 3.48Å; Q326-Q330 VanDerWaalsContact O-NE2 3.08Å; V327-Q330 PolarHBondContact O-N 3.29Å; L328-Q330 VanDerWaalsContact C-N 3.33Å; L328-Q330 PolarHBondContact O-N 2.99Å; Q330-E333 PolarHBondContact O-N 3.25Å; Q330-L334 WeakPolarHBondContact O-CB 3.41Å; Q330-L334 VanDerWaalsContact O-CG 3.32Å; Q330-L334 WeakPolarHBondContact O-CG 3.18Å; Q330-L334 PolarHBondContact O-N 2.72Å
331M96.7Very high92.6Very high2 Ų257.2 Ų57.21%0.0130%0.3CS..Hα-helixtrans-63.7-42.7174.9-73.5-177.270.500111.5I196 L200 L203 F277 I303 V327 L328 L334 L335I196-M331 HydrophobicContact CG2-CB 4.42Å; I196-M331 HydrophobicContact CG2-CG 3.38Å; L200-M331 HydrophobicContact CB-CE 4.25Å; L200-M331 HydrophobicContact CD1-CE 4.13Å; L203-M331 HydrophobicContact CD2-CE 4.23Å; F277-M331 HydrophobicContact CE1-CE 4.11Å; F277-M331 HydrophobicContact CE1-SD 4.32Å; F277-M331 HydrophobicContact CE2-CE 4.25Å; F277-M331 HydrophobicContact CE2-SD 4.1Å; F277-M331 HydrophobicContact CZ-CE 3.71Å; F277-M331 HydrophobicContact CZ-SD 3.5Å; F277-M331 WeakPolarHBondContact CZ-SD 3.48Å; I303-M331 HydrophobicContact CD1-SD 4.38Å; V327-M331 HydrophobicContact CG1-CG 4.49Å; V327-M331 HydrophobicContact CG1-SD 4.27Å; V327-M331 WeakPolarHBondContact O-CG 3.38Å; V327-M331 PolarHBondContact O-N 3.37Å; L328-M331 HydrophobicContact CD2-SD 4.3Å; L328-M331 PolarHBondContact O-N 3.26Å; M331-L334 PolarHBondContact O-N 3.21Å; M331-L335 WeakPolarHBondContact O-CB 3.44Å; M331-L335 PolarHBondContact O-N 2.87Å
332L96.1Very high92.3Very high34 Ų3456.9 Ų56.918%0.17830%0.296CS..Hα-helixtrans-64.4-41.9176.9-73.3168000112Q225 E228 T229 L328 E329 L334 L335 S336Q225-L332 HydrophobicContact CB-CD1 3.91Å; Q225-L332 HydrophobicContact CG-CD1 4.24Å; E228-L332 HydrophobicContact CB-CD1 4.03Å; E228-L332 HydrophobicContact CB-CD2 4.01Å; T229-L332 WeakPolarHBondContact OG1-CD2 3.19Å; L328-L332 WeakPolarHBondContact O-CG 3.43Å; L328-L332 PolarHBondContact O-N 3.33Å; E329-L332 PolarHBondContact O-N 2.97Å; L332-L334 PolarHBondContact O-N 3.48Å; L332-L335 PolarHBondContact O-N 3.47Å; L332-S336 PolarHBondContact O-N 3.33Å; L332-S336 VanDerWaalsContact O-N 3.13Å
333E95.9Very high92.1Very high118 Ų11858.1 Ų58.155%0.55130%0.304SS*.Hα-helixtrans-58.9-47.5174.1-173.3-176.7179.900111E329 Q330 S336E329-E333 PolarHBondContact O-N 3.41Å; Q330-E333 PolarHBondContact O-N 3.25Å; E333-S336 PolarHBondContact O-N 3.49Å; E333-S336 PolarHBondContact O-OG 2.83Å
334L95Very high91.9Very high41 Ų4162.5 Ų62.522%0.21533%0.327CS..Hα-helixtrans-65.5-38.6177.4-71.6171.4000112.4I196 K197 L200 Q330 M331 L332 S336 Q337 E338I196-L334 HydrophobicContact CG2-CD1 3.9Å; K197-L334 HydrophobicContact CB-CD1 4.16Å; L200-L334 HydrophobicContact CD2-CB 3.56Å; Q330-L334 WeakPolarHBondContact O-CB 3.41Å; Q330-L334 VanDerWaalsContact O-CG 3.32Å; Q330-L334 WeakPolarHBondContact O-CG 3.18Å; Q330-L334 PolarHBondContact O-N 2.72Å; M331-L334 PolarHBondContact O-N 3.21Å; L332-L334 PolarHBondContact O-N 3.48Å; L334-S336 VanDerWaalsContact C-N 3.27Å; L334-S336 PolarHBondContact O-N 2.96Å; L334-Q337 CarbonylContact O-C 3.34Å; L334-Q337 PolarHBondContact O-N 3.35Å; L334-E338 PolarHBondContact O-N 3.48Å
335L93.1Very high91.9Very high38 Ų3866.7 Ų66.720%0.19935%0.348CS..Hα-helixtrans-61.5-36.8179.1-178.660.3000111.6L200 V204 A232 L233 M331 L332 Q337 E338L200-L335 HydrophobicContact CD1-CB 4.3Å; L200-L335 HydrophobicContact CD1-CD1 4.24Å; L200-L335 HydrophobicContact CD2-CB 4.16Å; V204-L335 HydrophobicContact CG2-CD1 4.28Å; A232-L335 HydrophobicContact CB-CD2 3.86Å; L233-L335 HydrophobicContact CD1-CD2 4.38Å; L233-L335 HydrophobicContact CD2-CD1 3.83Å; L233-L335 HydrophobicContact CD2-CD2 4.07Å; L233-L335 HydrophobicContact CG-CD2 4.01Å; M331-L335 WeakPolarHBondContact O-CB 3.44Å; M331-L335 PolarHBondContact O-N 2.87Å; L332-L335 PolarHBondContact O-N 3.47Å; L335-Q337 PolarHBondContact O-N 3.03Å; L335-E338 PolarHBondContact O-N 3.48Å
336S87.8Confident91.9Very high98 Ų9864.4 Ų64.469%0.68534%0.342SS*.THydrogen-bonded Turntrans-65.3-19.2175.476.80000114.1L332 E333 L334L332-S336 PolarHBondContact O-N 3.33Å; L332-S336 VanDerWaalsContact O-N 3.13Å; E333-S336 PolarHBondContact O-N 3.49Å; E333-S336 PolarHBondContact O-OG 2.83Å; L334-S336 VanDerWaalsContact C-N 3.27Å; L334-S336 PolarHBondContact O-N 2.96Å
337Q89.6Confident91.9Very high131 Ų13161.6 Ų61.661%0.61233%0.33SS*.THydrogen-bonded Turntrans-104.2-11.7-178.8-60172.215.300112.4L334 L335L334-Q337 CarbonylContact O-C 3.34Å; L334-Q337 PolarHBondContact O-N 3.35Å; L335-Q337 PolarHBondContact O-N 3.03Å
338E79.8Confident91.8Very high50 Ų5067.3 Ų67.323%0.23435%0.351CS..  trans-79142.5-172.1-163.960.2-107.800110.5L334 L335 A340L334-E338 PolarHBondContact O-N 3.48Å; L335-E338 PolarHBondContact O-N 3.48Å; E338-A340 HydrophobicContact CG-CB 3.95Å
339S73.4Confident91.9Very high95 Ų9571 Ų7166%0.66437%0.371SS*.  trans-105.6-5.9177.7510000112.6H341S339-H341 PolarHBondContact O-CE1 3.2Å; S339-H341 PolarHBondContact O-ND1 3.04Å
340A74.4Confident91.9Very high51 Ų5167.6 Ų67.642%0.42136%0.355SS..  trans-67.5137.1175.400000110.7V204 E338V204-A340 HydrophobicContact CG1-CB 3.85Å; E338-A340 HydrophobicContact CG-CB 3.95Å
341H83.3Confident92Very high167 Ų16766.5 Ų66.577%0.77335%0.349SS*.  trans-108.6143.3-178.9-66.236.4000109.4S339S339-H341 PolarHBondContact O-CE1 3.2Å; S339-H341 PolarHBondContact O-ND1 3.04Å
342Q91.6Very high92.1Very high34 Ų3471.4 Ų71.416%0.15937%0.372CS..  trans-67.1148174.6-65.9-172.9-69.500111.1V204 L233 L344V204-Q342 HydrophobicContact CG1-CG 4.18Å; V204-Q342 WeakPolarHBondContact O-CA 3.11Å; L233-Q342 HydrophobicContact CD2-CG 4.32Å; L233-Q342 PolarHBondContact O-NE2 3.16Å; L233-Q342 PolarHBondContact O-OE1 3.43Å; Q342-L344 VanDerWaalsContact C-N 3.27Å; Q342-L344 HydrophobicContact CB-CD2 4.32Å; Q342-L344 PolarHBondContact O-N 2.84Å
343P94.1Very high92.2Very high26 Ų2672.5 Ų72.517%0.16938%0.376CS..  trans-71.882.917230.8-34000110V204 A206 K207 D345 E346 I347V204-P343 WeakPolarHBondContact O-CD 3.27Å; A206-P343 WeakPolarHBondContact O-CG 3.25Å; K207-P343 HydrophobicContact CG-CG 4.14Å; P343-D345 VanDerWaalsContact C-N 3.31Å; P343-D345 PolarHBondContact O-N 2.92Å; P343-E346 HydrophobicContact CB-CB 4.28Å; P343-E346 WeakPolarHBondContact CB-OE2 3.27Å; P343-E346 PolarHBondContact O-N 2.91Å; P343-I347 HydrophobicContact CG-CG1 4.43Å; P343-I347 WeakPolarHBondContact O-CG1 3.16Å; P343-I347 PolarHBondContact O-N 2.87Å
344L94.5Very high92.3Very high130 Ų13066.9 Ų66.968%0.68135%0.35SS*.Hα-helixtrans-58.6-37.6-167.4-64.5179.5000114Q342 R348Q342-L344 VanDerWaalsContact C-N 3.27Å; Q342-L344 HydrophobicContact CB-CD2 4.32Å; Q342-L344 PolarHBondContact O-N 2.84Å; L344-R348 WeakPolarHBondContact O-CB 3.25Å; L344-R348 PolarHBondContact O-N 3.38Å
345D97Very high92.5Very high95 Ų9567.7 Ų67.751%0.50835%0.353SS..Hα-helixtrans-66.2-47.4177.6-78.7-44.6000111P343 I347 R348 D349P343-D345 VanDerWaalsContact C-N 3.31Å; P343-D345 PolarHBondContact O-N 2.92Å; D345-I347 PolarHBondContact O-N 3.47Å; D345-R348 WeakPolarHBondContact O-CB 3.11Å; D345-R348 PolarHBondContact O-N 3.19Å; D345-R348 IonicContact OD1-CZ 2.72Å; D345-R348 VanDerWaalsContact OD1-CZ 3.28Å; D345-R348 IonicContact OD1-NH1 3.97Å; D345-R348 PolarHBondContact OD1-NH1 2.88Å; D345-R348 IonicContact OD1-NH2 2.89Å; D345-R348 PolarHBondContact OD1-NH2 3.44Å; D345-R348 VanDerWaalsContact OD1-NH2 3.16Å; D345-D349 PolarHBondContact O-N 3.47Å
346E98.1Very high92.7Very high67 Ų6772.3 Ų72.331%0.31337%0.373SS..Hα-helixtrans-64.5-38.4176.5-68.497.8141.300113K207 P343 R348 D349 W350K207-E346 HydrophobicContact CB-CB 3.86Å; K207-E346 HydrophobicContact CB-CG 4.27Å; K207-E346 HydrophobicContact CD-CG 4.03Å; K207-E346 WeakPolarHBondContact CE-OE1 3.27Å; K207-E346 HydrophobicContact CG-CB 4.02Å; K207-E346 HydrophobicContact CG-CG 4.06Å; K207-E346 IonicContact NZ-OE1 3.74Å; K207-E346 PolarHBondContact NZ-OE1 2.9Å; P343-E346 HydrophobicContact CB-CB 4.28Å; P343-E346 WeakPolarHBondContact CB-OE2 3.27Å; P343-E346 PolarHBondContact O-N 2.91Å; E346-R348 VanDerWaalsContact C-N 3.34Å; E346-R348 PolarHBondContact O-N 2.8Å; E346-D349 PolarHBondContact O-N 3.02Å; E346-W350 VanDerWaalsContact O-CB 3.3Å; E346-W350 WeakPolarHBondContact O-CB 3.33Å; E346-W350 PolarHBondContact O-N 3.14Å
347I97.8Very high93.2Very high6 Ų668.8 Ų68.83%0.03135%0.345CS..Hα-helixtrans-63.3-41.2174.5-67.1-64.3000111P209 P343 D345 W350 W351P209-I347 HydrophobicContact CG-CD1 3.74Å; P343-I347 HydrophobicContact CG-CG1 4.43Å; P343-I347 WeakPolarHBondContact O-CG1 3.16Å; P343-I347 PolarHBondContact O-N 2.87Å; D345-I347 PolarHBondContact O-N 3.47Å; I347-W350 PolarHBondContact O-N 2.84Å; I347-W351 VanDerWaalsContact O-CD1 3.3Å; I347-W351 PolarHBondContact O-N 2.97Å
348R98Very high93.6Very high120 Ų12065.1 Ų65.145%0.45333%0.325SS..Hα-helixtrans-61.8-47.7175.1-178.8-16666.6-135.3-12110.8L344 D345 E346 W350 W351 Q352L344-R348 WeakPolarHBondContact O-CB 3.25Å; L344-R348 PolarHBondContact O-N 3.38Å; D345-R348 WeakPolarHBondContact O-CB 3.11Å; D345-R348 PolarHBondContact O-N 3.19Å; D345-R348 IonicContact OD1-CZ 2.72Å; D345-R348 VanDerWaalsContact OD1-CZ 3.28Å; D345-R348 IonicContact OD1-NH1 3.97Å; D345-R348 PolarHBondContact OD1-NH1 2.88Å; D345-R348 IonicContact OD1-NH2 2.89Å; D345-R348 PolarHBondContact OD1-NH2 3.44Å; D345-R348 VanDerWaalsContact OD1-NH2 3.16Å; E346-R348 VanDerWaalsContact C-N 3.34Å; E346-R348 PolarHBondContact O-N 2.8Å; R348-W350 VanDerWaalsContact C-N 3.26Å; R348-W350 PolarHBondContact O-N 2.83Å; R348-W351 PolarHBondContact O-N 2.95Å; R348-Q352 WeakPolarHBondContact O-CG 3.2Å; R348-Q352 PolarHBondContact O-N 3.3Å
349D98.5Very high94.4Very high77 Ų7766.1 Ų66.141%0.41234%0.342SS..Hα-helixtrans-65.1-34.7-179.3-65.3-2.4000110.9D345 E346 Q352 Q353D345-D349 PolarHBondContact O-N 3.47Å; E346-D349 PolarHBondContact O-N 3.02Å; D349-Q352 PolarHBondContact O-N 3.22Å; D349-Q353 PolarHBondContact O-N 3.16Å
350W98.5Very high95.5Very high3 Ų365.7 Ų65.71%0.01133%0.326CS..Hα-helixtrans-62.6-48.4173.1-177.6-137.5000112.1K208 P209 T269 N272 E346 I347 R348 Q352 Q353 I354 W357K208-W350 HydrophobicContact CB-CD2 3.76Å; K208-W350 HydrophobicContact CB-CE3 4.1Å; K208-W350 HydrophobicContact CB-CG 4.11Å; K208-W350 HydrophobicContact CB-CH2 4.42Å; K208-W350 HydrophobicContact CB-CZ2 4.09Å; K208-W350 HydrophobicContact CB-CZ3 4.42Å; K208-W350 HydrophobicContact CD-CD2 4.32Å; K208-W350 HydrophobicContact CD-CE3 3.81Å; K208-W350 HydrophobicContact CD-CZ3 3.94Å; K208-W350 HydrophobicContact CG-CB 4.41Å; K208-W350 HydrophobicContact CG-CD2 3.85Å; K208-W350 HydrophobicContact CG-CE3 3.84Å; K208-W350 HydrophobicContact CG-CG 4.13Å; K208-W350 HydrophobicContact CG-CZ3 4.36Å; P209-W350 PolarHBondContact O-NE1 3.47Å; T269-W350 HydrophobicContact CG2-CH2 4.22Å; T269-W350 HydrophobicContact CG2-CZ2 3.5Å; N272-W350 HydrophobicContact CB-CH2 3.8Å; N272-W350 HydrophobicContact CB-CZ3 4.06Å; E346-W350 VanDerWaalsContact O-CB 3.3Å; E346-W350 WeakPolarHBondContact O-CB 3.33Å; E346-W350 PolarHBondContact O-N 3.14Å; I347-W350 PolarHBondContact O-N 2.84Å; R348-W350 VanDerWaalsContact C-N 3.26Å; R348-W350 PolarHBondContact O-N 2.83Å; W350-Q352 VanDerWaalsContact C-N 3.32Å; W350-Q352 PolarHBondContact O-N 3.06Å; W350-Q353 HydrophobicContact CE3-CB 4.22Å; W350-Q353 HydrophobicContact CZ3-CG 4.42Å; W350-Q353 WeakPolarHBondContact O-CB 3.4Å; W350-Q353 PolarHBondContact O-N 3.36Å; W350-Q353 VanDerWaalsContact O-N 3.14Å; W350-I354 HydrophobicContact CD2-CD1 4.06Å; W350-I354 HydrophobicContact CD2-CG1 4.26Å; W350-I354 HydrophobicContact CE3-CG1 4.5Å; W350-I354 HydrophobicContact CG-CD1 4.25Å; W350-I354 HydrophobicContact CZ2-CD1 4.21Å; W350-I354 HydrophobicContact CZ2-CG1 4.39Å; W350-I354 WeakPolarHBondContact O-CG1 3.32Å; W350-I354 PolarHBondContact O-N 3.47Å; W350-W357 AromaticContact CH2-CH2 3.75Å; W350-W357 HydrophobicContact CH2-CH2 3.75Å; W350-W357 AromaticContact CH2-CZ3 3.72Å; W350-W357 HydrophobicContact CH2-CZ3 3.72Å; W350-W357 AromaticContact CZ3-CH2 3.57Å; W350-W357 HydrophobicContact CZ3-CH2 3.57Å; W350-W357 AromaticContact CZ3-CZ3 3.78Å; W350-W357 HydrophobicContact CZ3-CZ3 3.78Å
351W98.6Very high96.5Very high14 Ų1468.5 Ų68.55%0.05333%0.33CS..Hα-helixtrans-60.6-39.4174-85108.1000112.5N234 P236 Q253 L255 I347 R348 Q353 I354 E355N234-W351 PolarHBondContact ND2-NE1 3.42Å; N234-W351 VanDerWaalsContact ND2-NE1 3.18Å; N234-W351 PolarHBondContact O-NE1 3.31Å; P236-W351 HydrophobicContact CB-CH2 3.61Å; P236-W351 HydrophobicContact CB-CZ2 3.9Å; P236-W351 HydrophobicContact CB-CZ3 4.29Å; P236-W351 HydrophobicContact CG-CZ2 4.42Å; Q253-W351 HydrophobicContact CB-CH2 4.04Å; Q253-W351 HydrophobicContact CB-CZ2 4.31Å; Q253-W351 HydrophobicContact CG-CH2 3.97Å; Q253-W351 HydrophobicContact CG-CZ2 3.86Å; L255-W351 HydrophobicContact CD2-CZ3 4.45Å; I347-W351 VanDerWaalsContact O-CD1 3.3Å; I347-W351 PolarHBondContact O-N 2.97Å; R348-W351 PolarHBondContact O-N 2.95Å; W351-Q353 VanDerWaalsContact C-N 3.3Å; W351-Q353 PolarHBondContact O-N 2.9Å; W351-I354 HydrophobicContact CE3-CB 4.34Å; W351-I354 HydrophobicContact CE3-CD1 4.24Å; W351-I354 HydrophobicContact CE3-CG2 4.22Å; W351-I354 HydrophobicContact CZ3-CD1 4.39Å; W351-I354 HydrophobicContact CZ3-CG2 4.12Å; W351-I354 PolarHBondContact O-N 3.26Å; W351-E355 VanDerWaalsContact O-CG 3.29Å; W351-E355 WeakPolarHBondContact O-CG 3.26Å; W351-E355 PolarHBondContact O-N 3.14Å
352Q98.5Very high97.1Very high105 Ų10561.3 Ų61.349%0.49130%0.298SS..Hα-helixtrans-59.4-41.9174.4-72.3178.94.300112R348 D349 W350 E355 Q356R348-Q352 WeakPolarHBondContact O-CG 3.2Å; R348-Q352 PolarHBondContact O-N 3.3Å; D349-Q352 PolarHBondContact O-N 3.22Å; W350-Q352 VanDerWaalsContact C-N 3.32Å; W350-Q352 PolarHBondContact O-N 3.06Å; Q352-E355 PolarHBondContact O-N 3.19Å; Q352-Q356 WeakPolarHBondContact O-CG 3.31Å; Q352-Q356 PolarHBondContact O-N 3.39Å; Q352-Q356 VanDerWaalsContact O-N 3.12Å
353Q98.4Very high97.4Very high56 Ų5661.6 Ų61.626%0.26230%0.301SS..Hα-helixtrans-63.4-43.2175.8-170.2171.918.800111.7D349 W350 W351 Q356 W357D349-Q353 PolarHBondContact O-N 3.16Å; W350-Q353 HydrophobicContact CE3-CB 4.22Å; W350-Q353 HydrophobicContact CZ3-CG 4.42Å; W350-Q353 WeakPolarHBondContact O-CB 3.4Å; W350-Q353 PolarHBondContact O-N 3.36Å; W350-Q353 VanDerWaalsContact O-N 3.14Å; W351-Q353 VanDerWaalsContact C-N 3.3Å; W351-Q353 PolarHBondContact O-N 2.9Å; Q353-Q356 WeakPolarHBondContact O-CB 3.26Å; Q353-Q356 PolarHBondContact O-N 2.89Å; Q353-W357 HydrophobicContact CG-CH2 3.69Å; Q353-W357 HydrophobicContact CG-CZ2 3.57Å; Q353-W357 HydrophobicContact CG-CZ3 4.2Å; Q353-W357 PolarHBondContact O-N 3.42Å
354I98.7Very high97.5Very high0 Ų067.3 Ų67.30%032%0.323CS..Hα-helixtrans-61.6-45.5176.4-67.2171.4000111.6P236 L255 T269 W350 W351 Q356 W357 R358P236-I354 HydrophobicContact CB-CD1 3.8Å; P236-I354 HydrophobicContact CG-CD1 3.75Å; L255-I354 HydrophobicContact CD1-CG2 4.13Å; L255-I354 HydrophobicContact CD2-CG2 3.55Å; T269-I354 HydrophobicContact CG2-CD1 3.92Å; T269-I354 HydrophobicContact CG2-CG1 4.28Å; W350-I354 HydrophobicContact CD2-CD1 4.06Å; W350-I354 HydrophobicContact CD2-CG1 4.26Å; W350-I354 HydrophobicContact CE3-CG1 4.5Å; W350-I354 HydrophobicContact CG-CD1 4.25Å; W350-I354 HydrophobicContact CZ2-CD1 4.21Å; W350-I354 HydrophobicContact CZ2-CG1 4.39Å; W350-I354 WeakPolarHBondContact O-CG1 3.32Å; W350-I354 PolarHBondContact O-N 3.47Å; W351-I354 HydrophobicContact CE3-CB 4.34Å; W351-I354 HydrophobicContact CE3-CD1 4.24Å; W351-I354 HydrophobicContact CE3-CG2 4.22Å; W351-I354 HydrophobicContact CZ3-CD1 4.39Å; W351-I354 HydrophobicContact CZ3-CG2 4.12Å; W351-I354 PolarHBondContact O-N 3.26Å; I354-Q356 VanDerWaalsContact C-N 3.25Å; I354-Q356 PolarHBondContact O-N 3.05Å; I354-W357 HydrophobicContact CG1-CE3 4.22Å; I354-W357 HydrophobicContact CG1-CZ3 4.05Å; I354-W357 PolarHBondContact O-N 2.87Å; I354-W357 VanDerWaalsContact O-N 3.1Å; I354-R358 PolarHBondContact O-N 2.76Å
355E98.5Very high97.5Very high59 Ų5963.2 Ų63.228%0.27630%0.299SS..Hα-helixtrans-65.3-29.7179.7-63.3-65.7-179.400111.7R252 W351 Q352 R358 A359R252-E355 IonicContact NE-OE1 3.41Å; R252-E355 IonicContact NH2-OE1 3.65Å; W351-E355 VanDerWaalsContact O-CG 3.29Å; W351-E355 WeakPolarHBondContact O-CG 3.26Å; W351-E355 PolarHBondContact O-N 3.14Å; Q352-E355 PolarHBondContact O-N 3.19Å; E355-R358 PolarHBondContact O-N 3.39Å; E355-R358 IonicContact OE1-NH1 3.93Å; E355-R358 PolarHBondContact OE1-NH1 3.43Å; E355-R358 WeakPolarHBondContact OE2-CD 3.44Å; E355-R358 IonicContact OE2-CZ 3.16Å; E355-R358 IonicContact OE2-NE 3.28Å; E355-R358 IonicContact OE2-NH1 3.73Å; E355-R358 PolarHBondContact OE2-NH1 3.44Å; E355-A359 VanDerWaalsContact O-CB 3.26Å; E355-A359 WeakPolarHBondContact O-CB 3.39Å; E355-A359 PolarHBondContact O-N 2.84Å
356Q98.2Very high97.4Very high135 Ų13562.5 Ų62.563%0.63130%0.295SS*.Hα-helixtrans-64.1-41171.6-70.716914.700111.8Q352 Q353 I354Q352-Q356 WeakPolarHBondContact O-CG 3.31Å; Q352-Q356 PolarHBondContact O-N 3.39Å; Q352-Q356 VanDerWaalsContact O-N 3.12Å; Q353-Q356 WeakPolarHBondContact O-CB 3.26Å; Q353-Q356 PolarHBondContact O-N 2.89Å; I354-Q356 VanDerWaalsContact C-N 3.25Å; I354-Q356 PolarHBondContact O-N 3.05Å
357W98.1Very high97.1Very high24 Ų2463.8 Ų63.89%0.09131%0.307CS..Hα-helixtrans-68.2-44.5175.2-60.9-37.6000111.9Y264 E265 M268 N272 W350 Q353 I354 A359 R360Y264-W357 HydrophobicContact CD1-CB 4.08Å; Y264-W357 HydrophobicContact CE1-CB 3.89Å; Y264-W357 AromaticContact CE1-CD1 3.79Å; Y264-W357 HydrophobicContact CE1-CG 4.08Å; E265-W357 HydrophobicContact CB-CB 3.95Å; M268-W357 HydrophobicContact CB-CD2 3.49Å; M268-W357 VanDerWaalsContact CB-CD2 3.49Å; M268-W357 HydrophobicContact CB-CE3 3.61Å; M268-W357 HydrophobicContact CB-CG 3.98Å; M268-W357 HydrophobicContact CB-CH2 4.11Å; M268-W357 HydrophobicContact CB-CZ2 3.99Å; M268-W357 HydrophobicContact CB-CZ3 3.96Å; M268-W357 HydrophobicContact CE-CZ2 4.17Å; M268-W357 HydrophobicContact CG-CD2 4.21Å; M268-W357 HydrophobicContact CG-CG 4.24Å; N272-W357 HydrophobicContact CB-CH2 3.94Å; W350-W357 AromaticContact CH2-CH2 3.75Å; W350-W357 HydrophobicContact CH2-CH2 3.75Å; W350-W357 AromaticContact CH2-CZ3 3.72Å; W350-W357 HydrophobicContact CH2-CZ3 3.72Å; W350-W357 AromaticContact CZ3-CH2 3.57Å; W350-W357 HydrophobicContact CZ3-CH2 3.57Å; W350-W357 AromaticContact CZ3-CZ3 3.78Å; W350-W357 HydrophobicContact CZ3-CZ3 3.78Å; Q353-W357 HydrophobicContact CG-CH2 3.69Å; Q353-W357 HydrophobicContact CG-CZ2 3.57Å; Q353-W357 HydrophobicContact CG-CZ3 4.2Å; Q353-W357 PolarHBondContact O-N 3.42Å; I354-W357 HydrophobicContact CG1-CE3 4.22Å; I354-W357 HydrophobicContact CG1-CZ3 4.05Å; I354-W357 PolarHBondContact O-N 2.87Å; I354-W357 VanDerWaalsContact O-N 3.1Å; W357-A359 VanDerWaalsContact C-N 3.27Å; W357-A359 PolarHBondContact O-N 3.35Å; W357-R360 VanDerWaalsContact O-CB 3.24Å; W357-R360 WeakPolarHBondContact O-CB 3.29Å; W357-R360 PolarHBondContact O-N 2.98Å; W357-R360 VanDerWaalsContact O-N 3.12Å
358R97.6Very high96.9Very high54 Ų5471.6 Ų71.620%0.20434%0.344CS..Hα-helixtrans-61.1-35.4177.1-173-173.9-75.8160.2-15.6112.1R252 A254 L255 E265 I354 E355 R360 Q361R252-R358 PolarHBondContact O-NH1 3.02Å; R252-R358 PolarHBondContact O-NH2 2.9Å; A254-R358 PolarHBondContact O-NH2 3.28Å; L255-R358 VanDerWaalsContact CD2-NH2 3.26Å; E265-R358 HydrophobicContact CB-CB 4.32Å; E265-R358 HydrophobicContact CG-CB 4.35Å; I354-R358 PolarHBondContact O-N 2.76Å; E355-R358 PolarHBondContact O-N 3.39Å; E355-R358 IonicContact OE1-NH1 3.93Å; E355-R358 PolarHBondContact OE1-NH1 3.43Å; E355-R358 WeakPolarHBondContact OE2-CD 3.44Å; E355-R358 IonicContact OE2-CZ 3.16Å; E355-R358 IonicContact OE2-NE 3.28Å; E355-R358 IonicContact OE2-NH1 3.73Å; E355-R358 PolarHBondContact OE2-NH1 3.44Å; R358-R360 PolarHBondContact O-N 3.35Å; R358-R360 VanDerWaalsContact O-N 3.08Å; R358-Q361 PolarHBondContact O-N 2.95Å
359A97.5Very high96.7Very high70 Ų7067.4 Ų67.458%0.57933%0.333SS*.THydrogen-bonded Turntrans-60.9-17.5177.600000113.7E355 W357 Q361E355-A359 VanDerWaalsContact O-CB 3.26Å; E355-A359 WeakPolarHBondContact O-CB 3.39Å; E355-A359 PolarHBondContact O-N 2.84Å; W357-A359 VanDerWaalsContact C-N 3.27Å; W357-A359 PolarHBondContact O-N 3.35Å; A359-Q361 PolarHBondContact O-N 2.93Å
360R95.1Very high96.4Very high87 Ų8772.2 Ų72.233%0.32835%0.353SS..THydrogen-bonded Turntrans-65.5-23.5171.6-160.2175.4-166.7163.73.9112.4Y264 W357 R358 C362 L568 E572Y264-R360 HydrophobicContact CD1-CB 4.28Å; Y264-R360 VanDerWaalsContact CZ-NH1 3.27Å; Y264-R360 PolarHBondContact OH-NH1 3.01Å; W357-R360 VanDerWaalsContact O-CB 3.24Å; W357-R360 WeakPolarHBondContact O-CB 3.29Å; W357-R360 PolarHBondContact O-N 2.98Å; W357-R360 VanDerWaalsContact O-N 3.12Å; R358-R360 PolarHBondContact O-N 3.35Å; R358-R360 VanDerWaalsContact O-N 3.08Å; R360-C362 PolarHBondContact O-N 3.17Å; R360-L568 VanDerWaalsContact NE-CD1 3.25Å; R360-E572 IonicContact CZ-OE1 2.83Å; R360-E572 IonicContact NE-OE1 3.24Å; R360-E572 PolarHBondContact NE-OE1 3.45Å; R360-E572 IonicContact NH2-OE1 2.7Å; R360-E572 PolarHBondContact NH2-OE1 2.81Å
361Q95.9Very high96.3Very high109 Ų10977.9 Ų77.951%0.50938%0.378SS..  trans50.357.8-179-57.1-174.9-83.100111.3R358 A359 L363 K364R358-Q361 PolarHBondContact O-N 2.95Å; A359-Q361 PolarHBondContact O-N 2.93Å; Q361-L363 PolarHBondContact O-N 2.91Å; Q361-K364 HydrophobicContact CB-CD 3.9Å; Q361-K364 HydrophobicContact CB-CG 3.93Å; Q361-K364 WeakPolarHBondContact O-CB 3.48Å; Q361-K364 WeakPolarHBondContact O-CG 3.41Å; Q361-K364 PolarHBondContact O-N 2.78Å
362C96.5Very high96.3Very high16 Ų1677.3 Ų77.311%0.10838%0.375CS..THydrogen-bonded Turntrans-62.3-13.7-168.969.10000114.9Y264 R360 P555Y264-C362 PolarHBondContact N-SG 3.32Å; R360-C362 PolarHBondContact O-N 3.17Å; C362-P555 HydrophobicContact CB-CG 3.96Å
363L97Very high96.3Very high40 Ų4073.1 Ų73.121%0.20936%0.356CS..THydrogen-bonded Turntrans-91.61.6177.3-61.2-176.3000113.5T263 Q361 L404 Y405T263-L363 HydrophobicContact CG2-CD1 4.13Å; T263-L363 HydrophobicContact CG2-CG 4.46Å; Q361-L363 PolarHBondContact O-N 2.91Å; L363-L404 HydrophobicContact CD1-CB 4.48Å; L363-L404 HydrophobicContact CD2-CB 4.4Å; L363-L404 HydrophobicContact CD2-CD1 4.27Å; L363-L404 HydrophobicContact CD2-CD2 4.13Å; L363-Y405 HydrophobicContact CB-CE1 3.96Å; L363-Y405 VanDerWaalsContact O-CE1 3.29Å; L363-Y405 WeakPolarHBondContact O-CE1 3.34Å; L363-Y405 PolarHBondContact O-OH 2.77Å
364K95.9Very high96.3Very high146 Ų14670.6 Ų70.664%0.63534%0.344SS*.  trans-59.1139.9173.6-81.5-177.7176.2171.60111.4Q361Q361-K364 HydrophobicContact CB-CD 3.9Å; Q361-K364 HydrophobicContact CB-CG 3.93Å; Q361-K364 WeakPolarHBondContact O-CB 3.48Å; Q361-K364 WeakPolarHBondContact O-CG 3.41Å; Q361-K364 PolarHBondContact O-N 2.78Å
365Y95.2Very high96.3Very high45 Ų4570.9 Ų70.918%0.17635%0.345CS..  trans-140.2169.8177.563.8-87.5000110T367 K373 Q375 A376 E379 Y405Y365-T367 HydrophobicContact CD2-CG2 4.25Å; Y365-T367 HydrophobicContact CE2-CG2 3.78Å; Y365-T367 PolarHBondContact O-N 3.12Å; Y365-K373 HydrophobicContact CD2-CB 3.87Å; Y365-K373 HydrophobicContact CD2-CG 3.96Å; Y365-K373 HydrophobicContact CE2-CB 3.83Å; Y365-K373 HydrophobicContact CE2-CG 4.23Å; Y365-Q375 HydrophobicContact CD1-CB 3.59Å; Y365-Q375 HydrophobicContact CD1-CG 3.85Å; Y365-Q375 HydrophobicContact CD2-CB 4.13Å; Y365-Q375 HydrophobicContact CE1-CB 3.42Å; Y365-Q375 VanDerWaalsContact CE1-CB 3.42Å; Y365-Q375 HydrophobicContact CE1-CG 4.21Å; Y365-Q375 HydrophobicContact CE2-CB 3.96Å; Y365-Q375 HydrophobicContact CG-CB 3.95Å; Y365-Q375 HydrophobicContact CG-CG 4.02Å; Y365-A376 HydrophobicContact CE2-CB 4.12Å; Y365-A376 WeakPolarHBondContact OH-CA 3.33Å; Y365-A376 WeakPolarHBondContact OH-CB 3.31Å; Y365-A376 PolarHBondContact OH-N 2.85Å; Y365-E379 PolarHBondContact OH-OE2 2.78Å; Y365-Y405 AromaticContact CD1-CE1 3.76Å; Y365-Y405 HydrophobicContact CD1-CE1 3.76Å; Y365-Y405 HydrophobicContact CE1-CD1 4.28Å; Y365-Y405 AromaticContact CE1-CE1 3.82Å; Y365-Y405 HydrophobicContact CE1-CE1 3.82Å
366D94.2Very high96.3Very high79 Ų7969.1 Ų69.142%0.42234%0.341SS..  trans-73.6105.8-179.6171.622.9000111.8H368 S369 K373D366-H368 PolarHBondContact OD1-N 3.17Å; D366-S369 PolarHBondContact OD1-N 2.76Å; D366-S369 WeakPolarHBondContact OD2-CB 3.46Å; D366-K373 VanDerWaalsContact O-CG 3.3Å; D366-K373 WeakPolarHBondContact O-CG 3.45Å
367T93.1Very high96.3Very high94 Ų9462.7 Ų62.758%0.57731%0.311SS*.THydrogen-bonded Turntrans-88.4-0.1178.555.40000114Y365Y365-T367 HydrophobicContact CD2-CG2 4.25Å; Y365-T367 HydrophobicContact CE2-CG2 3.78Å; Y365-T367 PolarHBondContact O-N 3.12Å
368H93.3Very high96.3Very high170 Ų17061.6 Ų61.679%0.78731%0.306SS*.THydrogen-bonded Turntrans-104.30.1-177.7-61.7-61.1000113.3D366D366-H368 PolarHBondContact OD1-N 3.17Å
369S92.8Very high96.4Very high32 Ų3262.6 Ų62.622%0.22431%0.313CS..  trans-62.1142.7177.6-161.90000112.6D366 K371D366-S369 PolarHBondContact OD1-N 2.76Å; D366-S369 WeakPolarHBondContact OD2-CB 3.46Å; S369-K371 PolarHBondContact O-N 3.45Å; S369-K371 PolarHBondContact OG-N 3.04Å
370E93.8Very high96.4Very high178 Ų17859.7 Ų59.783%0.83229%0.289SS*.SBendtrans-70.6-21.7169.6-63.5-172.4151.100112.4P521E370-P521 WeakPolarHBondContact O-CD 3.39Å; E370-P521 WeakPolarHBondContact O-CG 3.39Å
371K96.4Very high96.6Very high123 Ų12355.6 Ų55.654%0.53527%0.273SS..SBendtrans-86.7143.6174.2-64.6-177.2-179.2177.60110.1S369 K373 D548S369-K371 PolarHBondContact O-N 3.45Å; S369-K371 PolarHBondContact OG-N 3.04Å; K371-K373 PolarHBondContact O-N 3.41Å; K371-D548 HydrophobicContact CB-CB 3.94Å; K371-D548 HydrophobicContact CD-CB 4.12Å; K371-D548 IonicContact NZ-OD1 2.76Å
372I98.2Very high96.7Very high2 Ų254.4 Ų54.41%0.0126%0.264CS..BIsolated β-bridgetrans-65.3123.4174.1-64.2170.9000109.6V377 I518 P521 L524 V545 V547 D548I372-V377 HydrophobicContact CG2-CG2 3.52Å; I372-I518 HydrophobicContact CD1-CG2 3.71Å; I372-P521 HydrophobicContact CG1-CG 4.07Å; I372-L524 HydrophobicContact CD1-CD2 4.2Å; I372-L524 HydrophobicContact CD1-CG 4.33Å; I372-L524 HydrophobicContact CG1-CD1 4.39Å; I372-L524 HydrophobicContact CG1-CG 4.48Å; I372-L524 HydrophobicContact CG2-CD1 4.02Å; I372-L524 HydrophobicContact CG2-CD2 4.04Å; I372-L524 HydrophobicContact CG2-CG 4.45Å; I372-V545 HydrophobicContact CD1-CG1 3.83Å; I372-V545 HydrophobicContact CG2-CG1 3.9Å; I372-V547 HydrophobicContact CB-CG1 4.48Å; I372-V547 HydrophobicContact CG2-CG1 3.91Å; I372-V547 CarbonylContact O-C 3.54Å; I372-V547 WeakPolarHBondContact O-CA 3.43Å; I372-D548 PolarHBondContact O-N 2.92Å
373K98.1Very high96.8Very high17 Ų1759.5 Ų59.57%0.07428%0.281CS..PPolyproline II helixtrans-81.1130.1169.7-63.6-59.9-177.4-179.80109.7Y365 D366 K371 Q375 A376 V377 D548 E551Y365-K373 HydrophobicContact CD2-CB 3.87Å; Y365-K373 HydrophobicContact CD2-CG 3.96Å; Y365-K373 HydrophobicContact CE2-CB 3.83Å; Y365-K373 HydrophobicContact CE2-CG 4.23Å; D366-K373 VanDerWaalsContact O-CG 3.3Å; D366-K373 WeakPolarHBondContact O-CG 3.45Å; K371-K373 PolarHBondContact O-N 3.41Å; K373-Q375 PolarHBondContact O-N 2.95Å; K373-A376 HydrophobicContact CB-CB 4.35Å; K373-A376 WeakPolarHBondContact O-CB 3.33Å; K373-A376 PolarHBondContact O-N 2.69Å; K373-V377 PolarHBondContact O-N 3.28Å; K373-D548 HydrophobicContact CD-CB 4.37Å; K373-D548 IonicContact NZ-OD2 2.8Å; K373-D548 PolarHBondContact NZ-OD2 3.05Å; K373-E551 HydrophobicContact CD-CG 4.16Å; K373-E551 WeakPolarHBondContact CD-OE1 3.29Å; K373-E551 WeakPolarHBondContact CE-OE1 3.3Å; K373-E551 IonicContact NZ-OE1 2.75Å; K373-E551 PolarHBondContact NZ-OE1 3.02Å
374P98.3Very high96.9Very high3 Ų359.8 Ų59.82%0.01928%0.282CS..Hα-helixtrans-58.2-33.9179.623.2-32.4000112.4A376 V377 I378 F401 L473 V547 E551P374-A376 VanDerWaalsContact C-N 3.34Å; P374-A376 PolarHBondContact O-N 2.98Å; P374-V377 WeakPolarHBondContact O-CB 3.25Å; P374-V377 PolarHBondContact O-N 3.42Å; P374-I378 PolarHBondContact O-N 3.5Å; P374-F401 HydrophobicContact CB-CD2 3.6Å; P374-F401 HydrophobicContact CB-CE2 3.75Å; P374-F401 HydrophobicContact CB-CG 4.24Å; P374-F401 HydrophobicContact CB-CZ 4.5Å; P374-F401 HydrophobicContact CG-CD2 3.72Å; P374-F401 HydrophobicContact CG-CE1 4.34Å; P374-F401 HydrophobicContact CG-CE2 3.34Å; P374-F401 HydrophobicContact CG-CG 4.37Å; P374-F401 HydrophobicContact CG-CZ 3.7Å; P374-L473 HydrophobicContact CB-CD1 3.88Å; P374-V547 HydrophobicContact CB-CB 4.42Å; P374-V547 HydrophobicContact CB-CG1 4.38Å; P374-V547 HydrophobicContact CB-CG2 4.47Å; P374-E551 HydrophobicContact CG-CB 4.23Å; P374-E551 HydrophobicContact CG-CG 4.24Å
375Q98.3Very high97Very high6 Ų653.7 Ų53.73%0.02826%0.258CS..Hα-helixtrans-55.2-46.8173.9-57.587.5-21.900111.8Y365 K373 V377 I378 E379 F401 Y405 E551Y365-Q375 HydrophobicContact CD1-CB 3.59Å; Y365-Q375 HydrophobicContact CD1-CG 3.85Å; Y365-Q375 HydrophobicContact CD2-CB 4.13Å; Y365-Q375 HydrophobicContact CE1-CB 3.42Å; Y365-Q375 VanDerWaalsContact CE1-CB 3.42Å; Y365-Q375 HydrophobicContact CE1-CG 4.21Å; Y365-Q375 HydrophobicContact CE2-CB 3.96Å; Y365-Q375 HydrophobicContact CG-CB 3.95Å; Y365-Q375 HydrophobicContact CG-CG 4.02Å; K373-Q375 PolarHBondContact O-N 2.95Å; Q375-V377 VanDerWaalsContact C-N 3.27Å; Q375-V377 PolarHBondContact O-N 3.37Å; Q375-I378 PolarHBondContact O-N 3.48Å; Q375-I378 VanDerWaalsContact O-N 3.14Å; Q375-E379 PolarHBondContact O-N 2.82Å; Q375-F401 HydrophobicContact CG-CD1 4.05Å; Q375-F401 HydrophobicContact CG-CE1 4.21Å; Q375-Y405 HydrophobicContact CB-CD1 3.91Å; Q375-Y405 HydrophobicContact CB-CD2 4.2Å; Q375-Y405 HydrophobicContact CB-CE1 3.79Å; Q375-Y405 HydrophobicContact CB-CE2 4.11Å; Q375-Y405 HydrophobicContact CB-CG 4.11Å; Q375-Y405 HydrophobicContact CG-CD1 4.28Å; Q375-Y405 HydrophobicContact CG-CD2 3.96Å; Q375-Y405 HydrophobicContact CG-CE1 3.79Å; Q375-Y405 HydrophobicContact CG-CE2 3.44Å; Q375-Y405 VanDerWaalsContact CG-CE2 3.44Å; Q375-Y405 HydrophobicContact CG-CG 4.36Å; Q375-E551 PolarHBondContact NE2-OE2 2.7Å; Q375-E551 VanDerWaalsContact NE2-OE2 3.09Å
376A98.4Very high97.1Very high21 Ų2160.4 Ų60.417%0.17429%0.288CS..Hα-helixtrans-63.8-32.3-179.100000112.7Y365 K373 P374 T380 L524Y365-A376 HydrophobicContact CE2-CB 4.12Å; Y365-A376 WeakPolarHBondContact OH-CA 3.33Å; Y365-A376 WeakPolarHBondContact OH-CB 3.31Å; Y365-A376 PolarHBondContact OH-N 2.85Å; K373-A376 HydrophobicContact CB-CB 4.35Å; K373-A376 WeakPolarHBondContact O-CB 3.33Å; K373-A376 PolarHBondContact O-N 2.69Å; P374-A376 VanDerWaalsContact C-N 3.34Å; P374-A376 PolarHBondContact O-N 2.98Å; A376-T380 VanDerWaalsContact O-CB 3.29Å; A376-T380 WeakPolarHBondContact O-CB 3.34Å; A376-T380 PolarHBondContact O-N 2.8Å; A376-T380 PolarHBondContact O-OG1 3.01Å; A376-L524 HydrophobicContact CB-CD1 4.46Å
377V98.8Very high97.3Very high0 Ų057 Ų570%027%0.272CS..Hα-helixtrans-63.1-47.4175-170.20000110I372 K373 P374 Q375 T380 L381 V471 L473 L524 L528 V545 V547I372-V377 HydrophobicContact CG2-CG2 3.52Å; K373-V377 PolarHBondContact O-N 3.28Å; P374-V377 WeakPolarHBondContact O-CB 3.25Å; P374-V377 PolarHBondContact O-N 3.42Å; Q375-V377 VanDerWaalsContact C-N 3.27Å; Q375-V377 PolarHBondContact O-N 3.37Å; V377-T380 PolarHBondContact O-N 3.45Å; V377-L381 HydrophobicContact CG1-CD1 4.49Å; V377-L381 WeakPolarHBondContact O-CG 3.15Å; V377-L381 PolarHBondContact O-N 2.95Å; V377-V471 HydrophobicContact CG1-CG1 3.95Å; V377-L473 HydrophobicContact CB-CD2 3.95Å; V377-L473 HydrophobicContact CG1-CD2 3.78Å; V377-L473 HydrophobicContact CG2-CD2 4.02Å; V377-L524 HydrophobicContact CG1-CD2 4.48Å; V377-L524 HydrophobicContact CG2-CD2 3.89Å; V377-L528 HydrophobicContact CG1-CD1 4.31Å; V377-V545 HydrophobicContact CG1-CG2 4.32Å; V377-V545 HydrophobicContact CG2-CG1 3.88Å; V377-V547 HydrophobicContact CG2-CG1 4.2Å
378I98.8Very high97.5Very high1 Ų155.4 Ų55.41%0.00526%0.259CS..Hα-helixtrans-65.6-45.8-179.2-55.5-51.7000111.5P374 Q375 T380 L381 W382 F401 A402 Y405 Y406 V445 L473P374-I378 PolarHBondContact O-N 3.5Å; Q375-I378 PolarHBondContact O-N 3.48Å; Q375-I378 VanDerWaalsContact O-N 3.14Å; I378-T380 VanDerWaalsContact C-N 3.26Å; I378-T380 PolarHBondContact O-N 3.5Å; I378-L381 HydrophobicContact CD1-CD1 4.36Å; I378-L381 WeakPolarHBondContact O-CB 3.39Å; I378-L381 PolarHBondContact O-N 2.96Å; I378-W382 PolarHBondContact O-N 2.83Å; I378-F401 HydrophobicContact CG1-CB 4.19Å; I378-A402 HydrophobicContact CD1-CB 4.38Å; I378-Y405 VanDerWaalsContact CG2-C 3.49Å; I378-Y406 HydrophobicContact CG2-CD2 4.4Å; I378-V445 HydrophobicContact CD1-CG1 3.71Å; I378-V445 HydrophobicContact CD1-CG2 4.03Å; I378-L473 HydrophobicContact CD1-CD1 4.26Å
379E98.5Very high97.8Very high75 Ų7547.3 Ų47.335%0.3522%0.222SC..Hα-helixtrans-62.2-36.1177.2-69.2-179.615100111.8Y365 Q375 W382 R383 Y405Y365-E379 PolarHBondContact OH-OE2 2.78Å; Q375-E379 PolarHBondContact O-N 2.82Å; E379-W382 PolarHBondContact O-N 2.89Å; E379-R383 PolarHBondContact O-N 2.77Å; E379-Y405 HydrophobicContact CG-CD1 4.1Å
380T98.7Very high98.1Very high9 Ų946.5 Ų46.56%0.05521%0.214CC..Hα-helixtrans-66.6-44.7175.1-57.90000110.9A376 V377 I378 W382 R383 L384 E525 L528A376-T380 VanDerWaalsContact O-CB 3.29Å; A376-T380 WeakPolarHBondContact O-CB 3.34Å; A376-T380 PolarHBondContact O-N 2.8Å; A376-T380 PolarHBondContact O-OG1 3.01Å; V377-T380 PolarHBondContact O-N 3.45Å; I378-T380 VanDerWaalsContact C-N 3.26Å; I378-T380 PolarHBondContact O-N 3.5Å; T380-W382 PolarHBondContact O-N 3.48Å; T380-R383 PolarHBondContact O-N 2.96Å; T380-L384 HydrophobicContact CG2-CD1 3.84Å; T380-L384 HydrophobicContact CG2-CG 4.28Å; T380-L384 WeakPolarHBondContact O-CB 3.41Å; T380-L384 VanDerWaalsContact O-CG 3.3Å; T380-L384 WeakPolarHBondContact O-CG 3.33Å; T380-L384 PolarHBondContact O-N 3.4Å; T380-E525 HydrophobicContact CG2-CB 4.25Å; T380-L528 HydrophobicContact CG2-CD1 3.78Å
381L98.7Very high98.3Very high1 Ų138.1 Ų38.11%0.00518%0.175CC..Hα-helixtrans-58.3-46.5173.4-73.9170.1000111.7V377 I378 R383 L384 T385 V443 V445 L469 V471 L528V377-L381 HydrophobicContact CG1-CD1 4.49Å; V377-L381 WeakPolarHBondContact O-CG 3.15Å; V377-L381 PolarHBondContact O-N 2.95Å; I378-L381 HydrophobicContact CD1-CD1 4.36Å; I378-L381 WeakPolarHBondContact O-CB 3.39Å; I378-L381 PolarHBondContact O-N 2.96Å; L381-R383 VanDerWaalsContact C-N 3.34Å; L381-R383 PolarHBondContact O-N 3Å; L381-L384 PolarHBondContact O-N 3.29Å; L381-T385 WeakPolarHBondContact O-CB 3.45Å; L381-T385 WeakPolarHBondContact O-CG2 3.09Å; L381-T385 PolarHBondContact O-N 2.82Å; L381-T385 PolarHBondContact O-OG1 2.91Å; L381-V443 HydrophobicContact CD1-CG1 4.24Å; L381-V443 HydrophobicContact CD2-CG1 4.41Å; L381-V445 HydrophobicContact CD1-CG2 4.19Å; L381-L469 HydrophobicContact CD2-CD2 3.94Å; L381-V471 HydrophobicContact CD1-CB 4.36Å; L381-V471 HydrophobicContact CD1-CG1 4.3Å; L381-V471 HydrophobicContact CD1-CG2 4.02Å; L381-V471 HydrophobicContact CD2-CG2 4.13Å; L381-L528 HydrophobicContact CD2-CD1 4.27Å; L381-L528 HydrophobicContact CD2-CD2 4.08Å; L381-L528 HydrophobicContact CG-CD1 4.31Å
382W98.6Very high98.4Very high85 Ų8532.3 Ų32.332%0.32215%0.15SC..Hα-helixtrans-56.9-47.3177.3177.680.1000111.7T250 I378 E379 T380 T385 K386 G387 Y406 P407T250-W382 HydrophobicContact CG2-CZ2 4.18Å; I378-W382 PolarHBondContact O-N 2.83Å; E379-W382 PolarHBondContact O-N 2.89Å; T380-W382 PolarHBondContact O-N 3.48Å; W382-T385 PolarHBondContact O-OG1 3.08Å; W382-K386 CarbonylContact O-C 3.55Å; W382-K386 WeakPolarHBondContact O-CA 3.41Å; W382-K386 PolarHBondContact O-N 2.7Å; W382-G387 VanDerWaalsContact CD1-CA 3.46Å; W382-G387 PolarHBondContact O-N 3.27Å; W382-Y406 HydrophobicContact CB-CD2 3.64Å; W382-Y406 HydrophobicContact CB-CE2 3.81Å; W382-Y406 HydrophobicContact CB-CG 4.15Å; W382-Y406 AromaticContact CD1-CD1 3.81Å; W382-Y406 AromaticContact CD1-CE1 3.8Å; W382-Y406 AromaticContact CD1-CG 3.99Å; W382-Y406 AromaticContact CD1-CZ 3.98Å; W382-Y406 HydrophobicContact CG-CD2 4.35Å; W382-Y406 HydrophobicContact CG-CE2 4.42Å; W382-Y406 HydrophobicContact CG-CG 4.48Å; W382-P407 HydrophobicContact CD2-CG 4.48Å; W382-P407 HydrophobicContact CZ2-CB 4.44Å; W382-P407 HydrophobicContact CZ2-CG 4.36Å; W382-P407 PolarHBondContact NE1-O 3.15Å; W382-P407 VanDerWaalsContact NE1-O 3.11Å
383R98.4Very high98.4Very high122 Ų12232.2 Ų32.246%0.4615%0.149SC..Hα-helixtrans-62.1-49178.2-162.1-163.3-39154.89.7112.3E379 T380 L381 T385 K386 E525E379-R383 PolarHBondContact O-N 2.77Å; T380-R383 PolarHBondContact O-N 2.96Å; L381-R383 VanDerWaalsContact C-N 3.34Å; L381-R383 PolarHBondContact O-N 3Å; R383-T385 VanDerWaalsContact C-N 3.33Å; R383-T385 PolarHBondContact O-N 3Å; R383-K386 PolarHBondContact O-N 2.8Å; R383-E525 IonicContact CZ-OE2 3.59Å; R383-E525 IonicContact NH1-OE1 2.75Å; R383-E525 PolarHBondContact NH1-OE1 3.38Å; R383-E525 IonicContact NH1-OE2 3.95Å; R383-E525 PolarHBondContact NH1-OE2 3.17Å
384L98.6Very high98.4Very high46 Ų4631.4 Ų31.424%0.24115%0.146CC..Hα-helixtrans-67.9-33.2-176.7-69175.7000112.6T380 L381 E525 L528 L532T380-L384 HydrophobicContact CG2-CD1 3.84Å; T380-L384 HydrophobicContact CG2-CG 4.28Å; T380-L384 WeakPolarHBondContact O-CB 3.41Å; T380-L384 VanDerWaalsContact O-CG 3.3Å; T380-L384 WeakPolarHBondContact O-CG 3.33Å; T380-L384 PolarHBondContact O-N 3.4Å; L381-L384 PolarHBondContact O-N 3.29Å; L384-E525 HydrophobicContact CD2-CG 4.37Å; L384-L528 HydrophobicContact CD1-CB 3.59Å; L384-L532 HydrophobicContact CB-CD1 3.59Å; L384-L532 HydrophobicContact CD1-CD1 4.23Å
385T98.4Very high98.5Very high18 Ų1832.7 Ų32.711%0.1115%0.154CC..THydrogen-bonded Turntrans-910.6176.260.10000113.3L381 W382 R383 G387 D388 A389 Y406 T441 V443 L532L381-T385 WeakPolarHBondContact O-CB 3.45Å; L381-T385 WeakPolarHBondContact O-CG2 3.09Å; L381-T385 PolarHBondContact O-N 2.82Å; L381-T385 PolarHBondContact O-OG1 2.91Å; W382-T385 PolarHBondContact O-OG1 3.08Å; R383-T385 VanDerWaalsContact C-N 3.33Å; R383-T385 PolarHBondContact O-N 3Å; T385-G387 PolarHBondContact O-N 2.84Å; T385-G387 VanDerWaalsContact O-N 3.16Å; T385-D388 PolarHBondContact O-N 2.86Å; T385-D388 VanDerWaalsContact O-N 3.11Å; T385-A389 HydrophobicContact CG2-CB 3.93Å; T385-Y406 PolarHBondContact OG1-OH 3.41Å; T385-T441 HydrophobicContact CG2-CG2 4.33Å; T385-V443 HydrophobicContact CG2-CG2 4.36Å; T385-L532 HydrophobicContact CG2-CD1 4.16Å; T385-L532 HydrophobicContact CG2-CD2 4.11Å
386K97.7Very high98.4Very high187 Ų18732.9 Ų32.981%0.81316%0.157SC*.THydrogen-bonded Turntrans53.529.9-176.4-53176.1-176.8176.10113.3W382 R383 D388W382-K386 CarbonylContact O-C 3.55Å; W382-K386 WeakPolarHBondContact O-CA 3.41Å; W382-K386 PolarHBondContact O-N 2.7Å; R383-K386 PolarHBondContact O-N 2.8Å; K386-D388 PolarHBondContact O-N 3.35Å
387G97.4Very high98.4Very high8 Ų832.3 Ų32.38%0.08215%0.151CC..THydrogen-bonded Turntrans68.310.3-178.100000115.9W382 T385 Y406W382-G387 VanDerWaalsContact CD1-CA 3.46Å; W382-G387 PolarHBondContact O-N 3.27Å; T385-G387 PolarHBondContact O-N 2.84Å; T385-G387 VanDerWaalsContact O-N 3.16Å; G387-Y406 VanDerWaalsContact C-OH 3.26Å; G387-Y406 VanDerWaalsContact CA-OH 3.3Å; G387-Y406 WeakPolarHBondContact CA-OH 3.49Å
388D97.7Very high98.4Very high59 Ų5933 Ų3332%0.31615%0.154SC..  trans-103-4.6-172.3-1538.8000114.6T385 K386 Y406 K410 R413T385-D388 PolarHBondContact O-N 2.86Å; T385-D388 VanDerWaalsContact O-N 3.11Å; K386-D388 PolarHBondContact O-N 3.35Å; D388-Y406 PolarHBondContact N-OH 3.34Å; D388-K410 WeakPolarHBondContact OD1-CD 3.24Å; D388-K410 WeakPolarHBondContact OD1-CE 3.44Å; D388-K410 IonicContact OD1-NZ 3.79Å; D388-K410 PolarHBondContact OD1-NZ 3.36Å; D388-K410 IonicContact OD2-NZ 3.19Å; D388-K410 PolarHBondContact OD2-NZ 2.97Å; D388-R413 PolarHBondContact O-NE 3.18Å; D388-R413 IonicContact OD1-CZ 3.77Å; D388-R413 IonicContact OD1-NE 3.59Å; D388-R413 PolarHBondContact OD1-NE 2.79Å; D388-R413 IonicContact OD1-NH2 3.68Å
389A98.6Very high98.4Very high1 Ų133.6 Ų33.61%0.00816%0.157CC..SBendtrans-68.6148.2-179.300000111.9T385 V391 Y406 T441 V443T385-A389 HydrophobicContact CG2-CB 3.93Å; A389-V391 HydrophobicContact CB-CG2 4.44Å; A389-V391 PolarHBondContact O-N 3.36Å; A389-Y406 PolarHBondContact N-OH 3.47Å; A389-T441 WeakPolarHBondContact CA-O 3.46Å; A389-T441 HydrophobicContact CB-CG2 4.03Å; A389-V443 HydrophobicContact CB-CG2 4.01Å
390Y98.9Very high98.4Very high15 Ų1530.9 Ų30.96%0.05914%0.144CC..EExtended strand (participates in β ladder)trans-74.3114.7159.7-71.9-99.4000107.8A64 R412 R413 I415 V433 L437 E440 T441 V442 V443A64-Y390 HydrophobicContact CB-CD1 4.29Å; A64-Y390 HydrophobicContact CB-CE1 4.06Å; Y390-R412 WeakPolarHBondContact CD1-O 3.1Å; Y390-R412 VanDerWaalsContact CE1-O 3.27Å; Y390-R412 WeakPolarHBondContact CE1-O 3.22Å; Y390-R413 PolarHBondContact OH-NH1 2.97Å; Y390-I415 HydrophobicContact CD1-CD1 4.12Å; Y390-V433 HydrophobicContact CD1-CG1 3.92Å; Y390-V433 HydrophobicContact CD2-CG1 4.43Å; Y390-V433 HydrophobicContact CG-CG1 3.81Å; Y390-L437 HydrophobicContact CD1-CD1 4.49Å; Y390-L437 HydrophobicContact CD2-CD1 4.45Å; Y390-L437 HydrophobicContact CE1-CD1 3.76Å; Y390-L437 HydrophobicContact CE2-CD1 3.71Å; Y390-L437 VanDerWaalsContact OH-CD1 3.25Å; Y390-L437 WeakPolarHBondContact OH-CD1 3.45Å; Y390-E440 HydrophobicContact CD2-CB 3.87Å; Y390-E440 HydrophobicContact CD2-CG 4.29Å; Y390-E440 HydrophobicContact CE2-CB 3.82Å; Y390-E440 HydrophobicContact CE2-CG 3.71Å; Y390-T441 PolarHBondContact N-O 3.15Å; Y390-V442 CarbonylContact O-C 3.57Å; Y390-V442 WeakPolarHBondContact O-CA 3.03Å; Y390-V443 PolarHBondContact O-N 2.74Å
391V98.9Very high98.4Very high2 Ų230.8 Ų30.81%0.01214%0.143CC..EExtended strand (participates in β ladder)trans-103.3115.4178.8-173.50000108.3A389 Y406 F408 R413 W414 I415 V443 V445A389-V391 HydrophobicContact CB-CG2 4.44Å; A389-V391 PolarHBondContact O-N 3.36Å; V391-Y406 HydrophobicContact CG2-CD1 4.2Å; V391-Y406 HydrophobicContact CG2-CD2 4.12Å; V391-Y406 HydrophobicContact CG2-CE1 3.94Å; V391-Y406 HydrophobicContact CG2-CE2 3.85Å; V391-Y406 HydrophobicContact CG2-CG 4.29Å; V391-F408 HydrophobicContact CB-CE1 3.8Å; V391-F408 HydrophobicContact CB-CZ 3.99Å; V391-F408 HydrophobicContact CG1-CZ 4.48Å; V391-F408 HydrophobicContact CG2-CE1 3.78Å; V391-F408 HydrophobicContact CG2-CZ 4.21Å; V391-R413 PolarHBondContact N-O 2.84Å; V391-W414 HydrophobicContact CB-CE3 4.16Å; V391-W414 HydrophobicContact CB-CZ3 4.41Å; V391-W414 HydrophobicContact CG1-CE3 4.08Å; V391-W414 HydrophobicContact CG1-CZ3 3.82Å; V391-I415 PolarHBondContact O-N 3.29Å; V391-V443 CarbonylContact C-O 3.56Å; V391-V443 VanDerWaalsContact CA-O 3.29Å; V391-V443 WeakPolarHBondContact CA-O 3.39Å; V391-V445 HydrophobicContact CG1-CG2 3.93Å
392T98.9Very high98.4Very high0 Ų030.8 Ų30.80%014%0.143CC..EExtended strand (participates in β ladder)trans-95.3153.6166.6770000110.5I415 G426 A429 A430 V433 V443 C444 V445T392-I415 CarbonylContact C-O 3.58Å; T392-I415 WeakPolarHBondContact CA-O 3.35Å; T392-I415 HydrophobicContact CG2-CB 4.01Å; T392-I415 HydrophobicContact CG2-CG2 3.97Å; T392-G426 WeakPolarHBondContact CB-O 3.48Å; T392-G426 PolarHBondContact OG1-O 3.31Å; T392-A429 HydrophobicContact CG2-CB 4.14Å; T392-A430 HydrophobicContact CG2-CB 3.82Å; T392-A430 WeakPolarHBondContact OG1-CB 3.49Å; T392-V433 HydrophobicContact CG2-CG2 4.26Å; T392-V443 PolarHBondContact N-O 3.13Å; T392-C444 WeakPolarHBondContact OG1-CA 3.38Å; T392-C444 WeakPolarHBondContact OG1-CB 3.29Å; T392-V445 PolarHBondContact O-N 3.45Å
393S98.8Very high98.4Very high0 Ų027.1 Ų27.10%013%0.131CC..EExtended strand (participates in β ladder)trans-144.6147.8172.9-1630000113.3H398 Q399 I415 F425 V445S393-H398 PolarHBondContact OG-CD2 2.9Å; S393-Q399 WeakPolarHBondContact OG-CA 3.34Å; S393-I415 PolarHBondContact N-O 3.07Å; S393-F425 WeakPolarHBondContact O-CD1 3.41Å; S393-V445 VanDerWaalsContact CA-O 3.26Å; S393-V445 WeakPolarHBondContact CA-O 3.37Å; S393-V445 WeakPolarHBondContact CB-O 3.45Å; S393-V445 PolarHBondContact OG-O 3.39Å
394D98.1Very high98.4Very high1 Ų122.2 Ų22.21%0.00511%0.114CC..  trans-73-158.4163.4-85.9-51.9000111.2H398 Q399 G424 F425 G426 V445 T446 S450D394-H398 VanDerWaalsContact C-NE2 3.34Å; D394-H398 WeakPolarHBondContact CB-NE2 3.45Å; D394-Q399 VanDerWaalsContact O-CB 3.31Å; D394-Q399 WeakPolarHBondContact O-CB 3.34Å; D394-Q399 VanDerWaalsContact O-CG 3.26Å; D394-Q399 WeakPolarHBondContact O-CG 3.32Å; D394-G424 WeakPolarHBondContact OD1-CA 3.27Å; D394-G424 PolarHBondContact OD1-N 2.94Å; D394-F425 PolarHBondContact OD1-N 3.39Å; D394-G426 PolarHBondContact OD1-N 3.04Å; D394-V445 PolarHBondContact N-O 3.15Å; D394-T446 VanDerWaalsContact OD2-CB 3.32Å; D394-T446 WeakPolarHBondContact OD2-CB 3.45Å; D394-T446 PolarHBondContact OD2-OG1 3.17Å; D394-S450 VanDerWaalsContact CB-CB 3.41Å; D394-S450 VanDerWaalsContact CG-CB 3.48Å
395V98.5Very high98.4Very high30 Ų3020.7 Ų20.718%0.18211%0.105CC..SBendtrans-120.9132.8-174.51780000110.7H398 G421 T422 M423 S450V395-H398 PolarHBondContact N-NE2 3Å; V395-H398 PolarHBondContact O-CE1 3.15Å; V395-G421 VanDerWaalsContact CG2-C 3.5Å; V395-T422 WeakPolarHBondContact CG2-O 3.46Å; V395-M423 HydrophobicContact CB-CG 4.01Å; V395-S450 PolarHBondContact O-OG 3.41Å
396G97.8Very high98.4Very high9 Ų920.1 Ų20.19%0.09310%0.101CC..SBendtrans144.3-154.3178.900000112.8Q399 M400G396-Q399 WeakPolarHBondContact O-CB 3.32Å; G396-Q399 PolarHBondContact O-N 2.9Å; G396-M400 PolarHBondContact O-N 2.87Å
397Q98.3Very high98.5Very high9 Ų913.1 Ų13.14%0.0427%0.074CC..Hα-helixtrans-66.4-39.6177.9-65.2-179.8-52.900112Q399 M400 F401 N475 G479 M480 E551 V553Q397-Q399 PolarHBondContact O-N 3.46Å; Q397-M400 PolarHBondContact O-N 3.24Å; Q397-F401 HydrophobicContact CB-CD2 4.17Å; Q397-F401 HydrophobicContact CB-CE2 3.69Å; Q397-F401 HydrophobicContact CB-CZ 4.35Å; Q397-F401 WeakPolarHBondContact O-CD2 3.17Å; Q397-F401 WeakPolarHBondContact O-CG 3.36Å; Q397-F401 PolarHBondContact O-N 3.28Å; Q397-N475 PolarHBondContact OE1-ND2 3.5Å; Q397-G479 PolarHBondContact NE2-O 2.87Å; Q397-M480 HydrophobicContact CG-CB 4.26Å; Q397-M480 HydrophobicContact CG-CE 4.25Å; Q397-E551 PolarHBondContact NE2-O 2.94Å; Q397-V553 HydrophobicContact CB-CG2 3.69Å; Q397-V553 HydrophobicContact CG-CG2 3.74Å
398H98.6Very high98.5Very high16 Ų1612.9 Ų12.97%0.0747%0.071CC..Hα-helixtrans-57.7-36.5177.558.7-92.8000112.5S393 D394 V395 F401 A402 V445 G447 L473S393-H398 PolarHBondContact OG-CD2 2.9Å; D394-H398 VanDerWaalsContact C-NE2 3.34Å; D394-H398 WeakPolarHBondContact CB-NE2 3.45Å; V395-H398 PolarHBondContact N-NE2 3Å; V395-H398 PolarHBondContact O-CE1 3.15Å; H398-F401 PolarHBondContact O-N 3.02Å; H398-A402 WeakPolarHBondContact O-CB 3.34Å; H398-A402 PolarHBondContact O-N 3.02Å; H398-V445 HydrophobicContact CB-CG1 4.28Å; H398-V445 PolarHBondContact CD2-O 3.44Å; H398-G447 PolarHBondContact CE1-N 2.97Å; H398-G447 PolarHBondContact ND1-N 3.48Å; H398-L473 HydrophobicContact CB-CB 4.25Å; H398-L473 HydrophobicContact CB-CD1 3.77Å; H398-L473 HydrophobicContact CB-CG 4.25Å
399Q98.8Very high98.5Very high13 Ų1312.6 Ų12.66%0.0617%0.07CC..Hα-helixtrans-61-45.6174.3-172-170.118.500111.4S393 D394 G396 Q397 A402 A403 W414 N416 S417S393-Q399 WeakPolarHBondContact OG-CA 3.34Å; D394-Q399 VanDerWaalsContact O-CB 3.31Å; D394-Q399 WeakPolarHBondContact O-CB 3.34Å; D394-Q399 VanDerWaalsContact O-CG 3.26Å; D394-Q399 WeakPolarHBondContact O-CG 3.32Å; G396-Q399 WeakPolarHBondContact O-CB 3.32Å; G396-Q399 PolarHBondContact O-N 2.9Å; Q397-Q399 PolarHBondContact O-N 3.46Å; Q399-A402 PolarHBondContact O-N 3.2Å; Q399-A403 WeakPolarHBondContact O-CB 3.18Å; Q399-A403 PolarHBondContact O-N 3.32Å; Q399-W414 HydrophobicContact CG-CH2 4.27Å; Q399-W414 HydrophobicContact CG-CZ2 4.01Å; Q399-N416 PolarHBondContact NE2-OD1 2.84Å; Q399-S417 PolarHBondContact NE2-O 2.87Å
400M98.7Very high98.5Very high18 Ų1816.9 Ų16.99%0.0899%0.088CC..Hα-helixtrans-71-38.2178.7-60.2-62.292.800111.6L241 M257 H261 G396 Q397 A403 L404 M480 V553L241-M400 HydrophobicContact CD1-CE 4.03Å; L241-M400 HydrophobicContact CD2-CE 3.96Å; M257-M400 HydrophobicContact CE-SD 4.29Å; H261-M400 HydrophobicContact CB-CG 4.34Å; H261-M400 HydrophobicContact CB-SD 4.02Å; G396-M400 PolarHBondContact O-N 2.87Å; Q397-M400 PolarHBondContact O-N 3.24Å; M400-A403 PolarHBondContact O-N 3.3Å; M400-L404 VanDerWaalsContact O-CB 3.3Å; M400-L404 WeakPolarHBondContact O-CB 3.37Å; M400-L404 VanDerWaalsContact O-CG 3.27Å; M400-L404 WeakPolarHBondContact O-CG 3.37Å; M400-L404 PolarHBondContact O-N 2.67Å; M400-M480 HydrophobicContact CG-CE 3.99Å; M400-V553 HydrophobicContact CB-CB 4.42Å; M400-V553 HydrophobicContact CB-CG1 3.57Å; M400-V553 HydrophobicContact CB-CG2 4.01Å; M400-V553 HydrophobicContact CG-CG1 4.18Å
401F98.7Very high98.5Very high6 Ų617.5 Ų17.53%0.0269%0.094CC..Hα-helixtrans-62.1-44.3173.5-64.1-47.2000111.4P374 Q375 I378 Q397 H398 A403 L404 Y405 E551 V553P374-F401 HydrophobicContact CB-CD2 3.6Å; P374-F401 HydrophobicContact CB-CE2 3.75Å; P374-F401 HydrophobicContact CB-CG 4.24Å; P374-F401 HydrophobicContact CB-CZ 4.5Å; P374-F401 HydrophobicContact CG-CD2 3.72Å; P374-F401 HydrophobicContact CG-CE1 4.34Å; P374-F401 HydrophobicContact CG-CE2 3.34Å; P374-F401 HydrophobicContact CG-CG 4.37Å; P374-F401 HydrophobicContact CG-CZ 3.7Å; Q375-F401 HydrophobicContact CG-CD1 4.05Å; Q375-F401 HydrophobicContact CG-CE1 4.21Å; I378-F401 HydrophobicContact CG1-CB 4.19Å; Q397-F401 HydrophobicContact CB-CD2 4.17Å; Q397-F401 HydrophobicContact CB-CE2 3.69Å; Q397-F401 HydrophobicContact CB-CZ 4.35Å; Q397-F401 WeakPolarHBondContact O-CD2 3.17Å; Q397-F401 WeakPolarHBondContact O-CG 3.36Å; Q397-F401 PolarHBondContact O-N 3.28Å; H398-F401 PolarHBondContact O-N 3.02Å; F401-A403 PolarHBondContact O-N 3.36Å; F401-L404 PolarHBondContact O-N 3.39Å; F401-Y405 HydrophobicContact CD1-CD2 4.4Å; F401-Y405 HydrophobicContact CD1-CE2 4.16Å; F401-Y405 WeakPolarHBondContact O-CB 3.33Å; F401-Y405 WeakPolarHBondContact O-CD2 3.48Å; F401-Y405 PolarHBondContact O-N 3.23Å; F401-E551 HydrophobicContact CZ-CB 4.4Å; F401-V553 HydrophobicContact CD1-CG2 4.37Å; F401-V553 HydrophobicContact CE1-CB 4.47Å; F401-V553 HydrophobicContact CE1-CG2 3.84Å; F401-V553 HydrophobicContact CE2-CG2 4.26Å; F401-V553 HydrophobicContact CZ-CG2 3.78Å
402A98.7Very high98.4Very high1 Ų120 Ų201%0.00810%0.103CC..Hα-helixtrans-60-46.6174.100000111.8I378 H398 Q399 L404 Y406 W414 V445I378-A402 HydrophobicContact CD1-CB 4.38Å; H398-A402 WeakPolarHBondContact O-CB 3.34Å; H398-A402 PolarHBondContact O-N 3.02Å; Q399-A402 PolarHBondContact O-N 3.2Å; A402-L404 VanDerWaalsContact C-N 3.33Å; A402-L404 PolarHBondContact O-N 3.13Å; A402-Y406 VanDerWaalsContact O-CB 3.22Å; A402-Y406 WeakPolarHBondContact O-CB 3.41Å; A402-Y406 PolarHBondContact O-N 3.07Å; A402-Y406 VanDerWaalsContact O-N 3.13Å; A402-W414 HydrophobicContact CB-CH2 3.63Å; A402-W414 HydrophobicContact CB-CZ3 3.66Å; A402-V445 HydrophobicContact CB-CB 4.3Å; A402-V445 HydrophobicContact CB-CG1 4.17Å; A402-V445 HydrophobicContact CB-CG2 4.5Å
403A98.7Very high98.4Very high8 Ų821.2 Ų21.27%0.06611%0.108CC..Hα-helixtrans-63.8-33.5179.500000114L241 L244 M257 Q399 M400 F401 W414L241-A403 HydrophobicContact CD1-CB 3.61Å; L244-A403 HydrophobicContact CD1-CB 3.79Å; M257-A403 HydrophobicContact CE-CB 4.25Å; M257-A403 HydrophobicContact SD-CB 4.11Å; Q399-A403 WeakPolarHBondContact O-CB 3.18Å; Q399-A403 PolarHBondContact O-N 3.32Å; M400-A403 PolarHBondContact O-N 3.3Å; F401-A403 PolarHBondContact O-N 3.36Å; A403-W414 HydrophobicContact CB-CZ2 4.08Å
404L98.4Very high98.4Very high19 Ų1922 Ų2210%0.09911%0.111CC..Hα-helixtrans-89.4-34.9-176.6-72.3170.6000113.7M257 H261 T263 L363 M400 F401 A402 V553M257-L404 HydrophobicContact CE-CD2 3.97Å; M257-L404 HydrophobicContact CE-CG 4.16Å; H261-L404 WeakPolarHBondContact O-CD2 3.2Å; T263-L404 HydrophobicContact CG2-CD2 4.38Å; L363-L404 HydrophobicContact CD1-CB 4.48Å; L363-L404 HydrophobicContact CD2-CB 4.4Å; L363-L404 HydrophobicContact CD2-CD1 4.27Å; L363-L404 HydrophobicContact CD2-CD2 4.13Å; M400-L404 VanDerWaalsContact O-CB 3.3Å; M400-L404 WeakPolarHBondContact O-CB 3.37Å; M400-L404 VanDerWaalsContact O-CG 3.27Å; M400-L404 WeakPolarHBondContact O-CG 3.37Å; M400-L404 PolarHBondContact O-N 2.67Å; F401-L404 PolarHBondContact O-N 3.39Å; A402-L404 VanDerWaalsContact C-N 3.33Å; A402-L404 PolarHBondContact O-N 3.13Å; L404-V553 HydrophobicContact CD1-CG1 4.12Å
405Y98.6Very high98.4Very high15 Ų1522 Ų226%0.05911%0.111CC..Hα-helixtrans-110.30.1-169.1-66.4-90.9000113.9L363 Y365 Q375 I378 E379 F401 P407L363-Y405 HydrophobicContact CB-CE1 3.96Å; L363-Y405 VanDerWaalsContact O-CE1 3.29Å; L363-Y405 WeakPolarHBondContact O-CE1 3.34Å; L363-Y405 PolarHBondContact O-OH 2.77Å; Y365-Y405 AromaticContact CD1-CE1 3.76Å; Y365-Y405 HydrophobicContact CD1-CE1 3.76Å; Y365-Y405 HydrophobicContact CE1-CD1 4.28Å; Y365-Y405 AromaticContact CE1-CE1 3.82Å; Y365-Y405 HydrophobicContact CE1-CE1 3.82Å; Q375-Y405 HydrophobicContact CB-CD1 3.91Å; Q375-Y405 HydrophobicContact CB-CD2 4.2Å; Q375-Y405 HydrophobicContact CB-CE1 3.79Å; Q375-Y405 HydrophobicContact CB-CE2 4.11Å; Q375-Y405 HydrophobicContact CB-CG 4.11Å; Q375-Y405 HydrophobicContact CG-CD1 4.28Å; Q375-Y405 HydrophobicContact CG-CD2 3.96Å; Q375-Y405 HydrophobicContact CG-CE1 3.79Å; Q375-Y405 HydrophobicContact CG-CE2 3.44Å; Q375-Y405 VanDerWaalsContact CG-CE2 3.44Å; Q375-Y405 HydrophobicContact CG-CG 4.36Å; I378-Y405 VanDerWaalsContact CG2-C 3.49Å; E379-Y405 HydrophobicContact CG-CD1 4.1Å; F401-Y405 HydrophobicContact CD1-CD2 4.4Å; F401-Y405 HydrophobicContact CD1-CE2 4.16Å; F401-Y405 WeakPolarHBondContact O-CB 3.33Å; F401-Y405 WeakPolarHBondContact O-CD2 3.48Å; F401-Y405 PolarHBondContact O-N 3.23Å; Y405-P407 WeakPolarHBondContact O-CD 3.45Å
406Y98.7Very high98.4Very high6 Ų620.7 Ų20.72%0.02410%0.102CC..SBendtrans-110.695.9169-161.6-75.6000110I378 W382 T385 G387 D388 A389 V391 A402 F408I378-Y406 HydrophobicContact CG2-CD2 4.4Å; W382-Y406 HydrophobicContact CB-CD2 3.64Å; W382-Y406 HydrophobicContact CB-CE2 3.81Å; W382-Y406 HydrophobicContact CB-CG 4.15Å; W382-Y406 AromaticContact CD1-CD1 3.81Å; W382-Y406 AromaticContact CD1-CE1 3.8Å; W382-Y406 AromaticContact CD1-CG 3.99Å; W382-Y406 AromaticContact CD1-CZ 3.98Å; W382-Y406 HydrophobicContact CG-CD2 4.35Å; W382-Y406 HydrophobicContact CG-CE2 4.42Å; W382-Y406 HydrophobicContact CG-CG 4.48Å; T385-Y406 PolarHBondContact OG1-OH 3.41Å; G387-Y406 VanDerWaalsContact C-OH 3.26Å; G387-Y406 VanDerWaalsContact CA-OH 3.3Å; G387-Y406 WeakPolarHBondContact CA-OH 3.49Å; D388-Y406 PolarHBondContact N-OH 3.34Å; A389-Y406 PolarHBondContact N-OH 3.47Å; V391-Y406 HydrophobicContact CG2-CD1 4.2Å; V391-Y406 HydrophobicContact CG2-CD2 4.12Å; V391-Y406 HydrophobicContact CG2-CE1 3.94Å; V391-Y406 HydrophobicContact CG2-CE2 3.85Å; V391-Y406 HydrophobicContact CG2-CG 4.29Å; A402-Y406 VanDerWaalsContact O-CB 3.22Å; A402-Y406 WeakPolarHBondContact O-CB 3.41Å; A402-Y406 PolarHBondContact O-N 3.07Å; A402-Y406 VanDerWaalsContact O-N 3.13Å; Y406-F408 AromaticContact CD1-CD1 3.62Å; Y406-F408 HydrophobicContact CD1-CD1 3.62Å; Y406-F408 HydrophobicContact CD1-CD2 4.36Å; Y406-F408 AromaticContact CD1-CE1 3.32Å; Y406-F408 HydrophobicContact CD1-CE1 3.32Å; Y406-F408 HydrophobicContact CD1-CE2 4.1Å; Y406-F408 HydrophobicContact CD1-CG 4.14Å; Y406-F408 AromaticContact CD1-CZ 3.58Å; Y406-F408 HydrophobicContact CD1-CZ 3.58Å; Y406-F408 AromaticContact CE1-CD1 3.89Å; Y406-F408 HydrophobicContact CE1-CD1 3.89Å; Y406-F408 AromaticContact CE1-CE1 3.73Å; Y406-F408 HydrophobicContact CE1-CE1 3.73Å; Y406-F408 HydrophobicContact CE1-CZ 4.4Å; Y406-F408 HydrophobicContact CG-CE1 4.14Å; Y406-F408 HydrophobicContact CG-CE2 4.49Å; Y406-F408 AromaticContact CG-CZ 3.99Å; Y406-F408 HydrophobicContact CG-CZ 3.99Å; Y406-F408 WeakPolarHBondContact O-CD2 3.42Å; Y406-F408 WeakPolarHBondContact O-CE2 3.38Å; Y406-F408 PolarHBondContact O-N 3.48Å
407P98Very high98.5Very high39 Ų3920.2 Ų20.225%0.25310%0.098SC..  trans-63.5105.3176.1-24.232.6000112.5A249 T250 W382 Y405A249-P407 HydrophobicContact CB-CB 3.87Å; T250-P407 HydrophobicContact CG2-CB 3.94Å; W382-P407 HydrophobicContact CD2-CG 4.48Å; W382-P407 HydrophobicContact CZ2-CB 4.44Å; W382-P407 HydrophobicContact CZ2-CG 4.36Å; W382-P407 PolarHBondContact NE1-O 3.15Å; W382-P407 VanDerWaalsContact NE1-O 3.11Å; Y405-P407 WeakPolarHBondContact O-CD 3.45Å
408F98.5Very high98.4Very high3 Ų321.1 Ų21.11%0.01311%0.11CC..  trans-82.9113.4177.3-61.5-79000111.5L244 A249 V391 Y406 R413 W414L244-F408 HydrophobicContact CB-CD2 4.06Å; L244-F408 HydrophobicContact CD1-CD2 4.3Å; L244-F408 HydrophobicContact CD1-CE2 4.38Å; A249-F408 WeakPolarHBondContact CB-O 3.48Å; A249-F408 PolarHBondContact N-O 2.8Å; A249-F408 VanDerWaalsContact N-O 3.11Å; V391-F408 HydrophobicContact CB-CE1 3.8Å; V391-F408 HydrophobicContact CB-CZ 3.99Å; V391-F408 HydrophobicContact CG1-CZ 4.48Å; V391-F408 HydrophobicContact CG2-CE1 3.78Å; V391-F408 HydrophobicContact CG2-CZ 4.21Å; Y406-F408 AromaticContact CD1-CD1 3.62Å; Y406-F408 HydrophobicContact CD1-CD1 3.62Å; Y406-F408 HydrophobicContact CD1-CD2 4.36Å; Y406-F408 AromaticContact CD1-CE1 3.32Å; Y406-F408 HydrophobicContact CD1-CE1 3.32Å; Y406-F408 HydrophobicContact CD1-CE2 4.1Å; Y406-F408 HydrophobicContact CD1-CG 4.14Å; Y406-F408 AromaticContact CD1-CZ 3.58Å; Y406-F408 HydrophobicContact CD1-CZ 3.58Å; Y406-F408 AromaticContact CE1-CD1 3.89Å; Y406-F408 HydrophobicContact CE1-CD1 3.89Å; Y406-F408 AromaticContact CE1-CE1 3.73Å; Y406-F408 HydrophobicContact CE1-CE1 3.73Å; Y406-F408 HydrophobicContact CE1-CZ 4.4Å; Y406-F408 HydrophobicContact CG-CE1 4.14Å; Y406-F408 HydrophobicContact CG-CE2 4.49Å; Y406-F408 AromaticContact CG-CZ 3.99Å; Y406-F408 HydrophobicContact CG-CZ 3.99Å; Y406-F408 WeakPolarHBondContact O-CD2 3.42Å; Y406-F408 WeakPolarHBondContact O-CE2 3.38Å; Y406-F408 PolarHBondContact O-N 3.48Å; F408-R413 HydrophobicContact CD1-CB 3.71Å; F408-R413 HydrophobicContact CE1-CB 4.35Å; F408-W414 HydrophobicContact CD1-CB 4.08Å; F408-W414 HydrophobicContact CD2-CB 4.05Å; F408-W414 HydrophobicContact CD2-CG 4.5Å; F408-W414 HydrophobicContact CE1-CB 3.91Å; F408-W414 HydrophobicContact CE1-CE3 4.23Å; F408-W414 HydrophobicContact CE2-CB 3.89Å; F408-W414 HydrophobicContact CE2-CD2 4.01Å; F408-W414 AromaticContact CE2-CE3 3.94Å; F408-W414 HydrophobicContact CE2-CE3 3.94Å; F408-W414 HydrophobicContact CE2-CG 4.02Å; F408-W414 HydrophobicContact CG-CB 4.15Å; F408-W414 HydrophobicContact CZ-CB 3.83Å; F408-W414 AromaticContact CZ-CD2 3.9Å; F408-W414 HydrophobicContact CZ-CD2 3.9Å; F408-W414 AromaticContact CZ-CE3 3.41Å; F408-W414 HydrophobicContact CZ-CE3 3.41Å; F408-W414 VanDerWaalsContact CZ-CE3 3.41Å; F408-W414 HydrophobicContact CZ-CG 4.11Å; F408-W414 HydrophobicContact CZ-CZ3 4.22Å
409D98Very high98.4Very high54 Ų5421.4 Ų21.429%0.28912%0.117SC..  trans-96.4-9.8-179.6-78.8-21000114.9P248 A249 T250P248-D409 HydrophobicContact CB-CB 4.18Å; P248-D409 WeakPolarHBondContact CB-OD1 3.19Å; A249-D409 PolarHBondContact N-OD1 3.13Å; T250-D409 WeakPolarHBondContact CG2-OD2 3.44Å; T250-D409 PolarHBondContact N-OD1 3.22Å; T250-D409 PolarHBondContact OG1-OD1 2.95Å; T250-D409 PolarHBondContact OG1-OD2 2.75Å
410K98.2Very high98.3Very high90 Ų9024.4 Ų24.439%0.39113%0.133SC..SBendtrans-126.5149-178.6-62.9-179.9-171.2171.30111G245 D388 R413G245-K410 WeakPolarHBondContact CA-O 3.42Å; G245-K410 CarbonylContact O-C 3.59Å; D388-K410 WeakPolarHBondContact OD1-CD 3.24Å; D388-K410 WeakPolarHBondContact OD1-CE 3.44Å; D388-K410 IonicContact OD1-NZ 3.79Å; D388-K410 PolarHBondContact OD1-NZ 3.36Å; D388-K410 IonicContact OD2-NZ 3.19Å; D388-K410 PolarHBondContact OD2-NZ 2.97Å; K410-R413 HydrophobicContact CB-CG 3.8Å; K410-R413 WeakPolarHBondContact O-CG 3.47Å
411P97.9Very high98.3Very high29 Ų2924.9 Ų24.919%0.18814%0.142CC..THydrogen-bonded Turntrans-65.9159.7176.729.7-36.7000110.8I218 H223 G245 R413I218-P411 HydrophobicContact CD1-CB 3.77Å; H223-P411 HydrophobicContact CB-CG 4.34Å; G245-P411 VanDerWaalsContact O-CA 3.27Å; G245-P411 WeakPolarHBondContact O-CA 3.22Å; P411-R413 PolarHBondContact O-N 3.44Å; P411-R413 PolarHBondContact O-NH1 3.39Å
412R98.1Very high98.3Very high53 Ų5325.1 Ų25.120%0.215%0.145CC..THydrogen-bonded Turntrans6111.1175.7-55.3177.1177.2-86.21.7115.1R63 A64 G66 I218 Y390R63-R412 WeakPolarHBondContact O-CD 3.26Å; R63-R412 WeakPolarHBondContact O-CG 3.43Å; R63-R412 PolarHBondContact O-NH1 2.94Å; A64-R412 WeakPolarHBondContact O-CD 3.36Å; G66-R412 VanDerWaalsContact CA-NH1 3.29Å; I218-R412 HydrophobicContact CG2-CG 3.67Å; Y390-R412 WeakPolarHBondContact CD1-O 3.1Å; Y390-R412 VanDerWaalsContact CE1-O 3.27Å; Y390-R412 WeakPolarHBondContact CE1-O 3.22Å
413R98.2Very high98.3Very high26 Ų2627.4 Ų27.410%0.09816%0.156CC..  trans-82.8-22.8174.9-66.3-63.5-177.8-91.617.8113.5D388 Y390 V391 F408 K410 P411D388-R413 PolarHBondContact O-NE 3.18Å; D388-R413 IonicContact OD1-CZ 3.77Å; D388-R413 IonicContact OD1-NE 3.59Å; D388-R413 PolarHBondContact OD1-NE 2.79Å; D388-R413 IonicContact OD1-NH2 3.68Å; Y390-R413 PolarHBondContact OH-NH1 2.97Å; V391-R413 PolarHBondContact N-O 2.84Å; F408-R413 HydrophobicContact CD1-CB 3.71Å; F408-R413 HydrophobicContact CE1-CB 4.35Å; K410-R413 HydrophobicContact CB-CG 3.8Å; K410-R413 WeakPolarHBondContact O-CG 3.47Å; P411-R413 PolarHBondContact O-N 3.44Å; P411-R413 PolarHBondContact O-NH1 3.39Å
414W98.8Very high98.3Very high18 Ų1827.1 Ų27.17%0.06815%0.153CC..EExtended strand (participates in β ladder)trans-104.3117.4176.3177-122.8000111.1L241 L244 V391 Q399 A402 A403 F408 N416L241-W414 HydrophobicContact CD1-CZ2 4.06Å; L241-W414 PolarHBondContact O-NE1 2.87Å; L244-W414 HydrophobicContact CB-CB 4.22Å; L244-W414 HydrophobicContact CB-CG 4.3Å; L244-W414 HydrophobicContact CD1-CG 4.31Å; V391-W414 HydrophobicContact CB-CE3 4.16Å; V391-W414 HydrophobicContact CB-CZ3 4.41Å; V391-W414 HydrophobicContact CG1-CE3 4.08Å; V391-W414 HydrophobicContact CG1-CZ3 3.82Å; Q399-W414 HydrophobicContact CG-CH2 4.27Å; Q399-W414 HydrophobicContact CG-CZ2 4.01Å; A402-W414 HydrophobicContact CB-CH2 3.63Å; A402-W414 HydrophobicContact CB-CZ3 3.66Å; A403-W414 HydrophobicContact CB-CZ2 4.08Å; F408-W414 HydrophobicContact CD1-CB 4.08Å; F408-W414 HydrophobicContact CD2-CB 4.05Å; F408-W414 HydrophobicContact CD2-CG 4.5Å; F408-W414 HydrophobicContact CE1-CB 3.91Å; F408-W414 HydrophobicContact CE1-CE3 4.23Å; F408-W414 HydrophobicContact CE2-CB 3.89Å; F408-W414 HydrophobicContact CE2-CD2 4.01Å; F408-W414 AromaticContact CE2-CE3 3.94Å; F408-W414 HydrophobicContact CE2-CE3 3.94Å; F408-W414 HydrophobicContact CE2-CG 4.02Å; F408-W414 HydrophobicContact CG-CB 4.15Å; F408-W414 HydrophobicContact CZ-CB 3.83Å; F408-W414 AromaticContact CZ-CD2 3.9Å; F408-W414 HydrophobicContact CZ-CD2 3.9Å; F408-W414 AromaticContact CZ-CE3 3.41Å; F408-W414 HydrophobicContact CZ-CE3 3.41Å; F408-W414 VanDerWaalsContact CZ-CE3 3.41Å; F408-W414 HydrophobicContact CZ-CG 4.11Å; F408-W414 HydrophobicContact CZ-CZ3 4.22Å; W414-N416 HydrophobicContact CH2-CB 4.25Å; W414-N416 HydrophobicContact CZ2-CB 3.63Å; W414-N416 PolarHBondContact NE1-ND2 3.02Å
415I98.9Very high98.3Very high1 Ų126.2 Ų26.21%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-127.9107.5-173.3-67.6171.8000109.3R63 A64 Y390 V391 T392 S393 F425 A429 V433R63-I415 HydrophobicContact CB-CD1 4.19Å; R63-I415 HydrophobicContact CB-CG1 4.01Å; R63-I415 HydrophobicContact CB-CG2 4.33Å; A64-I415 HydrophobicContact CB-CD1 4.03Å; Y390-I415 HydrophobicContact CD1-CD1 4.12Å; V391-I415 PolarHBondContact O-N 3.29Å; T392-I415 CarbonylContact C-O 3.58Å; T392-I415 WeakPolarHBondContact CA-O 3.35Å; T392-I415 HydrophobicContact CG2-CB 4.01Å; T392-I415 HydrophobicContact CG2-CG2 3.97Å; S393-I415 PolarHBondContact N-O 3.07Å; I415-F425 HydrophobicContact CG2-CE1 3.95Å; I415-F425 HydrophobicContact CG2-CZ 4.01Å; I415-A429 HydrophobicContact CG2-CB 3.86Å; I415-V433 HydrophobicContact CD1-CG2 3.45Å; I415-V433 VanDerWaalsContact CD1-CG2 3.45Å
416N98.7Very high98.3Very high1 Ų125.5 Ų25.51%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-146.5161.5-175.282.4110.3000110.4R63 L241 Q399 W414 G418R63-N416 PolarHBondContact NH1-O 3.49Å; L241-N416 VanDerWaalsContact CD2-OD1 3.27Å; L241-N416 WeakPolarHBondContact CD2-OD1 3.48Å; Q399-N416 PolarHBondContact NE2-OD1 2.84Å; W414-N416 HydrophobicContact CH2-CB 4.25Å; W414-N416 HydrophobicContact CZ2-CB 3.63Å; W414-N416 PolarHBondContact NE1-ND2 3.02Å; N416-G418 PolarHBondContact O-N 3.01Å; N416-G418 PolarHBondContact OD1-N 2.87Å
417S98.6Very high98.3Very high0 Ų025.3 Ų25.30%015%0.145CC..  trans-87.1101.61671650000109.9Q399 G421 T422Q399-S417 PolarHBondContact NE2-O 2.87Å; S417-G421 PolarHBondContact OG-N 3.12Å; S417-T422 PolarHBondContact OG-N 3.49Å
418G97.7Very high98.4Very high28 Ų2823.4 Ų23.429%0.28913%0.133SC..  trans-91.2-59.4-176.800000113.1D92 N416D92-G418 PolarHBondContact OD2-N 2.88Å; N416-G418 PolarHBondContact O-N 3.01Å; N416-G418 PolarHBondContact OD1-N 2.87Å
419G97.3Very high98.4Very high22 Ų2223.3 Ų23.323%0.22713%0.133CC..SBendtrans-69.7-41.9-170.200000114.1D92D92-G419 WeakPolarHBondContact OD1-CA 3.36Å; D92-G419 PolarHBondContact OD1-N 3.41Å
420L98.1Very high98.4Very high75 Ų7520.7 Ų20.739%0.39312%0.119SC..SBendtrans-91.6-25.5176.1-166.462.4000113A87 M91A87-L420 HydrophobicContact CB-CD2 3.62Å; M91-L420 HydrophobicContact CB-CB 4.21Å; M91-L420 HydrophobicContact CG-CB 4.12Å; M91-L420 HydrophobicContact CG-CD1 4.35Å
421G98.1Very high98.5Very high28 Ų2816.4 Ų16.429%0.28910%0.1SC..  trans65.844.4-178.200000113.8V395 S417 M423V395-G421 VanDerWaalsContact CG2-C 3.5Å; S417-G421 PolarHBondContact OG-N 3.12Å; G421-M423 PolarHBondContact O-N 2.95Å
422T98.7Very high98.5Very high12 Ų1215 Ų157%0.0749%0.091CC..  trans-74.9110.7-179.6-51.40000112.9T84 T88 V395 S417 F425T84-T422 HydrophobicContact CG2-CG2 3.65Å; T88-T422 PolarHBondContact OG1-OG1 3.38Å; V395-T422 WeakPolarHBondContact CG2-O 3.46Å; S417-T422 PolarHBondContact OG-N 3.49Å; T422-F425 VanDerWaalsContact O-CB 3.32Å; T422-F425 WeakPolarHBondContact O-CB 3.36Å
423M98.7Very high98.5Very high48 Ų4812.5 Ų12.524%0.2368%0.082CC..THydrogen-bonded Turntrans-67.1146.4167-69.6172.668.700111.1V395 G421 S450 M453 L478V395-M423 HydrophobicContact CB-CG 4.01Å; G421-M423 PolarHBondContact O-N 2.95Å; M423-S450 WeakPolarHBondContact CE-OG 3.2Å; M423-M453 HydrophobicContact CB-CE 3.67Å; M423-M453 HydrophobicContact CB-CG 4.49Å; M423-M453 HydrophobicContact CB-SD 3.31Å; M423-M453 WeakPolarHBondContact CB-SD 3.5Å; M423-M453 HydrophobicContact CE-CE 3.56Å; M423-M453 HydrophobicContact CE-SD 4.49Å; M423-M453 HydrophobicContact CG-CE 4.31Å; M423-M453 HydrophobicContact SD-CE 3.69Å; M423-L478 HydrophobicContact CE-CD2 3.82Å
424G98.3Very high98.5Very high2 Ų212 Ų122%0.0218%0.08CC..THydrogen-bonded Turntrans83.111.9-175.900000114.1D394 L428 N454D394-G424 WeakPolarHBondContact OD1-CA 3.27Å; D394-G424 PolarHBondContact OD1-N 2.94Å; G424-L428 WeakPolarHBondContact O-CD1 3.45Å; G424-L428 WeakPolarHBondContact O-CG 3.34Å; G424-N454 PolarHBondContact O-ND2 3.03Å
425F98.8Very high98.5Very high0 Ų012.9 Ų12.90%09%0.085CC..  trans-79.4-39.8176171.2-92.5000112.8H56 D59 T88 S393 D394 I415 T422 L427 L428 A429H56-F425 HydrophobicContact CB-CD2 4.36Å; H56-F425 AromaticContact ND1-CD2 3.58Å; D59-F425 HydrophobicContact CB-CE2 4.46Å; D59-F425 WeakPolarHBondContact OD1-CE2 3.03Å; T88-F425 HydrophobicContact CG2-CD2 4.21Å; T88-F425 HydrophobicContact CG2-CE2 4.35Å; S393-F425 WeakPolarHBondContact O-CD1 3.41Å; D394-F425 PolarHBondContact OD1-N 3.39Å; I415-F425 HydrophobicContact CG2-CE1 3.95Å; I415-F425 HydrophobicContact CG2-CZ 4.01Å; T422-F425 VanDerWaalsContact O-CB 3.32Å; T422-F425 WeakPolarHBondContact O-CB 3.36Å; F425-L427 PolarHBondContact O-N 2.99Å; F425-L428 WeakPolarHBondContact O-CB 2.95Å; F425-L428 PolarHBondContact O-N 3.22Å; F425-A429 HydrophobicContact CD1-CB 4Å; F425-A429 HydrophobicContact CE1-CB 3.45Å; F425-A429 VanDerWaalsContact CE1-CB 3.45Å; F425-A429 HydrophobicContact CE2-CB 4.06Å; F425-A429 HydrophobicContact CZ-CB 3.49Å; F425-A429 VanDerWaalsContact CZ-CB 3.49Å; F425-A429 PolarHBondContact O-N 2.66Å
426G98.8Very high98.4Very high0 Ų014 Ų140%010%0.095CC..Hα-helixtrans-59.3-50.5-162.500000114T392 D394 L428 A430T392-G426 WeakPolarHBondContact CB-O 3.48Å; T392-G426 PolarHBondContact OG1-O 3.31Å; D394-G426 PolarHBondContact OD1-N 3.04Å; G426-L428 VanDerWaalsContact C-N 3.34Å; G426-L428 PolarHBondContact O-N 3.45Å; G426-A430 WeakPolarHBondContact O-CB 3.25Å; G426-A430 PolarHBondContact O-N 2.89Å
427L98.9Very high98.3Very high2 Ų216 Ų161%0.0111%0.105CC..Hα-helixtrans-59.4-47.2178.4175.661000111F425 A430 L431 C444 I451 E457 L458 V470F425-L427 PolarHBondContact O-N 2.99Å; L427-A430 WeakPolarHBondContact O-CB 3.08Å; L427-A430 PolarHBondContact O-N 2.87Å; L427-A430 VanDerWaalsContact O-N 3.15Å; L427-L431 HydrophobicContact CD1-CD1 4.48Å; L427-L431 HydrophobicContact CD1-CD2 4.41Å; L427-L431 HydrophobicContact CD1-CG 4.29Å; L427-L431 HydrophobicContact CG-CD1 4.41Å; L427-L431 WeakPolarHBondContact O-CG 3.43Å; L427-L431 PolarHBondContact O-N 3.21Å; L427-C444 PolarHBondContact N-SG 2.83Å; L427-C444 VanDerWaalsContact N-SG 3.38Å; L427-I451 HydrophobicContact CB-CD1 4.1Å; L427-I451 HydrophobicContact CD2-CD1 4.08Å; L427-E457 HydrophobicContact CD2-CB 4.35Å; L427-L458 HydrophobicContact CD1-CD2 4.39Å; L427-L458 HydrophobicContact CD2-CD2 4.18Å; L427-L458 HydrophobicContact CD2-CG 4.3Å; L427-V470 HydrophobicContact CD1-CG2 3.85Å
428L98.8Very high98.3Very high0 Ų019.7 Ų19.70%013%0.13CC..Hα-helixtrans-62.6-48.9-176.1-50.7173.5000111A53 H56 M57 G424 F425 G426 A430 L431 G432 N454 E457A53-L428 HydrophobicContact CB-CD1 4.33Å; A53-L428 HydrophobicContact CB-CD2 3.54Å; A53-L428 HydrophobicContact CB-CG 4.49Å; H56-L428 HydrophobicContact CB-CB 3.49Å; H56-L428 VanDerWaalsContact CB-CB 3.49Å; H56-L428 HydrophobicContact CB-CD1 3.51Å; H56-L428 HydrophobicContact CB-CG 4.14Å; H56-L428 VanDerWaalsContact CD2-CD1 3.42Å; H56-L428 WeakPolarHBondContact CD2-CD1 3.44Å; M57-L428 HydrophobicContact CG-CB 4.29Å; M57-L428 VanDerWaalsContact CG-O 3.22Å; M57-L428 WeakPolarHBondContact CG-O 3.37Å; G424-L428 WeakPolarHBondContact O-CD1 3.45Å; G424-L428 WeakPolarHBondContact O-CG 3.34Å; F425-L428 WeakPolarHBondContact O-CB 2.95Å; F425-L428 PolarHBondContact O-N 3.22Å; G426-L428 VanDerWaalsContact C-N 3.34Å; G426-L428 PolarHBondContact O-N 3.45Å; L428-A430 PolarHBondContact O-N 3.48Å; L428-L431 PolarHBondContact O-N 3.01Å; L428-G432 PolarHBondContact O-N 3.3Å; L428-N454 HydrophobicContact CD1-CB 3.99Å; L428-N454 HydrophobicContact CD2-CB 4.01Å; L428-N454 HydrophobicContact CG-CB 4.18Å; L428-E457 HydrophobicContact CD2-CB 3.79Å; L428-E457 HydrophobicContact CD2-CG 3.44Å; L428-E457 VanDerWaalsContact CD2-CG 3.44Å
429A98.9Very high98.3Very high0 Ų026.8 Ų26.80%016%0.155CC..Hα-helixtrans-59.8-38.9176.500000111.2T392 I415 F425 G432 V433T392-A429 HydrophobicContact CG2-CB 4.14Å; I415-A429 HydrophobicContact CG2-CB 3.86Å; F425-A429 HydrophobicContact CD1-CB 4Å; F425-A429 HydrophobicContact CE1-CB 3.45Å; F425-A429 VanDerWaalsContact CE1-CB 3.45Å; F425-A429 HydrophobicContact CE2-CB 4.06Å; F425-A429 HydrophobicContact CZ-CB 3.49Å; F425-A429 VanDerWaalsContact CZ-CB 3.49Å; F425-A429 PolarHBondContact O-N 2.66Å; A429-G432 PolarHBondContact O-N 3.48Å; A429-V433 WeakPolarHBondContact O-CG2 3.41Å; A429-V433 PolarHBondContact O-N 3.11Å
430A98.9Very high98.3Very high0 Ų028.9 Ų28.90%016%0.159CC..Hα-helixtrans-64.4-42.8177.300000112.5T392 G426 L427 L428 G432 V433 K434 V442 C444 V468T392-A430 HydrophobicContact CG2-CB 3.82Å; T392-A430 WeakPolarHBondContact OG1-CB 3.49Å; G426-A430 WeakPolarHBondContact O-CB 3.25Å; G426-A430 PolarHBondContact O-N 2.89Å; L427-A430 WeakPolarHBondContact O-CB 3.08Å; L427-A430 PolarHBondContact O-N 2.87Å; L427-A430 VanDerWaalsContact O-N 3.15Å; L428-A430 PolarHBondContact O-N 3.48Å; A430-G432 VanDerWaalsContact C-N 3.31Å; A430-G432 PolarHBondContact O-N 2.79Å; A430-V433 PolarHBondContact O-N 3.41Å; A430-K434 WeakPolarHBondContact O-CB 3.4Å; A430-K434 PolarHBondContact O-N 3.19Å; A430-V442 HydrophobicContact CB-CG1 3.68Å; A430-C444 HydrophobicContact CB-CB 4.04Å; A430-V468 HydrophobicContact CB-CG1 3.73Å; A430-V468 HydrophobicContact CB-CG2 4.21Å
431L98.8Very high98.3Very high0 Ų027.7 Ų27.70%016%0.155CC..Hα-helixtrans-62.6-41.9175.2-60-179.5000110.8M57 L427 L428 K434 M435 E457 A461 L466 V468 L540M57-L431 HydrophobicContact CE-CB 3.69Å; M57-L431 HydrophobicContact CG-CB 4.3Å; M57-L431 HydrophobicContact SD-CB 4.3Å; L427-L431 HydrophobicContact CD1-CD1 4.48Å; L427-L431 HydrophobicContact CD1-CD2 4.41Å; L427-L431 HydrophobicContact CD1-CG 4.29Å; L427-L431 HydrophobicContact CG-CD1 4.41Å; L427-L431 WeakPolarHBondContact O-CG 3.43Å; L427-L431 PolarHBondContact O-N 3.21Å; L428-L431 PolarHBondContact O-N 3.01Å; L431-K434 PolarHBondContact O-N 3.02Å; L431-M435 WeakPolarHBondContact O-CG 3.02Å; L431-M435 PolarHBondContact O-N 3.36Å; L431-E457 HydrophobicContact CD1-CB 4.31Å; L431-A461 HydrophobicContact CD1-CB 4.06Å; L431-A461 HydrophobicContact CD2-CB 3.53Å; L431-A461 HydrophobicContact CG-CB 4.46Å; L431-L466 HydrophobicContact CB-CD1 3.92Å; L431-L466 HydrophobicContact CD2-CB 3.96Å; L431-L466 HydrophobicContact CD2-CD1 3.97Å; L431-L466 HydrophobicContact CG-CD1 4.41Å; L431-V468 HydrophobicContact CD2-CG2 4.04Å; L431-L540 HydrophobicContact CD2-CD1 4.41Å
432G98.6Very high98.3Very high0 Ų026.3 Ų26.30%014%0.141CC..Hα-helixtrans-59-45.9173.600000113.5M57 L428 A429 A430 M435 A436M57-G432 VanDerWaalsContact O-CA 3.3Å; M57-G432 WeakPolarHBondContact O-CA 3.43Å; L428-G432 PolarHBondContact O-N 3.3Å; A429-G432 PolarHBondContact O-N 3.48Å; A430-G432 VanDerWaalsContact C-N 3.31Å; A430-G432 PolarHBondContact O-N 2.79Å; G432-M435 PolarHBondContact O-N 2.9Å; G432-A436 PolarHBondContact O-N 2.89Å; G432-A436 VanDerWaalsContact O-N 3.13Å
433V98.7Very high98.4Very high0 Ų025.9 Ų25.90%014%0.138CC..Hα-helixtrans-60.5-47.3174.5177.50000110.8A64 Y390 T392 I415 A429 A430 M435 A436 L437 V442A64-V433 HydrophobicContact CB-CB 4.29Å; A64-V433 HydrophobicContact CB-CG1 3.95Å; A64-V433 HydrophobicContact CB-CG2 3.86Å; Y390-V433 HydrophobicContact CD1-CG1 3.92Å; Y390-V433 HydrophobicContact CD2-CG1 4.43Å; Y390-V433 HydrophobicContact CG-CG1 3.81Å; T392-V433 HydrophobicContact CG2-CG2 4.26Å; I415-V433 HydrophobicContact CD1-CG2 3.45Å; I415-V433 VanDerWaalsContact CD1-CG2 3.45Å; A429-V433 WeakPolarHBondContact O-CG2 3.41Å; A429-V433 PolarHBondContact O-N 3.11Å; A430-V433 PolarHBondContact O-N 3.41Å; V433-M435 VanDerWaalsContact C-N 3.31Å; V433-M435 PolarHBondContact O-N 3.21Å; V433-A436 PolarHBondContact O-N 2.8Å; V433-A436 VanDerWaalsContact O-N 3.11Å; V433-L437 HydrophobicContact CG1-CD1 4.35Å; V433-L437 PolarHBondContact O-N 2.9Å; V433-V442 HydrophobicContact CB-CG1 4.27Å; V433-V442 HydrophobicContact CB-CG2 4.26Å; V433-V442 HydrophobicContact CG1-CG1 4.32Å; V433-V442 HydrophobicContact CG1-CG2 3.67Å
434K98.5Very high98.4Very high16 Ų1623.6 Ų23.67%0.0713%0.127CC..Hα-helixtrans-65.8-35.1-175.4-169.353.1166178.50112.3A430 L431 L437 P438 E440 V442 L466 P467 V468A430-K434 WeakPolarHBondContact O-CB 3.4Å; A430-K434 PolarHBondContact O-N 3.19Å; L431-K434 PolarHBondContact O-N 3.02Å; K434-L437 CarbonylContact O-C 3.59Å; K434-L437 VanDerWaalsContact O-C 3.32Å; K434-P438 WeakPolarHBondContact CE-O 3.42Å; K434-P438 PolarHBondContact NZ-O 2.91Å; K434-P438 VanDerWaalsContact O-CA 3.31Å; K434-P438 WeakPolarHBondContact O-CA 3.33Å; K434-E440 PolarHBondContact NZ-O 3.5Å; K434-V442 HydrophobicContact CB-CG2 4.17Å; K434-V442 HydrophobicContact CD-CG2 3.98Å; K434-L466 HydrophobicContact CG-CB 4.36Å; K434-L466 HydrophobicContact CG-CD2 4.44Å; K434-P467 VanDerWaalsContact CE-CG 3.42Å; K434-P467 VanDerWaalsContact CE-O 3.25Å; K434-P467 WeakPolarHBondContact CE-O 3.15Å; K434-V468 HydrophobicContact CB-CG2 3.97Å; K434-V468 HydrophobicContact CG-CG2 4.25Å
435M97.2Very high98.4Very high35 Ų3523.6 Ų23.617%0.17213%0.127CC..Hα-helixtrans-65.4-41.7171.6-71.9-167.411300112.3F23 V46 M57 L431 G432 V433 L437 Y464 L466F23-M435 HydrophobicContact CE1-SD 3.89Å; V46-M435 HydrophobicContact CB-CE 4.3Å; V46-M435 HydrophobicContact CB-SD 4.19Å; V46-M435 HydrophobicContact CG1-CE 3.84Å; V46-M435 HydrophobicContact CG1-SD 3.58Å; V46-M435 VanDerWaalsContact CG1-SD 3.58Å; V46-M435 HydrophobicContact CG2-CE 3.49Å; V46-M435 VanDerWaalsContact CG2-CE 3.49Å; V46-M435 HydrophobicContact CG2-SD 3.56Å; V46-M435 VanDerWaalsContact CG2-SD 3.56Å; M57-M435 HydrophobicContact CE-SD 3.87Å; L431-M435 WeakPolarHBondContact O-CG 3.02Å; L431-M435 PolarHBondContact O-N 3.36Å; G432-M435 PolarHBondContact O-N 2.9Å; V433-M435 VanDerWaalsContact C-N 3.31Å; V433-M435 PolarHBondContact O-N 3.21Å; M435-L437 VanDerWaalsContact C-N 3.34Å; M435-Y464 HydrophobicContact CE-CD1 3.64Å; M435-Y464 HydrophobicContact CE-CD2 4.45Å; M435-Y464 HydrophobicContact CE-CE1 4.34Å; M435-Y464 HydrophobicContact CE-CG 3.72Å; M435-L466 HydrophobicContact CE-CD1 4.44Å; M435-L466 HydrophobicContact CE-CD2 4.36Å; M435-L466 HydrophobicContact CG-CD1 3.68Å; M435-L466 HydrophobicContact CG-CD2 3.49Å; M435-L466 VanDerWaalsContact CG-CD2 3.49Å; M435-L466 HydrophobicContact CG-CG 4.25Å; M435-L466 HydrophobicContact SD-CD1 4.04Å
436A97.1Very high98.4Very high26 Ų2623.6 Ų23.622%0.21513%0.127CC..Hα-helixtrans-70.2-32.9179.200000112.9L61 T65 G432 V433L61-A436 HydrophobicContact CB-CB 4.27Å; L61-A436 HydrophobicContact CD1-CB 3.82Å; L61-A436 HydrophobicContact CG-CB 3.72Å; T65-A436 HydrophobicContact CG2-CB 3.68Å; G432-A436 PolarHBondContact O-N 2.89Å; G432-A436 VanDerWaalsContact O-N 3.13Å; V433-A436 PolarHBondContact O-N 2.8Å; V433-A436 VanDerWaalsContact O-N 3.11Å
437L97.7Very high98.4Very high41 Ų4123.8 Ų23.822%0.21513%0.128CC..  trans-134.173.7-172.6-58.7173.6000110.8A64 Y390 V433 K434 M435 E439 E440A64-L437 HydrophobicContact CB-CD1 4.04Å; Y390-L437 HydrophobicContact CD1-CD1 4.49Å; Y390-L437 HydrophobicContact CD2-CD1 4.45Å; Y390-L437 HydrophobicContact CE1-CD1 3.76Å; Y390-L437 HydrophobicContact CE2-CD1 3.71Å; Y390-L437 VanDerWaalsContact OH-CD1 3.25Å; Y390-L437 WeakPolarHBondContact OH-CD1 3.45Å; V433-L437 HydrophobicContact CG1-CD1 4.35Å; V433-L437 PolarHBondContact O-N 2.9Å; K434-L437 CarbonylContact O-C 3.59Å; K434-L437 VanDerWaalsContact O-C 3.32Å; M435-L437 VanDerWaalsContact C-N 3.34Å; L437-E439 PolarHBondContact O-N 3.39Å; L437-E439 VanDerWaalsContact O-N 3.17Å; L437-E440 HydrophobicContact CB-CB 3.96Å; L437-E440 HydrophobicContact CB-CG 3.73Å; L437-E440 HydrophobicContact CD1-CG 4.28Å; L437-E440 HydrophobicContact CG-CG 4.48Å; L437-E440 PolarHBondContact O-N 3.38Å; L437-E440 VanDerWaalsContact O-N 3.12Å
438P97.1Very high98.3Very high79 Ų7923.8 Ų23.851%0.51313%0.128SC..THydrogen-bonded Turntrans-61.3-28.3-171.7-25.936.1000114.7K434K434-P438 WeakPolarHBondContact CE-O 3.42Å; K434-P438 PolarHBondContact NZ-O 2.91Å; K434-P438 VanDerWaalsContact O-CA 3.31Å; K434-P438 WeakPolarHBondContact O-CA 3.33Å
439E97.3Very high98.1Very high177 Ų17724.1 Ų24.183%0.82713%0.132SC*.THydrogen-bonded Turntrans-84.6-15.5-178.4-56.5-53.7128.100113.2L437L437-E439 PolarHBondContact O-N 3.39Å; L437-E439 VanDerWaalsContact O-N 3.17Å
440E98.1Very high98.1Very high65 Ų6524.3 Ų24.330%0.30413%0.134SC..SBendtrans-82.9147.8-172.2-65.8-70.1178.300111.8Y390 K434 L437 V442Y390-E440 HydrophobicContact CD2-CB 3.87Å; Y390-E440 HydrophobicContact CD2-CG 4.29Å; Y390-E440 HydrophobicContact CE2-CB 3.82Å; Y390-E440 HydrophobicContact CE2-CG 3.71Å; K434-E440 PolarHBondContact NZ-O 3.5Å; L437-E440 HydrophobicContact CB-CB 3.96Å; L437-E440 HydrophobicContact CB-CG 3.73Å; L437-E440 HydrophobicContact CD1-CG 4.28Å; L437-E440 HydrophobicContact CG-CG 4.48Å; L437-E440 PolarHBondContact O-N 3.38Å; L437-E440 VanDerWaalsContact O-N 3.12Å; E440-V442 PolarHBondContact O-N 3.32Å
441T98.5Very high98Very high50 Ų5024.5 Ų24.531%0.30713%0.134SC..  trans-77.7122173.2-61.30000109.5T385 A389 Y390 V443 L532T385-T441 HydrophobicContact CG2-CG2 4.33Å; A389-T441 WeakPolarHBondContact CA-O 3.46Å; A389-T441 HydrophobicContact CB-CG2 4.03Å; Y390-T441 PolarHBondContact N-O 3.15Å; T441-V443 HydrophobicContact CG2-CG2 4.36Å; T441-L532 HydrophobicContact CG2-CD2 4.17Å
442V98.9Very high97.9Very high0 Ų027.6 Ų27.60%015%0.149CC..EExtended strand (participates in β ladder)trans-118.3126179.8-172.90000109.9Y390 A430 V433 K434 E440 V468 L469Y390-V442 CarbonylContact O-C 3.57Å; Y390-V442 WeakPolarHBondContact O-CA 3.03Å; A430-V442 HydrophobicContact CB-CG1 3.68Å; V433-V442 HydrophobicContact CB-CG1 4.27Å; V433-V442 HydrophobicContact CB-CG2 4.26Å; V433-V442 HydrophobicContact CG1-CG1 4.32Å; V433-V442 HydrophobicContact CG1-CG2 3.67Å; K434-V442 HydrophobicContact CB-CG2 4.17Å; K434-V442 HydrophobicContact CD-CG2 3.98Å; E440-V442 PolarHBondContact O-N 3.32Å; V442-V468 HydrophobicContact CB-CG2 4.33Å; V442-V468 HydrophobicContact CG1-CG1 4.43Å; V442-V468 HydrophobicContact CG1-CG2 4.36Å; V442-L469 PolarHBondContact O-N 2.87Å
443V98.9Very high97.9Very high2 Ų232.3 Ų32.31%0.01217%0.172CC..EExtended strand (participates in β ladder)trans-120.8125.2179.3-175.80000109.1L381 T385 A389 Y390 V391 T392 T441 V445 L469 V471L381-V443 HydrophobicContact CD1-CG1 4.24Å; L381-V443 HydrophobicContact CD2-CG1 4.41Å; T385-V443 HydrophobicContact CG2-CG2 4.36Å; A389-V443 HydrophobicContact CB-CG2 4.01Å; Y390-V443 PolarHBondContact O-N 2.74Å; V391-V443 CarbonylContact C-O 3.56Å; V391-V443 VanDerWaalsContact CA-O 3.29Å; V391-V443 WeakPolarHBondContact CA-O 3.39Å; T392-V443 PolarHBondContact N-O 3.13Å; T441-V443 HydrophobicContact CG2-CG2 4.36Å; V443-V445 HydrophobicContact CG1-CG2 4.23Å; V443-L469 CarbonylContact C-O 3.58Å; V443-L469 VanDerWaalsContact CA-O 3.3Å; V443-L469 WeakPolarHBondContact CA-O 3.3Å; V443-L469 HydrophobicContact CG1-CB 4.46Å; V443-L469 HydrophobicContact CG1-CD2 4.39Å; V443-L469 HydrophobicContact CG1-CG 4.36Å; V443-L469 HydrophobicContact CG2-CB 4.24Å; V443-L469 HydrophobicContact CG2-CD2 4.28Å; V443-V471 HydrophobicContact CG1-CG2 4.04Å
444C98.9Very high97.9Very high0 Ų032.5 Ų32.50%017%0.173CC..EExtended strand (participates in β ladder)trans-98.9112.9170.2174.20000109.3T392 L427 A430 V468 L469 V470 V471T392-C444 WeakPolarHBondContact OG1-CA 3.38Å; T392-C444 WeakPolarHBondContact OG1-CB 3.29Å; L427-C444 PolarHBondContact N-SG 2.83Å; L427-C444 VanDerWaalsContact N-SG 3.38Å; A430-C444 HydrophobicContact CB-CB 4.04Å; C444-V468 HydrophobicContact CB-CG1 4.27Å; C444-L469 PolarHBondContact N-O 2.86Å; C444-V470 HydrophobicContact CB-CG2 4.39Å; C444-V471 PolarHBondContact O-N 2.92Å
445V98.9Very high97.8Very high2 Ų232.7 Ų32.71%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-93.9110171.5179.40000108.9I378 L381 V391 T392 S393 D394 H398 A402 V443 L473I378-V445 HydrophobicContact CD1-CG1 3.71Å; I378-V445 HydrophobicContact CD1-CG2 4.03Å; L381-V445 HydrophobicContact CD1-CG2 4.19Å; V391-V445 HydrophobicContact CG1-CG2 3.93Å; T392-V445 PolarHBondContact O-N 3.45Å; S393-V445 VanDerWaalsContact CA-O 3.26Å; S393-V445 WeakPolarHBondContact CA-O 3.37Å; S393-V445 WeakPolarHBondContact CB-O 3.45Å; S393-V445 PolarHBondContact OG-O 3.39Å; D394-V445 PolarHBondContact N-O 3.15Å; H398-V445 HydrophobicContact CB-CG1 4.28Å; H398-V445 PolarHBondContact CD2-O 3.44Å; A402-V445 HydrophobicContact CB-CB 4.3Å; A402-V445 HydrophobicContact CB-CG1 4.17Å; A402-V445 HydrophobicContact CB-CG2 4.5Å; V443-V445 HydrophobicContact CG1-CG2 4.23Å; V445-L473 HydrophobicContact CG1-CD1 4.24Å; V445-L473 HydrophobicContact CG1-CG 4.4Å
446T98.8Very high97.9Very high0 Ų033.5 Ų33.50%018%0.178CC..EExtended strand (participates in β ladder)trans-123.9175.7-176.1-169.70000111.8D394 I451 V470 V471 N472 L473D394-T446 VanDerWaalsContact OD2-CB 3.32Å; D394-T446 WeakPolarHBondContact OD2-CB 3.45Å; D394-T446 PolarHBondContact OD2-OG1 3.17Å; T446-I451 HydrophobicContact CG2-CB 3.85Å; T446-I451 HydrophobicContact CG2-CD1 4.16Å; T446-I451 HydrophobicContact CG2-CG1 4.14Å; T446-I451 PolarHBondContact OG1-N 3.28Å; T446-V470 HydrophobicContact CG2-CG1 4.02Å; T446-V471 PolarHBondContact N-O 2.86Å; T446-N472 HydrophobicContact CG2-CB 4.01Å; T446-L473 PolarHBondContact O-N 2.85Å
447G98Very high98Very high4 Ų432.2 Ų32.24%0.04117%0.168CC..EExtended strand (participates in β ladder)trans-126.5160.1170.100000110.7H398 G449 S450 I451 N472H398-G447 PolarHBondContact CE1-N 2.97Å; H398-G447 PolarHBondContact ND1-N 3.48Å; G447-G449 VanDerWaalsContact C-N 3.25Å; G447-G449 PolarHBondContact O-N 3.45Å; G447-G449 VanDerWaalsContact O-N 3.16Å; G447-S450 PolarHBondContact O-N 3.44Å; G447-I451 PolarHBondContact O-N 3.49Å; G447-N472 WeakPolarHBondContact CA-OD1 3.4Å; G447-N472 PolarHBondContact O-OD1 2.75Å
448D96.7Very high98Very high2 Ų230.3 Ų30.31%0.01116%0.158CC..Hα-helixtrans-59.4-33.1-169.349.1-68.4000113.6Q452 N472 N475 R476 Y477 L501 F504D448-Q452 PolarHBondContact O-NE2 3.03Å; D448-N472 WeakPolarHBondContact CA-OD1 3.47Å; D448-N472 PolarHBondContact N-OD1 2.79Å; D448-N475 PolarHBondContact OD1-N 2.89Å; D448-N475 VanDerWaalsContact OD1-N 3.15Å; D448-N475 PolarHBondContact OD1-OD1 3.04Å; D448-R476 VanDerWaalsContact OD2-CA 3.29Å; D448-R476 WeakPolarHBondContact OD2-CA 3.23Å; D448-R476 PolarHBondContact OD2-N 3.29Å; D448-Y477 PolarHBondContact OD2-N 3.4Å; D448-L501 HydrophobicContact CB-CD1 3.91Å; D448-L501 HydrophobicContact CB-CD2 4.03Å; D448-L501 WeakPolarHBondContact OD2-CD1 3.28Å; D448-F504 HydrophobicContact CB-CE2 3.95Å; D448-F504 HydrophobicContact CB-CZ 4.06Å
449G96.4Very high98.1Very high8 Ų828.6 Ų28.68%0.08215%0.147CC..Hα-helixtrans-75.1-34.4173.100000114.2G447 M498G447-G449 VanDerWaalsContact C-N 3.25Å; G447-G449 PolarHBondContact O-N 3.45Å; G447-G449 VanDerWaalsContact O-N 3.16Å; G449-M498 VanDerWaalsContact CA-SD 3.56Å
450S97.9Very high98.2Very high4 Ų420.1 Ų20.13%0.02811%0.108CC..Hα-helixtrans-78.2-44.3-175.7-60.70000112.1D394 V395 M423 G447 Q452 M453D394-S450 VanDerWaalsContact CB-CB 3.41Å; D394-S450 VanDerWaalsContact CG-CB 3.48Å; V395-S450 PolarHBondContact O-OG 3.41Å; M423-S450 WeakPolarHBondContact CE-OG 3.2Å; G447-S450 PolarHBondContact O-N 3.44Å; S450-Q452 PolarHBondContact O-N 3.08Å; S450-M453 WeakPolarHBondContact O-CB 3.3Å; S450-M453 PolarHBondContact O-N 3.32Å
451I98.1Very high98.2Very high3 Ų317 Ų172%0.0159%0.094CC..Hα-helixtrans-59.4-35.4-177-169.655.3000112L427 T446 G447 M453 N454 I455 V470 F504 F542L427-I451 HydrophobicContact CB-CD1 4.1Å; L427-I451 HydrophobicContact CD2-CD1 4.08Å; T446-I451 HydrophobicContact CG2-CB 3.85Å; T446-I451 HydrophobicContact CG2-CD1 4.16Å; T446-I451 HydrophobicContact CG2-CG1 4.14Å; T446-I451 PolarHBondContact OG1-N 3.28Å; G447-I451 PolarHBondContact O-N 3.49Å; I451-M453 PolarHBondContact O-N 3.07Å; I451-N454 PolarHBondContact O-N 3.36Å; I451-I455 HydrophobicContact CG1-CD1 4.19Å; I451-I455 HydrophobicContact CG1-CG1 4.43Å; I451-I455 WeakPolarHBondContact O-CA 3.39Å; I451-I455 WeakPolarHBondContact O-CB 3.27Å; I451-I455 PolarHBondContact O-N 2.92Å; I451-V470 HydrophobicContact CD1-CG1 4.33Å; I451-F504 HydrophobicContact CG2-CD1 4.36Å; I451-F504 HydrophobicContact CG2-CE1 3.62Å; I451-F504 HydrophobicContact CG2-CZ 3.99Å; I451-F542 HydrophobicContact CD1-CE2 4.2Å; I451-F542 HydrophobicContact CG1-CE2 3.75Å; I451-F542 HydrophobicContact CG1-CZ 3.95Å
452Q96.7Very high98.2Very high66 Ų6618.7 Ų18.731%0.30810%0.1SC..THydrogen-bonded Turntrans-65-18.4178.8-74.9-178.79200114.1D448 S450 N454 F504D448-Q452 PolarHBondContact O-NE2 3.03Å; S450-Q452 PolarHBondContact O-N 3.08Å; Q452-N454 VanDerWaalsContact C-N 3.31Å; Q452-N454 PolarHBondContact O-N 3.49Å; Q452-F504 HydrophobicContact CG-CE1 4Å; Q452-F504 HydrophobicContact CG-CZ 4.21Å
453M97.5Very high98.1Very high98 Ų9823.1 Ų23.148%0.48312%0.121SC..THydrogen-bonded Turntrans-70.8-27.5-179.9-65.9-16117600113.1M423 S450 I451M423-M453 HydrophobicContact CB-CE 3.67Å; M423-M453 HydrophobicContact CB-CG 4.49Å; M423-M453 HydrophobicContact CB-SD 3.31Å; M423-M453 WeakPolarHBondContact CB-SD 3.5Å; M423-M453 HydrophobicContact CE-CE 3.56Å; M423-M453 HydrophobicContact CE-SD 4.49Å; M423-M453 HydrophobicContact CG-CE 4.31Å; M423-M453 HydrophobicContact SD-CE 3.69Å; S450-M453 WeakPolarHBondContact O-CB 3.3Å; S450-M453 PolarHBondContact O-N 3.32Å; I451-M453 PolarHBondContact O-N 3.07Å
454N98Very high98.1Very high5 Ų526 Ų263%0.02713%0.132CC..SBendtrans-140.729.5179.3-74.9-63.6000113.5G424 L428 I451 Q452 Q456 E457G424-N454 PolarHBondContact O-ND2 3.03Å; L428-N454 HydrophobicContact CD1-CB 3.99Å; L428-N454 HydrophobicContact CD2-CB 4.01Å; L428-N454 HydrophobicContact CG-CB 4.18Å; I451-N454 PolarHBondContact O-N 3.36Å; Q452-N454 VanDerWaalsContact C-N 3.31Å; Q452-N454 PolarHBondContact O-N 3.49Å; N454-Q456 VanDerWaalsContact CA-OE1 3.27Å; N454-Q456 PolarHBondContact O-N 2.78Å; N454-Q456 VanDerWaalsContact O-N 3.17Å; N454-Q456 PolarHBondContact OD1-NE2 2.87Å; N454-Q456 VanDerWaalsContact OD1-NE2 3.12Å; N454-E457 PolarHBondContact O-N 3.12Å; N454-E457 VanDerWaalsContact O-N 3.15Å
455I98.1Very high98Very high20 Ų2032.7 Ų32.710%0.10316%0.163CC..G310 helixtrans-63.3-23.3-176.2-161.5157.2000113.2I451 E457 L458 F504 L507I451-I455 HydrophobicContact CG1-CD1 4.19Å; I451-I455 HydrophobicContact CG1-CG1 4.43Å; I451-I455 WeakPolarHBondContact O-CA 3.39Å; I451-I455 WeakPolarHBondContact O-CB 3.27Å; I451-I455 PolarHBondContact O-N 2.92Å; I455-E457 PolarHBondContact O-N 2.77Å; I455-E457 VanDerWaalsContact O-N 3.09Å; I455-L458 HydrophobicContact CD1-CD1 4.48Å; I455-L458 HydrophobicContact CG1-CD1 3.77Å; I455-L458 HydrophobicContact CG1-CG 4.33Å; I455-L458 WeakPolarHBondContact O-CB 3.22Å; I455-L458 VanDerWaalsContact O-CG 3.31Å; I455-L458 WeakPolarHBondContact O-CG 3.35Å; I455-L458 PolarHBondContact O-N 3Å; I455-F504 HydrophobicContact CD1-CD1 4.07Å; I455-F504 HydrophobicContact CD1-CE1 4.17Å; I455-L507 HydrophobicContact CD1-CD2 3.41Å; I455-L507 VanDerWaalsContact CD1-CD2 3.41Å; I455-L507 HydrophobicContact CD1-CG 4.24Å; I455-L507 HydrophobicContact CG1-CD2 4.23Å
456Q98.3Very high98Very high51 Ų5133.2 Ų33.224%0.23817%0.166CC..G310 helixtrans-58.8-22.3176.571.9-75.1-10.100113.2R49 N454 L458 S459R49-Q456 HydrophobicContact CB-CB 4.43Å; R49-Q456 HydrophobicContact CB-CG 3.75Å; R49-Q456 HydrophobicContact CG-CG 4.45Å; N454-Q456 VanDerWaalsContact CA-OE1 3.27Å; N454-Q456 PolarHBondContact O-N 2.78Å; N454-Q456 VanDerWaalsContact O-N 3.17Å; N454-Q456 PolarHBondContact OD1-NE2 2.87Å; N454-Q456 VanDerWaalsContact OD1-NE2 3.12Å; Q456-L458 PolarHBondContact O-N 3.03Å; Q456-S459 WeakPolarHBondContact O-CB 3.39Å; Q456-S459 PolarHBondContact O-N 3.09Å
457E98.7Very high97.9Very high0 Ų033.6 Ų33.60%017%0.168CC..G310 helixtrans-75-3.7179-58.4-63.3156.500113.1R49 H50 A53 L427 L428 L431 N454 I455 S459 T460 A461R49-E457 VanDerWaalsContact CA-OE1 3.25Å; R49-E457 WeakPolarHBondContact CA-OE1 3.3Å; R49-E457 VanDerWaalsContact CB-OE1 3.23Å; R49-E457 WeakPolarHBondContact CB-OE1 3.41Å; R49-E457 VanDerWaalsContact N-CD 3.34Å; R49-E457 PolarHBondContact N-OE1 3.38Å; R49-E457 PolarHBondContact N-OE2 2.89Å; H50-E457 PolarHBondContact N-OE1 2.98Å; A53-E457 HydrophobicContact CB-CG 3.61Å; A53-E457 WeakPolarHBondContact CB-OE1 3.22Å; L427-E457 HydrophobicContact CD2-CB 4.35Å; L428-E457 HydrophobicContact CD2-CB 3.79Å; L428-E457 HydrophobicContact CD2-CG 3.44Å; L428-E457 VanDerWaalsContact CD2-CG 3.44Å; L431-E457 HydrophobicContact CD1-CB 4.31Å; N454-E457 PolarHBondContact O-N 3.12Å; N454-E457 VanDerWaalsContact O-N 3.15Å; I455-E457 PolarHBondContact O-N 2.77Å; I455-E457 VanDerWaalsContact O-N 3.09Å; E457-S459 PolarHBondContact O-N 2.84Å; E457-T460 WeakPolarHBondContact O-CA 3.38Å; E457-T460 WeakPolarHBondContact O-CB 3.38Å; E457-T460 PolarHBondContact O-N 3.21Å; E457-T460 VanDerWaalsContact OE2-CB 3.27Å; E457-T460 WeakPolarHBondContact OE2-CB 3.47Å; E457-T460 PolarHBondContact OE2-OG1 3.05Å; E457-A461 PolarHBondContact O-N 3.19Å
458L98.7Very high98Very high1 Ų133.4 Ų33.41%0.00517%0.166CC..Hα-helixtrans-56.1-32.6158.8-69.2179.4000111.1L427 I455 Q456 T460 A461 L462 Y511 H513 L540 F542L427-L458 HydrophobicContact CD1-CD2 4.39Å; L427-L458 HydrophobicContact CD2-CD2 4.18Å; L427-L458 HydrophobicContact CD2-CG 4.3Å; I455-L458 HydrophobicContact CD1-CD1 4.48Å; I455-L458 HydrophobicContact CG1-CD1 3.77Å; I455-L458 HydrophobicContact CG1-CG 4.33Å; I455-L458 WeakPolarHBondContact O-CB 3.22Å; I455-L458 VanDerWaalsContact O-CG 3.31Å; I455-L458 WeakPolarHBondContact O-CG 3.35Å; I455-L458 PolarHBondContact O-N 3Å; Q456-L458 PolarHBondContact O-N 3.03Å; L458-T460 VanDerWaalsContact C-N 3.35Å; L458-A461 PolarHBondContact O-N 2.85Å; L458-L462 PolarHBondContact O-N 2.8Å; L458-Y511 HydrophobicContact CB-CD1 4.22Å; L458-Y511 HydrophobicContact CB-CD2 3.74Å; L458-Y511 HydrophobicContact CB-CE2 4.3Å; L458-Y511 HydrophobicContact CB-CG 3.7Å; L458-Y511 HydrophobicContact CD1-CD2 3.72Å; L458-Y511 HydrophobicContact CD1-CE2 4.27Å; L458-Y511 HydrophobicContact CD1-CG 4.42Å; L458-Y511 HydrophobicContact CG-CD2 4.36Å; L458-H513 PolarHBondContact O-NE2 3.16Å; L458-L540 HydrophobicContact CD2-CD1 4.09Å; L458-L540 HydrophobicContact CD2-CD2 3.87Å; L458-F542 HydrophobicContact CD1-CD2 4.44Å
459S98.5Very high98.1Very high42 Ų4233.3 Ų33.329%0.29417%0.166SC..Hα-helixtrans-64-39.5171.9-1760000112.3Q456 E457 L462 Q463Q456-S459 WeakPolarHBondContact O-CB 3.39Å; Q456-S459 PolarHBondContact O-N 3.09Å; E457-S459 PolarHBondContact O-N 2.84Å; S459-L462 PolarHBondContact O-N 2.91Å; S459-Q463 PolarHBondContact O-N 2.94Å; S459-Q463 VanDerWaalsContact O-N 3.08Å
460T98.6Very high98.2Very high0 Ų033 Ų330%016%0.162CC..Hα-helixtrans-65.7-43.3175.6-59.90000110.3M57 E457 L458 L462 Q463 Y464M57-T460 HydrophobicContact CE-CG2 4.27Å; M57-T460 HydrophobicContact SD-CG2 4.24Å; E457-T460 WeakPolarHBondContact O-CA 3.38Å; E457-T460 WeakPolarHBondContact O-CB 3.38Å; E457-T460 PolarHBondContact O-N 3.21Å; E457-T460 VanDerWaalsContact OE2-CB 3.27Å; E457-T460 WeakPolarHBondContact OE2-CB 3.47Å; E457-T460 PolarHBondContact OE2-OG1 3.05Å; L458-T460 VanDerWaalsContact C-N 3.35Å; T460-L462 VanDerWaalsContact C-N 3.29Å; T460-L462 PolarHBondContact O-N 3.28Å; T460-Q463 PolarHBondContact O-N 2.92Å; T460-Y464 HydrophobicContact CG2-CD2 3.95Å; T460-Y464 HydrophobicContact CG2-CE2 4.24Å; T460-Y464 WeakPolarHBondContact O-CD2 3.32Å; T460-Y464 PolarHBondContact O-N 2.83Å; T460-Y464 VanDerWaalsContact O-N 3.15Å
461A98.6Very high98.3Very high0 Ų032.8 Ų32.80%016%0.161CC..Hα-helixtrans-59-38.4176.500000113.1L431 E457 L458 E465 L466 L540L431-A461 HydrophobicContact CD1-CB 4.06Å; L431-A461 HydrophobicContact CD2-CB 3.53Å; L431-A461 HydrophobicContact CG-CB 4.46Å; E457-A461 PolarHBondContact O-N 3.19Å; L458-A461 PolarHBondContact O-N 2.85Å; A461-E465 WeakPolarHBondContact O-CA 3.37Å; A461-E465 PolarHBondContact O-N 2.77Å; A461-E465 VanDerWaalsContact O-N 3.08Å; A461-L466 PolarHBondContact O-N 3.21Å; A461-L540 HydrophobicContact CB-CD1 3.46Å; A461-L540 VanDerWaalsContact CB-CD1 3.46Å
462L98.2Very high98.3Very high85 Ų8532.6 Ų32.645%0.44516%0.16SC..Hα-helixtrans-67.7-47.2175-172.376.5000111.3L458 S459 T460 Y464 E465 Y511L458-L462 PolarHBondContact O-N 2.8Å; S459-L462 PolarHBondContact O-N 2.91Å; T460-L462 VanDerWaalsContact C-N 3.29Å; T460-L462 PolarHBondContact O-N 3.28Å; L462-Y464 PolarHBondContact O-N 3.14Å; L462-E465 PolarHBondContact O-N 3.28Å; L462-E465 VanDerWaalsContact O-N 3.12Å; L462-Y511 WeakPolarHBondContact CD2-O 3.22Å
463Q98.1Very high98.4Very high93 Ų9329.8 Ų29.844%0.43515%0.147SC..Hα-helixtrans-57.6-34.3-176.8-178.9177.9-2900112.6S459 T460S459-Q463 PolarHBondContact O-N 2.94Å; S459-Q463 VanDerWaalsContact O-N 3.08Å; T460-Q463 PolarHBondContact O-N 2.92Å
464Y97.8Very high98.4Very high62 Ų6225.9 Ų25.924%0.24313%0.128CC..THydrogen-bonded Turntrans-107.111.3-178.7-67.1-77.8000113.6H45 V46 L47 M435 T460 L462 L466H45-Y464 PolarHBondContact O-OH 2.75Å; H45-Y464 VanDerWaalsContact O-OH 3.05Å; V46-Y464 WeakPolarHBondContact CA-OH 3.43Å; V46-Y464 HydrophobicContact CG1-CD2 4.05Å; V46-Y464 HydrophobicContact CG1-CE2 3.81Å; L47-Y464 PolarHBondContact N-OH 3.29Å; M435-Y464 HydrophobicContact CE-CD1 3.64Å; M435-Y464 HydrophobicContact CE-CD2 4.45Å; M435-Y464 HydrophobicContact CE-CE1 4.34Å; M435-Y464 HydrophobicContact CE-CG 3.72Å; T460-Y464 HydrophobicContact CG2-CD2 3.95Å; T460-Y464 HydrophobicContact CG2-CE2 4.24Å; T460-Y464 WeakPolarHBondContact O-CD2 3.32Å; T460-Y464 PolarHBondContact O-N 2.83Å; T460-Y464 VanDerWaalsContact O-N 3.15Å; L462-Y464 PolarHBondContact O-N 3.14Å; Y464-L466 WeakPolarHBondContact O-CD2 3.41Å; Y464-L466 PolarHBondContact O-N 2.73Å
465E97.5Very high98.3Very high141 Ų14126.7 Ų26.766%0.65913%0.132SC*.THydrogen-bonded Turntrans47.353.4178.4-57.5-175.2141.100113A461 L462 P467A461-E465 WeakPolarHBondContact O-CA 3.37Å; A461-E465 PolarHBondContact O-N 2.77Å; A461-E465 VanDerWaalsContact O-N 3.08Å; L462-E465 PolarHBondContact O-N 3.28Å; L462-E465 VanDerWaalsContact O-N 3.12Å; E465-P467 WeakPolarHBondContact O-CD 3.48Å
466L98.3Very high98.2Very high13 Ų1332.3 Ų32.37%0.06815%0.152CC..  trans-96.599-174-59.3177.1000111.4L431 K434 M435 A461 Y464 V468L431-L466 HydrophobicContact CB-CD1 3.92Å; L431-L466 HydrophobicContact CD2-CB 3.96Å; L431-L466 HydrophobicContact CD2-CD1 3.97Å; L431-L466 HydrophobicContact CG-CD1 4.41Å; K434-L466 HydrophobicContact CG-CB 4.36Å; K434-L466 HydrophobicContact CG-CD2 4.44Å; M435-L466 HydrophobicContact CE-CD1 4.44Å; M435-L466 HydrophobicContact CE-CD2 4.36Å; M435-L466 HydrophobicContact CG-CD1 3.68Å; M435-L466 HydrophobicContact CG-CD2 3.49Å; M435-L466 VanDerWaalsContact CG-CD2 3.49Å; M435-L466 HydrophobicContact CG-CG 4.25Å; M435-L466 HydrophobicContact SD-CD1 4.04Å; A461-L466 PolarHBondContact O-N 3.21Å; Y464-L466 WeakPolarHBondContact O-CD2 3.41Å; Y464-L466 PolarHBondContact O-N 2.73Å; L466-V468 PolarHBondContact O-N 3.19Å
467P98.3Very high98Very high8 Ų833.3 Ų33.35%0.05215%0.154CC..  trans-79.297.5-176.333.5-36.3000110.6K434 E465 V535 N538 R539K434-P467 VanDerWaalsContact CE-CG 3.42Å; K434-P467 VanDerWaalsContact CE-O 3.25Å; K434-P467 WeakPolarHBondContact CE-O 3.15Å; E465-P467 WeakPolarHBondContact O-CD 3.48Å; P467-V535 HydrophobicContact CB-CG1 4.21Å; P467-V535 WeakPolarHBondContact CB-O 3.46Å; P467-N538 WeakPolarHBondContact CG-OD1 3.34Å; P467-R539 WeakPolarHBondContact CB-O 3.49Å
468V98.8Very high97.9Very high0 Ų035.6 Ų35.60%017%0.166CC..  trans-110.3143.3173172.90000108.9A430 L431 K434 V442 C444 L466 V470 L540 V541A430-V468 HydrophobicContact CB-CG1 3.73Å; A430-V468 HydrophobicContact CB-CG2 4.21Å; L431-V468 HydrophobicContact CD2-CG2 4.04Å; K434-V468 HydrophobicContact CB-CG2 3.97Å; K434-V468 HydrophobicContact CG-CG2 4.25Å; V442-V468 HydrophobicContact CB-CG2 4.33Å; V442-V468 HydrophobicContact CG1-CG1 4.43Å; V442-V468 HydrophobicContact CG1-CG2 4.36Å; C444-V468 HydrophobicContact CB-CG1 4.27Å; L466-V468 PolarHBondContact O-N 3.19Å; V468-V470 HydrophobicContact CG1-CG2 4.17Å; V468-L540 HydrophobicContact CB-CD1 4.33Å; V468-L540 WeakPolarHBondContact O-CA 3.32Å; V468-L540 WeakPolarHBondContact O-CG 3.48Å; V468-V541 PolarHBondContact O-N 3.06Å; V468-V541 VanDerWaalsContact O-N 3.08Å
469L98.9Very high97.8Very high0 Ų035.9 Ų35.90%017%0.17CC..EExtended strand (participates in β ladder)trans-87.9108.4165.7178.856000109.1L381 V442 V443 C444 V471 A531 L532 V535 V541 V543L381-L469 HydrophobicContact CD2-CD2 3.94Å; V442-L469 PolarHBondContact O-N 2.87Å; V443-L469 CarbonylContact C-O 3.58Å; V443-L469 VanDerWaalsContact CA-O 3.3Å; V443-L469 WeakPolarHBondContact CA-O 3.3Å; V443-L469 HydrophobicContact CG1-CB 4.46Å; V443-L469 HydrophobicContact CG1-CD2 4.39Å; V443-L469 HydrophobicContact CG1-CG 4.36Å; V443-L469 HydrophobicContact CG2-CB 4.24Å; V443-L469 HydrophobicContact CG2-CD2 4.28Å; C444-L469 PolarHBondContact N-O 2.86Å; L469-V471 HydrophobicContact CD1-CG2 4.22Å; L469-V471 HydrophobicContact CD2-CG2 4.08Å; L469-V471 HydrophobicContact CG-CG2 3.75Å; L469-A531 HydrophobicContact CD1-CB 3.64Å; L469-L532 HydrophobicContact CD2-CD2 3.62Å; L469-L532 HydrophobicContact CD2-CG 3.92Å; L469-V535 HydrophobicContact CB-CG2 4.02Å; L469-V541 HydrophobicContact CD1-CB 4.15Å; L469-V541 HydrophobicContact CD1-CG1 4.44Å; L469-V543 HydrophobicContact CD1-CG2 3.59Å
470V98.9Very high97.7Very high0 Ų035.9 Ų35.90%017%0.165CC..EExtended strand (participates in β ladder)trans-92.4119.4172.2-174.90000108.4L427 C444 T446 I451 V468 L540 V541 F542 V543L427-V470 HydrophobicContact CD1-CG2 3.85Å; C444-V470 HydrophobicContact CB-CG2 4.39Å; T446-V470 HydrophobicContact CG2-CG1 4.02Å; I451-V470 HydrophobicContact CD1-CG1 4.33Å; V468-V470 HydrophobicContact CG1-CG2 4.17Å; V470-L540 HydrophobicContact CG2-CD2 4.37Å; V470-V541 PolarHBondContact N-O 2.92Å; V470-F542 HydrophobicContact CB-CD2 3.91Å; V470-F542 HydrophobicContact CB-CE2 4.31Å; V470-F542 HydrophobicContact CB-CG 4.39Å; V470-F542 HydrophobicContact CG1-CD2 3.76Å; V470-F542 HydrophobicContact CG1-CE2 3.63Å; V470-F542 HydrophobicContact CG1-CG 4.47Å; V470-F542 HydrophobicContact CG1-CZ 4.23Å; V470-V543 PolarHBondContact O-N 3.27Å
471V98.9Very high97.6Very high0 Ų039.3 Ų39.30%019%0.186CC..EExtended strand (participates in β ladder)trans-113.1104.3177.2-172.90000108.7V377 L381 V443 C444 T446 L469 L473 V545V377-V471 HydrophobicContact CG1-CG1 3.95Å; L381-V471 HydrophobicContact CD1-CB 4.36Å; L381-V471 HydrophobicContact CD1-CG1 4.3Å; L381-V471 HydrophobicContact CD1-CG2 4.02Å; L381-V471 HydrophobicContact CD2-CG2 4.13Å; V443-V471 HydrophobicContact CG1-CG2 4.04Å; C444-V471 PolarHBondContact O-N 2.92Å; T446-V471 PolarHBondContact N-O 2.86Å; L469-V471 HydrophobicContact CD1-CG2 4.22Å; L469-V471 HydrophobicContact CD2-CG2 4.08Å; L469-V471 HydrophobicContact CG-CG2 3.75Å; V471-L473 HydrophobicContact CG1-CD2 4.18Å; V471-V545 HydrophobicContact CG1-CG2 4Å
472N98.8Very high97.5Very high0 Ų040 Ų400%019%0.189CC..EExtended strand (participates in β ladder)trans-89.1113.7177-174.439.2000110.1T446 G447 D448 N474 F542 V543 D544 V545T446-N472 HydrophobicContact CG2-CB 4.01Å; G447-N472 WeakPolarHBondContact CA-OD1 3.4Å; G447-N472 PolarHBondContact O-OD1 2.75Å; D448-N472 WeakPolarHBondContact CA-OD1 3.47Å; D448-N472 PolarHBondContact N-OD1 2.79Å; N472-N474 VanDerWaalsContact C-N 3.33Å; N472-N474 PolarHBondContact O-N 2.96Å; N472-N474 VanDerWaalsContact O-N 3.09Å; N472-F542 HydrophobicContact CB-CE1 3.65Å; N472-F542 HydrophobicContact CB-CZ 3.8Å; N472-V543 PolarHBondContact N-O 2.95Å; N472-D544 PolarHBondContact ND2-OD1 2.86Å; N472-V545 PolarHBondContact O-N 2.87Å
473L98.7Very high97.3Very high6 Ų636 Ų363%0.03117%0.168CC..EExtended strand (participates in β ladder)trans-82.283.6171.5-57.7-170.1000108.9P374 V377 I378 H398 V445 T446 V471 N475 V545 V547P374-L473 HydrophobicContact CB-CD1 3.88Å; V377-L473 HydrophobicContact CB-CD2 3.95Å; V377-L473 HydrophobicContact CG1-CD2 3.78Å; V377-L473 HydrophobicContact CG2-CD2 4.02Å; I378-L473 HydrophobicContact CD1-CD1 4.26Å; H398-L473 HydrophobicContact CB-CB 4.25Å; H398-L473 HydrophobicContact CB-CD1 3.77Å; H398-L473 HydrophobicContact CB-CG 4.25Å; V445-L473 HydrophobicContact CG1-CD1 4.24Å; V445-L473 HydrophobicContact CG1-CG 4.4Å; T446-L473 PolarHBondContact O-N 2.85Å; V471-L473 HydrophobicContact CG1-CD2 4.18Å; L473-N475 PolarHBondContact O-N 3.23Å; L473-N475 VanDerWaalsContact O-N 3.17Å; L473-V545 HydrophobicContact CD2-CB 4.47Å; L473-V547 HydrophobicContact CB-CG1 4.44Å; L473-V547 HydrophobicContact CB-CG2 4.31Å; L473-V547 HydrophobicContact CD2-CG1 4.17Å
474N97.8Very high97.2Very high16 Ų1634.5 Ų34.59%0.08616%0.159CC..EExtended strand (participates in β ladder)trans-77.7100.5-174.6-173-13.3000110.4N472 R476 D544 V545 V547N472-N474 VanDerWaalsContact C-N 3.33Å; N472-N474 PolarHBondContact O-N 2.96Å; N472-N474 VanDerWaalsContact O-N 3.09Å; N474-R476 WeakPolarHBondContact OD1-CG 3.45Å; N474-R476 PolarHBondContact OD1-N 3.38Å; N474-D544 WeakPolarHBondContact CB-OD1 3.38Å; N474-D544 PolarHBondContact ND2-OD1 3.06Å; N474-D544 PolarHBondContact ND2-OD2 2.95Å; N474-V545 WeakPolarHBondContact CB-O 3.44Å; N474-V545 PolarHBondContact N-O 2.63Å; N474-V547 PolarHBondContact O-N 3.35Å
475N96.5Very high97Very high22 Ų2232.5 Ų32.512%0.11815%0.151CC..  trans-107-4.9178.677.48.6000112.6Q397 D448 L473 Y477 V547Q397-N475 PolarHBondContact OE1-ND2 3.5Å; D448-N475 PolarHBondContact OD1-N 2.89Å; D448-N475 VanDerWaalsContact OD1-N 3.15Å; D448-N475 PolarHBondContact OD1-OD1 3.04Å; L473-N475 PolarHBondContact O-N 3.23Å; L473-N475 VanDerWaalsContact O-N 3.17Å; N475-Y477 VanDerWaalsContact C-N 3.3Å; N475-Y477 WeakPolarHBondContact O-CD2 3.48Å; N475-Y477 WeakPolarHBondContact O-CE2 3.16Å; N475-Y477 WeakPolarHBondContact OD1-CA 3.39Å; N475-Y477 PolarHBondContact OD1-N 3.21Å; N475-Y477 PolarHBondContact OD1-O 2.68Å; N475-V547 HydrophobicContact CB-CG2 3.69Å
476R95.3Very high96.8Very high138 Ų13827.7 Ų27.752%0.52113%0.13SC..SBendtrans69.219-178.9-50-171.364.6161.33.7115.6D448 N474 M498 L501D448-R476 VanDerWaalsContact OD2-CA 3.29Å; D448-R476 WeakPolarHBondContact OD2-CA 3.23Å; D448-R476 PolarHBondContact OD2-N 3.29Å; N474-R476 WeakPolarHBondContact OD1-CG 3.45Å; N474-R476 PolarHBondContact OD1-N 3.38Å; R476-M498 PolarHBondContact O-N 3.02Å; R476-L501 HydrophobicContact CB-CD1 4.15Å; R476-L501 HydrophobicContact CG-CD1 4.02Å
477Y94.7Very high96.5Very high72 Ų7230 Ų3028%0.28214%0.141SC..BIsolated β-bridgetrans-141158.8-178.8-61.9-83.6000111.7D448 N475 G479 K482 S496D448-Y477 PolarHBondContact OD2-N 3.4Å; N475-Y477 VanDerWaalsContact C-N 3.3Å; N475-Y477 WeakPolarHBondContact O-CD2 3.48Å; N475-Y477 WeakPolarHBondContact O-CE2 3.16Å; N475-Y477 WeakPolarHBondContact OD1-CA 3.39Å; N475-Y477 PolarHBondContact OD1-N 3.21Å; N475-Y477 PolarHBondContact OD1-O 2.68Å; Y477-G479 PolarHBondContact O-N 2.71Å; Y477-K482 HydrophobicContact CD1-CD 3.57Å; Y477-K482 HydrophobicContact CD2-CD 3.83Å; Y477-K482 HydrophobicContact CE1-CD 4.01Å; Y477-K482 HydrophobicContact CE2-CD 4.28Å; Y477-K482 HydrophobicContact CG-CD 3.5Å; Y477-K482 VanDerWaalsContact CG-CD 3.5Å; Y477-S496 CarbonylContact C-O 3.51Å; Y477-S496 WeakPolarHBondContact CA-O 3.15Å; Y477-S496 WeakPolarHBondContact CB-O 3.46Å
478L96Very high96.1Very high49 Ų4933.1 Ų33.126%0.25716%0.157SC..  trans-72.174.3153.1-62.6179.8000108.6M423 M480 V481 K482 S496 M498M423-L478 HydrophobicContact CE-CD2 3.82Å; L478-M480 VanDerWaalsContact C-N 3.28Å; L478-M480 PolarHBondContact O-N 2.97Å; L478-M480 VanDerWaalsContact O-N 3.09Å; L478-V481 HydrophobicContact CB-CB 4.22Å; L478-V481 HydrophobicContact CB-CG2 4.28Å; L478-V481 WeakPolarHBondContact O-CB 3.17Å; L478-V481 PolarHBondContact O-N 2.86Å; L478-K482 PolarHBondContact O-N 2.95Å; L478-S496 PolarHBondContact N-O 3.35Å; L478-M498 HydrophobicContact CD2-CE 4.31Å; L478-M498 HydrophobicContact CD2-SD 4.27Å
479G96.2Very high95.8Very high7 Ų738.5 Ų38.57%0.07218%0.178CC..Hα-helixtrans-52.6-38.5-164.100000115.1Q397 Y477 K482 Q483Q397-G479 PolarHBondContact NE2-O 2.87Å; Y477-G479 PolarHBondContact O-N 2.71Å; G479-K482 PolarHBondContact O-N 2.64Å; G479-Q483 PolarHBondContact O-N 3.26Å
480M96.8Very high95.3Very high41 Ų4143.9 Ų43.920%0.20222%0.216CC..Hα-helixtrans-66.2-45.2178.5-177.857.571.800110.9Q397 M400 L478 K482 Q483 W484 V553Q397-M480 HydrophobicContact CG-CB 4.26Å; Q397-M480 HydrophobicContact CG-CE 4.25Å; M400-M480 HydrophobicContact CG-CE 3.99Å; L478-M480 VanDerWaalsContact C-N 3.28Å; L478-M480 PolarHBondContact O-N 2.97Å; L478-M480 VanDerWaalsContact O-N 3.09Å; M480-K482 VanDerWaalsContact C-N 3.34Å; M480-K482 PolarHBondContact O-N 3.29Å; M480-Q483 PolarHBondContact O-N 2.93Å; M480-W484 VanDerWaalsContact O-CD1 3.26Å; M480-W484 PolarHBondContact O-N 3.11Å; M480-V553 HydrophobicContact CE-CG2 4.46Å
481V96.6Very high94.8Very high72 Ų7245.4 Ų45.444%0.43623%0.231SC..Hα-helixtrans-63-43.3175.7-1800000110.5L478 Q483 W484 Q485L478-V481 HydrophobicContact CB-CB 4.22Å; L478-V481 HydrophobicContact CB-CG2 4.28Å; L478-V481 WeakPolarHBondContact O-CB 3.17Å; L478-V481 PolarHBondContact O-N 2.86Å; V481-Q483 VanDerWaalsContact C-N 3.35Å; V481-Q483 PolarHBondContact O-N 2.72Å; V481-W484 PolarHBondContact O-N 2.91Å; V481-Q485 WeakPolarHBondContact O-CG 3.38Å; V481-Q485 PolarHBondContact O-N 3.39Å
482K95.6Very high94.5Very high15 Ų1553.4 Ų53.47%0.06526%0.261CS..Hα-helixtrans-58.8-43.9176.4177.5-177.9166-60.30111.9Y477 L478 G479 M480 W484 Q485 D486 G549Y477-K482 HydrophobicContact CD1-CD 3.57Å; Y477-K482 HydrophobicContact CD2-CD 3.83Å; Y477-K482 HydrophobicContact CE1-CD 4.01Å; Y477-K482 HydrophobicContact CE2-CD 4.28Å; Y477-K482 HydrophobicContact CG-CD 3.5Å; Y477-K482 VanDerWaalsContact CG-CD 3.5Å; L478-K482 PolarHBondContact O-N 2.95Å; G479-K482 PolarHBondContact O-N 2.64Å; M480-K482 VanDerWaalsContact C-N 3.34Å; M480-K482 PolarHBondContact O-N 3.29Å; K482-W484 VanDerWaalsContact C-N 3.34Å; K482-W484 PolarHBondContact O-N 3.16Å; K482-Q485 CarbonylContact O-C 3.32Å; K482-Q485 WeakPolarHBondContact O-CA 3.47Å; K482-Q485 WeakPolarHBondContact O-CB 3.42Å; K482-Q485 PolarHBondContact O-N 2.98Å; K482-D486 IonicContact NZ-OD2 2.82Å; K482-D486 PolarHBondContact NZ-OD2 3.19Å; K482-D486 PolarHBondContact O-N 3.47Å; K482-G549 WeakPolarHBondContact CE-O 3.46Å; K482-G549 PolarHBondContact NZ-O 3.11Å
483Q95.8Very high94.2Very high0 Ų056.7 Ų56.70%028%0.276CS..Hα-helixtrans-57.6-46.2177.9174.1170-15.700111.8G479 M480 V481 Q485 D486 M487 H552 V553G479-Q483 PolarHBondContact O-N 3.26Å; M480-Q483 PolarHBondContact O-N 2.93Å; V481-Q483 VanDerWaalsContact C-N 3.35Å; V481-Q483 PolarHBondContact O-N 2.72Å; Q483-Q485 VanDerWaalsContact C-N 3.3Å; Q483-Q485 PolarHBondContact O-N 2.73Å; Q483-D486 PolarHBondContact O-N 3.35Å; Q483-M487 HydrophobicContact CG-SD 3.93Å; Q483-M487 WeakPolarHBondContact O-CG 3.43Å; Q483-M487 PolarHBondContact O-N 2.69Å; Q483-H552 HydrophobicContact CG-CB 4.08Å; Q483-V553 PolarHBondContact NE2-O 3.49Å
484W94.3Very high93.9Very high63 Ų6359.6 Ų59.624%0.23930%0.297CS..Hα-helixtrans-63.5-35.6174.6-75.498.7000112.6M260 M480 V481 K482 M487 I488 M556M260-W484 HydrophobicContact CE-CZ2 4.36Å; M260-W484 HydrophobicContact SD-CZ2 3.94Å; M480-W484 VanDerWaalsContact O-CD1 3.26Å; M480-W484 PolarHBondContact O-N 3.11Å; V481-W484 PolarHBondContact O-N 2.91Å; K482-W484 VanDerWaalsContact C-N 3.34Å; K482-W484 PolarHBondContact O-N 3.16Å; W484-M487 PolarHBondContact O-N 3.27Å; W484-I488 HydrophobicContact CE3-CD1 3.42Å; W484-I488 VanDerWaalsContact CE3-CD1 3.42Å; W484-I488 HydrophobicContact CE3-CG1 4.14Å; W484-I488 HydrophobicContact CZ3-CD1 3.57Å; W484-I488 WeakPolarHBondContact O-CB 3.33Å; W484-I488 PolarHBondContact O-N 2.63Å; W484-M556 HydrophobicContact CD2-CE 4.14Å; W484-M556 HydrophobicContact CE3-CE 4.13Å; W484-M556 HydrophobicContact CH2-CE 3.24Å; W484-M556 HydrophobicContact CZ2-CE 3.2Å; W484-M556 HydrophobicContact CZ3-CE 3.71Å
485Q95.2Very high93.6Very high19 Ų1966.4 Ų66.49%0.08933%0.328CS..Hα-helixtrans-66.3-40.3174.4-71.1170.4-19.900113.3V481 K482 Q483 Y489 S490 G491 S494 S496V481-Q485 WeakPolarHBondContact O-CG 3.38Å; V481-Q485 PolarHBondContact O-N 3.39Å; K482-Q485 CarbonylContact O-C 3.32Å; K482-Q485 WeakPolarHBondContact O-CA 3.47Å; K482-Q485 WeakPolarHBondContact O-CB 3.42Å; K482-Q485 PolarHBondContact O-N 2.98Å; Q483-Q485 VanDerWaalsContact C-N 3.3Å; Q483-Q485 PolarHBondContact O-N 2.73Å; Q485-Y489 HydrophobicContact CG-CD2 4.24Å; Q485-Y489 CarbonylContact O-C 3.54Å; Q485-Y489 VanDerWaalsContact O-C 3.28Å; Q485-Y489 WeakPolarHBondContact O-CA 2.82Å; Q485-Y489 WeakPolarHBondContact O-CB 3.16Å; Q485-Y489 PolarHBondContact O-N 3.43Å; Q485-S490 PolarHBondContact O-N 2.88Å; Q485-G491 PolarHBondContact O-N 3.45Å; Q485-S494 PolarHBondContact NE2-O 3.44Å; Q485-S496 PolarHBondContact OE1-OG 3.05Å
486D93Very high93.3Very high41 Ų4165.3 Ų65.322%0.21932%0.323CS..Hα-helixtrans-60.5-49.7173-69.7-28.5000110.7K482 Q483 H493 H552K482-D486 IonicContact NZ-OD2 2.82Å; K482-D486 PolarHBondContact NZ-OD2 3.19Å; K482-D486 PolarHBondContact O-N 3.47Å; Q483-D486 PolarHBondContact O-N 3.35Å; D486-H493 IonicContact OD1-CD2 3.32Å; D486-H493 IonicContact OD1-CE1 2.91Å; D486-H493 IonicContact OD1-NE2 3.64Å; D486-H493 PolarHBondContact OD1-NE2 3.32Å; D486-H552 IonicContact OD2-CD2 3.82Å; D486-H552 IonicContact OD2-CE1 3.65Å; D486-H552 IonicContact OD2-NE2 3.83Å; D486-H552 PolarHBondContact OD2-NE2 3.19Å
487M90.8Very high92.6Very high61 Ų6165.2 Ų65.230%0.332%0.323SS..Hα-helixtrans-75-42.4-172.1-67.7177.372.100114.1Q483 W484 M556 W567Q483-M487 HydrophobicContact CG-SD 3.93Å; Q483-M487 WeakPolarHBondContact O-CG 3.43Å; Q483-M487 PolarHBondContact O-N 2.69Å; W484-M487 PolarHBondContact O-N 3.27Å; M487-M556 HydrophobicContact CE-CE 4.45Å; M487-M556 HydrophobicContact CE-SD 3.7Å; M487-M556 HydrophobicContact SD-CE 4.41Å; M487-M556 HydrophobicContact SD-SD 3.64Å; M487-M556 VanDerWaalsContact SD-SD 3.64Å; M487-W567 HydrophobicContact CE-CG 4.2Å
488I90.2Very high91.9Very high73 Ų7363.8 Ų63.837%0.37432%0.32SS..Hα-helixtrans-105-31.5-170.8-58.8-167.6000112.3W484W484-I488 HydrophobicContact CE3-CD1 3.42Å; W484-I488 VanDerWaalsContact CE3-CD1 3.42Å; W484-I488 HydrophobicContact CE3-CG1 4.14Å; W484-I488 HydrophobicContact CZ3-CD1 3.57Å; W484-I488 WeakPolarHBondContact O-CB 3.33Å; W484-I488 PolarHBondContact O-N 2.63Å
489Y92.1Very high91.3Very high114 Ų11468.6 Ų68.645%0.44734%0.341SS..SBendtrans-111.322.8-169.3-57.1-61.8000113.1Q485 G491 R492Q485-Y489 HydrophobicContact CG-CD2 4.24Å; Q485-Y489 CarbonylContact O-C 3.54Å; Q485-Y489 VanDerWaalsContact O-C 3.28Å; Q485-Y489 WeakPolarHBondContact O-CA 2.82Å; Q485-Y489 WeakPolarHBondContact O-CB 3.16Å; Q485-Y489 PolarHBondContact O-N 3.43Å; Y489-G491 VanDerWaalsContact C-N 3.27Å; Y489-G491 PolarHBondContact O-N 2.91Å; Y489-R492 WeakPolarHBondContact O-CB 3.3Å; Y489-R492 WeakPolarHBondContact O-CG 3.42Å; Y489-R492 PolarHBondContact O-N 3.37Å; Y489-R492 PolarHBondContact O-NE 3.34Å; Y489-R492 VanDerWaalsContact O-NE 3.08Å
490S90.1Very high91Very high113 Ų11373.1 Ų73.179%0.7937%0.371SS*.THydrogen-bonded Turntrans57.135.7176.9-49.10000113.5Q485 R492Q485-S490 PolarHBondContact O-N 2.88Å; S490-R492 VanDerWaalsContact C-N 3.29Å; S490-R492 PolarHBondContact O-N 3.45Å
491G88Confident90.8Very high31 Ų3172.6 Ų72.632%0.3237%0.369SS..THydrogen-bonded Turntrans73.515.1178.600000114.9Q485 Y489 H493Q485-G491 PolarHBondContact O-N 3.45Å; Y489-G491 VanDerWaalsContact C-N 3.27Å; Y489-G491 PolarHBondContact O-N 2.91Å; G491-H493 PolarHBondContact O-CD2 3.09Å; G491-H493 VanDerWaalsContact O-CD2 3.29Å; G491-H493 PolarHBondContact O-N 3.43Å; G491-H493 PolarHBondContact O-NE2 3.19Å
492R92.1Very high90.8Very high168 Ų16871.3 Ų71.363%0.63436%0.362SS*.  trans-74.790.2175.3-65.5-179.3-59124.21.3110.5Y489 S490 S494Y489-R492 WeakPolarHBondContact O-CB 3.3Å; Y489-R492 WeakPolarHBondContact O-CG 3.42Å; Y489-R492 PolarHBondContact O-N 3.37Å; Y489-R492 PolarHBondContact O-NE 3.34Å; Y489-R492 VanDerWaalsContact O-NE 3.08Å; S490-R492 VanDerWaalsContact C-N 3.29Å; S490-R492 PolarHBondContact O-N 3.45Å; R492-S494 PolarHBondContact O-N 3.22Å; R492-S494 VanDerWaalsContact O-N 3.14Å
493H91.8Very high90.9Very high70 Ų7074.2 Ų74.232%0.32438%0.379SS..  trans-72.7100.5-179.5-57.3155.3000111.8D486 G491D486-H493 IonicContact OD1-CD2 3.32Å; D486-H493 IonicContact OD1-CE1 2.91Å; D486-H493 IonicContact OD1-NE2 3.64Å; D486-H493 PolarHBondContact OD1-NE2 3.32Å; G491-H493 PolarHBondContact O-CD2 3.09Å; G491-H493 VanDerWaalsContact O-CD2 3.29Å; G491-H493 PolarHBondContact O-N 3.43Å; G491-H493 PolarHBondContact O-NE2 3.19Å
494S93Very high91Very high66 Ų6674.3 Ų74.346%0.46238%0.379SS..  trans-101.6110.5179.5-155.70000109.4Q485 R492 S496Q485-S494 PolarHBondContact NE2-O 3.44Å; R492-S494 PolarHBondContact O-N 3.22Å; R492-S494 VanDerWaalsContact O-N 3.14Å; S494-S496 PolarHBondContact O-N 3.42Å
495Q92.5Very high91.2Very high159 Ų15972.3 Ų72.374%0.74337%0.373SS*.SBendtrans51.228176.1-62.875.724.500114.7
496S88.9Confident91.3Very high0 Ų079.6 Ų79.60%040%0.4CS..  trans-109.7-5.5179560000112.7Y477 L478 Q485 S494Y477-S496 CarbonylContact C-O 3.51Å; Y477-S496 WeakPolarHBondContact CA-O 3.15Å; Y477-S496 WeakPolarHBondContact CB-O 3.46Å; L478-S496 PolarHBondContact N-O 3.35Å; Q485-S496 PolarHBondContact OE1-OG 3.05Å; S494-S496 PolarHBondContact O-N 3.42Å
497Y82Confident91.6Very high135 Ų13579.9 Ų79.953%0.52940%0.401SS..BIsolated β-bridgetrans-92142.5171.476.8-89.2000110.3Q499Y497-Q499 HydrophobicContact CD2-CB 4.18Å; Y497-Q499 HydrophobicContact CE2-CB 3.97Å
498M79.2Confident91.9Very high43 Ų4377 Ų7721%0.21239%0.387CS..  trans-11790.4-179.1-60.6-169115.500110.4G449 R476 L478 S500 L501G449-M498 VanDerWaalsContact CA-SD 3.56Å; R476-M498 PolarHBondContact O-N 3.02Å; L478-M498 HydrophobicContact CD2-CE 4.31Å; L478-M498 HydrophobicContact CD2-SD 4.27Å; M498-S500 VanDerWaalsContact C-N 3.32Å; M498-L501 HydrophobicContact CB-CD1 4.17Å; M498-L501 HydrophobicContact CB-CD2 3.66Å; M498-L501 HydrophobicContact CB-CG 3.7Å; M498-L501 HydrophobicContact CG-CD2 4.37Å; M498-L501 HydrophobicContact SD-CD2 3.83Å
499Q83.7Confident92.3Very high150 Ų15078.5 Ų78.570%0.70139%0.393SS*.THydrogen-bonded Turntrans-76.1-24.1174.9-171.4172.7-0.200112.3Y497 L501Y497-Q499 HydrophobicContact CD2-CB 4.18Å; Y497-Q499 HydrophobicContact CE2-CB 3.97Å; Q499-L501 PolarHBondContact O-N 3.14Å
500S89.1Confident92.6Very high101 Ų10177.1 Ų77.171%0.70641%0.405SS*.THydrogen-bonded Turntrans-91.616.4-172.960.20000114.8M498M498-S500 VanDerWaalsContact C-N 3.32Å
501L93.7Very high93Very high30 Ų3075 Ų7516%0.15738%0.38CS..  trans-61.8135.9-179-65.7179.6000111.4D448 R476 M498 Q499 F504D448-L501 HydrophobicContact CB-CD1 3.91Å; D448-L501 HydrophobicContact CB-CD2 4.03Å; D448-L501 WeakPolarHBondContact OD2-CD1 3.28Å; R476-L501 HydrophobicContact CB-CD1 4.15Å; R476-L501 HydrophobicContact CG-CD1 4.02Å; M498-L501 HydrophobicContact CB-CD1 4.17Å; M498-L501 HydrophobicContact CB-CD2 3.66Å; M498-L501 HydrophobicContact CB-CG 3.7Å; M498-L501 HydrophobicContact CG-CD2 4.37Å; M498-L501 HydrophobicContact SD-CD2 3.83Å; Q499-L501 PolarHBondContact O-N 3.14Å; L501-F504 HydrophobicContact CB-CE2 4.43Å; L501-F504 HydrophobicContact CD2-CE2 4.46Å; L501-F504 HydrophobicContact CD2-CZ 4.24Å
502P95.5Very high93.5Very high46 Ų4675 Ų7530%0.29938%0.381SS..  trans-73168.3174.633-35.7000111.2F504 L507P502-F504 HydrophobicContact CG-CD1 4.04Å; P502-F504 HydrophobicContact CG-CE1 3.77Å; P502-F504 HydrophobicContact CG-CZ 4.12Å; P502-F504 PolarHBondContact O-N 3.23Å; P502-F504 VanDerWaalsContact O-N 3.17Å; P502-L507 HydrophobicContact CB-CD2 4.27Å; P502-L507 HydrophobicContact CG-CD2 4Å
503D97.3Very high93.8Very high76 Ų7667.4 Ų67.441%0.40635%0.352SS..  trans-73.3100.4161.5-176.3-31.9000108.1V505 R506 L507D503-V505 VanDerWaalsContact C-N 3.29Å; D503-V505 PolarHBondContact O-N 3.47Å; D503-V505 PolarHBondContact OD1-N 3.44Å; D503-V505 VanDerWaalsContact OD1-N 3.15Å; D503-R506 HydrophobicContact CB-CB 4.1Å; D503-R506 HydrophobicContact CB-CG 4.33Å; D503-R506 PolarHBondContact O-N 3.34Å; D503-R506 PolarHBondContact OD1-N 3.33Å; D503-R506 WeakPolarHBondContact OD2-CD 3.43Å; D503-R506 WeakPolarHBondContact OD2-CG 3.24Å; D503-R506 IonicContact OD2-CZ 3.33Å; D503-R506 IonicContact OD2-NE 3.59Å; D503-R506 PolarHBondContact OD2-NE 3.12Å; D503-L507 VanDerWaalsContact O-CB 3.25Å; D503-L507 WeakPolarHBondContact O-CB 3.34Å; D503-L507 PolarHBondContact O-N 2.94Å
504F98.1Very high94.2Very high2 Ų265.5 Ų65.51%0.00935%0.345CS..Hα-helixtrans-65.4-31.4-176.2-70.4-69000113.1D448 I451 Q452 I455 L501 P502 L507 A508 F542 D544D448-F504 HydrophobicContact CB-CE2 3.95Å; D448-F504 HydrophobicContact CB-CZ 4.06Å; I451-F504 HydrophobicContact CG2-CD1 4.36Å; I451-F504 HydrophobicContact CG2-CE1 3.62Å; I451-F504 HydrophobicContact CG2-CZ 3.99Å; Q452-F504 HydrophobicContact CG-CE1 4Å; Q452-F504 HydrophobicContact CG-CZ 4.21Å; I455-F504 HydrophobicContact CD1-CD1 4.07Å; I455-F504 HydrophobicContact CD1-CE1 4.17Å; L501-F504 HydrophobicContact CB-CE2 4.43Å; L501-F504 HydrophobicContact CD2-CE2 4.46Å; L501-F504 HydrophobicContact CD2-CZ 4.24Å; P502-F504 HydrophobicContact CG-CD1 4.04Å; P502-F504 HydrophobicContact CG-CE1 3.77Å; P502-F504 HydrophobicContact CG-CZ 4.12Å; P502-F504 PolarHBondContact O-N 3.23Å; P502-F504 VanDerWaalsContact O-N 3.17Å; F504-L507 PolarHBondContact O-N 3.14Å; F504-A508 WeakPolarHBondContact O-CB 3.36Å; F504-A508 PolarHBondContact O-N 3.11Å; F504-F542 HydrophobicContact CB-CD1 4.22Å; F504-F542 HydrophobicContact CB-CE1 3.61Å; F504-F542 HydrophobicContact CB-CZ 4.14Å; F504-F542 HydrophobicContact CD1-CE1 4.38Å; F504-F542 HydrophobicContact CD1-CZ 4.07Å; F504-F542 HydrophobicContact CG-CE1 4.13Å; F504-F542 HydrophobicContact CG-CZ 4.27Å; F504-D544 HydrophobicContact CB-CB 4.24Å
505V98.4Very high94.4Very high20 Ų2063 Ų6312%0.12133%0.33CS..Hα-helixtrans-65.4-53.8176.8168.70000109.4D503 L507 A508 E509 Q517 D544D503-V505 VanDerWaalsContact C-N 3.29Å; D503-V505 PolarHBondContact O-N 3.47Å; D503-V505 PolarHBondContact OD1-N 3.44Å; D503-V505 VanDerWaalsContact OD1-N 3.15Å; V505-L507 VanDerWaalsContact C-N 3.25Å; V505-L507 PolarHBondContact O-N 3Å; V505-A508 PolarHBondContact O-N 2.68Å; V505-E509 WeakPolarHBondContact O-CG 3.19Å; V505-E509 PolarHBondContact O-N 3.32Å; V505-Q517 HydrophobicContact CG2-CB 4.04Å; V505-D544 HydrophobicContact CG2-CB 4.3Å
506R98.5Very high94.7Very high173 Ų17356 Ų5665%0.65330%0.298SS*.Hα-helixtrans-62.9-33.9177.3-69.5-177.7-174.3-175.30.5112.6D503 E509 A510D503-R506 HydrophobicContact CB-CB 4.1Å; D503-R506 HydrophobicContact CB-CG 4.33Å; D503-R506 PolarHBondContact O-N 3.34Å; D503-R506 PolarHBondContact OD1-N 3.33Å; D503-R506 WeakPolarHBondContact OD2-CD 3.43Å; D503-R506 WeakPolarHBondContact OD2-CG 3.24Å; D503-R506 IonicContact OD2-CZ 3.33Å; D503-R506 IonicContact OD2-NE 3.59Å; D503-R506 PolarHBondContact OD2-NE 3.12Å; R506-E509 PolarHBondContact O-N 3.38Å; R506-A510 WeakPolarHBondContact O-CB 3.37Å; R506-A510 PolarHBondContact O-N 3.1Å
507L98Very high95.2Very high46 Ų4661 Ų6124%0.24132%0.321CS..Hα-helixtrans-67.2-43.1176.7-175.657.5000111.4I455 P502 D503 F504 V505 E509 A510 Y511I455-L507 HydrophobicContact CD1-CD2 3.41Å; I455-L507 VanDerWaalsContact CD1-CD2 3.41Å; I455-L507 HydrophobicContact CD1-CG 4.24Å; I455-L507 HydrophobicContact CG1-CD2 4.23Å; P502-L507 HydrophobicContact CB-CD2 4.27Å; P502-L507 HydrophobicContact CG-CD2 4Å; D503-L507 VanDerWaalsContact O-CB 3.25Å; D503-L507 WeakPolarHBondContact O-CB 3.34Å; D503-L507 PolarHBondContact O-N 2.94Å; F504-L507 PolarHBondContact O-N 3.14Å; V505-L507 VanDerWaalsContact C-N 3.25Å; V505-L507 PolarHBondContact O-N 3Å; L507-E509 VanDerWaalsContact C-N 3.35Å; L507-A510 WeakPolarHBondContact O-CB 3.3Å; L507-A510 PolarHBondContact O-N 2.98Å; L507-Y511 HydrophobicContact CD1-CD2 4.29Å; L507-Y511 HydrophobicContact CD1-CE2 3.85Å; L507-Y511 HydrophobicContact CG-CD2 4.41Å; L507-Y511 HydrophobicContact CG-CE2 4.17Å; L507-Y511 VanDerWaalsContact O-CD2 3.27Å; L507-Y511 WeakPolarHBondContact O-CD2 3.29Å; L507-Y511 PolarHBondContact O-N 3.04Å
508A98.5Very high96Very high1 Ų154.6 Ų54.61%0.00830%0.296CS..Hα-helixtrans-61.6-43.7173.900000111.6F504 V505 A510 Y511 G512 H513 F542F504-A508 WeakPolarHBondContact O-CB 3.36Å; F504-A508 PolarHBondContact O-N 3.11Å; V505-A508 PolarHBondContact O-N 2.68Å; A508-A510 VanDerWaalsContact C-N 3.33Å; A508-A510 PolarHBondContact O-N 2.79Å; A508-Y511 CarbonylContact O-C 3.53Å; A508-Y511 PolarHBondContact O-N 3.26Å; A508-Y511 VanDerWaalsContact O-N 3.15Å; A508-G512 PolarHBondContact O-N 3.01Å; A508-H513 HydrophobicContact CB-CB 4.41Å; A508-H513 WeakPolarHBondContact O-CB 3.35Å; A508-H513 PolarHBondContact O-N 3.41Å; A508-F542 HydrophobicContact CB-CB 3.49Å; A508-F542 VanDerWaalsContact CB-CB 3.49Å; A508-F542 HydrophobicContact CB-CD2 4.45Å; A508-F542 HydrophobicContact CB-CG 4Å
509E98.6Very high96.8Very high105 Ų10554.7 Ų54.749%0.49130%0.301SS..Hα-helixtrans-61.5-38.5174.5-69.7173.1163.300112.3V505 R506 L507 Y511 G512 H513V505-E509 WeakPolarHBondContact O-CG 3.19Å; V505-E509 PolarHBondContact O-N 3.32Å; R506-E509 PolarHBondContact O-N 3.38Å; L507-E509 VanDerWaalsContact C-N 3.35Å; E509-Y511 PolarHBondContact O-N 3.34Å; E509-G512 WeakPolarHBondContact O-CA 3.44Å; E509-G512 PolarHBondContact O-N 2.94Å; E509-H513 WeakPolarHBondContact CA-O 3.37Å
510A98.4Very high97.5Very high85 Ų8552 Ų5270%0.70229%0.288SS*.Hα-helixtrans-64.1-28176.200000112.9R506 L507 A508 G512R506-A510 WeakPolarHBondContact O-CB 3.37Å; R506-A510 PolarHBondContact O-N 3.1Å; L507-A510 WeakPolarHBondContact O-CB 3.3Å; L507-A510 PolarHBondContact O-N 2.98Å; A508-A510 VanDerWaalsContact C-N 3.33Å; A508-A510 PolarHBondContact O-N 2.79Å; A510-G512 VanDerWaalsContact C-N 3.32Å
511Y98.3Very high97.9Very high67 Ų6749.7 Ų49.726%0.26327%0.271SS..THydrogen-bonded Turntrans-84.31.6169.5-75.8-69.7000113.7L458 L462 L507 A508 E509L458-Y511 HydrophobicContact CB-CD1 4.22Å; L458-Y511 HydrophobicContact CB-CD2 3.74Å; L458-Y511 HydrophobicContact CB-CE2 4.3Å; L458-Y511 HydrophobicContact CB-CG 3.7Å; L458-Y511 HydrophobicContact CD1-CD2 3.72Å; L458-Y511 HydrophobicContact CD1-CE2 4.27Å; L458-Y511 HydrophobicContact CD1-CG 4.42Å; L458-Y511 HydrophobicContact CG-CD2 4.36Å; L462-Y511 WeakPolarHBondContact CD2-O 3.22Å; L507-Y511 HydrophobicContact CD1-CD2 4.29Å; L507-Y511 HydrophobicContact CD1-CE2 3.85Å; L507-Y511 HydrophobicContact CG-CD2 4.41Å; L507-Y511 HydrophobicContact CG-CE2 4.17Å; L507-Y511 VanDerWaalsContact O-CD2 3.27Å; L507-Y511 WeakPolarHBondContact O-CD2 3.29Å; L507-Y511 PolarHBondContact O-N 3.04Å; A508-Y511 CarbonylContact O-C 3.53Å; A508-Y511 PolarHBondContact O-N 3.26Å; A508-Y511 VanDerWaalsContact O-N 3.15Å; E509-Y511 PolarHBondContact O-N 3.34Å
512G98.2Very high98Very high32 Ų3255.5 Ų55.533%0.3330%0.297SS..THydrogen-bonded Turntrans90.26.517900000115.5A508 E509 A510 R539A508-G512 PolarHBondContact O-N 3.01Å; E509-G512 WeakPolarHBondContact O-CA 3.44Å; E509-G512 PolarHBondContact O-N 2.94Å; A510-G512 VanDerWaalsContact C-N 3.32Å; G512-R539 PolarHBondContact O-NH2 3.47Å
513H98.7Very high98.1Very high9 Ų954.9 Ų54.94%0.04229%0.29CS..PPolyproline II helixtrans-94171.1-177.5-60.5-55.5000112.6L458 A508 E509 L540L458-H513 PolarHBondContact O-NE2 3.16Å; A508-H513 HydrophobicContact CB-CB 4.41Å; A508-H513 WeakPolarHBondContact O-CB 3.35Å; A508-H513 PolarHBondContact O-N 3.41Å; E509-H513 WeakPolarHBondContact CA-O 3.37Å; H513-L540 HydrophobicContact CB-CD2 3.84Å
514V98.7Very high98.1Very high29 Ų2951.8 Ų51.818%0.17627%0.273CS..EExtended strand (participates in β ladder)trans-86.4124.3174.1-178.50000108.7I516 R539 L540 V541 F542V514-I516 HydrophobicContact CG1-CD1 4.49Å; V514-I516 HydrophobicContact CG1-CG1 4.21Å; V514-R539 HydrophobicContact CG2-CB 4.21Å; V514-L540 PolarHBondContact N-O 2.82Å; V514-V541 HydrophobicContact CB-CG1 4.24Å; V514-V541 HydrophobicContact CB-CG2 4.21Å; V514-V541 HydrophobicContact CG1-CG1 4.19Å; V514-V541 CarbonylContact O-C 3.53Å; V514-V541 WeakPolarHBondContact O-CA 3.34Å; V514-F542 PolarHBondContact O-N 3.1Å
515G98.7Very high98.1Very high14 Ų1456.2 Ų56.214%0.14429%0.294CS..EExtended strand (participates in β ladder)trans-103134.2172.200000111.4F542G515-F542 CarbonylContact C-O 3.28Å; G515-F542 WeakPolarHBondContact CA-O 3.48Å
516I98.8Very high98.1Very high13 Ų1358.9 Ų58.97%0.06731%0.313CS..EExtended strand (participates in β ladder)trans-130.3131.2176-61.5179.6000108.9V514 I518 K527 E530 A531 V541 F542 V543 D544V514-I516 HydrophobicContact CG1-CD1 4.49Å; V514-I516 HydrophobicContact CG1-CG1 4.21Å; I516-I518 HydrophobicContact CG2-CG1 4.39Å; I516-K527 HydrophobicContact CG2-CB 4.1Å; I516-K527 HydrophobicContact CG2-CD 4.07Å; I516-K527 HydrophobicContact CG2-CG 4.4Å; I516-E530 HydrophobicContact CD1-CG 4.46Å; I516-A531 HydrophobicContact CD1-CB 3.99Å; I516-V541 HydrophobicContact CD1-CG1 3.8Å; I516-V541 HydrophobicContact CG1-CG1 4.12Å; I516-F542 PolarHBondContact N-O 2.77Å; I516-V543 HydrophobicContact CB-CG2 4.28Å; I516-V543 HydrophobicContact CG2-CG1 4.47Å; I516-V543 CarbonylContact O-C 3.57Å; I516-V543 VanDerWaalsContact O-CA 3.3Å; I516-V543 WeakPolarHBondContact O-CA 3.24Å; I516-D544 PolarHBondContact O-N 2.91Å
517Q98.6Very high98.1Very high104 Ų10453.1 Ų53.149%0.48629%0.293SS..EExtended strand (participates in β ladder)trans-102.5134.3172.3-165.1173.813.800111.1V505 K527 D544V505-Q517 HydrophobicContact CG2-CB 4.04Å; Q517-K527 WeakPolarHBondContact O-CD 3.43Å; Q517-K527 PolarHBondContact O-NZ 2.98Å; Q517-D544 WeakPolarHBondContact CA-O 3.26Å
518I98.7Very high98.2Very high0 Ų051 Ų510%028%0.282CS..EExtended strand (participates in β ladder)trans-120.3124.5170.8-49.9-174.2000108.5I372 I516 E523 L524 K527 L528 V543 D544 V545 T546I372-I518 HydrophobicContact CD1-CG2 3.71Å; I516-I518 HydrophobicContact CG2-CG1 4.39Å; I518-E523 HydrophobicContact CG2-CB 3.92Å; I518-L524 HydrophobicContact CG2-CD2 3.95Å; I518-L524 HydrophobicContact CG2-CG 4.25Å; I518-K527 HydrophobicContact CD1-CB 3.71Å; I518-K527 HydrophobicContact CG1-CB 3.86Å; I518-K527 HydrophobicContact CG1-CD 3.88Å; I518-L528 HydrophobicContact CD1-CD2 4.07Å; I518-L528 HydrophobicContact CD1-CG 3.9Å; I518-V543 HydrophobicContact CD1-CG1 3.54Å; I518-V543 HydrophobicContact CG1-CG1 3.75Å; I518-D544 PolarHBondContact N-O 3.5Å; I518-V545 HydrophobicContact CB-CG1 4.18Å; I518-V545 HydrophobicContact CB-CG2 4.26Å; I518-V545 HydrophobicContact CD1-CG2 4.19Å; I518-V545 HydrophobicContact CG1-CG2 4.42Å; I518-V545 HydrophobicContact CG2-CG1 4.43Å; I518-T546 PolarHBondContact O-N 3.12Å
519S97.2Very high98.2Very high46 Ų4653.2 Ų53.232%0.32230%0.297SS..  trans-126.7-19.7-171.955.40000113.7E523S519-E523 PolarHBondContact N-OE2 3.32Å; S519-E523 PolarHBondContact OG-OE2 2.96Å; S519-E523 VanDerWaalsContact OG-OE2 3.04Å
520H97.3Very high98.2Very high94 Ų9452.7 Ų52.744%0.43530%0.295SS..SBendtrans-128.2147.3179.2-54.783.1000112H522 E523H520-H522 VanDerWaalsContact C-N 3.29Å; H520-H522 WeakPolarHBondContact CB-CE1 3.4Å; H520-H522 WeakPolarHBondContact CB-ND1 3.41Å; H520-H522 AromaticContact CG-CE1 3.86Å; H520-H522 PolarHBondContact O-N 3.36Å; H520-E523 HydrophobicContact CB-CG 4.18Å; H520-E523 PolarHBondContact N-OE2 2.89Å; H520-E523 IonicContact ND1-OE2 3.71Å; H520-E523 WeakPolarHBondContact O-CB 3.43Å; H520-E523 PolarHBondContact O-N 2.85Å
521P96.9Very high98.2Very high51 Ų5148.6 Ų48.633%0.33126%0.261SS..G310 helixtrans-54.6-37.8-178.4-28.935.1000115E370 I372 E523 L524E370-P521 WeakPolarHBondContact O-CD 3.39Å; E370-P521 WeakPolarHBondContact O-CG 3.39Å; I372-P521 HydrophobicContact CG1-CG 4.07Å; P521-E523 PolarHBondContact O-N 3.32Å; P521-L524 WeakPolarHBondContact O-CB 3.43Å; P521-L524 WeakPolarHBondContact O-CG 3.5Å; P521-L524 PolarHBondContact O-N 2.69Å
522H96.3Very high98.2Very high152 Ų15246 Ų4670%0.70425%0.252SS*.G310 helixtrans-68.4-15.3-179.268.1-90.2000113.7H520H520-H522 VanDerWaalsContact C-N 3.29Å; H520-H522 WeakPolarHBondContact CB-CE1 3.4Å; H520-H522 WeakPolarHBondContact CB-ND1 3.41Å; H520-H522 AromaticContact CG-CE1 3.86Å; H520-H522 PolarHBondContact O-N 3.36Å
523E97.8Very high98.2Very high34 Ų3449.6 Ų49.616%0.15926%0.26CS..G310 helixtrans-86.6-15.7177.8-56.4-179.1115.300112.7I518 S519 H520 P521 E525 S526 K527I518-E523 HydrophobicContact CG2-CB 3.92Å; S519-E523 PolarHBondContact N-OE2 3.32Å; S519-E523 PolarHBondContact OG-OE2 2.96Å; S519-E523 VanDerWaalsContact OG-OE2 3.04Å; H520-E523 HydrophobicContact CB-CG 4.18Å; H520-E523 PolarHBondContact N-OE2 2.89Å; H520-E523 IonicContact ND1-OE2 3.71Å; H520-E523 WeakPolarHBondContact O-CB 3.43Å; H520-E523 PolarHBondContact O-N 2.85Å; P521-E523 PolarHBondContact O-N 3.32Å; E523-E525 PolarHBondContact O-N 2.83Å; E523-S526 PolarHBondContact O-OG 3.04Å; E523-K527 HydrophobicContact CB-CD 4.03Å; E523-K527 HydrophobicContact CB-CG 4.42Å; E523-K527 WeakPolarHBondContact O-CB 3.4Å; E523-K527 PolarHBondContact O-N 3.17Å; E523-K527 WeakPolarHBondContact OE1-CE 3.2Å; E523-K527 IonicContact OE1-NZ 3.9Å; E523-K527 PolarHBondContact OE1-NZ 2.97Å; E523-K527 IonicContact OE2-NZ 3.83Å
524L97.4Very high98.2Very high11 Ų1151.9 Ų51.96%0.05827%0.271CS..Hα-helixtrans-56.9-57-168.6-80.6167.4000112.7I372 A376 V377 I518 P521 L528 V545I372-L524 HydrophobicContact CD1-CD2 4.2Å; I372-L524 HydrophobicContact CD1-CG 4.33Å; I372-L524 HydrophobicContact CG1-CD1 4.39Å; I372-L524 HydrophobicContact CG1-CG 4.48Å; I372-L524 HydrophobicContact CG2-CD1 4.02Å; I372-L524 HydrophobicContact CG2-CD2 4.04Å; I372-L524 HydrophobicContact CG2-CG 4.45Å; A376-L524 HydrophobicContact CB-CD1 4.46Å; V377-L524 HydrophobicContact CG1-CD2 4.48Å; V377-L524 HydrophobicContact CG2-CD2 3.89Å; I518-L524 HydrophobicContact CG2-CD2 3.95Å; I518-L524 HydrophobicContact CG2-CG 4.25Å; P521-L524 WeakPolarHBondContact O-CB 3.43Å; P521-L524 WeakPolarHBondContact O-CG 3.5Å; P521-L524 PolarHBondContact O-N 2.69Å; L524-L528 WeakPolarHBondContact O-CB 3.21Å; L524-L528 WeakPolarHBondContact O-CG 3.43Å; L524-L528 PolarHBondContact O-N 2.93Å; L524-V545 HydrophobicContact CD2-CG1 4.13Å
525E97.9Very high98.2Very high95 Ų9551 Ų5144%0.44427%0.265SS..Hα-helixtrans-68.2-42.6-172.1-174.3160-173.300112T380 R383 L384 E523 S529T380-E525 HydrophobicContact CG2-CB 4.25Å; R383-E525 IonicContact CZ-OE2 3.59Å; R383-E525 IonicContact NH1-OE1 2.75Å; R383-E525 PolarHBondContact NH1-OE1 3.38Å; R383-E525 IonicContact NH1-OE2 3.95Å; R383-E525 PolarHBondContact NH1-OE2 3.17Å; L384-E525 HydrophobicContact CD2-CG 4.37Å; E523-E525 PolarHBondContact O-N 2.83Å; E525-S529 VanDerWaalsContact O-CB 3.24Å; E525-S529 WeakPolarHBondContact O-CB 3.48Å; E525-S529 PolarHBondContact O-N 2.87Å
526S98.5Very high98.1Very high75 Ų7558.8 Ų58.852%0.52429%0.29SS..Hα-helixtrans-66.9-49.4-179.754.90000112.1E523 S529 E530E523-S526 PolarHBondContact O-OG 3.04Å; S526-S529 PolarHBondContact O-N 2.81Å; S526-E530 PolarHBondContact O-N 3.43Å
527K98.8Very high98Very high53 Ų5363 Ų6323%0.2331%0.313CS..Hα-helixtrans-71.3-34.3-178.1-71.3-173.1173173.40113I516 Q517 I518 E523 E530 A531I516-K527 HydrophobicContact CG2-CB 4.1Å; I516-K527 HydrophobicContact CG2-CD 4.07Å; I516-K527 HydrophobicContact CG2-CG 4.4Å; Q517-K527 WeakPolarHBondContact O-CD 3.43Å; Q517-K527 PolarHBondContact O-NZ 2.98Å; I518-K527 HydrophobicContact CD1-CB 3.71Å; I518-K527 HydrophobicContact CG1-CB 3.86Å; I518-K527 HydrophobicContact CG1-CD 3.88Å; E523-K527 HydrophobicContact CB-CD 4.03Å; E523-K527 HydrophobicContact CB-CG 4.42Å; E523-K527 WeakPolarHBondContact O-CB 3.4Å; E523-K527 PolarHBondContact O-N 3.17Å; E523-K527 WeakPolarHBondContact OE1-CE 3.2Å; E523-K527 IonicContact OE1-NZ 3.9Å; E523-K527 PolarHBondContact OE1-NZ 2.97Å; E523-K527 IonicContact OE2-NZ 3.83Å; K527-E530 PolarHBondContact O-N 3.25Å; K527-A531 WeakPolarHBondContact O-CB 3.42Å; K527-A531 PolarHBondContact O-N 3.39Å
528L98.8Very high98Very high0 Ų062.1 Ų62.10%031%0.312CS..Hα-helixtrans-69.1-36.3172.6-71.2174.2000111.8V377 T380 L381 L384 I518 L524 A531 L532 V543V377-L528 HydrophobicContact CG1-CD1 4.31Å; T380-L528 HydrophobicContact CG2-CD1 3.78Å; L381-L528 HydrophobicContact CD2-CD1 4.27Å; L381-L528 HydrophobicContact CD2-CD2 4.08Å; L381-L528 HydrophobicContact CG-CD1 4.31Å; L384-L528 HydrophobicContact CD1-CB 3.59Å; I518-L528 HydrophobicContact CD1-CD2 4.07Å; I518-L528 HydrophobicContact CD1-CG 3.9Å; L524-L528 WeakPolarHBondContact O-CB 3.21Å; L524-L528 WeakPolarHBondContact O-CG 3.43Å; L524-L528 PolarHBondContact O-N 2.93Å; L528-A531 PolarHBondContact O-N 3.33Å; L528-L532 WeakPolarHBondContact O-CG 3.34Å; L528-L532 PolarHBondContact O-N 2.93Å; L528-V543 HydrophobicContact CD2-CG1 4.11Å
529S98.7Very high97.9Very high48 Ų4867.1 Ų67.134%0.33633%0.331SS..Hα-helixtrans-63.6-43.4173.3-175.60000111.7E525 S526 A531 L532 E533E525-S529 VanDerWaalsContact O-CB 3.24Å; E525-S529 WeakPolarHBondContact O-CB 3.48Å; E525-S529 PolarHBondContact O-N 2.87Å; S526-S529 PolarHBondContact O-N 2.81Å; S529-A531 VanDerWaalsContact C-N 3.35Å; S529-L532 PolarHBondContact O-N 3.46Å; S529-E533 PolarHBondContact O-N 3.23Å
530E98.6Very high98Very high94 Ų9465.1 Ų65.144%0.43932%0.316SS..Hα-helixtrans-58.8-45.8173-178.8-173.1169.500111.2I516 S526 K527 L532 E533 Q534I516-E530 HydrophobicContact CD1-CG 4.46Å; S526-E530 PolarHBondContact O-N 3.43Å; K527-E530 PolarHBondContact O-N 3.25Å; E530-L532 VanDerWaalsContact C-N 3.32Å; E530-L532 PolarHBondContact O-N 3.5Å; E530-E533 WeakPolarHBondContact O-CB 3.5Å; E530-E533 PolarHBondContact O-N 3.01Å; E530-E533 VanDerWaalsContact O-N 3.1Å; E530-Q534 WeakPolarHBondContact O-CG 3.39Å; E530-Q534 PolarHBondContact O-N 3.03Å
531A98.8Very high98.1Very high0 Ų060.7 Ų60.70%030%0.296CS..Hα-helixtrans-58.6-44.1177.700000111.7L469 I516 K527 L528 S529 E533 Q534 V535 V541 V543L469-A531 HydrophobicContact CD1-CB 3.64Å; I516-A531 HydrophobicContact CD1-CB 3.99Å; K527-A531 WeakPolarHBondContact O-CB 3.42Å; K527-A531 PolarHBondContact O-N 3.39Å; L528-A531 PolarHBondContact O-N 3.33Å; S529-A531 VanDerWaalsContact C-N 3.35Å; A531-E533 VanDerWaalsContact C-N 3.32Å; A531-E533 PolarHBondContact O-N 3.18Å; A531-Q534 PolarHBondContact O-N 3.4Å; A531-V535 WeakPolarHBondContact O-CG2 3.43Å; A531-V535 PolarHBondContact O-N 3.33Å; A531-V541 HydrophobicContact CB-CB 4.44Å; A531-V541 HydrophobicContact CB-CG1 3.84Å; A531-V543 HydrophobicContact CB-CG2 3.59Å
532L98.7Very high98.2Very high11 Ų1158.3 Ų58.36%0.05828%0.28CS..Hα-helixtrans-67.2-29.6176.4-73.4168.3000113.2L384 T385 T441 L469 L528 S529 E530 R536L384-L532 HydrophobicContact CB-CD1 3.59Å; L384-L532 HydrophobicContact CD1-CD1 4.23Å; T385-L532 HydrophobicContact CG2-CD1 4.16Å; T385-L532 HydrophobicContact CG2-CD2 4.11Å; T441-L532 HydrophobicContact CG2-CD2 4.17Å; L469-L532 HydrophobicContact CD2-CD2 3.62Å; L469-L532 HydrophobicContact CD2-CG 3.92Å; L528-L532 WeakPolarHBondContact O-CG 3.34Å; L528-L532 PolarHBondContact O-N 2.93Å; S529-L532 PolarHBondContact O-N 3.46Å; E530-L532 VanDerWaalsContact C-N 3.32Å; E530-L532 PolarHBondContact O-N 3.5Å; L532-R536 WeakPolarHBondContact O-CG 3.29Å; L532-R536 PolarHBondContact O-N 2.89Å; L532-R536 VanDerWaalsContact O-N 3.14Å; L532-R536 PolarHBondContact O-NE 3.45Å; L532-R536 VanDerWaalsContact O-NE 3.12Å
533E98.5Very high98.3Very high108 Ų10851 Ų5151%0.50525%0.246SC..Hα-helixtrans-68.8-44.7172.1-173.1176.5177.100111.5S529 E530 A531 V535 R536 N537S529-E533 PolarHBondContact O-N 3.23Å; E530-E533 WeakPolarHBondContact O-CB 3.5Å; E530-E533 PolarHBondContact O-N 3.01Å; E530-E533 VanDerWaalsContact O-N 3.1Å; A531-E533 VanDerWaalsContact C-N 3.32Å; A531-E533 PolarHBondContact O-N 3.18Å; E533-V535 VanDerWaalsContact C-N 3.32Å; E533-V535 PolarHBondContact O-N 2.96Å; E533-R536 CarbonylContact O-C 3.59Å; E533-R536 WeakPolarHBondContact O-CA 3.39Å; E533-R536 WeakPolarHBondContact O-CB 3.45Å; E533-R536 PolarHBondContact O-N 3.22Å; E533-R536 VanDerWaalsContact O-N 3.11Å; E533-N537 PolarHBondContact O-N 3.27Å; E533-N537 PolarHBondContact O-ND2 3.14Å
534Q98.3Very high98.3Very high57 Ų5749.9 Ų49.927%0.26624%0.241SC..Hα-helixtrans-60.8-39.6174.6-69.8-67.3-23.600112.3E530 A531 R536 N537 N538 R539 V541E530-Q534 WeakPolarHBondContact O-CG 3.39Å; E530-Q534 PolarHBondContact O-N 3.03Å; A531-Q534 PolarHBondContact O-N 3.4Å; Q534-R536 VanDerWaalsContact C-N 3.34Å; Q534-R536 PolarHBondContact O-N 3.16Å; Q534-N537 CarbonylContact O-C 3.46Å; Q534-N537 WeakPolarHBondContact O-CA 3.42Å; Q534-N537 WeakPolarHBondContact O-CB 3.4Å; Q534-N537 PolarHBondContact O-N 3.12Å; Q534-N538 PolarHBondContact O-N 3.34Å; Q534-R539 PolarHBondContact O-N 3.4Å; Q534-V541 HydrophobicContact CB-CG2 3.44Å; Q534-V541 VanDerWaalsContact CB-CG2 3.44Å; Q534-V541 HydrophobicContact CG-CG2 4.49Å
535V98.5Very high98.4Very high10 Ų1049.4 Ų49.46%0.06124%0.239CC..Hα-helixtrans-60.7-42.3172.4168.90000111.8P467 L469 A531 E533 N537 N538 R539 V541P467-V535 HydrophobicContact CB-CG1 4.21Å; P467-V535 WeakPolarHBondContact CB-O 3.46Å; L469-V535 HydrophobicContact CB-CG2 4.02Å; A531-V535 WeakPolarHBondContact O-CG2 3.43Å; A531-V535 PolarHBondContact O-N 3.33Å; E533-V535 VanDerWaalsContact C-N 3.32Å; E533-V535 PolarHBondContact O-N 2.96Å; V535-N537 PolarHBondContact O-N 2.97Å; V535-N538 PolarHBondContact O-N 3.28Å; V535-R539 VanDerWaalsContact CA-O 3.32Å; V535-R539 WeakPolarHBondContact CA-O 3.3Å; V535-V541 HydrophobicContact CG2-CB 4.21Å; V535-V541 HydrophobicContact CG2-CG2 3.77Å
536R97.5Very high98.4Very high179 Ų17947.7 Ų47.768%0.67524%0.235SC*.Hα-helixtrans-64.8-24.9173.7-75.9178.2-78.3-170.70.4113L532 E533 Q534 N538L532-R536 WeakPolarHBondContact O-CG 3.29Å; L532-R536 PolarHBondContact O-N 2.89Å; L532-R536 VanDerWaalsContact O-N 3.14Å; L532-R536 PolarHBondContact O-NE 3.45Å; L532-R536 VanDerWaalsContact O-NE 3.12Å; E533-R536 CarbonylContact O-C 3.59Å; E533-R536 WeakPolarHBondContact O-CA 3.39Å; E533-R536 WeakPolarHBondContact O-CB 3.45Å; E533-R536 PolarHBondContact O-N 3.22Å; E533-R536 VanDerWaalsContact O-N 3.11Å; Q534-R536 VanDerWaalsContact C-N 3.34Å; Q534-R536 PolarHBondContact O-N 3.16Å; R536-N538 PolarHBondContact O-N 3.27Å
537N97Very high98.4Very high100 Ų10044.8 Ų44.854%0.53521%0.214SC..THydrogen-bonded Turntrans-87.626.5171.8-64.2-30.8000113.1E533 Q534 V535 R539E533-N537 PolarHBondContact O-N 3.27Å; E533-N537 PolarHBondContact O-ND2 3.14Å; Q534-N537 CarbonylContact O-C 3.46Å; Q534-N537 WeakPolarHBondContact O-CA 3.42Å; Q534-N537 WeakPolarHBondContact O-CB 3.4Å; Q534-N537 PolarHBondContact O-N 3.12Å; V535-N537 PolarHBondContact O-N 2.97Å; N537-R539 PolarHBondContact O-N 3.44Å
538N96.9Very high98.3Very high87 Ų8742.8 Ų42.847%0.46521%0.206SC..THydrogen-bonded Turntrans60.335.9174.8-154.147.1000114.9P467 Q534 V535 R536P467-N538 WeakPolarHBondContact CG-OD1 3.34Å; Q534-N538 PolarHBondContact O-N 3.34Å; V535-N538 PolarHBondContact O-N 3.28Å; R536-N538 PolarHBondContact O-N 3.27Å
539R97.8Very high98Very high105 Ų10543.6 Ų43.640%0.39622%0.215SC..  trans-115.9138.2173-61-65.5-63.9-86.31.9111.1P467 G512 V514 Q534 V535 N537P467-R539 WeakPolarHBondContact CB-O 3.49Å; G512-R539 PolarHBondContact O-NH2 3.47Å; V514-R539 HydrophobicContact CG2-CB 4.21Å; Q534-R539 PolarHBondContact O-N 3.4Å; V535-R539 VanDerWaalsContact CA-O 3.32Å; V535-R539 WeakPolarHBondContact CA-O 3.3Å; N537-R539 PolarHBondContact O-N 3.44Å
540L98.7Very high97.7Very high4 Ų443.8 Ų43.82%0.02122%0.216CC..  trans-71.2135.6161.5-178.1154.3000108.6L431 L458 A461 V468 V470 H513 V514L431-L540 HydrophobicContact CD2-CD1 4.41Å; L458-L540 HydrophobicContact CD2-CD1 4.09Å; L458-L540 HydrophobicContact CD2-CD2 3.87Å; A461-L540 HydrophobicContact CB-CD1 3.46Å; A461-L540 VanDerWaalsContact CB-CD1 3.46Å; V468-L540 HydrophobicContact CB-CD1 4.33Å; V468-L540 WeakPolarHBondContact O-CA 3.32Å; V468-L540 WeakPolarHBondContact O-CG 3.48Å; V470-L540 HydrophobicContact CG2-CD2 4.37Å; H513-L540 HydrophobicContact CB-CD2 3.84Å; V514-L540 PolarHBondContact N-O 2.82Å
541V98.9Very high97.6Very high0 Ų040.7 Ų40.70%020%0.201CC..EExtended strand (participates in β ladder)trans-122.9126.8178.8-171.20000109.3V468 L469 V470 V514 I516 A531 Q534 V535 V543V468-V541 PolarHBondContact O-N 3.06Å; V468-V541 VanDerWaalsContact O-N 3.08Å; L469-V541 HydrophobicContact CD1-CB 4.15Å; L469-V541 HydrophobicContact CD1-CG1 4.44Å; V470-V541 PolarHBondContact N-O 2.92Å; V514-V541 HydrophobicContact CB-CG1 4.24Å; V514-V541 HydrophobicContact CB-CG2 4.21Å; V514-V541 HydrophobicContact CG1-CG1 4.19Å; V514-V541 CarbonylContact O-C 3.53Å; V514-V541 WeakPolarHBondContact O-CA 3.34Å; I516-V541 HydrophobicContact CD1-CG1 3.8Å; I516-V541 HydrophobicContact CG1-CG1 4.12Å; A531-V541 HydrophobicContact CB-CB 4.44Å; A531-V541 HydrophobicContact CB-CG1 3.84Å; Q534-V541 HydrophobicContact CB-CG2 3.44Å; Q534-V541 VanDerWaalsContact CB-CG2 3.44Å; Q534-V541 HydrophobicContact CG-CG2 4.49Å; V535-V541 HydrophobicContact CG2-CB 4.21Å; V535-V541 HydrophobicContact CG2-CG2 3.77Å; V541-V543 HydrophobicContact CG1-CG2 4.01Å
542F98.9Very high97.5Very high1 Ų141.4 Ų41.40%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-102.7111.3173.1-162.6-70.7000109.3I451 L458 V470 N472 F504 A508 V514 G515 I516 D544I451-F542 HydrophobicContact CD1-CE2 4.2Å; I451-F542 HydrophobicContact CG1-CE2 3.75Å; I451-F542 HydrophobicContact CG1-CZ 3.95Å; L458-F542 HydrophobicContact CD1-CD2 4.44Å; V470-F542 HydrophobicContact CB-CD2 3.91Å; V470-F542 HydrophobicContact CB-CE2 4.31Å; V470-F542 HydrophobicContact CB-CG 4.39Å; V470-F542 HydrophobicContact CG1-CD2 3.76Å; V470-F542 HydrophobicContact CG1-CE2 3.63Å; V470-F542 HydrophobicContact CG1-CG 4.47Å; V470-F542 HydrophobicContact CG1-CZ 4.23Å; N472-F542 HydrophobicContact CB-CE1 3.65Å; N472-F542 HydrophobicContact CB-CZ 3.8Å; F504-F542 HydrophobicContact CB-CD1 4.22Å; F504-F542 HydrophobicContact CB-CE1 3.61Å; F504-F542 HydrophobicContact CB-CZ 4.14Å; F504-F542 HydrophobicContact CD1-CE1 4.38Å; F504-F542 HydrophobicContact CD1-CZ 4.07Å; F504-F542 HydrophobicContact CG-CE1 4.13Å; F504-F542 HydrophobicContact CG-CZ 4.27Å; A508-F542 HydrophobicContact CB-CB 3.49Å; A508-F542 VanDerWaalsContact CB-CB 3.49Å; A508-F542 HydrophobicContact CB-CD2 4.45Å; A508-F542 HydrophobicContact CB-CG 4Å; V514-F542 PolarHBondContact O-N 3.1Å; G515-F542 CarbonylContact C-O 3.28Å; G515-F542 WeakPolarHBondContact CA-O 3.48Å; I516-F542 PolarHBondContact N-O 2.77Å; F542-D544 HydrophobicContact CE1-CB 4.35Å
543V98.9Very high97.4Very high0 Ų040.9 Ų40.90%020%0.202CC..EExtended strand (participates in β ladder)trans-102.3112.3176.8-172.90000109L469 V470 N472 I516 I518 L528 A531 V541 V545L469-V543 HydrophobicContact CD1-CG2 3.59Å; V470-V543 PolarHBondContact O-N 3.27Å; N472-V543 PolarHBondContact N-O 2.95Å; I516-V543 HydrophobicContact CB-CG2 4.28Å; I516-V543 HydrophobicContact CG2-CG1 4.47Å; I516-V543 CarbonylContact O-C 3.57Å; I516-V543 VanDerWaalsContact O-CA 3.3Å; I516-V543 WeakPolarHBondContact O-CA 3.24Å; I518-V543 HydrophobicContact CD1-CG1 3.54Å; I518-V543 HydrophobicContact CG1-CG1 3.75Å; L528-V543 HydrophobicContact CD2-CG1 4.11Å; A531-V543 HydrophobicContact CB-CG2 3.59Å; V541-V543 HydrophobicContact CG1-CG2 4.01Å; V543-V545 HydrophobicContact CG1-CG2 3.78Å
544D98.8Very high97.3Very high10 Ų1037.3 Ų37.35%0.05318%0.184CC..EExtended strand (participates in β ladder)trans-93.2109.7173.3-165.949.3000110N472 N474 F504 V505 I516 Q517 I518 F542N472-D544 PolarHBondContact ND2-OD1 2.86Å; N474-D544 WeakPolarHBondContact CB-OD1 3.38Å; N474-D544 PolarHBondContact ND2-OD1 3.06Å; N474-D544 PolarHBondContact ND2-OD2 2.95Å; F504-D544 HydrophobicContact CB-CB 4.24Å; V505-D544 HydrophobicContact CG2-CB 4.3Å; I516-D544 PolarHBondContact O-N 2.91Å; Q517-D544 WeakPolarHBondContact CA-O 3.26Å; I518-D544 PolarHBondContact N-O 3.5Å; F542-D544 HydrophobicContact CE1-CB 4.35Å
545V98.8Very high97.3Very high0 Ų034.6 Ų34.60%017%0.171CC..EExtended strand (participates in β ladder)trans-105.5112.4-177.1-169.30000109.1I372 V377 V471 N472 L473 N474 I518 L524 V543 V547I372-V545 HydrophobicContact CD1-CG1 3.83Å; I372-V545 HydrophobicContact CG2-CG1 3.9Å; V377-V545 HydrophobicContact CG1-CG2 4.32Å; V377-V545 HydrophobicContact CG2-CG1 3.88Å; V471-V545 HydrophobicContact CG1-CG2 4Å; N472-V545 PolarHBondContact O-N 2.87Å; L473-V545 HydrophobicContact CD2-CB 4.47Å; N474-V545 WeakPolarHBondContact CB-O 3.44Å; N474-V545 PolarHBondContact N-O 2.63Å; I518-V545 HydrophobicContact CB-CG1 4.18Å; I518-V545 HydrophobicContact CB-CG2 4.26Å; I518-V545 HydrophobicContact CD1-CG2 4.19Å; I518-V545 HydrophobicContact CG1-CG2 4.42Å; I518-V545 HydrophobicContact CG2-CG1 4.43Å; L524-V545 HydrophobicContact CD2-CG1 4.13Å; V543-V545 HydrophobicContact CG1-CG2 3.78Å; V545-V547 HydrophobicContact CB-CG1 4.32Å; V545-V547 HydrophobicContact CG1-CG1 3.88Å; V545-V547 PolarHBondContact O-N 2.88Å; V545-V547 VanDerWaalsContact O-N 3.16Å
546T97.9Very high97.2Very high60 Ų6034.3 Ų34.337%0.36817%0.169SC..EExtended strand (participates in β ladder)trans-73.3107174.2-59.40000109.4I518I518-T546 PolarHBondContact O-N 3.12Å
547V98.1Very high97.2Very high14 Ų1426 Ų269%0.08514%0.138CC..BIsolated β-bridgetrans-106.2165.4-177.6-58.40000112.6I372 P374 V377 L473 N474 N475 V545 G549I372-V547 HydrophobicContact CB-CG1 4.48Å; I372-V547 HydrophobicContact CG2-CG1 3.91Å; I372-V547 CarbonylContact O-C 3.54Å; I372-V547 WeakPolarHBondContact O-CA 3.43Å; P374-V547 HydrophobicContact CB-CB 4.42Å; P374-V547 HydrophobicContact CB-CG1 4.38Å; P374-V547 HydrophobicContact CB-CG2 4.47Å; V377-V547 HydrophobicContact CG2-CG1 4.2Å; L473-V547 HydrophobicContact CB-CG1 4.44Å; L473-V547 HydrophobicContact CB-CG2 4.31Å; L473-V547 HydrophobicContact CD2-CG1 4.17Å; N474-V547 PolarHBondContact O-N 3.35Å; N475-V547 HydrophobicContact CB-CG2 3.69Å; V545-V547 HydrophobicContact CB-CG1 4.32Å; V545-V547 HydrophobicContact CG1-CG1 3.88Å; V545-V547 PolarHBondContact O-N 2.88Å; V545-V547 VanDerWaalsContact O-N 3.16Å; V547-G549 PolarHBondContact O-N 3.08Å
548D96.5Very high97Very high10 Ų1023.2 Ų23.25%0.05312%0.123CC..  trans-64.9100.9177.2-172.5-5000112.2K371 I372 K373 S550 E551K371-D548 HydrophobicContact CB-CB 3.94Å; K371-D548 HydrophobicContact CD-CB 4.12Å; K371-D548 IonicContact NZ-OD1 2.76Å; I372-D548 PolarHBondContact O-N 2.92Å; K373-D548 HydrophobicContact CD-CB 4.37Å; K373-D548 IonicContact NZ-OD2 2.8Å; K373-D548 PolarHBondContact NZ-OD2 3.05Å; D548-S550 VanDerWaalsContact CG-OG 3.3Å; D548-S550 PolarHBondContact O-N 3.47Å; D548-S550 WeakPolarHBondContact OD1-CB 3.39Å; D548-S550 PolarHBondContact OD1-N 3.33Å; D548-S550 PolarHBondContact OD1-OG 3.48Å; D548-S550 PolarHBondContact OD2-OG 3.34Å; D548-E551 HydrophobicContact CB-CG 3.89Å; D548-E551 WeakPolarHBondContact O-CB 3.42Å; D548-E551 WeakPolarHBondContact O-CG 3.21Å; D548-E551 PolarHBondContact O-N 2.99Å; D548-E551 VanDerWaalsContact O-N 3.12Å
549G93.5Very high96.8Very high18 Ų1828.2 Ų28.219%0.18614%0.135CC..THydrogen-bonded Turntrans-66.9-1.1177.500000116.1K482 V547K482-G549 WeakPolarHBondContact CE-O 3.46Å; K482-G549 PolarHBondContact NZ-O 3.11Å; V547-G549 PolarHBondContact O-N 3.08Å
550S92.9Very high96.5Very high51 Ų5125 Ų2536%0.35713%0.134SC..THydrogen-bonded Turntrans-89.6-6171.777.60000113.7D548 K570D548-S550 VanDerWaalsContact CG-OG 3.3Å; D548-S550 PolarHBondContact O-N 3.47Å; D548-S550 WeakPolarHBondContact OD1-CB 3.39Å; D548-S550 PolarHBondContact OD1-N 3.33Å; D548-S550 PolarHBondContact OD1-OG 3.48Å; D548-S550 PolarHBondContact OD2-OG 3.34Å; S550-K570 PolarHBondContact O-NZ 2.75Å
551E95.5Very high96.4Very high30 Ų3024.9 Ų24.914%0.1413%0.134CC..  trans-68146.4-178.2-75.5-67137.500113.2K373 P374 Q375 Q397 F401 D548K373-E551 HydrophobicContact CD-CG 4.16Å; K373-E551 WeakPolarHBondContact CD-OE1 3.29Å; K373-E551 WeakPolarHBondContact CE-OE1 3.3Å; K373-E551 IonicContact NZ-OE1 2.75Å; K373-E551 PolarHBondContact NZ-OE1 3.02Å; P374-E551 HydrophobicContact CG-CB 4.23Å; P374-E551 HydrophobicContact CG-CG 4.24Å; Q375-E551 PolarHBondContact NE2-OE2 2.7Å; Q375-E551 VanDerWaalsContact NE2-OE2 3.09Å; Q397-E551 PolarHBondContact NE2-O 2.94Å; F401-E551 HydrophobicContact CZ-CB 4.4Å; D548-E551 HydrophobicContact CB-CG 3.89Å; D548-E551 WeakPolarHBondContact O-CB 3.42Å; D548-E551 WeakPolarHBondContact O-CG 3.21Å; D548-E551 PolarHBondContact O-N 2.99Å; D548-E551 VanDerWaalsContact O-N 3.12Å
552H96.1Very high96.1Very high14 Ų1424.9 Ų24.97%0.06514%0.135CC..  trans-125.4152174.4-72.4169.4000108.4Q483 D486 Y554Q483-H552 HydrophobicContact CG-CB 4.08Å; D486-H552 IonicContact OD2-CD2 3.82Å; D486-H552 IonicContact OD2-CE1 3.65Å; D486-H552 IonicContact OD2-NE2 3.83Å; D486-H552 PolarHBondContact OD2-NE2 3.19Å; H552-Y554 HydrophobicContact CB-CD2 4.07Å; H552-Y554 HydrophobicContact CB-CE2 3.45Å; H552-Y554 VanDerWaalsContact CB-CE2 3.45Å; H552-Y554 PolarHBondContact ND1-OH 3.46Å; H552-Y554 PolarHBondContact O-N 2.91Å
553V97.9Very high96Very high0 Ų024.9 Ų24.90%013%0.134CC..  trans-84.3115.3174.4-177.50000108.3H261 Q397 M400 F401 L404 M480 Q483H261-V553 HydrophobicContact CB-CG1 3.9Å; H261-V553 PolarHBondContact CE1-O 3.26Å; H261-V553 PolarHBondContact ND1-O 2.98Å; Q397-V553 HydrophobicContact CB-CG2 3.69Å; Q397-V553 HydrophobicContact CG-CG2 3.74Å; M400-V553 HydrophobicContact CB-CB 4.42Å; M400-V553 HydrophobicContact CB-CG1 3.57Å; M400-V553 HydrophobicContact CB-CG2 4.01Å; M400-V553 HydrophobicContact CG-CG1 4.18Å; F401-V553 HydrophobicContact CD1-CG2 4.37Å; F401-V553 HydrophobicContact CE1-CB 4.47Å; F401-V553 HydrophobicContact CE1-CG2 3.84Å; F401-V553 HydrophobicContact CE2-CG2 4.26Å; F401-V553 HydrophobicContact CZ-CG2 3.78Å; L404-V553 HydrophobicContact CD1-CG1 4.12Å; M480-V553 HydrophobicContact CE-CG2 4.46Å; Q483-V553 PolarHBondContact NE2-O 3.49Å
554Y96.7Very high95.8Very high33 Ų3327.1 Ų27.113%0.12915%0.147CC..  trans-124153.8169.1-66.1-69.2000109.6H552 M556 W567 L568 K570H552-Y554 HydrophobicContact CB-CD2 4.07Å; H552-Y554 HydrophobicContact CB-CE2 3.45Å; H552-Y554 VanDerWaalsContact CB-CE2 3.45Å; H552-Y554 PolarHBondContact ND1-OH 3.46Å; H552-Y554 PolarHBondContact O-N 2.91Å; Y554-M556 HydrophobicContact CD1-CB 4.17Å; Y554-M556 HydrophobicContact CE1-CB 4.49Å; Y554-W567 HydrophobicContact CD1-CB 3.93Å; Y554-W567 HydrophobicContact CE1-CB 3.74Å; Y554-L568 WeakPolarHBondContact CB-O 3.45Å; Y554-K570 HydrophobicContact CE2-CG 3.76Å
555P97.6Very high95.7Very high0 Ų029.7 Ų29.70%016%0.158CC..SBendcis-63164.1-3.3-25.337000114.4H261 G262 C362 M566 W567 L568H261-P555 WeakPolarHBondContact CA-O 3.44Å; H261-P555 PolarHBondContact ND1-O 3.14Å; G262-P555 WeakPolarHBondContact O-CB 3.48Å; G262-P555 WeakPolarHBondContact O-CG 3.3Å; C362-P555 HydrophobicContact CB-CG 3.96Å; P555-M566 HydrophobicContact CB-CE 3.44Å; P555-M566 VanDerWaalsContact CB-CE 3.44Å; P555-M566 HydrophobicContact CB-SD 4.43Å; P555-M566 HydrophobicContact CG-CE 4.49Å; P555-W567 CarbonylContact C-O 3.38Å; P555-W567 VanDerWaalsContact CA-O 3.28Å; P555-W567 WeakPolarHBondContact CA-O 3.34Å; P555-L568 HydrophobicContact CB-CD2 3.92Å; P555-L568 HydrophobicContact CG-CD2 4.06Å
556M96.9Very high95.6Very high4 Ų429.7 Ų29.72%0.0216%0.158CC..EExtended strand (participates in β ladder)trans-143.5117.7176.2-173.5177.7174.300111.1M260 W484 M487 Y554 I558 M566 W567M260-M556 CarbonylContact O-C 3.59Å; M260-M556 WeakPolarHBondContact O-CA 3.42Å; W484-M556 HydrophobicContact CD2-CE 4.14Å; W484-M556 HydrophobicContact CE3-CE 4.13Å; W484-M556 HydrophobicContact CH2-CE 3.24Å; W484-M556 HydrophobicContact CZ2-CE 3.2Å; W484-M556 HydrophobicContact CZ3-CE 3.71Å; M487-M556 HydrophobicContact CE-CE 4.45Å; M487-M556 HydrophobicContact CE-SD 3.7Å; M487-M556 HydrophobicContact SD-CE 4.41Å; M487-M556 HydrophobicContact SD-SD 3.64Å; M487-M556 VanDerWaalsContact SD-SD 3.64Å; Y554-M556 HydrophobicContact CD1-CB 4.17Å; Y554-M556 HydrophobicContact CE1-CB 4.49Å; M556-I558 PolarHBondContact O-N 2.54Å; M556-M566 CarbonylContact O-C 3.13Å; M556-M566 WeakPolarHBondContact O-CA 3.35Å; M556-W567 HydrophobicContact CB-CB 4.3Å; M556-W567 PolarHBondContact N-O 3.03Å; M556-W567 PolarHBondContact O-N 2.95Å
557Q96.1Very high95.5Very high4 Ų430.5 Ų30.52%0.01916%0.155CC..EExtended strand (participates in β ladder)trans-56.9137.6173.5-71.3177.8-2300110.9G259 M260 N267 N289 R559 M566G259-Q557 VanDerWaalsContact C-CD 3.45Å; M260-Q557 PolarHBondContact O-N 3.31Å; N267-Q557 PolarHBondContact OD1-NE2 3.21Å; N289-Q557 VanDerWaalsContact CB-OE1 3.3Å; Q557-R559 PolarHBondContact O-N 3.01Å; Q557-M566 HydrophobicContact CG-CE 4.15Å; Q557-M566 HydrophobicContact CG-CG 4.41Å
558I94.8Very high95.4Very high43 Ų4330.5 Ų30.522%0.22115%0.154CC..PPolyproline II helixtrans-69.7127.6175.3-60.5178.7000108N289 M556 G560 G561 E565 W567N289-I558 PolarHBondContact ND2-O 2.69Å; M556-I558 PolarHBondContact O-N 2.54Å; I558-G560 PolarHBondContact O-N 3.21Å; I558-G560 VanDerWaalsContact O-N 3.15Å; I558-G561 WeakPolarHBondContact O-CA 3.5Å; I558-G561 PolarHBondContact O-N 3.01Å; I558-E565 HydrophobicContact CB-CB 4.34Å; I558-E565 HydrophobicContact CD1-CB 4.28Å; I558-E565 PolarHBondContact N-O 3.38Å; I558-W567 HydrophobicContact CG1-CG 4.4Å
559R91.6Very high95.2Very high192 Ų19231.7 Ų31.773%0.72516%0.163SC*.THydrogen-bonded Turntrans-54.5121.8-179.3-177.1179.9-179.6-174.60.1110.9Q557 G561Q557-R559 PolarHBondContact O-N 3.01Å; R559-G561 PolarHBondContact O-N 3.03Å
560G92.6Very high95Very high36 Ų3636.2 Ų36.237%0.37118%0.178SC..THydrogen-bonded Turntrans78.60.6-178.800000114.8N289 N290 I558N289-G560 PolarHBondContact OD1-N 3.21Å; N289-G560 VanDerWaalsContact OD1-N 3.11Å; N290-G560 WeakPolarHBondContact CB-O 3.49Å; N290-G560 PolarHBondContact ND2-O 3.29Å; I558-G560 PolarHBondContact O-N 3.21Å; I558-G560 VanDerWaalsContact O-N 3.15Å
561G94.7Very high94.8Very high2 Ų240.3 Ų40.32%0.02120%0.2CC..SBendtrans-78.5172.5170.300000113.2N289 N290 I558 R559 E565N289-G561 PolarHBondContact ND2-O 3.02Å; N290-G561 VanDerWaalsContact CB-O 3.22Å; N290-G561 WeakPolarHBondContact CB-O 3.39Å; I558-G561 WeakPolarHBondContact O-CA 3.5Å; I558-G561 PolarHBondContact O-N 3.01Å; R559-G561 PolarHBondContact O-N 3.03Å; G561-E565 WeakPolarHBondContact CA-OE2 3.39Å
562G94.5Very high94.6Very high1 Ų142.8 Ų42.81%0.0121%0.212CC..  trans-70.5179.5165.800000112D564 E565G562-D564 PolarHBondContact O-N 2.96Å; G562-E565 PolarHBondContact N-OE2 3.46Å; G562-E565 PolarHBondContact O-N 3.49Å
563M95Very high94.4Very high0 Ų050.1 Ų50.10%024%0.239CC..THydrogen-bonded Turntrans-66.4-28.4174.9-67.8-166.875.900112.9L258 N267 M270 H271 Y294 E565L258-M563 HydrophobicContact CB-CE 4.35Å; L258-M563 HydrophobicContact CD1-CE 3.61Å; N267-M563 HydrophobicContact CB-CE 4.49Å; N267-M563 WeakPolarHBondContact CB-O 3.24Å; N267-M563 VanDerWaalsContact OD1-CE 3.27Å; N267-M563 WeakPolarHBondContact OD1-CE 3.17Å; M270-M563 HydrophobicContact CB-CE 3.56Å; M270-M563 HydrophobicContact CB-SD 3.61Å; M270-M563 HydrophobicContact CG-CE 4.06Å; H271-M563 HydrophobicContact CB-CB 4.04Å; Y294-M563 HydrophobicContact CD2-CG 3.93Å; Y294-M563 HydrophobicContact CD2-SD 3.74Å; Y294-M563 HydrophobicContact CE2-CE 4.35Å; Y294-M563 HydrophobicContact CE2-CG 4.04Å; Y294-M563 HydrophobicContact CE2-SD 3.29Å; Y294-M563 WeakPolarHBondContact CE2-SD 3.35Å; M563-E565 VanDerWaalsContact C-N 3.35Å
564D95.3Very high93.9Very high48 Ų4854.3 Ų54.326%0.25727%0.265SS..THydrogen-bonded Turntrans-80.3-11.5179.261.4-36000114M268 H271 G562 T574M268-D564 HydrophobicContact CE-CB 4.12Å; M268-D564 HydrophobicContact SD-CB 3.6Å; M268-D564 VanDerWaalsContact SD-CB 3.6Å; H271-D564 HydrophobicContact CB-CB 4.11Å; H271-D564 IonicContact CD2-OD2 2.95Å; H271-D564 VanDerWaalsContact CE1-CG 3.46Å; H271-D564 IonicContact CE1-OD1 3.88Å; H271-D564 PolarHBondContact CE1-OD1 3.42Å; H271-D564 IonicContact CE1-OD2 3.48Å; H271-D564 IonicContact CG-OD1 2.75Å; H271-D564 IonicContact ND1-OD1 2.61Å; H271-D564 PolarHBondContact ND1-OD1 2.86Å; H271-D564 IonicContact NE2-OD1 3.49Å; H271-D564 IonicContact NE2-OD2 3.47Å; G562-D564 PolarHBondContact O-N 2.96Å; D564-T574 WeakPolarHBondContact O-CB 3.46Å; D564-T574 PolarHBondContact O-OG1 3.31Å
565E96.5Very high93.8Very high63 Ų6355.4 Ų55.429%0.29427%0.272SS..  trans-93.898.5179.9-64.3-176.487.900110K293 I558 G561 G562 M563 T574K293-E565 IonicContact NZ-OE1 2.8Å; K293-E565 IonicContact NZ-OE2 3.5Å; K293-E565 PolarHBondContact NZ-OE2 3.46Å; I558-E565 HydrophobicContact CB-CB 4.34Å; I558-E565 HydrophobicContact CD1-CB 4.28Å; I558-E565 PolarHBondContact N-O 3.38Å; G561-E565 WeakPolarHBondContact CA-OE2 3.39Å; G562-E565 PolarHBondContact N-OE2 3.46Å; G562-E565 PolarHBondContact O-N 3.49Å; M563-E565 VanDerWaalsContact C-N 3.35Å; E565-T574 WeakPolarHBondContact CA-OG1 3.49Å
566M96.7Very high93.6Very high0 Ų058.3 Ų58.30%029%0.286CS..EExtended strand (participates in β ladder)trans-134.5143.8-171.6-53.9-172.882.500113.2Y264 N267 P555 M556 Q557 L568 R573 T574Y264-M566 HydrophobicContact CD2-SD 4.15Å; N267-M566 HydrophobicContact CB-CE 4.14Å; N267-M566 HydrophobicContact CB-SD 3.62Å; N267-M566 VanDerWaalsContact ND2-CE 3.25Å; N267-M566 WeakPolarHBondContact ND2-CE 3.35Å; P555-M566 HydrophobicContact CB-CE 3.44Å; P555-M566 VanDerWaalsContact CB-CE 3.44Å; P555-M566 HydrophobicContact CB-SD 4.43Å; P555-M566 HydrophobicContact CG-CE 4.49Å; M556-M566 CarbonylContact O-C 3.13Å; M556-M566 WeakPolarHBondContact O-CA 3.35Å; Q557-M566 HydrophobicContact CG-CE 4.15Å; Q557-M566 HydrophobicContact CG-CG 4.41Å; M566-L568 HydrophobicContact CB-CD2 4.13Å; M566-R573 CarbonylContact O-C 3.52Å; M566-R573 VanDerWaalsContact O-CA 3.23Å; M566-R573 WeakPolarHBondContact O-CA 3.33Å; M566-T574 HydrophobicContact CB-CG2 4.13Å; M566-T574 PolarHBondContact N-OG1 2.91Å; M566-T574 PolarHBondContact O-N 3.42Å
567W96.2Very high93.4Very high78 Ų7861.3 Ų61.330%0.29530%0.301SS..EExtended strand (participates in β ladder)trans-78.1131.8155.6-60.5100.5000109.4M487 Y554 P555 M556 I558 R573M487-W567 HydrophobicContact CE-CG 4.2Å; Y554-W567 HydrophobicContact CD1-CB 3.93Å; Y554-W567 HydrophobicContact CE1-CB 3.74Å; P555-W567 CarbonylContact C-O 3.38Å; P555-W567 VanDerWaalsContact CA-O 3.28Å; P555-W567 WeakPolarHBondContact CA-O 3.34Å; M556-W567 HydrophobicContact CB-CB 4.3Å; M556-W567 PolarHBondContact N-O 3.03Å; M556-W567 PolarHBondContact O-N 2.95Å; I558-W567 HydrophobicContact CG1-CG 4.4Å; W567-R573 HydrophobicContact CE3-CB 4.02Å; W567-R573 HydrophobicContact CZ3-CB 4.19Å
568L95.3Very high93.2Very high14 Ų1464.7 Ų64.77%0.07332%0.317CS..EExtended strand (participates in β ladder)trans-112.1-22.7179.5-59.2177.6000112.4Y264 R360 Y554 P555 M566 E572 T574Y264-L568 HydrophobicContact CD2-CD1 4.4Å; Y264-L568 HydrophobicContact CD2-CD2 3.94Å; Y264-L568 HydrophobicContact CG-CD2 4.19Å; R360-L568 VanDerWaalsContact NE-CD1 3.25Å; Y554-L568 WeakPolarHBondContact CB-O 3.45Å; P555-L568 HydrophobicContact CB-CD2 3.92Å; P555-L568 HydrophobicContact CG-CD2 4.06Å; M566-L568 HydrophobicContact CB-CD2 4.13Å; L568-E572 HydrophobicContact CB-CB 4.48Å; L568-E572 HydrophobicContact CB-CG 4.38Å; L568-E572 PolarHBondContact N-O 3.19Å; L568-T574 HydrophobicContact CD1-CG2 3.99Å; L568-T574 HydrophobicContact CG-CG2 4.33Å
569S93.2Very high93.1Very high34 Ų3466.1 Ų66.124%0.23832%0.323CS..EExtended strand (participates in β ladder)trans-152.6-178.7167.769.80000108.6T571 E572S569-T571 PolarHBondContact O-N 3.2Å; S569-T571 VanDerWaalsContact O-N 3.08Å; S569-T571 PolarHBondContact OG-N 2.76Å; S569-T571 PolarHBondContact OG-OG1 3.16Å; S569-E572 PolarHBondContact N-O 2.89Å; S569-E572 PolarHBondContact O-N 2.97Å; S569-E572 WeakPolarHBondContact OG-CB 3.47Å; S569-E572 PolarHBondContact OG-N 2.72Å
570K89Confident93.2Very high114 Ų11457.7 Ų57.750%0.49630%0.297SS..THydrogen-bonded Turntrans-57.8-22.2174.3-65.9-178.4178.7173.10113.3S550 Y554S550-K570 PolarHBondContact O-NZ 2.75Å; Y554-K570 HydrophobicContact CE2-CG 3.76Å
571T88.4Confident93.3Very high136 Ų13659.2 Ų59.283%0.83429%0.291SS*.THydrogen-bonded Turntrans-121.1-3.2-172.752.70000113.7S569S569-T571 PolarHBondContact O-N 3.2Å; S569-T571 VanDerWaalsContact O-N 3.08Å; S569-T571 PolarHBondContact OG-N 2.76Å; S569-T571 PolarHBondContact OG-OG1 3.16Å
572E92.3Very high93.2Very high82 Ų8263.6 Ų63.638%0.38331%0.312SS..EExtended strand (participates in β ladder)trans-126.9133.2-172.6-170.9-179.3-179.100111.3R360 L568 S569R360-E572 IonicContact CZ-OE1 2.83Å; R360-E572 IonicContact NE-OE1 3.24Å; R360-E572 PolarHBondContact NE-OE1 3.45Å; R360-E572 IonicContact NH2-OE1 2.7Å; R360-E572 PolarHBondContact NH2-OE1 2.81Å; L568-E572 HydrophobicContact CB-CB 4.48Å; L568-E572 HydrophobicContact CB-CG 4.38Å; L568-E572 PolarHBondContact N-O 3.19Å; S569-E572 PolarHBondContact N-O 2.89Å; S569-E572 PolarHBondContact O-N 2.97Å; S569-E572 WeakPolarHBondContact OG-CB 3.47Å; S569-E572 PolarHBondContact OG-N 2.72Å
573R90.6Very high93Very high169 Ų16968.8 Ų68.864%0.63834%0.337SS*.EExtended strand (participates in β ladder)trans-130.1160.9172.466.7-179.4-175.9-175.21.4110.1M566 W567M566-R573 CarbonylContact O-C 3.52Å; M566-R573 VanDerWaalsContact O-CA 3.23Å; M566-R573 WeakPolarHBondContact O-CA 3.33Å; W567-R573 HydrophobicContact CE3-CB 4.02Å; W567-R573 HydrophobicContact CZ3-CB 4.19Å
574T88.2Confident92.9Very high88 Ų8875.1 Ų75.154%0.5437%0.368SS..  trans-71.50174.454.10000113.5Y264 D564 E565 M566 L568Y264-T574 HydrophobicContact CD2-CG2 3.98Å; Y264-T574 HydrophobicContact CE2-CG2 3.4Å; D564-T574 WeakPolarHBondContact O-CB 3.46Å; D564-T574 PolarHBondContact O-OG1 3.31Å; E565-T574 WeakPolarHBondContact CA-OG1 3.49Å; M566-T574 HydrophobicContact CB-CG2 4.13Å; M566-T574 PolarHBondContact N-OG1 2.91Å; M566-T574 PolarHBondContact O-N 3.42Å; L568-T574 HydrophobicContact CD1-CG2 3.99Å; L568-T574 HydrophobicContact CG-CG2 4.33Å

Retrieved 574 of 574 residues in 305 ms (Link to these results)

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