A0A087X4N8_POEFO Loading...

Protein phosphatase 1E

AlphaFold DB , UniProt , Accession A0A087X4N8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 476 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
1M40.7Very low70.2Confident224 Ų22480.5 Ų80.5100%1.10349%0.494SS*.  0-38.90-68.9-130.2-90.200113.9G3M1-G3 PolarHBondContact O-N 3.24Å
2A36.8Very low72Confident90 Ų9081.5 Ų81.574%0.74448%0.482SS*.Hα-helixtrans-67.4-32.8-179.700000115.3
3G54.3Low73.7Confident53 Ų5384.8 Ų84.855%0.54648%0.481SS..Hα-helixtrans-68-42.6179.600000114.2M1 A5 A6 E7M1-G3 PolarHBondContact O-N 3.24Å; G3-A5 VanDerWaalsContact C-N 3.34Å; G3-A5 PolarHBondContact O-N 2.8Å; G3-A6 PolarHBondContact O-N 3.42Å; G3-E7 PolarHBondContact O-N 3.24Å; G3-E7 VanDerWaalsContact O-N 3.16Å
4S61.3Low75.3Confident83 Ų8380.2 Ų80.258%0.5845%0.453SS*.Hα-helixtrans-62.5-37.5-179.6168.20000112.8E8S4-E8 WeakPolarHBondContact O-CB 3.3Å; S4-E8 PolarHBondContact O-N 3.43Å
5A69.7Low76.6Confident48 Ų4874.9 Ų74.940%0.39742%0.423SS..Hα-helixtrans-74.2-25.5178.600000113.9G3 K9G3-A5 VanDerWaalsContact C-N 3.34Å; G3-A5 PolarHBondContact O-N 2.8Å; A5-K9 WeakPolarHBondContact O-CD 3.39Å; A5-K9 VanDerWaalsContact O-CG 3.3Å; A5-K9 WeakPolarHBondContact O-CG 3.47Å
6A75.7Confident77.8Confident56 Ų5675.3 Ų75.346%0.46342%0.42SS..Hα-helixtrans-77.1-40.6175.700000111.2G3 K9 T10G3-A6 PolarHBondContact O-N 3.42Å; A6-K9 WeakPolarHBondContact O-CB 3.47Å; A6-K9 PolarHBondContact O-N 3.09Å; A6-T10 PolarHBondContact O-N 3.26Å; A6-T10 PolarHBondContact O-OG1 3.33Å
7E77.9Confident78.8Confident31 Ų3172.8 Ų72.815%0.14541%0.406CS..Hα-helixtrans-69.9-40.7178.7-171.8167.2-144.200112.3G3 K9 T10 F11 R140G3-E7 PolarHBondContact O-N 3.24Å; G3-E7 VanDerWaalsContact O-N 3.16Å; E7-K9 PolarHBondContact O-N 2.89Å; E7-T10 WeakPolarHBondContact O-CA 3.18Å; E7-T10 VanDerWaalsContact O-CB 3.29Å; E7-T10 WeakPolarHBondContact O-CB 3.34Å; E7-T10 PolarHBondContact O-N 3.4Å; E7-F11 HydrophobicContact CG-CD1 4.45Å; E7-F11 HydrophobicContact CG-CE1 3.72Å; E7-F11 HydrophobicContact CG-CE2 3.87Å; E7-F11 HydrophobicContact CG-CZ 3.39Å; E7-F11 WeakPolarHBondContact O-CG 3.43Å; E7-F11 PolarHBondContact O-N 2.77Å; E7-R140 WeakPolarHBondContact OE1-CD 3.19Å; E7-R140 IonicContact OE1-CZ 3.03Å; E7-R140 IonicContact OE1-NE 3.86Å; E7-R140 IonicContact OE1-NH1 2.76Å; E7-R140 PolarHBondContact OE1-NH1 3.12Å; E7-R140 WeakPolarHBondContact OE2-CD 3.37Å; E7-R140 IonicContact OE2-CZ 2.88Å; E7-R140 IonicContact OE2-NE 3.04Å; E7-R140 IonicContact OE2-NH1 3.27Å; E7-R140 PolarHBondContact OE2-NH1 3.04Å
8E84.5Confident79.7Confident74 Ų7468.9 Ų68.935%0.34638%0.384SS..Hα-helixtrans-57.1-40.2172.8-170.8-173.9158.400111.8S4 T10 F11 R12 L136S4-E8 WeakPolarHBondContact O-CB 3.3Å; S4-E8 PolarHBondContact O-N 3.43Å; E8-T10 VanDerWaalsContact C-N 3.33Å; E8-T10 PolarHBondContact O-N 3.26Å; E8-F11 PolarHBondContact O-N 3.5Å; E8-R12 WeakPolarHBondContact O-CB 3.33Å; E8-R12 WeakPolarHBondContact O-CG 3.45Å; E8-R12 PolarHBondContact O-N 3.22Å; E8-R12 IonicContact OE1-CZ 3.04Å; E8-R12 VanDerWaalsContact OE1-CZ 3.27Å; E8-R12 IonicContact OE1-NE 4Å; E8-R12 PolarHBondContact OE1-NE 3.39Å; E8-R12 IonicContact OE1-NH2 3.27Å; E8-R12 PolarHBondContact OE1-NH2 3.17Å; E8-L136 HydrophobicContact CG-CD2 3.89Å
9K88.3Confident80.4Confident151 Ų15166.5 Ų66.566%0.65737%0.371SS*.Hα-helixtrans-62.9-40.5174.5-71.6171.8-174.8-179.40111.5A5 A6 E7 R13A5-K9 WeakPolarHBondContact O-CD 3.39Å; A5-K9 VanDerWaalsContact O-CG 3.3Å; A5-K9 WeakPolarHBondContact O-CG 3.47Å; A6-K9 WeakPolarHBondContact O-CB 3.47Å; A6-K9 PolarHBondContact O-N 3.09Å; E7-K9 PolarHBondContact O-N 2.89Å; K9-R13 WeakPolarHBondContact O-CB 3.3Å; K9-R13 PolarHBondContact O-N 3.05Å
10T90.2Very high81Confident70 Ų7072.1 Ų72.143%0.42939%0.386SS..Hα-helixtrans-61-45.4174.7-57.10000111.1A6 E7 E8 R13 F14 P64A6-T10 PolarHBondContact O-N 3.26Å; A6-T10 PolarHBondContact O-OG1 3.33Å; E7-T10 WeakPolarHBondContact O-CA 3.18Å; E7-T10 VanDerWaalsContact O-CB 3.29Å; E7-T10 WeakPolarHBondContact O-CB 3.34Å; E7-T10 PolarHBondContact O-N 3.4Å; E8-T10 VanDerWaalsContact C-N 3.33Å; E8-T10 PolarHBondContact O-N 3.26Å; T10-R13 PolarHBondContact O-N 2.76Å; T10-F14 WeakPolarHBondContact O-CB 3.05Å; T10-F14 PolarHBondContact O-N 3.48Å; T10-P64 HydrophobicContact CG2-CG 4.1Å
11F92.3Very high81.5Confident5 Ų573.7 Ų73.72%0.02239%0.391CS..Hα-helixtrans-64.6-47.4178.9-64-11.7000112.2E7 E8 R13 F14 L15 P64 S66 L67 L136 F138E7-F11 HydrophobicContact CG-CD1 4.45Å; E7-F11 HydrophobicContact CG-CE1 3.72Å; E7-F11 HydrophobicContact CG-CE2 3.87Å; E7-F11 HydrophobicContact CG-CZ 3.39Å; E7-F11 WeakPolarHBondContact O-CG 3.43Å; E7-F11 PolarHBondContact O-N 2.77Å; E8-F11 PolarHBondContact O-N 3.5Å; F11-R13 VanDerWaalsContact C-N 3.26Å; F11-R13 PolarHBondContact O-N 2.88Å; F11-F14 PolarHBondContact O-N 3.38Å; F11-L15 WeakPolarHBondContact O-CG 3.29Å; F11-L15 PolarHBondContact O-N 3.16Å; F11-P64 HydrophobicContact CD1-CB 4.11Å; F11-P64 HydrophobicContact CD1-CG 3.94Å; F11-P64 HydrophobicContact CE1-CB 3.57Å; F11-P64 HydrophobicContact CE1-CG 3.88Å; F11-S66 VanDerWaalsContact CZ-OG 3.29Å; F11-S66 WeakPolarHBondContact CZ-OG 3.5Å; F11-L67 HydrophobicContact CB-CD1 4.45Å; F11-L67 HydrophobicContact CB-CD2 3.87Å; F11-L67 HydrophobicContact CD1-CB 3.9Å; F11-L67 HydrophobicContact CD1-CD2 3.95Å; F11-L67 HydrophobicContact CD1-CG 4.45Å; F11-L67 HydrophobicContact CE1-CB 3.99Å; F11-L67 HydrophobicContact CG-CB 4.21Å; F11-L67 HydrophobicContact CG-CD1 4.39Å; F11-L67 HydrophobicContact CG-CD2 4Å; F11-L67 HydrophobicContact CG-CG 4.44Å; F11-L67 HydrophobicContact CZ-CB 4.35Å; F11-L136 HydrophobicContact CB-CD2 4.17Å; F11-L136 HydrophobicContact CD2-CD2 4.22Å; F11-F138 HydrophobicContact CD2-CD1 4.07Å; F11-F138 HydrophobicContact CD2-CE1 4.48Å; F11-F138 AromaticContact CE2-CD1 3.6Å; F11-F138 HydrophobicContact CE2-CD1 3.6Å; F11-F138 AromaticContact CE2-CE1 3.59Å; F11-F138 HydrophobicContact CE2-CE1 3.59Å; F11-F138 HydrophobicContact CZ-CE1 4.27Å
12R92.6Very high83.7Confident93 Ų9364.3 Ų64.335%0.35135%0.345SS..Hα-helixtrans-59.4-40.7175.8-71.6-178.2-176.4-79.61.3111.5E8 L15 E16E8-R12 WeakPolarHBondContact O-CB 3.33Å; E8-R12 WeakPolarHBondContact O-CG 3.45Å; E8-R12 PolarHBondContact O-N 3.22Å; E8-R12 IonicContact OE1-CZ 3.04Å; E8-R12 VanDerWaalsContact OE1-CZ 3.27Å; E8-R12 IonicContact OE1-NE 4Å; E8-R12 PolarHBondContact OE1-NE 3.39Å; E8-R12 IonicContact OE1-NH2 3.27Å; E8-R12 PolarHBondContact OE1-NH2 3.17Å; R12-L15 PolarHBondContact O-N 3.37Å; R12-E16 WeakPolarHBondContact O-CB 3.46Å; R12-E16 PolarHBondContact O-N 3.07Å
13R94Very high85.8Confident125 Ų12571.1 Ų71.147%0.47235%0.351SS..Hα-helixtrans-65.6-42.8177-178.555.1173.9-180-0.9112.2K9 T10 F11 E16 L17K9-R13 WeakPolarHBondContact O-CB 3.3Å; K9-R13 PolarHBondContact O-N 3.05Å; T10-R13 PolarHBondContact O-N 2.76Å; F11-R13 VanDerWaalsContact C-N 3.26Å; F11-R13 PolarHBondContact O-N 2.88Å; R13-E16 IonicContact CZ-OE2 3.91Å; R13-E16 IonicContact NH1-OE1 2.69Å; R13-E16 IonicContact NH1-OE2 2.9Å; R13-E16 PolarHBondContact NH1-OE2 3.14Å; R13-E16 PolarHBondContact O-N 2.98Å; R13-L17 HydrophobicContact CG-CD1 4.23Å; R13-L17 WeakPolarHBondContact O-CG 3.33Å; R13-L17 PolarHBondContact O-N 3.26Å; R13-L17 VanDerWaalsContact O-N 3.12Å
14F95.4Very high87.1Confident20 Ų2070.3 Ų70.39%0.08833%0.334CS..Hα-helixtrans-59.2-52.9174.6172.4-92.3000110.6T10 F11 E16 L17 F18 L58 Y61 C63 L67T10-F14 WeakPolarHBondContact O-CB 3.05Å; T10-F14 PolarHBondContact O-N 3.48Å; F11-F14 PolarHBondContact O-N 3.38Å; F14-E16 VanDerWaalsContact C-N 3.3Å; F14-E16 PolarHBondContact O-N 3.35Å; F14-L17 PolarHBondContact O-N 3.06Å; F14-L17 VanDerWaalsContact O-N 3.12Å; F14-F18 HydrophobicContact CD1-CB 4.43Å; F14-F18 HydrophobicContact CE1-CB 3.98Å; F14-F18 HydrophobicContact CE1-CD2 4.09Å; F14-F18 HydrophobicContact CE1-CG 4.04Å; F14-F18 HydrophobicContact CE2-CB 4.49Å; F14-F18 HydrophobicContact CE2-CD2 4.22Å; F14-F18 HydrophobicContact CZ-CB 4.01Å; F14-F18 AromaticContact CZ-CD2 3.5Å; F14-F18 HydrophobicContact CZ-CD2 3.5Å; F14-F18 HydrophobicContact CZ-CE2 4.11Å; F14-F18 AromaticContact CZ-CG 3.92Å; F14-F18 HydrophobicContact CZ-CG 3.92Å; F14-F18 VanDerWaalsContact O-CB 3.28Å; F14-F18 WeakPolarHBondContact O-CB 3.49Å; F14-F18 PolarHBondContact O-N 3.39Å; F14-L58 HydrophobicContact CE1-CD2 4.1Å; F14-L58 HydrophobicContact CZ-CD2 4.07Å; F14-Y61 WeakPolarHBondContact CE2-O 3.2Å; F14-C63 HydrophobicContact CD2-CB 4.27Å; F14-C63 HydrophobicContact CE1-CB 3.87Å; F14-C63 WeakPolarHBondContact CE1-SG 3.42Å; F14-C63 HydrophobicContact CE2-CB 3.57Å; F14-C63 HydrophobicContact CZ-CB 3.34Å; F14-C63 VanDerWaalsContact CZ-SG 3.59Å; F14-L67 HydrophobicContact CB-CD2 4.33Å; F14-L67 HydrophobicContact CD1-CD2 3.56Å; F14-L67 HydrophobicContact CE1-CD2 4.3Å; F14-L67 HydrophobicContact CG-CD2 4.22Å
15L95.8Very high88.3Confident0 Ų070 Ų700%033%0.331CS..Hα-helixtrans-56.8-43.6-179.8-70.8169.2000112F11 R12 L17 F18 V19 L67 L71 C129 W132 Q133 L136F11-L15 WeakPolarHBondContact O-CG 3.29Å; F11-L15 PolarHBondContact O-N 3.16Å; R12-L15 PolarHBondContact O-N 3.37Å; L15-L17 PolarHBondContact O-N 3.44Å; L15-F18 PolarHBondContact O-N 3.09Å; L15-V19 VanDerWaalsContact O-CB 3.3Å; L15-V19 WeakPolarHBondContact O-CB 3.29Å; L15-V19 VanDerWaalsContact O-CG2 3.25Å; L15-V19 WeakPolarHBondContact O-CG2 3.48Å; L15-V19 PolarHBondContact O-N 3.48Å; L15-L67 HydrophobicContact CG-CD2 4.36Å; L15-L71 HydrophobicContact CD2-CD1 4.15Å; L15-L71 HydrophobicContact CD2-CD2 4.42Å; L15-C129 HydrophobicContact CD2-CB 4.03Å; L15-W132 HydrophobicContact CD1-CB 4.02Å; L15-Q133 HydrophobicContact CB-CB 4.37Å; L15-L136 HydrophobicContact CD1-CD1 3.84Å
16E94.9Very high89.2Confident81 Ų8168.7 Ų68.738%0.37932%0.317SS..Hα-helixtrans-59-46.4176.4-172.7-162.4175.300112.5R12 R13 F14 R20R12-E16 WeakPolarHBondContact O-CB 3.46Å; R12-E16 PolarHBondContact O-N 3.07Å; R13-E16 IonicContact CZ-OE2 3.91Å; R13-E16 IonicContact NH1-OE1 2.69Å; R13-E16 IonicContact NH1-OE2 2.9Å; R13-E16 PolarHBondContact NH1-OE2 3.14Å; R13-E16 PolarHBondContact O-N 2.98Å; F14-E16 VanDerWaalsContact C-N 3.3Å; F14-E16 PolarHBondContact O-N 3.35Å; E16-R20 VanDerWaalsContact O-CB 3.3Å; E16-R20 WeakPolarHBondContact O-CB 3.42Å; E16-R20 PolarHBondContact O-N 2.92Å
17L94.9Very high89.9Confident33 Ų3371.5 Ų71.517%0.17332%0.32CS..Hα-helixtrans-70.1-44.5-179.9-69.1174.8000111.8R13 F14 L15 R20 E21 L469R13-L17 HydrophobicContact CG-CD1 4.23Å; R13-L17 WeakPolarHBondContact O-CG 3.33Å; R13-L17 PolarHBondContact O-N 3.26Å; R13-L17 VanDerWaalsContact O-N 3.12Å; F14-L17 PolarHBondContact O-N 3.06Å; F14-L17 VanDerWaalsContact O-N 3.12Å; L15-L17 PolarHBondContact O-N 3.44Å; L17-R20 PolarHBondContact O-N 3.03Å; L17-E21 WeakPolarHBondContact O-CB 3.49Å; L17-E21 PolarHBondContact O-N 2.79Å; L17-L469 HydrophobicContact CD1-CD1 3.82Å
18F94.6Very high90.2Very high4 Ų478.2 Ų78.22%0.01835%0.352CS..Hα-helixtrans-61.9-52.4-179.4-174.4-93.5000111.1F14 L15 R20 E21 M22 H57 L58 Y61 L125 C129F14-F18 HydrophobicContact CD1-CB 4.43Å; F14-F18 HydrophobicContact CE1-CB 3.98Å; F14-F18 HydrophobicContact CE1-CD2 4.09Å; F14-F18 HydrophobicContact CE1-CG 4.04Å; F14-F18 HydrophobicContact CE2-CB 4.49Å; F14-F18 HydrophobicContact CE2-CD2 4.22Å; F14-F18 HydrophobicContact CZ-CB 4.01Å; F14-F18 AromaticContact CZ-CD2 3.5Å; F14-F18 HydrophobicContact CZ-CD2 3.5Å; F14-F18 HydrophobicContact CZ-CE2 4.11Å; F14-F18 AromaticContact CZ-CG 3.92Å; F14-F18 HydrophobicContact CZ-CG 3.92Å; F14-F18 VanDerWaalsContact O-CB 3.28Å; F14-F18 WeakPolarHBondContact O-CB 3.49Å; F14-F18 PolarHBondContact O-N 3.39Å; L15-F18 PolarHBondContact O-N 3.09Å; F18-R20 PolarHBondContact O-N 2.83Å; F18-E21 PolarHBondContact O-N 3.29Å; F18-E21 VanDerWaalsContact O-N 3.09Å; F18-M22 HydrophobicContact CD1-CE 4.19Å; F18-M22 HydrophobicContact CD1-CG 4.19Å; F18-M22 HydrophobicContact CD2-CE 3.68Å; F18-M22 HydrophobicContact CE1-CE 3.7Å; F18-M22 HydrophobicContact CE1-CG 4.05Å; F18-M22 HydrophobicContact CE2-CE 3.14Å; F18-M22 HydrophobicContact CG-CE 4.2Å; F18-M22 HydrophobicContact CZ-CE 3.17Å; F18-M22 HydrophobicContact CZ-CG 4.45Å; F18-M22 WeakPolarHBondContact O-CG 3.22Å; F18-M22 PolarHBondContact O-N 2.96Å; F18-M22 VanDerWaalsContact O-N 3.1Å; F18-H57 AromaticContact CZ-CD2 3.85Å; F18-L58 HydrophobicContact CE1-CD2 4.34Å; F18-L58 HydrophobicContact CE2-CD2 3.89Å; F18-L58 HydrophobicContact CZ-CD2 3.73Å; F18-Y61 HydrophobicContact CD2-CD2 4.07Å; F18-Y61 HydrophobicContact CD2-CG 4.05Å; F18-Y61 AromaticContact CE2-CD2 3.71Å; F18-Y61 HydrophobicContact CE2-CD2 3.71Å; F18-Y61 HydrophobicContact CE2-CE2 4.35Å; F18-Y61 HydrophobicContact CE2-CG 4.15Å; F18-L125 HydrophobicContact CZ-CD2 4.43Å; F18-C129 HydrophobicContact CD1-CB 4.36Å
19V94.2Very high90.1Very high23 Ų2377.9 Ų77.914%0.13937%0.368CS..Hα-helixtrans-59.4-36.9178.4170.10000111.5L15 F126 C129L15-V19 VanDerWaalsContact O-CB 3.3Å; L15-V19 WeakPolarHBondContact O-CB 3.29Å; L15-V19 VanDerWaalsContact O-CG2 3.25Å; L15-V19 WeakPolarHBondContact O-CG2 3.48Å; L15-V19 PolarHBondContact O-N 3.48Å; V19-F126 HydrophobicContact CB-CE2 4.32Å; V19-F126 HydrophobicContact CG1-CE2 3.89Å; V19-F126 HydrophobicContact CG1-CZ 4.22Å; V19-F126 HydrophobicContact CG2-CE2 4.45Å; V19-C129 HydrophobicContact CG2-CB 3.84Å
20R92.4Very high90.1Very high177 Ų17773.7 Ų73.767%0.66835%0.353SS*.Hα-helixtrans-69.7-31.5178.2-172.6-178.969.8175.44.9113.2E16 L17 F18E16-R20 VanDerWaalsContact O-CB 3.3Å; E16-R20 WeakPolarHBondContact O-CB 3.42Å; E16-R20 PolarHBondContact O-N 2.92Å; L17-R20 PolarHBondContact O-N 3.03Å; F18-R20 PolarHBondContact O-N 2.83Å
21E90.2Very high90Very high106 Ų10675.9 Ų75.950%0.49537%0.368SS..Hα-helixtrans-80.5-29.2-179.2-173.4163.8-176.100112.5L17 F18 Y61L17-E21 WeakPolarHBondContact O-CB 3.49Å; L17-E21 PolarHBondContact O-N 2.79Å; F18-E21 PolarHBondContact O-N 3.29Å; F18-E21 VanDerWaalsContact O-N 3.09Å; E21-Y61 HydrophobicContact CG-CE1 4.23Å; E21-Y61 WeakPolarHBondContact OE1-CE1 3.33Å; E21-Y61 WeakPolarHBondContact OE2-CE1 3.24Å
22M87.8Confident90Very high27 Ų2776.6 Ų76.613%0.13337%0.373CS..  trans-71.6137.1-177.8-68.3-50.7171.200113.7F18 L24 H57 Y61 F126F18-M22 HydrophobicContact CD1-CE 4.19Å; F18-M22 HydrophobicContact CD1-CG 4.19Å; F18-M22 HydrophobicContact CD2-CE 3.68Å; F18-M22 HydrophobicContact CE1-CE 3.7Å; F18-M22 HydrophobicContact CE1-CG 4.05Å; F18-M22 HydrophobicContact CE2-CE 3.14Å; F18-M22 HydrophobicContact CG-CE 4.2Å; F18-M22 HydrophobicContact CZ-CE 3.17Å; F18-M22 HydrophobicContact CZ-CG 4.45Å; F18-M22 WeakPolarHBondContact O-CG 3.22Å; F18-M22 PolarHBondContact O-N 2.96Å; F18-M22 VanDerWaalsContact O-N 3.1Å; M22-L24 HydrophobicContact CB-CD1 3.8Å; M22-L24 HydrophobicContact CB-CG 4.09Å; M22-L24 HydrophobicContact CG-CD1 4.07Å; M22-H57 WeakPolarHBondContact CE-NE2 3.36Å; M22-Y61 HydrophobicContact CE-CD2 4.05Å; M22-Y61 HydrophobicContact CE-CE2 3.59Å; M22-F126 HydrophobicContact CB-CD2 3.74Å; M22-F126 HydrophobicContact CB-CE2 3.72Å; M22-F126 HydrophobicContact CG-CD2 4.16Å
23R79.9Confident89.7Confident233 Ų23374.6 Ų74.688%0.87937%0.372SS*.  trans-10483.9171.9-64.2-176.7-179.31760.7108.9
24L82.7Confident89.4Confident36 Ų3669.9 Ų69.919%0.18836%0.356CS..  trans-132154.2-172-69.4175.1000111.6M22 L26 F126M22-L24 HydrophobicContact CB-CD1 3.8Å; M22-L24 HydrophobicContact CB-CG 4.09Å; M22-L24 HydrophobicContact CG-CD1 4.07Å; L24-L26 HydrophobicContact CD2-CB 4.29Å; L24-L26 HydrophobicContact CD2-CD1 4.26Å; L24-L26 HydrophobicContact CD2-CD2 3.74Å; L24-L26 HydrophobicContact CD2-CG 3.4Å; L24-F126 HydrophobicContact CB-CB 4.26Å; L24-F126 HydrophobicContact CB-CD1 3.56Å; L24-F126 HydrophobicContact CB-CD2 4.08Å; L24-F126 HydrophobicContact CB-CE1 3.79Å; L24-F126 HydrophobicContact CB-CE2 4.26Å; L24-F126 HydrophobicContact CB-CG 3.71Å; L24-F126 HydrophobicContact CB-CZ 4.13Å; L24-F126 HydrophobicContact CD1-CB 3.17Å; L24-F126 HydrophobicContact CD1-CD1 4.12Å; L24-F126 HydrophobicContact CD1-CD2 3.57Å; L24-F126 HydrophobicContact CD1-CE2 4.42Å; L24-F126 HydrophobicContact CD1-CG 3.36Å; L24-F126 HydrophobicContact CG-CB 4.27Å; L24-F126 HydrophobicContact CG-CD1 4.44Å; L24-F126 HydrophobicContact CG-CD2 4.32Å; L24-F126 HydrophobicContact CG-CG 4.1Å
25P86.3Confident88.8Confident77 Ų7777.1 Ų77.150%0.538%0.383SS..SBendcis-79.5143.64.931.6-33.6000113.6Q27 N123P25-Q27 PolarHBondContact O-N 2.86Å; P25-Q27 PolarHBondContact O-NE2 3.2Å; P25-N123 WeakPolarHBondContact CA-OD1 3.06Å
26L89Confident88.3Confident20 Ų2078 Ų7811%0.10539%0.388CS..PPolyproline II helixtrans-63128170.1-61.9177.9000109.6L24 D30 V32 R119 F122 N123L24-L26 HydrophobicContact CD2-CB 4.29Å; L24-L26 HydrophobicContact CD2-CD1 4.26Å; L24-L26 HydrophobicContact CD2-CD2 3.74Å; L24-L26 HydrophobicContact CD2-CG 3.4Å; L26-D30 HydrophobicContact CB-CB 4.36Å; L26-D30 HydrophobicContact CD2-CB 4.23Å; L26-V32 HydrophobicContact CD1-CG1 4.3Å; L26-R119 HydrophobicContact CB-CG 3.63Å; L26-R119 HydrophobicContact CD1-CG 4.08Å; L26-R119 HydrophobicContact CG-CG 4.48Å; L26-F122 HydrophobicContact CD1-CB 4.14Å; L26-F122 HydrophobicContact CD1-CD2 4.4Å; L26-N123 PolarHBondContact N-OD1 3.33Å; L26-N123 PolarHBondContact O-ND2 3.18Å; L26-N123 VanDerWaalsContact O-ND2 3.1Å
27Q90.3Very high87.7Confident115 Ų11578.4 Ų78.454%0.53739%0.392SS..PPolyproline II helixtrans-87.8168173.5-57.4-55.7-52.800111.6P25 G29 D30 R119P25-Q27 PolarHBondContact O-N 2.86Å; P25-Q27 PolarHBondContact O-NE2 3.2Å; Q27-G29 PolarHBondContact O-N 3.03Å; Q27-D30 PolarHBondContact N-OD2 3.17Å; Q27-D30 WeakPolarHBondContact O-CB 3.43Å; Q27-D30 PolarHBondContact O-N 3.04Å; Q27-D30 VanDerWaalsContact O-N 3.13Å; Q27-R119 WeakPolarHBondContact O-CD 3.29Å; Q27-R119 PolarHBondContact O-NE 2.98Å
28E84.3Confident87.2Confident172 Ų17277.7 Ų77.780%0.80439%0.39SS*.THydrogen-bonded Turntrans-60.7127.3170.7-169.1169.7-16100110.1
29G82.4Confident86.8Confident67 Ų6783.3 Ų83.369%0.69142%0.42SS*.THydrogen-bonded Turntrans92.8-17.2-174.800000115.1Q27Q27-G29 PolarHBondContact O-N 3.03Å
30D87.8Confident86.7Confident64 Ų6485.3 Ų85.334%0.34243%0.43SS..PPolyproline II helixtrans-65139173.5-72.5-19.8000110.4L26 Q27 V32 R119L26-D30 HydrophobicContact CB-CB 4.36Å; L26-D30 HydrophobicContact CD2-CB 4.23Å; Q27-D30 PolarHBondContact N-OD2 3.17Å; Q27-D30 WeakPolarHBondContact O-CB 3.43Å; Q27-D30 PolarHBondContact O-N 3.04Å; Q27-D30 VanDerWaalsContact O-N 3.13Å; D30-V32 PolarHBondContact O-N 3.37Å; D30-R119 PolarHBondContact O-NH2 3.23Å
31P89Confident86.6Confident115 Ų11577.1 Ų77.175%0.74740%0.4SS*.PPolyproline II helixtrans-64.4131.8174.227.4-33.2000109.8
32V90.8Very high86.7Confident21 Ų2172.6 Ų72.613%0.12738%0.379CS..PPolyproline II helixtrans-74.5142.5174.6-70.30000110.3L26 D30 M34 R35 V115 A118 R119 F122L26-V32 HydrophobicContact CD1-CG1 4.3Å; D30-V32 PolarHBondContact O-N 3.37Å; V32-M34 VanDerWaalsContact CG2-O 3.23Å; V32-M34 WeakPolarHBondContact CG2-O 3.5Å; V32-M34 PolarHBondContact O-N 2.94Å; V32-M34 VanDerWaalsContact O-N 3.11Å; V32-R35 HydrophobicContact CG2-CB 4.45Å; V32-V115 HydrophobicContact CG1-CG1 4.24Å; V32-V115 HydrophobicContact CG2-CG1 4.33Å; V32-A118 HydrophobicContact CG1-CB 4.37Å; V32-R119 HydrophobicContact CG1-CB 3.96Å; V32-F122 HydrophobicContact CB-CD2 4.47Å; V32-F122 HydrophobicContact CB-CE2 4.33Å
33P87.6Confident86.8Confident51 Ų5177.6 Ų77.633%0.33140%0.402SS..SBendtrans-50.6-35.1178.6-30.632000114.8F122P33-F122 HydrophobicContact CB-CD2 4.42Å; P33-F122 HydrophobicContact CB-CE1 4.35Å; P33-F122 HydrophobicContact CB-CE2 4.11Å; P33-F122 HydrophobicContact CB-CZ 4.09Å; P33-F122 VanDerWaalsContact CD-CD2 3.49Å; P33-F122 HydrophobicContact CG-CD1 4.25Å; P33-F122 HydrophobicContact CG-CD2 3.86Å; P33-F122 HydrophobicContact CG-CE1 4.46Å; P33-F122 HydrophobicContact CG-CE2 4.06Å; P33-F122 HydrophobicContact CG-CG 3.97Å; P33-F122 HydrophobicContact CG-CZ 4.36Å
34M86.8Confident87.4Confident26 Ų2670.8 Ų70.813%0.12838%0.383CS..SBendtrans-138129.1173.9-62.8-179.8-57.600107.9V32 L53 Q56 H57 F122V32-M34 VanDerWaalsContact CG2-O 3.23Å; V32-M34 WeakPolarHBondContact CG2-O 3.5Å; V32-M34 PolarHBondContact O-N 2.94Å; V32-M34 VanDerWaalsContact O-N 3.11Å; M34-L53 HydrophobicContact CB-CD2 4.37Å; M34-L53 HydrophobicContact CE-CD2 4.18Å; M34-L53 WeakPolarHBondContact CE-O 3.48Å; M34-Q56 HydrophobicContact CE-CB 3.64Å; M34-Q56 HydrophobicContact SD-CB 3.65Å; M34-H57 HydrophobicContact CE-CB 3.73Å; M34-F122 HydrophobicContact CB-CZ 4.25Å; M34-F122 HydrophobicContact CE-CE1 4.01Å; M34-F122 HydrophobicContact CE-CZ 3.7Å
35R83.6Confident87.9Confident172 Ų17269.1 Ų69.165%0.64938%0.375SS*.  trans-88.8122.1179.3-172.5176.8179.3174.7-0.8108.7V32V32-R35 HydrophobicContact CG2-CB 4.45Å
36P85.8Confident88.3Confident19 Ų1965.7 Ų65.712%0.12335%0.352CS..  trans-59.7148171.6-23.835.6000111.1A118P36-A118 HydrophobicContact CG-CB 3.77Å
37L80.6Confident88.7Confident88 Ų8865.6 Ų65.646%0.46135%0.351SS..SBendtrans-77.5-37.9-179.6-70.7169000112.6I198 A452L37-I198 HydrophobicContact CD1-CD1 3.1Å; L37-A452 HydrophobicContact CD1-CB 4.46Å; L37-A452 HydrophobicContact CD2-CB 4.34Å
38S85.3Confident89Confident18 Ų1860.1 Ų60.113%0.12633%0.326CS..SBendtrans-84144.2176.1-172.30000110.4L40 S114 K236 E240S38-L40 VanDerWaalsContact C-N 3.34Å; S38-L40 PolarHBondContact OG-O 2.66Å; S38-L40 VanDerWaalsContact OG-O 3.11Å; S38-S114 WeakPolarHBondContact O-CB 3.35Å; S38-S114 PolarHBondContact O-OG 3.49Å; S38-K236 PolarHBondContact OG-NZ 2.92Å; S38-E240 WeakPolarHBondContact CB-OE2 3.3Å; S38-E240 PolarHBondContact OG-OE1 2.78Å; S38-E240 PolarHBondContact OG-OE2 3.05Å
39D86.9Confident89.6Confident122 Ų12253.6 Ų53.665%0.65230%0.295SS*.SBendtrans-75-26.8177.7-71.9-35.9000112.7E113 S114D39-E113 WeakPolarHBondContact O-CA 3.47Å; D39-S114 PolarHBondContact O-N 3.48Å; D39-S114 PolarHBondContact O-OG 2.92Å
40L91Very high90.2Very high65 Ų6550.4 Ų50.434%0.3426%0.262SS..EExtended strand (participates in β ladder)trans-128.7143.3-174.9-62.1175.4000111.6S38 L89 K111 M112 S114S38-L40 VanDerWaalsContact C-N 3.34Å; S38-L40 PolarHBondContact OG-O 2.66Å; S38-L40 VanDerWaalsContact OG-O 3.11Å; L40-L89 HydrophobicContact CD2-CD1 3.63Å; L40-K111 HydrophobicContact CD1-CD 4.35Å; L40-M112 WeakPolarHBondContact CA-O 3.41Å; L40-S114 WeakPolarHBondContact CA-OG 3.49Å; L40-S114 PolarHBondContact N-OG 2.91Å; L40-S114 VanDerWaalsContact N-OG 3.17Å
41V91.6Very high90.7Very high5 Ų547.3 Ų47.33%0.0325%0.246CC..EExtended strand (participates in β ladder)trans-121.5138.2172.168.90000109.2E45 V46 E49 K111 M112 M117V41-E45 HydrophobicContact CG2-CB 3.55Å; V41-V46 HydrophobicContact CG2-CG2 4.48Å; V41-E49 HydrophobicContact CG2-CB 4.44Å; V41-E49 HydrophobicContact CG2-CG 3.78Å; V41-K111 WeakPolarHBondContact O-CA 3.42Å; V41-M112 HydrophobicContact CG1-CB 3.95Å; V41-M112 HydrophobicContact CG1-CE 4.01Å; V41-M112 HydrophobicContact CG1-CG 4.43Å; V41-M112 PolarHBondContact N-O 2.9Å; V41-M112 PolarHBondContact O-N 3.29Å; V41-M117 HydrophobicContact CG1-CB 3.98Å; V41-M117 HydrophobicContact CG1-CG 4.05Å
42T91.9Very high91.1Very high12 Ų1243.5 Ų43.57%0.07422%0.219CC..EExtended strand (participates in β ladder)trans-96.3161.717250.70000111.9D44 E45 V46 D109 L110 K111T42-D44 VanDerWaalsContact C-N 3.28Å; T42-D44 PolarHBondContact O-N 2.99Å; T42-E45 WeakPolarHBondContact CB-OE2 3.3Å; T42-E45 PolarHBondContact N-OE2 3.31Å; T42-E45 WeakPolarHBondContact O-CA 3.11Å; T42-E45 WeakPolarHBondContact O-CB 3.47Å; T42-E45 PolarHBondContact O-N 3.28Å; T42-E45 WeakPolarHBondContact OG1-CG 3.42Å; T42-E45 PolarHBondContact OG1-OE2 3.35Å; T42-V46 WeakPolarHBondContact O-CG2 3.4Å; T42-V46 PolarHBondContact O-N 2.91Å; T42-D109 HydrophobicContact CG2-CB 4.12Å; T42-L110 WeakPolarHBondContact CA-O 3.41Å; T42-K111 HydrophobicContact CG2-CG 3.9Å
43E89.7Confident91.3Very high131 Ų13142.9 Ų42.961%0.61222%0.215SC*.Hα-helixtrans-51.6-45.7-179.7-172.3172.1-17100112.8E45 V46E43-E45 PolarHBondContact O-N 3.48Å; E43-E45 VanDerWaalsContact O-N 3.16Å; E43-V46 WeakPolarHBondContact O-CB 3.21Å; E43-V46 PolarHBondContact O-N 3.02Å; E43-V46 VanDerWaalsContact O-N 3.1Å
44D91.7Very high91.8Very high90 Ų9040.4 Ų40.448%0.48120%0.199SC..Hα-helixtrans-61.7-20.5176.3-82.3-11.8000114.3T42 R232T42-D44 VanDerWaalsContact C-N 3.28Å; T42-D44 PolarHBondContact O-N 2.99Å; D44-R232 IonicContact OD1-CZ 3.48Å; D44-R232 IonicContact OD1-NH2 3.19Å; D44-R232 PolarHBondContact OD1-NH2 3.27Å; D44-R232 IonicContact OD2-CZ 2.86Å; D44-R232 IonicContact OD2-NE 3.55Å; D44-R232 PolarHBondContact OD2-NE 2.91Å; D44-R232 IonicContact OD2-NH2 3.44Å; D44-R232 PolarHBondContact OD2-NH2 3.29Å
45E94.8Very high92.2Very high1 Ų140.2 Ų40.21%0.00520%0.199CC..Hα-helixtrans-95-15.9179-65.7166.4137.600111.9V41 T42 E43 E47 G48 E49 Y199 H203 K236 R239V41-E45 HydrophobicContact CG2-CB 3.55Å; T42-E45 WeakPolarHBondContact CB-OE2 3.3Å; T42-E45 PolarHBondContact N-OE2 3.31Å; T42-E45 WeakPolarHBondContact O-CA 3.11Å; T42-E45 WeakPolarHBondContact O-CB 3.47Å; T42-E45 PolarHBondContact O-N 3.28Å; T42-E45 WeakPolarHBondContact OG1-CG 3.42Å; T42-E45 PolarHBondContact OG1-OE2 3.35Å; E43-E45 PolarHBondContact O-N 3.48Å; E43-E45 VanDerWaalsContact O-N 3.16Å; E45-E47 VanDerWaalsContact C-N 3.35Å; E45-E47 PolarHBondContact O-N 3.49Å; E45-G48 PolarHBondContact O-N 3.03Å; E45-E49 HydrophobicContact CB-CG 4.35Å; E45-E49 WeakPolarHBondContact O-CB 3.35Å; E45-E49 VanDerWaalsContact O-CG 3.3Å; E45-E49 WeakPolarHBondContact O-CG 3.44Å; E45-E49 PolarHBondContact O-N 3.41Å; E45-Y199 HydrophobicContact CG-CE2 3.93Å; E45-Y199 WeakPolarHBondContact OE1-CE2 3.25Å; E45-H203 PolarHBondContact O-CE1 3.36Å; E45-H203 VanDerWaalsContact O-CE1 3.31Å; E45-K236 WeakPolarHBondContact OE1-CD 3.33Å; E45-K236 IonicContact OE1-NZ 3Å; E45-K236 PolarHBondContact OE1-NZ 2.91Å; E45-R239 IonicContact OE1-NH2 2.75Å; E45-R239 IonicContact OE2-NH2 2.66Å
46V94.2Very high92.7Very high5 Ų533.9 Ų33.93%0.0318%0.176CC..Hα-helixtrans-58.5-43.8-170.7170.30000112.6V41 T42 E43 C50 L80 L84 M112 M117V41-V46 HydrophobicContact CG2-CG2 4.48Å; T42-V46 WeakPolarHBondContact O-CG2 3.4Å; T42-V46 PolarHBondContact O-N 2.91Å; E43-V46 WeakPolarHBondContact O-CB 3.21Å; E43-V46 PolarHBondContact O-N 3.02Å; E43-V46 VanDerWaalsContact O-N 3.1Å; V46-C50 WeakPolarHBondContact O-CB 3.38Å; V46-C50 PolarHBondContact O-N 2.95Å; V46-L80 HydrophobicContact CG1-CD2 4.3Å; V46-L84 HydrophobicContact CG1-CD1 4.04Å; V46-L84 HydrophobicContact CG2-CD1 4.29Å; V46-M112 HydrophobicContact CG2-CE 4.43Å; V46-M117 HydrophobicContact CG1-CE 4.12Å; V46-M117 WeakPolarHBondContact O-CE 3.37Å
47E96.6Very high93.1Very high19 Ų1933.3 Ų33.39%0.08917%0.172CC..Hα-helixtrans-66.2-49.5-177.5-176.6166.6-146.600111.7E45 C50 L51 R73 L80 V206 H210E45-E47 VanDerWaalsContact C-N 3.35Å; E45-E47 PolarHBondContact O-N 3.49Å; E47-C50 WeakPolarHBondContact O-CB 3.29Å; E47-C50 PolarHBondContact O-N 2.76Å; E47-L51 HydrophobicContact CG-CD1 4.24Å; E47-L51 WeakPolarHBondContact O-CG 3.37Å; E47-L51 PolarHBondContact O-N 2.87Å; E47-R73 IonicContact OE1-CZ 3.22Å; E47-R73 IonicContact OE1-NH1 3.04Å; E47-R73 PolarHBondContact OE1-NH1 3.48Å; E47-R73 IonicContact OE1-NH2 2.67Å; E47-R73 PolarHBondContact OE1-NH2 3.36Å; E47-R73 VanDerWaalsContact OE1-NH2 3.08Å; E47-L80 HydrophobicContact CB-CD1 4.21Å; E47-L80 HydrophobicContact CB-CD2 4.41Å; E47-L80 HydrophobicContact CG-CD1 4.1Å; E47-V206 HydrophobicContact CB-CG1 4.27Å; E47-V206 HydrophobicContact CG-CG1 4.05Å; E47-V206 WeakPolarHBondContact OE2-CG1 3.37Å; E47-H210 IonicContact OE2-CD2 3.56Å; E47-H210 IonicContact OE2-CE1 2.85Å; E47-H210 IonicContact OE2-NE2 2.72Å; E47-H210 PolarHBondContact OE2-NE2 3.42Å
48G96.8Very high93.9Very high0 Ų029.1 Ų29.10%015%0.15CC..Hα-helixtrans-61.8-45.1178.400000112.6E45 C50 L51 D52 N202E45-G48 PolarHBondContact O-N 3.03Å; G48-C50 VanDerWaalsContact C-N 3.33Å; G48-C50 PolarHBondContact O-N 2.99Å; G48-L51 PolarHBondContact O-N 3.07Å; G48-D52 WeakPolarHBondContact O-CB 3.12Å; G48-D52 PolarHBondContact O-N 2.65Å; G48-N202 VanDerWaalsContact CA-O 3.27Å; G48-N202 WeakPolarHBondContact CA-O 3.04Å
49E96Very high94.2Very high34 Ų3429.5 Ų29.516%0.15915%0.149CC..Hα-helixtrans-63.2-38.2175.8-65.8-56.3138.400111.8V41 E45 L53 M117 N202 H203V41-E49 HydrophobicContact CG2-CB 4.44Å; V41-E49 HydrophobicContact CG2-CG 3.78Å; E45-E49 HydrophobicContact CB-CG 4.35Å; E45-E49 WeakPolarHBondContact O-CB 3.35Å; E45-E49 VanDerWaalsContact O-CG 3.3Å; E45-E49 WeakPolarHBondContact O-CG 3.44Å; E45-E49 PolarHBondContact O-N 3.41Å; E49-L53 VanDerWaalsContact O-CB 3.29Å; E49-L53 WeakPolarHBondContact O-CB 3.04Å; E49-L53 WeakPolarHBondContact O-CD1 3.35Å; E49-L53 WeakPolarHBondContact O-CG 3.39Å; E49-L53 PolarHBondContact O-N 2.99Å; E49-M117 HydrophobicContact CB-CE 4.19Å; E49-N202 PolarHBondContact OE1-ND2 3.31Å; E49-N202 PolarHBondContact OE2-ND2 3.14Å; E49-H203 IonicContact OE1-CE1 2.72Å; E49-H203 PolarHBondContact OE1-CE1 3.24Å; E49-H203 IonicContact OE1-NE2 2.72Å; E49-H203 PolarHBondContact OE1-NE2 3.28Å
50C97Very high94.5Very high0 Ų030.3 Ų30.30%015%0.146CC..Hα-helixtrans-64.1-49.2177176.70000111.8V46 E47 G48 D52 C54 A76 L79 M117 V121V46-C50 WeakPolarHBondContact O-CB 3.38Å; V46-C50 PolarHBondContact O-N 2.95Å; E47-C50 WeakPolarHBondContact O-CB 3.29Å; E47-C50 PolarHBondContact O-N 2.76Å; G48-C50 VanDerWaalsContact C-N 3.33Å; G48-C50 PolarHBondContact O-N 2.99Å; C50-D52 VanDerWaalsContact C-N 3.35Å; C50-C54 WeakPolarHBondContact O-CB 3.46Å; C50-C54 PolarHBondContact O-N 2.91Å; C50-C54 PolarHBondContact O-SG 2.84Å; C50-A76 HydrophobicContact CB-CB 4.4Å; C50-A76 VanDerWaalsContact SG-CA 3.59Å; C50-L79 HydrophobicContact CB-CD1 4.15Å; C50-L79 VanDerWaalsContact SG-CD1 3.51Å; C50-M117 HydrophobicContact CB-CE 3.71Å; C50-V121 HydrophobicContact CB-CG2 4.13Å
51L97.8Very high94.6Very high0 Ų030.3 Ų30.30%014%0.142CC..Hα-helixtrans-61.3-46.7-179.2-67.7178.6000110.3E47 G48 C54 L55 A72 A76 L173 F174 V206E47-L51 HydrophobicContact CG-CD1 4.24Å; E47-L51 WeakPolarHBondContact O-CG 3.37Å; E47-L51 PolarHBondContact O-N 2.87Å; G48-L51 PolarHBondContact O-N 3.07Å; L51-C54 PolarHBondContact O-N 2.81Å; L51-L55 WeakPolarHBondContact O-CB 3.4Å; L51-L55 WeakPolarHBondContact O-CG 3.34Å; L51-L55 PolarHBondContact O-N 3.41Å; L51-A72 HydrophobicContact CD2-CB 4.03Å; L51-A76 HydrophobicContact CD2-CB 3.83Å; L51-A76 HydrophobicContact CG-CB 4.36Å; L51-L173 HydrophobicContact CD1-CG 4.49Å; L51-L173 HydrophobicContact CD2-CD1 3.98Å; L51-F174 HydrophobicContact CD1-CE1 4.17Å; L51-F174 HydrophobicContact CD1-CZ 4.29Å; L51-V206 HydrophobicContact CD1-CG2 3.94Å
52D96.3Very high94.6Very high34 Ų3434.7 Ų34.718%0.18217%0.166CC..Hα-helixtrans-60.4-51.3178.5-179.452.7000112.2G48 C50 C54 L55 Q56 N202G48-D52 WeakPolarHBondContact O-CB 3.12Å; G48-D52 PolarHBondContact O-N 2.65Å; C50-D52 VanDerWaalsContact C-N 3.35Å; D52-C54 VanDerWaalsContact C-N 3.3Å; D52-C54 PolarHBondContact O-N 2.9Å; D52-L55 PolarHBondContact O-N 2.84Å; D52-Q56 WeakPolarHBondContact O-CB 3.21Å; D52-Q56 WeakPolarHBondContact O-CG 3.5Å; D52-Q56 PolarHBondContact O-N 3.29Å; D52-Q56 PolarHBondContact OD1-NE2 3.15Å; D52-Q56 PolarHBondContact OD2-NE2 3.48Å; D52-N202 PolarHBondContact OD2-ND2 3.48Å; D52-N202 PolarHBondContact OD2-OD1 2.84Å
53L96.3Very high94.7Very high8 Ų834.4 Ų34.44%0.04216%0.164CC..Hα-helixtrans-59.2-39.4177.8-73.3171.3000112.4M34 E49 H57 M117 A118 V121 F122M34-L53 HydrophobicContact CB-CD2 4.37Å; M34-L53 HydrophobicContact CE-CD2 4.18Å; M34-L53 WeakPolarHBondContact CE-O 3.48Å; E49-L53 VanDerWaalsContact O-CB 3.29Å; E49-L53 WeakPolarHBondContact O-CB 3.04Å; E49-L53 WeakPolarHBondContact O-CD1 3.35Å; E49-L53 WeakPolarHBondContact O-CG 3.39Å; E49-L53 PolarHBondContact O-N 2.99Å; L53-H57 VanDerWaalsContact O-CB 3.23Å; L53-H57 WeakPolarHBondContact O-CB 3.48Å; L53-H57 PolarHBondContact O-N 3.3Å; L53-M117 HydrophobicContact CD1-SD 3.91Å; L53-A118 HydrophobicContact CD1-CB 3.76Å; L53-V121 HydrophobicContact CB-CG1 4.07Å; L53-V121 HydrophobicContact CD1-CB 4.48Å; L53-V121 HydrophobicContact CD1-CG2 4.29Å; L53-F122 HydrophobicContact CB-CZ 4.3Å; L53-F122 HydrophobicContact CD2-CZ 4.1Å
54C97.2Very high94.7Very high0 Ų029.3 Ų29.30%014%0.142CC..Hα-helixtrans-66.3-52176.2-71.60000111.4C50 L51 D52 H57 L58 A72 V121 L125C50-C54 WeakPolarHBondContact O-CB 3.46Å; C50-C54 PolarHBondContact O-N 2.91Å; C50-C54 PolarHBondContact O-SG 2.84Å; L51-C54 PolarHBondContact O-N 2.81Å; D52-C54 VanDerWaalsContact C-N 3.3Å; D52-C54 PolarHBondContact O-N 2.9Å; C54-H57 PolarHBondContact O-N 3.06Å; C54-L58 HydrophobicContact CB-CD1 4.46Å; C54-L58 WeakPolarHBondContact O-CB 3.47Å; C54-L58 WeakPolarHBondContact O-CD1 3.44Å; C54-L58 WeakPolarHBondContact O-CG 3.21Å; C54-L58 PolarHBondContact O-N 3.49Å; C54-A72 HydrophobicContact CB-CB 3.62Å; C54-V121 WeakPolarHBondContact SG-CG1 3.22Å; C54-L125 HydrophobicContact CB-CD2 4.45Å
55L96.2Very high94.6Very high22 Ų2226 Ų2612%0.11513%0.126CC..Hα-helixtrans-63-49.9-175-71.3173.4000111.2L51 D52 H57 L58 Y59 A68 A72 L173L51-L55 WeakPolarHBondContact O-CB 3.4Å; L51-L55 WeakPolarHBondContact O-CG 3.34Å; L51-L55 PolarHBondContact O-N 3.41Å; D52-L55 PolarHBondContact O-N 2.84Å; L55-H57 PolarHBondContact O-N 3.06Å; L55-L58 PolarHBondContact O-N 3.37Å; L55-Y59 HydrophobicContact CB-CD2 4.16Å; L55-Y59 HydrophobicContact CB-CE2 3.94Å; L55-Y59 HydrophobicContact CD2-CE2 3.99Å; L55-Y59 HydrophobicContact CG-CE2 4.48Å; L55-Y59 WeakPolarHBondContact O-CB 3.47Å; L55-Y59 WeakPolarHBondContact O-CD2 3.38Å; L55-Y59 PolarHBondContact O-N 2.9Å; L55-A68 HydrophobicContact CD2-CB 4.06Å; L55-A72 HydrophobicContact CD2-CB 3.96Å; L55-A72 HydrophobicContact CG-CB 4.01Å; L55-L173 HydrophobicContact CD1-CD1 4.16Å; L55-L173 HydrophobicContact CD1-CD2 4.49Å
56Q93.8Very high94.3Very high39 Ų3926 Ų2618%0.18213%0.127CC..Hα-helixtrans-56.8-41.4177.3-72.5-172.23500111.9M34 D52 K60 C448M34-Q56 HydrophobicContact CE-CB 3.64Å; M34-Q56 HydrophobicContact SD-CB 3.65Å; D52-Q56 WeakPolarHBondContact O-CB 3.21Å; D52-Q56 WeakPolarHBondContact O-CG 3.5Å; D52-Q56 PolarHBondContact O-N 3.29Å; D52-Q56 PolarHBondContact OD1-NE2 3.15Å; D52-Q56 PolarHBondContact OD2-NE2 3.48Å; Q56-K60 PolarHBondContact O-N 3.42Å; Q56-K60 VanDerWaalsContact O-N 3.15Å; Q56-C448 HydrophobicContact CG-CB 4.31Å
57H94.4Very high94.2Very high6 Ų625.8 Ų25.83%0.02813%0.125CC..Hα-helixtrans-68.8-45.4-179.8-167.356.7000111.9F18 M22 M34 L53 C54 L55 K60 Y61 F122F18-H57 AromaticContact CZ-CD2 3.85Å; M22-H57 WeakPolarHBondContact CE-NE2 3.36Å; M34-H57 HydrophobicContact CE-CB 3.73Å; L53-H57 VanDerWaalsContact O-CB 3.23Å; L53-H57 WeakPolarHBondContact O-CB 3.48Å; L53-H57 PolarHBondContact O-N 3.3Å; C54-H57 PolarHBondContact O-N 3.06Å; L55-H57 PolarHBondContact O-N 3.06Å; H57-K60 WeakPolarHBondContact O-CB 3.42Å; H57-K60 PolarHBondContact O-N 2.85Å; H57-Y61 AromaticContact CE1-CE2 3.78Å; H57-Y61 VanDerWaalsContact O-CD2 3.24Å; H57-Y61 WeakPolarHBondContact O-CD2 3.47Å; H57-F122 HydrophobicContact CB-CD1 4.46Å; H57-F122 HydrophobicContact CB-CE1 3.73Å; H57-F122 AromaticContact CD2-CD1 3.87Å; H57-F122 AromaticContact CD2-CE1 3.95Å; H57-F122 AromaticContact CG-CE1 3.72Å
58L95.6Very high94.1Very high0 Ų024.9 Ų24.90%012%0.121CC..Hα-helixtrans-65-42.3-179.7-71.4164.9000111.6F14 F18 C54 L55 K60 Y61 N62 C63 A68 L71 L125F14-L58 HydrophobicContact CE1-CD2 4.1Å; F14-L58 HydrophobicContact CZ-CD2 4.07Å; F18-L58 HydrophobicContact CE1-CD2 4.34Å; F18-L58 HydrophobicContact CE2-CD2 3.89Å; F18-L58 HydrophobicContact CZ-CD2 3.73Å; C54-L58 HydrophobicContact CB-CD1 4.46Å; C54-L58 WeakPolarHBondContact O-CB 3.47Å; C54-L58 WeakPolarHBondContact O-CD1 3.44Å; C54-L58 WeakPolarHBondContact O-CG 3.21Å; C54-L58 PolarHBondContact O-N 3.49Å; L55-L58 PolarHBondContact O-N 3.37Å; L58-K60 VanDerWaalsContact C-N 3.34Å; L58-K60 PolarHBondContact O-N 3.27Å; L58-Y61 CarbonylContact O-C 3.5Å; L58-Y61 PolarHBondContact O-N 2.98Å; L58-Y61 VanDerWaalsContact O-N 3.08Å; L58-N62 PolarHBondContact O-N 3.27Å; L58-C63 HydrophobicContact CB-CB 3.69Å; L58-C63 HydrophobicContact CD2-CB 4.4Å; L58-C63 WeakPolarHBondContact O-CB 3.26Å; L58-C63 PolarHBondContact O-N 2.99Å; L58-A68 HydrophobicContact CB-CB 4.14Å; L58-A68 HydrophobicContact CD1-CB 4.21Å; L58-L71 HydrophobicContact CD1-CB 3.92Å; L58-L71 HydrophobicContact CD1-CD1 4.31Å; L58-L71 HydrophobicContact CD2-CD1 3.91Å; L58-L125 HydrophobicContact CD1-CD1 4.07Å; L58-L125 HydrophobicContact CD1-CD2 4.48Å; L58-L125 HydrophobicContact CD2-CD1 4.37Å; L58-L125 HydrophobicContact CD2-CD2 4.38Å; L58-L125 HydrophobicContact CG-CD1 4.48Å; L58-L125 HydrophobicContact CG-CD2 4.21Å
59Y93.3Very high94Very high27 Ų2725.1 Ų25.111%0.10612%0.123CC..Hα-helixtrans-68.7-30.2179-69.9-44.4000113.4L55 Y61 N62 C65 A68 C448L55-Y59 HydrophobicContact CB-CD2 4.16Å; L55-Y59 HydrophobicContact CB-CE2 3.94Å; L55-Y59 HydrophobicContact CD2-CE2 3.99Å; L55-Y59 HydrophobicContact CG-CE2 4.48Å; L55-Y59 WeakPolarHBondContact O-CB 3.47Å; L55-Y59 WeakPolarHBondContact O-CD2 3.38Å; L55-Y59 PolarHBondContact O-N 2.9Å; Y59-Y61 PolarHBondContact O-N 2.89Å; Y59-Y61 VanDerWaalsContact O-N 3.09Å; Y59-N62 PolarHBondContact O-N 2.79Å; Y59-C65 HydrophobicContact CE1-CB 4.34Å; Y59-A68 HydrophobicContact CD1-CB 4.37Å; Y59-A68 HydrophobicContact CE1-CB 3.76Å; Y59-C448 WeakPolarHBondContact CB-SG 3.43Å; Y59-C448 WeakPolarHBondContact CD2-SG 3.47Å
60K92.2Very high94Very high138 Ų13823.9 Ų23.960%0.612%0.118SC*.Hα-helixtrans-55.4-26.8169.3-177.1178.8177179.90112.9Q56 H57 L58Q56-K60 PolarHBondContact O-N 3.42Å; Q56-K60 VanDerWaalsContact O-N 3.15Å; H57-K60 WeakPolarHBondContact O-CB 3.42Å; H57-K60 PolarHBondContact O-N 2.85Å; L58-K60 VanDerWaalsContact C-N 3.34Å; L58-K60 PolarHBondContact O-N 3.27Å
61Y92.9Very high93.9Very high65 Ų6523.9 Ų23.926%0.25512%0.118SC..THydrogen-bonded Turntrans-102.414176.9-66.9-81.3000113.6F14 F18 E21 M22 H57 L58 Y59 C63F14-Y61 WeakPolarHBondContact CE2-O 3.2Å; F18-Y61 HydrophobicContact CD2-CD2 4.07Å; F18-Y61 HydrophobicContact CD2-CG 4.05Å; F18-Y61 AromaticContact CE2-CD2 3.71Å; F18-Y61 HydrophobicContact CE2-CD2 3.71Å; F18-Y61 HydrophobicContact CE2-CE2 4.35Å; F18-Y61 HydrophobicContact CE2-CG 4.15Å; E21-Y61 HydrophobicContact CG-CE1 4.23Å; E21-Y61 WeakPolarHBondContact OE1-CE1 3.33Å; E21-Y61 WeakPolarHBondContact OE2-CE1 3.24Å; M22-Y61 HydrophobicContact CE-CD2 4.05Å; M22-Y61 HydrophobicContact CE-CE2 3.59Å; H57-Y61 AromaticContact CE1-CE2 3.78Å; H57-Y61 VanDerWaalsContact O-CD2 3.24Å; H57-Y61 WeakPolarHBondContact O-CD2 3.47Å; L58-Y61 CarbonylContact O-C 3.5Å; L58-Y61 PolarHBondContact O-N 2.98Å; L58-Y61 VanDerWaalsContact O-N 3.08Å; Y59-Y61 PolarHBondContact O-N 2.89Å; Y59-Y61 VanDerWaalsContact O-N 3.09Å; Y61-C63 VanDerWaalsContact C-N 3.31Å; Y61-C63 PolarHBondContact O-N 3.32Å
62N91.8Very high93.9Very high98 Ų9823.9 Ų23.952%0.52412%0.118SC..THydrogen-bonded Turntrans58.638.6-177.6-54.9-57.6000113.4L58 Y59 L445L58-N62 PolarHBondContact O-N 3.27Å; Y59-N62 PolarHBondContact O-N 2.79Å; N62-L445 WeakPolarHBondContact OD1-CD2 3.44Å
63C93.5Very high94Very high6 Ų622.9 Ų22.94%0.04111%0.112CC..  trans-59.3131.4171-168.80000110.1F14 L58 Y61 C65 A68F14-C63 HydrophobicContact CD2-CB 4.27Å; F14-C63 HydrophobicContact CE1-CB 3.87Å; F14-C63 WeakPolarHBondContact CE1-SG 3.42Å; F14-C63 HydrophobicContact CE2-CB 3.57Å; F14-C63 HydrophobicContact CZ-CB 3.34Å; F14-C63 VanDerWaalsContact CZ-SG 3.59Å; L58-C63 HydrophobicContact CB-CB 3.69Å; L58-C63 HydrophobicContact CD2-CB 4.4Å; L58-C63 WeakPolarHBondContact O-CB 3.26Å; L58-C63 PolarHBondContact O-N 2.99Å; Y61-C63 VanDerWaalsContact C-N 3.31Å; Y61-C63 PolarHBondContact O-N 3.32Å; C63-C65 PolarHBondContact O-N 3.03Å; C63-A68 HydrophobicContact CB-CB 4.11Å
64P90.8Very high94Very high23 Ų2323.5 Ų23.515%0.14912%0.118CC..  trans-56136.4171.1-26.636.7000111.5T10 F11 S66 L67 A68T10-P64 HydrophobicContact CG2-CG 4.1Å; F11-P64 HydrophobicContact CD1-CB 4.11Å; F11-P64 HydrophobicContact CD1-CG 3.94Å; F11-P64 HydrophobicContact CE1-CB 3.57Å; F11-P64 HydrophobicContact CE1-CG 3.88Å; P64-S66 VanDerWaalsContact C-N 3.34Å; P64-S66 PolarHBondContact O-N 2.96Å; P64-L67 HydrophobicContact CB-CB 4.42Å; P64-L67 PolarHBondContact O-N 3.24Å; P64-A68 PolarHBondContact O-N 2.85Å
65C88.9Confident94Very high21 Ų2123.5 Ų23.514%0.14212%0.118CC..Hα-helixtrans-54.2-43-171.258.30000114.4Y59 C63 A68 A69 P168Y59-C65 HydrophobicContact CE1-CB 4.34Å; C63-C65 PolarHBondContact O-N 3.03Å; C65-A68 PolarHBondContact O-N 3.46Å; C65-A69 WeakPolarHBondContact O-CB 3.34Å; C65-A69 PolarHBondContact O-N 3.47Å; C65-P168 HydrophobicContact CB-CG 4.24Å
66S88.5Confident94Very high2 Ų222.5 Ų22.51%0.01411%0.113CC..Hα-helixtrans-65.9-38.5178.352.50000112.6F11 P64 A70F11-S66 VanDerWaalsContact CZ-OG 3.29Å; F11-S66 WeakPolarHBondContact CZ-OG 3.5Å; P64-S66 VanDerWaalsContact C-N 3.34Å; P64-S66 PolarHBondContact O-N 2.96Å; S66-A70 WeakPolarHBondContact O-CB 3.38Å; S66-A70 PolarHBondContact O-N 3.21Å; S66-A70 VanDerWaalsContact O-N 3.15Å
67L92.8Very high94.1Very high0 Ų023.1 Ų23.10%012%0.118CC..Hα-helixtrans-69.9-39.8173.5-17963.1000111.2F11 F14 L15 P64 A70 L71 W132 L136F11-L67 HydrophobicContact CB-CD1 4.45Å; F11-L67 HydrophobicContact CB-CD2 3.87Å; F11-L67 HydrophobicContact CD1-CB 3.9Å; F11-L67 HydrophobicContact CD1-CD2 3.95Å; F11-L67 HydrophobicContact CD1-CG 4.45Å; F11-L67 HydrophobicContact CE1-CB 3.99Å; F11-L67 HydrophobicContact CG-CB 4.21Å; F11-L67 HydrophobicContact CG-CD1 4.39Å; F11-L67 HydrophobicContact CG-CD2 4Å; F11-L67 HydrophobicContact CG-CG 4.44Å; F11-L67 HydrophobicContact CZ-CB 4.35Å; F14-L67 HydrophobicContact CB-CD2 4.33Å; F14-L67 HydrophobicContact CD1-CD2 3.56Å; F14-L67 HydrophobicContact CE1-CD2 4.3Å; F14-L67 HydrophobicContact CG-CD2 4.22Å; L15-L67 HydrophobicContact CG-CD2 4.36Å; P64-L67 HydrophobicContact CB-CB 4.42Å; P64-L67 PolarHBondContact O-N 3.24Å; L67-A70 PolarHBondContact O-N 2.84Å; L67-L71 HydrophobicContact CD1-CD1 4.05Å; L67-L71 HydrophobicContact CD1-CG 4.09Å; L67-L71 HydrophobicContact CD2-CD1 4.44Å; L67-L71 HydrophobicContact CG-CD1 3.83Å; L67-L71 HydrophobicContact CG-CG 4.31Å; L67-L71 WeakPolarHBondContact O-CB 3.36Å; L67-L71 VanDerWaalsContact O-CG 3.31Å; L67-L71 WeakPolarHBondContact O-CG 3.5Å; L67-L71 PolarHBondContact O-N 2.98Å; L67-W132 HydrophobicContact CD1-CE3 4.2Å; L67-W132 HydrophobicContact CD1-CZ3 4.27Å; L67-L136 HydrophobicContact CD1-CD1 4.41Å
68A94.8Very high94.1Very high0 Ų024.6 Ų24.60%013%0.129CC..Hα-helixtrans-61.6-47.3178.100000111.6L55 L58 Y59 C63 P64 C65 A70 L71 A72L55-A68 HydrophobicContact CD2-CB 4.06Å; L58-A68 HydrophobicContact CB-CB 4.14Å; L58-A68 HydrophobicContact CD1-CB 4.21Å; Y59-A68 HydrophobicContact CD1-CB 4.37Å; Y59-A68 HydrophobicContact CE1-CB 3.76Å; C63-A68 HydrophobicContact CB-CB 4.11Å; P64-A68 PolarHBondContact O-N 2.85Å; C65-A68 PolarHBondContact O-N 3.46Å; A68-A70 PolarHBondContact O-N 3.14Å; A68-L71 PolarHBondContact O-N 3.19Å; A68-A72 VanDerWaalsContact O-CB 3.26Å; A68-A72 WeakPolarHBondContact O-CB 3.47Å; A68-A72 PolarHBondContact O-N 2.69Å
69A94.4Very high93.9Very high5 Ų524.7 Ų24.74%0.04113%0.129CC..Hα-helixtrans-59.1-45.8175.500000111.8C65 A72 R73 T172 L173C65-A69 WeakPolarHBondContact O-CB 3.34Å; C65-A69 PolarHBondContact O-N 3.47Å; A69-A72 PolarHBondContact O-N 3.07Å; A69-R73 WeakPolarHBondContact O-CB 3.49Å; A69-R73 PolarHBondContact O-N 3.22Å; A69-T172 HydrophobicContact CB-CG2 3.9Å; A69-L173 HydrophobicContact CB-CB 4.17Å; A69-L173 HydrophobicContact CB-CD1 4.22Å
70A94.8Very high93.7Very high7 Ų727.3 Ų27.36%0.05814%0.144CC..Hα-helixtrans-65-43.7-179.200000112.3S66 L67 A68 A74 W132 F138 T172S66-A70 WeakPolarHBondContact O-CB 3.38Å; S66-A70 PolarHBondContact O-N 3.21Å; S66-A70 VanDerWaalsContact O-N 3.15Å; L67-A70 PolarHBondContact O-N 2.84Å; A68-A70 PolarHBondContact O-N 3.14Å; A70-A74 WeakPolarHBondContact O-CB 3.48Å; A70-A74 PolarHBondContact O-N 3.15Å; A70-W132 HydrophobicContact CB-CH2 3.72Å; A70-W132 HydrophobicContact CB-CZ3 3.67Å; A70-W132 WeakPolarHBondContact O-CH2 3.22Å; A70-F138 HydrophobicContact CB-CD2 3.66Å; A70-F138 HydrophobicContact CB-CE2 3.7Å; A70-T172 HydrophobicContact CB-CG2 3.62Å
71L96.6Very high93.5Very high0 Ų028.5 Ų28.50%015%0.152CC..Hα-helixtrans-66.3-42.7176.7-72.9170.4000111.8L15 L58 L67 A68 A74 T75 L125 I128 W132L15-L71 HydrophobicContact CD2-CD1 4.15Å; L15-L71 HydrophobicContact CD2-CD2 4.42Å; L58-L71 HydrophobicContact CD1-CB 3.92Å; L58-L71 HydrophobicContact CD1-CD1 4.31Å; L58-L71 HydrophobicContact CD2-CD1 3.91Å; L67-L71 HydrophobicContact CD1-CD1 4.05Å; L67-L71 HydrophobicContact CD1-CG 4.09Å; L67-L71 HydrophobicContact CD2-CD1 4.44Å; L67-L71 HydrophobicContact CG-CD1 3.83Å; L67-L71 HydrophobicContact CG-CG 4.31Å; L67-L71 WeakPolarHBondContact O-CB 3.36Å; L67-L71 VanDerWaalsContact O-CG 3.31Å; L67-L71 WeakPolarHBondContact O-CG 3.5Å; L67-L71 PolarHBondContact O-N 2.98Å; A68-L71 PolarHBondContact O-N 3.19Å; L71-A74 PolarHBondContact O-N 2.78Å; L71-T75 WeakPolarHBondContact O-CB 3.35Å; L71-T75 PolarHBondContact O-N 2.6Å; L71-T75 PolarHBondContact O-OG1 3.4Å; L71-L125 HydrophobicContact CB-CD1 4.03Å; L71-I128 HydrophobicContact CD2-CG2 3.72Å; L71-W132 HydrophobicContact CD2-CD2 3.86Å; L71-W132 HydrophobicContact CD2-CE3 3.37Å; L71-W132 HydrophobicContact CD2-CG 4.46Å; L71-W132 HydrophobicContact CD2-CH2 4.45Å; L71-W132 HydrophobicContact CD2-CZ3 3.7Å; L71-W132 HydrophobicContact CG-CE3 4.01Å; L71-W132 HydrophobicContact CG-CZ3 3.93Å
72A97.4Very high93.1Very high0 Ų027.1 Ų27.10%015%0.152CC..Hα-helixtrans-61.1-47.417700000111.1L51 C54 L55 A68 A69 T75 A76 L173L51-A72 HydrophobicContact CD2-CB 4.03Å; C54-A72 HydrophobicContact CB-CB 3.62Å; L55-A72 HydrophobicContact CD2-CB 3.96Å; L55-A72 HydrophobicContact CG-CB 4.01Å; A68-A72 VanDerWaalsContact O-CB 3.26Å; A68-A72 WeakPolarHBondContact O-CB 3.47Å; A68-A72 PolarHBondContact O-N 2.69Å; A69-A72 PolarHBondContact O-N 3.07Å; A72-T75 WeakPolarHBondContact O-CB 3.31Å; A72-T75 PolarHBondContact O-N 2.92Å; A72-A76 PolarHBondContact O-N 3.4Å; A72-L173 HydrophobicContact CB-CD1 4.21Å
73R96.9Very high92.3Very high13 Ų1327.7 Ų27.75%0.04916%0.155CC..Hα-helixtrans-59.5-50.7175.7-178.960.8-97.9159.2-7112.3E47 A69 T75 A76 D77 L173 N175E47-R73 IonicContact OE1-CZ 3.22Å; E47-R73 IonicContact OE1-NH1 3.04Å; E47-R73 PolarHBondContact OE1-NH1 3.48Å; E47-R73 IonicContact OE1-NH2 2.67Å; E47-R73 PolarHBondContact OE1-NH2 3.36Å; E47-R73 VanDerWaalsContact OE1-NH2 3.08Å; A69-R73 WeakPolarHBondContact O-CB 3.49Å; A69-R73 PolarHBondContact O-N 3.22Å; R73-T75 PolarHBondContact O-N 3.29Å; R73-A76 PolarHBondContact O-N 2.95Å; R73-A76 VanDerWaalsContact O-N 3.14Å; R73-D77 IonicContact CZ-OD1 3.75Å; R73-D77 IonicContact NE-OD1 3.87Å; R73-D77 PolarHBondContact NE-OD1 3.08Å; R73-D77 IonicContact NE-OD2 3.55Å; R73-D77 PolarHBondContact NE-OD2 3.31Å; R73-D77 IonicContact NH2-OD1 2.98Å; R73-D77 PolarHBondContact NH2-OD1 3.46Å; R73-D77 PolarHBondContact O-N 3.48Å; R73-L173 WeakPolarHBondContact CB-O 3.26Å; R73-L173 WeakPolarHBondContact CD-O 3.43Å; R73-N175 HydrophobicContact CG-CB 4.21Å
74A96.6Very high91.3Very high22 Ų2228.9 Ų28.918%0.18216%0.161CC..Hα-helixtrans-58.8-35178.900000111.9A70 L71 S78 I128 W132A70-A74 WeakPolarHBondContact O-CB 3.48Å; A70-A74 PolarHBondContact O-N 3.15Å; L71-A74 PolarHBondContact O-N 2.78Å; A74-S78 WeakPolarHBondContact O-CB 3.41Å; A74-S78 PolarHBondContact O-N 2.56Å; A74-S78 VanDerWaalsContact O-N 3.07Å; A74-I128 HydrophobicContact CB-CD1 4.09Å; A74-I128 HydrophobicContact CB-CG2 4.01Å; A74-I128 WeakPolarHBondContact O-CD1 3.42Å; A74-W132 HydrophobicContact CB-CH2 4.05Å; A74-W132 HydrophobicContact CB-CZ2 3.62Å
75T97.1Very high90.1Very high0 Ų030.5 Ų30.50%017%0.173CC..Hα-helixtrans-68.3-48176.3-53.70000111L71 A72 R73 D77 S78 L79 V121 R124 L125 I128L71-T75 WeakPolarHBondContact O-CB 3.35Å; L71-T75 PolarHBondContact O-N 2.6Å; L71-T75 PolarHBondContact O-OG1 3.4Å; A72-T75 WeakPolarHBondContact O-CB 3.31Å; A72-T75 PolarHBondContact O-N 2.92Å; R73-T75 PolarHBondContact O-N 3.29Å; T75-D77 PolarHBondContact O-N 3.33Å; T75-S78 PolarHBondContact O-N 3.1Å; T75-L79 HydrophobicContact CG2-CD1 4.36Å; T75-L79 WeakPolarHBondContact O-CG 3.3Å; T75-L79 PolarHBondContact O-N 3.08Å; T75-V121 HydrophobicContact CG2-CG1 4.33Å; T75-R124 HydrophobicContact CG2-CB 3.82Å; T75-L125 HydrophobicContact CG2-CB 4.12Å; T75-L125 WeakPolarHBondContact OG1-CA 3.45Å; T75-I128 HydrophobicContact CG2-CD1 4.46Å; T75-I128 VanDerWaalsContact N-CD1 3.32Å; T75-I128 WeakPolarHBondContact OG1-CD1 3.29Å
76A96.8Very high88.7Confident1 Ų136.5 Ų36.51%0.00820%0.202CC..Hα-helixtrans-60.3-45.4176.200000111.8C50 L51 A72 R73 S78 L79 L80C50-A76 HydrophobicContact CB-CB 4.4Å; C50-A76 VanDerWaalsContact SG-CA 3.59Å; L51-A76 HydrophobicContact CD2-CB 3.83Å; L51-A76 HydrophobicContact CG-CB 4.36Å; A72-A76 PolarHBondContact O-N 3.4Å; R73-A76 PolarHBondContact O-N 2.95Å; R73-A76 VanDerWaalsContact O-N 3.14Å; A76-S78 VanDerWaalsContact C-N 3.34Å; A76-S78 PolarHBondContact O-N 3.29Å; A76-L79 PolarHBondContact O-N 2.82Å; A76-L79 VanDerWaalsContact O-N 3.12Å; A76-L80 WeakPolarHBondContact O-CB 3.28Å; A76-L80 VanDerWaalsContact O-CG 3.28Å; A76-L80 WeakPolarHBondContact O-CG 3.3Å; A76-L80 PolarHBondContact O-N 2.84Å
77D95.1Very high87.4Confident51 Ų5139.6 Ų39.627%0.27322%0.216SC..Hα-helixtrans-58.2-45.5175.9-73.8-24.9000112R73 T75 L79 L80 Q81R73-D77 IonicContact CZ-OD1 3.75Å; R73-D77 IonicContact NE-OD1 3.87Å; R73-D77 PolarHBondContact NE-OD1 3.08Å; R73-D77 IonicContact NE-OD2 3.55Å; R73-D77 PolarHBondContact NE-OD2 3.31Å; R73-D77 IonicContact NH2-OD1 2.98Å; R73-D77 PolarHBondContact NH2-OD1 3.46Å; R73-D77 PolarHBondContact O-N 3.48Å; T75-D77 PolarHBondContact O-N 3.33Å; D77-L79 VanDerWaalsContact C-N 3.26Å; D77-L79 PolarHBondContact O-N 3.31Å; D77-L80 PolarHBondContact O-N 3.39Å; D77-Q81 WeakPolarHBondContact O-CB 3.43Å; D77-Q81 VanDerWaalsContact O-CG 3.22Å; D77-Q81 WeakPolarHBondContact O-CG 3.08Å; D77-Q81 PolarHBondContact O-N 2.72Å; D77-Q81 VanDerWaalsContact O-N 3.08Å
78S94.6Very high86Confident37 Ų3741.2 Ų41.226%0.25923%0.225SC..Hα-helixtrans-63-33.8178-178.30000112.5A74 T75 A76 S82A74-S78 WeakPolarHBondContact O-CB 3.41Å; A74-S78 PolarHBondContact O-N 2.56Å; A74-S78 VanDerWaalsContact O-N 3.07Å; T75-S78 PolarHBondContact O-N 3.1Å; A76-S78 VanDerWaalsContact C-N 3.34Å; A76-S78 PolarHBondContact O-N 3.29Å; S78-S82 PolarHBondContact O-N 3.47Å; S78-S82 PolarHBondContact O-OG 2.85Å
79L91.9Very high84.3Confident3 Ų344.9 Ų44.92%0.01624%0.244CC..Hα-helixtrans-76.7-45.7178.4-72.1175.7000112.2C50 T75 A76 D77 Q81 S82 L120 V121 R124C50-L79 HydrophobicContact CB-CD1 4.15Å; C50-L79 VanDerWaalsContact SG-CD1 3.51Å; T75-L79 HydrophobicContact CG2-CD1 4.36Å; T75-L79 WeakPolarHBondContact O-CG 3.3Å; T75-L79 PolarHBondContact O-N 3.08Å; A76-L79 PolarHBondContact O-N 2.82Å; A76-L79 VanDerWaalsContact O-N 3.12Å; D77-L79 VanDerWaalsContact C-N 3.26Å; D77-L79 PolarHBondContact O-N 3.31Å; L79-Q81 PolarHBondContact O-N 2.85Å; L79-S82 VanDerWaalsContact O-CB 3.31Å; L79-S82 WeakPolarHBondContact O-CB 3.25Å; L79-S82 PolarHBondContact O-N 2.67Å; L79-L120 HydrophobicContact CD2-CD1 4.41Å; L79-L120 HydrophobicContact CD2-CD2 3.51Å; L79-L120 HydrophobicContact CD2-CG 3.52Å; L79-V121 HydrophobicContact CD1-CB 4.34Å; L79-V121 HydrophobicContact CD1-CG2 3.52Å; L79-R124 HydrophobicContact CD2-CB 4.38Å; L79-R124 HydrophobicContact CD2-CG 3.57Å; L79-R124 HydrophobicContact CG-CG 4.18Å
80L90.2Very high82.3Confident81 Ų8151.3 Ų51.342%0.42428%0.278SS..Hα-helixtrans-66-25.6-179.7-67171.1000112.3V46 E47 A76 D77V46-L80 HydrophobicContact CG1-CD2 4.3Å; E47-L80 HydrophobicContact CB-CD1 4.21Å; E47-L80 HydrophobicContact CB-CD2 4.41Å; E47-L80 HydrophobicContact CG-CD1 4.1Å; A76-L80 WeakPolarHBondContact O-CB 3.28Å; A76-L80 VanDerWaalsContact O-CG 3.28Å; A76-L80 WeakPolarHBondContact O-CG 3.3Å; A76-L80 PolarHBondContact O-N 2.84Å; D77-L80 PolarHBondContact O-N 3.39Å
81Q88.1Confident80Confident164 Ų16460.8 Ų60.877%0.76632%0.318SS*.THydrogen-bonded Turntrans-82.9-13171.7-68.1171.319.400113.6D77 L79D77-Q81 WeakPolarHBondContact O-CB 3.43Å; D77-Q81 VanDerWaalsContact O-CG 3.22Å; D77-Q81 WeakPolarHBondContact O-CG 3.08Å; D77-Q81 PolarHBondContact O-N 2.72Å; D77-Q81 VanDerWaalsContact O-N 3.08Å; L79-Q81 PolarHBondContact O-N 2.85Å
82S83.6Confident77.4Confident35 Ų3564.9 Ų64.925%0.24535%0.352CS..SBendtrans-81.2144.9178.3-64.50000110.4S78 L79 L84S78-S82 PolarHBondContact O-N 3.47Å; S78-S82 PolarHBondContact O-OG 2.85Å; L79-S82 VanDerWaalsContact O-CB 3.31Å; L79-S82 WeakPolarHBondContact O-CB 3.25Å; L79-S82 PolarHBondContact O-N 2.67Å; S82-L84 PolarHBondContact O-N 3.37Å
83D74.6Confident74.7Confident110 Ų11071 Ų7159%0.58839%0.388SS*.  trans-72.496.2171.1-176.12.6000110.1S85D83-S85 VanDerWaalsContact CG-OG 3.25Å; D83-S85 PolarHBondContact O-N 3.04Å; D83-S85 WeakPolarHBondContact OD1-CB 3.47Å; D83-S85 PolarHBondContact OD1-N 2.86Å; D83-S85 PolarHBondContact OD1-OG 3.12Å; D83-S85 PolarHBondContact OD2-OG 3.5Å
84L73.3Confident72.2Confident32 Ų3279 Ų7917%0.16843%0.427CS..G310 helixtrans-74.6-7.4178.4-62.3178.8000112.6V46 S82 I86 Q87 N88 L120V46-L84 HydrophobicContact CG1-CD1 4.04Å; V46-L84 HydrophobicContact CG2-CD1 4.29Å; S82-L84 PolarHBondContact O-N 3.37Å; L84-I86 PolarHBondContact O-N 3.2Å; L84-I86 VanDerWaalsContact O-N 3.09Å; L84-Q87 PolarHBondContact O-N 2.88Å; L84-N88 PolarHBondContact O-OD1 3.45Å; L84-L120 HydrophobicContact CD2-CD2 3.82Å
85S65.8Low69.3Low57 Ų5785.7 Ų85.740%0.39946%0.459SS..G310 helixtrans-62.6-24.8-175.272.50000113.8D83 Q87 N88D83-S85 VanDerWaalsContact CG-OG 3.25Å; D83-S85 PolarHBondContact O-N 3.04Å; D83-S85 WeakPolarHBondContact OD1-CB 3.47Å; D83-S85 PolarHBondContact OD1-N 2.86Å; D83-S85 PolarHBondContact OD1-OG 3.12Å; D83-S85 PolarHBondContact OD2-OG 3.5Å; S85-Q87 PolarHBondContact O-N 2.84Å; S85-N88 WeakPolarHBondContact CA-ND2 3.26Å; S85-N88 VanDerWaalsContact O-CB 3.29Å; S85-N88 WeakPolarHBondContact O-CB 3.4Å; S85-N88 VanDerWaalsContact O-CG 3.29Å; S85-N88 PolarHBondContact O-N 3.21Å; S85-N88 PolarHBondContact O-ND2 2.86Å
86I59.9Low66.5Low146 Ų14689.9 Ų89.975%0.74950%0.503SS*.G310 helixtrans-68.8-25177.2-55.6173.3000111.6L84L84-I86 PolarHBondContact O-N 3.2Å; L84-I86 VanDerWaalsContact O-N 3.09Å
87Q61.3Low63.8Low67 Ų6793.8 Ų93.831%0.31354%0.535SS..G310 helixtrans-95.94.9-179.2-56.8-155.3-4.900113.3L84 S85 M112L84-Q87 PolarHBondContact O-N 2.88Å; S85-Q87 PolarHBondContact O-N 2.84Å; Q87-M112 HydrophobicContact CB-CG 4.42Å; Q87-M112 HydrophobicContact CB-SD 3.77Å; Q87-M112 PolarHBondContact OE1-SD 2.81Å; Q87-M112 VanDerWaalsContact OE1-SD 3.33Å
88N63.2Low60.8Low34 Ų3499 Ų9918%0.18256%0.563CS.*  trans-71.4141.4-176.4-72-18.3000113.3L84 S85 N90 L110L84-N88 PolarHBondContact O-OD1 3.45Å; S85-N88 WeakPolarHBondContact CA-ND2 3.26Å; S85-N88 VanDerWaalsContact O-CB 3.29Å; S85-N88 WeakPolarHBondContact O-CB 3.4Å; S85-N88 VanDerWaalsContact O-CG 3.29Å; S85-N88 PolarHBondContact O-N 3.21Å; S85-N88 PolarHBondContact O-ND2 2.86Å; N88-N90 PolarHBondContact O-N 2.8Å; N88-L110 WeakPolarHBondContact ND2-CD2 3.37Å; N88-L110 WeakPolarHBondContact ND2-CG 3.48Å; N88-L110 WeakPolarHBondContact OD1-CD2 3.34Å; N88-L110 WeakPolarHBondContact OD1-CG 3.41Å
89L59.3Low58.1Low78 Ų78102.8 Ų102.841%0.40859%0.586SS.*  trans-79.890.6156.5-71.6165.9000108.5L40 K91 K111 E113L40-L89 HydrophobicContact CD2-CD1 3.63Å; L89-K91 PolarHBondContact O-N 3.08Å; L89-K111 PolarHBondContact N-O 2.82Å; L89-E113 HydrophobicContact CD1-CG 3.81Å; L89-E113 HydrophobicContact CG-CG 4.44Å
90N51.4Low55.4Low140 Ų140110.3 Ų110.375%0.74963%0.626SS**  trans-6896.5163.9-77-17.2000108.2N88 A92N88-N90 PolarHBondContact O-N 2.8Å; N90-A92 PolarHBondContact O-N 2.93Å
91K46.1Very low52.9Low205 Ų205111 Ų11189%0.89164%0.635SS**  trans-73.281160.5-84.6-169.7176.4-1750108.4L89L89-K91 PolarHBondContact O-N 3.08Å
92A43.1Very low50.5Low87 Ų87111.6 Ų111.672%0.71964%0.638SS**  trans-76.8120.8145.300000106.2N90N90-A92 PolarHBondContact O-N 2.93Å
93V39.6Very low48.1Very low127 Ų127116.2 Ų116.277%0.7767%0.665SS**  trans166.5118.4139.7161.50000109.2
94E43.9Very low46.2Very low183 Ų183116.5 Ų116.586%0.85568%0.675SS**  trans15.2115.3140.6-54.1174.2153.700117
95D35.6Very low44.4Very low161 Ų161122.6 Ų122.686%0.86170%0.702SS**  trans-137.5113.9145-133.7-11.3000109.3A97D95-A97 VanDerWaalsContact C-N 3.26Å; D95-A97 PolarHBondContact O-N 3.4Å
96G39.5Very low43Very low89 Ų89129.8 Ų129.892%0.91873%0.727SS**  trans-77.971.3-179.400000111.5
97A39.2Very low42.3Very low82 Ų82129.2 Ų129.268%0.67872%0.721SS**  trans-116.5125.2168.100000109.7D95D95-A97 VanDerWaalsContact C-N 3.26Å; D95-A97 PolarHBondContact O-N 3.4Å
98D31.8Very low41.7Very low162 Ų162131.3 Ų131.387%0.86674%0.743SS**PPolyproline II helixtrans-50.8132.6179.1-95.7-35.9000111.8L100D98-L100 PolarHBondContact O-N 2.86Å
99P38.3Very low41.7Very low115 Ų115133.5 Ų133.575%0.74775%0.754SS**PPolyproline II helixtrans-75.7123.5178.328.1-29.5000110.5
100L36.3Very low42Very low162 Ų162132.8 Ų132.885%0.84875%0.751SS**PPolyproline II helixtrans-57.7131.3156-77.8155.2000108.2D98D98-L100 PolarHBondContact O-N 2.86Å
101P38.1Very low43.4Very low96 Ų96129.3 Ų129.362%0.62373%0.729SS**SBendtrans-72.2145.8177.931-31.1000108.7
102H36.6Very low45.3Very low176 Ų176120 Ų12082%0.81569%0.689SS**  trans94.670177.2-41.8-58.4000116.4
103T33.1Very low47.6Very low132 Ų132119 Ų11981%0.8167%0.669SS**  -167.9106.7121.943.80000108.6
104S34.9Very low50.1Low115 Ų115113.3 Ų113.380%0.80464%0.635SS**  trans-78.7112.6171.350.10000109.8
105E34.6Very low52.4Low160 Ų160106.9 Ų106.975%0.74861%0.608SS**  trans154.376.9146.7-87177.7-17400109.1H107E105-H107 PolarHBondContact O-N 3.28Å
106F37.3Very low55Low208 Ų208102.6 Ų102.691%0.91258%0.582SS**  trans-73.881.1162.1-97.6-94.3000107.9S108F106-S108 PolarHBondContact O-N 2.85Å
107H45.4Very low57.6Low135 Ų13598.6 Ų98.663%0.62554%0.539SS*.  trans-66.9121.4155.4-78.8-76.9000106.7E105 D109E105-H107 PolarHBondContact O-N 3.28Å; H107-D109 PolarHBondContact O-N 3.22Å
108S49Very low60.2Low110 Ų11094.7 Ų94.777%0.76951%0.507SS*.  trans-67.185.2170.2570000107.6F106 L110F106-S108 PolarHBondContact O-N 2.85Å; S108-L110 PolarHBondContact O-N 3.02Å
109D61.8Low63.2Low80 Ų8088.6 Ų88.643%0.42847%0.472SS..  trans-55.3114.9175.8-70.1-16.5000107.8T42 H107 K111 R239T42-D109 HydrophobicContact CG2-CB 4.12Å; H107-D109 PolarHBondContact O-N 3.22Å; D109-K111 WeakPolarHBondContact O-CG 3.31Å; D109-K111 PolarHBondContact O-N 2.9Å; D109-R239 IonicContact OD2-NH1 3.75Å
110L66.4Low65.8Low63 Ų6384.6 Ų84.633%0.3344%0.444SS..  trans-55.1124.7169.9-113.172.4000108T42 N88 S108T42-L110 WeakPolarHBondContact CA-O 3.41Å; N88-L110 WeakPolarHBondContact ND2-CD2 3.37Å; N88-L110 WeakPolarHBondContact ND2-CG 3.48Å; N88-L110 WeakPolarHBondContact OD1-CD2 3.34Å; N88-L110 WeakPolarHBondContact OD1-CG 3.41Å; S108-L110 PolarHBondContact O-N 3.02Å
111K80.3Confident68.6Low68 Ų6876.9 Ų76.930%0.29640%0.404SS..EExtended strand (participates in β ladder)trans-123.7132.9-179.5-72.6170.9-167.5179.60110L40 V41 T42 L89 D109L40-K111 HydrophobicContact CD1-CD 4.35Å; V41-K111 WeakPolarHBondContact O-CA 3.42Å; T42-K111 HydrophobicContact CG2-CG 3.9Å; L89-K111 PolarHBondContact N-O 2.82Å; D109-K111 WeakPolarHBondContact O-CG 3.31Å; D109-K111 PolarHBondContact O-N 2.9Å
112M86.6Confident71.4Confident9 Ų972.4 Ų72.44%0.04438%0.375CS..EExtended strand (participates in β ladder)trans-121.5148.1175175170.54500109.4L40 V41 V46 Q87 S114 M117L40-M112 WeakPolarHBondContact CA-O 3.41Å; V41-M112 HydrophobicContact CG1-CB 3.95Å; V41-M112 HydrophobicContact CG1-CE 4.01Å; V41-M112 HydrophobicContact CG1-CG 4.43Å; V41-M112 PolarHBondContact N-O 2.9Å; V41-M112 PolarHBondContact O-N 3.29Å; V46-M112 HydrophobicContact CG2-CE 4.43Å; Q87-M112 HydrophobicContact CB-CG 4.42Å; Q87-M112 HydrophobicContact CB-SD 3.77Å; Q87-M112 PolarHBondContact OE1-SD 2.81Å; Q87-M112 VanDerWaalsContact OE1-SD 3.33Å; M112-S114 PolarHBondContact O-N 3.27Å; M112-M117 HydrophobicContact CE-CB 3.51Å; M112-M117 HydrophobicContact CE-CG 3.39Å; M112-M117 HydrophobicContact CG-CB 4.3Å; M112-M117 HydrophobicContact SD-CB 3.93Å; M112-M117 HydrophobicContact SD-CG 4.41Å
113E90.8Very high74.2Confident65 Ų6565.3 Ų65.330%0.30434%0.343SS..EExtended strand (participates in β ladder)trans-66.3125.9171.4-65.4169.3-147.500109.8D39 L89 V115 K116 M117D39-E113 WeakPolarHBondContact O-CA 3.47Å; L89-E113 HydrophobicContact CD1-CG 3.81Å; L89-E113 HydrophobicContact CG-CG 4.44Å; E113-V115 PolarHBondContact O-N 3.12Å; E113-K116 HydrophobicContact CB-CB 4.19Å; E113-K116 HydrophobicContact CB-CD 4.05Å; E113-K116 HydrophobicContact CB-CG 4.05Å; E113-K116 HydrophobicContact CG-CD 4.33Å; E113-K116 WeakPolarHBondContact O-CA 3.31Å; E113-K116 WeakPolarHBondContact O-CB 3.39Å; E113-K116 PolarHBondContact O-N 3.31Å; E113-K116 IonicContact OE1-NZ 3.94Å; E113-K116 PolarHBondContact OE1-NZ 3.2Å; E113-K116 WeakPolarHBondContact OE2-CD 3.38Å; E113-K116 WeakPolarHBondContact OE2-CE 3.41Å; E113-K116 IonicContact OE2-NZ 2.76Å; E113-K116 PolarHBondContact OE2-NZ 3.42Å; E113-M117 PolarHBondContact O-N 2.9Å
114S91.8Very high77.2Confident9 Ų962.3 Ų62.36%0.06332%0.316CS..Hα-helixtrans-59.9-34.2-175.3-52.50000112.5S38 D39 L40 M112 K116 M117 A118S38-S114 WeakPolarHBondContact O-CB 3.35Å; S38-S114 PolarHBondContact O-OG 3.49Å; D39-S114 PolarHBondContact O-N 3.48Å; D39-S114 PolarHBondContact O-OG 2.92Å; L40-S114 WeakPolarHBondContact CA-OG 3.49Å; L40-S114 PolarHBondContact N-OG 2.91Å; L40-S114 VanDerWaalsContact N-OG 3.17Å; M112-S114 PolarHBondContact O-N 3.27Å; S114-K116 VanDerWaalsContact C-N 3.35Å; S114-K116 PolarHBondContact O-N 3.12Å; S114-M117 WeakPolarHBondContact O-CB 3.28Å; S114-M117 PolarHBondContact O-N 3.43Å; S114-A118 WeakPolarHBondContact O-CB 3.45Å; S114-A118 PolarHBondContact O-N 2.93Å
115V92.7Very high80.1Confident47 Ų4756.9 Ų56.929%0.28528%0.279SS..Hα-helixtrans-66.5-36.3176.2177.40000111.9V32 E113 R119V32-V115 HydrophobicContact CG1-CG1 4.24Å; V32-V115 HydrophobicContact CG2-CG1 4.33Å; E113-V115 PolarHBondContact O-N 3.12Å; V115-R119 WeakPolarHBondContact O-CB 3.48Å; V115-R119 PolarHBondContact O-N 3.35Å; V115-R119 VanDerWaalsContact O-N 3.11Å
116K91.5Very high83Confident71 Ų7150.9 Ų50.931%0.30925%0.25SS..Hα-helixtrans-67.7-43.9174.3-71.4179.5177.1158.90110.4E113 S114 R119 L120E113-K116 HydrophobicContact CB-CB 4.19Å; E113-K116 HydrophobicContact CB-CD 4.05Å; E113-K116 HydrophobicContact CB-CG 4.05Å; E113-K116 HydrophobicContact CG-CD 4.33Å; E113-K116 WeakPolarHBondContact O-CA 3.31Å; E113-K116 WeakPolarHBondContact O-CB 3.39Å; E113-K116 PolarHBondContact O-N 3.31Å; E113-K116 IonicContact OE1-NZ 3.94Å; E113-K116 PolarHBondContact OE1-NZ 3.2Å; E113-K116 WeakPolarHBondContact OE2-CD 3.38Å; E113-K116 WeakPolarHBondContact OE2-CE 3.41Å; E113-K116 IonicContact OE2-NZ 2.76Å; E113-K116 PolarHBondContact OE2-NZ 3.42Å; S114-K116 VanDerWaalsContact C-N 3.35Å; S114-K116 PolarHBondContact O-N 3.12Å; K116-R119 WeakPolarHBondContact O-CB 3.47Å; K116-R119 PolarHBondContact O-N 2.93Å; K116-L120 PolarHBondContact O-N 3.37Å
117M92.6Very high85.8Confident5 Ų545.1 Ų45.13%0.02523%0.226CC..Hα-helixtrans-56.6-52.2174.1-171-76.718000111.3V41 V46 E49 C50 L53 M112 E113 S114 R119 L120 V121V41-M117 HydrophobicContact CG1-CB 3.98Å; V41-M117 HydrophobicContact CG1-CG 4.05Å; V46-M117 HydrophobicContact CG1-CE 4.12Å; V46-M117 WeakPolarHBondContact O-CE 3.37Å; E49-M117 HydrophobicContact CB-CE 4.19Å; C50-M117 HydrophobicContact CB-CE 3.71Å; L53-M117 HydrophobicContact CD1-SD 3.91Å; M112-M117 HydrophobicContact CE-CB 3.51Å; M112-M117 HydrophobicContact CE-CG 3.39Å; M112-M117 HydrophobicContact CG-CB 4.3Å; M112-M117 HydrophobicContact SD-CB 3.93Å; M112-M117 HydrophobicContact SD-CG 4.41Å; E113-M117 PolarHBondContact O-N 2.9Å; S114-M117 WeakPolarHBondContact O-CB 3.28Å; S114-M117 PolarHBondContact O-N 3.43Å; M117-R119 VanDerWaalsContact C-N 3.28Å; M117-R119 PolarHBondContact O-N 3.31Å; M117-L120 WeakPolarHBondContact O-CA 3.37Å; M117-L120 WeakPolarHBondContact O-CB 3.4Å; M117-L120 PolarHBondContact O-N 3.22Å; M117-V121 HydrophobicContact CE-CG2 3.22Å; M117-V121 WeakPolarHBondContact O-CG2 3.31Å; M117-V121 PolarHBondContact O-N 3.39Å; M117-V121 HydrophobicContact SD-CB 4.46Å; M117-V121 HydrophobicContact SD-CG2 3.28Å; M117-V121 WeakPolarHBondContact SD-CG2 3.12Å
118A94.3Very high88.3Confident0 Ų039.3 Ų39.30%020%0.199CC..Hα-helixtrans-59.4-40.8-178.700000111.9V32 P36 L53 S114 L120 V121 F122V32-A118 HydrophobicContact CG1-CB 4.37Å; P36-A118 HydrophobicContact CG-CB 3.77Å; L53-A118 HydrophobicContact CD1-CB 3.76Å; S114-A118 WeakPolarHBondContact O-CB 3.45Å; S114-A118 PolarHBondContact O-N 2.93Å; A118-L120 VanDerWaalsContact C-N 3.33Å; A118-L120 PolarHBondContact O-N 3.47Å; A118-V121 PolarHBondContact O-N 3Å; A118-F122 HydrophobicContact CB-CE2 4.15Å; A118-F122 WeakPolarHBondContact O-CD2 3.39Å; A118-F122 PolarHBondContact O-N 2.88Å
119R94.2Very high90.5Very high34 Ų3434.1 Ų34.113%0.12816%0.163CC..Hα-helixtrans-59.7-44.5174.1-171177.2-6894.94.1111.8L26 Q27 D30 V32 V115 K116 M117 F122 N123L26-R119 HydrophobicContact CB-CG 3.63Å; L26-R119 HydrophobicContact CD1-CG 4.08Å; L26-R119 HydrophobicContact CG-CG 4.48Å; Q27-R119 WeakPolarHBondContact O-CD 3.29Å; Q27-R119 PolarHBondContact O-NE 2.98Å; D30-R119 PolarHBondContact O-NH2 3.23Å; V32-R119 HydrophobicContact CG1-CB 3.96Å; V115-R119 WeakPolarHBondContact O-CB 3.48Å; V115-R119 PolarHBondContact O-N 3.35Å; V115-R119 VanDerWaalsContact O-N 3.11Å; K116-R119 WeakPolarHBondContact O-CB 3.47Å; K116-R119 PolarHBondContact O-N 2.93Å; M117-R119 VanDerWaalsContact C-N 3.28Å; M117-R119 PolarHBondContact O-N 3.31Å; R119-F122 PolarHBondContact O-N 3.27Å; R119-N123 WeakPolarHBondContact O-CB 3.47Å; R119-N123 PolarHBondContact O-N 3.16Å
120L93.4Very high92.1Very high32 Ų3231.8 Ų31.817%0.16815%0.153CC..Hα-helixtrans-61.5-45.3176.9-174.666.5000111.1L79 L84 K116 M117 A118 N123 R124L79-L120 HydrophobicContact CD2-CD1 4.41Å; L79-L120 HydrophobicContact CD2-CD2 3.51Å; L79-L120 HydrophobicContact CD2-CG 3.52Å; L84-L120 HydrophobicContact CD2-CD2 3.82Å; K116-L120 PolarHBondContact O-N 3.37Å; M117-L120 WeakPolarHBondContact O-CA 3.37Å; M117-L120 WeakPolarHBondContact O-CB 3.4Å; M117-L120 PolarHBondContact O-N 3.22Å; A118-L120 VanDerWaalsContact C-N 3.33Å; A118-L120 PolarHBondContact O-N 3.47Å; L120-N123 PolarHBondContact O-N 2.95Å; L120-R124 WeakPolarHBondContact O-CG 3.2Å; L120-R124 PolarHBondContact O-N 3.23Å
121V95.5Very high93.5Very high0 Ų033.8 Ų33.80%016%0.163CC..Hα-helixtrans-56.4-52.8175.6172.40000111.5C50 L53 C54 T75 L79 M117 A118 N123 R124 L125C50-V121 HydrophobicContact CB-CG2 4.13Å; L53-V121 HydrophobicContact CB-CG1 4.07Å; L53-V121 HydrophobicContact CD1-CB 4.48Å; L53-V121 HydrophobicContact CD1-CG2 4.29Å; C54-V121 WeakPolarHBondContact SG-CG1 3.22Å; T75-V121 HydrophobicContact CG2-CG1 4.33Å; L79-V121 HydrophobicContact CD1-CB 4.34Å; L79-V121 HydrophobicContact CD1-CG2 3.52Å; M117-V121 HydrophobicContact CE-CG2 3.22Å; M117-V121 WeakPolarHBondContact O-CG2 3.31Å; M117-V121 PolarHBondContact O-N 3.39Å; M117-V121 HydrophobicContact SD-CB 4.46Å; M117-V121 HydrophobicContact SD-CG2 3.28Å; M117-V121 WeakPolarHBondContact SD-CG2 3.12Å; A118-V121 PolarHBondContact O-N 3Å; V121-N123 VanDerWaalsContact C-N 3.32Å; V121-N123 PolarHBondContact O-N 3.44Å; V121-R124 PolarHBondContact O-N 2.96Å; V121-L125 WeakPolarHBondContact O-CB 3.5Å; V121-L125 PolarHBondContact O-N 2.91Å
122F95.9Very high94.2Very high2 Ų232.3 Ų32.31%0.00916%0.156CC..Hα-helixtrans-65.2-36.7-177.1-66.7-55.2000112.8L26 V32 P33 M34 L53 H57 A118 R119 F126L26-F122 HydrophobicContact CD1-CB 4.14Å; L26-F122 HydrophobicContact CD1-CD2 4.4Å; V32-F122 HydrophobicContact CB-CD2 4.47Å; V32-F122 HydrophobicContact CB-CE2 4.33Å; P33-F122 HydrophobicContact CB-CD2 4.42Å; P33-F122 HydrophobicContact CB-CE1 4.35Å; P33-F122 HydrophobicContact CB-CE2 4.11Å; P33-F122 HydrophobicContact CB-CZ 4.09Å; P33-F122 VanDerWaalsContact CD-CD2 3.49Å; P33-F122 HydrophobicContact CG-CD1 4.25Å; P33-F122 HydrophobicContact CG-CD2 3.86Å; P33-F122 HydrophobicContact CG-CE1 4.46Å; P33-F122 HydrophobicContact CG-CE2 4.06Å; P33-F122 HydrophobicContact CG-CG 3.97Å; P33-F122 HydrophobicContact CG-CZ 4.36Å; M34-F122 HydrophobicContact CB-CZ 4.25Å; M34-F122 HydrophobicContact CE-CE1 4.01Å; M34-F122 HydrophobicContact CE-CZ 3.7Å; L53-F122 HydrophobicContact CB-CZ 4.3Å; L53-F122 HydrophobicContact CD2-CZ 4.1Å; H57-F122 HydrophobicContact CB-CD1 4.46Å; H57-F122 HydrophobicContact CB-CE1 3.73Å; H57-F122 AromaticContact CD2-CD1 3.87Å; H57-F122 AromaticContact CD2-CE1 3.95Å; H57-F122 AromaticContact CG-CE1 3.72Å; A118-F122 HydrophobicContact CB-CE2 4.15Å; A118-F122 WeakPolarHBondContact O-CD2 3.39Å; A118-F122 PolarHBondContact O-N 2.88Å; R119-F122 PolarHBondContact O-N 3.27Å; F122-F126 WeakPolarHBondContact O-CB 3.17Å; F122-F126 PolarHBondContact O-N 2.7Å; F122-F126 VanDerWaalsContact O-N 3.12Å
123N95.6Very high94.5Very high26 Ų2635.4 Ų35.414%0.13917%0.17CC..Hα-helixtrans-63.4-46.4173.8-75-13.9000111.1P25 L26 R119 L120 V121 F126 E127P25-N123 WeakPolarHBondContact CA-OD1 3.06Å; L26-N123 PolarHBondContact N-OD1 3.33Å; L26-N123 PolarHBondContact O-ND2 3.18Å; L26-N123 VanDerWaalsContact O-ND2 3.1Å; R119-N123 WeakPolarHBondContact O-CB 3.47Å; R119-N123 PolarHBondContact O-N 3.16Å; L120-N123 PolarHBondContact O-N 2.95Å; V121-N123 VanDerWaalsContact C-N 3.32Å; V121-N123 PolarHBondContact O-N 3.44Å; N123-F126 PolarHBondContact O-N 2.81Å; N123-E127 WeakPolarHBondContact O-CG 3.46Å; N123-E127 PolarHBondContact O-N 3.41Å
124R96Very high94.6Very high69 Ų6940.3 Ų40.326%0.2619%0.191SC..Hα-helixtrans-64.4-43.7177-71.3-50.5-167.1-173.64.1113.1T75 L79 L120 V121 F126 E127 I128T75-R124 HydrophobicContact CG2-CB 3.82Å; L79-R124 HydrophobicContact CD2-CB 4.38Å; L79-R124 HydrophobicContact CD2-CG 3.57Å; L79-R124 HydrophobicContact CG-CG 4.18Å; L120-R124 WeakPolarHBondContact O-CG 3.2Å; L120-R124 PolarHBondContact O-N 3.23Å; V121-R124 PolarHBondContact O-N 2.96Å; R124-F126 PolarHBondContact O-N 3.28Å; R124-E127 VanDerWaalsContact CD-OE2 3.29Å; R124-E127 WeakPolarHBondContact CD-OE2 3.37Å; R124-E127 IonicContact CZ-OE2 2.78Å; R124-E127 IonicContact NE-OE2 3.42Å; R124-E127 IonicContact NH1-OE1 3.76Å; R124-E127 IonicContact NH1-OE2 3.31Å; R124-E127 PolarHBondContact NH1-OE2 2.96Å; R124-E127 WeakPolarHBondContact O-CB 3.46Å; R124-E127 PolarHBondContact O-N 3.38Å; R124-I128 WeakPolarHBondContact O-CG1 3.45Å; R124-I128 PolarHBondContact O-N 3.21Å
125L96.9Very high94.5Very high2 Ų247.3 Ų47.31%0.0122%0.222CC..Hα-helixtrans-56-44176.8174.960.2000110.8F18 C54 L58 L71 T75 V121 I128 C129F18-L125 HydrophobicContact CZ-CD2 4.43Å; C54-L125 HydrophobicContact CB-CD2 4.45Å; L58-L125 HydrophobicContact CD1-CD1 4.07Å; L58-L125 HydrophobicContact CD1-CD2 4.48Å; L58-L125 HydrophobicContact CD2-CD1 4.37Å; L58-L125 HydrophobicContact CD2-CD2 4.38Å; L58-L125 HydrophobicContact CG-CD1 4.48Å; L58-L125 HydrophobicContact CG-CD2 4.21Å; L71-L125 HydrophobicContact CB-CD1 4.03Å; T75-L125 HydrophobicContact CG2-CB 4.12Å; T75-L125 WeakPolarHBondContact OG1-CA 3.45Å; V121-L125 WeakPolarHBondContact O-CB 3.5Å; V121-L125 PolarHBondContact O-N 2.91Å; L125-I128 PolarHBondContact O-N 3.04Å; L125-C129 PolarHBondContact O-N 3.31Å; L125-C129 PolarHBondContact O-SG 3.36Å
126F96.1Very high94.2Very high34 Ų3446.1 Ų46.115%0.14921%0.214CC..Hα-helixtrans-69.3-40.2178.1176.5-100.6000114.1V19 M22 L24 F122 N123 R124 I128 C129 C130V19-F126 HydrophobicContact CB-CE2 4.32Å; V19-F126 HydrophobicContact CG1-CE2 3.89Å; V19-F126 HydrophobicContact CG1-CZ 4.22Å; V19-F126 HydrophobicContact CG2-CE2 4.45Å; M22-F126 HydrophobicContact CB-CD2 3.74Å; M22-F126 HydrophobicContact CB-CE2 3.72Å; M22-F126 HydrophobicContact CG-CD2 4.16Å; L24-F126 HydrophobicContact CB-CB 4.26Å; L24-F126 HydrophobicContact CB-CD1 3.56Å; L24-F126 HydrophobicContact CB-CD2 4.08Å; L24-F126 HydrophobicContact CB-CE1 3.79Å; L24-F126 HydrophobicContact CB-CE2 4.26Å; L24-F126 HydrophobicContact CB-CG 3.71Å; L24-F126 HydrophobicContact CB-CZ 4.13Å; L24-F126 HydrophobicContact CD1-CB 3.17Å; L24-F126 HydrophobicContact CD1-CD1 4.12Å; L24-F126 HydrophobicContact CD1-CD2 3.57Å; L24-F126 HydrophobicContact CD1-CE2 4.42Å; L24-F126 HydrophobicContact CD1-CG 3.36Å; L24-F126 HydrophobicContact CG-CB 4.27Å; L24-F126 HydrophobicContact CG-CD1 4.44Å; L24-F126 HydrophobicContact CG-CD2 4.32Å; L24-F126 HydrophobicContact CG-CG 4.1Å; F122-F126 WeakPolarHBondContact O-CB 3.17Å; F122-F126 PolarHBondContact O-N 2.7Å; F122-F126 VanDerWaalsContact O-N 3.12Å; N123-F126 PolarHBondContact O-N 2.81Å; R124-F126 PolarHBondContact O-N 3.28Å; F126-I128 VanDerWaalsContact C-N 3.26Å; F126-I128 PolarHBondContact O-N 3.23Å; F126-C129 PolarHBondContact O-N 3.12Å; F126-C130 VanDerWaalsContact CZ-SG 3.59Å; F126-C130 WeakPolarHBondContact O-CB 3.5Å; F126-C130 PolarHBondContact O-N 2.86Å; F126-C130 PolarHBondContact O-SG 2.89Å
127E96Very high93.8Very high86 Ų8646.6 Ų46.640%0.40222%0.224SC..Hα-helixtrans-55.1-46.1171.8-73.6172.3-177.700110.6N123 R124 C130 L131N123-E127 WeakPolarHBondContact O-CG 3.46Å; N123-E127 PolarHBondContact O-N 3.41Å; R124-E127 VanDerWaalsContact CD-OE2 3.29Å; R124-E127 WeakPolarHBondContact CD-OE2 3.37Å; R124-E127 IonicContact CZ-OE2 2.78Å; R124-E127 IonicContact NE-OE2 3.42Å; R124-E127 IonicContact NH1-OE1 3.76Å; R124-E127 IonicContact NH1-OE2 3.31Å; R124-E127 PolarHBondContact NH1-OE2 2.96Å; R124-E127 WeakPolarHBondContact O-CB 3.46Å; R124-E127 PolarHBondContact O-N 3.38Å; E127-C130 WeakPolarHBondContact O-CB 3.32Å; E127-C130 PolarHBondContact O-N 3.48Å; E127-L131 WeakPolarHBondContact O-CG 3.35Å; E127-L131 PolarHBondContact O-N 2.72Å
128I96.3Very high92.7Very high14 Ų1448.1 Ų48.17%0.07223%0.231CC..Hα-helixtrans-64.6-46177.7-69.3164.7000111.3L71 A74 T75 R124 L125 F126 C130 L131 W132L71-I128 HydrophobicContact CD2-CG2 3.72Å; A74-I128 HydrophobicContact CB-CD1 4.09Å; A74-I128 HydrophobicContact CB-CG2 4.01Å; A74-I128 WeakPolarHBondContact O-CD1 3.42Å; T75-I128 HydrophobicContact CG2-CD1 4.46Å; T75-I128 VanDerWaalsContact N-CD1 3.32Å; T75-I128 WeakPolarHBondContact OG1-CD1 3.29Å; R124-I128 WeakPolarHBondContact O-CG1 3.45Å; R124-I128 PolarHBondContact O-N 3.21Å; L125-I128 PolarHBondContact O-N 3.04Å; F126-I128 VanDerWaalsContact C-N 3.26Å; F126-I128 PolarHBondContact O-N 3.23Å; I128-C130 VanDerWaalsContact C-N 3.27Å; I128-C130 PolarHBondContact O-N 3.19Å; I128-L131 PolarHBondContact O-N 2.69Å; I128-L131 VanDerWaalsContact O-N 3.15Å; I128-W132 HydrophobicContact CG2-CD2 4.14Å; I128-W132 HydrophobicContact CG2-CG 4.29Å; I128-W132 HydrophobicContact CG2-CZ2 4.31Å; I128-W132 WeakPolarHBondContact O-CB 3.24Å; I128-W132 PolarHBondContact O-N 2.91Å
129C96.3Very high91.5Very high0 Ų059.1 Ų59.10%027%0.273CS..Hα-helixtrans-56.9-41.1174.8-74.50000112L15 F18 V19 L125 F126 W132 Q133L15-C129 HydrophobicContact CD2-CB 4.03Å; F18-C129 HydrophobicContact CD1-CB 4.36Å; V19-C129 HydrophobicContact CG2-CB 3.84Å; L125-C129 PolarHBondContact O-N 3.31Å; L125-C129 PolarHBondContact O-SG 3.36Å; F126-C129 PolarHBondContact O-N 3.12Å; C129-W132 PolarHBondContact O-N 3.25Å; C129-Q133 WeakPolarHBondContact O-CB 3.21Å; C129-Q133 PolarHBondContact O-N 2.72Å
130C95.6Very high90.2Very high32 Ų3261.8 Ų61.822%0.21628%0.283CS..Hα-helixtrans-66.2-38.8177-71.10000112.6F126 E127 I128F126-C130 VanDerWaalsContact CZ-SG 3.59Å; F126-C130 WeakPolarHBondContact O-CB 3.5Å; F126-C130 PolarHBondContact O-N 2.86Å; F126-C130 PolarHBondContact O-SG 2.89Å; E127-C130 WeakPolarHBondContact O-CB 3.32Å; E127-C130 PolarHBondContact O-N 3.48Å; I128-C130 VanDerWaalsContact C-N 3.27Å; I128-C130 PolarHBondContact O-N 3.19Å
131L95.3Very high89Confident105 Ų10563.9 Ų63.955%0.5529%0.288SS..Hα-helixtrans-64.9-47.4174.3-70.2170.7000110.5E127 I128 Q133 K134 E135E127-L131 WeakPolarHBondContact O-CG 3.35Å; E127-L131 PolarHBondContact O-N 2.72Å; I128-L131 PolarHBondContact O-N 2.69Å; I128-L131 VanDerWaalsContact O-N 3.15Å; L131-Q133 VanDerWaalsContact C-N 3.31Å; L131-Q133 PolarHBondContact O-N 3.45Å; L131-K134 WeakPolarHBondContact O-CB 3.11Å; L131-K134 PolarHBondContact O-N 3.17Å; L131-K134 VanDerWaalsContact O-N 3.09Å; L131-E135 PolarHBondContact O-N 2.66Å
132W95.1Very high87.7Confident36 Ų3669.5 Ų69.514%0.13633%0.325CS..Hα-helixtrans-72.8-23.5-175.8-72.322.2000113.4L15 L67 A70 L71 A74 I128 C129 K134 E135 L136 P137L15-W132 HydrophobicContact CD1-CB 4.02Å; L67-W132 HydrophobicContact CD1-CE3 4.2Å; L67-W132 HydrophobicContact CD1-CZ3 4.27Å; A70-W132 HydrophobicContact CB-CH2 3.72Å; A70-W132 HydrophobicContact CB-CZ3 3.67Å; A70-W132 WeakPolarHBondContact O-CH2 3.22Å; L71-W132 HydrophobicContact CD2-CD2 3.86Å; L71-W132 HydrophobicContact CD2-CE3 3.37Å; L71-W132 HydrophobicContact CD2-CG 4.46Å; L71-W132 HydrophobicContact CD2-CH2 4.45Å; L71-W132 HydrophobicContact CD2-CZ3 3.7Å; L71-W132 HydrophobicContact CG-CE3 4.01Å; L71-W132 HydrophobicContact CG-CZ3 3.93Å; A74-W132 HydrophobicContact CB-CH2 4.05Å; A74-W132 HydrophobicContact CB-CZ2 3.62Å; I128-W132 HydrophobicContact CG2-CD2 4.14Å; I128-W132 HydrophobicContact CG2-CG 4.29Å; I128-W132 HydrophobicContact CG2-CZ2 4.31Å; I128-W132 WeakPolarHBondContact O-CB 3.24Å; I128-W132 PolarHBondContact O-N 2.91Å; C129-W132 PolarHBondContact O-N 3.25Å; W132-K134 VanDerWaalsContact C-N 3.27Å; W132-K134 PolarHBondContact O-N 3.08Å; W132-E135 WeakPolarHBondContact CA-O 3.35Å; W132-E135 CarbonylContact O-C 3.6Å; W132-L136 HydrophobicContact CB-CD1 4.24Å; W132-L136 HydrophobicContact CE3-CD1 4.17Å; W132-L136 PolarHBondContact O-N 3.5Å; W132-P137 HydrophobicContact CD2-CG 3.96Å; W132-P137 HydrophobicContact CG-CG 4.28Å; W132-P137 HydrophobicContact CZ2-CG 3.82Å
133Q92.9Very high86.4Confident74 Ų7471.3 Ų71.335%0.34633%0.333SS..Hα-helixtrans-62.1-37.2169.5-170.9-174.21900111.4L15 C129 L131L15-Q133 HydrophobicContact CB-CB 4.37Å; C129-Q133 WeakPolarHBondContact O-CB 3.21Å; C129-Q133 PolarHBondContact O-N 2.72Å; L131-Q133 VanDerWaalsContact C-N 3.31Å; L131-Q133 PolarHBondContact O-N 3.45Å
134K91.9Very high85.6Confident169 Ų16972.5 Ų72.574%0.73534%0.342SS*.Hα-helixtrans-76.5-51.3178-61.8173.5-175.4173.90110.8L131 W132L131-K134 WeakPolarHBondContact O-CB 3.11Å; L131-K134 PolarHBondContact O-N 3.17Å; L131-K134 VanDerWaalsContact O-N 3.09Å; W132-K134 VanDerWaalsContact C-N 3.27Å; W132-K134 PolarHBondContact O-N 3.08Å
135E90.8Very high84.9Confident156 Ų15672.2 Ų72.273%0.72934%0.341SS*.  trans-137.3108.8-178.5-176.9173.6-16700109.1L131 W132 P137L131-E135 PolarHBondContact O-N 2.66Å; W132-E135 WeakPolarHBondContact CA-O 3.35Å; W132-E135 CarbonylContact O-C 3.6Å; E135-P137 WeakPolarHBondContact O-CD 3.39Å
136L87.3Confident84.7Confident21 Ų2173.3 Ų73.311%0.1135%0.346CS..  trans-83.1108.3179.6-172.273.2000108.5E8 F11 L15 L67 W132 F138E8-L136 HydrophobicContact CG-CD2 3.89Å; F11-L136 HydrophobicContact CB-CD2 4.17Å; F11-L136 HydrophobicContact CD2-CD2 4.22Å; L15-L136 HydrophobicContact CD1-CD1 3.84Å; L67-L136 HydrophobicContact CD1-CD1 4.41Å; W132-L136 HydrophobicContact CB-CD1 4.24Å; W132-L136 HydrophobicContact CE3-CD1 4.17Å; W132-L136 PolarHBondContact O-N 3.5Å; L136-F138 HydrophobicContact CD1-CB 4.31Å; L136-F138 HydrophobicContact CG-CB 4.08Å; L136-F138 PolarHBondContact O-N 2.86Å
137P81.9Confident84.5Confident81 Ų8173.6 Ų73.653%0.52635%0.347SS..  trans-77.5-4.3-178.434.1-36.1000112.3W132 E135W132-P137 HydrophobicContact CD2-CG 3.96Å; W132-P137 HydrophobicContact CG-CG 4.28Å; W132-P137 HydrophobicContact CZ2-CG 3.82Å; E135-P137 WeakPolarHBondContact O-CD 3.39Å
138F69Low84.4Confident37 Ų3770 Ų7016%0.16233%0.332CS..  trans-83.5122.3-166.2-173.2-102.7000112.4F11 A70 L136 R140 T172F11-F138 HydrophobicContact CD2-CD1 4.07Å; F11-F138 HydrophobicContact CD2-CE1 4.48Å; F11-F138 AromaticContact CE2-CD1 3.6Å; F11-F138 HydrophobicContact CE2-CD1 3.6Å; F11-F138 AromaticContact CE2-CE1 3.59Å; F11-F138 HydrophobicContact CE2-CE1 3.59Å; F11-F138 HydrophobicContact CZ-CE1 4.27Å; A70-F138 HydrophobicContact CB-CD2 3.66Å; A70-F138 HydrophobicContact CB-CE2 3.7Å; L136-F138 HydrophobicContact CD1-CB 4.31Å; L136-F138 HydrophobicContact CG-CB 4.08Å; L136-F138 PolarHBondContact O-N 2.86Å; F138-R140 HydrophobicContact CE1-CB 3.78Å; F138-R140 HydrophobicContact CE1-CG 4.1Å; F138-R140 HydrophobicContact CZ-CB 4.29Å; F138-R140 HydrophobicContact CZ-CG 4.31Å; F138-T172 HydrophobicContact CE2-CG2 3.83Å; F138-T172 HydrophobicContact CZ-CG2 4.47Å
139R69.4Low84.5Confident232 Ų23269.6 Ų69.688%0.87533%0.33SS*.  trans-115.8116.6164-75.7-170.4174.6-172.80.6109.1
140R66.8Low84.6Confident90 Ų9070.5 Ų70.534%0.3434%0.335SS..  trans-66.9142.6179.5-159.7-165.3165.4-171.8-0.7111.2E7 F138E7-R140 WeakPolarHBondContact OE1-CD 3.19Å; E7-R140 IonicContact OE1-CZ 3.03Å; E7-R140 IonicContact OE1-NE 3.86Å; E7-R140 IonicContact OE1-NH1 2.76Å; E7-R140 PolarHBondContact OE1-NH1 3.12Å; E7-R140 WeakPolarHBondContact OE2-CD 3.37Å; E7-R140 IonicContact OE2-CZ 2.88Å; E7-R140 IonicContact OE2-NE 3.04Å; E7-R140 IonicContact OE2-NH1 3.27Å; E7-R140 PolarHBondContact OE2-NH1 3.04Å; F138-R140 HydrophobicContact CE1-CB 3.78Å; F138-R140 HydrophobicContact CE1-CG 4.1Å; F138-R140 HydrophobicContact CZ-CB 4.29Å; F138-R140 HydrophobicContact CZ-CG 4.31Å
141R68.3Low84.7Confident76 Ų7670.6 Ų70.629%0.28733%0.332SS..  trans-85.3149.9164.3-63.6-178.9175.8-143.6-12.5110.6Q143 Q177 E181R141-Q143 PolarHBondContact O-N 2.76Å; R141-Q143 VanDerWaalsContact O-N 3.07Å; R141-Q177 PolarHBondContact NH1-O 3.21Å; R141-Q177 PolarHBondContact NH2-O 3.06Å; R141-E181 VanDerWaalsContact CB-OE1 3.3Å; R141-E181 WeakPolarHBondContact CB-OE1 3.48Å
142P68.1Low84.8Confident118 Ų11866.8 Ų66.877%0.76632%0.315SS*.  trans-59.7113168.9-16.229.5000109.1
143Q68.9Low84.9Confident40 Ų4066.7 Ų66.719%0.18732%0.317CS..  trans-91.1145178.2-73.5169.1-8.300110.6R141 D169R141-Q143 PolarHBondContact O-N 2.76Å; R141-Q143 VanDerWaalsContact O-N 3.07Å; Q143-D169 VanDerWaalsContact NE2-CB 3.32Å; Q143-D169 PolarHBondContact NE2-OD2 2.95Å
144P78.2Confident85.1Confident50 Ų5067.5 Ų67.533%0.32532%0.32SS..  trans-61.4161.3166.5-16.530.5000111.4Y146 E181P144-Y146 HydrophobicContact CB-CD2 4.18Å; P144-Y146 HydrophobicContact CB-CE1 4.08Å; P144-Y146 HydrophobicContact CB-CE2 3.59Å; P144-Y146 HydrophobicContact CG-CE2 3.67Å; P144-Y146 PolarHBondContact O-N 3.35Å; P144-E181 HydrophobicContact CG-CB 3.81Å; P144-E181 HydrophobicContact CG-CG 4.3Å
145Y83.1Confident85.4Confident63 Ų6361.3 Ų61.325%0.24729%0.294CS..  trans-77.2106.1176-173.7-91.4000109.4E147 F403 R405 D406 R408Y145-E147 HydrophobicContact CD1-CB 4.43Å; Y145-E147 HydrophobicContact CE1-CB 3.71Å; Y145-E147 HydrophobicContact CE2-CB 4.02Å; Y145-E147 WeakPolarHBondContact CE2-OE2 3.01Å; Y145-E147 VanDerWaalsContact CZ-CB 3.47Å; Y145-E147 WeakPolarHBondContact OH-CB 3.34Å; Y145-E147 VanDerWaalsContact OH-CD 3.29Å; Y145-E147 PolarHBondContact OH-OE2 2.98Å; Y145-F403 CarbonylContact C-O 3.59Å; Y145-F403 HydrophobicContact CD1-CB 4.32Å; Y145-F403 HydrophobicContact CE1-CB 3.73Å; Y145-R405 VanDerWaalsContact CE1-O 3.26Å; Y145-R405 WeakPolarHBondContact CE1-O 3.1Å; Y145-D406 HydrophobicContact CD2-CB 4.32Å; Y145-D406 VanDerWaalsContact CE1-CA 3.44Å; Y145-D406 HydrophobicContact CE1-CB 4.14Å; Y145-D406 HydrophobicContact CE2-CB 3.95Å; Y145-R408 PolarHBondContact OH-NH2 3.13Å
146Y91Very high85.6Confident26 Ų2660.8 Ų60.810%0.10229%0.294CS..  trans-127.151.8174.7-59.2-46.9000110.3P144 T148 A183 F185 L253 V402 F403 L404P144-Y146 HydrophobicContact CB-CD2 4.18Å; P144-Y146 HydrophobicContact CB-CE1 4.08Å; P144-Y146 HydrophobicContact CB-CE2 3.59Å; P144-Y146 HydrophobicContact CG-CE2 3.67Å; P144-Y146 PolarHBondContact O-N 3.35Å; Y146-T148 WeakPolarHBondContact O-CG2 3.48Å; Y146-T148 PolarHBondContact O-N 3.26Å; Y146-A183 HydrophobicContact CD2-CB 3.67Å; Y146-A183 HydrophobicContact CE2-CB 3.56Å; Y146-A183 HydrophobicContact CG-CB 4.4Å; Y146-F185 HydrophobicContact CG-CZ 4.36Å; Y146-L253 HydrophobicContact CD1-CD1 4.27Å; Y146-L253 HydrophobicContact CE1-CD1 3.78Å; Y146-L253 HydrophobicContact CE1-CD2 4.49Å; Y146-V402 HydrophobicContact CD1-CG1 4.45Å; Y146-F403 WeakPolarHBondContact CA-O 3.4Å; Y146-L404 HydrophobicContact CD1-CD2 3.95Å; Y146-L404 HydrophobicContact CE1-CD2 3.85Å
147E92.4Very high86Confident39 Ų3964.4 Ų64.418%0.18231%0.306CS..EExtended strand (participates in β ladder)trans-63.8131174.9-167.5166.9156.300108.9Y145 T377 F403 R408Y145-E147 HydrophobicContact CD1-CB 4.43Å; Y145-E147 HydrophobicContact CE1-CB 3.71Å; Y145-E147 HydrophobicContact CE2-CB 4.02Å; Y145-E147 WeakPolarHBondContact CE2-OE2 3.01Å; Y145-E147 VanDerWaalsContact CZ-CB 3.47Å; Y145-E147 WeakPolarHBondContact OH-CB 3.34Å; Y145-E147 VanDerWaalsContact OH-CD 3.29Å; Y145-E147 PolarHBondContact OH-OE2 2.98Å; E147-T377 PolarHBondContact OE1-OG1 2.58Å; E147-F403 WeakPolarHBondContact O-CB 3.49Å; E147-F403 WeakPolarHBondContact O-CD2 3.19Å; E147-F403 PolarHBondContact O-N 2.96Å; E147-R408 IonicContact OE2-NH2 2.85Å
148T95.1Very high86.6Confident12 Ų1271.7 Ų71.77%0.07432%0.323CS..EExtended strand (participates in β ladder)trans-120.5132.6-173.958.90000111.7Y146 I166 F185 V401 V402Y146-T148 WeakPolarHBondContact O-CG2 3.48Å; Y146-T148 PolarHBondContact O-N 3.26Å; T148-I166 HydrophobicContact CG2-CG2 3.94Å; T148-F185 HydrophobicContact CG2-CD1 4.17Å; T148-F185 HydrophobicContact CG2-CE1 3.59Å; T148-F185 HydrophobicContact CG2-CZ 4.33Å; T148-V401 CarbonylContact C-O 3.39Å; T148-V401 VanDerWaalsContact CA-O 3.25Å; T148-V401 WeakPolarHBondContact CA-O 3.23Å; T148-V402 HydrophobicContact CG2-CB 4.42Å; T148-V402 HydrophobicContact CG2-CG1 4.22Å; T148-V402 HydrophobicContact CG2-CG2 4.09Å
149S97.6Very high87.9Confident4 Ų475.7 Ų75.73%0.02834%0.34CS..EExtended strand (participates in β ladder)trans-102.1133.9162.1-168.70000108.7T377 T378 V380 A381 I400 V401S149-T377 WeakPolarHBondContact CB-O 3.41Å; S149-T377 PolarHBondContact OG-O 2.96Å; S149-T378 PolarHBondContact OG-O 2.95Å; S149-V380 PolarHBondContact OG-N 3Å; S149-A381 WeakPolarHBondContact OG-CB 3.45Å; S149-A381 PolarHBondContact OG-N 2.79Å; S149-I400 CarbonylContact O-C 3.49Å; S149-I400 WeakPolarHBondContact O-CA 3.25Å; S149-V401 PolarHBondContact N-O 3.1Å; S149-V401 PolarHBondContact O-N 3.29Å
150I97.4Very high89.2Confident20 Ų2067 Ų6710%0.10331%0.31CS..EExtended strand (participates in β ladder)trans-137.9134.2-179.7174.653.1000109.5I166 T398 V399 I400I150-I166 HydrophobicContact CB-CD1 3.78Å; I150-I166 HydrophobicContact CG1-CD1 4.05Å; I150-I166 HydrophobicContact CG2-CD1 3.79Å; I150-T398 HydrophobicContact CD1-CG2 4.16Å; I150-V399 WeakPolarHBondContact CA-O 3.36Å; I150-V399 WeakPolarHBondContact CD1-O 3.48Å; I150-I400 HydrophobicContact CD1-CB 4.34Å; I150-I400 HydrophobicContact CD1-CG1 3.44Å; I150-I400 VanDerWaalsContact CD1-CG1 3.44Å; I150-I400 HydrophobicContact CG1-CG1 4.3Å
151H98.3Very high90.7Very high34 Ų3464.1 Ų64.116%0.15730%0.301CS..EExtended strand (participates in β ladder)trans-142.6131.2168.1-159.746.3000110.4A381 H382 V385 V399H151-A381 HydrophobicContact CB-CB 3.88Å; H151-H382 AromaticContact CD2-CD2 3.86Å; H151-H382 AromaticContact CE1-CD2 3.96Å; H151-H382 AromaticContact NE2-CD2 3.5Å; H151-V385 HydrophobicContact CB-CG2 3.91Å; H151-V399 PolarHBondContact N-O 2.75Å; H151-V399 PolarHBondContact O-N 3.42Å
152A97.8Very high92.2Very high25 Ų2560.6 Ų60.621%0.20729%0.287CS..EExtended strand (participates in β ladder)trans-135.8125.8-176.400000108.9M160 I397 T398A152-M160 HydrophobicContact CB-CE 3.65Å; A152-I397 CarbonylContact C-O 3.57Å; A152-I397 VanDerWaalsContact CA-O 3.25Å; A152-I397 WeakPolarHBondContact CA-O 3.48Å; A152-T398 HydrophobicContact CB-CG2 4.03Å
153I97.9Very high93.6Very high33 Ų3355.7 Ų55.717%0.16925%0.254CS..EExtended strand (participates in β ladder)trans-136.3146.2-177.962.6164.6000111.9N155 M160 V385 R389 N396 I397I153-N155 HydrophobicContact CD1-CB 3.85Å; I153-N155 HydrophobicContact CG1-CB 4.15Å; I153-N155 PolarHBondContact O-N 2.74Å; I153-M160 VanDerWaalsContact O-SD 3.38Å; I153-V385 HydrophobicContact CD1-CG1 3.38Å; I153-V385 HydrophobicContact CG1-CG1 3.67Å; I153-V385 HydrophobicContact CG2-CG1 4.41Å; I153-R389 HydrophobicContact CD1-CG 4.05Å; I153-N396 WeakPolarHBondContact O-CA 3.47Å; I153-I397 HydrophobicContact CD1-CD1 4.38Å; I153-I397 HydrophobicContact CG1-CB 4Å; I153-I397 HydrophobicContact CG1-CG1 4.41Å; I153-I397 PolarHBondContact N-O 2.79Å; I153-I397 PolarHBondContact O-N 2.97Å
154K96.9Very high95Very high92 Ų9254.7 Ų54.740%0.425%0.249SC..  trans-64.3-31.9170.8-169.3178.676.9170.90113M156 R157 R158 K159 M160 N396K154-M156 PolarHBondContact O-N 2.63Å; K154-R157 VanDerWaalsContact CD-O 3.3Å; K154-R157 WeakPolarHBondContact CD-O 3.37Å; K154-R157 WeakPolarHBondContact CE-O 3.49Å; K154-R157 HydrophobicContact CG-CB 4.43Å; K154-R157 VanDerWaalsContact CG-O 3.31Å; K154-R157 WeakPolarHBondContact CG-O 3.39Å; K154-R157 PolarHBondContact O-N 3.28Å; K154-R158 WeakPolarHBondContact CD-O 3.44Å; K154-R158 PolarHBondContact NZ-O 3.27Å; K154-K159 WeakPolarHBondContact CG-O 3.38Å; K154-M160 HydrophobicContact CB-CB 4.2Å; K154-M160 HydrophobicContact CB-SD 4.47Å; K154-M160 HydrophobicContact CG-CB 4.32Å; K154-N396 WeakPolarHBondContact CA-ND2 3.5Å; K154-N396 PolarHBondContact O-ND2 3Å
155N96.4Very high96Very high39 Ų3953.1 Ų53.121%0.20924%0.239CC..THydrogen-bonded Turntrans51.6-123.6-173.5-170.130.5000111.7I153 R389 S393 D395 I397I153-N155 HydrophobicContact CD1-CB 3.85Å; I153-N155 HydrophobicContact CG1-CB 4.15Å; I153-N155 PolarHBondContact O-N 2.74Å; N155-R389 PolarHBondContact OD1-NE 3.49Å; N155-S393 PolarHBondContact ND2-O 2.97Å; N155-D395 WeakPolarHBondContact CB-O 3.34Å; N155-D395 PolarHBondContact ND2-O 3.39Å; N155-I397 HydrophobicContact CB-CG1 4.44Å
156M96Very high96.6Very high144 Ų14451 Ų5171%0.70923%0.232SC*.THydrogen-bonded Turntrans-88.1-6.2-175.9-59.7-173.470.300114K154K154-M156 PolarHBondContact O-N 2.63Å
157R96.2Very high96.9Very high98 Ų9850.2 Ų50.237%0.3723%0.229SC..SBendtrans-73.2159.9179-63-62.4-166.287.5-10.6111.4K154 K159 D395 N396K154-R157 VanDerWaalsContact CD-O 3.3Å; K154-R157 WeakPolarHBondContact CD-O 3.37Å; K154-R157 WeakPolarHBondContact CE-O 3.49Å; K154-R157 HydrophobicContact CG-CB 4.43Å; K154-R157 VanDerWaalsContact CG-O 3.31Å; K154-R157 WeakPolarHBondContact CG-O 3.39Å; K154-R157 PolarHBondContact O-N 3.28Å; R157-K159 WeakPolarHBondContact CB-O 3.49Å; R157-D395 IonicContact CZ-OD1 3.82Å; R157-D395 IonicContact CZ-OD2 3.49Å; R157-D395 VanDerWaalsContact CZ-OD2 3.29Å; R157-D395 IonicContact NE-OD1 3.51Å; R157-D395 PolarHBondContact NE-OD1 3.41Å; R157-D395 IonicContact NE-OD2 4Å; R157-D395 IonicContact NH1-OD1 2.61Å; R157-D395 PolarHBondContact NH1-OD1 3.25Å; R157-D395 IonicContact NH1-OD2 3.73Å; R157-D395 IonicContact NH2-OD1 3.29Å; R157-D395 PolarHBondContact NH2-OD1 3.41Å; R157-D395 IonicContact NH2-OD2 2.82Å; R157-D395 PolarHBondContact NH2-OD2 3.07Å; R157-N396 VanDerWaalsContact CB-ND2 3.34Å; R157-N396 WeakPolarHBondContact CB-ND2 3.39Å
158R94.9Very high96.9Very high233 Ų23349.2 Ų49.288%0.87923%0.226SC*.SBendtrans-73.8-36.7178.5-68.3-177.3-179.8176.10.8112.3K154K154-R158 WeakPolarHBondContact CD-O 3.44Å; K154-R158 PolarHBondContact NZ-O 3.27Å
159K95.6Very high96.7Very high122 Ų12248.7 Ų48.753%0.5322%0.223SC..SBendtrans-124.6154.8-179.4-64.1-175.6177.7-176.40110.2K154 R157 E161 N396K154-K159 WeakPolarHBondContact CG-O 3.38Å; R157-K159 WeakPolarHBondContact CB-O 3.49Å; K159-E161 HydrophobicContact CB-CG 3.99Å; K159-N396 PolarHBondContact O-ND2 3.06Å; K159-N396 PolarHBondContact O-OD1 2.98Å
160M97.1Very high96.6Very high50 Ų5048.5 Ų48.525%0.24622%0.221CC..  trans-94.8101167.7-178.362.8174.400107.4A152 I153 K154 D162 N396 T398A152-M160 HydrophobicContact CB-CE 3.65Å; I153-M160 VanDerWaalsContact O-SD 3.38Å; K154-M160 HydrophobicContact CB-CB 4.2Å; K154-M160 HydrophobicContact CB-SD 4.47Å; K154-M160 HydrophobicContact CG-CB 4.32Å; M160-D162 HydrophobicContact CE-CB 3.63Å; M160-D162 HydrophobicContact SD-CB 4.3Å; M160-N396 WeakPolarHBondContact CA-OD1 3.03Å; M160-N396 HydrophobicContact SD-CB 3.98Å; M160-T398 WeakPolarHBondContact CE-OG1 3.25Å
161E98.1Very high96.5Very high29 Ų2947.7 Ų47.714%0.13622%0.217CC..  trans-96.9-16.6-177.1-57.1-168.6136.300112K159 G190 G193 A197 N396K159-E161 HydrophobicContact CB-CG 3.99Å; E161-G190 WeakPolarHBondContact CB-O 3.34Å; E161-G190 PolarHBondContact O-N 3.13Å; E161-G193 VanDerWaalsContact OE1-CA 3.25Å; E161-G193 WeakPolarHBondContact OE1-CA 3.29Å; E161-G193 PolarHBondContact OE1-N 2.83Å; E161-G193 VanDerWaalsContact OE1-N 3.1Å; E161-A197 VanDerWaalsContact O-CB 3.27Å; E161-A197 WeakPolarHBondContact O-CB 3.32Å; E161-N396 PolarHBondContact N-OD1 2.93Å
162D98.6Very high96.3Very high2 Ų247.1 Ų47.11%0.01122%0.216CC..  trans-66.5146.9171.3-64.85.6000113.2M160 F188 C350 N396 T398M160-D162 HydrophobicContact CE-CB 3.63Å; M160-D162 HydrophobicContact SD-CB 4.3Å; D162-F188 CarbonylContact C-O 3.58Å; D162-F188 VanDerWaalsContact CA-O 3.27Å; D162-F188 WeakPolarHBondContact CA-O 3.28Å; D162-C350 PolarHBondContact OD2-SG 2.94Å; D162-N396 WeakPolarHBondContact OD1-CB 3.47Å; D162-T398 WeakPolarHBondContact CB-OG1 3.45Å; D162-T398 VanDerWaalsContact OD2-CB 3.31Å; D162-T398 WeakPolarHBondContact OD2-CB 3.41Å; D162-T398 PolarHBondContact OD2-N 3.26Å; D162-T398 PolarHBondContact OD2-OG1 3.39Å
163K98.4Very high96.2Very high15 Ų1546 Ų467%0.06521%0.207CC..EExtended strand (participates in β ladder)trans-134.4159.7167.3-63.4-66.9163.1175.50111.4F188 A197 I198 A201 A450K163-F188 HydrophobicContact CB-CB 4.4Å; K163-F188 PolarHBondContact N-O 3.26Å; K163-F188 PolarHBondContact O-N 3.1Å; K163-A197 HydrophobicContact CB-CB 4.1Å; K163-A197 HydrophobicContact CG-CB 3.8Å; K163-I198 HydrophobicContact CD-CG1 3.87Å; K163-I198 VanDerWaalsContact CE-CG1 3.44Å; K163-I198 HydrophobicContact CG-CG1 3.81Å; K163-A201 HydrophobicContact CB-CB 4.02Å; K163-A450 PolarHBondContact NZ-O 3.01Å
164H98.4Very high96.1Very high19 Ų1944.8 Ų44.89%0.08820%0.2CC..EExtended strand (participates in β ladder)trans-146.3153.2-179.467.7-87.7000111.1A186 T398 I400 Q447 S449H164-A186 CarbonylContact C-O 3.6Å; H164-A186 VanDerWaalsContact CA-O 3.23Å; H164-A186 WeakPolarHBondContact CA-O 3.37Å; H164-T398 HydrophobicContact CB-CG2 4.02Å; H164-I400 HydrophobicContact CB-CD1 4.16Å; H164-Q447 PolarHBondContact NE2-O 2.8Å; H164-Q447 VanDerWaalsContact NE2-O 3.08Å; H164-S449 PolarHBondContact CE1-OG 3.01Å; H164-S449 PolarHBondContact ND1-OG 2.94Å; H164-S449 VanDerWaalsContact ND1-OG 3.17Å; H164-S449 PolarHBondContact O-OG 3.39Å
165V98.3Very high95.9Very high17 Ų1745 Ų4510%0.10321%0.205CC..EExtended strand (participates in β ladder)trans-132.2133.8179.5179.40000109.2I167 Y184 F185 A186 F188 A201V165-I167 HydrophobicContact CG1-CD1 3.52Å; V165-I167 HydrophobicContact CG1-CG1 3.71Å; V165-Y184 HydrophobicContact CB-CD1 4.38Å; V165-Y184 HydrophobicContact CB-CE1 3.94Å; V165-Y184 HydrophobicContact CG1-CD1 3.81Å; V165-Y184 HydrophobicContact CG1-CE1 3.72Å; V165-F185 CarbonylContact O-C 3.51Å; V165-F185 VanDerWaalsContact O-CA 3.29Å; V165-F185 WeakPolarHBondContact O-CA 3.21Å; V165-A186 HydrophobicContact CB-CB 4.32Å; V165-A186 PolarHBondContact N-O 2.9Å; V165-A186 PolarHBondContact O-N 3.29Å; V165-F188 HydrophobicContact CG2-CE2 3.94Å; V165-A201 HydrophobicContact CG2-CB 3.74Å; V165-A201 WeakPolarHBondContact CG2-O 3.4Å
166I97Very high95.7Very high19 Ų1943.7 Ų43.710%0.09720%0.198CC..EExtended strand (participates in β ladder)trans-133.2104179.2-60.7176.8000107.9T148 I150 F185 I400T148-I166 HydrophobicContact CG2-CG2 3.94Å; I150-I166 HydrophobicContact CB-CD1 3.78Å; I150-I166 HydrophobicContact CG1-CD1 4.05Å; I150-I166 HydrophobicContact CG2-CD1 3.79Å; I166-F185 HydrophobicContact CB-CD1 4.26Å; I166-F185 HydrophobicContact CG1-CD1 4.35Å; I166-F185 HydrophobicContact CG2-CD1 3.79Å; I166-F185 HydrophobicContact CG2-CE1 3.72Å; I166-I400 HydrophobicContact CD1-CG1 4.39Å; I166-I400 HydrophobicContact CD1-CG2 4.32Å; I166-I400 HydrophobicContact CG1-CD1 4.12Å
167I96.3Very high95.4Very high9 Ų943 Ų435%0.04619%0.193CC..EExtended strand (participates in β ladder)trans-123.686.2179.7-57.5163.1000107.3V165 D169 F170 L173 A183 Y184 H205V165-I167 HydrophobicContact CG1-CD1 3.52Å; V165-I167 HydrophobicContact CG1-CG1 3.71Å; I167-D169 PolarHBondContact O-N 2.9Å; I167-F170 HydrophobicContact CG2-CB 4.18Å; I167-F170 HydrophobicContact CG2-CD2 4.09Å; I167-L173 HydrophobicContact CD1-CD2 3.69Å; I167-L173 HydrophobicContact CG1-CD2 4Å; I167-L173 HydrophobicContact CG2-CB 4.27Å; I167-L173 HydrophobicContact CG2-CD2 3.69Å; I167-A183 CarbonylContact O-C 3.49Å; I167-A183 VanDerWaalsContact O-CA 3.31Å; I167-A183 WeakPolarHBondContact O-CA 3.45Å; I167-Y184 HydrophobicContact CD1-CD1 3.98Å; I167-Y184 HydrophobicContact CD1-CG 4.5Å; I167-Y184 PolarHBondContact N-O 2.9Å; I167-Y184 PolarHBondContact O-N 2.91Å; I167-H205 HydrophobicContact CD1-CB 4.11Å
168P92.8Very high95Very high17 Ų1745.2 Ų45.211%0.1121%0.213CC..SBendtrans-75.4-14-178.331.2-34.6000113C65 F185C65-P168 HydrophobicContact CB-CG 4.24Å; P168-F185 HydrophobicContact CB-CZ 4.49Å
169D91.5Very high94.7Very high2 Ų235.7 Ų35.71%0.01118%0.178CC..  trans-129.777.1176-172.4-9.7000109.8Q143 I167 N171 T172 L173Q143-D169 VanDerWaalsContact NE2-CB 3.32Å; Q143-D169 PolarHBondContact NE2-OD2 2.95Å; I167-D169 PolarHBondContact O-N 2.9Å; D169-N171 VanDerWaalsContact C-N 3.29Å; D169-T172 VanDerWaalsContact OD1-CB 3.3Å; D169-T172 WeakPolarHBondContact OD1-CB 3.49Å; D169-T172 PolarHBondContact OD1-N 2.81Å; D169-T172 PolarHBondContact OD1-OG1 2.53Å; D169-T172 VanDerWaalsContact OD1-OG1 3.07Å; D169-T172 WeakPolarHBondContact OD2-CB 3.39Å; D169-T172 PolarHBondContact OD2-OG1 3.35Å; D169-L173 PolarHBondContact O-N 2.81Å
170F95.4Very high94.5Very high0 Ų035.5 Ų35.50%018%0.179CC..Hα-helixtrans-67.3-34.5179.9-165.9-89.6000111.1I167 T172 L173 F174 I176 Q182 Y184 H205 L208 F209 F214 F252I167-F170 HydrophobicContact CG2-CB 4.18Å; I167-F170 HydrophobicContact CG2-CD2 4.09Å; F170-T172 PolarHBondContact O-N 3.43Å; F170-L173 PolarHBondContact O-N 2.59Å; F170-F174 AromaticContact CD1-CD2 3.71Å; F170-F174 HydrophobicContact CD1-CD2 3.71Å; F170-F174 HydrophobicContact CD1-CE2 4.35Å; F170-F174 AromaticContact CD2-CD2 3.99Å; F170-F174 HydrophobicContact CD2-CD2 3.99Å; F170-F174 AromaticContact CD2-CE2 3.88Å; F170-F174 HydrophobicContact CD2-CE2 3.88Å; F170-F174 AromaticContact CE1-CD2 3.38Å; F170-F174 HydrophobicContact CE1-CD2 3.38Å; F170-F174 AromaticContact CE1-CE2 3.84Å; F170-F174 HydrophobicContact CE1-CE2 3.84Å; F170-F174 HydrophobicContact CE1-CG 4.14Å; F170-F174 AromaticContact CE2-CD2 3.73Å; F170-F174 HydrophobicContact CE2-CD2 3.73Å; F170-F174 AromaticContact CE2-CE2 3.34Å; F170-F174 HydrophobicContact CE2-CE2 3.34Å; F170-F174 HydrophobicContact CE2-CZ 4.38Å; F170-F174 AromaticContact CG-CD2 4Å; F170-F174 HydrophobicContact CG-CD2 4Å; F170-F174 HydrophobicContact CG-CE2 4.37Å; F170-F174 AromaticContact CZ-CD2 3.4Å; F170-F174 HydrophobicContact CZ-CD2 3.4Å; F170-F174 AromaticContact CZ-CE2 3.3Å; F170-F174 HydrophobicContact CZ-CE2 3.3Å; F170-F174 HydrophobicContact CZ-CG 4.36Å; F170-F174 HydrophobicContact CZ-CZ 4.21Å; F170-F174 PolarHBondContact O-N 2.86Å; F170-I176 HydrophobicContact CD1-CD1 3.82Å; F170-I176 HydrophobicContact CE1-CD1 3.98Å; F170-Q182 HydrophobicContact CB-CB 3.87Å; F170-Q182 VanDerWaalsContact CB-O 3.26Å; F170-Q182 WeakPolarHBondContact CB-O 3.33Å; F170-Q182 HydrophobicContact CD1-CB 4.38Å; F170-Q182 HydrophobicContact CG-CB 4.46Å; F170-Q182 PolarHBondContact N-O 3.26Å; F170-Y184 HydrophobicContact CD2-CG 4.4Å; F170-Y184 HydrophobicContact CE2-CD2 4.31Å; F170-Y184 HydrophobicContact CE2-CG 4.31Å; F170-H205 HydrophobicContact CE2-CB 4.24Å; F170-L208 HydrophobicContact CZ-CD2 4.24Å; F170-F209 HydrophobicContact CE1-CB 4.43Å; F170-F209 HydrophobicContact CZ-CB 4.28Å; F170-F214 HydrophobicContact CD1-CZ 4.26Å; F170-F214 AromaticContact CE1-CE2 3.81Å; F170-F214 HydrophobicContact CE1-CE2 3.81Å; F170-F214 AromaticContact CE1-CZ 3.64Å; F170-F214 HydrophobicContact CE1-CZ 3.64Å; F170-F214 HydrophobicContact CZ-CE2 4.32Å; F170-F252 AromaticContact CD1-CE2 3.97Å; F170-F252 HydrophobicContact CD1-CE2 3.97Å; F170-F252 HydrophobicContact CD1-CZ 4.38Å; F170-F252 HydrophobicContact CD2-CE2 4.12Å; F170-F252 HydrophobicContact CE1-CE2 4.06Å; F170-F252 HydrophobicContact CE1-CZ 4.39Å; F170-F252 HydrophobicContact CE2-CE2 4.16Å; F170-F252 HydrophobicContact CG-CE2 4.01Å; F170-F252 HydrophobicContact CZ-CE2 4.14Å
171N94.4Very high94.3Very high2 Ų234.8 Ų34.81%0.01118%0.175CC..Hα-helixtrans-60-48.1178.7-65.766.3000111.9D169 F174 N175 I176 E180 Q182D169-N171 VanDerWaalsContact C-N 3.29Å; N171-F174 CarbonylContact O-C 3.4Å; N171-F174 PolarHBondContact O-N 2.87Å; N171-N175 CarbonylContact O-C 3.54Å; N171-N175 VanDerWaalsContact O-CA 3.29Å; N171-N175 WeakPolarHBondContact O-CA 3.2Å; N171-N175 PolarHBondContact O-N 2.85Å; N171-I176 HydrophobicContact CB-CB 4.28Å; N171-I176 PolarHBondContact O-N 3.36Å; N171-E180 PolarHBondContact ND2-O 3.47Å; N171-E180 PolarHBondContact OD1-O 3.05Å; N171-Q182 WeakPolarHBondContact OD1-CA 3.45Å; N171-Q182 VanDerWaalsContact OD1-CB 3.3Å; N171-Q182 WeakPolarHBondContact OD1-CB 3.49Å; N171-Q182 PolarHBondContact OD1-N 3.33Å
172T93.4Very high94.2Very high23 Ų2333.5 Ų33.514%0.14117%0.169CC..Hα-helixtrans-66-41178.1-66.20000111.2A69 A70 F138 D169 F170 F174 N175A69-T172 HydrophobicContact CB-CG2 3.9Å; A70-T172 HydrophobicContact CB-CG2 3.62Å; F138-T172 HydrophobicContact CE2-CG2 3.83Å; F138-T172 HydrophobicContact CZ-CG2 4.47Å; D169-T172 VanDerWaalsContact OD1-CB 3.3Å; D169-T172 WeakPolarHBondContact OD1-CB 3.49Å; D169-T172 PolarHBondContact OD1-N 2.81Å; D169-T172 PolarHBondContact OD1-OG1 2.53Å; D169-T172 VanDerWaalsContact OD1-OG1 3.07Å; D169-T172 WeakPolarHBondContact OD2-CB 3.39Å; D169-T172 PolarHBondContact OD2-OG1 3.35Å; F170-T172 PolarHBondContact O-N 3.43Å; T172-F174 PolarHBondContact O-N 2.88Å; T172-N175 PolarHBondContact O-N 2.8Å
173L95.6Very high94.1Very high2 Ų233.4 Ų33.41%0.0117%0.169CC..Hα-helixtrans-63.4-28.3-179.8-171.165.7000112.7L51 L55 A69 A72 R73 I167 D169 F170L51-L173 HydrophobicContact CD1-CG 4.49Å; L51-L173 HydrophobicContact CD2-CD1 3.98Å; L55-L173 HydrophobicContact CD1-CD1 4.16Å; L55-L173 HydrophobicContact CD1-CD2 4.49Å; A69-L173 HydrophobicContact CB-CB 4.17Å; A69-L173 HydrophobicContact CB-CD1 4.22Å; A72-L173 HydrophobicContact CB-CD1 4.21Å; R73-L173 WeakPolarHBondContact CB-O 3.26Å; R73-L173 WeakPolarHBondContact CD-O 3.43Å; I167-L173 HydrophobicContact CD1-CD2 3.69Å; I167-L173 HydrophobicContact CG1-CD2 4Å; I167-L173 HydrophobicContact CG2-CB 4.27Å; I167-L173 HydrophobicContact CG2-CD2 3.69Å; D169-L173 PolarHBondContact O-N 2.81Å; F170-L173 PolarHBondContact O-N 2.59Å
174F96Very high94.1Very high7 Ų732.7 Ų32.73%0.03117%0.165CC..THydrogen-bonded Turntrans-115.913.4180-69.8-75.3000114.1L51 F170 N171 T172 I176 H205 V206 F209L51-F174 HydrophobicContact CD1-CE1 4.17Å; L51-F174 HydrophobicContact CD1-CZ 4.29Å; F170-F174 AromaticContact CD1-CD2 3.71Å; F170-F174 HydrophobicContact CD1-CD2 3.71Å; F170-F174 HydrophobicContact CD1-CE2 4.35Å; F170-F174 AromaticContact CD2-CD2 3.99Å; F170-F174 HydrophobicContact CD2-CD2 3.99Å; F170-F174 AromaticContact CD2-CE2 3.88Å; F170-F174 HydrophobicContact CD2-CE2 3.88Å; F170-F174 AromaticContact CE1-CD2 3.38Å; F170-F174 HydrophobicContact CE1-CD2 3.38Å; F170-F174 AromaticContact CE1-CE2 3.84Å; F170-F174 HydrophobicContact CE1-CE2 3.84Å; F170-F174 HydrophobicContact CE1-CG 4.14Å; F170-F174 AromaticContact CE2-CD2 3.73Å; F170-F174 HydrophobicContact CE2-CD2 3.73Å; F170-F174 AromaticContact CE2-CE2 3.34Å; F170-F174 HydrophobicContact CE2-CE2 3.34Å; F170-F174 HydrophobicContact CE2-CZ 4.38Å; F170-F174 AromaticContact CG-CD2 4Å; F170-F174 HydrophobicContact CG-CD2 4Å; F170-F174 HydrophobicContact CG-CE2 4.37Å; F170-F174 AromaticContact CZ-CD2 3.4Å; F170-F174 HydrophobicContact CZ-CD2 3.4Å; F170-F174 AromaticContact CZ-CE2 3.3Å; F170-F174 HydrophobicContact CZ-CE2 3.3Å; F170-F174 HydrophobicContact CZ-CG 4.36Å; F170-F174 HydrophobicContact CZ-CZ 4.21Å; F170-F174 PolarHBondContact O-N 2.86Å; N171-F174 CarbonylContact O-C 3.4Å; N171-F174 PolarHBondContact O-N 2.87Å; T172-F174 PolarHBondContact O-N 2.88Å; F174-I176 HydrophobicContact CB-CD1 3.97Å; F174-I176 HydrophobicContact CB-CG1 3.99Å; F174-I176 PolarHBondContact O-N 2.92Å; F174-H205 AromaticContact CE2-CD2 3.93Å; F174-H205 AromaticContact CZ-CD2 3.6Å; F174-V206 HydrophobicContact CE1-CG2 4.16Å; F174-V206 HydrophobicContact CZ-CG2 4.06Å; F174-F209 HydrophobicContact CB-CD1 4.37Å; F174-F209 HydrophobicContact CB-CD2 3.7Å; F174-F209 HydrophobicContact CB-CE1 4.43Å; F174-F209 HydrophobicContact CB-CE2 3.78Å; F174-F209 HydrophobicContact CB-CG 4Å; F174-F209 HydrophobicContact CB-CZ 4.14Å; F174-F209 HydrophobicContact CD1-CB 3.75Å; F174-F209 AromaticContact CD1-CD1 3.46Å; F174-F209 HydrophobicContact CD1-CD1 3.46Å; F174-F209 VanDerWaalsContact CD1-CD1 3.46Å; F174-F209 HydrophobicContact CD1-CD2 4.08Å; F174-F209 HydrophobicContact CD1-CE1 4.04Å; F174-F209 AromaticContact CD1-CG 3.46Å; F174-F209 HydrophobicContact CD1-CG 3.46Å; F174-F209 VanDerWaalsContact CD1-CG 3.46Å; F174-F209 HydrophobicContact CD2-CB 4.45Å; F174-F209 HydrophobicContact CE1-CB 3.84Å; F174-F209 HydrophobicContact CE1-CD1 4.03Å; F174-F209 HydrophobicContact CE1-CG 4.04Å; F174-F209 HydrophobicContact CG-CB 4.06Å; F174-F209 HydrophobicContact CG-CD1 4.16Å; F174-F209 AromaticContact CG-CD2 3.94Å; F174-F209 HydrophobicContact CG-CD2 3.94Å; F174-F209 HydrophobicContact CG-CE2 4.45Å; F174-F209 AromaticContact CG-CG 3.77Å; F174-F209 HydrophobicContact CG-CG 3.77Å; F174-F209 HydrophobicContact CZ-CB 4.23Å
175N93.1Very high94.1Very high95 Ų9531.8 Ų31.851%0.50816%0.161SC..THydrogen-bonded Turntrans50.638-178.3-166.827.1000114.2R73 N171 T172 Q177R73-N175 HydrophobicContact CG-CB 4.21Å; N171-N175 CarbonylContact O-C 3.54Å; N171-N175 VanDerWaalsContact O-CA 3.29Å; N171-N175 WeakPolarHBondContact O-CA 3.2Å; N171-N175 PolarHBondContact O-N 2.85Å; T172-N175 PolarHBondContact O-N 2.8Å; N175-Q177 PolarHBondContact O-N 2.82Å; N175-Q177 PolarHBondContact OD1-NE2 3.08Å
176I93.1Very high94.1Very high12 Ų1231 Ų316%0.06216%0.156CC..  trans-81.5117.4179.6-58.5164.2000109.3F170 N171 F174 Q179 F209 F214F170-I176 HydrophobicContact CD1-CD1 3.82Å; F170-I176 HydrophobicContact CE1-CD1 3.98Å; N171-I176 HydrophobicContact CB-CB 4.28Å; N171-I176 PolarHBondContact O-N 3.36Å; F174-I176 HydrophobicContact CB-CD1 3.97Å; F174-I176 HydrophobicContact CB-CG1 3.99Å; F174-I176 PolarHBondContact O-N 2.92Å; I176-Q179 HydrophobicContact CG2-CB 3.69Å; I176-Q179 HydrophobicContact CG2-CG 3.8Å; I176-F209 HydrophobicContact CD1-CD2 4Å; I176-F209 HydrophobicContact CD1-CE2 4Å; I176-F209 HydrophobicContact CG1-CD2 4.27Å; I176-F209 HydrophobicContact CG1-CE2 3.75Å; I176-F214 HydrophobicContact CD1-CE1 3.72Å; I176-F214 HydrophobicContact CD1-CZ 3.72Å
177Q88.6Confident94.2Very high130 Ų13030 Ų3061%0.60715%0.152SC*.  trans-106.9-24.9-174.7-62.6-160.56.200115.3R141 N175R141-Q177 PolarHBondContact NH1-O 3.21Å; R141-Q177 PolarHBondContact NH2-O 3.06Å; N175-Q177 PolarHBondContact O-N 2.82Å; N175-Q177 PolarHBondContact OD1-NE2 3.08Å
178D88.4Confident94.4Very high144 Ų14429.6 Ų29.677%0.7715%0.15SC*.SBendtrans-11116-164.861.4-37.3000113.4
179Q88.7Confident94.6Very high34 Ų3429.4 Ų29.416%0.15915%0.147CC..SBendtrans-126.6165.4176.7-60.8-173.5-13.500111.6I176 Q182 S215I176-Q179 HydrophobicContact CG2-CB 3.69Å; I176-Q179 HydrophobicContact CG2-CG 3.8Å; Q179-Q182 VanDerWaalsContact CB-NE2 3.31Å; Q179-S215 VanDerWaalsContact NE2-CB 3.28Å; Q179-S215 PolarHBondContact NE2-OG 3.35Å
180E92.2Very high95Very high118 Ų11829.4 Ų29.455%0.55115%0.148SC*.  trans-57.6163171.1-61.5-173.5120.500111.6N171 Q182 R254N171-E180 PolarHBondContact ND2-O 3.47Å; N171-E180 PolarHBondContact OD1-O 3.05Å; E180-Q182 WeakPolarHBondContact O-CG 3.28Å; E180-Q182 PolarHBondContact O-N 2.81Å; E180-Q182 PolarHBondContact O-NE2 3.09Å; E180-R254 HydrophobicContact CB-CG 4.18Å
181E91.8Very high95.1Very high35 Ų3531.3 Ų31.316%0.16416%0.157CC..  trans-60.4133.4174-65.4-70.7141.100110R141 P144 G255R141-E181 VanDerWaalsContact CB-OE1 3.3Å; R141-E181 WeakPolarHBondContact CB-OE1 3.48Å; P144-E181 HydrophobicContact CG-CB 3.81Å; P144-E181 HydrophobicContact CG-CG 4.3Å; E181-G255 PolarHBondContact O-N 2.91Å
182Q95.4Very high95.2Very high1 Ų134.4 Ų34.41%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-131143.1-173.3-69.6161.984.500111.8F170 N171 Q179 E180 F214 F252 L253 R254F170-Q182 HydrophobicContact CB-CB 3.87Å; F170-Q182 VanDerWaalsContact CB-O 3.26Å; F170-Q182 WeakPolarHBondContact CB-O 3.33Å; F170-Q182 HydrophobicContact CD1-CB 4.38Å; F170-Q182 HydrophobicContact CG-CB 4.46Å; F170-Q182 PolarHBondContact N-O 3.26Å; N171-Q182 WeakPolarHBondContact OD1-CA 3.45Å; N171-Q182 VanDerWaalsContact OD1-CB 3.3Å; N171-Q182 WeakPolarHBondContact OD1-CB 3.49Å; N171-Q182 PolarHBondContact OD1-N 3.33Å; Q179-Q182 VanDerWaalsContact CB-NE2 3.31Å; E180-Q182 WeakPolarHBondContact O-CG 3.28Å; E180-Q182 PolarHBondContact O-N 2.81Å; E180-Q182 PolarHBondContact O-NE2 3.09Å; Q182-F214 VanDerWaalsContact OE1-CZ 3.23Å; Q182-F252 HydrophobicContact CB-CE2 4.29Å; Q182-F252 HydrophobicContact CB-CZ 4.16Å; Q182-F252 HydrophobicContact CG-CZ 4.07Å; Q182-L253 WeakPolarHBondContact CA-O 3.44Å; Q182-L253 WeakPolarHBondContact CB-O 3.45Å; Q182-R254 HydrophobicContact CG-CB 3.9Å; Q182-R254 HydrophobicContact CG-CG 3.83Å
183A97Very high95.3Very high0 Ų033.8 Ų33.80%019%0.187CC..EExtended strand (participates in β ladder)trans-139.6148.2175.500000110.6Y146 I167 F185 F252 L253Y146-A183 HydrophobicContact CD2-CB 3.67Å; Y146-A183 HydrophobicContact CE2-CB 3.56Å; Y146-A183 HydrophobicContact CG-CB 4.4Å; I167-A183 CarbonylContact O-C 3.49Å; I167-A183 VanDerWaalsContact O-CA 3.31Å; I167-A183 WeakPolarHBondContact O-CA 3.45Å; A183-F185 HydrophobicContact CB-CE2 3.63Å; A183-F185 HydrophobicContact CB-CZ 3.84Å; A183-F252 CarbonylContact O-C 3.58Å; A183-F252 WeakPolarHBondContact O-CA 3.35Å; A183-F252 WeakPolarHBondContact O-CD2 3.15Å; A183-L253 HydrophobicContact CB-CB 4.37Å; A183-L253 HydrophobicContact CB-CD1 4.34Å; A183-L253 PolarHBondContact N-O 3.31Å; A183-L253 VanDerWaalsContact N-O 3.08Å; A183-L253 PolarHBondContact O-N 3.28Å
184Y98.4Very high95.3Very high0 Ų034.5 Ų34.50%019%0.191CC..EExtended strand (participates in β ladder)trans-131.4128.2-177.1175.7-77000109.7V165 I167 F170 A186 L204 H205 L208 V250 T251 F252V165-Y184 HydrophobicContact CB-CD1 4.38Å; V165-Y184 HydrophobicContact CB-CE1 3.94Å; V165-Y184 HydrophobicContact CG1-CD1 3.81Å; V165-Y184 HydrophobicContact CG1-CE1 3.72Å; I167-Y184 HydrophobicContact CD1-CD1 3.98Å; I167-Y184 HydrophobicContact CD1-CG 4.5Å; I167-Y184 PolarHBondContact N-O 2.9Å; I167-Y184 PolarHBondContact O-N 2.91Å; F170-Y184 HydrophobicContact CD2-CG 4.4Å; F170-Y184 HydrophobicContact CE2-CD2 4.31Å; F170-Y184 HydrophobicContact CE2-CG 4.31Å; Y184-A186 HydrophobicContact CE1-CB 3.64Å; Y184-L204 HydrophobicContact CE2-CD2 4.14Å; Y184-L204 VanDerWaalsContact OH-CD2 3.26Å; Y184-L204 WeakPolarHBondContact OH-CD2 3.47Å; Y184-H205 HydrophobicContact CD1-CB 4.2Å; Y184-H205 HydrophobicContact CD2-CB 4.24Å; Y184-H205 HydrophobicContact CE1-CB 3.95Å; Y184-H205 HydrophobicContact CE2-CB 3.96Å; Y184-H205 HydrophobicContact CG-CB 4.36Å; Y184-L208 HydrophobicContact CD2-CD2 4Å; Y184-L208 HydrophobicContact CE2-CD2 4.17Å; Y184-V250 HydrophobicContact CD2-CG1 3.78Å; Y184-V250 HydrophobicContact CE2-CB 4.41Å; Y184-V250 HydrophobicContact CE2-CG1 3.28Å; Y184-V250 HydrophobicContact CE2-CG2 4.23Å; Y184-V250 WeakPolarHBondContact OH-CG2 3.46Å; Y184-T251 WeakPolarHBondContact CA-O 3.44Å; Y184-F252 HydrophobicContact CD2-CD2 4.14Å
185F98.8Very high95.4Very high0 Ų036.2 Ų36.20%020%0.201CC..EExtended strand (participates in β ladder)trans-135.1136.5174.8-45.9-88000110Y146 T148 V165 I166 P168 A183 V250 T251 L253 L348 V402Y146-F185 HydrophobicContact CG-CZ 4.36Å; T148-F185 HydrophobicContact CG2-CD1 4.17Å; T148-F185 HydrophobicContact CG2-CE1 3.59Å; T148-F185 HydrophobicContact CG2-CZ 4.33Å; V165-F185 CarbonylContact O-C 3.51Å; V165-F185 VanDerWaalsContact O-CA 3.29Å; V165-F185 WeakPolarHBondContact O-CA 3.21Å; I166-F185 HydrophobicContact CB-CD1 4.26Å; I166-F185 HydrophobicContact CG1-CD1 4.35Å; I166-F185 HydrophobicContact CG2-CD1 3.79Å; I166-F185 HydrophobicContact CG2-CE1 3.72Å; P168-F185 HydrophobicContact CB-CZ 4.49Å; A183-F185 HydrophobicContact CB-CE2 3.63Å; A183-F185 HydrophobicContact CB-CZ 3.84Å; F185-V250 WeakPolarHBondContact O-CA 3.24Å; F185-T251 WeakPolarHBondContact CB-OG1 3.49Å; F185-T251 PolarHBondContact N-O 3.14Å; F185-T251 PolarHBondContact O-N 3.31Å; F185-T251 PolarHBondContact O-OG1 2.98Å; F185-L253 HydrophobicContact CD2-CD1 4.32Å; F185-L253 HydrophobicContact CE2-CD1 3.79Å; F185-L348 HydrophobicContact CB-CD2 4.2Å; F185-L348 WeakPolarHBondContact O-CD2 3.43Å; F185-V402 HydrophobicContact CB-CG2 4.24Å; F185-V402 HydrophobicContact CD1-CG2 3.78Å; F185-V402 HydrophobicContact CD2-CG1 4.19Å; F185-V402 HydrophobicContact CD2-CG2 3.91Å; F185-V402 HydrophobicContact CE1-CG1 4.17Å; F185-V402 HydrophobicContact CE1-CG2 4.09Å; F185-V402 HydrophobicContact CE2-CG1 3.68Å; F185-V402 HydrophobicContact CE2-CG2 4.21Å; F185-V402 HydrophobicContact CG-CG2 3.69Å; F185-V402 HydrophobicContact CZ-CG1 3.68Å; F185-V402 HydrophobicContact CZ-CG2 4.3Å
186A98.9Very high95.7Very high0 Ų031.7 Ų31.70%018%0.177CC..EExtended strand (participates in β ladder)trans-146.1150.3-177.800000113.4H164 V165 Y184 F188 V249 V250 I400H164-A186 CarbonylContact C-O 3.6Å; H164-A186 VanDerWaalsContact CA-O 3.23Å; H164-A186 WeakPolarHBondContact CA-O 3.37Å; V165-A186 HydrophobicContact CB-CB 4.32Å; V165-A186 PolarHBondContact N-O 2.9Å; V165-A186 PolarHBondContact O-N 3.29Å; Y184-A186 HydrophobicContact CE1-CB 3.64Å; A186-F188 HydrophobicContact CB-CD2 4.41Å; A186-F188 HydrophobicContact CB-CE2 3.6Å; A186-F188 HydrophobicContact CB-CZ 3.67Å; A186-V249 WeakPolarHBondContact CA-O 3.29Å; A186-V249 WeakPolarHBondContact CB-O 3.42Å; A186-V250 HydrophobicContact CB-CG2 3.86Å; A186-I400 WeakPolarHBondContact O-CD1 3.44Å
187V98.9Very high95.9Very high0 Ų031.1 Ų31.10%017%0.174CC..EExtended strand (participates in β ladder)trans-123.2134.8167176.90000108.1G248 V249 L348 C350 T398 I400V187-G248 WeakPolarHBondContact O-CA 3.48Å; V187-V249 HydrophobicContact CB-CG1 4.01Å; V187-V249 PolarHBondContact N-O 3.25Å; V187-V249 PolarHBondContact O-N 2.9Å; V187-L348 HydrophobicContact CG2-CB 3.88Å; V187-C350 HydrophobicContact CG1-CB 4.22Å; V187-T398 HydrophobicContact CG1-CG2 4.1Å; V187-T398 HydrophobicContact CG2-CG2 4.22Å; V187-I400 HydrophobicContact CG2-CD1 3.77Å; V187-I400 HydrophobicContact CG2-CG1 4.14Å
188F98.9Very high96.4Very high0 Ų026.3 Ų26.30%015%0.152CC..EExtended strand (participates in β ladder)trans-125.8110.2178-57.8-73.8000108.1D162 K163 V165 A186 A197 A200 A201 L204 T247D162-F188 CarbonylContact C-O 3.58Å; D162-F188 VanDerWaalsContact CA-O 3.27Å; D162-F188 WeakPolarHBondContact CA-O 3.28Å; K163-F188 HydrophobicContact CB-CB 4.4Å; K163-F188 PolarHBondContact N-O 3.26Å; K163-F188 PolarHBondContact O-N 3.1Å; V165-F188 HydrophobicContact CG2-CE2 3.94Å; A186-F188 HydrophobicContact CB-CD2 4.41Å; A186-F188 HydrophobicContact CB-CE2 3.6Å; A186-F188 HydrophobicContact CB-CZ 3.67Å; F188-A197 HydrophobicContact CB-CB 4.09Å; F188-A200 HydrophobicContact CD1-CB 3.53Å; F188-A200 HydrophobicContact CD2-CB 4.41Å; F188-A200 HydrophobicContact CE1-CB 3.6Å; F188-A200 HydrophobicContact CE2-CB 4.45Å; F188-A200 HydrophobicContact CG-CB 3.97Å; F188-A200 HydrophobicContact CZ-CB 4.06Å; F188-A201 HydrophobicContact CD2-CB 4.02Å; F188-A201 HydrophobicContact CE2-CB 4.15Å; F188-L204 HydrophobicContact CE1-CD1 4.03Å; F188-L204 HydrophobicContact CZ-CB 4.4Å; F188-L204 HydrophobicContact CZ-CD1 4.3Å; F188-T247 WeakPolarHBondContact CA-O 3.38Å; F188-T247 WeakPolarHBondContact CD1-O 3.19Å
189D98.8Very high96.9Very high12 Ų1219.7 Ų19.76%0.06412%0.116CC..  trans-90.7116.6176-172.6-25000108.3T246 T247 C350 D351D189-T246 VanDerWaalsContact C-OG1 3.22Å; D189-T246 CarbonylContact O-C 3.43Å; D189-T246 WeakPolarHBondContact O-CA 3.48Å; D189-T246 WeakPolarHBondContact O-CB 3.32Å; D189-T246 PolarHBondContact O-OG1 3.2Å; D189-T247 HydrophobicContact CB-CG2 4.28Å; D189-T247 WeakPolarHBondContact CB-OG1 3.43Å; D189-T247 PolarHBondContact N-OG1 2.88Å; D189-T247 PolarHBondContact O-N 3.3Å; D189-C350 HydrophobicContact CB-CB 3.95Å; D189-C350 WeakPolarHBondContact OD2-CB 3.36Å; D189-D351 VanDerWaalsContact OD2-OD1 3.08Å
190G98.6Very high97.4Very high2 Ų218 Ų182%0.02111%0.109CC..EExtended strand (participates in β ladder)trans-94.8142.6-175.100000111.9E161E161-G190 WeakPolarHBondContact CB-O 3.34Å; E161-G190 PolarHBondContact O-N 3.13Å
191H97.8Very high97.7Very high41 Ų4112.9 Ų12.919%0.199%0.086CC..EExtended strand (participates in β ladder)trans-136.1146174.659.4-100.8000112.2G193 C244 G245 D321H191-G193 PolarHBondContact O-N 3.4Å; H191-C244 VanDerWaalsContact O-CA 3.23Å; H191-C244 WeakPolarHBondContact O-CA 3.27Å; H191-C244 VanDerWaalsContact O-CB 3.25Å; H191-C244 WeakPolarHBondContact O-CB 3.45Å; H191-G245 PolarHBondContact N-O 3.46Å; H191-G245 WeakPolarHBondContact NE2-CA 3.22Å; H191-G245 PolarHBondContact O-N 3.33Å; H191-D321 IonicContact CD2-OD1 3.49Å; H191-D321 IonicContact CE1-OD2 3.28Å; H191-D321 PolarHBondContact CE1-OD2 2.93Å; H191-D321 VanDerWaalsContact CE1-OD2 3.25Å; H191-D321 IonicContact NE2-OD1 2.63Å; H191-D321 PolarHBondContact NE2-OD1 3.15Å; H191-D321 IonicContact NE2-OD2 3.84Å; H191-D321 PolarHBondContact NE2-OD2 3.39Å
192G96.3Very high98Very high67 Ų6711.5 Ų11.569%0.6918%0.08SC*.SBendtrans70.413.5-17900000113.8C244G192-C244 WeakPolarHBondContact O-CB 3.22Å
193G96.3Very high98.1Very high9 Ų911.6 Ų11.69%0.0938%0.08CC..SBendtrans138157.4-174.500000111.5E161 H191 C244E161-G193 VanDerWaalsContact OE1-CA 3.25Å; E161-G193 WeakPolarHBondContact OE1-CA 3.29Å; E161-G193 PolarHBondContact OE1-N 2.83Å; E161-G193 VanDerWaalsContact OE1-N 3.1Å; H191-G193 PolarHBondContact O-N 3.4Å; G193-C244 WeakPolarHBondContact O-CB 3.39Å
194V96.3Very high98.2Very high17 Ų1711.6 Ų11.610%0.1038%0.08CC..SBendtrans-89.1-13.3-17568.40000113.2A196 A197 I198 A452V194-A196 VanDerWaalsContact C-N 3.34Å; V194-A196 PolarHBondContact O-N 2.88Å; V194-A197 PolarHBondContact O-N 3.3Å; V194-I198 HydrophobicContact CB-CD1 4.46Å; V194-I198 HydrophobicContact CG1-CD1 3.96Å; V194-I198 HydrophobicContact CG2-CD1 3.8Å; V194-I198 HydrophobicContact CG2-CG1 3.97Å; V194-I198 PolarHBondContact O-N 3.44Å; V194-A452 HydrophobicContact CG1-CB 4.25Å
195D97.8Very high98.2Very high44 Ų4411.9 Ų11.924%0.2358%0.082CC..Hα-helixtrans-63.8-35.9-168.2-53.3-94.9000113.3I198 Y199 F233 L242D195-I198 PolarHBondContact O-N 3.24Å; D195-Y199 VanDerWaalsContact O-CB 3.28Å; D195-Y199 WeakPolarHBondContact O-CB 3.31Å; D195-Y199 PolarHBondContact O-N 3.07Å; D195-F233 HydrophobicContact CB-CE2 4.4Å; D195-F233 HydrophobicContact CB-CZ 4.42Å; D195-L242 HydrophobicContact CB-CD1 3.77Å
196A98.4Very high98.2Very high0 Ų012.1 Ų12.10%08%0.083CC..Hα-helixtrans-65-44.8176.500000111.8V194 Y199 A200 F233 C244 G245 T246V194-A196 VanDerWaalsContact C-N 3.34Å; V194-A196 PolarHBondContact O-N 2.88Å; A196-Y199 PolarHBondContact O-N 3.29Å; A196-A200 WeakPolarHBondContact O-CB 3.38Å; A196-A200 PolarHBondContact O-N 3.42Å; A196-F233 HydrophobicContact CB-CD1 4.13Å; A196-F233 HydrophobicContact CB-CE1 3.43Å; A196-F233 VanDerWaalsContact CB-CE1 3.43Å; A196-F233 HydrophobicContact CB-CE2 4.26Å; A196-F233 HydrophobicContact CB-CZ 3.52Å; A196-C244 HydrophobicContact CB-CB 4.44Å; A196-G245 VanDerWaalsContact CB-C 3.42Å; A196-T246 HydrophobicContact CB-CG2 3.89Å; A196-T246 WeakPolarHBondContact O-CG2 3.36Å
197A98.7Very high98.2Very high0 Ų012.2 Ų12.20%08%0.083CC..Hα-helixtrans-64.9-39.717800000111.7E161 K163 F188 V194 A200 A201 T246E161-A197 VanDerWaalsContact O-CB 3.27Å; E161-A197 WeakPolarHBondContact O-CB 3.32Å; K163-A197 HydrophobicContact CB-CB 4.1Å; K163-A197 HydrophobicContact CG-CB 3.8Å; F188-A197 HydrophobicContact CB-CB 4.09Å; V194-A197 PolarHBondContact O-N 3.3Å; A197-A200 PolarHBondContact O-N 3.14Å; A197-A201 VanDerWaalsContact O-CB 3.31Å; A197-A201 WeakPolarHBondContact O-CB 3.25Å; A197-A201 PolarHBondContact O-N 3.39Å; A197-T246 WeakPolarHBondContact CB-OG1 3.29Å
198I98.1Very high98.2Very high28 Ų2812.2 Ų12.214%0.1448%0.083CC..Hα-helixtrans-65.6-44.9174.8-70.8176.4000110.8L37 K163 V194 D195 A200 A201 N202L37-I198 HydrophobicContact CD1-CD1 3.1Å; K163-I198 HydrophobicContact CD-CG1 3.87Å; K163-I198 VanDerWaalsContact CE-CG1 3.44Å; K163-I198 HydrophobicContact CG-CG1 3.81Å; V194-I198 HydrophobicContact CB-CD1 4.46Å; V194-I198 HydrophobicContact CG1-CD1 3.96Å; V194-I198 HydrophobicContact CG2-CD1 3.8Å; V194-I198 HydrophobicContact CG2-CG1 3.97Å; V194-I198 PolarHBondContact O-N 3.44Å; D195-I198 PolarHBondContact O-N 3.24Å; I198-A200 VanDerWaalsContact C-N 3.34Å; I198-A200 PolarHBondContact O-N 3.04Å; I198-A201 PolarHBondContact O-N 2.96Å; I198-N202 WeakPolarHBondContact O-CB 3.49Å; I198-N202 VanDerWaalsContact O-CG 3.31Å; I198-N202 PolarHBondContact O-N 3.34Å; I198-N202 PolarHBondContact O-OD1 3.37Å
199Y98.6Very high98.2Very high5 Ų514.8 Ų14.82%0.0210%0.095CC..Hα-helixtrans-60.4-45.9177.9-167.1-91000111.5E45 D195 A196 A201 N202 H203 T229 R232 F233 K236E45-Y199 HydrophobicContact CG-CE2 3.93Å; E45-Y199 WeakPolarHBondContact OE1-CE2 3.25Å; D195-Y199 VanDerWaalsContact O-CB 3.28Å; D195-Y199 WeakPolarHBondContact O-CB 3.31Å; D195-Y199 PolarHBondContact O-N 3.07Å; A196-Y199 PolarHBondContact O-N 3.29Å; Y199-A201 PolarHBondContact O-N 3.19Å; Y199-N202 PolarHBondContact O-N 2.98Å; Y199-H203 HydrophobicContact CD1-CB 4.46Å; Y199-H203 AromaticContact CD1-CD2 4Å; Y199-H203 AromaticContact CD2-CD2 3.37Å; Y199-H203 WeakPolarHBondContact CD2-CD2 3.47Å; Y199-H203 AromaticContact CD2-NE2 3.87Å; Y199-H203 HydrophobicContact CE1-CB 4.13Å; Y199-H203 AromaticContact CE1-CD2 3.98Å; Y199-H203 AromaticContact CE2-CD2 3.33Å; Y199-H203 WeakPolarHBondContact CE2-CD2 3.23Å; Y199-H203 AromaticContact CE2-NE2 3.75Å; Y199-H203 AromaticContact CG-CD2 3.7Å; Y199-H203 AromaticContact CZ-CD2 3.63Å; Y199-H203 AromaticContact CZ-CG 4Å; Y199-H203 WeakPolarHBondContact O-CB 3.4Å; Y199-H203 PolarHBondContact O-CD2 3.26Å; Y199-H203 PolarHBondContact O-N 2.71Å; Y199-T229 HydrophobicContact CD1-CG2 3.95Å; Y199-T229 HydrophobicContact CE1-CG2 4.06Å; Y199-R232 HydrophobicContact CE1-CB 4.09Å; Y199-R232 WeakPolarHBondContact OH-CB 3.18Å; Y199-F233 VanDerWaalsContact CB-CD2 3.48Å; Y199-F233 HydrophobicContact CD1-CB 3.61Å; Y199-F233 AromaticContact CD1-CD2 3.8Å; Y199-F233 HydrophobicContact CD1-CD2 3.8Å; Y199-F233 HydrophobicContact CD1-CG 4.08Å; Y199-F233 AromaticContact CD2-CD2 3.97Å; Y199-F233 HydrophobicContact CD2-CD2 3.97Å; Y199-F233 HydrophobicContact CE1-CB 3.88Å; Y199-F233 HydrophobicContact CG-CB 4.19Å; Y199-F233 AromaticContact CG-CD2 3.45Å; Y199-F233 HydrophobicContact CG-CD2 3.45Å; Y199-F233 VanDerWaalsContact CG-CD2 3.45Å; Y199-F233 HydrophobicContact CG-CE2 4.29Å; Y199-F233 HydrophobicContact CG-CG 4.2Å; Y199-K236 HydrophobicContact CD2-CD 3.56Å; Y199-K236 HydrophobicContact CE2-CD 3.82Å
200A98.8Very high98.1Very high0 Ų019.3 Ų19.30%012%0.115CC..Hα-helixtrans-62.5-42.7176.700000112F188 A196 A197 I198 N202 L204 T229 T246 I319F188-A200 HydrophobicContact CD1-CB 3.53Å; F188-A200 HydrophobicContact CD2-CB 4.41Å; F188-A200 HydrophobicContact CE1-CB 3.6Å; F188-A200 HydrophobicContact CE2-CB 4.45Å; F188-A200 HydrophobicContact CG-CB 3.97Å; F188-A200 HydrophobicContact CZ-CB 4.06Å; A196-A200 WeakPolarHBondContact O-CB 3.38Å; A196-A200 PolarHBondContact O-N 3.42Å; A197-A200 PolarHBondContact O-N 3.14Å; I198-A200 VanDerWaalsContact C-N 3.34Å; I198-A200 PolarHBondContact O-N 3.04Å; A200-N202 PolarHBondContact O-N 3Å; A200-L204 WeakPolarHBondContact O-CB 3.16Å; A200-L204 PolarHBondContact O-N 2.92Å; A200-T229 HydrophobicContact CB-CG2 4.5Å; A200-T246 HydrophobicContact CB-CG2 4.01Å; A200-I319 HydrophobicContact CB-CD1 3.95Å
201A98.6Very high98.1Very high9 Ų920.7 Ų20.77%0.07412%0.121CC..Hα-helixtrans-60.6-43.1176.700000112.6K163 V165 F188 A197 I198 Y199 H205K163-A201 HydrophobicContact CB-CB 4.02Å; V165-A201 HydrophobicContact CG2-CB 3.74Å; V165-A201 WeakPolarHBondContact CG2-O 3.4Å; F188-A201 HydrophobicContact CD2-CB 4.02Å; F188-A201 HydrophobicContact CE2-CB 4.15Å; A197-A201 VanDerWaalsContact O-CB 3.31Å; A197-A201 WeakPolarHBondContact O-CB 3.25Å; A197-A201 PolarHBondContact O-N 3.39Å; I198-A201 PolarHBondContact O-N 2.96Å; Y199-A201 PolarHBondContact O-N 3.19Å; A201-H205 PolarHBondContact O-CE1 2.88Å; A201-H205 PolarHBondContact O-ND1 3.29Å
202N98.2Very high98Very high6 Ų628.2 Ų28.23%0.03216%0.156CC..Hα-helixtrans-76.7-33.5-176.7-70.411.5000112.8G48 E49 D52 I198 Y199 A200 H205G48-N202 VanDerWaalsContact CA-O 3.27Å; G48-N202 WeakPolarHBondContact CA-O 3.04Å; E49-N202 PolarHBondContact OE1-ND2 3.31Å; E49-N202 PolarHBondContact OE2-ND2 3.14Å; D52-N202 PolarHBondContact OD2-ND2 3.48Å; D52-N202 PolarHBondContact OD2-OD1 2.84Å; I198-N202 WeakPolarHBondContact O-CB 3.49Å; I198-N202 VanDerWaalsContact O-CG 3.31Å; I198-N202 PolarHBondContact O-N 3.34Å; I198-N202 PolarHBondContact O-OD1 3.37Å; Y199-N202 PolarHBondContact O-N 2.98Å; A200-N202 PolarHBondContact O-N 3Å; N202-H205 PolarHBondContact O-CE1 3.39Å
203H98.7Very high98Very high3 Ų326 Ų261%0.01413%0.13CC..Hα-helixtrans-116.9-23.9-163.6-59.2-63.2000114.9E45 E49 Y199 H205 V206 N207E45-H203 PolarHBondContact O-CE1 3.36Å; E45-H203 VanDerWaalsContact O-CE1 3.31Å; E49-H203 IonicContact OE1-CE1 2.72Å; E49-H203 PolarHBondContact OE1-CE1 3.24Å; E49-H203 IonicContact OE1-NE2 2.72Å; E49-H203 PolarHBondContact OE1-NE2 3.28Å; Y199-H203 HydrophobicContact CD1-CB 4.46Å; Y199-H203 AromaticContact CD1-CD2 4Å; Y199-H203 AromaticContact CD2-CD2 3.37Å; Y199-H203 WeakPolarHBondContact CD2-CD2 3.47Å; Y199-H203 AromaticContact CD2-NE2 3.87Å; Y199-H203 HydrophobicContact CE1-CB 4.13Å; Y199-H203 AromaticContact CE1-CD2 3.98Å; Y199-H203 AromaticContact CE2-CD2 3.33Å; Y199-H203 WeakPolarHBondContact CE2-CD2 3.23Å; Y199-H203 AromaticContact CE2-NE2 3.75Å; Y199-H203 AromaticContact CG-CD2 3.7Å; Y199-H203 AromaticContact CZ-CD2 3.63Å; Y199-H203 AromaticContact CZ-CG 4Å; Y199-H203 WeakPolarHBondContact O-CB 3.4Å; Y199-H203 PolarHBondContact O-CD2 3.26Å; Y199-H203 PolarHBondContact O-N 2.71Å; H203-H205 PolarHBondContact O-N 3.39Å; H203-V206 PolarHBondContact O-N 2.8Å; H203-N207 WeakPolarHBondContact O-CB 3.44Å; H203-N207 PolarHBondContact O-N 3.06Å; H203-N207 PolarHBondContact O-ND2 2.85Å
204L98.8Very high98Very high0 Ų025.9 Ų25.90%013%0.127CC..Hα-helixtrans-65.2-42.9-173-165.7151.9000112.6Y184 F188 A200 V206 N207 L208 F226 T229 V250 I319Y184-L204 HydrophobicContact CE2-CD2 4.14Å; Y184-L204 VanDerWaalsContact OH-CD2 3.26Å; Y184-L204 WeakPolarHBondContact OH-CD2 3.47Å; F188-L204 HydrophobicContact CE1-CD1 4.03Å; F188-L204 HydrophobicContact CZ-CB 4.4Å; F188-L204 HydrophobicContact CZ-CD1 4.3Å; A200-L204 WeakPolarHBondContact O-CB 3.16Å; A200-L204 PolarHBondContact O-N 2.92Å; L204-V206 VanDerWaalsContact C-N 3.3Å; L204-V206 PolarHBondContact O-N 2.98Å; L204-N207 PolarHBondContact O-N 3.46Å; L204-L208 WeakPolarHBondContact O-CB 3.35Å; L204-L208 PolarHBondContact O-N 2.9Å; L204-F226 HydrophobicContact CD1-CD1 3.66Å; L204-F226 HydrophobicContact CD1-CD2 4.03Å; L204-F226 HydrophobicContact CD1-CE1 3.62Å; L204-F226 HydrophobicContact CD1-CE2 3.99Å; L204-F226 HydrophobicContact CD1-CG 3.87Å; L204-F226 HydrophobicContact CD1-CZ 3.8Å; L204-F226 HydrophobicContact CD2-CD2 4.45Å; L204-F226 HydrophobicContact CD2-CE2 4.31Å; L204-T229 HydrophobicContact CB-CG2 4.34Å; L204-V250 HydrophobicContact CD2-CG2 4.08Å; L204-I319 HydrophobicContact CD1-CD1 4.11Å
205H98.7Very high97.9Very high7 Ų727.9 Ų27.93%0.03214%0.142CC..Hα-helixtrans-67.9-30.4178.964.2-77.7000112.6I167 F170 F174 Y184 A201 N202 H203 F209I167-H205 HydrophobicContact CD1-CB 4.11Å; F170-H205 HydrophobicContact CE2-CB 4.24Å; F174-H205 AromaticContact CE2-CD2 3.93Å; F174-H205 AromaticContact CZ-CD2 3.6Å; Y184-H205 HydrophobicContact CD1-CB 4.2Å; Y184-H205 HydrophobicContact CD2-CB 4.24Å; Y184-H205 HydrophobicContact CE1-CB 3.95Å; Y184-H205 HydrophobicContact CE2-CB 3.96Å; Y184-H205 HydrophobicContact CG-CB 4.36Å; A201-H205 PolarHBondContact O-CE1 2.88Å; A201-H205 PolarHBondContact O-ND1 3.29Å; N202-H205 PolarHBondContact O-CE1 3.39Å; H203-H205 PolarHBondContact O-N 3.39Å; H205-F209 PolarHBondContact O-N 3.22Å
206V98.6Very high97.8Very high5 Ų534.1 Ų34.13%0.0317%0.17CC..Hα-helixtrans-71.2-46.9171.7178.70000110.5E47 L51 F174 H203 L204 L208 F209 H210E47-V206 HydrophobicContact CB-CG1 4.27Å; E47-V206 HydrophobicContact CG-CG1 4.05Å; E47-V206 WeakPolarHBondContact OE2-CG1 3.37Å; L51-V206 HydrophobicContact CD1-CG2 3.94Å; F174-V206 HydrophobicContact CE1-CG2 4.16Å; F174-V206 HydrophobicContact CZ-CG2 4.06Å; H203-V206 PolarHBondContact O-N 2.8Å; L204-V206 VanDerWaalsContact C-N 3.3Å; L204-V206 PolarHBondContact O-N 2.98Å; V206-L208 PolarHBondContact O-N 3.04Å; V206-F209 PolarHBondContact O-N 3.16Å; V206-F209 VanDerWaalsContact O-N 3.16Å; V206-H210 PolarHBondContact O-CD2 3.1Å; V206-H210 VanDerWaalsContact O-CD2 3.25Å; V206-H210 PolarHBondContact O-N 3.02Å
207N98.6Very high97.7Very high2 Ų237.4 Ų37.41%0.01119%0.187CC..Hα-helixtrans-59.9-34.6176.4-69.8-23.8000112.1H203 L204 Q211 A225 L228 T229 R232H203-N207 WeakPolarHBondContact O-CB 3.44Å; H203-N207 PolarHBondContact O-N 3.06Å; H203-N207 PolarHBondContact O-ND2 2.85Å; L204-N207 PolarHBondContact O-N 3.46Å; N207-Q211 VanDerWaalsContact O-CG 3.31Å; N207-Q211 WeakPolarHBondContact O-CG 3.33Å; N207-Q211 PolarHBondContact O-N 2.93Å; N207-Q211 PolarHBondContact O-NE2 3.43Å; N207-A225 HydrophobicContact CB-CB 4.14Å; N207-L228 HydrophobicContact CB-CD2 4.24Å; N207-T229 PolarHBondContact ND2-OG1 3.01Å; N207-R232 PolarHBondContact OD1-NH1 3.18Å
208L98.7Very high97.6Very high0 Ų037.8 Ų37.80%019%0.19CC..Hα-helixtrans-61.8-51.9173.1170.162.4000111.7F170 Y184 L204 V206 H210 Q211 F214 A221 L222 A225 F252F170-L208 HydrophobicContact CZ-CD2 4.24Å; Y184-L208 HydrophobicContact CD2-CD2 4Å; Y184-L208 HydrophobicContact CE2-CD2 4.17Å; L204-L208 WeakPolarHBondContact O-CB 3.35Å; L204-L208 PolarHBondContact O-N 2.9Å; V206-L208 PolarHBondContact O-N 3.04Å; L208-H210 VanDerWaalsContact C-N 3.26Å; L208-H210 PolarHBondContact O-N 3.27Å; L208-Q211 PolarHBondContact O-N 3.1Å; L208-F214 HydrophobicContact CD1-CD2 4.01Å; L208-F214 HydrophobicContact CD1-CE2 4.48Å; L208-F214 HydrophobicContact CG-CD2 3.97Å; L208-F214 HydrophobicContact CG-CE2 4.09Å; L208-F214 WeakPolarHBondContact O-CD2 3.41Å; L208-A221 HydrophobicContact CD1-CB 3.81Å; L208-L222 HydrophobicContact CD1-CB 4.47Å; L208-L222 HydrophobicContact CD1-CD2 3.93Å; L208-L222 HydrophobicContact CD1-CG 3.82Å; L208-L222 HydrophobicContact CD2-CD2 3.76Å; L208-L222 HydrophobicContact CD2-CG 4.37Å; L208-L222 HydrophobicContact CG-CD2 4.37Å; L208-A225 HydrophobicContact CB-CB 3.95Å; L208-F252 HydrophobicContact CD2-CD2 3.98Å; L208-F252 HydrophobicContact CD2-CE2 4.02Å; L208-F252 HydrophobicContact CD2-CG 4.38Å; L208-F252 HydrophobicContact CD2-CZ 4.46Å
209F98.1Very high97.5Very high54 Ų5436.5 Ų36.524%0.23718%0.183CC..Hα-helixtrans-58.9-39.2-178.1170.4-109.2000112.3F170 F174 I176 H205 V206 Q211 F214F170-F209 HydrophobicContact CE1-CB 4.43Å; F170-F209 HydrophobicContact CZ-CB 4.28Å; F174-F209 HydrophobicContact CB-CD1 4.37Å; F174-F209 HydrophobicContact CB-CD2 3.7Å; F174-F209 HydrophobicContact CB-CE1 4.43Å; F174-F209 HydrophobicContact CB-CE2 3.78Å; F174-F209 HydrophobicContact CB-CG 4Å; F174-F209 HydrophobicContact CB-CZ 4.14Å; F174-F209 HydrophobicContact CD1-CB 3.75Å; F174-F209 AromaticContact CD1-CD1 3.46Å; F174-F209 HydrophobicContact CD1-CD1 3.46Å; F174-F209 VanDerWaalsContact CD1-CD1 3.46Å; F174-F209 HydrophobicContact CD1-CD2 4.08Å; F174-F209 HydrophobicContact CD1-CE1 4.04Å; F174-F209 AromaticContact CD1-CG 3.46Å; F174-F209 HydrophobicContact CD1-CG 3.46Å; F174-F209 VanDerWaalsContact CD1-CG 3.46Å; F174-F209 HydrophobicContact CD2-CB 4.45Å; F174-F209 HydrophobicContact CE1-CB 3.84Å; F174-F209 HydrophobicContact CE1-CD1 4.03Å; F174-F209 HydrophobicContact CE1-CG 4.04Å; F174-F209 HydrophobicContact CG-CB 4.06Å; F174-F209 HydrophobicContact CG-CD1 4.16Å; F174-F209 AromaticContact CG-CD2 3.94Å; F174-F209 HydrophobicContact CG-CD2 3.94Å; F174-F209 HydrophobicContact CG-CE2 4.45Å; F174-F209 AromaticContact CG-CG 3.77Å; F174-F209 HydrophobicContact CG-CG 3.77Å; F174-F209 HydrophobicContact CZ-CB 4.23Å; I176-F209 HydrophobicContact CD1-CD2 4Å; I176-F209 HydrophobicContact CD1-CE2 4Å; I176-F209 HydrophobicContact CG1-CD2 4.27Å; I176-F209 HydrophobicContact CG1-CE2 3.75Å; H205-F209 PolarHBondContact O-N 3.22Å; V206-F209 PolarHBondContact O-N 3.16Å; V206-F209 VanDerWaalsContact O-N 3.16Å; F209-Q211 VanDerWaalsContact C-N 3.3Å; F209-Q211 PolarHBondContact O-N 3Å; F209-F214 HydrophobicContact CD2-CD1 4.35Å; F209-F214 HydrophobicContact CD2-CE1 4.05Å; F209-F214 HydrophobicContact CD2-CZ 4.32Å
210H97.8Very high97.4Very high107 Ų10738.3 Ų38.350%0.49519%0.193SC..THydrogen-bonded Turntrans-81.4-0.5-178.6-70.7-65000114.9E47 V206 L208E47-H210 IonicContact OE2-CD2 3.56Å; E47-H210 IonicContact OE2-CE1 2.85Å; E47-H210 IonicContact OE2-NE2 2.72Å; E47-H210 PolarHBondContact OE2-NE2 3.42Å; V206-H210 PolarHBondContact O-CD2 3.1Å; V206-H210 VanDerWaalsContact O-CD2 3.25Å; V206-H210 PolarHBondContact O-N 3.02Å; L208-H210 VanDerWaalsContact C-N 3.26Å; L208-H210 PolarHBondContact O-N 3.27Å
211Q98Very high97.4Very high31 Ų3138.3 Ų38.315%0.14519%0.193CC..  trans-68136.5173.5-66.7-50.4-52.600111.2N207 L208 F209 S213 F214 A221 R224 A225N207-Q211 VanDerWaalsContact O-CG 3.31Å; N207-Q211 WeakPolarHBondContact O-CG 3.33Å; N207-Q211 PolarHBondContact O-N 2.93Å; N207-Q211 PolarHBondContact O-NE2 3.43Å; L208-Q211 PolarHBondContact O-N 3.1Å; F209-Q211 VanDerWaalsContact C-N 3.3Å; F209-Q211 PolarHBondContact O-N 3Å; Q211-S213 PolarHBondContact O-N 3.09Å; Q211-F214 HydrophobicContact CB-CB 4.43Å; Q211-F214 WeakPolarHBondContact O-CB 3.39Å; Q211-F214 PolarHBondContact O-N 3.23Å; Q211-A221 HydrophobicContact CB-CB 3.78Å; Q211-A221 HydrophobicContact CG-CB 4.11Å; Q211-A221 WeakPolarHBondContact CG-O 3.19Å; Q211-R224 HydrophobicContact CG-CB 4.13Å; Q211-R224 VanDerWaalsContact OE1-CB 3.23Å; Q211-A225 HydrophobicContact CG-CB 4.4Å
212E96.4Very high97.4Very high199 Ų19937.9 Ų37.993%0.9319%0.189SC*.THydrogen-bonded Turntrans-57.1-35.4175.2-63-176.4171.600112.2F214E212-F214 VanDerWaalsContact C-N 3.31Å; E212-F214 PolarHBondContact O-N 3.4Å
213S95.4Very high97.4Very high20 Ų2038.9 Ų38.914%0.1420%0.197CC..THydrogen-bonded Turntrans-77.9-8.8178.248.90000114.1Q211 S215 Q216 D217 D220 A221Q211-S213 PolarHBondContact O-N 3.09Å; S213-S215 PolarHBondContact O-N 3.33Å; S213-Q216 PolarHBondContact O-N 3.32Å; S213-D217 CarbonylContact O-C 3.55Å; S213-D217 PolarHBondContact O-N 2.93Å; S213-D220 WeakPolarHBondContact CB-OD2 3.04Å; S213-D220 PolarHBondContact OG-OD2 2.79Å; S213-A221 WeakPolarHBondContact OG-CA 3.36Å; S213-A221 PolarHBondContact OG-N 3.17Å
214F96.9Very high97.4Very high6 Ų645 Ų453%0.02622%0.22CC..THydrogen-bonded Turntrans-48.7-43-173.4173.8-102.3000113.6F170 I176 Q182 L208 F209 Q211 E212 A221 F252 R254F170-F214 HydrophobicContact CD1-CZ 4.26Å; F170-F214 AromaticContact CE1-CE2 3.81Å; F170-F214 HydrophobicContact CE1-CE2 3.81Å; F170-F214 AromaticContact CE1-CZ 3.64Å; F170-F214 HydrophobicContact CE1-CZ 3.64Å; F170-F214 HydrophobicContact CZ-CE2 4.32Å; I176-F214 HydrophobicContact CD1-CE1 3.72Å; I176-F214 HydrophobicContact CD1-CZ 3.72Å; Q182-F214 VanDerWaalsContact OE1-CZ 3.23Å; L208-F214 HydrophobicContact CD1-CD2 4.01Å; L208-F214 HydrophobicContact CD1-CE2 4.48Å; L208-F214 HydrophobicContact CG-CD2 3.97Å; L208-F214 HydrophobicContact CG-CE2 4.09Å; L208-F214 WeakPolarHBondContact O-CD2 3.41Å; F209-F214 HydrophobicContact CD2-CD1 4.35Å; F209-F214 HydrophobicContact CD2-CE1 4.05Å; F209-F214 HydrophobicContact CD2-CZ 4.32Å; Q211-F214 HydrophobicContact CB-CB 4.43Å; Q211-F214 WeakPolarHBondContact O-CB 3.39Å; Q211-F214 PolarHBondContact O-N 3.23Å; E212-F214 VanDerWaalsContact C-N 3.31Å; E212-F214 PolarHBondContact O-N 3.4Å; F214-A221 HydrophobicContact CB-CB 4.38Å; F214-F252 HydrophobicContact CE2-CE1 4.27Å; F214-F252 HydrophobicContact CE2-CE2 4.37Å; F214-F252 AromaticContact CE2-CZ 3.62Å; F214-F252 HydrophobicContact CE2-CZ 3.62Å; F214-F252 AromaticContact CZ-CZ 3.99Å; F214-F252 HydrophobicContact CZ-CZ 3.99Å; F214-R254 VanDerWaalsContact O-CZ 3.3Å; F214-R254 PolarHBondContact O-NH1 3.46Å; F214-R254 PolarHBondContact O-NH2 2.76Å
215S94.9Very high97.4Very high59 Ų5945 Ų4541%0.41322%0.22SC..THydrogen-bonded Turntrans-74.8-32.7-176.7-61.70000113.7Q179 S213 R254Q179-S215 VanDerWaalsContact NE2-CB 3.28Å; Q179-S215 PolarHBondContact NE2-OG 3.35Å; S213-S215 PolarHBondContact O-N 3.33Å; S215-R254 PolarHBondContact O-NH1 2.83Å
216Q94.4Very high97.4Very high175 Ų17544.6 Ų44.682%0.81822%0.218SC*.THydrogen-bonded Turntrans-102.9-36.1-170.7-57.8-57.1-28.900112.9S213S213-Q216 PolarHBondContact O-N 3.32Å
217D96.6Very high97.4Very high70 Ų7048.9 Ų48.937%0.37424%0.236SC..  trans-141.985.6-177.1-170.5-16.3000110.2S213 S219 D220 A221S213-D217 CarbonylContact O-C 3.55Å; S213-D217 PolarHBondContact O-N 2.93Å; D217-S219 PolarHBondContact O-N 3.2Å; D217-S219 WeakPolarHBondContact OD1-CB 3.26Å; D217-S219 PolarHBondContact OD1-N 3.49Å; D217-S219 VanDerWaalsContact OD1-N 3.12Å; D217-D220 HydrophobicContact CB-CB 4.14Å; D217-D220 PolarHBondContact O-N 3.46Å; D217-D220 PolarHBondContact OD1-N 3.35Å; D217-D220 WeakPolarHBondContact OD2-CB 3.35Å; D217-A221 WeakPolarHBondContact O-CB 3.43Å; D217-A221 PolarHBondContact O-N 3.23Å
218P96.5Very high97.4Very high8 Ų851 Ų515%0.05225%0.247CC..Hα-helixtrans-59.7-25.7177.2-27.637.9000114L222 F252P218-L222 WeakPolarHBondContact O-CB 3.24Å; P218-L222 VanDerWaalsContact O-CG 3.24Å; P218-L222 WeakPolarHBondContact O-CG 3.46Å; P218-L222 PolarHBondContact O-N 3.44Å; P218-F252 HydrophobicContact CB-CD1 3.98Å; P218-F252 HydrophobicContact CB-CE1 3.95Å; P218-F252 HydrophobicContact CG-CE1 4.37Å
219S96.2Very high97.4Very high0 Ų051 Ų510%025%0.247CC..Hα-helixtrans-75.5-47.1-178.2-79.10000111.6D217 A221 L222 C223 H259 I336D217-S219 PolarHBondContact O-N 3.2Å; D217-S219 WeakPolarHBondContact OD1-CB 3.26Å; D217-S219 PolarHBondContact OD1-N 3.49Å; D217-S219 VanDerWaalsContact OD1-N 3.12Å; S219-A221 VanDerWaalsContact C-N 3.31Å; S219-L222 PolarHBondContact O-N 2.97Å; S219-C223 PolarHBondContact O-N 3.23Å; S219-C223 VanDerWaalsContact O-N 3.13Å; S219-H259 PolarHBondContact OG-ND1 2.65Å; S219-I336 WeakPolarHBondContact OG-CD1 3.5Å; S219-I336 WeakPolarHBondContact OG-CG1 3.47Å
220D97.2Very high97.4Very high43 Ų4349 Ų4923%0.2324%0.239CC..Hα-helixtrans-61.5-42.3169.9171.484.2000110.9S213 D217 L222 C223 R224S213-D220 WeakPolarHBondContact CB-OD2 3.04Å; S213-D220 PolarHBondContact OG-OD2 2.79Å; D217-D220 HydrophobicContact CB-CB 4.14Å; D217-D220 PolarHBondContact O-N 3.46Å; D217-D220 PolarHBondContact OD1-N 3.35Å; D217-D220 WeakPolarHBondContact OD2-CB 3.35Å; D220-L222 VanDerWaalsContact C-N 3.33Å; D220-L222 PolarHBondContact O-N 2.98Å; D220-C223 PolarHBondContact O-N 3.28Å; D220-R224 VanDerWaalsContact CG-NE 3.32Å; D220-R224 WeakPolarHBondContact O-CG 3.45Å; D220-R224 PolarHBondContact O-N 3.21Å; D220-R224 IonicContact OD1-CZ 3.43Å; D220-R224 IonicContact OD1-NE 3.64Å; D220-R224 PolarHBondContact OD1-NE 2.99Å; D220-R224 IonicContact OD1-NH2 3.05Å; D220-R224 PolarHBondContact OD1-NH2 3.01Å; D220-R224 IonicContact OD2-CZ 3.46Å; D220-R224 IonicContact OD2-NE 3.33Å; D220-R224 PolarHBondContact OD2-NE 3.06Å; D220-R224 IonicContact OD2-NH2 2.82Å; D220-R224 PolarHBondContact OD2-NH2 3Å
221A98.4Very high97.4Very high0 Ų048.2 Ų48.20%024%0.236CC..Hα-helixtrans-58.5-42.517600000112.3L208 Q211 S213 F214 D217 S219 R224 A225L208-A221 HydrophobicContact CD1-CB 3.81Å; Q211-A221 HydrophobicContact CB-CB 3.78Å; Q211-A221 HydrophobicContact CG-CB 4.11Å; Q211-A221 WeakPolarHBondContact CG-O 3.19Å; S213-A221 WeakPolarHBondContact OG-CA 3.36Å; S213-A221 PolarHBondContact OG-N 3.17Å; F214-A221 HydrophobicContact CB-CB 4.38Å; D217-A221 WeakPolarHBondContact O-CB 3.43Å; D217-A221 PolarHBondContact O-N 3.23Å; S219-A221 VanDerWaalsContact C-N 3.31Å; A221-R224 PolarHBondContact O-N 3.25Å; A221-A225 VanDerWaalsContact O-CB 3.25Å; A221-A225 WeakPolarHBondContact O-CB 3.43Å; A221-A225 PolarHBondContact O-N 3.2Å
222L98.4Very high97.4Very high0 Ų049.1 Ų49.10%024%0.238CC..Hα-helixtrans-61.2-48.4174.8-82.5165.1000111.9L208 P218 S219 D220 R224 A225 F226 V250 F252 H259 A261L208-L222 HydrophobicContact CD1-CB 4.47Å; L208-L222 HydrophobicContact CD1-CD2 3.93Å; L208-L222 HydrophobicContact CD1-CG 3.82Å; L208-L222 HydrophobicContact CD2-CD2 3.76Å; L208-L222 HydrophobicContact CD2-CG 4.37Å; L208-L222 HydrophobicContact CG-CD2 4.37Å; P218-L222 WeakPolarHBondContact O-CB 3.24Å; P218-L222 VanDerWaalsContact O-CG 3.24Å; P218-L222 WeakPolarHBondContact O-CG 3.46Å; P218-L222 PolarHBondContact O-N 3.44Å; S219-L222 PolarHBondContact O-N 2.97Å; D220-L222 VanDerWaalsContact C-N 3.33Å; D220-L222 PolarHBondContact O-N 2.98Å; L222-R224 VanDerWaalsContact C-N 3.31Å; L222-R224 PolarHBondContact O-N 2.71Å; L222-A225 WeakPolarHBondContact O-CB 3.49Å; L222-A225 PolarHBondContact O-N 2.97Å; L222-A225 VanDerWaalsContact O-N 3.15Å; L222-F226 WeakPolarHBondContact O-CD2 3.26Å; L222-F226 PolarHBondContact O-N 2.76Å; L222-V250 HydrophobicContact CD2-CB 4.45Å; L222-V250 HydrophobicContact CD2-CG1 3.76Å; L222-F252 HydrophobicContact CD1-CB 4.05Å; L222-H259 HydrophobicContact CD1-CB 3.89Å; L222-A261 HydrophobicContact CB-CB 3.69Å; L222-A261 HydrophobicContact CD1-CB 3.99Å; L222-A261 HydrophobicContact CD2-CB 4.35Å; L222-A261 HydrophobicContact CG-CB 4.24Å
223C98.4Very high97.5Very high27 Ų2739.7 Ų39.718%0.18219%0.193CC..Hα-helixtrans-58.9-43.2177.7-75.20000111.9S219 D220 F226 K227 A332 H334S219-C223 PolarHBondContact O-N 3.23Å; S219-C223 VanDerWaalsContact O-N 3.13Å; D220-C223 PolarHBondContact O-N 3.28Å; C223-F226 PolarHBondContact O-N 3.43Å; C223-K227 PolarHBondContact O-N 2.92Å; C223-K227 VanDerWaalsContact O-N 3.14Å; C223-A332 PolarHBondContact SG-O 2.91Å; C223-H334 PolarHBondContact SG-ND1 3.04Å
224R98.4Very high97.6Very high131 Ų13141 Ų4149%0.49420%0.198SC..Hα-helixtrans-66-37.9175.6-67.7-179.2-165.8-83.9-16.2112.4Q211 D220 A221 L222 K227 L228Q211-R224 HydrophobicContact CG-CB 4.13Å; Q211-R224 VanDerWaalsContact OE1-CB 3.23Å; D220-R224 VanDerWaalsContact CG-NE 3.32Å; D220-R224 WeakPolarHBondContact O-CG 3.45Å; D220-R224 PolarHBondContact O-N 3.21Å; D220-R224 IonicContact OD1-CZ 3.43Å; D220-R224 IonicContact OD1-NE 3.64Å; D220-R224 PolarHBondContact OD1-NE 2.99Å; D220-R224 IonicContact OD1-NH2 3.05Å; D220-R224 PolarHBondContact OD1-NH2 3.01Å; D220-R224 IonicContact OD2-CZ 3.46Å; D220-R224 IonicContact OD2-NE 3.33Å; D220-R224 PolarHBondContact OD2-NE 3.06Å; D220-R224 IonicContact OD2-NH2 2.82Å; D220-R224 PolarHBondContact OD2-NH2 3Å; A221-R224 PolarHBondContact O-N 3.25Å; L222-R224 VanDerWaalsContact C-N 3.31Å; L222-R224 PolarHBondContact O-N 2.71Å; R224-K227 PolarHBondContact O-N 3.11Å; R224-L228 WeakPolarHBondContact O-CB 3.43Å; R224-L228 PolarHBondContact O-N 3.11Å
225A98.7Very high97.6Very high0 Ų046.9 Ų46.90%022%0.224CC..Hα-helixtrans-65.1-43177.500000111.9N207 L208 Q211 A221 L222 L228 T229N207-A225 HydrophobicContact CB-CB 4.14Å; L208-A225 HydrophobicContact CB-CB 3.95Å; Q211-A225 HydrophobicContact CG-CB 4.4Å; A221-A225 VanDerWaalsContact O-CB 3.25Å; A221-A225 WeakPolarHBondContact O-CB 3.43Å; A221-A225 PolarHBondContact O-N 3.2Å; L222-A225 WeakPolarHBondContact O-CB 3.49Å; L222-A225 PolarHBondContact O-N 2.97Å; L222-A225 VanDerWaalsContact O-N 3.15Å; A225-L228 PolarHBondContact O-N 2.9Å; A225-T229 VanDerWaalsContact O-CB 3.28Å; A225-T229 WeakPolarHBondContact O-CB 3.42Å; A225-T229 PolarHBondContact O-N 3.36Å; A225-T229 PolarHBondContact O-OG1 2.79Å
226F98.8Very high97.6Very high0 Ų044.7 Ų44.70%021%0.207CC..Hα-helixtrans-56.8-50.6172.3-94.5-84.4000111.4L204 L222 C223 T229 D230 V250 A261 L263 I319 A332L204-F226 HydrophobicContact CD1-CD1 3.66Å; L204-F226 HydrophobicContact CD1-CD2 4.03Å; L204-F226 HydrophobicContact CD1-CE1 3.62Å; L204-F226 HydrophobicContact CD1-CE2 3.99Å; L204-F226 HydrophobicContact CD1-CG 3.87Å; L204-F226 HydrophobicContact CD1-CZ 3.8Å; L204-F226 HydrophobicContact CD2-CD2 4.45Å; L204-F226 HydrophobicContact CD2-CE2 4.31Å; L222-F226 WeakPolarHBondContact O-CD2 3.26Å; L222-F226 PolarHBondContact O-N 2.76Å; C223-F226 PolarHBondContact O-N 3.43Å; F226-T229 WeakPolarHBondContact O-CB 3.23Å; F226-T229 PolarHBondContact O-N 3.33Å; F226-D230 PolarHBondContact O-N 3.01Å; F226-V250 HydrophobicContact CE2-CB 4.24Å; F226-V250 HydrophobicContact CE2-CG2 3.76Å; F226-V250 HydrophobicContact CZ-CB 4.42Å; F226-V250 HydrophobicContact CZ-CG2 3.64Å; F226-A261 HydrophobicContact CD2-CB 4.15Å; F226-A261 HydrophobicContact CE2-CB 3.74Å; F226-L263 HydrophobicContact CD1-CB 4.07Å; F226-L263 HydrophobicContact CD1-CD1 4.18Å; F226-L263 HydrophobicContact CE1-CB 3.96Å; F226-I319 HydrophobicContact CD1-CD1 3.92Å; F226-I319 HydrophobicContact CD1-CG1 4.4Å; F226-I319 HydrophobicContact CE1-CD1 4.24Å; F226-A332 HydrophobicContact CB-CB 3.67Å; F226-A332 HydrophobicContact CD1-CB 4.07Å; F226-A332 HydrophobicContact CD2-CB 3.68Å; F226-A332 HydrophobicContact CE2-CB 4.31Å; F226-A332 HydrophobicContact CG-CB 3.54Å
227K98.5Very high97.7Very high95 Ų9536.5 Ų36.541%0.41317%0.17SC..Hα-helixtrans-61.2-46.5179.3-177168.4-176.6161.10112.7C223 R224 T229 D230 E231 D331C223-K227 PolarHBondContact O-N 2.92Å; C223-K227 VanDerWaalsContact O-N 3.14Å; R224-K227 PolarHBondContact O-N 3.11Å; K227-T229 VanDerWaalsContact C-N 3.28Å; K227-T229 PolarHBondContact O-N 2.9Å; K227-D230 PolarHBondContact O-N 2.91Å; K227-E231 WeakPolarHBondContact CE-OE1 3.38Å; K227-E231 WeakPolarHBondContact O-CG 3.42Å; K227-E231 PolarHBondContact O-N 2.98Å; K227-D331 IonicContact NZ-OD1 2.8Å
228L98.5Very high97.6Very high47 Ų4737.4 Ų37.425%0.24618%0.181CC..Hα-helixtrans-62.4-38.2176.8179.860.3000111.5N207 R224 A225 E231 R232N207-L228 HydrophobicContact CB-CD2 4.24Å; R224-L228 WeakPolarHBondContact O-CB 3.43Å; R224-L228 PolarHBondContact O-N 3.11Å; A225-L228 PolarHBondContact O-N 2.9Å; L228-E231 PolarHBondContact O-N 3.26Å; L228-R232 HydrophobicContact CD1-CG 4.11Å; L228-R232 HydrophobicContact CG-CG 4.45Å; L228-R232 WeakPolarHBondContact O-CB 3.11Å; L228-R232 VanDerWaalsContact O-CG 3.29Å; L228-R232 WeakPolarHBondContact O-CG 2.95Å; L228-R232 PolarHBondContact O-N 3.38Å
229T98.8Very high97.4Very high0 Ų040.5 Ų40.50%019%0.192CC..Hα-helixtrans-65.1-43.2177.1-54.80000110.8Y199 A200 L204 N207 A225 F226 K227 F233 I319Y199-T229 HydrophobicContact CD1-CG2 3.95Å; Y199-T229 HydrophobicContact CE1-CG2 4.06Å; A200-T229 HydrophobicContact CB-CG2 4.5Å; L204-T229 HydrophobicContact CB-CG2 4.34Å; N207-T229 PolarHBondContact ND2-OG1 3.01Å; A225-T229 VanDerWaalsContact O-CB 3.28Å; A225-T229 WeakPolarHBondContact O-CB 3.42Å; A225-T229 PolarHBondContact O-N 3.36Å; A225-T229 PolarHBondContact O-OG1 2.79Å; F226-T229 WeakPolarHBondContact O-CB 3.23Å; F226-T229 PolarHBondContact O-N 3.33Å; K227-T229 VanDerWaalsContact C-N 3.28Å; K227-T229 PolarHBondContact O-N 2.9Å; T229-F233 VanDerWaalsContact O-CB 3.28Å; T229-F233 WeakPolarHBondContact O-CB 3.15Å; T229-F233 PolarHBondContact O-N 3.45Å; T229-I319 HydrophobicContact CG2-CD1 4.02Å
230D98.8Very high97.3Very high11 Ų1143.3 Ų43.36%0.05921%0.205CC..Hα-helixtrans-60.6-51173-178.653.4000111.8F226 K227 R232 F233 I234 I319 G320 K325F226-D230 PolarHBondContact O-N 3.01Å; K227-D230 PolarHBondContact O-N 2.91Å; D230-R232 VanDerWaalsContact C-N 3.33Å; D230-R232 PolarHBondContact O-N 2.99Å; D230-F233 PolarHBondContact O-N 2.94Å; D230-I234 VanDerWaalsContact O-CG1 3.24Å; D230-I234 WeakPolarHBondContact O-CG1 3.28Å; D230-I234 PolarHBondContact O-N 2.92Å; D230-I319 HydrophobicContact CB-CG1 4.3Å; D230-I319 WeakPolarHBondContact OD1-CA 3.38Å; D230-G320 PolarHBondContact OD1-N 3.09Å; D230-K325 IonicContact OD1-NZ 3.41Å; D230-K325 PolarHBondContact OD1-NZ 3.4Å; D230-K325 IonicContact OD2-NZ 3.07Å; D230-K325 PolarHBondContact OD2-NZ 3.15Å
231E98.1Very high97.2Very high91 Ų9149 Ų4943%0.42523%0.23SC..Hα-helixtrans-58.3-43.7179.2-72.4172.9-174.900112.3K227 L228 K235K227-E231 WeakPolarHBondContact CE-OE1 3.38Å; K227-E231 WeakPolarHBondContact O-CG 3.42Å; K227-E231 PolarHBondContact O-N 2.98Å; L228-E231 PolarHBondContact O-N 3.26Å; E231-K235 WeakPolarHBondContact O-CG 3.27Å; E231-K235 PolarHBondContact O-N 2.94Å
232R97.6Very high97Very high50 Ų5050.5 Ų50.519%0.18924%0.238CC..Hα-helixtrans-68.9-39.9176.8-70.5179.5160.5173.1-5.9111.8D44 Y199 N207 L228 D230 K235 K236D44-R232 IonicContact OD1-CZ 3.48Å; D44-R232 IonicContact OD1-NH2 3.19Å; D44-R232 PolarHBondContact OD1-NH2 3.27Å; D44-R232 IonicContact OD2-CZ 2.86Å; D44-R232 IonicContact OD2-NE 3.55Å; D44-R232 PolarHBondContact OD2-NE 2.91Å; D44-R232 IonicContact OD2-NH2 3.44Å; D44-R232 PolarHBondContact OD2-NH2 3.29Å; Y199-R232 HydrophobicContact CE1-CB 4.09Å; Y199-R232 WeakPolarHBondContact OH-CB 3.18Å; N207-R232 PolarHBondContact OD1-NH1 3.18Å; L228-R232 HydrophobicContact CD1-CG 4.11Å; L228-R232 HydrophobicContact CG-CG 4.45Å; L228-R232 WeakPolarHBondContact O-CB 3.11Å; L228-R232 VanDerWaalsContact O-CG 3.29Å; L228-R232 WeakPolarHBondContact O-CG 2.95Å; L228-R232 PolarHBondContact O-N 3.38Å; D230-R232 VanDerWaalsContact C-N 3.33Å; D230-R232 PolarHBondContact O-N 2.99Å; R232-K235 WeakPolarHBondContact O-CB 3.29Å; R232-K235 PolarHBondContact O-N 2.82Å; R232-K236 PolarHBondContact O-N 3.42Å
233F98Very high96.9Very high0 Ų058.3 Ų58.30%027%0.267CS..Hα-helixtrans-67.3-37.6176.8-174.3-110.1000112.5D195 A196 Y199 T229 D230 K235 K236 A237 L242 I319D195-F233 HydrophobicContact CB-CE2 4.4Å; D195-F233 HydrophobicContact CB-CZ 4.42Å; A196-F233 HydrophobicContact CB-CD1 4.13Å; A196-F233 HydrophobicContact CB-CE1 3.43Å; A196-F233 VanDerWaalsContact CB-CE1 3.43Å; A196-F233 HydrophobicContact CB-CE2 4.26Å; A196-F233 HydrophobicContact CB-CZ 3.52Å; Y199-F233 VanDerWaalsContact CB-CD2 3.48Å; Y199-F233 HydrophobicContact CD1-CB 3.61Å; Y199-F233 AromaticContact CD1-CD2 3.8Å; Y199-F233 HydrophobicContact CD1-CD2 3.8Å; Y199-F233 HydrophobicContact CD1-CG 4.08Å; Y199-F233 AromaticContact CD2-CD2 3.97Å; Y199-F233 HydrophobicContact CD2-CD2 3.97Å; Y199-F233 HydrophobicContact CE1-CB 3.88Å; Y199-F233 HydrophobicContact CG-CB 4.19Å; Y199-F233 AromaticContact CG-CD2 3.45Å; Y199-F233 HydrophobicContact CG-CD2 3.45Å; Y199-F233 VanDerWaalsContact CG-CD2 3.45Å; Y199-F233 HydrophobicContact CG-CE2 4.29Å; Y199-F233 HydrophobicContact CG-CG 4.2Å; T229-F233 VanDerWaalsContact O-CB 3.28Å; T229-F233 WeakPolarHBondContact O-CB 3.15Å; T229-F233 PolarHBondContact O-N 3.45Å; D230-F233 PolarHBondContact O-N 2.94Å; F233-K235 VanDerWaalsContact C-N 3.28Å; F233-K235 PolarHBondContact O-N 3.37Å; F233-K236 HydrophobicContact CD2-CB 4.4Å; F233-K236 HydrophobicContact CD2-CD 4.32Å; F233-K236 HydrophobicContact CE2-CD 4.41Å; F233-K236 CarbonylContact O-C 3.44Å; F233-K236 WeakPolarHBondContact O-CB 3.46Å; F233-K236 PolarHBondContact O-N 2.74Å; F233-K236 VanDerWaalsContact O-N 3.12Å; F233-A237 HydrophobicContact CE1-CB 4.23Å; F233-A237 HydrophobicContact CZ-CB 4.36Å; F233-A237 VanDerWaalsContact O-CB 3.27Å; F233-A237 WeakPolarHBondContact O-CB 3.28Å; F233-A237 PolarHBondContact O-N 3.01Å; F233-L242 HydrophobicContact CE2-CD1 4.28Å; F233-L242 HydrophobicContact CZ-CD1 4.29Å; F233-I319 HydrophobicContact CB-CG2 4.14Å; F233-I319 HydrophobicContact CD1-CG2 4.17Å; F233-I319 HydrophobicContact CG-CG2 4.34Å
234I97.9Very high96.9Very high48 Ų4857.2 Ų57.225%0.24626%0.26CS..Hα-helixtrans-57.6-43173.7-68.1163.6000110.6D230 A237 S238 K325D230-I234 VanDerWaalsContact O-CG1 3.24Å; D230-I234 WeakPolarHBondContact O-CG1 3.28Å; D230-I234 PolarHBondContact O-N 2.92Å; I234-A237 PolarHBondContact O-N 3.37Å; I234-S238 WeakPolarHBondContact O-CB 3.47Å; I234-S238 PolarHBondContact O-N 3.45Å; I234-K325 HydrophobicContact CD1-CD 3.59Å; I234-K325 HydrophobicContact CG1-CD 4.34Å
235K96.2Very high96.9Very high130 Ų13051 Ų5157%0.56524%0.236SC*.Hα-helixtrans-61.8-46.3175.2-66.7175.6-175.6-179.80110.7E231 R232 F233 S238 R239E231-K235 WeakPolarHBondContact O-CG 3.27Å; E231-K235 PolarHBondContact O-N 2.94Å; R232-K235 WeakPolarHBondContact O-CB 3.29Å; R232-K235 PolarHBondContact O-N 2.82Å; F233-K235 VanDerWaalsContact C-N 3.28Å; F233-K235 PolarHBondContact O-N 3.37Å; K235-S238 PolarHBondContact O-N 3.46Å; K235-R239 VanDerWaalsContact O-CG 3.32Å; K235-R239 WeakPolarHBondContact O-CG 3.37Å; K235-R239 PolarHBondContact O-N 2.96Å; K235-R239 VanDerWaalsContact O-N 3.15Å
236K94.9Very high96.9Very high12 Ų1251 Ų515%0.05224%0.236CC..Hα-helixtrans-58.5-50.9175.5-171.7-177.8-173.3620111.7S38 E45 Y199 R232 F233 S238 R239 E240S38-K236 PolarHBondContact OG-NZ 2.92Å; E45-K236 WeakPolarHBondContact OE1-CD 3.33Å; E45-K236 IonicContact OE1-NZ 3Å; E45-K236 PolarHBondContact OE1-NZ 2.91Å; Y199-K236 HydrophobicContact CD2-CD 3.56Å; Y199-K236 HydrophobicContact CE2-CD 3.82Å; R232-K236 PolarHBondContact O-N 3.42Å; F233-K236 HydrophobicContact CD2-CB 4.4Å; F233-K236 HydrophobicContact CD2-CD 4.32Å; F233-K236 HydrophobicContact CE2-CD 4.41Å; F233-K236 CarbonylContact O-C 3.44Å; F233-K236 WeakPolarHBondContact O-CB 3.46Å; F233-K236 PolarHBondContact O-N 2.74Å; F233-K236 VanDerWaalsContact O-N 3.12Å; K236-S238 VanDerWaalsContact C-N 3.3Å; K236-S238 PolarHBondContact O-N 3.27Å; K236-R239 WeakPolarHBondContact O-CB 3.4Å; K236-R239 PolarHBondContact O-N 2.77Å; K236-R239 VanDerWaalsContact O-N 3.08Å; K236-E240 VanDerWaalsContact CE-OE1 3.29Å; K236-E240 WeakPolarHBondContact CE-OE1 3.3Å; K236-E240 WeakPolarHBondContact CG-OE1 3.33Å; K236-E240 IonicContact NZ-OE1 2.66Å; K236-E240 PolarHBondContact NZ-OE1 3.37Å; K236-E240 IonicContact NZ-OE2 3.08Å; K236-E240 PolarHBondContact O-N 2.99Å
237A95.8Very high96.9Very high4 Ų451 Ų513%0.03324%0.236CC..Hα-helixtrans-59.2-39.1-179.600000112.3F233 I234 E240 H241 L242F233-A237 HydrophobicContact CE1-CB 4.23Å; F233-A237 HydrophobicContact CZ-CB 4.36Å; F233-A237 VanDerWaalsContact O-CB 3.27Å; F233-A237 WeakPolarHBondContact O-CB 3.28Å; F233-A237 PolarHBondContact O-N 3.01Å; I234-A237 PolarHBondContact O-N 3.37Å; A237-E240 PolarHBondContact O-N 3.33Å; A237-H241 CarbonylContact O-C 3.53Å; A237-H241 VanDerWaalsContact O-CA 3.26Å; A237-H241 WeakPolarHBondContact O-CA 3.46Å; A237-H241 PolarHBondContact O-N 3.31Å; A237-L242 HydrophobicContact CB-CB 3.9Å; A237-L242 PolarHBondContact O-N 3.26Å
238S95.4Very high96.9Very high89 Ų8946.5 Ų46.562%0.62222%0.217SC*.Hα-helixtrans-63-45.7173.1179.30000112.2I234 K235 K236 E240 H241I234-S238 WeakPolarHBondContact O-CB 3.47Å; I234-S238 PolarHBondContact O-N 3.45Å; K235-S238 PolarHBondContact O-N 3.46Å; K236-S238 VanDerWaalsContact C-N 3.3Å; K236-S238 PolarHBondContact O-N 3.27Å; S238-E240 VanDerWaalsContact C-N 3.35Å; S238-E240 PolarHBondContact O-N 2.92Å; S238-H241 PolarHBondContact O-ND1 2.81Å
239R92.4Very high96.9Very high73 Ų7344.2 Ų44.228%0.27521%0.205SC..Hα-helixtrans-64-40178.7-64.3177.4-44.8-155.78.2112.1E45 D109 K235 K236 H241E45-R239 IonicContact OE1-NH2 2.75Å; E45-R239 IonicContact OE2-NH2 2.66Å; D109-R239 IonicContact OD2-NH1 3.75Å; K235-R239 VanDerWaalsContact O-CG 3.32Å; K235-R239 WeakPolarHBondContact O-CG 3.37Å; K235-R239 PolarHBondContact O-N 2.96Å; K235-R239 VanDerWaalsContact O-N 3.15Å; K236-R239 WeakPolarHBondContact O-CB 3.4Å; K236-R239 PolarHBondContact O-N 2.77Å; K236-R239 VanDerWaalsContact O-N 3.08Å; R239-H241 PolarHBondContact O-ND1 3.43Å
240E93.4Very high96.9Very high58 Ų5844.2 Ų44.227%0.27121%0.205SC..Hα-helixtrans-100.73.7-172.6-68.9172.7-12800113.4S38 K236 A237 S238 L242S38-E240 WeakPolarHBondContact CB-OE2 3.3Å; S38-E240 PolarHBondContact OG-OE1 2.78Å; S38-E240 PolarHBondContact OG-OE2 3.05Å; K236-E240 VanDerWaalsContact CE-OE1 3.29Å; K236-E240 WeakPolarHBondContact CE-OE1 3.3Å; K236-E240 WeakPolarHBondContact CG-OE1 3.33Å; K236-E240 IonicContact NZ-OE1 2.66Å; K236-E240 PolarHBondContact NZ-OE1 3.37Å; K236-E240 IonicContact NZ-OE2 3.08Å; K236-E240 PolarHBondContact O-N 2.99Å; A237-E240 PolarHBondContact O-N 3.33Å; S238-E240 VanDerWaalsContact C-N 3.35Å; S238-E240 PolarHBondContact O-N 2.92Å; E240-L242 VanDerWaalsContact C-N 3.28Å; E240-L242 HydrophobicContact CB-CD1 3.99Å; E240-L242 HydrophobicContact CB-CD2 4.37Å; E240-L242 HydrophobicContact CB-CG 3.83Å; E240-L242 PolarHBondContact O-N 3.21Å
241H94.8Very high96.9Very high162 Ų16243.7 Ų43.775%0.7520%0.202SC*.THydrogen-bonded Turntrans59.436.9177.8-5638.7000112.9A237 S238 R239A237-H241 CarbonylContact O-C 3.53Å; A237-H241 VanDerWaalsContact O-CA 3.26Å; A237-H241 WeakPolarHBondContact O-CA 3.46Å; A237-H241 PolarHBondContact O-N 3.31Å; S238-H241 PolarHBondContact O-ND1 2.81Å; R239-H241 PolarHBondContact O-ND1 3.43Å
242L95.6Very high96.9Very high33 Ų3339.4 Ų39.417%0.17318%0.182CC..  trans-86.6146179.5-50.7171.7000110.5D195 F233 A237 E240D195-L242 HydrophobicContact CB-CD1 3.77Å; F233-L242 HydrophobicContact CE2-CD1 4.28Å; F233-L242 HydrophobicContact CZ-CD1 4.29Å; A237-L242 HydrophobicContact CB-CB 3.9Å; A237-L242 PolarHBondContact O-N 3.26Å; E240-L242 VanDerWaalsContact C-N 3.28Å; E240-L242 HydrophobicContact CB-CD1 3.99Å; E240-L242 HydrophobicContact CB-CD2 4.37Å; E240-L242 HydrophobicContact CB-CG 3.83Å; E240-L242 PolarHBondContact O-N 3.21Å
243R96.1Very high97Very high164 Ų16437 Ų3762%0.61917%0.173SC*.  trans-127.39.9178.8-60.1-178.2-178.8-142.9-0.3113E323R243-E323 WeakPolarHBondContact CD-OE2 3.27Å; R243-E323 IonicContact CZ-OE1 3.39Å; R243-E323 IonicContact CZ-OE2 2.91Å; R243-E323 IonicContact NE-OE1 2.9Å; R243-E323 PolarHBondContact NE-OE1 2.89Å; R243-E323 IonicContact NE-OE2 3.31Å; R243-E323 VanDerWaalsContact NH1-CD 3.26Å; R243-E323 IonicContact NH1-OE1 3.94Å; R243-E323 PolarHBondContact NH1-OE1 3.4Å; R243-E323 IonicContact NH1-OE2 2.89Å; R243-E323 PolarHBondContact NH1-OE2 3.5Å; R243-E323 IonicContact NH2-OE1 3.33Å; R243-E323 PolarHBondContact NH2-OE1 3.45Å
244C97.7Very high96.9Very high3 Ų338 Ų382%0.0218%0.177CC..  trans-77.3162.4179.953.50000111.5H191 G192 G193 A196 D321H191-C244 VanDerWaalsContact O-CA 3.23Å; H191-C244 WeakPolarHBondContact O-CA 3.27Å; H191-C244 VanDerWaalsContact O-CB 3.25Å; H191-C244 WeakPolarHBondContact O-CB 3.45Å; G192-C244 WeakPolarHBondContact O-CB 3.22Å; G193-C244 WeakPolarHBondContact O-CB 3.39Å; A196-C244 HydrophobicContact CB-CB 4.44Å; C244-D321 PolarHBondContact O-N 3.26Å; C244-D321 VanDerWaalsContact O-N 3.15Å
245G98.6Very high96.6Very high0 Ų036.8 Ų36.80%018%0.176CC..EExtended strand (participates in β ladder)trans-138.5173.4170.400000110.4H191 A196 I319 D321H191-G245 PolarHBondContact N-O 3.46Å; H191-G245 WeakPolarHBondContact NE2-CA 3.22Å; H191-G245 PolarHBondContact O-N 3.33Å; A196-G245 VanDerWaalsContact CB-C 3.42Å; G245-I319 CarbonylContact C-O 3.41Å; G245-I319 WeakPolarHBondContact CA-O 3.05Å; G245-D321 PolarHBondContact N-OD1 2.93Å
246T98.9Very high96.5Very high0 Ų037.3 Ų37.30%017%0.174CC..EExtended strand (participates in β ladder)trans-148.1145.2173.5-167.30000111.3D189 A196 A197 A200 I319D189-T246 VanDerWaalsContact C-OG1 3.22Å; D189-T246 CarbonylContact O-C 3.43Å; D189-T246 WeakPolarHBondContact O-CA 3.48Å; D189-T246 WeakPolarHBondContact O-CB 3.32Å; D189-T246 PolarHBondContact O-OG1 3.2Å; A196-T246 HydrophobicContact CB-CG2 3.89Å; A196-T246 WeakPolarHBondContact O-CG2 3.36Å; A197-T246 WeakPolarHBondContact CB-OG1 3.29Å; A200-T246 HydrophobicContact CB-CG2 4.01Å; T246-I319 HydrophobicContact CG2-CB 3.85Å; T246-I319 HydrophobicContact CG2-CG2 4.17Å; T246-I319 PolarHBondContact N-O 2.61Å; T246-I319 PolarHBondContact O-N 2.85Å
247T98.8Very high96.6Very high1 Ų138.9 Ų38.91%0.00619%0.185CC..  trans-74.3171.3161.477.50000109.7F188 D189 L263 D265 S266 V315F188-T247 WeakPolarHBondContact CA-O 3.38Å; F188-T247 WeakPolarHBondContact CD1-O 3.19Å; D189-T247 HydrophobicContact CB-CG2 4.28Å; D189-T247 WeakPolarHBondContact CB-OG1 3.43Å; D189-T247 PolarHBondContact N-OG1 2.88Å; D189-T247 PolarHBondContact O-N 3.3Å; T247-L263 CarbonylContact C-O 3.56Å; T247-L263 WeakPolarHBondContact CA-O 3.3Å; T247-L263 WeakPolarHBondContact CB-O 3.32Å; T247-D265 WeakPolarHBondContact CG2-OD1 3.43Å; T247-S266 PolarHBondContact OG1-OG 3.13Å; T247-V315 HydrophobicContact CG2-CG1 4.02Å
248G98.4Very high96.8Very high0 Ų038.7 Ų38.70%018%0.183CC..EExtended strand (participates in β ladder)trans-158.3130.6170.500000110.8V187 W262 L263V187-G248 WeakPolarHBondContact O-CA 3.48Å; G248-W262 CarbonylContact O-C 3.44Å; G248-W262 WeakPolarHBondContact O-CA 3.48Å; G248-L263 PolarHBondContact N-O 3.17Å; G248-L263 PolarHBondContact O-N 2.95Å
249V98.9Very high96.9Very high0 Ų035 Ų350%016%0.156CC..EExtended strand (participates in β ladder)trans-121.7128.2166.262.40000108.5A186 V187 W262 V268 M280 L348A186-V249 WeakPolarHBondContact CA-O 3.29Å; A186-V249 WeakPolarHBondContact CB-O 3.42Å; V187-V249 HydrophobicContact CB-CG1 4.01Å; V187-V249 PolarHBondContact N-O 3.25Å; V187-V249 PolarHBondContact O-N 2.9Å; V249-W262 HydrophobicContact CB-CB 4.26Å; V249-W262 HydrophobicContact CG2-CB 4.12Å; V249-V268 HydrophobicContact CG2-CB 3.86Å; V249-V268 HydrophobicContact CG2-CG1 3.63Å; V249-M280 HydrophobicContact CG2-SD 4.15Å; V249-L348 HydrophobicContact CG1-CD2 4.49Å
250V98.9Very high97.2Very high0 Ų031.5 Ų31.50%014%0.143CC..EExtended strand (participates in β ladder)trans-124132.9-176.3175.40000109.1Y184 F185 A186 L204 L222 F226 V260 A261Y184-V250 HydrophobicContact CD2-CG1 3.78Å; Y184-V250 HydrophobicContact CE2-CB 4.41Å; Y184-V250 HydrophobicContact CE2-CG1 3.28Å; Y184-V250 HydrophobicContact CE2-CG2 4.23Å; Y184-V250 WeakPolarHBondContact OH-CG2 3.46Å; F185-V250 WeakPolarHBondContact O-CA 3.24Å; A186-V250 HydrophobicContact CB-CG2 3.86Å; L204-V250 HydrophobicContact CD2-CG2 4.08Å; L222-V250 HydrophobicContact CD2-CB 4.45Å; L222-V250 HydrophobicContact CD2-CG1 3.76Å; F226-V250 HydrophobicContact CE2-CB 4.24Å; F226-V250 HydrophobicContact CE2-CG2 3.76Å; F226-V250 HydrophobicContact CZ-CB 4.42Å; F226-V250 HydrophobicContact CZ-CG2 3.64Å; V250-V260 WeakPolarHBondContact O-CA 3.4Å; V250-A261 PolarHBondContact N-O 3.28Å; V250-A261 PolarHBondContact O-N 3.43Å
251T98.8Very high97.5Very high0 Ų028.8 Ų28.80%013%0.13CC..EExtended strand (participates in β ladder)trans-110.8130.3162.957.40000109.1Y184 F185 L258 H259 V260 V268 L346 L348Y184-T251 WeakPolarHBondContact CA-O 3.44Å; F185-T251 WeakPolarHBondContact CB-OG1 3.49Å; F185-T251 PolarHBondContact N-O 3.14Å; F185-T251 PolarHBondContact O-N 3.31Å; F185-T251 PolarHBondContact O-OG1 2.98Å; T251-L258 HydrophobicContact CG2-CD1 4.16Å; T251-H259 WeakPolarHBondContact CA-O 3.38Å; T251-V260 HydrophobicContact CG2-CG2 4.4Å; T251-V268 HydrophobicContact CG2-CB 4.38Å; T251-V268 HydrophobicContact CG2-CG1 4.35Å; T251-V268 HydrophobicContact CG2-CG2 3.73Å; T251-L346 HydrophobicContact CG2-CD1 4.23Å; T251-L348 HydrophobicContact CG2-CD1 4.13Å; T251-L348 HydrophobicContact CG2-CD2 3.95Å; T251-L348 HydrophobicContact CG2-CG 4.15Å
252F98.6Very high97.7Very high0 Ų021.9 Ų21.90%010%0.098CC..EExtended strand (participates in β ladder)trans-128113.4177.4-175.7-108.4000109.2F170 Q182 A183 Y184 L208 F214 P218 L222 R254 H259F170-F252 AromaticContact CD1-CE2 3.97Å; F170-F252 HydrophobicContact CD1-CE2 3.97Å; F170-F252 HydrophobicContact CD1-CZ 4.38Å; F170-F252 HydrophobicContact CD2-CE2 4.12Å; F170-F252 HydrophobicContact CE1-CE2 4.06Å; F170-F252 HydrophobicContact CE1-CZ 4.39Å; F170-F252 HydrophobicContact CE2-CE2 4.16Å; F170-F252 HydrophobicContact CG-CE2 4.01Å; F170-F252 HydrophobicContact CZ-CE2 4.14Å; Q182-F252 HydrophobicContact CB-CE2 4.29Å; Q182-F252 HydrophobicContact CB-CZ 4.16Å; Q182-F252 HydrophobicContact CG-CZ 4.07Å; A183-F252 CarbonylContact O-C 3.58Å; A183-F252 WeakPolarHBondContact O-CA 3.35Å; A183-F252 WeakPolarHBondContact O-CD2 3.15Å; Y184-F252 HydrophobicContact CD2-CD2 4.14Å; L208-F252 HydrophobicContact CD2-CD2 3.98Å; L208-F252 HydrophobicContact CD2-CE2 4.02Å; L208-F252 HydrophobicContact CD2-CG 4.38Å; L208-F252 HydrophobicContact CD2-CZ 4.46Å; F214-F252 HydrophobicContact CE2-CE1 4.27Å; F214-F252 HydrophobicContact CE2-CE2 4.37Å; F214-F252 AromaticContact CE2-CZ 3.62Å; F214-F252 HydrophobicContact CE2-CZ 3.62Å; F214-F252 AromaticContact CZ-CZ 3.99Å; F214-F252 HydrophobicContact CZ-CZ 3.99Å; P218-F252 HydrophobicContact CB-CD1 3.98Å; P218-F252 HydrophobicContact CB-CE1 3.95Å; P218-F252 HydrophobicContact CG-CE1 4.37Å; L222-F252 HydrophobicContact CD1-CB 4.05Å; F252-R254 HydrophobicContact CE1-CB 4.36Å; F252-H259 HydrophobicContact CB-CB 4.25Å; F252-H259 PolarHBondContact N-O 2.73Å; F252-H259 WeakPolarHBondContact O-CB 3.5Å; F252-H259 PolarHBondContact O-N 2.89Å
253L97.9Very high97.7Very high0 Ų020.3 Ų20.30%09%0.089CC..EExtended strand (participates in β ladder)trans-94132.4178.2-72.6139.8000108.5Y146 Q182 A183 F185 T257 L258 L339 L404Y146-L253 HydrophobicContact CD1-CD1 4.27Å; Y146-L253 HydrophobicContact CE1-CD1 3.78Å; Y146-L253 HydrophobicContact CE1-CD2 4.49Å; Q182-L253 WeakPolarHBondContact CA-O 3.44Å; Q182-L253 WeakPolarHBondContact CB-O 3.45Å; A183-L253 HydrophobicContact CB-CB 4.37Å; A183-L253 HydrophobicContact CB-CD1 4.34Å; A183-L253 PolarHBondContact N-O 3.31Å; A183-L253 VanDerWaalsContact N-O 3.08Å; A183-L253 PolarHBondContact O-N 3.28Å; F185-L253 HydrophobicContact CD2-CD1 4.32Å; F185-L253 HydrophobicContact CE2-CD1 3.79Å; L253-T257 WeakPolarHBondContact CA-O 3.42Å; L253-L258 HydrophobicContact CD2-CB 4.3Å; L253-L258 HydrophobicContact CD2-CD1 4.22Å; L253-L258 HydrophobicContact CG-CD1 4.13Å; L253-L339 HydrophobicContact CD2-CD1 3.45Å; L253-L339 VanDerWaalsContact CD2-CD1 3.45Å; L253-L404 HydrophobicContact CD1-CD2 4.1Å; L253-L404 HydrophobicContact CD2-CD2 4.25Å
254R95.9Very high97.8Very high22 Ų2212.5 Ų12.58%0.0836%0.06CC..EExtended strand (participates in β ladder)trans-134.7112.8168.1-179.6178-69.6174.94.4108.4E180 Q182 F214 S215 F252 R256 T257E180-R254 HydrophobicContact CB-CG 4.18Å; Q182-R254 HydrophobicContact CG-CB 3.9Å; Q182-R254 HydrophobicContact CG-CG 3.83Å; F214-R254 VanDerWaalsContact O-CZ 3.3Å; F214-R254 PolarHBondContact O-NH1 3.46Å; F214-R254 PolarHBondContact O-NH2 2.76Å; S215-R254 PolarHBondContact O-NH1 2.83Å; F252-R254 HydrophobicContact CE1-CB 4.36Å; R254-R256 PolarHBondContact O-N 3.45Å; R254-T257 PolarHBondContact N-O 3.11Å; R254-T257 PolarHBondContact O-N 3.35Å
255G93.2Very high97.9Very high22 Ų2212.6 Ų12.623%0.2276%0.06CC..THydrogen-bonded Turntrans55.6-113.5-174.800000111.2E181E181-G255 PolarHBondContact O-N 2.91Å
256R94Very high97.9Very high141 Ų14112.6 Ų12.653%0.5326%0.06SC..THydrogen-bonded Turntrans-10724.6178.8-61.7-177.559.891.9-5.9113.6R254 L339 D340R254-R256 PolarHBondContact O-N 3.45Å; R256-L339 VanDerWaalsContact CZ-O 3.29Å; R256-L339 PolarHBondContact NE-O 2.76Å; R256-L339 PolarHBondContact NH2-O 2.91Å; R256-L339 WeakPolarHBondContact O-CB 3.5Å; R256-L339 PolarHBondContact O-N 2.92Å; R256-D340 PolarHBondContact NH2-O 2.99Å
257T97.6Very high97.9Very high44 Ų4414.7 Ų14.727%0.277%0.07SC..EExtended strand (participates in β ladder)trans-121.8127.1179.1-50.60000109.6L253 R254 H259 I336L253-T257 WeakPolarHBondContact CA-O 3.42Å; R254-T257 PolarHBondContact N-O 3.11Å; R254-T257 PolarHBondContact O-N 3.35Å; T257-H259 WeakPolarHBondContact CG2-NE2 3.35Å; T257-I336 HydrophobicContact CG2-CG2 3.52Å
258L98.6Very high97.8Very high0 Ų014.8 Ų14.80%07%0.071CC..EExtended strand (participates in β ladder)trans-97118.5169.6170.365.9000108.9T251 L253 V260 L279 F337 L339 L346T251-L258 HydrophobicContact CG2-CD1 4.16Å; L253-L258 HydrophobicContact CD2-CB 4.3Å; L253-L258 HydrophobicContact CD2-CD1 4.22Å; L253-L258 HydrophobicContact CG-CD1 4.13Å; L258-V260 HydrophobicContact CD1-CG2 4.28Å; L258-V260 HydrophobicContact CD2-CG2 4.18Å; L258-V260 HydrophobicContact CG-CG2 3.97Å; L258-L279 HydrophobicContact CD2-CD1 4.03Å; L258-F337 HydrophobicContact CB-CB 4.23Å; L258-F337 HydrophobicContact CD2-CB 4.45Å; L258-F337 PolarHBondContact N-O 3.01Å; L258-F337 PolarHBondContact O-N 3.2Å; L258-L339 HydrophobicContact CB-CD1 4.23Å; L258-L339 HydrophobicContact CB-CD2 3.89Å; L258-L339 HydrophobicContact CB-CG 4.19Å; L258-L346 HydrophobicContact CD1-CD1 4.06Å; L258-L346 HydrophobicContact CD2-CD1 4.38Å; L258-L346 HydrophobicContact CD2-CD2 3.68Å
259H98.8Very high97.9Very high12 Ų1215.3 Ų15.36%0.0567%0.074CC..EExtended strand (participates in β ladder)trans-98.5132.2167.9-56.4-97.3000108.4S219 L222 T251 F252 T257 G335S219-H259 PolarHBondContact OG-ND1 2.65Å; L222-H259 HydrophobicContact CD1-CB 3.89Å; T251-H259 WeakPolarHBondContact CA-O 3.38Å; F252-H259 HydrophobicContact CB-CB 4.25Å; F252-H259 PolarHBondContact N-O 2.73Å; F252-H259 WeakPolarHBondContact O-CB 3.5Å; F252-H259 PolarHBondContact O-N 2.89Å; T257-H259 WeakPolarHBondContact CG2-NE2 3.35Å; H259-G335 WeakPolarHBondContact CA-O 3.45Å
260V98.8Very high97.8Very high0 Ų015.4 Ų15.40%07%0.074CC..EExtended strand (participates in β ladder)trans-118.7134.4173.6-174.60000107.7V250 T251 L258 W262 V268 L279 H334 G335 F337V250-V260 WeakPolarHBondContact O-CA 3.4Å; T251-V260 HydrophobicContact CG2-CG2 4.4Å; L258-V260 HydrophobicContact CD1-CG2 4.28Å; L258-V260 HydrophobicContact CD2-CG2 4.18Å; L258-V260 HydrophobicContact CG-CG2 3.97Å; V260-W262 HydrophobicContact CG1-CE3 3.99Å; V260-W262 HydrophobicContact CG1-CZ3 4.45Å; V260-V268 HydrophobicContact CG1-CG1 3.5Å; V260-V268 VanDerWaalsContact CG1-CG1 3.5Å; V260-V268 HydrophobicContact CG2-CG1 4.4Å; V260-L279 HydrophobicContact CG2-CD1 4.06Å; V260-H334 CarbonylContact O-C 3.58Å; V260-H334 WeakPolarHBondContact O-CA 3.17Å; V260-H334 WeakPolarHBondContact O-CB 3.47Å; V260-G335 PolarHBondContact N-O 3.33Å; V260-G335 PolarHBondContact O-N 3.29Å; V260-F337 HydrophobicContact CB-CE2 4.2Å; V260-F337 HydrophobicContact CG2-CD2 3.94Å; V260-F337 HydrophobicContact CG2-CE2 3.84Å
261A98.8Very high97.8Very high0 Ų015.4 Ų15.40%07%0.074CC..EExtended strand (participates in β ladder)trans-134.6137.6169.100000109.2L222 F226 V250 D333 H334L222-A261 HydrophobicContact CB-CB 3.69Å; L222-A261 HydrophobicContact CD1-CB 3.99Å; L222-A261 HydrophobicContact CD2-CB 4.35Å; L222-A261 HydrophobicContact CG-CB 4.24Å; F226-A261 HydrophobicContact CD2-CB 4.15Å; F226-A261 HydrophobicContact CE2-CB 3.74Å; V250-A261 PolarHBondContact N-O 3.28Å; V250-A261 PolarHBondContact O-N 3.43Å; A261-D333 CarbonylContact C-O 3.58Å; A261-D333 VanDerWaalsContact CA-O 3.26Å; A261-D333 WeakPolarHBondContact CA-O 3.4Å; A261-H334 HydrophobicContact CB-CB 4.31Å
262W98.8Very high97.7Very high17 Ų1718.7 Ų18.76%0.0649%0.086CC..EExtended strand (participates in β ladder)trans-148.5158.2-175.67497.5000113G248 V249 V260 M280 K281 H283 A332 D333G248-W262 CarbonylContact O-C 3.44Å; G248-W262 WeakPolarHBondContact O-CA 3.48Å; V249-W262 HydrophobicContact CB-CB 4.26Å; V249-W262 HydrophobicContact CG2-CB 4.12Å; V260-W262 HydrophobicContact CG1-CE3 3.99Å; V260-W262 HydrophobicContact CG1-CZ3 4.45Å; W262-M280 HydrophobicContact CB-CE 4.36Å; W262-M280 HydrophobicContact CB-SD 3.93Å; W262-M280 HydrophobicContact CD2-CB 3.67Å; W262-M280 HydrophobicContact CD2-CE 4.03Å; W262-M280 HydrophobicContact CD2-CG 4.42Å; W262-M280 HydrophobicContact CD2-SD 3.91Å; W262-M280 HydrophobicContact CE3-CB 3.69Å; W262-M280 HydrophobicContact CE3-SD 4.46Å; W262-M280 HydrophobicContact CG-CB 4.4Å; W262-M280 HydrophobicContact CG-CE 3.63Å; W262-M280 HydrophobicContact CG-SD 3.63Å; W262-M280 HydrophobicContact CH2-CB 3.69Å; W262-M280 HydrophobicContact CZ2-CB 3.68Å; W262-M280 HydrophobicContact CZ3-CB 3.68Å; W262-K281 PolarHBondContact NE1-O 2.84Å; W262-H283 AromaticContact CD1-CE1 3.4Å; W262-H283 AromaticContact CD1-ND1 3.44Å; W262-H283 AromaticContact NE1-CE1 3.22Å; W262-H283 PolarHBondContact NE1-CE1 2.9Å; W262-H283 AromaticContact NE1-ND1 3.58Å; W262-H283 AromaticContact NE1-NE2 3.81Å; W262-H283 PolarHBondContact O-CE1 3Å; W262-A332 WeakPolarHBondContact O-CA 3.24Å; W262-A332 WeakPolarHBondContact O-CB 3.35Å; W262-D333 HydrophobicContact CD2-CB 4.12Å; W262-D333 HydrophobicContact CE3-CB 4.39Å; W262-D333 HydrophobicContact CH2-CB 3.77Å; W262-D333 HydrophobicContact CZ2-CB 3.41Å; W262-D333 VanDerWaalsContact CZ2-CB 3.41Å; W262-D333 HydrophobicContact CZ3-CB 4.25Å; W262-D333 PolarHBondContact N-O 2.83Å; W262-D333 PolarHBondContact O-N 3.33Å
263L96.6Very high97.5Very high0 Ų026.5 Ų26.50%012%0.116CC..EExtended strand (participates in β ladder)trans-155126.8-177175156.4000107.1F226 T247 G248 R317 A318 G330 A332F226-L263 HydrophobicContact CD1-CB 4.07Å; F226-L263 HydrophobicContact CD1-CD1 4.18Å; F226-L263 HydrophobicContact CE1-CB 3.96Å; T247-L263 CarbonylContact C-O 3.56Å; T247-L263 WeakPolarHBondContact CA-O 3.3Å; T247-L263 WeakPolarHBondContact CB-O 3.32Å; G248-L263 PolarHBondContact N-O 3.17Å; G248-L263 PolarHBondContact O-N 2.95Å; L263-R317 HydrophobicContact CD1-CB 4.48Å; L263-R317 HydrophobicContact CD2-CB 4.44Å; L263-R317 HydrophobicContact CG-CB 3.85Å; L263-A318 VanDerWaalsContact CD2-C 3.45Å; L263-G330 VanDerWaalsContact CD1-C 3.48Å; L263-A332 HydrophobicContact CB-CB 4.16Å
264G98.3Very high97.3Very high0 Ų028.7 Ų28.70%014%0.138CC..SBendtrans84.2-155.5-168.400000113.6H283 R317G264-H283 PolarHBondContact N-ND1 3.48Å; G264-H283 WeakPolarHBondContact O-CB 3.46Å; G264-H283 PolarHBondContact O-N 3.2Å; G264-R317 WeakPolarHBondContact CA-O 3.41Å; G264-R317 PolarHBondContact N-O 2.91Å
265D98.1Very high97.4Very high6 Ų634.5 Ų34.53%0.03217%0.166CC..SBendtrans-119.36.7-168.359-5000115.6T247 Q267 P282 K284 V315T247-D265 WeakPolarHBondContact CG2-OD1 3.43Å; D265-Q267 WeakPolarHBondContact O-CG 3.28Å; D265-Q267 PolarHBondContact O-NE2 3.35Å; D265-P282 HydrophobicContact CB-CB 3.89Å; D265-K284 HydrophobicContact CB-CG 4.4Å; D265-V315 HydrophobicContact CB-CG1 4.36Å; D265-V315 VanDerWaalsContact CG-CG1 3.47Å; D265-V315 VanDerWaalsContact OD1-CG1 3.31Å; D265-V315 WeakPolarHBondContact OD1-CG1 3.33Å; D265-V315 WeakPolarHBondContact OD2-CG1 3.29Å
266S98.6Very high97.6Very high0 Ų035.5 Ų35.50%017%0.168CC..  trans-58.3140.3154-70.70000109.6T247T247-S266 PolarHBondContact OG1-OG 3.13Å
267Q98.7Very high97.8Very high43 Ų4330.8 Ų30.820%0.20115%0.154CC..EExtended strand (participates in β ladder)trans-130.9155.7-170.8-69.716593.400112.5D265 M280 P282 L348 A349 W354D265-Q267 WeakPolarHBondContact O-CG 3.28Å; D265-Q267 PolarHBondContact O-NE2 3.35Å; Q267-M280 HydrophobicContact CB-SD 4.36Å; Q267-M280 HydrophobicContact CG-CE 3.93Å; Q267-M280 HydrophobicContact CG-SD 4.36Å; Q267-P282 HydrophobicContact CG-CB 4.06Å; Q267-P282 HydrophobicContact CG-CG 4.33Å; Q267-L348 WeakPolarHBondContact O-CA 3.21Å; Q267-A349 PolarHBondContact N-O 2.91Å; Q267-A349 PolarHBondContact O-N 3.03Å; Q267-W354 HydrophobicContact CB-CD2 4.48Å; Q267-W354 HydrophobicContact CB-CG 4.22Å; Q267-W354 PolarHBondContact O-NE1 2.98Å
268V98.7Very high97.7Very high3 Ų335.2 Ų35.22%0.01817%0.172CC..EExtended strand (participates in β ladder)trans-128.1138.6169.360.80000111V249 T251 V260 L279 M280 L346 I347 L348V249-V268 HydrophobicContact CG2-CB 3.86Å; V249-V268 HydrophobicContact CG2-CG1 3.63Å; T251-V268 HydrophobicContact CG2-CB 4.38Å; T251-V268 HydrophobicContact CG2-CG1 4.35Å; T251-V268 HydrophobicContact CG2-CG2 3.73Å; V260-V268 HydrophobicContact CG1-CG1 3.5Å; V260-V268 VanDerWaalsContact CG1-CG1 3.5Å; V260-V268 HydrophobicContact CG2-CG1 4.4Å; V268-L279 HydrophobicContact CG1-CD1 4.13Å; V268-L279 HydrophobicContact CG2-CD1 4.14Å; V268-M280 HydrophobicContact CG1-CG 4.15Å; V268-M280 HydrophobicContact CG1-SD 4.26Å; V268-L346 HydrophobicContact CG2-CD2 4.28Å; V268-I347 VanDerWaalsContact CA-O 3.25Å; V268-I347 WeakPolarHBondContact CA-O 3.4Å; V268-L348 HydrophobicContact CB-CG 4.06Å; V268-L348 HydrophobicContact CG2-CD1 4.05Å; V268-L348 HydrophobicContact CG2-CG 3.78Å
269I98.6Very high97.7Very high12 Ų1235.7 Ų35.76%0.06218%0.175CC..EExtended strand (participates in β ladder)trans-119.9151166.965.7170.4000110.6V276 L346 I347 W354 P359I269-V276 HydrophobicContact CB-CG1 4.33Å; I269-V276 HydrophobicContact CD1-CG1 4.21Å; I269-V276 HydrophobicContact CD1-CG2 4.48Å; I269-V276 HydrophobicContact CG2-CG1 4.38Å; I269-L346 WeakPolarHBondContact O-CA 3.27Å; I269-I347 HydrophobicContact CD1-CB 4.49Å; I269-I347 HydrophobicContact CD1-CD1 4.24Å; I269-I347 HydrophobicContact CG1-CB 3.93Å; I269-I347 HydrophobicContact CG1-CG1 4.47Å; I269-I347 PolarHBondContact N-O 2.95Å; I269-I347 PolarHBondContact O-N 3.32Å; I269-W354 HydrophobicContact CD1-CH2 3.65Å; I269-W354 HydrophobicContact CD1-CZ3 4.29Å; I269-W354 HydrophobicContact CG1-CH2 3.77Å; I269-W354 HydrophobicContact CG1-CZ2 4.27Å; I269-W354 HydrophobicContact CG2-CH2 4.14Å; I269-W354 HydrophobicContact CG2-CZ2 4.45Å; I269-P359 HydrophobicContact CD1-CB 4.02Å
270L98.7Very high97.7Very high1 Ų135.7 Ų35.71%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-102.1138.7167.1167.766.9000109.1V277 L279 E343 L346 L404L270-V277 HydrophobicContact CB-CB 4.12Å; L270-V277 HydrophobicContact CD2-CB 4.37Å; L270-V277 HydrophobicContact CG-CB 4.33Å; L270-V277 PolarHBondContact N-O 2.91Å; L270-V277 PolarHBondContact O-N 3.4Å; L270-L279 HydrophobicContact CB-CD1 3.8Å; L270-L279 HydrophobicContact CB-CD2 3.88Å; L270-L279 HydrophobicContact CB-CG 4Å; L270-L279 HydrophobicContact CD2-CD2 4.38Å; L270-E343 HydrophobicContact CD1-CB 3.83Å; L270-E343 HydrophobicContact CD1-CG 3.72Å; L270-E343 HydrophobicContact CD2-CG 3.9Å; L270-E343 HydrophobicContact CG-CG 4.32Å; L270-L346 HydrophobicContact CB-CD2 3.87Å; L270-L346 HydrophobicContact CD1-CD2 3.84Å; L270-L346 HydrophobicContact CD1-CG 4.45Å; L270-L346 HydrophobicContact CG-CD2 4.47Å; L270-L404 HydrophobicContact CD1-CD1 4.02Å
271V98.3Very high97.6Very high0 Ų041.6 Ų41.60%020%0.2CC..EExtended strand (participates in β ladder)trans-107.6124168.8-174.50000108.8Q275 D344 Y345 V363V271-Q275 WeakPolarHBondContact CA-O 3.4Å; V271-D344 HydrophobicContact CB-CB 4.46Å; V271-D344 HydrophobicContact CG1-CB 4.36Å; V271-D344 PolarHBondContact O-N 3.26Å; V271-Y345 HydrophobicContact CB-CD2 4Å; V271-Y345 HydrophobicContact CB-CE1 4.22Å; V271-Y345 HydrophobicContact CB-CE2 3.69Å; V271-Y345 HydrophobicContact CB-CG 4.4Å; V271-Y345 HydrophobicContact CG1-CE1 4.13Å; V271-Y345 HydrophobicContact CG1-CE2 4.21Å; V271-Y345 HydrophobicContact CG2-CD2 3.82Å; V271-Y345 HydrophobicContact CG2-CE2 3.28Å; V271-Y345 PolarHBondContact N-O 2.94Å; V271-V363 HydrophobicContact CG1-CG1 4.48Å; V271-V363 HydrophobicContact CG1-CG2 4.32Å; V271-V363 HydrophobicContact CG2-CG2 3.66Å
272R96.4Very high97.5Very high69 Ų6942.8 Ų42.826%0.2621%0.208SC..EExtended strand (participates in β ladder)trans-126.6118.1179-175.4-178.1-75.1160.2-1.9108.7G274 Q275 V277 P338 S342 E343R272-G274 PolarHBondContact O-N 3Å; R272-Q275 PolarHBondContact N-O 2.82Å; R272-Q275 PolarHBondContact O-N 3.01Å; R272-V277 HydrophobicContact CB-CG2 4.02Å; R272-P338 PolarHBondContact NH2-O 3.23Å; R272-S342 WeakPolarHBondContact CD-OG 3.2Å; R272-S342 WeakPolarHBondContact CG-O 3.44Å; R272-S342 WeakPolarHBondContact CG-OG 3.32Å; R272-E343 IonicContact CZ-OE1 3.11Å; R272-E343 IonicContact NE-OE1 2.74Å; R272-E343 PolarHBondContact NE-OE1 3.41Å; R272-E343 IonicContact NH2-OE1 3.37Å; R272-E343 PolarHBondContact NH2-OE1 3.15Å
273R94.4Very high97.5Very high165 Ų16542 Ų4262%0.62321%0.205SC*.THydrogen-bonded Turntrans51.442.4-177.7-53.1176.4-169.4-161-2.7112.6Q275 S342 D344R273-Q275 VanDerWaalsContact C-N 3.27Å; R273-Q275 PolarHBondContact O-N 2.96Å; R273-S342 PolarHBondContact N-O 3.38Å; R273-S342 PolarHBondContact NE-OG 2.94Å; R273-S342 VanDerWaalsContact NE-OG 3.1Å; R273-S342 PolarHBondContact NH2-OG 3.2Å; R273-D344 WeakPolarHBondContact CA-OD2 3.48Å; R273-D344 PolarHBondContact N-OD2 2.99Å
274G94.2Very high97.6Very high45 Ų4545 Ų4546%0.46422%0.218SC..THydrogen-bonded Turntrans74.28.7-179.400000115R272 D344R272-G274 PolarHBondContact O-N 3Å; G274-D344 PolarHBondContact N-OD2 3.38Å
275Q96.8Very high97.5Very high144 Ų14445 Ų4567%0.67322%0.219SC*.EExtended strand (participates in β ladder)trans-112.2141.5178.9-61.2-173.54.900111.5V271 R272 R273V271-Q275 WeakPolarHBondContact CA-O 3.4Å; R272-Q275 PolarHBondContact N-O 2.82Å; R272-Q275 PolarHBondContact O-N 3.01Å; R273-Q275 VanDerWaalsContact C-N 3.27Å; R273-Q275 PolarHBondContact O-N 2.96Å
276V97.9Very high97.5Very high43 Ų4348.2 Ų48.226%0.26124%0.236SC..EExtended strand (participates in β ladder)trans-69.5133.2174.9-178.50000110I269 P359 V363I269-V276 HydrophobicContact CB-CG1 4.33Å; I269-V276 HydrophobicContact CD1-CG1 4.21Å; I269-V276 HydrophobicContact CD1-CG2 4.48Å; I269-V276 HydrophobicContact CG2-CG1 4.38Å; V276-P359 HydrophobicContact CB-CB 4.4Å; V276-P359 HydrophobicContact CG1-CB 3.7Å; V276-P359 HydrophobicContact CG2-CB 3.85Å; V276-V363 HydrophobicContact CG2-CG2 3.52Å
277V98Very high97.4Very high42 Ų4250.3 Ų50.326%0.25524%0.243SC..EExtended strand (participates in β ladder)trans-117.6115.5169.6-177.40000107.8L270 R272 L279L270-V277 HydrophobicContact CB-CB 4.12Å; L270-V277 HydrophobicContact CD2-CB 4.37Å; L270-V277 HydrophobicContact CG-CB 4.33Å; L270-V277 PolarHBondContact N-O 2.91Å; L270-V277 PolarHBondContact O-N 3.4Å; R272-V277 HydrophobicContact CB-CG2 4.02Å; V277-L279 HydrophobicContact CG1-CD2 4.21Å; V277-L279 PolarHBondContact O-N 3.38Å
278E96.3Very high97.4Very high137 Ų13753.8 Ų53.864%0.6426%0.26SS*.EExtended strand (participates in β ladder)trans-69122.8173.7-173.9-176.2-140.600109.4
279L98.1Very high97.4Very high11 Ų1157.3 Ų57.36%0.05828%0.278CS..  trans-104.5-23.8-178.9-60179.4000113L258 V260 V268 L270 V277 F337 L346L258-L279 HydrophobicContact CD2-CD1 4.03Å; V260-L279 HydrophobicContact CG2-CD1 4.06Å; V268-L279 HydrophobicContact CG1-CD1 4.13Å; V268-L279 HydrophobicContact CG2-CD1 4.14Å; L270-L279 HydrophobicContact CB-CD1 3.8Å; L270-L279 HydrophobicContact CB-CD2 3.88Å; L270-L279 HydrophobicContact CB-CG 4Å; L270-L279 HydrophobicContact CD2-CD2 4.38Å; V277-L279 HydrophobicContact CG1-CD2 4.21Å; V277-L279 PolarHBondContact O-N 3.38Å; L279-F337 HydrophobicContact CB-CE2 4.06Å; L279-F337 HydrophobicContact CB-CZ 3.96Å; L279-F337 HydrophobicContact CD2-CD1 3.7Å; L279-F337 HydrophobicContact CD2-CD2 3.96Å; L279-F337 HydrophobicContact CD2-CE1 3.73Å; L279-F337 HydrophobicContact CD2-CE2 3.99Å; L279-F337 HydrophobicContact CD2-CG 3.82Å; L279-F337 HydrophobicContact CD2-CZ 3.9Å; L279-F337 WeakPolarHBondContact O-CZ 3.23Å; L279-L346 HydrophobicContact CD1-CD2 4.1Å
280M97.6Very high97.4Very high11 Ų1156.9 Ų56.95%0.05428%0.276CS..  trans-155.8164.7-168.861.5147.3-72.700111.4V249 W262 Q267 V268 P282V249-M280 HydrophobicContact CG2-SD 4.15Å; W262-M280 HydrophobicContact CB-CE 4.36Å; W262-M280 HydrophobicContact CB-SD 3.93Å; W262-M280 HydrophobicContact CD2-CB 3.67Å; W262-M280 HydrophobicContact CD2-CE 4.03Å; W262-M280 HydrophobicContact CD2-CG 4.42Å; W262-M280 HydrophobicContact CD2-SD 3.91Å; W262-M280 HydrophobicContact CE3-CB 3.69Å; W262-M280 HydrophobicContact CE3-SD 4.46Å; W262-M280 HydrophobicContact CG-CB 4.4Å; W262-M280 HydrophobicContact CG-CE 3.63Å; W262-M280 HydrophobicContact CG-SD 3.63Å; W262-M280 HydrophobicContact CH2-CB 3.69Å; W262-M280 HydrophobicContact CZ2-CB 3.68Å; W262-M280 HydrophobicContact CZ3-CB 3.68Å; Q267-M280 HydrophobicContact CB-SD 4.36Å; Q267-M280 HydrophobicContact CG-CE 3.93Å; Q267-M280 HydrophobicContact CG-SD 4.36Å; V268-M280 HydrophobicContact CG1-CG 4.15Å; V268-M280 HydrophobicContact CG1-SD 4.26Å; M280-P282 HydrophobicContact CE-CB 4.24Å
281K97.6Very high97.3Very high124 Ų12459.9 Ų59.954%0.53929%0.289SS..  trans-120.3125.7171.5-67.7-175.7178.4-178.30109.9W262 R287W262-K281 PolarHBondContact NE1-O 2.84Å; K281-R287 PolarHBondContact O-NH1 3.27Å
282P97.9Very high97.3Very high26 Ų2665 Ų6517%0.16931%0.313CS..  trans-61.6150.4-177.525.8-34.4000111.6D265 Q267 M280 K284 R287D265-P282 HydrophobicContact CB-CB 3.89Å; Q267-P282 HydrophobicContact CG-CB 4.06Å; Q267-P282 HydrophobicContact CG-CG 4.33Å; M280-P282 HydrophobicContact CE-CB 4.24Å; P282-K284 VanDerWaalsContact C-N 3.29Å; P282-K284 HydrophobicContact CB-CG 4.25Å; P282-K284 HydrophobicContact CG-CG 4.31Å; P282-K284 PolarHBondContact O-N 3.4Å; P282-R287 WeakPolarHBondContact O-CD 3.46Å
283H98.4Very high97.4Very high0 Ų064.5 Ų64.50%031%0.311CS..  trans-83.371.4177.2-67.5116.2000110.9W262 G264 R287 S316 R317 D333W262-H283 AromaticContact CD1-CE1 3.4Å; W262-H283 AromaticContact CD1-ND1 3.44Å; W262-H283 AromaticContact NE1-CE1 3.22Å; W262-H283 PolarHBondContact NE1-CE1 2.9Å; W262-H283 AromaticContact NE1-ND1 3.58Å; W262-H283 AromaticContact NE1-NE2 3.81Å; W262-H283 PolarHBondContact O-CE1 3Å; G264-H283 PolarHBondContact N-ND1 3.48Å; G264-H283 WeakPolarHBondContact O-CB 3.46Å; G264-H283 PolarHBondContact O-N 3.2Å; H283-R287 VanDerWaalsContact CD2-CZ 3.49Å; H283-R287 PolarHBondContact CD2-NH1 3Å; H283-R287 PolarHBondContact CD2-NH2 2.94Å; H283-R287 PolarHBondContact NE2-NH1 3.26Å; H283-S316 WeakPolarHBondContact CB-OG 3.49Å; H283-S316 PolarHBondContact O-N 3.48Å; H283-S316 PolarHBondContact O-OG 3.34Å; H283-R317 HydrophobicContact CB-CB 4.22Å; H283-R317 HydrophobicContact CB-CG 4.09Å; H283-R317 PolarHBondContact CD2-NE 3.11Å; H283-R317 VanDerWaalsContact NE2-CZ 3.34Å; H283-D333 IonicContact CE1-OD2 3.84Å; H283-D333 VanDerWaalsContact NE2-CG 3.3Å; H283-D333 IonicContact NE2-OD1 3.67Å; H283-D333 IonicContact NE2-OD2 3.71Å; H283-D333 PolarHBondContact NE2-OD2 3.12Å
284K97.2Very high97.6Very high62 Ų6256.6 Ų56.627%0.2728%0.282SS..  trans-88.4142.7174.6-61.2-157173.8-164.90110.8D265 P282 D286 R287 D355D265-K284 HydrophobicContact CB-CG 4.4Å; P282-K284 VanDerWaalsContact C-N 3.29Å; P282-K284 HydrophobicContact CB-CG 4.25Å; P282-K284 HydrophobicContact CG-CG 4.31Å; P282-K284 PolarHBondContact O-N 3.4Å; K284-D286 WeakPolarHBondContact CB-OD1 3.49Å; K284-D286 PolarHBondContact O-N 3.28Å; K284-D286 VanDerWaalsContact O-N 3.11Å; K284-R287 VanDerWaalsContact O-CB 3.23Å; K284-R287 WeakPolarHBondContact O-CB 3.15Å; K284-R287 PolarHBondContact O-N 2.83Å; K284-D355 IonicContact NZ-OD1 3.25Å; K284-D355 PolarHBondContact NZ-OD1 2.93Å
285P97.8Very high97.8Very high1 Ų158.9 Ų58.91%0.00628%0.28CS..THydrogen-bonded Turntrans-57.8-25.8-177.5-29.437.3000115.2K291 V301 W307 V309 S314P285-K291 WeakPolarHBondContact O-CB 3.37Å; P285-V301 HydrophobicContact CB-CG1 3.8Å; P285-V301 HydrophobicContact CB-CG2 4.23Å; P285-V301 WeakPolarHBondContact O-CG1 3.48Å; P285-V301 WeakPolarHBondContact O-CG2 3.28Å; P285-W307 HydrophobicContact CB-CB 4.17Å; P285-V309 HydrophobicContact CB-CG2 3.92Å; P285-V309 HydrophobicContact CG-CG2 3.74Å; P285-S314 WeakPolarHBondContact CD-O 3.36Å
286D96.7Very high97.9Very high73 Ų7356.3 Ų56.339%0.3928%0.283SS..THydrogen-bonded Turntrans-87.5-1.6177.563.4-43.3000114.7K284 E288 W307K284-D286 WeakPolarHBondContact CB-OD1 3.49Å; K284-D286 PolarHBondContact O-N 3.28Å; K284-D286 VanDerWaalsContact O-N 3.11Å; D286-E288 PolarHBondContact O-N 3.4Å; D286-W307 HydrophobicContact CB-CB 4.07Å; D286-W307 HydrophobicContact CB-CD2 3.78Å; D286-W307 HydrophobicContact CB-CG 3.5Å; D286-W307 VanDerWaalsContact OD2-CD1 3.23Å; D286-W307 PolarHBondContact OD2-NE1 3.18Å
287R97.7Very high97.9Very high44 Ų4458 Ų5817%0.16629%0.291CS..SBendtrans-62.7126.6168.7-156.1178.982.3-179.16.4108.2K281 P282 H283 K284 D289 E290 K291 D333K281-R287 PolarHBondContact O-NH1 3.27Å; P282-R287 WeakPolarHBondContact O-CD 3.46Å; H283-R287 VanDerWaalsContact CD2-CZ 3.49Å; H283-R287 PolarHBondContact CD2-NH1 3Å; H283-R287 PolarHBondContact CD2-NH2 2.94Å; H283-R287 PolarHBondContact NE2-NH1 3.26Å; K284-R287 VanDerWaalsContact O-CB 3.23Å; K284-R287 WeakPolarHBondContact O-CB 3.15Å; K284-R287 PolarHBondContact O-N 2.83Å; R287-D289 VanDerWaalsContact C-N 3.33Å; R287-D289 VanDerWaalsContact CG-OD1 3.22Å; R287-D289 WeakPolarHBondContact CG-OD1 3.4Å; R287-D289 IonicContact CZ-OD1 3.26Å; R287-D289 IonicContact CZ-OD2 3.7Å; R287-D289 IonicContact NE-OD1 3.55Å; R287-D289 PolarHBondContact NE-OD1 3.03Å; R287-D289 IonicContact NE-OD2 3.2Å; R287-D289 PolarHBondContact NE-OD2 3.08Å; R287-D289 IonicContact NH2-OD1 2.76Å; R287-D289 IonicContact NH2-OD2 3.63Å; R287-D289 PolarHBondContact NH2-OD2 3.33Å; R287-D289 PolarHBondContact O-N 3.41Å; R287-E290 HydrophobicContact CB-CB 4.19Å; R287-E290 HydrophobicContact CB-CG 4.22Å; R287-E290 IonicContact NH2-OE1 3.68Å; R287-E290 PolarHBondContact O-N 3.28Å; R287-K291 WeakPolarHBondContact O-CB 3.47Å; R287-K291 PolarHBondContact O-N 3.43Å; R287-D333 IonicContact CZ-OD2 2.77Å; R287-D333 IonicContact NH1-OD2 3.68Å; R287-D333 IonicContact NH2-OD2 3.28Å; R287-D333 PolarHBondContact NH2-OD2 3.35Å
288E98.1Very high97.9Very high117 Ų11759 Ų5955%0.54731%0.31SS..Hα-helixtrans-56.8-42.1-165.3-174.759.8-150.100113.6D286 Q292D286-E288 PolarHBondContact O-N 3.4Å; E288-Q292 WeakPolarHBondContact O-CB 3.39Å; E288-Q292 WeakPolarHBondContact O-CG 3.12Å; E288-Q292 PolarHBondContact O-N 2.83Å; E288-Q292 PolarHBondContact OE1-NE2 3.13Å
289D97.9Very high98Very high76 Ų7653 Ų5341%0.40628%0.284SS..Hα-helixtrans-66.9-41.3176.261.8-35.5000112.6R287 Q292 R293R287-D289 VanDerWaalsContact C-N 3.33Å; R287-D289 VanDerWaalsContact CG-OD1 3.22Å; R287-D289 WeakPolarHBondContact CG-OD1 3.4Å; R287-D289 IonicContact CZ-OD1 3.26Å; R287-D289 IonicContact CZ-OD2 3.7Å; R287-D289 IonicContact NE-OD1 3.55Å; R287-D289 PolarHBondContact NE-OD1 3.03Å; R287-D289 IonicContact NE-OD2 3.2Å; R287-D289 PolarHBondContact NE-OD2 3.08Å; R287-D289 IonicContact NH2-OD1 2.76Å; R287-D289 IonicContact NH2-OD2 3.63Å; R287-D289 PolarHBondContact NH2-OD2 3.33Å; R287-D289 PolarHBondContact O-N 3.41Å; D289-Q292 PolarHBondContact O-N 3.05Å; D289-R293 WeakPolarHBondContact O-CB 3.1Å; D289-R293 PolarHBondContact O-N 3.39Å
290E98.4Very high97.9Very high3 Ų355 Ų551%0.01430%0.298CS..Hα-helixtrans-67-43.7177.1-69.5-61.9109.100111.8R287 R293 I294 S316 R317R287-E290 HydrophobicContact CB-CB 4.19Å; R287-E290 HydrophobicContact CB-CG 4.22Å; R287-E290 IonicContact NH2-OE1 3.68Å; R287-E290 PolarHBondContact O-N 3.28Å; E290-R293 WeakPolarHBondContact O-CB 3.46Å; E290-R293 PolarHBondContact O-N 3.02Å; E290-R293 IonicContact OE1-NE 2.75Å; E290-R293 IonicContact OE2-CZ 3.06Å; E290-R293 IonicContact OE2-NE 2.86Å; E290-R293 PolarHBondContact OE2-NE 2.95Å; E290-R293 IonicContact OE2-NH2 2.75Å; E290-R293 PolarHBondContact OE2-NH2 2.92Å; E290-I294 WeakPolarHBondContact O-CD1 3.4Å; E290-I294 VanDerWaalsContact O-CG1 3.24Å; E290-I294 WeakPolarHBondContact O-CG1 3.22Å; E290-I294 PolarHBondContact O-N 3.44Å; E290-S316 VanDerWaalsContact CD-OG 3.31Å; E290-S316 VanDerWaalsContact CG-OG 3.29Å; E290-S316 WeakPolarHBondContact CG-OG 3.33Å; E290-S316 VanDerWaalsContact OE2-CB 3.26Å; E290-S316 WeakPolarHBondContact OE2-CB 3.39Å; E290-S316 PolarHBondContact OE2-OG 2.72Å; E290-R317 VanDerWaalsContact CD-NE 3.34Å; E290-R317 IonicContact OE1-CZ 3.67Å; E290-R317 VanDerWaalsContact OE1-CZ 3.28Å; E290-R317 IonicContact OE1-NE 3.45Å; E290-R317 PolarHBondContact OE1-NE 3.04Å; E290-R317 IonicContact OE1-NH2 2.97Å; E290-R317 PolarHBondContact OE1-NH2 3.28Å; E290-R317 VanDerWaalsContact OE2-CG 3.32Å; E290-R317 WeakPolarHBondContact OE2-CG 3Å; E290-R317 IonicContact OE2-NE 3.33Å; E290-R317 PolarHBondContact OE2-NE 3.04Å; E290-R317 VanDerWaalsContact OE2-NE 3.14Å
291K98.3Very high97.9Very high65 Ų6555.3 Ų55.328%0.28330%0.301SS..Hα-helixtrans-58.4-49.6175-179.5178173.9-172.20111.1P285 R287 R293 I294 E295 V301P285-K291 WeakPolarHBondContact O-CB 3.37Å; R287-K291 WeakPolarHBondContact O-CB 3.47Å; R287-K291 PolarHBondContact O-N 3.43Å; K291-R293 VanDerWaalsContact C-N 3.32Å; K291-R293 PolarHBondContact O-N 3.12Å; K291-I294 PolarHBondContact O-N 3.21Å; K291-E295 WeakPolarHBondContact CE-OE1 3.47Å; K291-E295 HydrophobicContact CG-CG 4.41Å; K291-E295 WeakPolarHBondContact O-CB 3.38Å; K291-E295 WeakPolarHBondContact O-CG 3.43Å; K291-E295 PolarHBondContact O-N 2.97Å; K291-V301 HydrophobicContact CB-CG2 4.28Å; K291-V301 HydrophobicContact CG-CB 4.24Å; K291-V301 HydrophobicContact CG-CG2 3.94Å
292Q98.4Very high97.9Very high108 Ų10853 Ų5351%0.50529%0.294SS..Hα-helixtrans-59.9-42.4177.5-74.2174.72000111.7E288 D289 E295 A296E288-Q292 WeakPolarHBondContact O-CB 3.39Å; E288-Q292 WeakPolarHBondContact O-CG 3.12Å; E288-Q292 PolarHBondContact O-N 2.83Å; E288-Q292 PolarHBondContact OE1-NE2 3.13Å; D289-Q292 PolarHBondContact O-N 3.05Å; Q292-E295 PolarHBondContact O-N 3.36Å; Q292-A296 WeakPolarHBondContact O-CB 3.45Å; Q292-A296 PolarHBondContact O-N 2.92Å
293R98.3Very high97.8Very high57 Ų5759.1 Ų59.122%0.21531%0.314CS..Hα-helixtrans-60-46.9175.5-176.6-172.363.272.80.7111.6D289 E290 K291 A296 L297 S316 P326 Y327D289-R293 WeakPolarHBondContact O-CB 3.1Å; D289-R293 PolarHBondContact O-N 3.39Å; E290-R293 WeakPolarHBondContact O-CB 3.46Å; E290-R293 PolarHBondContact O-N 3.02Å; E290-R293 IonicContact OE1-NE 2.75Å; E290-R293 IonicContact OE2-CZ 3.06Å; E290-R293 IonicContact OE2-NE 2.86Å; E290-R293 PolarHBondContact OE2-NE 2.95Å; E290-R293 IonicContact OE2-NH2 2.75Å; E290-R293 PolarHBondContact OE2-NH2 2.92Å; K291-R293 VanDerWaalsContact C-N 3.32Å; K291-R293 PolarHBondContact O-N 3.12Å; R293-A296 PolarHBondContact O-N 3.06Å; R293-L297 HydrophobicContact CG-CD1 4.49Å; R293-L297 WeakPolarHBondContact O-CG 3.32Å; R293-L297 PolarHBondContact O-N 3.17Å; R293-S316 PolarHBondContact NH2-O 2.82Å; R293-P326 PolarHBondContact NH1-O 3.04Å; R293-Y327 PolarHBondContact NH1-O 2.88Å; R293-Y327 PolarHBondContact NH2-O 3.41Å
294I98.6Very high97.4Very high0 Ų066.7 Ų66.70%035%0.347CS..Hα-helixtrans-63.4-47179.8-69.6158.6000110.9E290 K291 L297 G298 G299 V301 V309E290-I294 WeakPolarHBondContact O-CD1 3.4Å; E290-I294 VanDerWaalsContact O-CG1 3.24Å; E290-I294 WeakPolarHBondContact O-CG1 3.22Å; E290-I294 PolarHBondContact O-N 3.44Å; K291-I294 PolarHBondContact O-N 3.21Å; I294-L297 PolarHBondContact O-N 3.08Å; I294-G298 PolarHBondContact O-N 3.34Å; I294-G299 WeakPolarHBondContact O-CA 3.37Å; I294-G299 PolarHBondContact O-N 2.78Å; I294-V301 HydrophobicContact CB-CG2 4.44Å; I294-V301 HydrophobicContact CD1-CG2 4.01Å; I294-V301 HydrophobicContact CG2-CG2 4.23Å; I294-V309 HydrophobicContact CD1-CG1 4.26Å; I294-V309 HydrophobicContact CD1-CG2 3.6Å; I294-V309 HydrophobicContact CG1-CG1 4.42Å; I294-V309 HydrophobicContact CG2-CG1 3.99Å
295E98.1Very high97Very high92 Ų9267 Ų6743%0.4337%0.368SS..Hα-helixtrans-66.7-36.8-179.6-70.8178171.100111.9K291 Q292 L297 G298K291-E295 WeakPolarHBondContact CE-OE1 3.47Å; K291-E295 HydrophobicContact CG-CG 4.41Å; K291-E295 WeakPolarHBondContact O-CB 3.38Å; K291-E295 WeakPolarHBondContact O-CG 3.43Å; K291-E295 PolarHBondContact O-N 2.97Å; Q292-E295 PolarHBondContact O-N 3.36Å; E295-L297 PolarHBondContact O-N 2.77Å; E295-G298 PolarHBondContact O-N 3.31Å
296A98.4Very high96.8Very high90 Ų9069.4 Ų69.474%0.74438%0.382SS*.Hα-helixtrans-64.2-27.1174.500000113.1Q292 R293 G298Q292-A296 WeakPolarHBondContact O-CB 3.45Å; Q292-A296 PolarHBondContact O-N 2.92Å; R293-A296 PolarHBondContact O-N 3.06Å; A296-G298 VanDerWaalsContact C-N 3.25Å
297L98.1Very high96.8Very high80 Ų8070 Ų7042%0.41938%0.379SS..THydrogen-bonded Turntrans-82.4-0.5173.1-67169.4000113R293 I294 E295 P326 Y327R293-L297 HydrophobicContact CG-CD1 4.49Å; R293-L297 WeakPolarHBondContact O-CG 3.32Å; R293-L297 PolarHBondContact O-N 3.17Å; I294-L297 PolarHBondContact O-N 3.08Å; E295-L297 PolarHBondContact O-N 2.77Å; L297-P326 HydrophobicContact CD1-CB 4.29Å; L297-P326 HydrophobicContact CD1-CG 4.3Å; L297-P326 WeakPolarHBondContact CD1-O 3.45Å; L297-P326 HydrophobicContact CD2-CG 4.33Å; L297-Y327 HydrophobicContact CB-CD1 3.97Å; L297-Y327 HydrophobicContact CB-CE1 4.01Å; L297-Y327 WeakPolarHBondContact O-CE1 3.31Å
298G97.9Very high96.8Very high63 Ų6371 Ų7165%0.64938%0.383SS*.THydrogen-bonded Turntrans86.29.5-177.100000114.5I294 E295 A296I294-G298 PolarHBondContact O-N 3.34Å; E295-G298 PolarHBondContact O-N 3.31Å; A296-G298 VanDerWaalsContact C-N 3.25Å
299G97.6Very high96.8Very high10 Ų1065.5 Ų65.510%0.10336%0.357CS..  trans-83.4-176.2172.800000112.1I294 N310 Y327I294-G299 WeakPolarHBondContact O-CA 3.37Å; I294-G299 PolarHBondContact O-N 2.78Å; G299-N310 VanDerWaalsContact CA-OD1 3.31Å; G299-N310 WeakPolarHBondContact CA-OD1 3.27Å; G299-Y327 VanDerWaalsContact CA-CE1 3.5Å; G299-Y327 VanDerWaalsContact N-CE1 3.28Å
300C96.9Very high96.8Very high52 Ų5264.6 Ų64.635%0.35135%0.352SS..  trans-143.7155.6175.158.80000111.8I302 N310C300-I302 HydrophobicContact CB-CG1 4.5Å; C300-N310 PolarHBondContact N-OD1 3.4Å; C300-N310 PolarHBondContact O-N 3.42Å
301V97.8Very high96.6Very high18 Ų1866 Ų6611%0.10937%0.368CS..EExtended strand (participates in β ladder)trans-111.8116.6174.7176.20000108.5P285 K291 I294 W307P285-V301 HydrophobicContact CB-CG1 3.8Å; P285-V301 HydrophobicContact CB-CG2 4.23Å; P285-V301 WeakPolarHBondContact O-CG1 3.48Å; P285-V301 WeakPolarHBondContact O-CG2 3.28Å; K291-V301 HydrophobicContact CB-CG2 4.28Å; K291-V301 HydrophobicContact CG-CB 4.24Å; K291-V301 HydrophobicContact CG-CG2 3.94Å; I294-V301 HydrophobicContact CB-CG2 4.44Å; I294-V301 HydrophobicContact CD1-CG2 4.01Å; I294-V301 HydrophobicContact CG2-CG2 4.23Å; V301-W307 HydrophobicContact CG1-CB 4.34Å; V301-W307 HydrophobicContact CG1-CD2 4.37Å; V301-W307 HydrophobicContact CG1-CE3 3.69Å; V301-W307 HydrophobicContact CG1-CZ3 4.34Å
302I96.8Very high96.4Very high76 Ų7665.7 Ų65.739%0.3937%0.374SS..EExtended strand (participates in β ladder)trans-119.3134.6-171.5-57.6173.7000109.6C300 R308C300-I302 HydrophobicContact CB-CG1 4.5Å; I302-R308 PolarHBondContact N-O 3.14Å; I302-R308 PolarHBondContact O-N 3.45Å
303W95.4Very high96.3Very high155 Ų15561.7 Ų61.759%0.58736%0.356SS*.EExtended strand (participates in β ladder)trans-81115.7170.8179.3-96.5000111G305 W307W303-G305 WeakPolarHBondContact CZ2-O 3.23Å; W303-W307 HydrophobicContact CB-CD2 4.39Å; W303-W307 HydrophobicContact CB-CE3 3.9Å; W303-W307 HydrophobicContact CB-CH2 4.2Å; W303-W307 HydrophobicContact CB-CZ3 3.81Å; W303-W307 AromaticContact CE3-CD1 3.65Å; W303-W307 AromaticContact CE3-CD2 3.63Å; W303-W307 HydrophobicContact CE3-CD2 3.63Å; W303-W307 AromaticContact CE3-CE2 3.55Å; W303-W307 HydrophobicContact CE3-CE3 4.3Å; W303-W307 AromaticContact CE3-CG 3.72Å; W303-W307 HydrophobicContact CE3-CG 3.72Å; W303-W307 HydrophobicContact CE3-CZ2 4.18Å; W303-W307 AromaticContact CE3-NE1 3.57Å; W303-W307 AromaticContact CZ3-CD1 3.6Å; W303-W307 HydrophobicContact CZ3-CD2 4.36Å; W303-W307 HydrophobicContact CZ3-CG 4.09Å; W303-W307 AromaticContact CZ3-NE1 3.61Å
304F90.4Very high96.2Very high159 Ų15960.8 Ų60.870%0.69736%0.358SS*.SBendtrans-142.780.2172.4-168.3-108.8000110.4T306F304-T306 CarbonylContact C-O 3.56Å; F304-T306 PolarHBondContact N-O 3.22Å; F304-T306 PolarHBondContact O-N 3.03Å
305G89.6Confident96.2Very high69 Ų6961 Ų6171%0.71136%0.359SS*.SBendtrans75-38.2-170.300000113.3W303W303-G305 WeakPolarHBondContact CZ2-O 3.23Å
306T93.4Very high96.2Very high50 Ų5056.6 Ų56.631%0.30734%0.339SS..SBendtrans-141167.5167.5-173.90000108.7F304 R308F304-T306 CarbonylContact C-O 3.56Å; F304-T306 PolarHBondContact N-O 3.22Å; F304-T306 PolarHBondContact O-N 3.03Å; T306-R308 HydrophobicContact CG2-CG 4.08Å
307W97.1Very high96.2Very high85 Ų8553.4 Ų53.432%0.32231%0.307SS..EExtended strand (participates in β ladder)trans-70.2132174.6-67.7111000110.8P285 D286 V301 W303 S314P285-W307 HydrophobicContact CB-CB 4.17Å; D286-W307 HydrophobicContact CB-CB 4.07Å; D286-W307 HydrophobicContact CB-CD2 3.78Å; D286-W307 HydrophobicContact CB-CG 3.5Å; D286-W307 VanDerWaalsContact OD2-CD1 3.23Å; D286-W307 PolarHBondContact OD2-NE1 3.18Å; V301-W307 HydrophobicContact CG1-CB 4.34Å; V301-W307 HydrophobicContact CG1-CD2 4.37Å; V301-W307 HydrophobicContact CG1-CE3 3.69Å; V301-W307 HydrophobicContact CG1-CZ3 4.34Å; W303-W307 HydrophobicContact CB-CD2 4.39Å; W303-W307 HydrophobicContact CB-CE3 3.9Å; W303-W307 HydrophobicContact CB-CH2 4.2Å; W303-W307 HydrophobicContact CB-CZ3 3.81Å; W303-W307 AromaticContact CE3-CD1 3.65Å; W303-W307 AromaticContact CE3-CD2 3.63Å; W303-W307 HydrophobicContact CE3-CD2 3.63Å; W303-W307 AromaticContact CE3-CE2 3.55Å; W303-W307 HydrophobicContact CE3-CE3 4.3Å; W303-W307 AromaticContact CE3-CG 3.72Å; W303-W307 HydrophobicContact CE3-CG 3.72Å; W303-W307 HydrophobicContact CE3-CZ2 4.18Å; W303-W307 AromaticContact CE3-NE1 3.57Å; W303-W307 AromaticContact CZ3-CD1 3.6Å; W303-W307 HydrophobicContact CZ3-CD2 4.36Å; W303-W307 HydrophobicContact CZ3-CG 4.09Å; W303-W307 AromaticContact CZ3-NE1 3.61Å; W307-S314 WeakPolarHBondContact O-CA 3.47Å
308R98Very high96.2Very high67 Ų6749.6 Ų49.625%0.25329%0.287SS..EExtended strand (participates in β ladder)trans-135.2138.7-175.6-64.7179.6-179.8-79.9-9.3112.7I302 T306 N310 S312 L313I302-R308 PolarHBondContact N-O 3.14Å; I302-R308 PolarHBondContact O-N 3.45Å; T306-R308 HydrophobicContact CG2-CG 4.08Å; R308-N310 PolarHBondContact O-N 2.92Å; R308-S312 PolarHBondContact NH1-O 2.97Å; R308-L313 CarbonylContact C-O 3.44Å; R308-L313 WeakPolarHBondContact CA-O 3.41Å
309V97.8Very high96.3Very high1 Ų146.6 Ų46.61%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-72.6121.2171.1-174.60000109.3P285 I294 G311 S312 L313 V315 I328P285-V309 HydrophobicContact CB-CG2 3.92Å; P285-V309 HydrophobicContact CG-CG2 3.74Å; I294-V309 HydrophobicContact CD1-CG1 4.26Å; I294-V309 HydrophobicContact CD1-CG2 3.6Å; I294-V309 HydrophobicContact CG1-CG1 4.42Å; I294-V309 HydrophobicContact CG2-CG1 3.99Å; V309-G311 PolarHBondContact O-N 2.78Å; V309-S312 PolarHBondContact O-N 3.27Å; V309-L313 PolarHBondContact N-O 3.29Å; V309-V315 WeakPolarHBondContact CG2-O 3.24Å; V309-I328 HydrophobicContact CB-CD1 3.95Å; V309-I328 HydrophobicContact CG1-CD1 4.11Å; V309-I328 HydrophobicContact CG2-CD1 3.71Å
310N96.6Very high96.3Very high57 Ų5746.1 Ų46.131%0.30525%0.252SS..THydrogen-bonded Turntrans50.926-175.5-61.3-26.6000113.7G299 C300 R308 S312 Y327G299-N310 VanDerWaalsContact CA-OD1 3.31Å; G299-N310 WeakPolarHBondContact CA-OD1 3.27Å; C300-N310 PolarHBondContact N-OD1 3.4Å; C300-N310 PolarHBondContact O-N 3.42Å; R308-N310 PolarHBondContact O-N 2.92Å; N310-S312 VanDerWaalsContact C-N 3.25Å; N310-S312 PolarHBondContact O-N 2.83Å; N310-Y327 WeakPolarHBondContact ND2-CD2 3.36Å; N310-Y327 WeakPolarHBondContact ND2-CE2 3.25Å
311G94.9Very high96.4Very high33 Ų3343.9 Ų43.934%0.3424%0.236SC..THydrogen-bonded Turntrans75.13.9-176.300000115.4V309V309-G311 PolarHBondContact O-N 2.78Å
312S94.6Very high96.3Very high58 Ų5845.1 Ų45.141%0.40625%0.246SC..THydrogen-bonded Turntrans-102.8-70-175.6-56.10000113R308 V309 N310 H324R308-S312 PolarHBondContact NH1-O 2.97Å; V309-S312 PolarHBondContact O-N 3.27Å; N310-S312 VanDerWaalsContact C-N 3.25Å; N310-S312 PolarHBondContact O-N 2.83Å; S312-H324 VanDerWaalsContact CB-CE1 3.44Å; S312-H324 WeakPolarHBondContact CB-CE1 3.41Å
313L96.4Very high96.2Very high24 Ų2446.7 Ų46.713%0.12625%0.251CS..BIsolated β-bridgetrans-99.6138.6-169.2-68.2171.9000112R308 V309 V315 D321 H324 I328R308-L313 CarbonylContact C-O 3.44Å; R308-L313 WeakPolarHBondContact CA-O 3.41Å; V309-L313 PolarHBondContact N-O 3.29Å; L313-V315 VanDerWaalsContact C-N 3.31Å; L313-D321 HydrophobicContact CD1-CB 4.07Å; L313-H324 HydrophobicContact CD1-CB 3.97Å; L313-H324 WeakPolarHBondContact CD1-CD2 3.44Å; L313-I328 HydrophobicContact CB-CD1 4.37Å; L313-I328 HydrophobicContact CD1-CD1 4.24Å; L313-I328 HydrophobicContact CD1-CG1 3.76Å
314S96.6Very high96.3Very high37 Ų3741.3 Ų41.326%0.25923%0.233SC..SBendtrans-86.83.3179.544.70000114.5P285 W307P285-S314 WeakPolarHBondContact CD-O 3.36Å; W307-S314 WeakPolarHBondContact O-CA 3.47Å
315V97.8Very high96.6Very high5 Ų536.3 Ų36.33%0.0321%0.211CC..  trans-114.2154.2172.6-65.70000109.7T247 D265 V309 L313 A318 I328T247-V315 HydrophobicContact CG2-CG1 4.02Å; D265-V315 HydrophobicContact CB-CG1 4.36Å; D265-V315 VanDerWaalsContact CG-CG1 3.47Å; D265-V315 VanDerWaalsContact OD1-CG1 3.31Å; D265-V315 WeakPolarHBondContact OD1-CG1 3.33Å; D265-V315 WeakPolarHBondContact OD2-CG1 3.29Å; V309-V315 WeakPolarHBondContact CG2-O 3.24Å; L313-V315 VanDerWaalsContact C-N 3.31Å; V315-A318 HydrophobicContact CG2-CB 4.44Å; V315-I328 WeakPolarHBondContact O-CD1 3.48Å
316S98.3Very high96.9Very high0 Ų036.5 Ų36.50%020%0.2CC..SBendtrans-101-14176680000114.1H283 E290 R293 I328H283-S316 WeakPolarHBondContact CB-OG 3.49Å; H283-S316 PolarHBondContact O-N 3.48Å; H283-S316 PolarHBondContact O-OG 3.34Å; E290-S316 VanDerWaalsContact CD-OG 3.31Å; E290-S316 VanDerWaalsContact CG-OG 3.29Å; E290-S316 WeakPolarHBondContact CG-OG 3.33Å; E290-S316 VanDerWaalsContact OE2-CB 3.26Å; E290-S316 WeakPolarHBondContact OE2-CB 3.39Å; E290-S316 PolarHBondContact OE2-OG 2.72Å; R293-S316 PolarHBondContact NH2-O 2.82Å; S316-I328 WeakPolarHBondContact O-CA 3.19Å
317R98.7Very high97.1Very high22 Ų2237.1 Ų37.18%0.08320%0.197CC..BIsolated β-bridgetrans-139138.7178.2-51.4-162.7-170.9170.412.6109.8L263 G264 H283 E290 C329 D331 D333L263-R317 HydrophobicContact CD1-CB 4.48Å; L263-R317 HydrophobicContact CD2-CB 4.44Å; L263-R317 HydrophobicContact CG-CB 3.85Å; G264-R317 WeakPolarHBondContact CA-O 3.41Å; G264-R317 PolarHBondContact N-O 2.91Å; H283-R317 HydrophobicContact CB-CB 4.22Å; H283-R317 HydrophobicContact CB-CG 4.09Å; H283-R317 PolarHBondContact CD2-NE 3.11Å; H283-R317 VanDerWaalsContact NE2-CZ 3.34Å; E290-R317 VanDerWaalsContact CD-NE 3.34Å; E290-R317 IonicContact OE1-CZ 3.67Å; E290-R317 VanDerWaalsContact OE1-CZ 3.28Å; E290-R317 IonicContact OE1-NE 3.45Å; E290-R317 PolarHBondContact OE1-NE 3.04Å; E290-R317 IonicContact OE1-NH2 2.97Å; E290-R317 PolarHBondContact OE1-NH2 3.28Å; E290-R317 VanDerWaalsContact OE2-CG 3.32Å; E290-R317 WeakPolarHBondContact OE2-CG 3Å; E290-R317 IonicContact OE2-NE 3.33Å; E290-R317 PolarHBondContact OE2-NE 3.04Å; E290-R317 VanDerWaalsContact OE2-NE 3.14Å; R317-C329 VanDerWaalsContact CA-O 3.29Å; R317-C329 WeakPolarHBondContact CA-O 3.49Å; R317-C329 WeakPolarHBondContact CB-O 3.44Å; R317-C329 VanDerWaalsContact CD-SG 3.59Å; R317-D331 WeakPolarHBondContact CD-O 3.32Å; R317-D331 PolarHBondContact NH1-O 2.81Å; R317-D333 IonicContact CZ-OD1 2.72Å; R317-D333 IonicContact NH1-OD1 3.14Å; R317-D333 PolarHBondContact NH1-OD1 3.17Å; R317-D333 IonicContact NH2-OD1 3.04Å; R317-D333 PolarHBondContact NH2-OD1 2.74Å; R317-D333 IonicContact NH2-OD2 3.67Å
318A98.6Very high97.2Very high0 Ų033 Ų330%018%0.181CC..  trans-157.5148.4-176.600000111L263 V315 D321 I328 C329L263-A318 VanDerWaalsContact CD2-C 3.45Å; V315-A318 HydrophobicContact CG2-CB 4.44Å; A318-D321 WeakPolarHBondContact CB-OD2 3.46Å; A318-I328 HydrophobicContact CB-CG2 3.49Å; A318-I328 VanDerWaalsContact CB-CG2 3.49Å; A318-C329 PolarHBondContact N-O 3.14Å; A318-C329 VanDerWaalsContact N-O 3.11Å
319I98.8Very high97.1Very high0 Ų030.6 Ų30.60%017%0.174CC..EExtended strand (participates in β ladder)trans-76.6134.1160.2-71.7171.3000106A200 L204 F226 T229 D230 F233 G245 T246A200-I319 HydrophobicContact CB-CD1 3.95Å; L204-I319 HydrophobicContact CD1-CD1 4.11Å; F226-I319 HydrophobicContact CD1-CD1 3.92Å; F226-I319 HydrophobicContact CD1-CG1 4.4Å; F226-I319 HydrophobicContact CE1-CD1 4.24Å; T229-I319 HydrophobicContact CG2-CD1 4.02Å; D230-I319 HydrophobicContact CB-CG1 4.3Å; D230-I319 WeakPolarHBondContact OD1-CA 3.38Å; F233-I319 HydrophobicContact CB-CG2 4.14Å; F233-I319 HydrophobicContact CD1-CG2 4.17Å; F233-I319 HydrophobicContact CG-CG2 4.34Å; G245-I319 CarbonylContact C-O 3.41Å; G245-I319 WeakPolarHBondContact CA-O 3.05Å; T246-I319 HydrophobicContact CG2-CB 3.85Å; T246-I319 HydrophobicContact CG2-CG2 4.17Å; T246-I319 PolarHBondContact N-O 2.61Å; T246-I319 PolarHBondContact O-N 2.85Å
320G98.4Very high96.9Very high1 Ų130.8 Ų30.81%0.0118%0.176CC..EExtended strand (participates in β ladder)trans84.8-141.7-174.100000112.2D230 S322 K325D230-G320 PolarHBondContact OD1-N 3.09Å; G320-S322 VanDerWaalsContact C-N 3.28Å; G320-S322 PolarHBondContact O-N 3.32Å; G320-K325 WeakPolarHBondContact O-CE 3.49Å; G320-K325 PolarHBondContact O-NZ 2.9Å; G320-K325 VanDerWaalsContact O-NZ 3.13Å
321D97.9Very high97Very high4 Ų431.6 Ų31.62%0.02118%0.181CC..  trans51.944.6-175.2-63.7-40.7000113.5H191 C244 G245 L313 A318 E323 H324 K325 I328H191-D321 IonicContact CD2-OD1 3.49Å; H191-D321 IonicContact CE1-OD2 3.28Å; H191-D321 PolarHBondContact CE1-OD2 2.93Å; H191-D321 VanDerWaalsContact CE1-OD2 3.25Å; H191-D321 IonicContact NE2-OD1 2.63Å; H191-D321 PolarHBondContact NE2-OD1 3.15Å; H191-D321 IonicContact NE2-OD2 3.84Å; H191-D321 PolarHBondContact NE2-OD2 3.39Å; C244-D321 PolarHBondContact O-N 3.26Å; C244-D321 VanDerWaalsContact O-N 3.15Å; G245-D321 PolarHBondContact N-OD1 2.93Å; L313-D321 HydrophobicContact CD1-CB 4.07Å; A318-D321 WeakPolarHBondContact CB-OD2 3.46Å; D321-E323 PolarHBondContact O-N 3.48Å; D321-E323 VanDerWaalsContact O-N 3.13Å; D321-H324 HydrophobicContact CB-CB 4.26Å; D321-H324 WeakPolarHBondContact O-CA 3.41Å; D321-H324 PolarHBondContact O-N 3.02Å; D321-K325 PolarHBondContact O-N 3.11Å; D321-I328 HydrophobicContact CB-CB 4.48Å; D321-I328 HydrophobicContact CB-CG2 4.16Å
322S96.4Very high97.1Very high44 Ų4430.5 Ų30.531%0.30817%0.169SC..G310 helixtrans-53.9-36.6-17557.80000113.2G320 H324 K325G320-S322 VanDerWaalsContact C-N 3.28Å; G320-S322 PolarHBondContact O-N 3.32Å; S322-H324 PolarHBondContact O-N 3.48Å; S322-K325 PolarHBondContact O-N 2.83Å
323E95.4Very high97.3Very high109 Ų10930 Ų3051%0.50916%0.161SC..G310 helixtrans-69.8-16.1178.1-57.8-167.9143.400113.5R243 D321R243-E323 WeakPolarHBondContact CD-OE2 3.27Å; R243-E323 IonicContact CZ-OE1 3.39Å; R243-E323 IonicContact CZ-OE2 2.91Å; R243-E323 IonicContact NE-OE1 2.9Å; R243-E323 PolarHBondContact NE-OE1 2.89Å; R243-E323 IonicContact NE-OE2 3.31Å; R243-E323 VanDerWaalsContact NH1-CD 3.26Å; R243-E323 IonicContact NH1-OE1 3.94Å; R243-E323 PolarHBondContact NH1-OE1 3.4Å; R243-E323 IonicContact NH1-OE2 2.89Å; R243-E323 PolarHBondContact NH1-OE2 3.5Å; R243-E323 IonicContact NH2-OE1 3.33Å; R243-E323 PolarHBondContact NH2-OE1 3.45Å; D321-E323 PolarHBondContact O-N 3.48Å; D321-E323 VanDerWaalsContact O-N 3.13Å
324H96.8Very high97.4Very high42 Ų4233.1 Ų33.119%0.19418%0.175CC..G310 helixtrans-105.5-1.2-179.5-62.7-77.5000113.7S312 L313 D321 S322 Y327 I328S312-H324 VanDerWaalsContact CB-CE1 3.44Å; S312-H324 WeakPolarHBondContact CB-CE1 3.41Å; L313-H324 HydrophobicContact CD1-CB 3.97Å; L313-H324 WeakPolarHBondContact CD1-CD2 3.44Å; D321-H324 HydrophobicContact CB-CB 4.26Å; D321-H324 WeakPolarHBondContact O-CA 3.41Å; D321-H324 PolarHBondContact O-N 3.02Å; S322-H324 PolarHBondContact O-N 3.48Å; H324-Y327 WeakPolarHBondContact O-CB 3.42Å; H324-Y327 WeakPolarHBondContact O-CD2 3.17Å; H324-Y327 PolarHBondContact O-N 2.8Å; H324-I328 HydrophobicContact CB-CB 4.12Å; H324-I328 HydrophobicContact CB-CG1 3.61Å; H324-I328 PolarHBondContact O-N 2.83Å; H324-I328 VanDerWaalsContact O-N 3.07Å
325K96.8Very high97.5Very high55 Ų5532 Ų3224%0.23917%0.169CC..THydrogen-bonded Turntrans-71.3140.2171.7-70178.2-162.8-81.20110.2D230 I234 G320 D321 S322 I328D230-K325 IonicContact OD1-NZ 3.41Å; D230-K325 PolarHBondContact OD1-NZ 3.4Å; D230-K325 IonicContact OD2-NZ 3.07Å; D230-K325 PolarHBondContact OD2-NZ 3.15Å; I234-K325 HydrophobicContact CD1-CD 3.59Å; I234-K325 HydrophobicContact CG1-CD 4.34Å; G320-K325 WeakPolarHBondContact O-CE 3.49Å; G320-K325 PolarHBondContact O-NZ 2.9Å; G320-K325 VanDerWaalsContact O-NZ 3.13Å; D321-K325 PolarHBondContact O-N 3.11Å; S322-K325 PolarHBondContact O-N 2.83Å; K325-I328 VanDerWaalsContact CG-O 3.31Å; K325-I328 WeakPolarHBondContact CG-O 3.31Å
326P96.5Very high97.5Very high73 Ų7335.9 Ų35.947%0.47419%0.189SC..THydrogen-bonded Turncis-92.83.89.137.1-36.3000114.9R293 L297 I328R293-P326 PolarHBondContact NH1-O 3.04Å; L297-P326 HydrophobicContact CD1-CB 4.29Å; L297-P326 HydrophobicContact CD1-CG 4.3Å; L297-P326 WeakPolarHBondContact CD1-O 3.45Å; L297-P326 HydrophobicContact CD2-CG 4.33Å; P326-I328 PolarHBondContact O-N 2.66Å
327Y97.8Very high97.5Very high62 Ų6238.2 Ų38.224%0.24320%0.199CC..THydrogen-bonded Turntrans-65.1-41.8-176.5-47.4-70.5000111.5R293 L297 G299 N310 H324R293-Y327 PolarHBondContact NH1-O 2.88Å; R293-Y327 PolarHBondContact NH2-O 3.41Å; L297-Y327 HydrophobicContact CB-CD1 3.97Å; L297-Y327 HydrophobicContact CB-CE1 4.01Å; L297-Y327 WeakPolarHBondContact O-CE1 3.31Å; G299-Y327 VanDerWaalsContact CA-CE1 3.5Å; G299-Y327 VanDerWaalsContact N-CE1 3.28Å; N310-Y327 WeakPolarHBondContact ND2-CD2 3.36Å; N310-Y327 WeakPolarHBondContact ND2-CE2 3.25Å; H324-Y327 WeakPolarHBondContact O-CB 3.42Å; H324-Y327 WeakPolarHBondContact O-CD2 3.17Å; H324-Y327 PolarHBondContact O-N 2.8Å
328I97.8Very high97.5Very high0 Ų041.9 Ų41.90%023%0.226CC..SBendtrans-92.3107.5167.7-54.7-58.9000108.2V309 L313 V315 S316 A318 D321 H324 K325 P326V309-I328 HydrophobicContact CB-CD1 3.95Å; V309-I328 HydrophobicContact CG1-CD1 4.11Å; V309-I328 HydrophobicContact CG2-CD1 3.71Å; L313-I328 HydrophobicContact CB-CD1 4.37Å; L313-I328 HydrophobicContact CD1-CD1 4.24Å; L313-I328 HydrophobicContact CD1-CG1 3.76Å; V315-I328 WeakPolarHBondContact O-CD1 3.48Å; S316-I328 WeakPolarHBondContact O-CA 3.19Å; A318-I328 HydrophobicContact CB-CG2 3.49Å; A318-I328 VanDerWaalsContact CB-CG2 3.49Å; D321-I328 HydrophobicContact CB-CB 4.48Å; D321-I328 HydrophobicContact CB-CG2 4.16Å; H324-I328 HydrophobicContact CB-CB 4.12Å; H324-I328 HydrophobicContact CB-CG1 3.61Å; H324-I328 PolarHBondContact O-N 2.83Å; H324-I328 VanDerWaalsContact O-N 3.07Å; K325-I328 VanDerWaalsContact CG-O 3.31Å; K325-I328 WeakPolarHBondContact CG-O 3.31Å; P326-I328 PolarHBondContact O-N 2.66Å
329C95.3Very high97.3Very high15 Ų1542.9 Ų42.910%0.10123%0.231CC..BIsolated β-bridgetrans-97.1155.4-179.466.90000112.4R317 A318 D331R317-C329 VanDerWaalsContact CA-O 3.29Å; R317-C329 WeakPolarHBondContact CA-O 3.49Å; R317-C329 WeakPolarHBondContact CB-O 3.44Å; R317-C329 VanDerWaalsContact CD-SG 3.59Å; A318-C329 PolarHBondContact N-O 3.14Å; A318-C329 VanDerWaalsContact N-O 3.11Å; C329-D331 VanDerWaalsContact C-N 3.29Å
330G95.7Very high97.1Very high5 Ų546.8 Ų46.85%0.05225%0.252CS..  trans-88.813.8175.500000113.9L263L263-G330 VanDerWaalsContact CD1-C 3.48Å
331D96.8Very high96.8Very high74 Ų7448.6 Ų48.640%0.39627%0.27SS..  trans-89.5112-175-58.8-53.9000110.1K227 R317 C329K227-D331 IonicContact NZ-OD1 2.8Å; R317-D331 WeakPolarHBondContact CD-O 3.32Å; R317-D331 PolarHBondContact NH1-O 2.81Å; C329-D331 VanDerWaalsContact C-N 3.29Å
332A98.2Very high96.6Very high11 Ų1148.5 Ų48.59%0.09127%0.27CS..  trans-79.9144.4178.400000112.3C223 F226 W262 L263C223-A332 PolarHBondContact SG-O 2.91Å; F226-A332 HydrophobicContact CB-CB 3.67Å; F226-A332 HydrophobicContact CD1-CB 4.07Å; F226-A332 HydrophobicContact CD2-CB 3.68Å; F226-A332 HydrophobicContact CE2-CB 4.31Å; F226-A332 HydrophobicContact CG-CB 3.54Å; W262-A332 WeakPolarHBondContact O-CA 3.24Å; W262-A332 WeakPolarHBondContact O-CB 3.35Å; L263-A332 HydrophobicContact CB-CB 4.16Å
333D98.4Very high96.6Very high46 Ų4646.7 Ų46.725%0.24626%0.257CS..EExtended strand (participates in β ladder)trans-84.5159.1164.1-76.4-4.7000109.2A261 W262 H283 R287 R317A261-D333 CarbonylContact C-O 3.58Å; A261-D333 VanDerWaalsContact CA-O 3.26Å; A261-D333 WeakPolarHBondContact CA-O 3.4Å; W262-D333 HydrophobicContact CD2-CB 4.12Å; W262-D333 HydrophobicContact CE3-CB 4.39Å; W262-D333 HydrophobicContact CH2-CB 3.77Å; W262-D333 HydrophobicContact CZ2-CB 3.41Å; W262-D333 VanDerWaalsContact CZ2-CB 3.41Å; W262-D333 HydrophobicContact CZ3-CB 4.25Å; W262-D333 PolarHBondContact N-O 2.83Å; W262-D333 PolarHBondContact O-N 3.33Å; H283-D333 IonicContact CE1-OD2 3.84Å; H283-D333 VanDerWaalsContact NE2-CG 3.3Å; H283-D333 IonicContact NE2-OD1 3.67Å; H283-D333 IonicContact NE2-OD2 3.71Å; H283-D333 PolarHBondContact NE2-OD2 3.12Å; R287-D333 IonicContact CZ-OD2 2.77Å; R287-D333 IonicContact NH1-OD2 3.68Å; R287-D333 IonicContact NH2-OD2 3.28Å; R287-D333 PolarHBondContact NH2-OD2 3.35Å; R317-D333 IonicContact CZ-OD1 2.72Å; R317-D333 IonicContact NH1-OD1 3.14Å; R317-D333 PolarHBondContact NH1-OD1 3.17Å; R317-D333 IonicContact NH2-OD1 3.04Å; R317-D333 PolarHBondContact NH2-OD1 2.74Å; R317-D333 IonicContact NH2-OD2 3.67Å
334H98.4Very high96.6Very high91 Ų9142.1 Ų42.142%0.42124%0.236SC..EExtended strand (participates in β ladder)trans-141.4162.3176.471.4-91.7000113.2C223 V260 A261C223-H334 PolarHBondContact SG-ND1 3.04Å; V260-H334 CarbonylContact O-C 3.58Å; V260-H334 WeakPolarHBondContact O-CA 3.17Å; V260-H334 WeakPolarHBondContact O-CB 3.47Å; A261-H334 HydrophobicContact CB-CB 4.31Å
335G98.3Very high96.7Very high13 Ų1340.7 Ų40.713%0.13423%0.229CC..EExtended strand (participates in β ladder)trans-145.3151.7173.400000111.8H259 V260H259-G335 WeakPolarHBondContact CA-O 3.45Å; V260-G335 PolarHBondContact N-O 3.33Å; V260-G335 PolarHBondContact O-N 3.29Å
336I98.4Very high96.7Very high87 Ų8738.1 Ų38.145%0.44622%0.217SC..EExtended strand (participates in β ladder)trans-123.2125.9179.1-55.8173.5000108.6S219 T257S219-I336 WeakPolarHBondContact OG-CD1 3.5Å; S219-I336 WeakPolarHBondContact OG-CG1 3.47Å; T257-I336 HydrophobicContact CG2-CG2 3.52Å
337F98.3Very high96.9Very high48 Ų4834.6 Ų34.621%0.21120%0.195CC..EExtended strand (participates in β ladder)trans-129.2109.6-174.6-55.6-84.4000109.8L258 V260 L279L258-F337 HydrophobicContact CB-CB 4.23Å; L258-F337 HydrophobicContact CD2-CB 4.45Å; L258-F337 PolarHBondContact N-O 3.01Å; L258-F337 PolarHBondContact O-N 3.2Å; V260-F337 HydrophobicContact CB-CE2 4.2Å; V260-F337 HydrophobicContact CG2-CD2 3.94Å; V260-F337 HydrophobicContact CG2-CE2 3.84Å; L279-F337 HydrophobicContact CB-CE2 4.06Å; L279-F337 HydrophobicContact CB-CZ 3.96Å; L279-F337 HydrophobicContact CD2-CD1 3.7Å; L279-F337 HydrophobicContact CD2-CD2 3.96Å; L279-F337 HydrophobicContact CD2-CE1 3.73Å; L279-F337 HydrophobicContact CD2-CE2 3.99Å; L279-F337 HydrophobicContact CD2-CG 3.82Å; L279-F337 HydrophobicContact CD2-CZ 3.9Å; L279-F337 WeakPolarHBondContact O-CZ 3.23Å
338P97.6Very high96.9Very high99 Ų9931.7 Ų31.764%0.64318%0.183SC*.EExtended strand (participates in β ladder)trans-63.3136.4170.2-20.833000110.8R272R272-P338 PolarHBondContact NH2-O 3.23Å
339L96Very high97Very high21 Ų2131.7 Ų31.711%0.1118%0.183CC..  trans-99.8127.2177.7-54.6-178.5000109.9L253 R256 L258 E343L253-L339 HydrophobicContact CD2-CD1 3.45Å; L253-L339 VanDerWaalsContact CD2-CD1 3.45Å; R256-L339 VanDerWaalsContact CZ-O 3.29Å; R256-L339 PolarHBondContact NE-O 2.76Å; R256-L339 PolarHBondContact NH2-O 2.91Å; R256-L339 WeakPolarHBondContact O-CB 3.5Å; R256-L339 PolarHBondContact O-N 2.92Å; L258-L339 HydrophobicContact CB-CD1 4.23Å; L258-L339 HydrophobicContact CB-CD2 3.89Å; L258-L339 HydrophobicContact CB-CG 4.19Å; L339-E343 WeakPolarHBondContact CA-OE1 3.41Å; L339-E343 HydrophobicContact CD2-CG 3.81Å
340D93.8Very high97.1Very high83 Ų8331 Ų3144%0.44418%0.179SC..  trans-98.9-2.4-179.873.68.6000112.9R256 S342 E343R256-D340 PolarHBondContact NH2-O 2.99Å; D340-S342 VanDerWaalsContact C-N 3.29Å; D340-S342 WeakPolarHBondContact OD1-CA 3.42Å; D340-S342 WeakPolarHBondContact OD1-CB 3.31Å; D340-S342 PolarHBondContact OD1-N 3.35Å; D340-S342 PolarHBondContact OD1-OG 3.49Å; D340-S342 PolarHBondContact OD2-OG 3.17Å; D340-E343 PolarHBondContact N-OE1 3.11Å; D340-E343 PolarHBondContact N-OE2 2.72Å
341G91.9Very high97.2Very high38 Ų3831.6 Ų31.639%0.39218%0.181SC..SBendtrans86.81.3-179.900000112.8E343G341-E343 WeakPolarHBondContact CA-OE2 3.43Å; G341-E343 PolarHBondContact N-OE2 2.73Å
342S93.7Very high97.3Very high3 Ų328.2 Ų28.22%0.02116%0.163CC..  trans-95.65.8172.275.50000113.8R272 R273 D340R272-S342 WeakPolarHBondContact CD-OG 3.2Å; R272-S342 WeakPolarHBondContact CG-O 3.44Å; R272-S342 WeakPolarHBondContact CG-OG 3.32Å; R273-S342 PolarHBondContact N-O 3.38Å; R273-S342 PolarHBondContact NE-OG 2.94Å; R273-S342 VanDerWaalsContact NE-OG 3.1Å; R273-S342 PolarHBondContact NH2-OG 3.2Å; D340-S342 VanDerWaalsContact C-N 3.29Å; D340-S342 WeakPolarHBondContact OD1-CA 3.42Å; D340-S342 WeakPolarHBondContact OD1-CB 3.31Å; D340-S342 PolarHBondContact OD1-N 3.35Å; D340-S342 PolarHBondContact OD1-OG 3.49Å; D340-S342 PolarHBondContact OD2-OG 3.17Å
343E95.9Very high97.3Very high6 Ų627.7 Ų27.73%0.02816%0.159CC..EExtended strand (participates in β ladder)trans-71.4135.6172.2-62.983.8-163.100111.9L270 R272 L339 D340 G341 L404 R405L270-E343 HydrophobicContact CD1-CB 3.83Å; L270-E343 HydrophobicContact CD1-CG 3.72Å; L270-E343 HydrophobicContact CD2-CG 3.9Å; L270-E343 HydrophobicContact CG-CG 4.32Å; R272-E343 IonicContact CZ-OE1 3.11Å; R272-E343 IonicContact NE-OE1 2.74Å; R272-E343 PolarHBondContact NE-OE1 3.41Å; R272-E343 IonicContact NH2-OE1 3.37Å; R272-E343 PolarHBondContact NH2-OE1 3.15Å; L339-E343 WeakPolarHBondContact CA-OE1 3.41Å; L339-E343 HydrophobicContact CD2-CG 3.81Å; D340-E343 PolarHBondContact N-OE1 3.11Å; D340-E343 PolarHBondContact N-OE2 2.72Å; G341-E343 WeakPolarHBondContact CA-OE2 3.43Å; G341-E343 PolarHBondContact N-OE2 2.73Å; E343-L404 HydrophobicContact CB-CB 4.39Å; E343-L404 HydrophobicContact CB-CD1 3.62Å; E343-L404 HydrophobicContact CG-CD1 4.42Å; E343-R405 WeakPolarHBondContact O-CD 3.3Å
344D96Very high97.3Very high12 Ų1226.7 Ų26.76%0.06415%0.152CC..EExtended strand (participates in β ladder)trans-92.7-58.9-178-54.8-37.7000110.3V271 R273 G274 L404 R405V271-D344 HydrophobicContact CB-CB 4.46Å; V271-D344 HydrophobicContact CG1-CB 4.36Å; V271-D344 PolarHBondContact O-N 3.26Å; R273-D344 WeakPolarHBondContact CA-OD2 3.48Å; R273-D344 PolarHBondContact N-OD2 2.99Å; G274-D344 PolarHBondContact N-OD2 3.38Å; D344-L404 PolarHBondContact O-N 2.75Å; D344-R405 IonicContact OD1-CZ 3.73Å; D344-R405 IonicContact OD1-NE 3.24Å; D344-R405 PolarHBondContact OD1-NE 3.48Å; D344-R405 IonicContact OD1-NH2 3.9Å; D344-R405 PolarHBondContact OD1-NH2 3.21Å
345Y98.2Very high97.2Very high13 Ų1327 Ų275%0.05116%0.157CC..EExtended strand (participates in β ladder)trans-163.5161.8-176.251.1-93.6000111.9V271 I347 V366 V401 V402 F403V271-Y345 HydrophobicContact CB-CD2 4Å; V271-Y345 HydrophobicContact CB-CE1 4.22Å; V271-Y345 HydrophobicContact CB-CE2 3.69Å; V271-Y345 HydrophobicContact CB-CG 4.4Å; V271-Y345 HydrophobicContact CG1-CE1 4.13Å; V271-Y345 HydrophobicContact CG1-CE2 4.21Å; V271-Y345 HydrophobicContact CG2-CD2 3.82Å; V271-Y345 HydrophobicContact CG2-CE2 3.28Å; V271-Y345 PolarHBondContact N-O 2.94Å; Y345-I347 HydrophobicContact CD2-CD1 4.26Å; Y345-I347 HydrophobicContact CD2-CG1 3.92Å; Y345-I347 HydrophobicContact CE2-CD1 3.82Å; Y345-I347 HydrophobicContact CE2-CG1 4.01Å; Y345-V366 HydrophobicContact CD1-CG1 4.41Å; Y345-V366 HydrophobicContact CE1-CG1 3.76Å; Y345-V366 HydrophobicContact CE2-CB 4.23Å; Y345-V366 HydrophobicContact CE2-CG1 3.99Å; Y345-V366 HydrophobicContact CE2-CG2 4.15Å; Y345-V401 HydrophobicContact CD2-CG1 3.97Å; Y345-V401 HydrophobicContact CG-CG1 4.2Å; Y345-V402 CarbonylContact C-O 3.52Å; Y345-V402 WeakPolarHBondContact CA-O 3.13Å; Y345-V402 WeakPolarHBondContact CB-O 3.43Å; Y345-F403 HydrophobicContact CD1-CD1 4.07Å; Y345-F403 AromaticContact CD1-CE1 3.88Å; Y345-F403 HydrophobicContact CD1-CE1 3.88Å; Y345-F403 HydrophobicContact CG-CD1 4.27Å; Y345-F403 HydrophobicContact CG-CE1 4.16Å
346L98.7Very high97.2Very high0 Ų028.4 Ų28.40%016%0.163CC..EExtended strand (participates in β ladder)trans-103.1147.3168-63.3160.7000109.4T251 L258 V268 I269 L270 L279 L348 V401 V402 L404T251-L346 HydrophobicContact CG2-CD1 4.23Å; L258-L346 HydrophobicContact CD1-CD1 4.06Å; L258-L346 HydrophobicContact CD2-CD1 4.38Å; L258-L346 HydrophobicContact CD2-CD2 3.68Å; V268-L346 HydrophobicContact CG2-CD2 4.28Å; I269-L346 WeakPolarHBondContact O-CA 3.27Å; L270-L346 HydrophobicContact CB-CD2 3.87Å; L270-L346 HydrophobicContact CD1-CD2 3.84Å; L270-L346 HydrophobicContact CD1-CG 4.45Å; L270-L346 HydrophobicContact CG-CD2 4.47Å; L279-L346 HydrophobicContact CD1-CD2 4.1Å; L346-L348 HydrophobicContact CB-CD1 4.09Å; L346-V401 CarbonylContact O-C 3.5Å; L346-V401 VanDerWaalsContact O-CA 3.31Å; L346-V401 WeakPolarHBondContact O-CA 3.44Å; L346-V402 HydrophobicContact CB-CB 4.28Å; L346-V402 PolarHBondContact N-O 3.13Å; L346-V402 PolarHBondContact O-N 2.98Å; L346-L404 HydrophobicContact CD1-CD1 4.38Å; L346-L404 HydrophobicContact CD1-CD2 4.37Å; L346-L404 HydrophobicContact CG-CD1 4.13Å
347I98.8Very high97.2Very high0 Ų024.3 Ų24.30%014%0.142CC..EExtended strand (participates in β ladder)trans-121.2115.5167.3-57.9174.6000107.8V268 I269 Y345 W354 A362 V366 L384 V399 I400 V401V268-I347 VanDerWaalsContact CA-O 3.25Å; V268-I347 WeakPolarHBondContact CA-O 3.4Å; I269-I347 HydrophobicContact CD1-CB 4.49Å; I269-I347 HydrophobicContact CD1-CD1 4.24Å; I269-I347 HydrophobicContact CG1-CB 3.93Å; I269-I347 HydrophobicContact CG1-CG1 4.47Å; I269-I347 PolarHBondContact N-O 2.95Å; I269-I347 PolarHBondContact O-N 3.32Å; Y345-I347 HydrophobicContact CD2-CD1 4.26Å; Y345-I347 HydrophobicContact CD2-CG1 3.92Å; Y345-I347 HydrophobicContact CE2-CD1 3.82Å; Y345-I347 HydrophobicContact CE2-CG1 4.01Å; I347-W354 HydrophobicContact CB-CH2 4.39Å; I347-W354 HydrophobicContact CB-CZ2 4.36Å; I347-W354 HydrophobicContact CG2-CH2 4.02Å; I347-W354 HydrophobicContact CG2-CZ2 3.84Å; I347-A362 HydrophobicContact CD1-CB 4.07Å; I347-V366 HydrophobicContact CD1-CG2 4.11Å; I347-L384 HydrophobicContact CD1-CD1 4.4Å; I347-V399 HydrophobicContact CG2-CG1 4Å; I347-I400 WeakPolarHBondContact CA-O 3.27Å; I347-V401 HydrophobicContact CG1-CG1 4.43Å; I347-V401 HydrophobicContact CG1-CG2 4.26Å
348L98.8Very high97.2Very high0 Ų024.5 Ų24.50%015%0.149CC..EExtended strand (participates in β ladder)trans-105.7131.1171-61.278.6000108.1F185 V187 V249 T251 Q267 V268 L346 V399 I400 V402F185-L348 HydrophobicContact CB-CD2 4.2Å; F185-L348 WeakPolarHBondContact O-CD2 3.43Å; V187-L348 HydrophobicContact CG2-CB 3.88Å; V249-L348 HydrophobicContact CG1-CD2 4.49Å; T251-L348 HydrophobicContact CG2-CD1 4.13Å; T251-L348 HydrophobicContact CG2-CD2 3.95Å; T251-L348 HydrophobicContact CG2-CG 4.15Å; Q267-L348 WeakPolarHBondContact O-CA 3.21Å; V268-L348 HydrophobicContact CB-CG 4.06Å; V268-L348 HydrophobicContact CG2-CD1 4.05Å; V268-L348 HydrophobicContact CG2-CG 3.78Å; L346-L348 HydrophobicContact CB-CD1 4.09Å; L348-V399 WeakPolarHBondContact O-CA 3.44Å; L348-I400 HydrophobicContact CB-CB 4.36Å; L348-I400 PolarHBondContact N-O 3.25Å; L348-I400 PolarHBondContact O-N 2.86Å; L348-V402 HydrophobicContact CD1-CG2 4.23Å
349A98.8Very high97.2Very high0 Ų022 Ų220%013%0.133CC..EExtended strand (participates in β ladder)trans-155.2159.217500000113.1Q267 F353 W354 T398 V399Q267-A349 PolarHBondContact N-O 2.91Å; Q267-A349 PolarHBondContact O-N 3.03Å; A349-F353 HydrophobicContact CB-CB 3.79Å; A349-F353 HydrophobicContact CB-CD1 3.73Å; A349-F353 HydrophobicContact CB-CG 4Å; A349-W354 HydrophobicContact CB-CZ2 4.42Å; A349-W354 PolarHBondContact O-NE1 2.9Å; A349-W354 VanDerWaalsContact O-NE1 3.12Å; A349-T398 WeakPolarHBondContact CA-O 3.24Å; A349-T398 WeakPolarHBondContact CB-O 3.48Å; A349-V399 HydrophobicContact CB-CB 4.34Å; A349-V399 HydrophobicContact CB-CG1 4.41Å; A349-V399 HydrophobicContact CB-CG2 3.9Å
350C98.7Very high97.3Very high0 Ų026.1 Ų26.10%016%0.155CC..  trans-75.4173.4171.161.80000112.1D162 V187 D189 G352 F353 W354 T398D162-C350 PolarHBondContact OD2-SG 2.94Å; V187-C350 HydrophobicContact CG1-CB 4.22Å; D189-C350 HydrophobicContact CB-CB 3.95Å; D189-C350 WeakPolarHBondContact OD2-CB 3.36Å; C350-G352 PolarHBondContact O-N 3.31Å; C350-F353 PolarHBondContact O-N 3.33Å; C350-W354 VanDerWaalsContact O-CD1 3.24Å; C350-W354 PolarHBondContact O-N 2.93Å; C350-T398 PolarHBondContact N-O 3.24Å; C350-T398 PolarHBondContact SG-N 2.91Å
351D97.8Very high97.5Very high18 Ų1824.9 Ų24.910%0.09615%0.146CC..Hα-helixtrans-64.5-29.1-179.573.4-10.3000112.2D189 F353 W354 D355D189-D351 VanDerWaalsContact OD2-OD1 3.08Å; D351-F353 CarbonylContact O-C 3.52Å; D351-F353 PolarHBondContact O-N 3.47Å; D351-W354 PolarHBondContact O-N 3.07Å; D351-D355 VanDerWaalsContact O-CB 3.3Å; D351-D355 WeakPolarHBondContact O-CB 3.42Å; D351-D355 PolarHBondContact O-N 3.05Å
352G98.1Very high97.8Very high3 Ų323 Ų233%0.03113%0.128CC..Hα-helixtrans-56.7-20.5174.400000114.4C350 S393 N396C350-G352 PolarHBondContact O-N 3.31Å; G352-S393 VanDerWaalsContact O-CB 3.24Å; G352-S393 WeakPolarHBondContact O-CB 3.29Å; G352-S393 PolarHBondContact O-OG 3.18Å; G352-N396 WeakPolarHBondContact CA-O 3.41Å
353F98.8Very high98Very high0 Ų023.6 Ų23.60%013%0.131CC..Hα-helixtrans-91.4-57.6165.3179.2-103.4000111.5A349 C350 D351 D355 T356 V357 A362 L384 A388 I397 V399A349-F353 HydrophobicContact CB-CB 3.79Å; A349-F353 HydrophobicContact CB-CD1 3.73Å; A349-F353 HydrophobicContact CB-CG 4Å; C350-F353 PolarHBondContact O-N 3.33Å; D351-F353 CarbonylContact O-C 3.52Å; D351-F353 PolarHBondContact O-N 3.47Å; F353-D355 VanDerWaalsContact C-N 3.3Å; F353-D355 PolarHBondContact O-N 3.3Å; F353-T356 PolarHBondContact O-N 3.3Å; F353-T356 VanDerWaalsContact O-N 3.11Å; F353-T356 PolarHBondContact O-OG1 3.2Å; F353-V357 HydrophobicContact CD2-CB 4.31Å; F353-V357 HydrophobicContact CD2-CG2 4.16Å; F353-V357 HydrophobicContact CE1-CB 4.16Å; F353-V357 HydrophobicContact CE1-CG1 4.23Å; F353-V357 HydrophobicContact CE2-CB 3.78Å; F353-V357 HydrophobicContact CE2-CG1 3.9Å; F353-V357 HydrophobicContact CE2-CG2 3.77Å; F353-V357 HydrophobicContact CZ-CB 3.7Å; F353-V357 HydrophobicContact CZ-CG1 3.53Å; F353-V357 HydrophobicContact CZ-CG2 4.22Å; F353-V357 PolarHBondContact O-N 2.84Å; F353-A362 HydrophobicContact CE1-CB 4.08Å; F353-A362 HydrophobicContact CZ-CB 3.81Å; F353-L384 HydrophobicContact CE2-CB 3.8Å; F353-L384 HydrophobicContact CE2-CD2 4.22Å; F353-L384 WeakPolarHBondContact CE2-O 3.03Å; F353-L384 HydrophobicContact CZ-CB 4.24Å; F353-L384 HydrophobicContact CZ-CD2 3.93Å; F353-A388 HydrophobicContact CD2-CB 3.74Å; F353-A388 HydrophobicContact CE2-CB 4.35Å; F353-I397 HydrophobicContact CB-CG2 3.98Å; F353-V399 HydrophobicContact CB-CG2 3.99Å; F353-V399 HydrophobicContact CD1-CG2 4.43Å; F353-V399 HydrophobicContact CD2-CG2 3.69Å; F353-V399 HydrophobicContact CE2-CG2 4.33Å; F353-V399 HydrophobicContact CG-CG2 3.77Å
354W98.2Very high98.2Very high25 Ų2530 Ų3010%0.09516%0.155CC..Hα-helixtrans-67.9-21.1-168.2-67.6118.6000115.4Q267 I269 I347 A349 C350 D351 T356 P359 A362Q267-W354 HydrophobicContact CB-CD2 4.48Å; Q267-W354 HydrophobicContact CB-CG 4.22Å; Q267-W354 PolarHBondContact O-NE1 2.98Å; I269-W354 HydrophobicContact CD1-CH2 3.65Å; I269-W354 HydrophobicContact CD1-CZ3 4.29Å; I269-W354 HydrophobicContact CG1-CH2 3.77Å; I269-W354 HydrophobicContact CG1-CZ2 4.27Å; I269-W354 HydrophobicContact CG2-CH2 4.14Å; I269-W354 HydrophobicContact CG2-CZ2 4.45Å; I347-W354 HydrophobicContact CB-CH2 4.39Å; I347-W354 HydrophobicContact CB-CZ2 4.36Å; I347-W354 HydrophobicContact CG2-CH2 4.02Å; I347-W354 HydrophobicContact CG2-CZ2 3.84Å; A349-W354 HydrophobicContact CB-CZ2 4.42Å; A349-W354 PolarHBondContact O-NE1 2.9Å; A349-W354 VanDerWaalsContact O-NE1 3.12Å; C350-W354 VanDerWaalsContact O-CD1 3.24Å; C350-W354 PolarHBondContact O-N 2.93Å; D351-W354 PolarHBondContact O-N 3.07Å; W354-T356 PolarHBondContact O-N 3.41Å; W354-P359 HydrophobicContact CZ3-CG 4.2Å; W354-A362 HydrophobicContact CZ3-CB 4.35Å
355D96.8Very high98.3Very high99 Ų9930.9 Ų30.953%0.52916%0.161SC..THydrogen-bonded Turntrans-73.5-16.3175.9-84.80.2000112.8K284 D351 F353K284-D355 IonicContact NZ-OD1 3.25Å; K284-D355 PolarHBondContact NZ-OD1 2.93Å; D351-D355 VanDerWaalsContact O-CB 3.3Å; D351-D355 WeakPolarHBondContact O-CB 3.42Å; D351-D355 PolarHBondContact O-N 3.05Å; F353-D355 VanDerWaalsContact C-N 3.3Å; F353-D355 PolarHBondContact O-N 3.3Å
356T97.8Very high98.3Very high42 Ų4230.3 Ų30.326%0.25816%0.158SC..THydrogen-bonded Turntrans-120.6-22.4-177.261.20000114.3F353 W354 A388F353-T356 PolarHBondContact O-N 3.3Å; F353-T356 VanDerWaalsContact O-N 3.11Å; F353-T356 PolarHBondContact O-OG1 3.2Å; W354-T356 PolarHBondContact O-N 3.41Å; T356-A388 PolarHBondContact OG1-O 3.49Å
357V98.4Very high98.2Very high1 Ų133 Ų331%0.00618%0.178CC..SBendtrans-119.2123.1-177.8-176.30000110.1F353 E361 A362 A388F353-V357 HydrophobicContact CD2-CB 4.31Å; F353-V357 HydrophobicContact CD2-CG2 4.16Å; F353-V357 HydrophobicContact CE1-CB 4.16Å; F353-V357 HydrophobicContact CE1-CG1 4.23Å; F353-V357 HydrophobicContact CE2-CB 3.78Å; F353-V357 HydrophobicContact CE2-CG1 3.9Å; F353-V357 HydrophobicContact CE2-CG2 3.77Å; F353-V357 HydrophobicContact CZ-CB 3.7Å; F353-V357 HydrophobicContact CZ-CG1 3.53Å; F353-V357 HydrophobicContact CZ-CG2 4.22Å; F353-V357 PolarHBondContact O-N 2.84Å; V357-E361 HydrophobicContact CG1-CB 3.95Å; V357-E361 HydrophobicContact CG1-CG 3.96Å; V357-A362 HydrophobicContact CG1-CB 4.21Å; V357-A388 HydrophobicContact CG2-CB 3.78Å
358S98.2Very high98.2Very high52 Ų5237 Ų3736%0.36420%0.199SC..  trans-74.3154.6175.865.40000112.2D360 E361 A362S358-D360 VanDerWaalsContact C-N 3.31Å; S358-D360 PolarHBondContact O-N 3.14Å; S358-E361 WeakPolarHBondContact O-CB 3.29Å; S358-E361 PolarHBondContact O-N 3.22Å; S358-E361 VanDerWaalsContact OG-CB 3.27Å; S358-E361 WeakPolarHBondContact OG-CB 2.96Å; S358-E361 PolarHBondContact OG-N 2.79Å; S358-A362 PolarHBondContact O-N 3.32Å
359P98.2Very high98.1Very high47 Ų4737.5 Ų37.531%0.30520%0.201SC..Hα-helixtrans-52.5-44.1175.5-3037.2000114.2I269 V276 W354 E361 A362 V363I269-P359 HydrophobicContact CD1-CB 4.02Å; V276-P359 HydrophobicContact CB-CB 4.4Å; V276-P359 HydrophobicContact CG1-CB 3.7Å; V276-P359 HydrophobicContact CG2-CB 3.85Å; W354-P359 HydrophobicContact CZ3-CG 4.2Å; P359-E361 VanDerWaalsContact C-N 3.31Å; P359-E361 PolarHBondContact O-N 3.47Å; P359-A362 WeakPolarHBondContact O-CB 3.26Å; P359-A362 PolarHBondContact O-N 3.34Å; P359-V363 WeakPolarHBondContact O-CG2 3.36Å; P359-V363 PolarHBondContact O-N 2.81Å
360D98.1Very high98Very high106 Ų10638.7 Ų38.757%0.56721%0.207SC*.Hα-helixtrans-67.5-30.4178-64.5-69000113S358 R364S358-D360 VanDerWaalsContact C-N 3.31Å; S358-D360 PolarHBondContact O-N 3.14Å; D360-R364 VanDerWaalsContact O-CG 3.3Å; D360-R364 WeakPolarHBondContact O-CG 3.09Å; D360-R364 PolarHBondContact O-N 2.66Å; D360-R364 PolarHBondContact O-NE 3.28Å; D360-R364 VanDerWaalsContact O-NE 3.13Å
361E98.2Very high97.9Very high57 Ų5746 Ų4627%0.26624%0.242SC..Hα-helixtrans-70.7-43.7171.6-173175.2-179.800111.9V357 S358 P359 V363 R364 V365V357-E361 HydrophobicContact CG1-CB 3.95Å; V357-E361 HydrophobicContact CG1-CG 3.96Å; S358-E361 WeakPolarHBondContact O-CB 3.29Å; S358-E361 PolarHBondContact O-N 3.22Å; S358-E361 VanDerWaalsContact OG-CB 3.27Å; S358-E361 WeakPolarHBondContact OG-CB 2.96Å; S358-E361 PolarHBondContact OG-N 2.79Å; P359-E361 VanDerWaalsContact C-N 3.31Å; P359-E361 PolarHBondContact O-N 3.47Å; E361-V363 VanDerWaalsContact C-N 3.31Å; E361-V363 PolarHBondContact O-N 3.02Å; E361-R364 WeakPolarHBondContact O-CB 3.31Å; E361-R364 PolarHBondContact O-N 3.11Å; E361-R364 VanDerWaalsContact O-N 3.13Å; E361-V365 WeakPolarHBondContact O-CG2 3.49Å; E361-V365 PolarHBondContact O-N 3.47Å
362A98.5Very high97.8Very high0 Ų052.1 Ų52.10%027%0.27CS..Hα-helixtrans-56.2-47.1174.600000111.1I347 F353 W354 V357 S358 P359 R364 V365 V366 L384I347-A362 HydrophobicContact CD1-CB 4.07Å; F353-A362 HydrophobicContact CE1-CB 4.08Å; F353-A362 HydrophobicContact CZ-CB 3.81Å; W354-A362 HydrophobicContact CZ3-CB 4.35Å; V357-A362 HydrophobicContact CG1-CB 4.21Å; S358-A362 PolarHBondContact O-N 3.32Å; P359-A362 WeakPolarHBondContact O-CB 3.26Å; P359-A362 PolarHBondContact O-N 3.34Å; A362-R364 VanDerWaalsContact C-N 3.33Å; A362-R364 PolarHBondContact O-N 3.06Å; A362-V365 PolarHBondContact O-N 2.74Å; A362-V366 WeakPolarHBondContact O-CG2 3.22Å; A362-V366 PolarHBondContact O-N 2.84Å; A362-L384 HydrophobicContact CB-CD2 4.06Å
363V98.4Very high97.7Very high15 Ų1555.2 Ų55.29%0.09129%0.285CS..Hα-helixtrans-59.1-42.8176.3172.90000112.1V271 V276 P359 E361 V366 S367V271-V363 HydrophobicContact CG1-CG1 4.48Å; V271-V363 HydrophobicContact CG1-CG2 4.32Å; V271-V363 HydrophobicContact CG2-CG2 3.66Å; V276-V363 HydrophobicContact CG2-CG2 3.52Å; P359-V363 WeakPolarHBondContact O-CG2 3.36Å; P359-V363 PolarHBondContact O-N 2.81Å; E361-V363 VanDerWaalsContact C-N 3.31Å; E361-V363 PolarHBondContact O-N 3.02Å; V363-V366 PolarHBondContact O-N 2.98Å; V363-S367 WeakPolarHBondContact O-CB 3.45Å; V363-S367 PolarHBondContact O-N 2.86Å
364R98.4Very high97.5Very high140 Ų14059.5 Ų59.553%0.52832%0.321SS..Hα-helixtrans-61.6-47.2176.6-76.5178.4-68.3160.23.6111.6D360 E361 A362 V366 S367 D368D360-R364 VanDerWaalsContact O-CG 3.3Å; D360-R364 WeakPolarHBondContact O-CG 3.09Å; D360-R364 PolarHBondContact O-N 2.66Å; D360-R364 PolarHBondContact O-NE 3.28Å; D360-R364 VanDerWaalsContact O-NE 3.13Å; E361-R364 WeakPolarHBondContact O-CB 3.31Å; E361-R364 PolarHBondContact O-N 3.11Å; E361-R364 VanDerWaalsContact O-N 3.13Å; A362-R364 VanDerWaalsContact C-N 3.33Å; A362-R364 PolarHBondContact O-N 3.06Å; R364-V366 VanDerWaalsContact C-N 3.33Å; R364-V366 PolarHBondContact O-N 3.23Å; R364-S367 PolarHBondContact O-N 3Å; R364-D368 WeakPolarHBondContact O-CB 2.88Å; R364-D368 VanDerWaalsContact O-CG 3.24Å; R364-D368 PolarHBondContact O-N 2.86Å
365V98.4Very high97.2Very high31 Ų3158.6 Ų58.619%0.18832%0.319CS..Hα-helixtrans-59.4-43178.3172.80000111.7E361 A362 H369 K383 L384E361-V365 WeakPolarHBondContact O-CG2 3.49Å; E361-V365 PolarHBondContact O-N 3.47Å; A362-V365 PolarHBondContact O-N 2.74Å; V365-H369 WeakPolarHBondContact O-CB 3.46Å; V365-H369 PolarHBondContact O-N 2.99Å; V365-H369 VanDerWaalsContact O-N 3.11Å; V365-K383 HydrophobicContact CG1-CB 3.9Å; V365-L384 HydrophobicContact CB-CD2 3.81Å; V365-L384 HydrophobicContact CG1-CD2 3.74Å; V365-L384 HydrophobicContact CG1-CG 4.19Å
366V98.3Very high97.1Very high0 Ų056.7 Ų56.70%031%0.309CS..Hα-helixtrans-64.2-48.4175.5178.40000110.9Y345 I347 A362 V363 R364 D368 H369 L370 V380 L384 F403Y345-V366 HydrophobicContact CD1-CG1 4.41Å; Y345-V366 HydrophobicContact CE1-CG1 3.76Å; Y345-V366 HydrophobicContact CE2-CB 4.23Å; Y345-V366 HydrophobicContact CE2-CG1 3.99Å; Y345-V366 HydrophobicContact CE2-CG2 4.15Å; I347-V366 HydrophobicContact CD1-CG2 4.11Å; A362-V366 WeakPolarHBondContact O-CG2 3.22Å; A362-V366 PolarHBondContact O-N 2.84Å; V363-V366 PolarHBondContact O-N 2.98Å; R364-V366 VanDerWaalsContact C-N 3.33Å; R364-V366 PolarHBondContact O-N 3.23Å; V366-D368 PolarHBondContact O-N 2.8Å; V366-H369 PolarHBondContact O-N 3.15Å; V366-L370 HydrophobicContact CG1-CD1 3.74Å; V366-L370 HydrophobicContact CG1-CG 4.23Å; V366-L370 VanDerWaalsContact O-CG 3.28Å; V366-L370 WeakPolarHBondContact O-CG 3.49Å; V366-L370 PolarHBondContact O-N 3.49Å; V366-V380 HydrophobicContact CB-CG1 4.13Å; V366-V380 HydrophobicContact CG1-CG1 3.88Å; V366-V380 HydrophobicContact CG2-CG1 3.58Å; V366-L384 HydrophobicContact CG2-CD1 3.9Å; V366-L384 HydrophobicContact CG2-CD2 4.12Å; V366-L384 HydrophobicContact CG2-CG 4.3Å; V366-F403 HydrophobicContact CG1-CE1 4.43Å; V366-F403 HydrophobicContact CG1-CZ 4.44Å
367S97.1Very high97Very high58 Ų5854.8 Ų54.841%0.40630%0.297SS..Hα-helixtrans-58.7-48.3-179.7-176.80000112.1V363 R364 H369 L370 Q371V363-S367 WeakPolarHBondContact O-CB 3.45Å; V363-S367 PolarHBondContact O-N 2.86Å; R364-S367 PolarHBondContact O-N 3Å; S367-H369 PolarHBondContact O-N 3.03Å; S367-L370 PolarHBondContact O-N 2.91Å; S367-Q371 WeakPolarHBondContact O-CB 3.28Å; S367-Q371 PolarHBondContact O-N 2.96Å
368D97.8Very high96.7Very high84 Ų8457.7 Ų57.745%0.44932%0.315SS..Hα-helixtrans-61.3-45.6179.8-69.1-13.2000110.4R364 V366 L370 Q371 E372R364-D368 WeakPolarHBondContact O-CB 2.88Å; R364-D368 VanDerWaalsContact O-CG 3.24Å; R364-D368 PolarHBondContact O-N 2.86Å; V366-D368 PolarHBondContact O-N 2.8Å; D368-L370 PolarHBondContact O-N 3.27Å; D368-Q371 PolarHBondContact O-N 2.62Å; D368-E372 WeakPolarHBondContact O-CB 3.31Å; D368-E372 VanDerWaalsContact O-CG 3.24Å; D368-E372 WeakPolarHBondContact O-CG 3.47Å; D368-E372 PolarHBondContact O-N 2.97Å
369H97.6Very high96.7Very high9 Ų959 Ų594%0.04232%0.317CS..Hα-helixtrans-59.7-48.7177.1-175.774.5000112.4V365 V366 S367 Q371 E372 N373 D376 V380V365-H369 WeakPolarHBondContact O-CB 3.46Å; V365-H369 PolarHBondContact O-N 2.99Å; V365-H369 VanDerWaalsContact O-N 3.11Å; V366-H369 PolarHBondContact O-N 3.15Å; S367-H369 PolarHBondContact O-N 3.03Å; H369-Q371 VanDerWaalsContact C-N 3.32Å; H369-Q371 PolarHBondContact O-N 2.88Å; H369-E372 PolarHBondContact O-N 3.45Å; H369-N373 PolarHBondContact CE1-ND2 3.21Å; H369-N373 PolarHBondContact ND1-ND2 2.91Å; H369-N373 WeakPolarHBondContact O-CB 3.41Å; H369-N373 PolarHBondContact O-N 3.11Å; H369-N373 PolarHBondContact O-ND2 2.87Å; H369-D376 PolarHBondContact CD2-O 3.49Å; H369-D376 PolarHBondContact NE2-O 3.07Å; H369-V380 WeakPolarHBondContact CD2-CG2 3.26Å
370L96.5Very high96.7Very high26 Ų2656.9 Ų56.914%0.13630%0.303CS..Hα-helixtrans-63-40.1-179.8-67.6172.5000111.2V366 S367 D368 A374 G375 D376 T377 V380 F403 P407V366-L370 HydrophobicContact CG1-CD1 3.74Å; V366-L370 HydrophobicContact CG1-CG 4.23Å; V366-L370 VanDerWaalsContact O-CG 3.28Å; V366-L370 WeakPolarHBondContact O-CG 3.49Å; V366-L370 PolarHBondContact O-N 3.49Å; S367-L370 PolarHBondContact O-N 2.91Å; D368-L370 PolarHBondContact O-N 3.27Å; L370-A374 PolarHBondContact O-N 3.31Å; L370-G375 PolarHBondContact O-N 2.91Å; L370-D376 WeakPolarHBondContact CD2-O 3.3Å; L370-T377 HydrophobicContact CD2-CG2 4.34Å; L370-V380 HydrophobicContact CD2-CG2 4.27Å; L370-F403 HydrophobicContact CD1-CE1 4.05Å; L370-F403 HydrophobicContact CD2-CE1 4.32Å; L370-F403 HydrophobicContact CD2-CZ 4.33Å; L370-P407 HydrophobicContact CD1-CB 4.19Å; L370-P407 HydrophobicContact CD1-CG 4.4Å; L370-P407 HydrophobicContact CD2-CB 4.02Å; L370-P407 HydrophobicContact CD2-CG 4.07Å
371Q95.8Very high96.7Very high154 Ų15451.8 Ų51.872%0.7228%0.276SS*.Hα-helixtrans-67-44.1178.5-175.1174.6-0.400112S367 D368 H369 N373S367-Q371 WeakPolarHBondContact O-CB 3.28Å; S367-Q371 PolarHBondContact O-N 2.96Å; D368-Q371 PolarHBondContact O-N 2.62Å; H369-Q371 VanDerWaalsContact C-N 3.32Å; H369-Q371 PolarHBondContact O-N 2.88Å; Q371-N373 VanDerWaalsContact C-N 3.32Å; Q371-N373 PolarHBondContact O-N 2.94Å
372E96.8Very high96.7Very high146 Ų14652.9 Ų52.968%0.68228%0.28SS*.Hα-helixtrans-69.5-29.6179.9-72.2175.7173.900113D368 H369D368-E372 WeakPolarHBondContact O-CB 3.31Å; D368-E372 VanDerWaalsContact O-CG 3.24Å; D368-E372 WeakPolarHBondContact O-CG 3.47Å; D368-E372 PolarHBondContact O-N 2.97Å; H369-E372 PolarHBondContact O-N 3.45Å
373N96Very high96.7Very high68 Ų6857.6 Ų57.636%0.36430%0.301SS..THydrogen-bonded Turntrans-113.826.3-172.1-58.1-86.4000112.7H369 Q371 G375 D376H369-N373 PolarHBondContact CE1-ND2 3.21Å; H369-N373 PolarHBondContact ND1-ND2 2.91Å; H369-N373 WeakPolarHBondContact O-CB 3.41Å; H369-N373 PolarHBondContact O-N 3.11Å; H369-N373 PolarHBondContact O-ND2 2.87Å; Q371-N373 VanDerWaalsContact C-N 3.32Å; Q371-N373 PolarHBondContact O-N 2.94Å; N373-G375 PolarHBondContact O-N 3.48Å; N373-G375 VanDerWaalsContact O-N 3.17Å; N373-D376 HydrophobicContact CB-CB 3.98Å; N373-D376 VanDerWaalsContact O-CB 3.32Å; N373-D376 WeakPolarHBondContact O-CB 3.38Å; N373-D376 PolarHBondContact O-N 3.49Å
374A94.3Very high96.7Very high89 Ų8956.9 Ų56.974%0.73630%0.297SS*.THydrogen-bonded Turntrans51.540.1174.800000114.2L370L370-A374 PolarHBondContact O-N 3.31Å
375G92.8Very high96.7Very high7 Ų750.4 Ų50.47%0.07227%0.272CS..THydrogen-bonded Turntrans79.415.118000000114.8L370 N373 T377L370-G375 PolarHBondContact O-N 2.91Å; N373-G375 PolarHBondContact O-N 3.48Å; N373-G375 VanDerWaalsContact O-N 3.17Å; G375-T377 PolarHBondContact O-N 3.26Å
376D94.2Very high96.7Very high59 Ų5950.2 Ų50.232%0.31627%0.274SS..  trans-66.5123.1170.4-174.812.3000110.7H369 L370 N373 T378H369-D376 PolarHBondContact CD2-O 3.49Å; H369-D376 PolarHBondContact NE2-O 3.07Å; L370-D376 WeakPolarHBondContact CD2-O 3.3Å; N373-D376 HydrophobicContact CB-CB 3.98Å; N373-D376 VanDerWaalsContact O-CB 3.32Å; N373-D376 WeakPolarHBondContact O-CB 3.38Å; N373-D376 PolarHBondContact O-N 3.49Å; D376-T378 VanDerWaalsContact OD1-CB 3.29Å; D376-T378 WeakPolarHBondContact OD1-CB 3.38Å; D376-T378 PolarHBondContact OD1-N 3.15Å; D376-T378 PolarHBondContact OD1-OG1 3.29Å
377T95.8Very high96.7Very high1 Ų151.3 Ų51.31%0.00628%0.282CS..  trans-90.7-18.3-177.657.70000111.9E147 S149 L370 G375 M379 V380 F403 P407E147-T377 PolarHBondContact OE1-OG1 2.58Å; S149-T377 WeakPolarHBondContact CB-O 3.41Å; S149-T377 PolarHBondContact OG-O 2.96Å; L370-T377 HydrophobicContact CD2-CG2 4.34Å; G375-T377 PolarHBondContact O-N 3.26Å; T377-M379 VanDerWaalsContact C-N 3.33Å; T377-M379 PolarHBondContact O-N 2.86Å; T377-V380 WeakPolarHBondContact O-CB 3.48Å; T377-V380 VanDerWaalsContact O-CG2 3.27Å; T377-V380 WeakPolarHBondContact O-CG2 3.48Å; T377-V380 PolarHBondContact O-N 3.5Å; T377-F403 VanDerWaalsContact CB-CE2 3.44Å; T377-F403 HydrophobicContact CG2-CD1 4.24Å; T377-F403 HydrophobicContact CG2-CD2 3.56Å; T377-F403 HydrophobicContact CG2-CE1 4.18Å; T377-F403 HydrophobicContact CG2-CE2 3.5Å; T377-F403 VanDerWaalsContact CG2-CE2 3.5Å; T377-F403 HydrophobicContact CG2-CG 3.95Å; T377-F403 HydrophobicContact CG2-CZ 3.83Å; T377-P407 HydrophobicContact CG2-CG 3.79Å
378T92.1Very high96.8Very high62 Ų6248.5 Ų48.538%0.3826%0.262SS..THydrogen-bonded Turntrans-58.4-43.8-160.9-54.60000112.1S149 D376 P444S149-T378 PolarHBondContact OG-O 2.95Å; D376-T378 VanDerWaalsContact OD1-CB 3.29Å; D376-T378 WeakPolarHBondContact OD1-CB 3.38Å; D376-T378 PolarHBondContact OD1-N 3.15Å; D376-T378 PolarHBondContact OD1-OG1 3.29Å; T378-P444 HydrophobicContact CG2-CB 4.25Å
379M96.6Very high96.8Very high81 Ų8151.1 Ų51.140%0.39927%0.266SS..THydrogen-bonded Turntrans-100.49.4-172.1-68-62-6700114.2T377 H382 K383T377-M379 VanDerWaalsContact C-N 3.33Å; T377-M379 PolarHBondContact O-N 2.86Å; M379-H382 HydrophobicContact CE-CB 3.68Å; M379-H382 VanDerWaalsContact CE-CG 3.46Å; M379-H382 WeakPolarHBondContact O-CB 3.24Å; M379-H382 PolarHBondContact O-N 3.13Å; M379-H382 HydrophobicContact SD-CB 4.45Å; M379-K383 WeakPolarHBondContact O-CG 3.42Å; M379-K383 PolarHBondContact O-N 3.32Å
380V98.3Very high96.8Very high1 Ų157.5 Ų57.51%0.00630%0.3CS..Hα-helixtrans-60.4-51.7-177.11750000111.7S149 V366 H369 L370 T377 H382 K383 L384 V401 F403S149-V380 PolarHBondContact OG-N 3Å; V366-V380 HydrophobicContact CB-CG1 4.13Å; V366-V380 HydrophobicContact CG1-CG1 3.88Å; V366-V380 HydrophobicContact CG2-CG1 3.58Å; H369-V380 WeakPolarHBondContact CD2-CG2 3.26Å; L370-V380 HydrophobicContact CD2-CG2 4.27Å; T377-V380 WeakPolarHBondContact O-CB 3.48Å; T377-V380 VanDerWaalsContact O-CG2 3.27Å; T377-V380 WeakPolarHBondContact O-CG2 3.48Å; T377-V380 PolarHBondContact O-N 3.5Å; V380-H382 VanDerWaalsContact C-N 3.27Å; V380-H382 PolarHBondContact O-N 3.44Å; V380-K383 WeakPolarHBondContact O-CB 3.34Å; V380-K383 PolarHBondContact O-N 2.93Å; V380-K383 VanDerWaalsContact O-N 3.08Å; V380-L384 HydrophobicContact CG1-CD1 4.25Å; V380-L384 PolarHBondContact O-N 3.34Å; V380-V401 HydrophobicContact CG1-CB 4.39Å; V380-V401 HydrophobicContact CG1-CG1 4.37Å; V380-V401 HydrophobicContact CG1-CG2 3.92Å; V380-F403 HydrophobicContact CB-CZ 4.43Å; V380-F403 HydrophobicContact CG1-CZ 4.36Å; V380-F403 HydrophobicContact CG2-CE2 4.48Å; V380-F403 HydrophobicContact CG2-CZ 4.01Å
381A98.4Very high96.9Very high0 Ų058.8 Ų58.80%031%0.314CS..Hα-helixtrans-63.5-34.5179.900000112.1S149 H151 K383 L384 V385 V399S149-A381 WeakPolarHBondContact OG-CB 3.45Å; S149-A381 PolarHBondContact OG-N 2.79Å; H151-A381 HydrophobicContact CB-CB 3.88Å; A381-K383 VanDerWaalsContact C-N 3.33Å; A381-K383 PolarHBondContact O-N 3.47Å; A381-L384 PolarHBondContact O-N 3.08Å; A381-V385 WeakPolarHBondContact O-CG2 3.43Å; A381-V385 PolarHBondContact O-N 3Å; A381-V399 WeakPolarHBondContact CB-O 3.35Å
382H98.3Very high97Very high80 Ų8054 Ų5437%0.3731%0.307SS..Hα-helixtrans-62.8-40173.8179.2-73.1000111.9H151 M379 V380 A386H151-H382 AromaticContact CD2-CD2 3.86Å; H151-H382 AromaticContact CE1-CD2 3.96Å; H151-H382 AromaticContact NE2-CD2 3.5Å; M379-H382 HydrophobicContact CE-CB 3.68Å; M379-H382 VanDerWaalsContact CE-CG 3.46Å; M379-H382 WeakPolarHBondContact O-CB 3.24Å; M379-H382 PolarHBondContact O-N 3.13Å; M379-H382 HydrophobicContact SD-CB 4.45Å; V380-H382 VanDerWaalsContact C-N 3.27Å; V380-H382 PolarHBondContact O-N 3.44Å; H382-A386 WeakPolarHBondContact O-CB 3.2Å; H382-A386 PolarHBondContact O-N 3.5Å
383K98.4Very high97Very high99 Ų9947.5 Ų47.543%0.4328%0.278SS..Hα-helixtrans-66.3-40.5175.2-70.4-68.5-173.6169.80112.2V365 M379 V380 A381 A386 S387V365-K383 HydrophobicContact CG1-CB 3.9Å; M379-K383 WeakPolarHBondContact O-CG 3.42Å; M379-K383 PolarHBondContact O-N 3.32Å; V380-K383 WeakPolarHBondContact O-CB 3.34Å; V380-K383 PolarHBondContact O-N 2.93Å; V380-K383 VanDerWaalsContact O-N 3.08Å; A381-K383 VanDerWaalsContact C-N 3.33Å; A381-K383 PolarHBondContact O-N 3.47Å; K383-A386 PolarHBondContact O-N 2.91Å; K383-S387 PolarHBondContact O-N 3.27Å
384L98.8Very high97.1Very high0 Ų047.7 Ų47.70%028%0.284CS..Hα-helixtrans-62.3-47.7175.5-70.1170.5000111.8I347 F353 A362 V365 V366 V380 A381 A386 S387 A388 V399 V401I347-L384 HydrophobicContact CD1-CD1 4.4Å; F353-L384 HydrophobicContact CE2-CB 3.8Å; F353-L384 HydrophobicContact CE2-CD2 4.22Å; F353-L384 WeakPolarHBondContact CE2-O 3.03Å; F353-L384 HydrophobicContact CZ-CB 4.24Å; F353-L384 HydrophobicContact CZ-CD2 3.93Å; A362-L384 HydrophobicContact CB-CD2 4.06Å; V365-L384 HydrophobicContact CB-CD2 3.81Å; V365-L384 HydrophobicContact CG1-CD2 3.74Å; V365-L384 HydrophobicContact CG1-CG 4.19Å; V366-L384 HydrophobicContact CG2-CD1 3.9Å; V366-L384 HydrophobicContact CG2-CD2 4.12Å; V366-L384 HydrophobicContact CG2-CG 4.3Å; V380-L384 HydrophobicContact CG1-CD1 4.25Å; V380-L384 PolarHBondContact O-N 3.34Å; A381-L384 PolarHBondContact O-N 3.08Å; L384-A386 VanDerWaalsContact C-N 3.32Å; L384-A386 PolarHBondContact O-N 3.48Å; L384-S387 VanDerWaalsContact O-CB 3.31Å; L384-S387 WeakPolarHBondContact O-CB 2.95Å; L384-S387 PolarHBondContact O-N 3.14Å; L384-S387 VanDerWaalsContact O-N 3.14Å; L384-A388 PolarHBondContact O-N 3.4Å; L384-V399 HydrophobicContact CB-CG1 4.13Å; L384-V399 HydrophobicContact CD1-CG1 3.7Å; L384-V401 HydrophobicContact CD1-CG2 3.5Å
385V98.6Very high97.2Very high3 Ų344.4 Ų44.42%0.01825%0.254CS..Hα-helixtrans-60.3-41.7175.5168.50000111.5H151 I153 A381 S387 A388 R389 I397 V399H151-V385 HydrophobicContact CB-CG2 3.91Å; I153-V385 HydrophobicContact CD1-CG1 3.38Å; I153-V385 HydrophobicContact CG1-CG1 3.67Å; I153-V385 HydrophobicContact CG2-CG1 4.41Å; A381-V385 WeakPolarHBondContact O-CG2 3.43Å; A381-V385 PolarHBondContact O-N 3Å; V385-S387 VanDerWaalsContact C-N 3.33Å; V385-S387 PolarHBondContact O-N 2.91Å; V385-A388 PolarHBondContact O-N 3.05Å; V385-R389 WeakPolarHBondContact O-CG 3.45Å; V385-R389 PolarHBondContact O-N 3.19Å; V385-R389 VanDerWaalsContact O-N 3.07Å; V385-I397 HydrophobicContact CB-CG2 4.43Å; V385-I397 HydrophobicContact CG1-CB 4.38Å; V385-I397 HydrophobicContact CG1-CG2 4.31Å; V385-I397 HydrophobicContact CG2-CG2 3.93Å; V385-V399 HydrophobicContact CG2-CB 4.24Å; V385-V399 HydrophobicContact CG2-CG2 3.84Å
386A98.3Very high97.5Very high27 Ų2744.1 Ų44.122%0.22325%0.251CS..Hα-helixtrans-60.6-42.8175.100000111.7H382 K383 L384 A388 R389 D390H382-A386 WeakPolarHBondContact O-CB 3.2Å; H382-A386 PolarHBondContact O-N 3.5Å; K383-A386 PolarHBondContact O-N 2.91Å; L384-A386 VanDerWaalsContact C-N 3.32Å; L384-A386 PolarHBondContact O-N 3.48Å; A386-A388 VanDerWaalsContact C-N 3.35Å; A386-A388 PolarHBondContact O-N 2.9Å; A386-R389 PolarHBondContact O-N 3.37Å; A386-D390 WeakPolarHBondContact O-CB 3.49Å; A386-D390 VanDerWaalsContact O-CG 3.29Å; A386-D390 PolarHBondContact O-N 3.47Å
387S98.4Very high97.7Very high23 Ų2341.3 Ų41.316%0.16124%0.236CC..Hα-helixtrans-57.5-44.7175.8-157.50000112.2K383 L384 V385 D390 A391K383-S387 PolarHBondContact O-N 3.27Å; L384-S387 VanDerWaalsContact O-CB 3.31Å; L384-S387 WeakPolarHBondContact O-CB 2.95Å; L384-S387 PolarHBondContact O-N 3.14Å; L384-S387 VanDerWaalsContact O-N 3.14Å; V385-S387 VanDerWaalsContact C-N 3.33Å; V385-S387 PolarHBondContact O-N 2.91Å; S387-D390 PolarHBondContact O-N 3.21Å; S387-A391 VanDerWaalsContact O-CB 3.28Å; S387-A391 WeakPolarHBondContact O-CB 3.41Å; S387-A391 PolarHBondContact O-N 3.41Å
388A98.5Very high97.9Very high0 Ų041.3 Ų41.30%024%0.236CC..Hα-helixtrans-66.1-38.4177.800000112.8F353 T356 V357 L384 V385 A386 A391 G392 S393 I397F353-A388 HydrophobicContact CD2-CB 3.74Å; F353-A388 HydrophobicContact CE2-CB 4.35Å; T356-A388 PolarHBondContact OG1-O 3.49Å; V357-A388 HydrophobicContact CG2-CB 3.78Å; L384-A388 PolarHBondContact O-N 3.4Å; V385-A388 PolarHBondContact O-N 3.05Å; A386-A388 VanDerWaalsContact C-N 3.35Å; A386-A388 PolarHBondContact O-N 2.9Å; A388-A391 PolarHBondContact O-N 3.32Å; A388-G392 PolarHBondContact O-N 3.11Å; A388-S393 WeakPolarHBondContact O-CB 3.37Å; A388-S393 PolarHBondContact O-N 2.81Å; A388-I397 HydrophobicContact CB-CD1 3.99Å; A388-I397 HydrophobicContact CB-CG2 4.39Å
389R98.3Very high98.2Very high138 Ų13838.3 Ų38.352%0.52122%0.218SC..Hα-helixtrans-63.8-45.5174.1-67.8176.974.8-155.7-7.8111.6I153 N155 V385 A386 A391 G392 I397I153-R389 HydrophobicContact CD1-CG 4.05Å; N155-R389 PolarHBondContact OD1-NE 3.49Å; V385-R389 WeakPolarHBondContact O-CG 3.45Å; V385-R389 PolarHBondContact O-N 3.19Å; V385-R389 VanDerWaalsContact O-N 3.07Å; A386-R389 PolarHBondContact O-N 3.37Å; R389-A391 VanDerWaalsContact C-N 3.25Å; R389-A391 PolarHBondContact O-N 3.41Å; R389-G392 PolarHBondContact O-N 3.24Å; R389-I397 HydrophobicContact CG-CD1 3.82Å
390D98.1Very high98.3Very high144 Ų14434.5 Ų34.577%0.7720%0.199SC*.Hα-helixtrans-66.8-30.8179.7-68.3-16.1000111.4A386 S387 G392A386-D390 WeakPolarHBondContact O-CB 3.49Å; A386-D390 VanDerWaalsContact O-CG 3.29Å; A386-D390 PolarHBondContact O-N 3.47Å; S387-D390 PolarHBondContact O-N 3.21Å; D390-G392 PolarHBondContact O-N 3.07Å
391A98Very high98.3Very high52 Ų5234.4 Ų34.443%0.4320%0.198SC..THydrogen-bonded Turntrans-75.6-1.4171.100000114S387 A388 R389S387-A391 VanDerWaalsContact O-CB 3.28Å; S387-A391 WeakPolarHBondContact O-CB 3.41Å; S387-A391 PolarHBondContact O-N 3.41Å; A388-A391 PolarHBondContact O-N 3.32Å; R389-A391 VanDerWaalsContact C-N 3.25Å; R389-A391 PolarHBondContact O-N 3.41Å
392G97.8Very high98.3Very high55 Ų5534.4 Ų34.457%0.56720%0.198SC*.THydrogen-bonded Turntrans9815.4171.400000115.6A388 R389 D390 S394A388-G392 PolarHBondContact O-N 3.11Å; R389-G392 PolarHBondContact O-N 3.24Å; D390-G392 PolarHBondContact O-N 3.07Å; G392-S394 PolarHBondContact O-N 3.47Å
393S97.9Very high98.3Very high9 Ų930.7 Ų30.76%0.06318%0.181CC..  trans-60133.8174.6178.90000111N155 G352 A388 D395 I397N155-S393 PolarHBondContact ND2-O 2.97Å; G352-S393 VanDerWaalsContact O-CB 3.24Å; G352-S393 WeakPolarHBondContact O-CB 3.29Å; G352-S393 PolarHBondContact O-OG 3.18Å; A388-S393 WeakPolarHBondContact O-CB 3.37Å; A388-S393 PolarHBondContact O-N 2.81Å; S393-D395 PolarHBondContact OG-N 2.64Å; S393-I397 WeakPolarHBondContact OG-CD1 3.23Å
394S96.7Very high98.1Very high71 Ų7127.5 Ų27.550%0.49717%0.168SC..  trans-116.75.517762.40000112.8G392G392-S394 PolarHBondContact O-N 3.47Å
395D97.8Very high97.8Very high21 Ų2130.5 Ų30.511%0.11218%0.18CC..SBendtrans-92.2171.3-179.1-141.4-30.2000112.8N155 R157 S393 I397N155-D395 WeakPolarHBondContact CB-O 3.34Å; N155-D395 PolarHBondContact ND2-O 3.39Å; R157-D395 IonicContact CZ-OD1 3.82Å; R157-D395 IonicContact CZ-OD2 3.49Å; R157-D395 VanDerWaalsContact CZ-OD2 3.29Å; R157-D395 IonicContact NE-OD1 3.51Å; R157-D395 PolarHBondContact NE-OD1 3.41Å; R157-D395 IonicContact NE-OD2 4Å; R157-D395 IonicContact NH1-OD1 2.61Å; R157-D395 PolarHBondContact NH1-OD1 3.25Å; R157-D395 IonicContact NH1-OD2 3.73Å; R157-D395 IonicContact NH2-OD1 3.29Å; R157-D395 PolarHBondContact NH2-OD1 3.41Å; R157-D395 IonicContact NH2-OD2 2.82Å; R157-D395 PolarHBondContact NH2-OD2 3.07Å; S393-D395 PolarHBondContact OG-N 2.64Å; D395-I397 WeakPolarHBondContact O-CG1 3.25Å
396N98.6Very high97.5Very high1 Ų132.4 Ų32.41%0.00519%0.19CC..  trans-53.8142.5156.2-67.3164.5000108.9I153 K154 R157 K159 M160 E161 D162 G352I153-N396 WeakPolarHBondContact O-CA 3.47Å; K154-N396 WeakPolarHBondContact CA-ND2 3.5Å; K154-N396 PolarHBondContact O-ND2 3Å; R157-N396 VanDerWaalsContact CB-ND2 3.34Å; R157-N396 WeakPolarHBondContact CB-ND2 3.39Å; K159-N396 PolarHBondContact O-ND2 3.06Å; K159-N396 PolarHBondContact O-OD1 2.98Å; M160-N396 WeakPolarHBondContact CA-OD1 3.03Å; M160-N396 HydrophobicContact SD-CB 3.98Å; E161-N396 PolarHBondContact N-OD1 2.93Å; D162-N396 WeakPolarHBondContact OD1-CB 3.47Å; G352-N396 WeakPolarHBondContact CA-O 3.41Å
397I98.7Very high97.1Very high0 Ų033 Ų330%019%0.191CC..EExtended strand (participates in β ladder)trans-132.5117.4-178.6-45.9-178.1000107.7A152 I153 N155 F353 V385 A388 R389 S393 D395 V399A152-I397 CarbonylContact C-O 3.57Å; A152-I397 VanDerWaalsContact CA-O 3.25Å; A152-I397 WeakPolarHBondContact CA-O 3.48Å; I153-I397 HydrophobicContact CD1-CD1 4.38Å; I153-I397 HydrophobicContact CG1-CB 4Å; I153-I397 HydrophobicContact CG1-CG1 4.41Å; I153-I397 PolarHBondContact N-O 2.79Å; I153-I397 PolarHBondContact O-N 2.97Å; N155-I397 HydrophobicContact CB-CG1 4.44Å; F353-I397 HydrophobicContact CB-CG2 3.98Å; V385-I397 HydrophobicContact CB-CG2 4.43Å; V385-I397 HydrophobicContact CG1-CB 4.38Å; V385-I397 HydrophobicContact CG1-CG2 4.31Å; V385-I397 HydrophobicContact CG2-CG2 3.93Å; A388-I397 HydrophobicContact CB-CD1 3.99Å; A388-I397 HydrophobicContact CB-CG2 4.39Å; R389-I397 HydrophobicContact CG-CD1 3.82Å; S393-I397 WeakPolarHBondContact OG-CD1 3.23Å; D395-I397 WeakPolarHBondContact O-CG1 3.25Å; I397-V399 HydrophobicContact CG2-CG2 4.23Å
398T98.8Very high96.7Very high0 Ų037.9 Ų37.90%021%0.206CC..EExtended strand (participates in β ladder)trans-126.3123.9175.9-60.90000109.2I150 A152 M160 D162 H164 V187 A349 C350I150-T398 HydrophobicContact CD1-CG2 4.16Å; A152-T398 HydrophobicContact CB-CG2 4.03Å; M160-T398 WeakPolarHBondContact CE-OG1 3.25Å; D162-T398 WeakPolarHBondContact CB-OG1 3.45Å; D162-T398 VanDerWaalsContact OD2-CB 3.31Å; D162-T398 WeakPolarHBondContact OD2-CB 3.41Å; D162-T398 PolarHBondContact OD2-N 3.26Å; D162-T398 PolarHBondContact OD2-OG1 3.39Å; H164-T398 HydrophobicContact CB-CG2 4.02Å; V187-T398 HydrophobicContact CG1-CG2 4.1Å; V187-T398 HydrophobicContact CG2-CG2 4.22Å; A349-T398 WeakPolarHBondContact CA-O 3.24Å; A349-T398 WeakPolarHBondContact CB-O 3.48Å; C350-T398 PolarHBondContact N-O 3.24Å; C350-T398 PolarHBondContact SG-N 2.91Å
399V98.8Very high96.1Very high0 Ų040.2 Ų40.20%022%0.222CC..EExtended strand (participates in β ladder)trans-133.1121.6179.2-175.90000109.7I150 H151 I347 L348 A349 F353 A381 L384 V385 I397 V401I150-V399 WeakPolarHBondContact CA-O 3.36Å; I150-V399 WeakPolarHBondContact CD1-O 3.48Å; H151-V399 PolarHBondContact N-O 2.75Å; H151-V399 PolarHBondContact O-N 3.42Å; I347-V399 HydrophobicContact CG2-CG1 4Å; L348-V399 WeakPolarHBondContact O-CA 3.44Å; A349-V399 HydrophobicContact CB-CB 4.34Å; A349-V399 HydrophobicContact CB-CG1 4.41Å; A349-V399 HydrophobicContact CB-CG2 3.9Å; F353-V399 HydrophobicContact CB-CG2 3.99Å; F353-V399 HydrophobicContact CD1-CG2 4.43Å; F353-V399 HydrophobicContact CD2-CG2 3.69Å; F353-V399 HydrophobicContact CE2-CG2 4.33Å; F353-V399 HydrophobicContact CG-CG2 3.77Å; A381-V399 WeakPolarHBondContact CB-O 3.35Å; L384-V399 HydrophobicContact CB-CG1 4.13Å; L384-V399 HydrophobicContact CD1-CG1 3.7Å; V385-V399 HydrophobicContact CG2-CB 4.24Å; V385-V399 HydrophobicContact CG2-CG2 3.84Å; I397-V399 HydrophobicContact CG2-CG2 4.23Å; V399-V401 HydrophobicContact CG1-CG2 4.3Å
400I98.8Very high95Very high0 Ų039 Ų390%023%0.233CC..EExtended strand (participates in β ladder)trans-104.7130.4165.9-55.2165.6000108.4S149 I150 H164 I166 A186 V187 I347 L348 V402S149-I400 CarbonylContact O-C 3.49Å; S149-I400 WeakPolarHBondContact O-CA 3.25Å; I150-I400 HydrophobicContact CD1-CB 4.34Å; I150-I400 HydrophobicContact CD1-CG1 3.44Å; I150-I400 VanDerWaalsContact CD1-CG1 3.44Å; I150-I400 HydrophobicContact CG1-CG1 4.3Å; H164-I400 HydrophobicContact CB-CD1 4.16Å; I166-I400 HydrophobicContact CD1-CG1 4.39Å; I166-I400 HydrophobicContact CD1-CG2 4.32Å; I166-I400 HydrophobicContact CG1-CD1 4.12Å; A186-I400 WeakPolarHBondContact O-CD1 3.44Å; V187-I400 HydrophobicContact CG2-CD1 3.77Å; V187-I400 HydrophobicContact CG2-CG1 4.14Å; I347-I400 WeakPolarHBondContact CA-O 3.27Å; L348-I400 HydrophobicContact CB-CB 4.36Å; L348-I400 PolarHBondContact N-O 3.25Å; L348-I400 PolarHBondContact O-N 2.86Å; I400-V402 HydrophobicContact CG2-CG2 3.68Å
401V98.8Very high93.6Very high0 Ų036.5 Ų36.50%022%0.224CC..EExtended strand (participates in β ladder)trans-111.2119.9164.4-172.30000108.7T148 S149 Y345 L346 I347 V380 L384 V399 F403T148-V401 CarbonylContact C-O 3.39Å; T148-V401 VanDerWaalsContact CA-O 3.25Å; T148-V401 WeakPolarHBondContact CA-O 3.23Å; S149-V401 PolarHBondContact N-O 3.1Å; S149-V401 PolarHBondContact O-N 3.29Å; Y345-V401 HydrophobicContact CD2-CG1 3.97Å; Y345-V401 HydrophobicContact CG-CG1 4.2Å; L346-V401 CarbonylContact O-C 3.5Å; L346-V401 VanDerWaalsContact O-CA 3.31Å; L346-V401 WeakPolarHBondContact O-CA 3.44Å; I347-V401 HydrophobicContact CG1-CG1 4.43Å; I347-V401 HydrophobicContact CG1-CG2 4.26Å; V380-V401 HydrophobicContact CG1-CB 4.39Å; V380-V401 HydrophobicContact CG1-CG1 4.37Å; V380-V401 HydrophobicContact CG1-CG2 3.92Å; L384-V401 HydrophobicContact CD1-CG2 3.5Å; V399-V401 HydrophobicContact CG1-CG2 4.3Å; V401-F403 HydrophobicContact CB-CE2 4.31Å; V401-F403 HydrophobicContact CG1-CD2 4.34Å; V401-F403 HydrophobicContact CG1-CE1 4.26Å; V401-F403 HydrophobicContact CG1-CE2 3.74Å; V401-F403 HydrophobicContact CG1-CZ 3.69Å
402V98.3Very high91.9Very high0 Ų037.2 Ų37.20%023%0.225CC..EExtended strand (participates in β ladder)trans-108.2109.2178.3-174.50000108.7Y146 T148 F185 Y345 L346 L348 I400 L404Y146-V402 HydrophobicContact CD1-CG1 4.45Å; T148-V402 HydrophobicContact CG2-CB 4.42Å; T148-V402 HydrophobicContact CG2-CG1 4.22Å; T148-V402 HydrophobicContact CG2-CG2 4.09Å; F185-V402 HydrophobicContact CB-CG2 4.24Å; F185-V402 HydrophobicContact CD1-CG2 3.78Å; F185-V402 HydrophobicContact CD2-CG1 4.19Å; F185-V402 HydrophobicContact CD2-CG2 3.91Å; F185-V402 HydrophobicContact CE1-CG1 4.17Å; F185-V402 HydrophobicContact CE1-CG2 4.09Å; F185-V402 HydrophobicContact CE2-CG1 3.68Å; F185-V402 HydrophobicContact CE2-CG2 4.21Å; F185-V402 HydrophobicContact CG-CG2 3.69Å; F185-V402 HydrophobicContact CZ-CG1 3.68Å; F185-V402 HydrophobicContact CZ-CG2 4.3Å; Y345-V402 CarbonylContact C-O 3.52Å; Y345-V402 WeakPolarHBondContact CA-O 3.13Å; Y345-V402 WeakPolarHBondContact CB-O 3.43Å; L346-V402 HydrophobicContact CB-CB 4.28Å; L346-V402 PolarHBondContact N-O 3.13Å; L346-V402 PolarHBondContact O-N 2.98Å; L348-V402 HydrophobicContact CD1-CG2 4.23Å; I400-V402 HydrophobicContact CG2-CG2 3.68Å; V402-L404 HydrophobicContact CG1-CD2 4.39Å
403F97.4Very high90Very high2 Ų238.7 Ų38.71%0.00922%0.222CC..EExtended strand (participates in β ladder)trans-78.3123.8176.9-67.1-82.7000110.5Y145 Y146 E147 Y345 V366 L370 T377 V380 V401 P407Y145-F403 CarbonylContact C-O 3.59Å; Y145-F403 HydrophobicContact CD1-CB 4.32Å; Y145-F403 HydrophobicContact CE1-CB 3.73Å; Y146-F403 WeakPolarHBondContact CA-O 3.4Å; E147-F403 WeakPolarHBondContact O-CB 3.49Å; E147-F403 WeakPolarHBondContact O-CD2 3.19Å; E147-F403 PolarHBondContact O-N 2.96Å; Y345-F403 HydrophobicContact CD1-CD1 4.07Å; Y345-F403 AromaticContact CD1-CE1 3.88Å; Y345-F403 HydrophobicContact CD1-CE1 3.88Å; Y345-F403 HydrophobicContact CG-CD1 4.27Å; Y345-F403 HydrophobicContact CG-CE1 4.16Å; V366-F403 HydrophobicContact CG1-CE1 4.43Å; V366-F403 HydrophobicContact CG1-CZ 4.44Å; L370-F403 HydrophobicContact CD1-CE1 4.05Å; L370-F403 HydrophobicContact CD2-CE1 4.32Å; L370-F403 HydrophobicContact CD2-CZ 4.33Å; T377-F403 VanDerWaalsContact CB-CE2 3.44Å; T377-F403 HydrophobicContact CG2-CD1 4.24Å; T377-F403 HydrophobicContact CG2-CD2 3.56Å; T377-F403 HydrophobicContact CG2-CE1 4.18Å; T377-F403 HydrophobicContact CG2-CE2 3.5Å; T377-F403 VanDerWaalsContact CG2-CE2 3.5Å; T377-F403 HydrophobicContact CG2-CG 3.95Å; T377-F403 HydrophobicContact CG2-CZ 3.83Å; V380-F403 HydrophobicContact CB-CZ 4.43Å; V380-F403 HydrophobicContact CG1-CZ 4.36Å; V380-F403 HydrophobicContact CG2-CE2 4.48Å; V380-F403 HydrophobicContact CG2-CZ 4.01Å; V401-F403 HydrophobicContact CB-CE2 4.31Å; V401-F403 HydrophobicContact CG1-CD2 4.34Å; V401-F403 HydrophobicContact CG1-CE1 4.26Å; V401-F403 HydrophobicContact CG1-CE2 3.74Å; V401-F403 HydrophobicContact CG1-CZ 3.69Å; F403-P407 HydrophobicContact CD1-CG 3.62Å; F403-P407 HydrophobicContact CE1-CG 3.89Å; F403-P407 HydrophobicContact CG-CG 4.3Å
404L95.5Very high87.8Confident31 Ų3143.4 Ų43.416%0.16226%0.255CS..SBendtrans-93-10.2-179.5-60.7176.4000112.2Y146 L253 L270 E343 D344 L346 V402Y146-L404 HydrophobicContact CD1-CD2 3.95Å; Y146-L404 HydrophobicContact CE1-CD2 3.85Å; L253-L404 HydrophobicContact CD1-CD2 4.1Å; L253-L404 HydrophobicContact CD2-CD2 4.25Å; L270-L404 HydrophobicContact CD1-CD1 4.02Å; E343-L404 HydrophobicContact CB-CB 4.39Å; E343-L404 HydrophobicContact CB-CD1 3.62Å; E343-L404 HydrophobicContact CG-CD1 4.42Å; D344-L404 PolarHBondContact O-N 2.75Å; L346-L404 HydrophobicContact CD1-CD1 4.38Å; L346-L404 HydrophobicContact CD1-CD2 4.37Å; L346-L404 HydrophobicContact CG-CD1 4.13Å; V402-L404 HydrophobicContact CG1-CD2 4.39Å
405R91.8Very high85.2Confident64 Ų6444 Ų4424%0.24226%0.256CS..SBendtrans-146.8155.1171.465-172.1-174108.4-2.3110.2Y145 E343 D344 P407Y145-R405 VanDerWaalsContact CE1-O 3.26Å; Y145-R405 WeakPolarHBondContact CE1-O 3.1Å; E343-R405 WeakPolarHBondContact O-CD 3.3Å; D344-R405 IonicContact OD1-CZ 3.73Å; D344-R405 IonicContact OD1-NE 3.24Å; D344-R405 PolarHBondContact OD1-NE 3.48Å; D344-R405 IonicContact OD1-NH2 3.9Å; D344-R405 PolarHBondContact OD1-NH2 3.21Å; R405-P407 VanDerWaalsContact O-CD 3.24Å; R405-P407 WeakPolarHBondContact O-CD 3.13Å
406D92.4Very high82.7Confident42 Ų4249.8 Ų49.823%0.22528%0.283CS..  trans-67.9117.7177-171.2-29000109.7Y145 R408 S409Y145-D406 HydrophobicContact CD2-CB 4.32Å; Y145-D406 VanDerWaalsContact CE1-CA 3.44Å; Y145-D406 HydrophobicContact CE1-CB 4.14Å; Y145-D406 HydrophobicContact CE2-CB 3.95Å; D406-R408 PolarHBondContact O-N 3.49Å; D406-R408 VanDerWaalsContact O-N 3.08Å; D406-R408 WeakPolarHBondContact OD1-CA 3.48Å; D406-R408 WeakPolarHBondContact OD1-CB 3.42Å; D406-R408 WeakPolarHBondContact OD1-CG 3.31Å; D406-R408 IonicContact OD1-CZ 3.85Å; D406-R408 PolarHBondContact OD1-N 2.96Å; D406-R408 IonicContact OD1-NE 3.78Å; D406-R408 PolarHBondContact OD1-NE 3.42Å; D406-R408 IonicContact OD1-NH2 3.26Å; D406-R408 PolarHBondContact OD1-NH2 3.36Å; D406-R408 IonicContact OD2-CZ 3.62Å; D406-R408 IonicContact OD2-NE 2.84Å; D406-R408 PolarHBondContact OD2-NE 2.86Å; D406-R408 IonicContact OD2-NH2 3.46Å; D406-R408 PolarHBondContact OD2-NH2 3.31Å; D406-S409 WeakPolarHBondContact O-CB 3.44Å; D406-S409 PolarHBondContact O-N 3.38Å; D406-S409 PolarHBondContact O-OG 2.88Å
407P90.4Very high80Confident39 Ų3956.6 Ų56.625%0.25332%0.319SS..THydrogen-bonded Turntrans-61.8-18.5179.5-2436.2000114L370 T377 F403 R405 S409L370-P407 HydrophobicContact CD1-CB 4.19Å; L370-P407 HydrophobicContact CD1-CG 4.4Å; L370-P407 HydrophobicContact CD2-CB 4.02Å; L370-P407 HydrophobicContact CD2-CG 4.07Å; T377-P407 HydrophobicContact CG2-CG 3.79Å; F403-P407 HydrophobicContact CD1-CG 3.62Å; F403-P407 HydrophobicContact CE1-CG 3.89Å; F403-P407 HydrophobicContact CG-CG 4.3Å; R405-P407 VanDerWaalsContact O-CD 3.24Å; R405-P407 WeakPolarHBondContact O-CD 3.13Å; P407-S409 VanDerWaalsContact C-N 3.35Å
408R90.1Very high77.1Confident127 Ų12763.3 Ų63.348%0.47935%0.35SS..THydrogen-bonded Turntrans-84.9-12.8176.9-54.8162.2-66.9-143.8-2.9112Y145 E147 D406Y145-R408 PolarHBondContact OH-NH2 3.13Å; E147-R408 IonicContact OE2-NH2 2.85Å; D406-R408 PolarHBondContact O-N 3.49Å; D406-R408 VanDerWaalsContact O-N 3.08Å; D406-R408 WeakPolarHBondContact OD1-CA 3.48Å; D406-R408 WeakPolarHBondContact OD1-CB 3.42Å; D406-R408 WeakPolarHBondContact OD1-CG 3.31Å; D406-R408 IonicContact OD1-CZ 3.85Å; D406-R408 PolarHBondContact OD1-N 2.96Å; D406-R408 IonicContact OD1-NE 3.78Å; D406-R408 PolarHBondContact OD1-NE 3.42Å; D406-R408 IonicContact OD1-NH2 3.26Å; D406-R408 PolarHBondContact OD1-NH2 3.36Å; D406-R408 IonicContact OD2-CZ 3.62Å; D406-R408 IonicContact OD2-NE 2.84Å; D406-R408 PolarHBondContact OD2-NE 2.86Å; D406-R408 IonicContact OD2-NH2 3.46Å; D406-R408 PolarHBondContact OD2-NH2 3.31Å
409S86.2Confident74.3Confident48 Ų4866.1 Ų66.134%0.33637%0.374SS..SBendtrans-78.1146.2175.170.60000110.9D406 P407D406-S409 WeakPolarHBondContact O-CB 3.44Å; D406-S409 PolarHBondContact O-N 3.38Å; D406-S409 PolarHBondContact O-OG 2.88Å; P407-S409 VanDerWaalsContact C-N 3.35Å
410P74.4Confident71.5Confident113 Ų11374.7 Ų74.773%0.73442%0.416SS*.PPolyproline II helixtrans-59144.3176.424-32000110.2
411P68.5Low68.7Low92 Ų9284.8 Ų84.860%0.59745%0.454SS*.PPolyproline II helixtrans-58.7143.5177.624.1-32000110.6T413P411-T413 PolarHBondContact O-N 3.36Å
412P62.6Low65.8Low67 Ų6789.7 Ų89.744%0.43548%0.484SS..PPolyproline II helixtrans-57.3117.617822-30.7000108.7S414P412-S414 PolarHBondContact O-N 2.92Å
413T57.3Low62.9Low85 Ų8598.6 Ų98.652%0.52153%0.525SS..PPolyproline II helixtrans-66131176.5480000108.4P411 T415P411-T413 PolarHBondContact O-N 3.36Å; T413-T415 WeakPolarHBondContact CB-OG1 3.11Å; T413-T415 PolarHBondContact O-N 2.98Å; T413-T415 PolarHBondContact OG1-OG1 3.26Å
414S51.3Low60.2Low108 Ų108110 Ų11076%0.75557%0.568SS**THydrogen-bonded Turntrans-64.616.9179.457.90000114.8P412P412-S414 PolarHBondContact O-N 2.92Å
415T43.9Very low57.3Low83 Ų83115.9 Ų115.951%0.50960%0.6SS.*THydrogen-bonded Turntrans-112.6-4.3-17042.70000113.8T413 D417 E418T413-T415 WeakPolarHBondContact CB-OG1 3.11Å; T413-T415 PolarHBondContact O-N 2.98Å; T413-T415 PolarHBondContact OG1-OG1 3.26Å; T415-D417 PolarHBondContact O-N 3.42Å; T415-E418 PolarHBondContact O-N 3.39Å; T415-E418 VanDerWaalsContact O-N 3.17Å
416E43.6Very low54.4Low144 Ų144116.4 Ų116.467%0.67363%0.625SS**Hα-helixtrans-73.1-14.7179.6-68.2-172167.200113.7E418E416-E418 VanDerWaalsContact C-N 3.33Å
417D43.3Very low51.5Low143 Ų143118.1 Ų118.177%0.76565%0.653SS**Hα-helixtrans-76.1-15.7169.8-80.4-28.2000113.8T415T415-D417 PolarHBondContact O-N 3.42Å
418E38.2Very low48.7Very low141 Ų141126 Ų12666%0.65969%0.686SS**Hα-helixtrans-90.7-27.3173.1-70.3-151.4147.800112.8T415 E416 M420 R421 V422T415-E418 PolarHBondContact O-N 3.39Å; T415-E418 VanDerWaalsContact O-N 3.17Å; E416-E418 VanDerWaalsContact C-N 3.33Å; E418-M420 VanDerWaalsContact C-N 3.32Å; E418-M420 PolarHBondContact O-N 3.5Å; E418-R421 PolarHBondContact O-N 3.4Å; E418-R421 VanDerWaalsContact O-N 3.09Å; E418-V422 WeakPolarHBondContact O-CG2 3.31Å; E418-V422 PolarHBondContact O-N 3.35Å
419A39.1Very low45.8Very low60 Ų60124 Ų12450%0.49671%0.706SS.*Hα-helixtrans-65.7-34.3179.300000112.4R421 V422 E423A419-R421 PolarHBondContact O-N 2.84Å; A419-V422 PolarHBondContact O-N 3.05Å; A419-E423 PolarHBondContact O-N 3.23Å
420M39.7Very low43Very low180 Ų180125.9 Ų125.989%0.88773%0.733SS**Hα-helixtrans-72.8-9175.4-122.7-172.4-142.100114.1E418E418-M420 VanDerWaalsContact C-N 3.32Å; E418-M420 PolarHBondContact O-N 3.5Å
421R40.1Very low40.7Very low212 Ų212126.2 Ų126.280%0.874%0.738SS**Hα-helixtrans-96.8-12.9172.9-69.5-177.3177.7174.92.1113.4E418 A419E418-R421 PolarHBondContact O-N 3.4Å; E418-R421 VanDerWaalsContact O-N 3.09Å; A419-R421 PolarHBondContact O-N 2.84Å
422V38.4Very low38.9Very low103 Ų103126.3 Ų126.362%0.62475%0.746SS**Hα-helixtrans-106.9-13-174.1-178.40000113.2E418 A419 R424 D425E418-V422 WeakPolarHBondContact O-CG2 3.31Å; E418-V422 PolarHBondContact O-N 3.35Å; A419-V422 PolarHBondContact O-N 3.05Å; V422-R424 PolarHBondContact O-N 2.61Å; V422-D425 PolarHBondContact O-N 3.3Å
423E37.6Very low37.2Very low186 Ų186127.9 Ų127.987%0.86977%0.765SS**THydrogen-bonded Turntrans-72.830.6170.9-66.9-154.1156.100114.7A419A419-E423 PolarHBondContact O-N 3.23Å
424R39.3Very low35.8Very low242 Ų242131.4 Ų131.491%0.91378%0.78SS**THydrogen-bonded Turntrans-120.327164.1-107.6-168.6-179.5-163.41.1112.2V422V422-R424 PolarHBondContact O-N 2.61Å
425D35.1Very low34.7Very low154 Ų154132.8 Ų132.882%0.82478%0.784SS**SBendtrans-161.7136.8155.5-142.43000113.1V422V422-D425 PolarHBondContact O-N 3.3Å
426G31.7Very low33.9Very low75 Ų75132.3 Ų132.377%0.77380%0.796SS**  trans89.1114.7158.800000117.9
427G31Very low33Very low79 Ų79128.9 Ų128.981%0.81480%0.799SS**  trans-96.9-174.9174.200000115.9
428E32.3Very low32.3Very low203 Ų203132.2 Ų132.295%0.94981%0.807SS**  trans81.1109.2166.1-65.7-16815200120.3
429G28.5Very low31.7Very low87 Ų87129 Ų12990%0.89781%0.812SS**  99.9113.2117.500000118.6
430G26.9Very low31.3Very low87 Ų87138.1 Ų138.190%0.89783%0.834SS**  trans168.9134.2162.100000114.9
431S27.2Very low30.6Very low119 Ų119132.5 Ų132.583%0.83282%0.822SS**  trans-104.8145.1-164.8-179.30000114.2
432A29.6Very low30Very low94 Ų94125.9 Ų125.978%0.77782%0.82SS**  trans53.9125.2146.400000122.5
433A27.1Very low29.8Very low100 Ų100129.3 Ų129.383%0.82682%0.822SS**  -160.1127124.700000111
434D28.6Very low29.6Very low159 Ų159122.5 Ų122.585%0.8579%0.794SS**  trans-85.9126.1177.9-176.325.4000109.7
435V28.1Very low29.3Very low137 Ų137117.3 Ų117.383%0.8378%0.783SS**  trans-131.995169.1-179.30000108.3G437V435-G437 PolarHBondContact O-N 3.33Å
436G26.7Very low29.4Very low73 Ų73112.2 Ų112.275%0.75375%0.754SS**  trans-73.8103.2173.800000112.3
437G25.1Very low29.4Very low73 Ų73113.8 Ų113.875%0.75374%0.741SS**  trans-94.3102.7163.900000111V435 G439V435-G437 PolarHBondContact O-N 3.33Å; G437-G439 PolarHBondContact O-N 2.89Å; G437-G439 VanDerWaalsContact O-N 3.14Å
438K29Very low29.6Very low212 Ų212112.1 Ų112.192%0.92272%0.717SS**  trans-77.988.5170.1-85.4179.1174.5170.50110
439G25.3Very low29.8Very low75 Ų75103.6 Ų103.677%0.77368%0.68SS**  trans-82.3109.7162.700000110.2G437 G441G437-G439 PolarHBondContact O-N 2.89Å; G437-G439 VanDerWaalsContact O-N 3.14Å; G439-G441 PolarHBondContact O-N 2.91Å
440R29.4Very low29.9Very low250 Ų250102.9 Ų102.994%0.94367%0.666SS**  trans-83.389.7165.5-77.6-177174.9-129.52.3107.7G442R440-G442 PolarHBondContact O-N 2.82Å
441G26.3Very low30.1Very low63 Ų63103 Ų10365%0.64965%0.65SS**  trans-73.2113167.900000109.6G439G439-G441 PolarHBondContact O-N 2.91Å
442G27.6Very low30.4Very low72 Ų7299 Ų9974%0.74262%0.624SS**PPolyproline II helixtrans-76.4137.2161.100000108.5R440R440-G442 PolarHBondContact O-N 2.82Å
443W34.3Very low30.4Very low176 Ų17699.3 Ų99.367%0.66761%0.613SS**PPolyproline II helixtrans-71.5132.3177.1-60.689.4000109.5
444P32.8Very low30.5Very low43 Ų43101.5 Ų101.528%0.27961%0.61SS.*PPolyproline II helixtrans-64.1140.1175.724-30.4000110.5T378 Q446T378-P444 HydrophobicContact CG2-CB 4.25Å; P444-Q446 PolarHBondContact O-N 3.46Å; P444-Q446 VanDerWaalsContact O-N 3.11Å
445L32.6Very low30.4Very low133 Ų13398.5 Ų98.570%0.69661%0.607SS**  trans-66107172.7-80.1111.2000108.9N62 Q447N62-L445 WeakPolarHBondContact OD1-CD2 3.44Å; L445-Q447 PolarHBondContact O-N 2.83Å
446Q36.7Very low30.6Very low47 Ų47101.5 Ų101.522%0.2261%0.605CS.*  trans-67.9119.9169.6-88.2176.7-38.500109.6P444 C448P444-Q446 PolarHBondContact O-N 3.46Å; P444-Q446 VanDerWaalsContact O-N 3.11Å; Q446-C448 PolarHBondContact O-N 2.82Å
447Q33.1Very low30.5Very low107 Ų107106.8 Ų106.850%0.561%0.61SS.*  trans-78.5107.8167.3-70.1-177.7-12.100108.5H164 L445H164-Q447 PolarHBondContact NE2-O 2.8Å; H164-Q447 VanDerWaalsContact NE2-O 3.08Å; L445-Q447 PolarHBondContact O-N 2.83Å
448C34.5Very low30.7Very low44 Ų44110.9 Ų110.930%0.29762%0.615SS.*PPolyproline II helixtrans-61.2145160.5-70.20000109.6Q56 Y59 Q446 A450Q56-C448 HydrophobicContact CG-CB 4.31Å; Y59-C448 WeakPolarHBondContact CB-SG 3.43Å; Y59-C448 WeakPolarHBondContact CD2-SG 3.47Å; Q446-C448 PolarHBondContact O-N 2.82Å; C448-A450 PolarHBondContact O-N 2.87Å
449S37.1Very low30.6Very low24 Ų24109.8 Ų109.817%0.16861%0.605CS.*PPolyproline II helixtrans-52117.4171.3-51.70000109H164H164-S449 PolarHBondContact CE1-OG 3.01Å; H164-S449 PolarHBondContact ND1-OG 2.94Å; H164-S449 VanDerWaalsContact ND1-OG 3.17Å; H164-S449 PolarHBondContact O-OG 3.39Å
450A30.8Very low30.6Very low73 Ų73112.1 Ų112.160%0.60360%0.604SS**PPolyproline II helixtrans-60.1146.4-178.700000110.5K163 C448K163-A450 PolarHBondContact NZ-O 3.01Å; C448-A450 PolarHBondContact O-N 2.87Å
451P30.3Very low30.4Very low89 Ų89107.1 Ų107.158%0.57860%0.596SS**PPolyproline II helixtrans-57.2142.5170-18.529.4000110.1D453P451-D453 PolarHBondContact O-N 3.38Å; P451-D453 VanDerWaalsContact O-N 3.15Å
452A33.2Very low30.5Very low34 Ų34108.7 Ų108.728%0.28160%0.597SS.*SBendtrans-63.3114.7172.500000109.2L37 V194L37-A452 HydrophobicContact CD1-CB 4.46Å; L37-A452 HydrophobicContact CD2-CB 4.34Å; V194-A452 HydrophobicContact CG1-CB 4.25Å
453D29.2Very low30.5Very low101 Ų101112.2 Ų112.254%0.5459%0.592SS.*  trans31.292165.9-68.5-29.7000117.4P451P451-D453 PolarHBondContact O-N 3.38Å; P451-D453 VanDerWaalsContact O-N 3.15Å
454L28.8Very low30.2Very low146 Ų146109.8 Ų109.876%0.76460%0.597SS**SBendtrans-113.6100.4144-72.2174.3000108
455A27.2Very low29.9Very low96 Ų96114.3 Ų114.379%0.79362%0.619SS**  trans50.381167.400000115.9E457A455-E457 VanDerWaalsContact C-N 3.3Å; A455-E457 PolarHBondContact O-N 2.92Å
456Y31.7Very low29.5Very low200 Ų200117.7 Ų117.778%0.78462%0.623SS**  trans-90.664.2164.3-137.8-87.3000109.8
457E25.9Very low29.1Very low184 Ų184122 Ų12286%0.8665%0.653SS**  trans-110.5121.9160.1-76.6-169.3164.700107.6A455A455-E457 VanDerWaalsContact C-N 3.3Å; A455-E457 PolarHBondContact O-N 2.92Å
458D28.3Very low28.9Very low159 Ų159121.2 Ų121.285%0.8566%0.658SS**SBendtrans64.387.5-177.1-75.2-14.1000117.6
459R27.7Very low28.6Very low190 Ų190125.6 Ų125.672%0.71768%0.678SS**  -159.7115.1127.5-107.8168.9-159.6-168.46.4112.6
460T25.7Very low28.2Very low123 Ų123128.9 Ų128.976%0.75570%0.701SS**  trans-62146.4152.933.80000110.7
461D24.6Very low28.1Very low146 Ų146134 Ų13478%0.78172%0.717SS**SBendtrans74.3126.1164.2-55.7-27.8000119.6
462S29.3Very low28.1Very low95 Ų95136.7 Ų136.766%0.66473%0.726SS**  trans-49.8132174.355.50000112.7T464S462-T464 VanDerWaalsContact C-N 3.3Å; S462-T464 PolarHBondContact O-N 2.82Å
463F26.8Very low28Very low146 Ų146138.2 Ų138.264%0.6475%0.745SS**  trans-68.486.4166-98.3-94.1000110.3R466F463-R466 HydrophobicContact CE1-CG 4.24Å
464T27.7Very low28.1Very low126 Ų126140 Ų14077%0.77376%0.763SS**  trans-1109.2162.740.60000112.9S462S462-T464 VanDerWaalsContact C-N 3.3Å; S462-T464 PolarHBondContact O-N 2.82Å
465D26.1Very low28.2Very low137 Ų137138.6 Ų138.673%0.73377%0.765SS**  trans-138.577.1-173.5-1454.9000113.7
466R24.6Very low28.5Very low205 Ų205146 Ų14677%0.77479%0.789SS**  trans-148.760.9157.7-75.7-157.8175.5174.7-3.2111.9F463 S468F463-R466 HydrophobicContact CE1-CG 4.24Å; R466-S468 PolarHBondContact O-N 2.89Å; R466-S468 VanDerWaalsContact O-N 3.11Å
467T28.5Very low28.3Very low138 Ų138143.3 Ų143.385%0.84779%0.79SS**  trans-79.669.2154.445.70000110.1
468S28.2Very low28.5Very low89 Ų89141.1 Ų141.162%0.62279%0.786SS**  trans-176.4114157.154.30000110R466 S470R466-S468 PolarHBondContact O-N 2.89Å; R466-S468 VanDerWaalsContact O-N 3.11Å; S468-S470 PolarHBondContact O-N 3.31Å
469L29.4Very low28.5Very low136 Ų136140.1 Ų140.171%0.71278%0.782SS**  trans-63103155.6-74.1164.1000107.1L17L17-L469 HydrophobicContact CD1-CD1 3.82Å
470S28.3Very low28.5Very low93 Ų93137.2 Ų137.265%0.6579%0.786SS**  trans-70.5138.4172.658.20000110.1S468 L472S468-S470 PolarHBondContact O-N 3.31Å; S470-L472 PolarHBondContact O-N 3.33Å
471L29Very low28.7Very low180 Ų180138.1 Ų138.194%0.94279%0.788SS**SBendtrans-70.913.5-179.9-89.3160.1000114.8
472L29.5Very low29Very low146 Ų146137.5 Ų137.576%0.76479%0.789SS**SBendtrans-134.3112.7-178.7-70.7166.1000107.6S470S470-L472 PolarHBondContact O-N 3.33Å
473G32.3Very low28.9Very low66 Ų66140.6 Ų140.668%0.6880%0.798SS**PPolyproline II helixtrans-62.9164.5173.800000111.7S475G473-S475 PolarHBondContact O-N 2.92Å
474P31Very low29.1Very low140 Ų140140.2 Ų140.291%0.90981%0.81SS**PPolyproline II helixtrans-65.8128.7178.426.1-30.9000110.4
475S30.8Very low29.2Very low116 Ų116141.3 Ų141.381%0.81181%0.813SS**PPolyproline II helixtrans-74.1119164.348.40000109.2G473G473-S475 PolarHBondContact O-N 2.92Å
476L32.7Very low29.5Very low250 Ų250141.7 Ų141.7100%1.30982%0.82SS**  trans26.30166.8-72.1166.8000118.8

Retrieved 476 of 476 residues in 651.3 ms (Link to these results)

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