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Membrane-bound transcription factor site-2 protease

Zinc metalloprotease that mediates intramembrane proteolysis of proteins such as ATF6, ATF6B, SREBF1/SREBP1 and SREBF2/SREBP2. Catalyzes the second step in the proteolytic activation of the sterol regulatory element-binding proteins (SREBPs) SREBF1/SREBP1 and SREBF2/SREBP2: cleaves SREBPs within the first transmembrane segment, thereby releasing the N-terminal segment with a portion of the transmembrane segment attached. Mature N-terminal SREBP fragments shuttle to the nucleus and activate gene transcription. Also mediates the second step in the proteolytic activation of the cyclic AMP-dependent transcription factor ATF-6 (ATF6 and ATF6B). Involved in intramembrane proteolysis during bone formation. In astrocytes and osteoblasts, upon DNA damage and ER stress, mediates the second step of the regulated intramembrane proteolytic activation of the transcription factor CREB3L1, leading to the inhibition of cell-cycle progression.

AlphaFold DB , UniProt , Accession G4VQK6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 556 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M60.4Low81.6Confident158 Ų15897.5 Ų97.578%0.77852%0.515SS*.  01250-172.5178.2-177.200107.1F6 Y9M1-F6 HydrophobicContact CE-CB 3.83Å; M1-F6 HydrophobicContact CE-CD2 3.95Å; M1-F6 HydrophobicContact CE-CG 4.35Å; M1-F6 HydrophobicContact CG-CB 4.37Å; M1-F6 HydrophobicContact SD-CB 4.17Å; M1-F6 HydrophobicContact SD-CD2 4.12Å; M1-Y9 HydrophobicContact CE-CD2 3.29Å; M1-Y9 HydrophobicContact CE-CE2 4.05Å; M1-Y9 HydrophobicContact CE-CG 4.06Å
2T80.7Confident82.4Confident86 Ų8692.2 Ų92.253%0.52850%0.501SS..  trans-69.6155.317763.60000109.5V4 S5 F6T2-V4 PolarHBondContact O-N 3.27Å; T2-S5 PolarHBondContact O-N 3.25Å; T2-S5 VanDerWaalsContact O-N 3.11Å; T2-S5 WeakPolarHBondContact OG1-CB 3.2Å; T2-S5 PolarHBondContact OG1-N 3.21Å; T2-S5 VanDerWaalsContact OG1-N 3.13Å; T2-S5 PolarHBondContact OG1-OG 3.09Å; T2-F6 PolarHBondContact O-N 2.94Å
3I75.3Confident83Confident139 Ų13991.8 Ų91.871%0.71350%0.503SS*.Hα-helixtrans-55.1-39.6175.2-66.6170.6000110.3F6 V7I3-F6 PolarHBondContact O-N 3.29Å; I3-V7 HydrophobicContact CG2-CG2 4.28Å; I3-V7 WeakPolarHBondContact O-CG2 3.18Å; I3-V7 PolarHBondContact O-N 3.4Å
4V81.3Confident83.7Confident113 Ų11387.5 Ų87.569%0.68548%0.476SS*.Hα-helixtrans-61.9-46.3177.1-1800000111.5T2 F6 V7 S8T2-V4 PolarHBondContact O-N 3.27Å; V4-F6 VanDerWaalsContact C-N 3.31Å; V4-F6 PolarHBondContact O-N 3.2Å; V4-V7 PolarHBondContact O-N 3.44Å; V4-S8 VanDerWaalsContact O-CB 3.27Å; V4-S8 WeakPolarHBondContact O-CB 3.27Å; V4-S8 PolarHBondContact O-N 2.76Å
5S82.7Confident84.1Confident46 Ų4684.7 Ų84.732%0.32247%0.469SS..Hα-helixtrans-59.8-44.5174.3-62.30000110.7T2 S8 Y9T2-S5 PolarHBondContact O-N 3.25Å; T2-S5 VanDerWaalsContact O-N 3.11Å; T2-S5 WeakPolarHBondContact OG1-CB 3.2Å; T2-S5 PolarHBondContact OG1-N 3.21Å; T2-S5 VanDerWaalsContact OG1-N 3.13Å; T2-S5 PolarHBondContact OG1-OG 3.09Å; S5-S8 PolarHBondContact O-N 3.27Å; S5-Y9 WeakPolarHBondContact O-CD2 3.24Å; S5-Y9 PolarHBondContact O-N 2.9Å
6F80.8Confident84.6Confident98 Ų9883.9 Ų83.943%0.4347%0.471SS..Hα-helixtrans-59.7-49.3178.4179.7-93.7000113.5M1 T2 I3 V4 S8 Y9 F10 F165M1-F6 HydrophobicContact CE-CB 3.83Å; M1-F6 HydrophobicContact CE-CD2 3.95Å; M1-F6 HydrophobicContact CE-CG 4.35Å; M1-F6 HydrophobicContact CG-CB 4.37Å; M1-F6 HydrophobicContact SD-CB 4.17Å; M1-F6 HydrophobicContact SD-CD2 4.12Å; T2-F6 PolarHBondContact O-N 2.94Å; I3-F6 PolarHBondContact O-N 3.29Å; V4-F6 VanDerWaalsContact C-N 3.31Å; V4-F6 PolarHBondContact O-N 3.2Å; F6-S8 VanDerWaalsContact C-N 3.31Å; F6-S8 PolarHBondContact O-N 3.02Å; F6-Y9 PolarHBondContact O-N 3.45Å; F6-F10 VanDerWaalsContact O-CB 3.27Å; F6-F10 WeakPolarHBondContact O-CB 3.08Å; F6-F10 PolarHBondContact O-N 2.61Å; F6-F165 AromaticContact CE1-CE2 3.73Å; F6-F165 HydrophobicContact CE1-CE2 3.73Å; F6-F165 AromaticContact CE1-CZ 3.89Å; F6-F165 HydrophobicContact CE1-CZ 3.89Å; F6-F165 HydrophobicContact CE2-CZ 4.06Å; F6-F165 HydrophobicContact CZ-CE1 4.24Å; F6-F165 AromaticContact CZ-CE2 3.53Å; F6-F165 HydrophobicContact CZ-CE2 3.53Å; F6-F165 AromaticContact CZ-CZ 3.28Å; F6-F165 HydrophobicContact CZ-CZ 3.28Å
7V82.6Confident85Confident67 Ų6782.2 Ų82.241%0.40646%0.463SS..Hα-helixtrans-61.7-41.6176.2173.90000110.8I3 V4 F10 L11I3-V7 HydrophobicContact CG2-CG2 4.28Å; I3-V7 WeakPolarHBondContact O-CG2 3.18Å; I3-V7 PolarHBondContact O-N 3.4Å; V4-V7 PolarHBondContact O-N 3.44Å; V7-F10 PolarHBondContact O-N 2.98Å; V7-L11 HydrophobicContact CG1-CD1 3.77Å; V7-L11 HydrophobicContact CG1-CG 4.24Å; V7-L11 WeakPolarHBondContact O-CB 3.42Å; V7-L11 WeakPolarHBondContact O-CG 3.49Å; V7-L11 PolarHBondContact O-N 3.14Å
8S87.4Confident85.3Confident78 Ų7882.6 Ų82.655%0.54546%0.457SS..Hα-helixtrans-62.5-48.3177.7-176.30000112.4V4 S5 F6 F10 G12V4-S8 VanDerWaalsContact O-CB 3.27Å; V4-S8 WeakPolarHBondContact O-CB 3.27Å; V4-S8 PolarHBondContact O-N 2.76Å; S5-S8 PolarHBondContact O-N 3.27Å; F6-S8 VanDerWaalsContact C-N 3.31Å; F6-S8 PolarHBondContact O-N 3.02Å; S8-F10 PolarHBondContact O-N 3.02Å; S8-G12 WeakPolarHBondContact O-CA 3.37Å; S8-G12 PolarHBondContact O-N 2.92Å
9Y89Confident85.6Confident162 Ų16284.2 Ų84.264%0.63546%0.464SS*.Hα-helixtrans-63.9-41.4176.1-76.3-67.2000111.9M1 S5 F6 G12 V13M1-Y9 HydrophobicContact CE-CD2 3.29Å; M1-Y9 HydrophobicContact CE-CE2 4.05Å; M1-Y9 HydrophobicContact CE-CG 4.06Å; S5-Y9 WeakPolarHBondContact O-CD2 3.24Å; S5-Y9 PolarHBondContact O-N 2.9Å; F6-Y9 PolarHBondContact O-N 3.45Å; Y9-G12 PolarHBondContact O-N 3.11Å; Y9-V13 VanDerWaalsContact O-CG2 3.28Å; Y9-V13 WeakPolarHBondContact O-CG2 3.29Å; Y9-V13 PolarHBondContact O-N 3.12Å
10F87.2Confident86Confident39 Ų3984.1 Ų84.117%0.17147%0.466CS..Hα-helixtrans-62.3-50.7178.6173.4-107.3000112.4F6 V7 S8 G12 V13 W14 L48 G164 F165F6-F10 VanDerWaalsContact O-CB 3.27Å; F6-F10 WeakPolarHBondContact O-CB 3.08Å; F6-F10 PolarHBondContact O-N 2.61Å; V7-F10 PolarHBondContact O-N 2.98Å; S8-F10 PolarHBondContact O-N 3.02Å; F10-G12 VanDerWaalsContact C-N 3.32Å; F10-V13 PolarHBondContact O-N 3.35Å; F10-W14 AromaticContact CD2-CD1 3.79Å; F10-W14 AromaticContact CD2-NE1 3.91Å; F10-W14 AromaticContact CE2-CD1 3.47Å; F10-W14 VanDerWaalsContact CE2-CD1 3.47Å; F10-W14 AromaticContact CE2-NE1 3.22Å; F10-W14 AromaticContact CZ-CD1 3.67Å; F10-W14 AromaticContact CZ-NE1 3.59Å; F10-W14 PolarHBondContact O-N 3.07Å; F10-L48 HydrophobicContact CE1-CD2 3.98Å; F10-L48 HydrophobicContact CZ-CD2 4.31Å; F10-G164 VanDerWaalsContact CZ-CA 3.47Å; F10-F165 HydrophobicContact CB-CE2 4.41Å; F10-F165 HydrophobicContact CB-CZ 4.15Å; F10-F165 HydrophobicContact CD1-CE2 4.24Å; F10-F165 HydrophobicContact CD2-CD1 4.36Å; F10-F165 AromaticContact CD2-CD2 3.96Å; F10-F165 HydrophobicContact CD2-CD2 3.96Å; F10-F165 AromaticContact CD2-CE1 3.63Å; F10-F165 HydrophobicContact CD2-CE1 3.63Å; F10-F165 AromaticContact CD2-CE2 3.15Å; F10-F165 HydrophobicContact CD2-CE2 3.15Å; F10-F165 AromaticContact CD2-CZ 2.96Å; F10-F165 HydrophobicContact CD2-CZ 2.96Å; F10-F165 HydrophobicContact CE1-CE2 4.27Å; F10-F165 AromaticContact CE2-CD1 3.99Å; F10-F165 HydrophobicContact CE2-CD1 3.99Å; F10-F165 AromaticContact CE2-CD2 3.44Å; F10-F165 HydrophobicContact CE2-CD2 3.44Å; F10-F165 VanDerWaalsContact CE2-CD2 3.44Å; F10-F165 AromaticContact CE2-CE1 3.73Å; F10-F165 HydrophobicContact CE2-CE1 3.73Å; F10-F165 AromaticContact CE2-CE2 3.14Å; F10-F165 HydrophobicContact CE2-CE2 3.14Å; F10-F165 AromaticContact CE2-CG 3.87Å; F10-F165 HydrophobicContact CE2-CG 3.87Å; F10-F165 AromaticContact CE2-CZ 3.32Å; F10-F165 HydrophobicContact CE2-CZ 3.32Å; F10-F165 AromaticContact CG-CE2 3.69Å; F10-F165 HydrophobicContact CG-CE2 3.69Å; F10-F165 AromaticContact CG-CZ 3.72Å; F10-F165 HydrophobicContact CG-CZ 3.72Å; F10-F165 AromaticContact CZ-CD2 3.83Å; F10-F165 HydrophobicContact CZ-CD2 3.83Å; F10-F165 AromaticContact CZ-CE2 3.73Å; F10-F165 HydrophobicContact CZ-CE2 3.73Å; F10-F165 HydrophobicContact CZ-CG 4.5Å; F10-F165 HydrophobicContact CZ-CZ 4.33Å
11L90.3Very high86.2Confident87 Ų8780.3 Ų80.346%0.45545%0.445SS..Hα-helixtrans-65.3-38.4176.6-68.4177.1000111.2V7 W14 A15V7-L11 HydrophobicContact CG1-CD1 3.77Å; V7-L11 HydrophobicContact CG1-CG 4.24Å; V7-L11 WeakPolarHBondContact O-CB 3.42Å; V7-L11 WeakPolarHBondContact O-CG 3.49Å; V7-L11 PolarHBondContact O-N 3.14Å; L11-W14 PolarHBondContact O-N 2.95Å; L11-A15 WeakPolarHBondContact O-CB 3.41Å; L11-A15 PolarHBondContact O-N 3.43Å
12G90.9Very high87.6Confident33 Ų3375.8 Ų75.834%0.3442%0.423SS..Hα-helixtrans-58.4-48.1175.700000112.2S8 Y9 F10 A15 S16S8-G12 WeakPolarHBondContact O-CA 3.37Å; S8-G12 PolarHBondContact O-N 2.92Å; Y9-G12 PolarHBondContact O-N 3.11Å; F10-G12 VanDerWaalsContact C-N 3.32Å; G12-A15 PolarHBondContact O-N 2.87Å; G12-S16 WeakPolarHBondContact O-CB 3.37Å; G12-S16 PolarHBondContact O-N 3Å; G12-S16 PolarHBondContact O-OG 3.29Å
13V90.7Very high88.2Confident88 Ų8874 Ų7453%0.53342%0.417SS..Hα-helixtrans-60.9-49.2177.4169.10000111.3Y9 F10 A15 S16 V17Y9-V13 VanDerWaalsContact O-CG2 3.28Å; Y9-V13 WeakPolarHBondContact O-CG2 3.29Å; Y9-V13 PolarHBondContact O-N 3.12Å; F10-V13 PolarHBondContact O-N 3.35Å; V13-A15 PolarHBondContact O-N 2.96Å; V13-S16 PolarHBondContact O-N 3.41Å; V13-V17 WeakPolarHBondContact O-CG2 3.5Å; V13-V17 PolarHBondContact O-N 2.96Å
14W92.2Very high89Confident31 Ų3169.7 Ų69.712%0.11740%0.396CS..Hα-helixtrans-65.2-38.2179.4-82.1108000112.8F10 L11 Y18 L48 Q49 A50 V162 G164F10-W14 AromaticContact CD2-CD1 3.79Å; F10-W14 AromaticContact CD2-NE1 3.91Å; F10-W14 AromaticContact CE2-CD1 3.47Å; F10-W14 VanDerWaalsContact CE2-CD1 3.47Å; F10-W14 AromaticContact CE2-NE1 3.22Å; F10-W14 AromaticContact CZ-CD1 3.67Å; F10-W14 AromaticContact CZ-NE1 3.59Å; F10-W14 PolarHBondContact O-N 3.07Å; L11-W14 PolarHBondContact O-N 2.95Å; W14-Y18 WeakPolarHBondContact O-CB 3.49Å; W14-Y18 PolarHBondContact O-N 3.14Å; W14-L48 HydrophobicContact CB-CG 4.3Å; W14-L48 HydrophobicContact CG-CG 4.2Å; W14-L48 VanDerWaalsContact CZ3-C 3.48Å; W14-Q49 VanDerWaalsContact CZ3-N 3.34Å; W14-A50 HydrophobicContact CH2-CB 4.18Å; W14-A50 HydrophobicContact CZ3-CB 4.35Å; W14-V162 HydrophobicContact CZ2-CG1 4.26Å; W14-G164 WeakPolarHBondContact CZ2-O 3.26Å
15A90.8Very high89.4Confident46 Ų4668.6 Ų68.638%0.3838%0.379SS..Hα-helixtrans-63.9-44173.600000111.2L11 G12 V13 Y18 L19L11-A15 WeakPolarHBondContact O-CB 3.41Å; L11-A15 PolarHBondContact O-N 3.43Å; G12-A15 PolarHBondContact O-N 2.87Å; V13-A15 PolarHBondContact O-N 2.96Å; A15-Y18 PolarHBondContact O-N 3.26Å; A15-L19 WeakPolarHBondContact O-CB 3.42Å; A15-L19 VanDerWaalsContact O-CG 3.22Å; A15-L19 WeakPolarHBondContact O-CG 3.08Å; A15-L19 PolarHBondContact O-N 3.06Å
16S91.6Very high89.8Confident72 Ų7271.2 Ų71.250%0.50339%0.393SS..Hα-helixtrans-61.2-47176-63.90000112G12 V13 Y18 L19 V20G12-S16 WeakPolarHBondContact O-CB 3.37Å; G12-S16 PolarHBondContact O-N 3Å; G12-S16 PolarHBondContact O-OG 3.29Å; V13-S16 PolarHBondContact O-N 3.41Å; S16-Y18 VanDerWaalsContact C-N 3.33Å; S16-Y18 PolarHBondContact O-N 3.43Å; S16-L19 PolarHBondContact O-N 3.46Å; S16-V20 WeakPolarHBondContact O-CB 3.4Å; S16-V20 WeakPolarHBondContact O-CG2 3.48Å; S16-V20 PolarHBondContact O-N 2.61Å
17V91.1Very high90.3Very high55 Ų5571.7 Ų71.733%0.33340%0.397SS..Hα-helixtrans-59.1-46177.2170.60000110.9V13 V20 D21 F45V13-V17 WeakPolarHBondContact O-CG2 3.5Å; V13-V17 PolarHBondContact O-N 2.96Å; V17-V20 PolarHBondContact O-N 3.04Å; V17-D21 PolarHBondContact O-N 3.17Å; V17-F45 HydrophobicContact CG1-CD1 3.79Å; V17-F45 HydrophobicContact CG1-CE1 4.05Å; V17-F45 HydrophobicContact CG1-CG 4.38Å
18Y90.3Very high90.6Very high88 Ų8873.4 Ų73.435%0.34541%0.412SS..Hα-helixtrans-65.6-43.6179.5-177.2-109000112.7W14 A15 S16 V20 D21 I22W14-Y18 WeakPolarHBondContact O-CB 3.49Å; W14-Y18 PolarHBondContact O-N 3.14Å; A15-Y18 PolarHBondContact O-N 3.26Å; S16-Y18 VanDerWaalsContact C-N 3.33Å; S16-Y18 PolarHBondContact O-N 3.43Å; Y18-V20 VanDerWaalsContact C-N 3.35Å; Y18-V20 PolarHBondContact O-N 2.67Å; Y18-D21 PolarHBondContact O-N 3.39Å; Y18-I22 HydrophobicContact CD1-CD1 3.82Å; Y18-I22 HydrophobicContact CE1-CD1 3.27Å; Y18-I22 HydrophobicContact CE1-CG1 4.38Å; Y18-I22 HydrophobicContact CE2-CD1 4.09Å; Y18-I22 HydrophobicContact CG-CD1 4.45Å; Y18-I22 VanDerWaalsContact CZ-CD1 3.43Å; Y18-I22 WeakPolarHBondContact O-CG1 3.23Å; Y18-I22 PolarHBondContact O-N 3.23Å
19L92.1Very high90.7Very high113 Ų11379.2 Ų79.259%0.59242%0.423SS*.Hα-helixtrans-65-38.2176.7-72.8174.7000112A15 S16 I22 A23A15-L19 WeakPolarHBondContact O-CB 3.42Å; A15-L19 VanDerWaalsContact O-CG 3.22Å; A15-L19 WeakPolarHBondContact O-CG 3.08Å; A15-L19 PolarHBondContact O-N 3.06Å; S16-L19 PolarHBondContact O-N 3.46Å; L19-I22 PolarHBondContact O-N 3.26Å; L19-A23 VanDerWaalsContact O-CB 3.23Å; L19-A23 WeakPolarHBondContact O-CB 3.34Å; L19-A23 PolarHBondContact O-N 3.33Å
20V92.1Very high90.8Very high82 Ų8273 Ų7350%0.49740%0.401SS..Hα-helixtrans-65.8-44.5175.2169.90000111S16 V17 Y18 I22 A23 L24S16-V20 WeakPolarHBondContact O-CB 3.4Å; S16-V20 WeakPolarHBondContact O-CG2 3.48Å; S16-V20 PolarHBondContact O-N 2.61Å; V17-V20 PolarHBondContact O-N 3.04Å; Y18-V20 VanDerWaalsContact C-N 3.35Å; Y18-V20 PolarHBondContact O-N 2.67Å; V20-I22 PolarHBondContact O-N 3.36Å; V20-A23 PolarHBondContact O-N 2.85Å; V20-L24 HydrophobicContact CG1-CD1 3.74Å; V20-L24 HydrophobicContact CG1-CG 4.26Å; V20-L24 WeakPolarHBondContact O-CB 3.44Å; V20-L24 VanDerWaalsContact O-CG 3.27Å; V20-L24 WeakPolarHBondContact O-CG 3.36Å; V20-L24 PolarHBondContact O-N 3.49Å
21D91.1Very high90.9Very high6 Ų677.4 Ų77.43%0.03242%0.417CS..Hα-helixtrans-59.8-45.8175.3174.585.9000111.3V17 Y18 L24 R25 Y34 I38 F45V17-D21 PolarHBondContact O-N 3.17Å; Y18-D21 PolarHBondContact O-N 3.39Å; D21-L24 PolarHBondContact O-N 2.84Å; D21-R25 WeakPolarHBondContact O-CB 3.41Å; D21-R25 VanDerWaalsContact O-CG 3.26Å; D21-R25 WeakPolarHBondContact O-CG 3.1Å; D21-R25 PolarHBondContact O-N 2.78Å; D21-R25 IonicContact OD1-CZ 3.92Å; D21-R25 IonicContact OD1-NE 3.24Å; D21-R25 PolarHBondContact OD1-NE 3.39Å; D21-R25 IonicContact OD1-NH2 3.98Å; D21-R25 PolarHBondContact OD1-NH2 3.3Å; D21-R25 VanDerWaalsContact OD1-NH2 3.1Å; D21-R25 WeakPolarHBondContact OD2-CD 3.43Å; D21-R25 IonicContact OD2-CZ 3.48Å; D21-R25 IonicContact OD2-NE 2.93Å; D21-R25 PolarHBondContact OD2-NE 3.29Å; D21-R25 IonicContact OD2-NH2 3.54Å; D21-Y34 WeakPolarHBondContact CA-OH 3.48Å; D21-Y34 WeakPolarHBondContact OD1-CE1 3.46Å; D21-Y34 PolarHBondContact OD1-OH 2.92Å; D21-Y34 VanDerWaalsContact OD1-OH 3.07Å; D21-I38 WeakPolarHBondContact OD1-CD1 3.47Å; D21-F45 HydrophobicContact CB-CB 4.15Å; D21-F45 HydrophobicContact CB-CD2 4.23Å; D21-F45 HydrophobicContact CB-CG 4.48Å
22I90.5Very high91Very high62 Ų6278.4 Ų78.432%0.31842%0.423SS..Hα-helixtrans-61.2-48.3174.7-70.5176.1000111.1Y18 L19 V20 L24 R25 T26Y18-I22 HydrophobicContact CD1-CD1 3.82Å; Y18-I22 HydrophobicContact CE1-CD1 3.27Å; Y18-I22 HydrophobicContact CE1-CG1 4.38Å; Y18-I22 HydrophobicContact CE2-CD1 4.09Å; Y18-I22 HydrophobicContact CG-CD1 4.45Å; Y18-I22 VanDerWaalsContact CZ-CD1 3.43Å; Y18-I22 WeakPolarHBondContact O-CG1 3.23Å; Y18-I22 PolarHBondContact O-N 3.23Å; L19-I22 PolarHBondContact O-N 3.26Å; V20-I22 PolarHBondContact O-N 3.36Å; I22-L24 VanDerWaalsContact C-N 3.31Å; I22-L24 PolarHBondContact O-N 3.36Å; I22-R25 PolarHBondContact O-N 2.82Å; I22-T26 HydrophobicContact CG2-CG2 4.04Å; I22-T26 WeakPolarHBondContact O-CB 3.37Å; I22-T26 VanDerWaalsContact O-CG2 3.32Å; I22-T26 WeakPolarHBondContact O-CG2 3.41Å; I22-T26 PolarHBondContact O-N 3.02Å; I22-T26 PolarHBondContact O-OG1 3.18Å
23A92.1Very high91Very high50 Ų5084.4 Ų84.441%0.41344%0.436SS..Hα-helixtrans-59.5-44.5-178.200000110.9L19 V20 R25 T26 H27L19-A23 VanDerWaalsContact O-CB 3.23Å; L19-A23 WeakPolarHBondContact O-CB 3.34Å; L19-A23 PolarHBondContact O-N 3.33Å; V20-A23 PolarHBondContact O-N 2.85Å; A23-R25 PolarHBondContact O-N 3.31Å; A23-T26 WeakPolarHBondContact CA-OG1 3.42Å; A23-T26 PolarHBondContact O-N 3.4Å; A23-T26 PolarHBondContact O-OG1 2.9Å; A23-H27 WeakPolarHBondContact O-CB 3.2Å; A23-H27 PolarHBondContact O-N 3.23Å
24L91.7Very high91.1Very high48 Ų4881.1 Ų81.125%0.25141%0.414SS..Hα-helixtrans-68.5-34.4179-68.6173.3000113V20 D21 I22 T30 R31 Y34V20-L24 HydrophobicContact CG1-CD1 3.74Å; V20-L24 HydrophobicContact CG1-CG 4.26Å; V20-L24 WeakPolarHBondContact O-CB 3.44Å; V20-L24 VanDerWaalsContact O-CG 3.27Å; V20-L24 WeakPolarHBondContact O-CG 3.36Å; V20-L24 PolarHBondContact O-N 3.49Å; D21-L24 PolarHBondContact O-N 2.84Å; I22-L24 VanDerWaalsContact C-N 3.31Å; I22-L24 PolarHBondContact O-N 3.36Å; L24-T30 HydrophobicContact CD2-CG2 4.09Å; L24-T30 PolarHBondContact O-OG1 3.21Å; L24-R31 WeakPolarHBondContact O-CA 3.44Å; L24-R31 PolarHBondContact O-N 3.17Å; L24-Y34 HydrophobicContact CB-CD1 3.53Å; L24-Y34 HydrophobicContact CB-CD2 4.03Å; L24-Y34 HydrophobicContact CB-CE1 3.67Å; L24-Y34 HydrophobicContact CB-CE2 4.17Å; L24-Y34 HydrophobicContact CB-CG 3.69Å; L24-Y34 HydrophobicContact CD1-CD2 3.78Å; L24-Y34 HydrophobicContact CD1-CE1 4.33Å; L24-Y34 HydrophobicContact CD1-CE2 3.46Å; L24-Y34 VanDerWaalsContact CD1-CE2 3.46Å; L24-Y34 HydrophobicContact CD1-CG 4.32Å; L24-Y34 HydrophobicContact CG-CD2 4.48Å; L24-Y34 HydrophobicContact CG-CE2 4.46Å
25R90.2Very high91Very high90 Ų9082.7 Ų82.734%0.3443%0.427SS..Hα-helixtrans-73.5-31.9174.9-74.1175.7-170.5-102.5-3.2113.6D21 I22 A23 R31 Y34D21-R25 WeakPolarHBondContact O-CB 3.41Å; D21-R25 VanDerWaalsContact O-CG 3.26Å; D21-R25 WeakPolarHBondContact O-CG 3.1Å; D21-R25 PolarHBondContact O-N 2.78Å; D21-R25 IonicContact OD1-CZ 3.92Å; D21-R25 IonicContact OD1-NE 3.24Å; D21-R25 PolarHBondContact OD1-NE 3.39Å; D21-R25 IonicContact OD1-NH2 3.98Å; D21-R25 PolarHBondContact OD1-NH2 3.3Å; D21-R25 VanDerWaalsContact OD1-NH2 3.1Å; D21-R25 WeakPolarHBondContact OD2-CD 3.43Å; D21-R25 IonicContact OD2-CZ 3.48Å; D21-R25 IonicContact OD2-NE 2.93Å; D21-R25 PolarHBondContact OD2-NE 3.29Å; D21-R25 IonicContact OD2-NH2 3.54Å; I22-R25 PolarHBondContact O-N 2.82Å; A23-R25 PolarHBondContact O-N 3.31Å; R25-R31 WeakPolarHBondContact O-CB 3.49Å; R25-R31 VanDerWaalsContact O-CD 3.28Å; R25-R31 WeakPolarHBondContact O-CD 3.39Å; R25-R31 WeakPolarHBondContact O-CG 3.25Å; R25-Y34 HydrophobicContact CG-CD1 3.83Å; R25-Y34 HydrophobicContact CG-CE1 3.86Å
26T91Very high91Very high101 Ų10185.9 Ų85.962%0.6243%0.434SS*.Hα-helixtrans-89.6-31.4-175.951.50000112.5I22 A23 S28I22-T26 HydrophobicContact CG2-CG2 4.04Å; I22-T26 WeakPolarHBondContact O-CB 3.37Å; I22-T26 VanDerWaalsContact O-CG2 3.32Å; I22-T26 WeakPolarHBondContact O-CG2 3.41Å; I22-T26 PolarHBondContact O-N 3.02Å; I22-T26 PolarHBondContact O-OG1 3.18Å; A23-T26 WeakPolarHBondContact CA-OG1 3.42Å; A23-T26 PolarHBondContact O-N 3.4Å; A23-T26 PolarHBondContact O-OG1 2.9Å; T26-S28 PolarHBondContact O-N 3.34Å
27H91.6Very high91Very high108 Ų10886.1 Ų86.150%0.543%0.426SS..SBendtrans-70.8128.5-176.9-169.772.7000112A23 Y29 T30 R31A23-H27 WeakPolarHBondContact O-CB 3.2Å; A23-H27 PolarHBondContact O-N 3.23Å; H27-Y29 VanDerWaalsContact C-N 3.31Å; H27-Y29 PolarHBondContact O-N 3.18Å; H27-T30 PolarHBondContact O-N 3.11Å; H27-R31 VanDerWaalsContact O-CB 3.25Å; H27-R31 WeakPolarHBondContact O-CB 3.18Å; H27-R31 PolarHBondContact O-N 3.48Å
28S88.7Confident91Very high103 Ų10384 Ų8472%0.7241%0.413SS*.THydrogen-bonded Turntrans-59.8-37-169.7550000113.7T26T26-S28 PolarHBondContact O-N 3.34Å
29Y89.6Confident90.8Very high200 Ų20083.7 Ų83.778%0.78442%0.423SS*.THydrogen-bonded Turntrans-75-38.4-178.9-173-101.3000112.9H27H27-Y29 VanDerWaalsContact C-N 3.31Å; H27-Y29 PolarHBondContact O-N 3.18Å
30T90.4Very high90.7Very high30 Ų3084.7 Ų84.718%0.18443%0.425CS..THydrogen-bonded Turntrans-94-22-173.954.70000113.6L24 H27 N32 W33 Y34L24-T30 HydrophobicContact CD2-CG2 4.09Å; L24-T30 PolarHBondContact O-OG1 3.21Å; H27-T30 PolarHBondContact O-N 3.11Å; T30-N32 PolarHBondContact O-N 2.94Å; T30-W33 PolarHBondContact O-N 3.47Å; T30-Y34 VanDerWaalsContact O-CB 3.26Å; T30-Y34 WeakPolarHBondContact O-CB 3.18Å; T30-Y34 PolarHBondContact O-N 3.45Å
31R90.3Very high90.5Very high132 Ų13285.5 Ų85.550%0.49842%0.424SS..Hα-helixtrans-51.3-52.6-170.5176.2-179.979.4158.85113.7L24 R25 H27 T35L24-R31 WeakPolarHBondContact O-CA 3.44Å; L24-R31 PolarHBondContact O-N 3.17Å; R25-R31 WeakPolarHBondContact O-CB 3.49Å; R25-R31 VanDerWaalsContact O-CD 3.28Å; R25-R31 WeakPolarHBondContact O-CD 3.39Å; R25-R31 WeakPolarHBondContact O-CG 3.25Å; H27-R31 VanDerWaalsContact O-CB 3.25Å; H27-R31 WeakPolarHBondContact O-CB 3.18Å; H27-R31 PolarHBondContact O-N 3.48Å; R31-T35 VanDerWaalsContact O-CB 3.26Å; R31-T35 WeakPolarHBondContact O-CB 3.42Å; R31-T35 PolarHBondContact O-N 3.43Å; R31-T35 PolarHBondContact O-OG1 3.16Å
32N91.3Very high90.5Very high108 Ų10886.1 Ų86.158%0.57843%0.432SS*.Hα-helixtrans-65.8-48.9-173.3-67.3-4.8000110.3T30 Y34 E36T30-N32 PolarHBondContact O-N 2.94Å; N32-Y34 PolarHBondContact O-N 2.9Å; N32-E36 WeakPolarHBondContact O-CB 3.38Å; N32-E36 PolarHBondContact O-N 2.87Å
33W92.3Very high90.6Very high160 Ų16085.6 Ų85.661%0.60643%0.429SS*.Hα-helixtrans-59.6-47.6177.1172.880.7000112.2T30 E36 F37T30-W33 PolarHBondContact O-N 3.47Å; W33-E36 PolarHBondContact O-N 3.36Å; W33-F37 VanDerWaalsContact O-CB 3.26Å; W33-F37 WeakPolarHBondContact O-CB 3.37Å; W33-F37 PolarHBondContact O-N 3Å
34Y91.9Very high90.6Very high19 Ų1985.1 Ų85.18%0.07542%0.423CS..Hα-helixtrans-68-41.2-177-176.2-114.5000112.5D21 L24 R25 T30 N32 E36 F37 I38D21-Y34 WeakPolarHBondContact CA-OH 3.48Å; D21-Y34 WeakPolarHBondContact OD1-CE1 3.46Å; D21-Y34 PolarHBondContact OD1-OH 2.92Å; D21-Y34 VanDerWaalsContact OD1-OH 3.07Å; L24-Y34 HydrophobicContact CB-CD1 3.53Å; L24-Y34 HydrophobicContact CB-CD2 4.03Å; L24-Y34 HydrophobicContact CB-CE1 3.67Å; L24-Y34 HydrophobicContact CB-CE2 4.17Å; L24-Y34 HydrophobicContact CB-CG 3.69Å; L24-Y34 HydrophobicContact CD1-CD2 3.78Å; L24-Y34 HydrophobicContact CD1-CE1 4.33Å; L24-Y34 HydrophobicContact CD1-CE2 3.46Å; L24-Y34 VanDerWaalsContact CD1-CE2 3.46Å; L24-Y34 HydrophobicContact CD1-CG 4.32Å; L24-Y34 HydrophobicContact CG-CD2 4.48Å; L24-Y34 HydrophobicContact CG-CE2 4.46Å; R25-Y34 HydrophobicContact CG-CD1 3.83Å; R25-Y34 HydrophobicContact CG-CE1 3.86Å; T30-Y34 VanDerWaalsContact O-CB 3.26Å; T30-Y34 WeakPolarHBondContact O-CB 3.18Å; T30-Y34 PolarHBondContact O-N 3.45Å; N32-Y34 PolarHBondContact O-N 2.9Å; Y34-E36 VanDerWaalsContact C-N 3.34Å; Y34-F37 PolarHBondContact O-N 3.33Å; Y34-I38 HydrophobicContact CD1-CD1 4.04Å; Y34-I38 HydrophobicContact CD2-CD1 4.36Å; Y34-I38 HydrophobicContact CD2-CG1 4.32Å; Y34-I38 HydrophobicContact CE1-CD1 3.34Å; Y34-I38 HydrophobicContact CE1-CG1 4.22Å; Y34-I38 HydrophobicContact CE2-CD1 3.71Å; Y34-I38 HydrophobicContact CE2-CG1 3.98Å; Y34-I38 WeakPolarHBondContact O-CB 3.47Å; Y34-I38 WeakPolarHBondContact O-CG1 3.26Å; Y34-I38 PolarHBondContact O-N 2.93Å; Y34-I38 WeakPolarHBondContact OH-CD1 3.23Å
35T89.9Confident90.5Very high64 Ų6485.3 Ų85.339%0.39342%0.422SS..Hα-helixtrans-64.5-42.3177.2-55.40000110.7R31 S39R31-T35 VanDerWaalsContact O-CB 3.26Å; R31-T35 WeakPolarHBondContact O-CB 3.42Å; R31-T35 PolarHBondContact O-N 3.43Å; R31-T35 PolarHBondContact O-OG1 3.16Å; T35-S39 VanDerWaalsContact O-CB 3.3Å; T35-S39 WeakPolarHBondContact O-CB 3.41Å; T35-S39 PolarHBondContact O-N 2.96Å; T35-S39 PolarHBondContact O-OG 2.86Å; T35-S39 VanDerWaalsContact O-OG 3.06Å
36E90.7Very high90.4Very high113 Ų11384.7 Ų84.753%0.52843%0.425SS..Hα-helixtrans-63.6-48.7174.9-173.4172.7-17500111N32 W33 Y34 I38 S39 Q40N32-E36 WeakPolarHBondContact O-CB 3.38Å; N32-E36 PolarHBondContact O-N 2.87Å; W33-E36 PolarHBondContact O-N 3.36Å; Y34-E36 VanDerWaalsContact C-N 3.34Å; E36-I38 PolarHBondContact O-N 3.41Å; E36-S39 WeakPolarHBondContact CA-OG 3Å; E36-S39 PolarHBondContact O-N 3.42Å; E36-S39 PolarHBondContact O-OG 3.47Å; E36-Q40 HydrophobicContact CG-CG 4.31Å; E36-Q40 WeakPolarHBondContact O-CB 3.47Å; E36-Q40 VanDerWaalsContact O-CG 3.31Å; E36-Q40 WeakPolarHBondContact O-CG 3.25Å; E36-Q40 PolarHBondContact O-N 3.41Å; E36-Q40 PolarHBondContact OE1-NE2 3.44Å; E36-Q40 VanDerWaalsContact OE1-NE2 3.15Å
37F91.6Very high90.1Very high77 Ų7785.4 Ų85.434%0.33843%0.425SS..Hα-helixtrans-55.5-50177175.1-99.2000112.7W33 Y34 S39 Q40 M41W33-F37 VanDerWaalsContact O-CB 3.26Å; W33-F37 WeakPolarHBondContact O-CB 3.37Å; W33-F37 PolarHBondContact O-N 3Å; Y34-F37 PolarHBondContact O-N 3.33Å; F37-S39 PolarHBondContact O-N 3.28Å; F37-Q40 PolarHBondContact O-N 2.92Å; F37-M41 HydrophobicContact CD2-CG 4.44Å; F37-M41 HydrophobicContact CE1-CG 4.37Å; F37-M41 HydrophobicContact CE2-CE 3.71Å; F37-M41 HydrophobicContact CE2-CG 4.07Å; F37-M41 HydrophobicContact CZ-CE 4.15Å; F37-M41 HydrophobicContact CZ-CG 4.03Å; F37-M41 WeakPolarHBondContact O-CB 3.42Å; F37-M41 WeakPolarHBondContact O-CG 3.32Å; F37-M41 PolarHBondContact O-N 3.28Å
38I91Very high90Very high11 Ų1182.4 Ų82.46%0.05641%0.412CS..Hα-helixtrans-62.8-42.7178.9-79.8-163.1000111.4D21 Y34 E36 M41 G42 I43 F45D21-I38 WeakPolarHBondContact OD1-CD1 3.47Å; Y34-I38 HydrophobicContact CD1-CD1 4.04Å; Y34-I38 HydrophobicContact CD2-CD1 4.36Å; Y34-I38 HydrophobicContact CD2-CG1 4.32Å; Y34-I38 HydrophobicContact CE1-CD1 3.34Å; Y34-I38 HydrophobicContact CE1-CG1 4.22Å; Y34-I38 HydrophobicContact CE2-CD1 3.71Å; Y34-I38 HydrophobicContact CE2-CG1 3.98Å; Y34-I38 WeakPolarHBondContact O-CB 3.47Å; Y34-I38 WeakPolarHBondContact O-CG1 3.26Å; Y34-I38 PolarHBondContact O-N 2.93Å; Y34-I38 WeakPolarHBondContact OH-CD1 3.23Å; E36-I38 PolarHBondContact O-N 3.41Å; I38-M41 PolarHBondContact O-N 3.19Å; I38-G42 WeakPolarHBondContact O-CA 3.39Å; I38-G42 PolarHBondContact O-N 3.23Å; I38-I43 WeakPolarHBondContact CG2-O 3.37Å; I38-I43 PolarHBondContact O-N 3.38Å; I38-F45 HydrophobicContact CD1-CD2 4.15Å; I38-F45 HydrophobicContact CD1-CE2 4.21Å
39S87.7Confident90.2Very high81 Ų8178.8 Ų78.857%0.56638%0.384SS*.Hα-helixtrans-67.8-37.5179.267.60000112.7T35 E36 F37 G42T35-S39 VanDerWaalsContact O-CB 3.3Å; T35-S39 WeakPolarHBondContact O-CB 3.41Å; T35-S39 PolarHBondContact O-N 2.96Å; T35-S39 PolarHBondContact O-OG 2.86Å; T35-S39 VanDerWaalsContact O-OG 3.06Å; E36-S39 WeakPolarHBondContact CA-OG 3Å; E36-S39 PolarHBondContact O-N 3.42Å; E36-S39 PolarHBondContact O-OG 3.47Å; F37-S39 PolarHBondContact O-N 3.28Å; S39-G42 PolarHBondContact O-N 3.09Å
40Q89.3Confident90.4Very high133 Ų13370.4 Ų70.462%0.62136%0.356SS*.Hα-helixtrans-65.9-40.6174.2-74.3-178.54.600112E36 F37 G42E36-Q40 HydrophobicContact CG-CG 4.31Å; E36-Q40 WeakPolarHBondContact O-CB 3.47Å; E36-Q40 VanDerWaalsContact O-CG 3.31Å; E36-Q40 WeakPolarHBondContact O-CG 3.25Å; E36-Q40 PolarHBondContact O-N 3.41Å; E36-Q40 PolarHBondContact OE1-NE2 3.44Å; E36-Q40 VanDerWaalsContact OE1-NE2 3.15Å; F37-Q40 PolarHBondContact O-N 2.92Å; Q40-G42 VanDerWaalsContact C-N 3.29Å
41M88.7Confident90.6Very high100 Ų10073.5 Ų73.549%0.49336%0.364SS..Hα-helixtrans-77.7-15.2177-67.9-66.4-177.800113F37 I38 I43 L52F37-M41 HydrophobicContact CD2-CG 4.44Å; F37-M41 HydrophobicContact CE1-CG 4.37Å; F37-M41 HydrophobicContact CE2-CE 3.71Å; F37-M41 HydrophobicContact CE2-CG 4.07Å; F37-M41 HydrophobicContact CZ-CE 4.15Å; F37-M41 HydrophobicContact CZ-CG 4.03Å; F37-M41 WeakPolarHBondContact O-CB 3.42Å; F37-M41 WeakPolarHBondContact O-CG 3.32Å; F37-M41 PolarHBondContact O-N 3.28Å; I38-M41 PolarHBondContact O-N 3.19Å; M41-I43 VanDerWaalsContact C-N 3.26Å; M41-I43 HydrophobicContact CB-CD1 3.69Å; M41-I43 HydrophobicContact CB-CG1 3.81Å; M41-I43 HydrophobicContact CG-CD1 4.39Å; M41-I43 PolarHBondContact O-N 3.11Å; M41-L52 WeakPolarHBondContact O-CD1 3.48Å
42G90.9Very high90.8Very high19 Ų1971.1 Ų71.120%0.19636%0.361CS..THydrogen-bonded Turntrans66.228-174.200000113I38 S39 Q40 L52 F53I38-G42 WeakPolarHBondContact O-CA 3.39Å; I38-G42 PolarHBondContact O-N 3.23Å; S39-G42 PolarHBondContact O-N 3.09Å; Q40-G42 VanDerWaalsContact C-N 3.29Å; G42-L52 CarbonylContact O-C 3.49Å; G42-L52 WeakPolarHBondContact O-CA 3.47Å; G42-F53 PolarHBondContact O-N 3.44Å
43I92Very high91Very high50 Ų5068.9 Ų68.926%0.25635%0.346SS..EExtended strand (participates in β ladder)trans-88.5151-179.4-63.6170.6000109I38 M41 F45 R51 L52I38-I43 WeakPolarHBondContact CG2-O 3.37Å; I38-I43 PolarHBondContact O-N 3.38Å; M41-I43 VanDerWaalsContact C-N 3.26Å; M41-I43 HydrophobicContact CB-CD1 3.69Å; M41-I43 HydrophobicContact CB-CG1 3.81Å; M41-I43 HydrophobicContact CG-CD1 4.39Å; M41-I43 PolarHBondContact O-N 3.11Å; I43-F45 HydrophobicContact CG2-CD2 4.12Å; I43-F45 HydrophobicContact CG2-CE1 4.26Å; I43-F45 HydrophobicContact CG2-CE2 3.48Å; I43-F45 VanDerWaalsContact CG2-CE2 3.48Å; I43-F45 HydrophobicContact CG2-CZ 3.57Å; I43-R51 CarbonylContact C-O 3.55Å; I43-R51 VanDerWaalsContact CA-O 3.26Å; I43-R51 WeakPolarHBondContact CA-O 3.24Å; I43-L52 HydrophobicContact CG1-CD1 3.82Å
44S91.1Very high91.1Very high41 Ų4163.3 Ų63.329%0.28733%0.33SS..EExtended strand (participates in β ladder)trans-148.7136.2165.967.90000110.2R51S44-R51 PolarHBondContact N-O 2.89Å; S44-R51 PolarHBondContact O-N 3.42Å; S44-R51 WeakPolarHBondContact OG-CB 3.3Å
45F90.6Very high91.2Very high52 Ų5268.5 Ų68.523%0.22836%0.355CS..EExtended strand (participates in β ladder)trans-108.8131.9175.8-60.9-76.3000109.7V17 D21 I38 I43 Q49 A50V17-F45 HydrophobicContact CG1-CD1 3.79Å; V17-F45 HydrophobicContact CG1-CE1 4.05Å; V17-F45 HydrophobicContact CG1-CG 4.38Å; D21-F45 HydrophobicContact CB-CB 4.15Å; D21-F45 HydrophobicContact CB-CD2 4.23Å; D21-F45 HydrophobicContact CB-CG 4.48Å; I38-F45 HydrophobicContact CD1-CD2 4.15Å; I38-F45 HydrophobicContact CD1-CE2 4.21Å; I43-F45 HydrophobicContact CG2-CD2 4.12Å; I43-F45 HydrophobicContact CG2-CE1 4.26Å; I43-F45 HydrophobicContact CG2-CE2 3.48Å; I43-F45 VanDerWaalsContact CG2-CE2 3.48Å; I43-F45 HydrophobicContact CG2-CZ 3.57Å; F45-Q49 WeakPolarHBondContact CA-O 3.46Å; F45-A50 HydrophobicContact CD1-CB 3.86Å; F45-A50 HydrophobicContact CE1-CB 3.87Å
46N87.3Confident91.4Very high76 Ų7675.5 Ų75.541%0.40637%0.374SS..EExtended strand (participates in β ladder)trans-129.8173.1172-78.3-25.7000108.2L48 Q49N46-L48 PolarHBondContact O-N 2.81Å; N46-L48 VanDerWaalsContact O-N 3.12Å; N46-Q49 HydrophobicContact CB-CB 4.15Å; N46-Q49 PolarHBondContact N-O 3.32Å; N46-Q49 PolarHBondContact O-N 3.38Å
47L86.1Confident91.5Very high117 Ų11772.4 Ų72.461%0.61336%0.361SS*.THydrogen-bonded Turntrans-56.2120177-173.666000111Q49L47-Q49 PolarHBondContact O-N 3.34Å; L47-Q49 VanDerWaalsContact O-N 3.11Å
48L88.6Confident91.7Very high45 Ų4569.8 Ų69.824%0.23635%0.35CS..THydrogen-bonded Turntrans55.518.4-174.9-7788000115.1F10 W14 N46 F163 G164F10-L48 HydrophobicContact CE1-CD2 3.98Å; F10-L48 HydrophobicContact CZ-CD2 4.31Å; W14-L48 HydrophobicContact CB-CG 4.3Å; W14-L48 HydrophobicContact CG-CG 4.2Å; W14-L48 VanDerWaalsContact CZ3-C 3.48Å; N46-L48 PolarHBondContact O-N 2.81Å; N46-L48 VanDerWaalsContact O-N 3.12Å; L48-F163 CarbonylContact O-C 3.58Å; L48-F163 WeakPolarHBondContact O-CA 3.3Å; L48-G164 PolarHBondContact O-N 3.49Å
49Q92.7Very high91.8Very high27 Ų2777.6 Ų77.613%0.12638%0.384CS..EExtended strand (participates in β ladder)trans-139.3128.4-176.3-169.4177.624.300113W14 F45 N46 L47 R51 V162 F163W14-Q49 VanDerWaalsContact CZ3-N 3.34Å; F45-Q49 WeakPolarHBondContact CA-O 3.46Å; N46-Q49 HydrophobicContact CB-CB 4.15Å; N46-Q49 PolarHBondContact N-O 3.32Å; N46-Q49 PolarHBondContact O-N 3.38Å; L47-Q49 PolarHBondContact O-N 3.34Å; L47-Q49 VanDerWaalsContact O-N 3.11Å; Q49-R51 HydrophobicContact CG-CG 4.07Å; Q49-V162 VanDerWaalsContact CA-O 3.3Å; Q49-V162 WeakPolarHBondContact CA-O 3.33Å; Q49-F163 HydrophobicContact CB-CD2 4.12Å; Q49-F163 HydrophobicContact CG-CD2 4.39Å
50A93.5Very high92.2Very high23 Ų2376.4 Ų76.419%0.1938%0.376CS..EExtended strand (participates in β ladder)trans-112.7136.7165.800000108.8W14 F45 F161 V162W14-A50 HydrophobicContact CH2-CB 4.18Å; W14-A50 HydrophobicContact CZ3-CB 4.35Å; F45-A50 HydrophobicContact CD1-CB 3.86Å; F45-A50 HydrophobicContact CE1-CB 3.87Å; A50-F161 CarbonylContact O-C 3.58Å; A50-F161 WeakPolarHBondContact O-CA 3.49Å; A50-F161 WeakPolarHBondContact O-CB 3.46Å; A50-V162 PolarHBondContact N-O 3.24Å; A50-V162 PolarHBondContact O-N 3.01Å
51R94.9Very high92.4Very high95 Ų9570.7 Ų70.736%0.35835%0.349SS..EExtended strand (participates in β ladder)trans-126.1144.1175.8-47.1-179.2177.7175.2-0110I43 S44 Q49 I160 F161I43-R51 CarbonylContact C-O 3.55Å; I43-R51 VanDerWaalsContact CA-O 3.26Å; I43-R51 WeakPolarHBondContact CA-O 3.24Å; S44-R51 PolarHBondContact N-O 2.89Å; S44-R51 PolarHBondContact O-N 3.42Å; S44-R51 WeakPolarHBondContact OG-CB 3.3Å; Q49-R51 HydrophobicContact CG-CG 4.07Å; R51-I160 CarbonylContact C-O 3.41Å; R51-I160 WeakPolarHBondContact CA-O 3.48Å; R51-F161 HydrophobicContact CB-CB 4.36Å; R51-F161 HydrophobicContact CG-CB 3.94Å
52L95.3Very high92.7Very high83 Ų8370.2 Ų70.244%0.43535%0.346SS..EExtended strand (participates in β ladder)trans-122124.7170.7176.767.9000107.4M41 G42 I43 G159 I160M41-L52 WeakPolarHBondContact O-CD1 3.48Å; G42-L52 CarbonylContact O-C 3.49Å; G42-L52 WeakPolarHBondContact O-CA 3.47Å; I43-L52 HydrophobicContact CG1-CD1 3.82Å; L52-G159 CarbonylContact O-C 3.53Å; L52-G159 WeakPolarHBondContact O-CA 3.34Å; L52-I160 PolarHBondContact N-O 3.47Å; L52-I160 PolarHBondContact O-N 3.43Å
53F95.8Very high92.8Very high60 Ų6076.3 Ų76.326%0.26336%0.364SS..EExtended strand (participates in β ladder)trans-122.7136.1-177.9-177.8-98.6000110.5G42 Q55 F170 D172G42-F53 PolarHBondContact O-N 3.44Å; F53-Q55 HydrophobicContact CE1-CG 4.09Å; F53-F170 AromaticContact CD2-CE2 3.82Å; F53-F170 HydrophobicContact CD2-CE2 3.82Å; F53-F170 AromaticContact CD2-CZ 3.88Å; F53-F170 HydrophobicContact CD2-CZ 3.88Å; F53-F170 HydrophobicContact CE2-CE2 4.25Å; F53-D172 HydrophobicContact CE2-CB 4Å
54T94.6Very high92.9Very high44 Ų4477 Ų7727%0.2737%0.367SS..EExtended strand (participates in β ladder)trans-144.9142.4180-167.90000112.4R56 L57 F158T54-R56 PolarHBondContact OG1-N 3.49Å; T54-L57 HydrophobicContact CG2-CD1 4.31Å; T54-L57 HydrophobicContact CG2-CG 4.28Å; T54-F158 PolarHBondContact N-O 2.83Å; T54-F158 PolarHBondContact O-N 3.49Å; T54-F158 VanDerWaalsContact O-O 3.07Å
55Q94Very high92.7Very high127 Ų12775.6 Ų75.659%0.59336%0.357SS*.SBendtrans-96-4.8173.4-55-173.8-20.300112.4F53 L57 N58 H156F53-Q55 HydrophobicContact CE1-CG 4.09Å; Q55-L57 VanDerWaalsContact C-N 3.28Å; Q55-L57 PolarHBondContact O-N 3.24Å; Q55-N58 WeakPolarHBondContact O-CB 3.39Å; Q55-N58 PolarHBondContact O-N 3.1Å; Q55-H156 WeakPolarHBondContact CG-O 3.26Å; Q55-H156 PolarHBondContact NE2-O 2.87Å
56R92.3Very high92.6Very high211 Ų21182.3 Ų82.380%0.79638%0.381SS*.THydrogen-bonded Turntrans-64.1-33.5-173.1-66.5-179-178.5172.81.9112.4T54 N58T54-R56 PolarHBondContact OG1-N 3.49Å; R56-N58 VanDerWaalsContact C-N 3.28Å; R56-N58 PolarHBondContact O-N 3.39Å
57L94.1Very high92.5Very high48 Ų4883.9 Ų83.925%0.25138%0.384SS..Hα-helixtrans-71-20.1-179.6-65.2177.7000113.4T54 Q55 K59 S60 F61 F138 F158T54-L57 HydrophobicContact CG2-CD1 4.31Å; T54-L57 HydrophobicContact CG2-CG 4.28Å; Q55-L57 VanDerWaalsContact C-N 3.28Å; Q55-L57 PolarHBondContact O-N 3.24Å; L57-K59 PolarHBondContact O-N 2.99Å; L57-S60 WeakPolarHBondContact O-CA 3.43Å; L57-S60 WeakPolarHBondContact O-CB 3.4Å; L57-S60 PolarHBondContact O-N 3.31Å; L57-F61 HydrophobicContact CB-CD2 4.34Å; L57-F61 HydrophobicContact CB-CE2 3.76Å; L57-F61 HydrophobicContact CB-CZ 4.22Å; L57-F61 VanDerWaalsContact O-CD2 3.26Å; L57-F61 WeakPolarHBondContact O-CD2 3.37Å; L57-F61 PolarHBondContact O-N 3Å; L57-F138 HydrophobicContact CD1-CE2 3.91Å; L57-F138 HydrophobicContact CD1-CZ 3.97Å; L57-F158 HydrophobicContact CB-CB 4.42Å; L57-F158 HydrophobicContact CD1-CB 4.07Å; L57-F158 HydrophobicContact CD1-CD1 3.74Å; L57-F158 HydrophobicContact CD1-CE1 4.43Å; L57-F158 HydrophobicContact CD1-CG 3.95Å
58N94.7Very high92.1Very high22 Ų2285.1 Ų85.112%0.11839%0.392CS..Hα-helixtrans-57-40.1-179.5-62.13.2000111.3Q55 R56 S60 F61 H62 L155 H156Q55-N58 WeakPolarHBondContact O-CB 3.39Å; Q55-N58 PolarHBondContact O-N 3.1Å; R56-N58 VanDerWaalsContact C-N 3.28Å; R56-N58 PolarHBondContact O-N 3.39Å; N58-S60 VanDerWaalsContact C-N 3.34Å; N58-S60 PolarHBondContact O-N 3.19Å; N58-F61 PolarHBondContact O-N 3.05Å; N58-H62 PolarHBondContact O-CD2 3.29Å; N58-H62 PolarHBondContact O-N 3.29Å; N58-L155 HydrophobicContact CB-CD1 4.48Å; N58-L155 PolarHBondContact ND2-O 3.22Å; N58-H156 PolarHBondContact ND2-O 3.36Å
59K94.3Very high92Very high175 Ų17589.3 Ų89.376%0.76142%0.423SS*.Hα-helixtrans-62.4-41.3176.4-67.6-177.6-179.6178.30111.9L57 H62 Y63L57-K59 PolarHBondContact O-N 2.99Å; K59-H62 PolarHBondContact O-N 3.43Å; K59-Y63 WeakPolarHBondContact O-CB 3.14Å; K59-Y63 PolarHBondContact O-N 2.91Å
60S94.8Very high91.7Very high57 Ų5791.3 Ų91.340%0.39943%0.434SS..Hα-helixtrans-65.1-43.6178.1-55.10000111.5L57 N58 H62 Y63 I64L57-S60 WeakPolarHBondContact O-CA 3.43Å; L57-S60 WeakPolarHBondContact O-CB 3.4Å; L57-S60 PolarHBondContact O-N 3.31Å; N58-S60 VanDerWaalsContact C-N 3.34Å; N58-S60 PolarHBondContact O-N 3.19Å; S60-H62 PolarHBondContact O-N 3.34Å; S60-Y63 WeakPolarHBondContact O-CB 3.28Å; S60-Y63 PolarHBondContact O-N 2.92Å; S60-Y63 VanDerWaalsContact O-N 3.15Å; S60-I64 VanDerWaalsContact O-CG1 3.3Å; S60-I64 WeakPolarHBondContact O-CG1 3.48Å; S60-I64 PolarHBondContact O-N 3.08Å
61F95Very high91.6Very high12 Ų1293.9 Ų93.95%0.05345%0.448CS..Hα-helixtrans-62.1-43.9175.6-61.6-49.5000111.9L57 N58 Y63 I64 C65 A142 A145 L146 V149 L155 F158L57-F61 HydrophobicContact CB-CD2 4.34Å; L57-F61 HydrophobicContact CB-CE2 3.76Å; L57-F61 HydrophobicContact CB-CZ 4.22Å; L57-F61 VanDerWaalsContact O-CD2 3.26Å; L57-F61 WeakPolarHBondContact O-CD2 3.37Å; L57-F61 PolarHBondContact O-N 3Å; N58-F61 PolarHBondContact O-N 3.05Å; F61-Y63 VanDerWaalsContact C-N 3.29Å; F61-Y63 PolarHBondContact O-N 3.46Å; F61-I64 PolarHBondContact O-N 2.86Å; F61-C65 PolarHBondContact O-N 3.39Å; F61-A142 HydrophobicContact CE1-CB 3.79Å; F61-A142 HydrophobicContact CZ-CB 4.2Å; F61-A145 HydrophobicContact CD1-CB 4.3Å; F61-A145 HydrophobicContact CD2-CB 3.83Å; F61-A145 HydrophobicContact CE1-CB 4.29Å; F61-A145 HydrophobicContact CE2-CB 3.81Å; F61-A145 HydrophobicContact CG-CB 4.09Å; F61-A145 HydrophobicContact CZ-CB 4.05Å; F61-L146 HydrophobicContact CB-CD2 4.23Å; F61-L146 HydrophobicContact CD1-CD2 3.94Å; F61-L146 HydrophobicContact CD1-CG 4.15Å; F61-V149 HydrophobicContact CB-CG2 4.32Å; F61-L155 HydrophobicContact CB-CD1 4.15Å; F61-L155 HydrophobicContact CD2-CD1 3.87Å; F61-L155 HydrophobicContact CG-CD1 4.42Å; F61-F158 HydrophobicContact CE2-CB 4.4Å; F61-F158 AromaticContact CE2-CD2 3.91Å; F61-F158 HydrophobicContact CE2-CD2 3.91Å; F61-F158 HydrophobicContact CE2-CG 4.4Å; F61-F158 AromaticContact CZ-CD2 3.85Å; F61-F158 HydrophobicContact CZ-CD2 3.85Å; F61-F158 HydrophobicContact CZ-CE2 4.13Å
62H93.4Very high91.6Very high91 Ų9190.5 Ų90.542%0.42144%0.435SS..Hα-helixtrans-60.8-36.9173.2-79-63.2000113.1N58 K59 S60 R66 V149N58-H62 PolarHBondContact O-CD2 3.29Å; N58-H62 PolarHBondContact O-N 3.29Å; K59-H62 PolarHBondContact O-N 3.43Å; S60-H62 PolarHBondContact O-N 3.34Å; H62-R66 WeakPolarHBondContact O-CG 3.46Å; H62-R66 PolarHBondContact O-N 3.03Å; H62-V149 WeakPolarHBondContact ND1-CG1 3.35Å
63Y93.7Very high91.5Very high147 Ų14789.4 Ų89.458%0.57643%0.43SS*.Hα-helixtrans-67.8-46.6176.4179.7-100.3000111.9K59 S60 F61 C65 R66 F67K59-Y63 WeakPolarHBondContact O-CB 3.14Å; K59-Y63 PolarHBondContact O-N 2.91Å; S60-Y63 WeakPolarHBondContact O-CB 3.28Å; S60-Y63 PolarHBondContact O-N 2.92Å; S60-Y63 VanDerWaalsContact O-N 3.15Å; F61-Y63 VanDerWaalsContact C-N 3.29Å; F61-Y63 PolarHBondContact O-N 3.46Å; Y63-C65 PolarHBondContact O-N 3.17Å; Y63-R66 WeakPolarHBondContact O-CB 3.4Å; Y63-R66 PolarHBondContact O-N 3.35Å; Y63-R66 VanDerWaalsContact O-N 3.11Å; Y63-F67 AromaticContact CD1-CE2 3.93Å; Y63-F67 HydrophobicContact CD1-CE2 3.93Å; Y63-F67 HydrophobicContact CD1-CZ 4.43Å; Y63-F67 AromaticContact CE1-CE2 3.49Å; Y63-F67 HydrophobicContact CE1-CE2 3.49Å; Y63-F67 VanDerWaalsContact CE1-CE2 3.49Å; Y63-F67 AromaticContact CE1-CZ 3.57Å; Y63-F67 HydrophobicContact CE1-CZ 3.57Å; Y63-F67 AromaticContact CZ-CZ 3.72Å
64I93.3Very high91.5Very high64 Ų6491.8 Ų91.833%0.32845%0.445SS..Hα-helixtrans-60.7-44.2179.5-66.7163.9000110.9S60 F61 R66 F67 W72 L146S60-I64 VanDerWaalsContact O-CG1 3.3Å; S60-I64 WeakPolarHBondContact O-CG1 3.48Å; S60-I64 PolarHBondContact O-N 3.08Å; F61-I64 PolarHBondContact O-N 2.86Å; I64-R66 PolarHBondContact O-N 3.32Å; I64-F67 WeakPolarHBondContact O-CD2 3.25Å; I64-F67 PolarHBondContact O-N 3.02Å; I64-W72 HydrophobicContact CG2-CH2 3.77Å; I64-W72 HydrophobicContact CG2-CZ2 3.91Å; I64-W72 WeakPolarHBondContact O-CZ2 3.46Å; I64-L146 HydrophobicContact CB-CD2 3.94Å; I64-L146 HydrophobicContact CG2-CD2 3.77Å
65C88.5Confident91.7Very high12 Ų1292.5 Ų92.58%0.08144%0.443CS..THydrogen-bonded Turntrans-68.2-12.6178.7-71.70000114.5F61 Y63 F67 L146 V149F61-C65 PolarHBondContact O-N 3.39Å; Y63-C65 PolarHBondContact O-N 3.17Å; C65-F67 VanDerWaalsContact C-N 3.34Å; C65-L146 VanDerWaalsContact SG-CD2 3.56Å; C65-L146 PolarHBondContact SG-O 3.36Å; C65-L146 VanDerWaalsContact SG-O 3.4Å; C65-V149 HydrophobicContact CB-CG1 3.82Å
66R87.7Confident91.8Very high193 Ų19386.5 Ų86.573%0.72842%0.415SS*.THydrogen-bonded Turntrans-78.7-14.9175.3-76.6173.8-178.4-165.20.8113.4H62 Y63 I64 N68H62-R66 WeakPolarHBondContact O-CG 3.46Å; H62-R66 PolarHBondContact O-N 3.03Å; Y63-R66 WeakPolarHBondContact O-CB 3.4Å; Y63-R66 PolarHBondContact O-N 3.35Å; Y63-R66 VanDerWaalsContact O-N 3.11Å; I64-R66 PolarHBondContact O-N 3.32Å; R66-N68 PolarHBondContact O-N 3.1Å; R66-N68 PolarHBondContact O-OD1 3.02Å
67F86Confident92.1Very high108 Ų10877.4 Ų77.447%0.47438%0.383SS..  trans-68.396.1175.8-72.1-72.1000110.2Y63 I64 C65 C69 M70 W72Y63-F67 AromaticContact CD1-CE2 3.93Å; Y63-F67 HydrophobicContact CD1-CE2 3.93Å; Y63-F67 HydrophobicContact CD1-CZ 4.43Å; Y63-F67 AromaticContact CE1-CE2 3.49Å; Y63-F67 HydrophobicContact CE1-CE2 3.49Å; Y63-F67 VanDerWaalsContact CE1-CE2 3.49Å; Y63-F67 AromaticContact CE1-CZ 3.57Å; Y63-F67 HydrophobicContact CE1-CZ 3.57Å; Y63-F67 AromaticContact CZ-CZ 3.72Å; I64-F67 WeakPolarHBondContact O-CD2 3.25Å; I64-F67 PolarHBondContact O-N 3.02Å; C65-F67 VanDerWaalsContact C-N 3.34Å; F67-C69 PolarHBondContact O-N 3.16Å; F67-M70 PolarHBondContact O-N 3.4Å; F67-W72 PolarHBondContact O-NE1 3.42Å; F67-W72 VanDerWaalsContact O-NE1 3.16Å
68N77.2Confident92.3Very high144 Ų14477.6 Ų77.677%0.7739%0.388SS*.THydrogen-bonded Turntrans-69.2-15.7-176.9-73.7-16.8000114.1R66 M70R66-N68 PolarHBondContact O-N 3.1Å; R66-N68 PolarHBondContact O-OD1 3.02Å; N68-M70 PolarHBondContact O-N 3.04Å
69C85.6Confident92.5Very high133 Ų13376.5 Ų76.590%0.89938%0.382SS*.THydrogen-bonded Turntrans-63.9-24.8176.6-58.70000112.4F67F67-C69 PolarHBondContact O-N 3.16Å
70M86.5Confident92.6Very high69 Ų6968.8 Ų68.834%0.3435%0.35SS..SBendtrans-93.1123.1179.2-173.163.4175.700110.2F67 N68 W72 W75F67-M70 PolarHBondContact O-N 3.4Å; N68-M70 PolarHBondContact O-N 3.04Å; M70-W72 HydrophobicContact CB-CD2 4.41Å; M70-W72 HydrophobicContact CB-CZ2 4.12Å; M70-W72 HydrophobicContact CG-CD2 4.07Å; M70-W72 HydrophobicContact CG-CE3 4.31Å; M70-W72 HydrophobicContact CG-CH2 4.35Å; M70-W72 HydrophobicContact CG-CZ2 4.1Å; M70-W72 HydrophobicContact CG-CZ3 4.44Å; M70-W72 PolarHBondContact O-N 2.96Å; M70-W75 HydrophobicContact CE-CB 4.24Å; M70-W75 HydrophobicContact CE-CD2 3.65Å; M70-W75 HydrophobicContact CE-CE3 3.37Å; M70-W75 HydrophobicContact CE-CG 4.06Å; M70-W75 HydrophobicContact CE-CZ3 3.92Å
71P92Very high92.8Very high76 Ų7671.4 Ų71.449%0.49436%0.358SS..  trans-76.774.2177.432.5-36000111N73 L74 W75P71-N73 VanDerWaalsContact C-N 3.28Å; P71-N73 PolarHBondContact O-N 3.05Å; P71-N73 VanDerWaalsContact O-N 3.17Å; P71-L74 HydrophobicContact CB-CB 4.07Å; P71-L74 HydrophobicContact CG-CB 4.42Å; P71-L74 HydrophobicContact CG-CD2 4.44Å; P71-L74 WeakPolarHBondContact O-CB 3.37Å; P71-L74 PolarHBondContact O-N 3.34Å; P71-W75 PolarHBondContact O-N 3.49Å
72W94.3Very high92.9Very high25 Ų2573.9 Ų73.910%0.09537%0.369CS..Hα-helixtrans-51.8-40.9-175.6-66.2105.6000114.1I64 F67 M70 L74 W75 F76 R150I64-W72 HydrophobicContact CG2-CH2 3.77Å; I64-W72 HydrophobicContact CG2-CZ2 3.91Å; I64-W72 WeakPolarHBondContact O-CZ2 3.46Å; F67-W72 PolarHBondContact O-NE1 3.42Å; F67-W72 VanDerWaalsContact O-NE1 3.16Å; M70-W72 HydrophobicContact CB-CD2 4.41Å; M70-W72 HydrophobicContact CB-CZ2 4.12Å; M70-W72 HydrophobicContact CG-CD2 4.07Å; M70-W72 HydrophobicContact CG-CE3 4.31Å; M70-W72 HydrophobicContact CG-CH2 4.35Å; M70-W72 HydrophobicContact CG-CZ2 4.1Å; M70-W72 HydrophobicContact CG-CZ3 4.44Å; M70-W72 PolarHBondContact O-N 2.96Å; W72-L74 VanDerWaalsContact C-N 3.31Å; W72-L74 PolarHBondContact O-N 3.38Å; W72-W75 WeakPolarHBondContact O-CB 3.49Å; W72-W75 PolarHBondContact O-N 3.42Å; W72-F76 HydrophobicContact CB-CD2 4.42Å; W72-F76 HydrophobicContact CB-CE2 4.15Å; W72-F76 AromaticContact CE3-CE2 3.9Å; W72-F76 HydrophobicContact CE3-CE2 3.9Å; W72-F76 HydrophobicContact CE3-CZ 4.05Å; W72-F76 WeakPolarHBondContact O-CD2 3.19Å; W72-F76 PolarHBondContact O-N 3.45Å; W72-R150 HydrophobicContact CB-CG 4.12Å
73N94.1Very high93.2Very high60 Ų6069.5 Ų69.532%0.32135%0.349SS..Hα-helixtrans-62.8-39.8178.3-71.7-6.5000112P71 S77 R150P71-N73 VanDerWaalsContact C-N 3.28Å; P71-N73 PolarHBondContact O-N 3.05Å; P71-N73 VanDerWaalsContact O-N 3.17Å; N73-S77 VanDerWaalsContact O-CB 3.29Å; N73-S77 WeakPolarHBondContact O-CB 3.4Å; N73-S77 PolarHBondContact O-N 2.9Å; N73-S77 PolarHBondContact O-OG 2.91Å; N73-R150 PolarHBondContact ND2-NH2 3.45Å; N73-R150 VanDerWaalsContact ND2-NH2 3.2Å; N73-R150 WeakPolarHBondContact OD1-CG 3.23Å; N73-R150 PolarHBondContact OD1-NE 3.04Å; N73-R150 PolarHBondContact OD1-NH2 3.37Å
74L95.9Very high93.3Very high109 Ų10963.8 Ų63.857%0.57133%0.331SS*.Hα-helixtrans-68.8-45.8177.3-17859.8000110P71 W72 F76 S77 C78P71-L74 HydrophobicContact CB-CB 4.07Å; P71-L74 HydrophobicContact CG-CB 4.42Å; P71-L74 HydrophobicContact CG-CD2 4.44Å; P71-L74 WeakPolarHBondContact O-CB 3.37Å; P71-L74 PolarHBondContact O-N 3.34Å; W72-L74 VanDerWaalsContact C-N 3.31Å; W72-L74 PolarHBondContact O-N 3.38Å; L74-F76 PolarHBondContact O-N 3.15Å; L74-S77 PolarHBondContact O-N 2.93Å; L74-S77 VanDerWaalsContact O-N 3.1Å; L74-C78 PolarHBondContact O-N 2.9Å; L74-C78 PolarHBondContact O-SG 3.01Å; L74-C78 VanDerWaalsContact O-SG 3.32Å
75W97.4Very high93.5Very high60 Ų6065.7 Ų65.723%0.22734%0.341CS..Hα-helixtrans-50.7-53.5175.9179.4-103.1000112.5M70 P71 W72 S77 C78 G79 W195 H196 V199M70-W75 HydrophobicContact CE-CB 4.24Å; M70-W75 HydrophobicContact CE-CD2 3.65Å; M70-W75 HydrophobicContact CE-CE3 3.37Å; M70-W75 HydrophobicContact CE-CG 4.06Å; M70-W75 HydrophobicContact CE-CZ3 3.92Å; P71-W75 PolarHBondContact O-N 3.49Å; W72-W75 WeakPolarHBondContact O-CB 3.49Å; W72-W75 PolarHBondContact O-N 3.42Å; W75-S77 PolarHBondContact O-N 3.03Å; W75-C78 PolarHBondContact O-N 3.41Å; W75-G79 PolarHBondContact O-N 3.11Å; W75-W195 AromaticContact CD1-CD1 3.97Å; W75-W195 AromaticContact CD1-NE1 3.8Å; W75-W195 AromaticContact CD2-NE1 3.32Å; W75-W195 VanDerWaalsContact CD2-NE1 3.32Å; W75-W195 AromaticContact CE2-CD1 3.66Å; W75-W195 AromaticContact CE2-NE1 3.05Å; W75-W195 HydrophobicContact CE3-CZ2 4.28Å; W75-W195 AromaticContact CE3-NE1 3.81Å; W75-W195 AromaticContact CG-NE1 3.82Å; W75-W195 HydrophobicContact CH2-CZ2 4.3Å; W75-W195 AromaticContact CH2-NE1 3.84Å; W75-W195 AromaticContact CZ2-NE1 3.35Å; W75-W195 VanDerWaalsContact CZ2-NE1 3.35Å; W75-W195 HydrophobicContact CZ3-CZ2 4.11Å; W75-W195 AromaticContact NE1-CD1 3.5Å; W75-W195 AromaticContact NE1-NE1 3.37Å; W75-W195 PolarHBondContact O-NE1 3.27Å; W75-H196 AromaticContact NE1-CE1 3.32Å; W75-H196 PolarHBondContact NE1-CE1 2.97Å; W75-H196 VanDerWaalsContact NE1-CE1 3.32Å; W75-H196 AromaticContact NE1-NE2 3.35Å; W75-H196 PolarHBondContact NE1-NE2 3.33Å; W75-V199 HydrophobicContact CH2-CB 4.35Å; W75-V199 HydrophobicContact CH2-CG1 3.92Å; W75-V199 HydrophobicContact CH2-CG2 3.54Å; W75-V199 HydrophobicContact CZ2-CB 4.45Å; W75-V199 HydrophobicContact CZ2-CG1 4.24Å; W75-V199 HydrophobicContact CZ2-CG2 3.74Å
76F98Very high93.9Very high1 Ų165.7 Ų65.70%0.00434%0.341CS..Hα-helixtrans-71.8-29.1179.2-63-62000113W72 L74 G79 V80 L146 A147 R150 R188 A192 H196W72-F76 HydrophobicContact CB-CD2 4.42Å; W72-F76 HydrophobicContact CB-CE2 4.15Å; W72-F76 AromaticContact CE3-CE2 3.9Å; W72-F76 HydrophobicContact CE3-CE2 3.9Å; W72-F76 HydrophobicContact CE3-CZ 4.05Å; W72-F76 WeakPolarHBondContact O-CD2 3.19Å; W72-F76 PolarHBondContact O-N 3.45Å; L74-F76 PolarHBondContact O-N 3.15Å; F76-G79 WeakPolarHBondContact O-CA 3.42Å; F76-G79 PolarHBondContact O-N 3.32Å; F76-V80 PolarHBondContact O-N 3.06Å; F76-V80 VanDerWaalsContact O-N 3.09Å; F76-L146 HydrophobicContact CZ-CB 3.94Å; F76-A147 HydrophobicContact CD1-CB 3.78Å; F76-A147 HydrophobicContact CD2-CB 4.3Å; F76-A147 HydrophobicContact CE1-CB 3.57Å; F76-A147 HydrophobicContact CE2-CB 4.16Å; F76-A147 HydrophobicContact CG-CB 4.15Å; F76-A147 HydrophobicContact CZ-CB 3.81Å; F76-R150 HydrophobicContact CE2-CB 4.2Å; F76-R150 HydrophobicContact CE2-CG 4.49Å; F76-R188 HydrophobicContact CB-CB 3.98Å; F76-R188 HydrophobicContact CB-CG 4Å; F76-A192 HydrophobicContact CD1-CB 3.75Å; F76-A192 HydrophobicContact CE1-CB 3.77Å; F76-H196 AromaticContact CE1-CE1 3.72Å
77S97.6Very high94.4Very high20 Ų2057.3 Ų57.314%0.1431%0.311CS..Hα-helixtrans-68.5-37.2175.1-56.90000112N73 L74 W75 G79 V80 I81 R188N73-S77 VanDerWaalsContact O-CB 3.29Å; N73-S77 WeakPolarHBondContact O-CB 3.4Å; N73-S77 PolarHBondContact O-N 2.9Å; N73-S77 PolarHBondContact O-OG 2.91Å; L74-S77 PolarHBondContact O-N 2.93Å; L74-S77 VanDerWaalsContact O-N 3.1Å; W75-S77 PolarHBondContact O-N 3.03Å; S77-G79 VanDerWaalsContact C-N 3.25Å; S77-G79 PolarHBondContact O-N 2.91Å; S77-V80 PolarHBondContact O-N 3.29Å; S77-I81 PolarHBondContact O-N 3.48Å; S77-R188 PolarHBondContact OG-NE 3.46Å; S77-R188 PolarHBondContact OG-NH2 2.83Å
78C98Very high94.9Very high51 Ų5157 Ų5735%0.34532%0.317SS..Hα-helixtrans-59.5-40.6169.3-65.70000110.9L74 W75 V80 I81 F82 W195L74-C78 PolarHBondContact O-N 2.9Å; L74-C78 PolarHBondContact O-SG 3.01Å; L74-C78 VanDerWaalsContact O-SG 3.32Å; W75-C78 PolarHBondContact O-N 3.41Å; C78-V80 VanDerWaalsContact C-N 3.31Å; C78-V80 PolarHBondContact O-N 2.82Å; C78-I81 PolarHBondContact O-N 3.17Å; C78-F82 WeakPolarHBondContact O-CB 3.2Å; C78-F82 PolarHBondContact O-N 3.38Å; C78-W195 HydrophobicContact CB-CH2 4.32Å; C78-W195 HydrophobicContact CB-CZ2 4.2Å
79G98.2Very high95.8Very high0 Ų053.2 Ų53.20%030%0.299CS..Hα-helixtrans-57.8-38.4173.800000113.9W75 F76 S77 A83W75-G79 PolarHBondContact O-N 3.11Å; F76-G79 WeakPolarHBondContact O-CA 3.42Å; F76-G79 PolarHBondContact O-N 3.32Å; S77-G79 VanDerWaalsContact C-N 3.25Å; S77-G79 PolarHBondContact O-N 2.91Å; G79-A83 VanDerWaalsContact O-CB 3.25Å; G79-A83 WeakPolarHBondContact O-CB 3.38Å; G79-A83 PolarHBondContact O-N 3.42Å
80V98.3Very high96.2Very high13 Ų1346.9 Ų46.98%0.07926%0.256CS..Hα-helixtrans-63.8-46175.5177.80000111.5F76 S77 C78 A83 A84 F184 L187 R188 C191F76-V80 PolarHBondContact O-N 3.06Å; F76-V80 VanDerWaalsContact O-N 3.09Å; S77-V80 PolarHBondContact O-N 3.29Å; C78-V80 VanDerWaalsContact C-N 3.31Å; C78-V80 PolarHBondContact O-N 2.82Å; V80-A83 PolarHBondContact O-N 3.07Å; V80-A84 WeakPolarHBondContact O-CB 3.3Å; V80-A84 PolarHBondContact O-N 2.92Å; V80-F184 HydrophobicContact CG1-CE2 4.18Å; V80-L187 HydrophobicContact CG1-CB 4.01Å; V80-L187 HydrophobicContact CG1-CD1 4.1Å; V80-L187 HydrophobicContact CG2-CB 3.85Å; V80-R188 HydrophobicContact CG2-CG 3.98Å; V80-C191 HydrophobicContact CG2-CB 4.33Å
81I97.8Very high96.7Very high111 Ų11146.6 Ų46.657%0.56926%0.256SS*.Hα-helixtrans-63.3-47.1178.7-62170.6000110.1S77 C78 A84 I85S77-I81 PolarHBondContact O-N 3.48Å; C78-I81 PolarHBondContact O-N 3.17Å; I81-A84 PolarHBondContact O-N 3.36Å; I81-I85 HydrophobicContact CG2-CD1 4.1Å; I81-I85 WeakPolarHBondContact O-CG1 3.26Å; I81-I85 PolarHBondContact O-N 3.17Å; I81-I85 VanDerWaalsContact O-N 3.17Å
82F98.3Very high96.9Very high64 Ų6446.8 Ų46.828%0.28126%0.258SS..Hα-helixtrans-58.4-51.8177.4176.3-95.2000111.4C78 A84 I85 S86 V194 W195 A198 V474C78-F82 WeakPolarHBondContact O-CB 3.2Å; C78-F82 PolarHBondContact O-N 3.38Å; F82-A84 VanDerWaalsContact C-N 3.32Å; F82-A84 PolarHBondContact O-N 3.47Å; F82-I85 PolarHBondContact O-N 2.99Å; F82-S86 VanDerWaalsContact CE1-OG 3.31Å; F82-S86 WeakPolarHBondContact CE1-OG 3.37Å; F82-S86 VanDerWaalsContact CZ-OG 3.3Å; F82-S86 WeakPolarHBondContact CZ-OG 3.48Å; F82-S86 WeakPolarHBondContact O-CB 3.39Å; F82-S86 PolarHBondContact O-N 2.85Å; F82-S86 PolarHBondContact O-OG 3.37Å; F82-S86 VanDerWaalsContact O-OG 3.06Å; F82-V194 HydrophobicContact CD1-CG1 4.43Å; F82-V194 HydrophobicContact CE1-CG1 4.15Å; F82-W195 HydrophobicContact CB-CE3 3.83Å; F82-W195 HydrophobicContact CB-CZ3 3.92Å; F82-W195 HydrophobicContact CD1-CE3 4.06Å; F82-W195 HydrophobicContact CD2-CZ3 4.32Å; F82-W195 AromaticContact CG-CE3 3.91Å; F82-W195 HydrophobicContact CG-CE3 3.91Å; F82-W195 HydrophobicContact CG-CZ3 4.01Å; F82-A198 HydrophobicContact CD1-CB 4.07Å; F82-A198 HydrophobicContact CE1-CB 3.33Å; F82-A198 HydrophobicContact CE2-CB 4.08Å; F82-A198 HydrophobicContact CZ-CB 3.33Å; F82-V474 HydrophobicContact CE1-CG1 3.77Å; F82-V474 HydrophobicContact CZ-CG1 3.97Å
83A98.2Very high96.8Very high0 Ų047.5 Ų47.50%026%0.263CS..Hα-helixtrans-62-37.7-179.400000112.5G79 V80 I85 S86 M87 C191 V194 V478G79-A83 VanDerWaalsContact O-CB 3.25Å; G79-A83 WeakPolarHBondContact O-CB 3.38Å; G79-A83 PolarHBondContact O-N 3.42Å; V80-A83 PolarHBondContact O-N 3.07Å; A83-I85 PolarHBondContact O-N 3.49Å; A83-S86 PolarHBondContact O-N 3.31Å; A83-M87 WeakPolarHBondContact O-CB 3.2Å; A83-M87 PolarHBondContact O-N 2.89Å; A83-C191 HydrophobicContact CB-CB 3.74Å; A83-V194 HydrophobicContact CB-CG1 4.47Å; A83-V478 HydrophobicContact CB-CG2 4.21Å; A83-V478 VanDerWaalsContact O-CG2 3.28Å; A83-V478 WeakPolarHBondContact O-CG2 3.41Å
84A96.8Very high96.8Very high26 Ų2644.9 Ų44.922%0.21525%0.249CC..Hα-helixtrans-61.6-42.8175.700000112.2V80 I81 F82 F493V80-A84 WeakPolarHBondContact O-CB 3.3Å; V80-A84 PolarHBondContact O-N 2.92Å; I81-A84 PolarHBondContact O-N 3.36Å; F82-A84 VanDerWaalsContact C-N 3.32Å; F82-A84 PolarHBondContact O-N 3.47Å; A84-F493 HydrophobicContact CB-CE2 4.34Å
85I97.5Very high96.7Very high105 Ų10543 Ų4354%0.53824%0.243SC..Hα-helixtrans-67.9-47.9175.3-63.8167.4000110.1I81 F82 A83 M87 V88 V89I81-I85 HydrophobicContact CG2-CD1 4.1Å; I81-I85 WeakPolarHBondContact O-CG1 3.26Å; I81-I85 PolarHBondContact O-N 3.17Å; I81-I85 VanDerWaalsContact O-N 3.17Å; F82-I85 PolarHBondContact O-N 2.99Å; A83-I85 PolarHBondContact O-N 3.49Å; I85-M87 PolarHBondContact O-N 2.88Å; I85-V88 PolarHBondContact O-N 3.36Å; I85-V88 VanDerWaalsContact O-N 3.08Å; I85-V89 HydrophobicContact CG2-CG2 4.28Å; I85-V89 WeakPolarHBondContact O-CG2 3.32Å; I85-V89 PolarHBondContact O-N 3.45Å
86S97Very high96.4Very high11 Ų1143.7 Ų43.78%0.07725%0.25CS..Hα-helixtrans-61.3-29.9-179.9-63.50000113F82 A83 V89 S90F82-S86 VanDerWaalsContact CE1-OG 3.31Å; F82-S86 WeakPolarHBondContact CE1-OG 3.37Å; F82-S86 VanDerWaalsContact CZ-OG 3.3Å; F82-S86 WeakPolarHBondContact CZ-OG 3.48Å; F82-S86 WeakPolarHBondContact O-CB 3.39Å; F82-S86 PolarHBondContact O-N 2.85Å; F82-S86 PolarHBondContact O-OG 3.37Å; F82-S86 VanDerWaalsContact O-OG 3.06Å; A83-S86 PolarHBondContact O-N 3.31Å; S86-V89 PolarHBondContact O-N 3.29Å; S86-S90 VanDerWaalsContact O-CB 3.27Å; S86-S90 WeakPolarHBondContact O-CB 3.47Å; S86-S90 PolarHBondContact O-N 3.41Å; S86-S90 PolarHBondContact O-OG 2.87Å
87M97.3Very high96Very high17 Ų1745 Ų458%0.08426%0.257CS..Hα-helixtrans-62.8-41173.5-172.3168.946.300112.3A83 I85 S90 I91 V478A83-M87 WeakPolarHBondContact O-CB 3.2Å; A83-M87 PolarHBondContact O-N 2.89Å; I85-M87 PolarHBondContact O-N 2.88Å; M87-S90 PolarHBondContact O-OG 2.86Å; M87-I91 WeakPolarHBondContact O-CD1 3.35Å; M87-I91 VanDerWaalsContact O-CG1 3.32Å; M87-I91 WeakPolarHBondContact O-CG1 3.36Å; M87-I91 PolarHBondContact O-N 2.98Å; M87-V478 HydrophobicContact CB-CG2 3.9Å
88V96.5Very high95.7Very high101 Ų10144.5 Ų44.561%0.61225%0.254SS*.Hα-helixtrans-71.4-43.1176.3-179.80000110.3I85 S90 I91 C92I85-V88 PolarHBondContact O-N 3.36Å; I85-V88 VanDerWaalsContact O-N 3.08Å; V88-S90 VanDerWaalsContact C-N 3.33Å; V88-S90 PolarHBondContact O-N 2.78Å; V88-I91 PolarHBondContact O-N 2.95Å; V88-C92 PolarHBondContact O-N 3.42Å
89V96.1Very high95.4Very high65 Ų6547.6 Ų47.639%0.39426%0.26SS..Hα-helixtrans-61.3-41.4176.8174.60000111I85 S86 C92 L93I85-V89 HydrophobicContact CG2-CG2 4.28Å; I85-V89 WeakPolarHBondContact O-CG2 3.32Å; I85-V89 PolarHBondContact O-N 3.45Å; S86-V89 PolarHBondContact O-N 3.29Å; V89-C92 PolarHBondContact O-N 2.77Å; V89-L93 HydrophobicContact CG1-CD1 3.72Å; V89-L93 HydrophobicContact CG1-CG 4.07Å; V89-L93 WeakPolarHBondContact O-CB 3.35Å; V89-L93 VanDerWaalsContact O-CG 3.27Å; V89-L93 WeakPolarHBondContact O-CG 3.44Å; V89-L93 PolarHBondContact O-N 3.48Å
90S95.2Very high95Very high0 Ų048 Ų480%026%0.262CS..Hα-helixtrans-66.1-42.3-179.169.60000112.1S86 M87 V88 C92 L93 L94 I475 V479S86-S90 VanDerWaalsContact O-CB 3.27Å; S86-S90 WeakPolarHBondContact O-CB 3.47Å; S86-S90 PolarHBondContact O-N 3.41Å; S86-S90 PolarHBondContact O-OG 2.87Å; M87-S90 PolarHBondContact O-OG 2.86Å; V88-S90 VanDerWaalsContact C-N 3.33Å; V88-S90 PolarHBondContact O-N 2.78Å; S90-C92 PolarHBondContact O-N 3.35Å; S90-L93 PolarHBondContact O-N 2.94Å; S90-L94 WeakPolarHBondContact O-CB 3.39Å; S90-L94 PolarHBondContact O-N 3.23Å; S90-I475 WeakPolarHBondContact CB-O 3.49Å; S90-V479 WeakPolarHBondContact OG-CG2 3.45Å
91I96.1Very high94.3Very high64 Ų6448.8 Ų48.833%0.32827%0.267SS..Hα-helixtrans-60.6-46.1173.8-65.8166.8000110.3M87 V88 T95 P480 L522M87-I91 WeakPolarHBondContact O-CD1 3.35Å; M87-I91 VanDerWaalsContact O-CG1 3.32Å; M87-I91 WeakPolarHBondContact O-CG1 3.36Å; M87-I91 PolarHBondContact O-N 2.98Å; V88-I91 PolarHBondContact O-N 2.95Å; I91-T95 WeakPolarHBondContact O-CB 3.3Å; I91-T95 PolarHBondContact O-N 3.2Å; I91-T95 PolarHBondContact O-OG1 2.89Å; I91-P480 HydrophobicContact CD1-CG 4.02Å; I91-P480 HydrophobicContact CG1-CG 4.48Å; I91-L522 HydrophobicContact CG2-CD2 4.27Å
92C95.4Very high93.9Very high80 Ų8049.3 Ų49.354%0.54127%0.27SS..Hα-helixtrans-60.3-48177.7-175.60000111.7V88 V89 S90 T95 L96V88-C92 PolarHBondContact O-N 3.42Å; V89-C92 PolarHBondContact O-N 2.77Å; S90-C92 PolarHBondContact O-N 3.35Å; C92-T95 PolarHBondContact O-N 3.32Å; C92-L96 WeakPolarHBondContact O-CB 3.16Å; C92-L96 PolarHBondContact O-N 3.49Å
93L93.5Very high93.4Very high39 Ų3951.1 Ų51.120%0.20428%0.28CS..Hα-helixtrans-64.3-44.3180-73.7177.9000112.6V89 S90 T95 L96 L97 V111 L112 I475V89-L93 HydrophobicContact CG1-CD1 3.72Å; V89-L93 HydrophobicContact CG1-CG 4.07Å; V89-L93 WeakPolarHBondContact O-CB 3.35Å; V89-L93 VanDerWaalsContact O-CG 3.27Å; V89-L93 WeakPolarHBondContact O-CG 3.44Å; V89-L93 PolarHBondContact O-N 3.48Å; S90-L93 PolarHBondContact O-N 2.94Å; L93-T95 VanDerWaalsContact C-N 3.34Å; L93-L96 PolarHBondContact O-N 2.88Å; L93-L97 WeakPolarHBondContact O-CB 3.24Å; L93-L97 PolarHBondContact O-N 3.33Å; L93-V111 HydrophobicContact CD2-CG1 4.13Å; L93-L112 HydrophobicContact CB-CD1 3.7Å; L93-L112 HydrophobicContact CD1-CD1 4.19Å; L93-L112 HydrophobicContact CG-CD1 4.4Å; L93-I475 HydrophobicContact CD1-CD1 3.94Å; L93-I475 HydrophobicContact CD1-CG1 4.41Å
94L93Very high92.5Very high5 Ų561.6 Ų61.63%0.02632%0.32CS..Hα-helixtrans-67.3-34.4176.1-98.264.6000112.4S90 A98 I475 V479 L522 L523 N526S90-L94 WeakPolarHBondContact O-CB 3.39Å; S90-L94 PolarHBondContact O-N 3.23Å; L94-A98 WeakPolarHBondContact O-CB 3.41Å; L94-A98 PolarHBondContact O-N 3.22Å; L94-I475 HydrophobicContact CD1-CG2 3.97Å; L94-V479 HydrophobicContact CD2-CG1 4.48Å; L94-V479 HydrophobicContact CD2-CG2 3.95Å; L94-L522 HydrophobicContact CB-CD1 4.44Å; L94-L522 HydrophobicContact CB-CD2 3.78Å; L94-L522 HydrophobicContact CB-CG 3.95Å; L94-L522 HydrophobicContact CD2-CG 4.39Å; L94-L523 HydrophobicContact CD2-CB 4.37Å; L94-L523 HydrophobicContact CD2-CD1 3.98Å; L94-N526 PolarHBondContact O-ND2 3.4Å; L94-N526 PolarHBondContact O-OD1 3.49Å
95T94.3Very high91.6Very high71 Ų7164.6 Ų64.644%0.43633%0.328SS..Hα-helixtrans-67.5-44.1174.6-55.10000110.6I91 C92 L93 L97 A98 Y99I91-T95 WeakPolarHBondContact O-CB 3.3Å; I91-T95 PolarHBondContact O-N 3.2Å; I91-T95 PolarHBondContact O-OG1 2.89Å; C92-T95 PolarHBondContact O-N 3.32Å; L93-T95 VanDerWaalsContact C-N 3.34Å; T95-L97 VanDerWaalsContact C-N 3.35Å; T95-L97 PolarHBondContact O-N 3.31Å; T95-A98 PolarHBondContact O-N 3.42Å; T95-Y99 WeakPolarHBondContact O-CB 3.31Å; T95-Y99 PolarHBondContact O-N 3Å
96L92Very high90.3Very high74 Ų7463.7 Ų63.739%0.38733%0.329SS..Hα-helixtrans-63.3-39.9175.7-178.362.7000112C92 L93 Y99 N100C92-L96 WeakPolarHBondContact O-CB 3.16Å; C92-L96 PolarHBondContact O-N 3.49Å; L93-L96 PolarHBondContact O-N 2.88Å; L96-Y99 PolarHBondContact O-N 3.48Å; L96-N100 WeakPolarHBondContact O-CB 3.3Å; L96-N100 VanDerWaalsContact O-CG 3.3Å; L96-N100 PolarHBondContact O-N 3.31Å; L96-N100 PolarHBondContact O-ND2 2.97Å
97L89.8Confident88.8Confident27 Ų2766.8 Ų66.814%0.14134%0.344CS..Hα-helixtrans-61.5-49.1175.2178.861.3000111.2L93 T95 Y99 N100 T101 L112 N526L93-L97 WeakPolarHBondContact O-CB 3.24Å; L93-L97 PolarHBondContact O-N 3.33Å; T95-L97 VanDerWaalsContact C-N 3.35Å; T95-L97 PolarHBondContact O-N 3.31Å; L97-Y99 VanDerWaalsContact C-N 3.35Å; L97-Y99 PolarHBondContact O-N 3.01Å; L97-N100 PolarHBondContact O-N 3.42Å; L97-T101 VanDerWaalsContact O-CB 3.31Å; L97-T101 WeakPolarHBondContact O-CB 3.36Å; L97-T101 PolarHBondContact O-N 3.39Å; L97-T101 PolarHBondContact O-OG1 2.97Å; L97-L112 WeakPolarHBondContact CD1-O 3.49Å; L97-L112 HydrophobicContact CD2-CB 4.11Å; L97-N526 WeakPolarHBondContact CB-OD1 3.27Å; L97-N526 WeakPolarHBondContact CD2-OD1 3.34Å; L97-N526 VanDerWaalsContact CG-OD1 3.25Å; L97-N526 WeakPolarHBondContact CG-OD1 3.37Å
98A90.9Very high87.2Confident10 Ų1075.1 Ų75.18%0.08338%0.383CS..Hα-helixtrans-60.4-44.817700000111.6L94 T95 T101 L102 L525 N526 L529L94-A98 WeakPolarHBondContact O-CB 3.41Å; L94-A98 PolarHBondContact O-N 3.22Å; T95-A98 PolarHBondContact O-N 3.42Å; A98-T101 PolarHBondContact O-N 3.4Å; A98-L102 WeakPolarHBondContact O-CB 3.42Å; A98-L102 PolarHBondContact O-N 3.2Å; A98-L525 HydrophobicContact CB-CD2 4.15Å; A98-N526 PolarHBondContact N-OD1 3.47Å; A98-L529 HydrophobicContact CB-CD1 4.27Å
99Y91.7Very high85.5Confident116 Ų11673.4 Ų73.446%0.45537%0.373SS..Hα-helixtrans-61.8-50.6177.6177.2-99.5000112.5T95 L96 L97 T101 L102 M103T95-Y99 WeakPolarHBondContact O-CB 3.31Å; T95-Y99 PolarHBondContact O-N 3Å; L96-Y99 PolarHBondContact O-N 3.48Å; L97-Y99 VanDerWaalsContact C-N 3.35Å; L97-Y99 PolarHBondContact O-N 3.01Å; Y99-T101 VanDerWaalsContact C-N 3.3Å; Y99-T101 PolarHBondContact O-N 3.38Å; Y99-L102 PolarHBondContact O-N 3.48Å; Y99-M103 HydrophobicContact CD1-CG 4.48Å; Y99-M103 HydrophobicContact CD2-CE 4.31Å; Y99-M103 HydrophobicContact CD2-CG 4.26Å; Y99-M103 HydrophobicContact CE1-CG 4.12Å; Y99-M103 HydrophobicContact CE2-CE 3.57Å; Y99-M103 HydrophobicContact CE2-CG 3.88Å; Y99-M103 WeakPolarHBondContact O-CB 3.13Å; Y99-M103 VanDerWaalsContact O-CG 3.31Å; Y99-M103 WeakPolarHBondContact O-CG 3.25Å; Y99-M103 PolarHBondContact O-N 3.45Å
100N88.7Confident84Confident10 Ų1072 Ų725%0.05336%0.362CS..Hα-helixtrans-64.7-35.8-179-74.2-19.7000111.9L96 L97 R104 K105L96-N100 WeakPolarHBondContact O-CB 3.3Å; L96-N100 VanDerWaalsContact O-CG 3.3Å; L96-N100 PolarHBondContact O-N 3.31Å; L96-N100 PolarHBondContact O-ND2 2.97Å; L97-N100 PolarHBondContact O-N 3.42Å; N100-R104 PolarHBondContact O-N 3.41Å; N100-K105 HydrophobicContact CB-CD 4.48Å; N100-K105 PolarHBondContact O-N 3.44Å; N100-K105 VanDerWaalsContact O-N 3.12Å; N100-K105 WeakPolarHBondContact OD1-CD 3.48Å; N100-K105 PolarHBondContact OD1-NZ 3.45Å
101T85Confident82.4Confident29 Ų2977.1 Ų77.118%0.17839%0.393CS..Hα-helixtrans-69.2-43176.7-53.90000111.3L97 A98 Y99 M103 R104 L529L97-T101 VanDerWaalsContact O-CB 3.31Å; L97-T101 WeakPolarHBondContact O-CB 3.36Å; L97-T101 PolarHBondContact O-N 3.39Å; L97-T101 PolarHBondContact O-OG1 2.97Å; A98-T101 PolarHBondContact O-N 3.4Å; Y99-T101 VanDerWaalsContact C-N 3.3Å; Y99-T101 PolarHBondContact O-N 3.38Å; T101-M103 VanDerWaalsContact C-N 3.33Å; T101-M103 PolarHBondContact O-N 3.45Å; T101-R104 PolarHBondContact O-N 3.07Å; T101-L529 HydrophobicContact CG2-CB 3.93Å; T101-L529 HydrophobicContact CG2-CD1 4.42Å
102L88.3Confident80.9Confident121 Ų12176.1 Ų76.163%0.63439%0.388SS*.Hα-helixtrans-63.4-40175.6-17762.8000111.9A98 Y99 R104A98-L102 WeakPolarHBondContact O-CB 3.42Å; A98-L102 PolarHBondContact O-N 3.2Å; Y99-L102 PolarHBondContact O-N 3.48Å; L102-R104 PolarHBondContact O-N 3.31Å
103M88.4Confident79.6Confident102 Ų10276.7 Ų76.750%0.50239%0.385SS..THydrogen-bonded Turntrans-79.35.4177.8-64.9-60.917600114Y99 T101 K105Y99-M103 HydrophobicContact CD1-CG 4.48Å; Y99-M103 HydrophobicContact CD2-CE 4.31Å; Y99-M103 HydrophobicContact CD2-CG 4.26Å; Y99-M103 HydrophobicContact CE1-CG 4.12Å; Y99-M103 HydrophobicContact CE2-CE 3.57Å; Y99-M103 HydrophobicContact CE2-CG 3.88Å; Y99-M103 WeakPolarHBondContact O-CB 3.13Å; Y99-M103 VanDerWaalsContact O-CG 3.31Å; Y99-M103 WeakPolarHBondContact O-CG 3.25Å; Y99-M103 PolarHBondContact O-N 3.45Å; T101-M103 VanDerWaalsContact C-N 3.33Å; T101-M103 PolarHBondContact O-N 3.45Å; M103-K105 HydrophobicContact CB-CG 4.31Å; M103-K105 PolarHBondContact O-N 3.04Å; M103-K105 VanDerWaalsContact O-N 3.13Å
104R79.7Confident78.3Confident220 Ų22077.3 Ų77.383%0.8339%0.391SS*.THydrogen-bonded Turntrans49.337.3179.4-58.3-175.3178.9-156-0.3113.9N100 T101 L102N100-R104 PolarHBondContact O-N 3.41Å; T101-R104 PolarHBondContact O-N 3.07Å; L102-R104 PolarHBondContact O-N 3.31Å
105K76.4Confident77.2Confident90 Ų9079.8 Ų79.839%0.39141%0.406SS..  trans-67.2150.3174.2-67.9-167.5-176.7172.50110.5N100 M103 T109N100-K105 HydrophobicContact CB-CD 4.48Å; N100-K105 PolarHBondContact O-N 3.44Å; N100-K105 VanDerWaalsContact O-N 3.12Å; N100-K105 WeakPolarHBondContact OD1-CD 3.48Å; N100-K105 PolarHBondContact OD1-NZ 3.45Å; M103-K105 HydrophobicContact CB-CG 4.31Å; M103-K105 PolarHBondContact O-N 3.04Å; M103-K105 VanDerWaalsContact O-N 3.13Å; K105-T109 WeakPolarHBondContact CB-OG1 3.35Å
106P71Confident75.6Confident85 Ų8578 Ų7855%0.55239%0.393SS*.  trans-58.8145.8-179.722.8-32.2000111.8E108 T109P106-E108 PolarHBondContact O-N 3.08Å; P106-E108 VanDerWaalsContact O-N 3.12Å; P106-T109 HydrophobicContact CG-CG2 4.05Å; P106-T109 PolarHBondContact O-N 3.28Å; P106-T109 PolarHBondContact O-OG1 3.26Å
107I65.6Low74.1Confident76 Ų7678.2 Ų78.239%0.3940%0.399SS..G310 helixtrans-55.4-32.8-175.2-58.2172.5000111.7T109 Q110 I113I107-T109 PolarHBondContact O-N 2.95Å; I107-Q110 VanDerWaalsContact O-CB 3.32Å; I107-Q110 WeakPolarHBondContact O-CB 3.3Å; I107-Q110 PolarHBondContact O-N 2.91Å; I107-I113 HydrophobicContact CG2-CD1 4.12Å; I107-I113 HydrophobicContact CG2-CG1 4.38Å
108E63.3Low72.5Confident192 Ų19279.4 Ų79.490%0.89742%0.418SS*.G310 helixtrans-57.5-21.9177-61.4179.2-17900113.7P106P106-E108 PolarHBondContact O-N 3.08Å; P106-E108 VanDerWaalsContact O-N 3.12Å
109T61Low71.2Confident66 Ų6683.3 Ų83.341%0.40544%0.436SS..G310 helixtrans-89.9-1.4176.964.80000113.8K105 P106 I107K105-T109 WeakPolarHBondContact CB-OG1 3.35Å; P106-T109 HydrophobicContact CG-CG2 4.05Å; P106-T109 PolarHBondContact O-N 3.28Å; P106-T109 PolarHBondContact O-OG1 3.26Å; I107-T109 PolarHBondContact O-N 2.95Å
110Q63.9Low70.1Confident34 Ų3481.2 Ų81.216%0.15943%0.433CS..  trans-90.9120.4-178.1-61.1-177.8-21.600110.8I107I107-Q110 VanDerWaalsContact O-CB 3.32Å; I107-Q110 WeakPolarHBondContact O-CB 3.3Å; I107-Q110 PolarHBondContact O-N 2.91Å
111V62Low69.3Low108 Ų10881.2 Ų81.266%0.65543%0.433SS*.SBendtrans-73.4-29.9179-178.80000112.2L93L93-V111 HydrophobicContact CD2-CG1 4.13Å
112L65.8Low68.9Low43 Ų4383.2 Ų83.223%0.22545%0.446CS..  trans-119.8107.1178.9-80.3139.3000109L93 L97L93-L112 HydrophobicContact CB-CD1 3.7Å; L93-L112 HydrophobicContact CD1-CD1 4.19Å; L93-L112 HydrophobicContact CG-CD1 4.4Å; L97-L112 WeakPolarHBondContact CD1-O 3.49Å; L97-L112 HydrophobicContact CD2-CB 4.11Å
113I67.3Low68.4Low93 Ų9382.8 Ų82.848%0.47745%0.449SS..PPolyproline II helixtrans-97117.4173.6-56.9171.7000107.6I107 V115I107-I113 HydrophobicContact CG2-CD1 4.12Å; I107-I113 HydrophobicContact CG2-CG1 4.38Å; I113-V115 PolarHBondContact O-N 2.92Å
114P65.5Low68.1Low52 Ų5282.5 Ų82.534%0.33846%0.457SS..PPolyproline II helixtrans-61125.2174.121.9-29.6000110M116 N120 A530P114-M116 HydrophobicContact CB-CE 4.14Å; P114-M116 HydrophobicContact CG-CE 3.59Å; P114-M116 PolarHBondContact O-N 3.43Å; P114-N120 PolarHBondContact O-ND2 2.73Å; P114-A530 HydrophobicContact CG-CB 4.15Å
115V69.8Low68.3Low57 Ų5775.1 Ų75.135%0.34543%0.432SS..PPolyproline II helixtrans-76.9122.1178.2-174.60000109.5I113 L121 Y129I113-V115 PolarHBondContact O-N 2.92Å; V115-L121 HydrophobicContact CG1-CB 4.12Å; V115-L121 HydrophobicContact CG1-CD2 4.33Å; V115-Y129 VanDerWaalsContact CB-OH 3.26Å; V115-Y129 WeakPolarHBondContact CB-OH 3.45Å; V115-Y129 HydrophobicContact CG1-CE1 4.38Å; V115-Y129 HydrophobicContact CG1-CE2 3.9Å; V115-Y129 WeakPolarHBondContact CG1-OH 3.38Å; V115-Y129 HydrophobicContact CG2-CE2 4.49Å; V115-Y129 WeakPolarHBondContact CG2-OH 3.49Å
116M61.3Low68.7Low33 Ų3373.9 Ų73.916%0.16343%0.429CS..  trans-124.9107.6-175.3-59.5179.7-153.100110P114 G118 I119 N120 L121 L534P114-M116 HydrophobicContact CB-CE 4.14Å; P114-M116 HydrophobicContact CG-CE 3.59Å; P114-M116 PolarHBondContact O-N 3.43Å; M116-G118 PolarHBondContact O-N 3.08Å; M116-I119 HydrophobicContact CB-CB 4.2Å; M116-I119 HydrophobicContact CB-CD1 4.35Å; M116-I119 PolarHBondContact O-N 3.06Å; M116-I119 VanDerWaalsContact O-N 3.15Å; M116-I119 HydrophobicContact SD-CD1 4.21Å; M116-N120 WeakPolarHBondContact CA-OD1 3.34Å; M116-N120 PolarHBondContact N-OD1 3.29Å; M116-N120 PolarHBondContact O-N 3.47Å; M116-N120 PolarHBondContact O-OD1 2.78Å; M116-L121 PolarHBondContact O-N 3.47Å; M116-L534 HydrophobicContact CG-CD1 4.26Å; M116-L534 HydrophobicContact SD-CB 4.15Å; M116-L534 HydrophobicContact SD-CD1 3.36Å; M116-L534 WeakPolarHBondContact SD-CD1 3.32Å; M116-L534 HydrophobicContact SD-CG 4.27Å
117P60.6Low69.6Low79 Ų7972.3 Ų72.351%0.51343%0.429SS..BIsolated β-bridgetrans-52.2129175.4-28.236.2000112.8I119 L126P117-I119 VanDerWaalsContact C-N 3.31Å; P117-I119 PolarHBondContact O-N 3.31Å; P117-L126 HydrophobicContact CB-CD1 3.95Å; P117-L126 HydrophobicContact CG-CD1 3.86Å
118G56.6Low70.9Confident51 Ų5170.5 Ų70.553%0.52642%0.418SS..THydrogen-bonded Turntrans85-11.5178.800000115.6M116 L121M116-G118 PolarHBondContact O-N 3.08Å; G118-L121 WeakPolarHBondContact CA-O 3.47Å; G118-L121 PolarHBondContact N-O 3.16Å
119I62.8Low72.2Confident92 Ų9263 Ų6347%0.47238%0.382SS..THydrogen-bonded Turntrans-107.6-59.4176.9-63.6164.5000110.4M116 P117 L534M116-I119 HydrophobicContact CB-CB 4.2Å; M116-I119 HydrophobicContact CB-CD1 4.35Å; M116-I119 PolarHBondContact O-N 3.06Å; M116-I119 VanDerWaalsContact O-N 3.15Å; M116-I119 HydrophobicContact SD-CD1 4.21Å; P117-I119 VanDerWaalsContact C-N 3.31Å; P117-I119 PolarHBondContact O-N 3.31Å; I119-L534 HydrophobicContact CD1-CD1 3.3Å; I119-L534 HydrophobicContact CD1-CG 3.75Å
120N69.7Low73.7Confident72 Ų7261.1 Ų61.139%0.38537%0.372SS..THydrogen-bonded Turntrans-108.8-11.2176.465.11.7000113.4P114 M116P114-N120 PolarHBondContact O-ND2 2.73Å; M116-N120 WeakPolarHBondContact CA-OD1 3.34Å; M116-N120 PolarHBondContact N-OD1 3.29Å; M116-N120 PolarHBondContact O-N 3.47Å; M116-N120 PolarHBondContact O-OD1 2.78Å
121L72.3Confident75.1Confident10 Ų1064 Ų645%0.05239%0.389CS..BIsolated β-bridgetrans-118.3116.1174.1-176.972.1000109.6V115 M116 G118 H125 L126 Y129 Y465V115-L121 HydrophobicContact CG1-CB 4.12Å; V115-L121 HydrophobicContact CG1-CD2 4.33Å; M116-L121 PolarHBondContact O-N 3.47Å; G118-L121 WeakPolarHBondContact CA-O 3.47Å; G118-L121 PolarHBondContact N-O 3.16Å; L121-H125 HydrophobicContact CD1-CB 3.98Å; L121-H125 HydrophobicContact CG-CB 4.46Å; L121-L126 HydrophobicContact CD2-CD1 4.38Å; L121-Y129 HydrophobicContact CD1-CD2 4.28Å; L121-Y129 HydrophobicContact CD2-CD1 4.03Å; L121-Y129 HydrophobicContact CD2-CD2 3.93Å; L121-Y129 HydrophobicContact CD2-CE2 4.47Å; L121-Y129 HydrophobicContact CD2-CG 3.66Å; L121-Y465 WeakPolarHBondContact CD1-OH 3.43Å
122P76.5Confident76.7Confident71 Ų7159 Ų5946%0.46136%0.358SS..  trans-58.5142.9176.3-19.429.1000111.5S124 H125P122-S124 PolarHBondContact O-N 2.97Å; P122-H125 PolarHBondContact O-N 3.38Å
123T77.4Confident78.1Confident112 Ų11257.7 Ų57.769%0.68735%0.351SS*.G310 helixtrans-61.2-28-176.551.90000113.3H125 L126T123-H125 VanDerWaalsContact C-N 3.26Å; T123-H125 PolarHBondContact O-N 3.35Å; T123-L126 VanDerWaalsContact O-CB 3.27Å; T123-L126 WeakPolarHBondContact O-CB 3.38Å; T123-L126 PolarHBondContact O-N 3.43Å
124S80.8Confident79.5Confident96 Ų9655.1 Ų55.167%0.67134%0.338SS*.G310 helixtrans-61.8-30.2174.254.70000113.4P122P122-S124 PolarHBondContact O-N 2.97Å
125H84.5Confident81Confident65 Ų6555.8 Ų55.830%0.30134%0.338SS..G310 helixtrans-88.6-5.2179.4-69.8-76.7000113.4L121 P122 T123 G127 F128 Y129L121-H125 HydrophobicContact CD1-CB 3.98Å; L121-H125 HydrophobicContact CG-CB 4.46Å; P122-H125 PolarHBondContact O-N 3.38Å; T123-H125 VanDerWaalsContact C-N 3.26Å; T123-H125 PolarHBondContact O-N 3.35Å; H125-G127 PolarHBondContact O-N 3.23Å; H125-F128 PolarHBondContact O-N 3.02Å; H125-Y129 WeakPolarHBondContact O-CB 3.48Å; H125-Y129 PolarHBondContact O-N 3.07Å
126L86.2Confident82.4Confident64 Ų6453.1 Ų53.134%0.33532%0.322SS..Hα-helixtrans-60.6-44.6-172.6-176.759.2000112.8P117 L121 T123 Y129 A130P117-L126 HydrophobicContact CB-CD1 3.95Å; P117-L126 HydrophobicContact CG-CD1 3.86Å; L121-L126 HydrophobicContact CD2-CD1 4.38Å; T123-L126 VanDerWaalsContact O-CB 3.27Å; T123-L126 WeakPolarHBondContact O-CB 3.38Å; T123-L126 PolarHBondContact O-N 3.43Å; L126-Y129 PolarHBondContact O-N 3.25Å; L126-A130 VanDerWaalsContact O-CB 3.31Å; L126-A130 WeakPolarHBondContact O-CB 3.27Å; L126-A130 PolarHBondContact O-N 3.05Å
127G89.7Confident84.1Confident53 Ų5352 Ų5255%0.54632%0.318SS..Hα-helixtrans-64.7-40.8178.900000112.7H125 A130 L131H125-G127 PolarHBondContact O-N 3.23Å; G127-A130 PolarHBondContact O-N 2.93Å; G127-L131 WeakPolarHBondContact O-CB 3.28Å; G127-L131 PolarHBondContact O-N 3.24Å
128F91.3Very high85.9Confident37 Ų3751.5 Ų51.516%0.16231%0.308CS..Hα-helixtrans-67.9-40.6177.3-176-105.4000112H125 L131 T132 F458 L461 L462 Y465H125-F128 PolarHBondContact O-N 3.02Å; F128-L131 PolarHBondContact O-N 3.34Å; F128-T132 WeakPolarHBondContact O-CB 3.44Å; F128-T132 PolarHBondContact O-N 3.47Å; F128-T132 PolarHBondContact O-OG1 3.03Å; F128-F458 AromaticContact CD2-CE2 3.81Å; F128-F458 HydrophobicContact CD2-CE2 3.81Å; F128-F458 HydrophobicContact CD2-CZ 4.39Å; F128-F458 HydrophobicContact CE2-CD2 4.06Å; F128-F458 AromaticContact CE2-CE2 3.23Å; F128-F458 HydrophobicContact CE2-CE2 3.23Å; F128-F458 AromaticContact CE2-CZ 3.54Å; F128-F458 HydrophobicContact CE2-CZ 3.54Å; F128-F458 HydrophobicContact CZ-CD2 4.4Å; F128-F458 AromaticContact CZ-CE2 3.95Å; F128-F458 HydrophobicContact CZ-CE2 3.95Å; F128-F458 HydrophobicContact CZ-CZ 4.26Å; F128-L461 HydrophobicContact CD1-CD2 3.99Å; F128-L461 HydrophobicContact CD1-CG 4.33Å; F128-L461 HydrophobicContact CE1-CB 4.4Å; F128-L461 HydrophobicContact CE1-CD2 3.91Å; F128-L461 HydrophobicContact CE1-CG 3.85Å; F128-L462 HydrophobicContact CE2-CD1 4.22Å; F128-L462 HydrophobicContact CZ-CB 3.81Å; F128-L462 HydrophobicContact CZ-CD1 3.72Å; F128-L462 HydrophobicContact CZ-CG 4.35Å; F128-Y465 AromaticContact CD1-CD2 3.45Å; F128-Y465 HydrophobicContact CD1-CD2 3.45Å; F128-Y465 VanDerWaalsContact CD1-CD2 3.45Å; F128-Y465 AromaticContact CD1-CE2 3.55Å; F128-Y465 HydrophobicContact CD1-CE2 3.55Å; F128-Y465 AromaticContact CE1-CD2 3.51Å; F128-Y465 HydrophobicContact CE1-CD2 3.51Å; F128-Y465 AromaticContact CE1-CE2 3.97Å; F128-Y465 HydrophobicContact CE1-CE2 3.97Å; F128-Y465 HydrophobicContact CE1-CG 4.41Å
129Y91Very high87.8Confident36 Ų3651.8 Ų51.814%0.14130%0.297CS..Hα-helixtrans-63-46.2174-175-88.9000111.7V115 L121 H125 L126 L131 T132 L133 Y465 L469V115-Y129 VanDerWaalsContact CB-OH 3.26Å; V115-Y129 WeakPolarHBondContact CB-OH 3.45Å; V115-Y129 HydrophobicContact CG1-CE1 4.38Å; V115-Y129 HydrophobicContact CG1-CE2 3.9Å; V115-Y129 WeakPolarHBondContact CG1-OH 3.38Å; V115-Y129 HydrophobicContact CG2-CE2 4.49Å; V115-Y129 WeakPolarHBondContact CG2-OH 3.49Å; L121-Y129 HydrophobicContact CD1-CD2 4.28Å; L121-Y129 HydrophobicContact CD2-CD1 4.03Å; L121-Y129 HydrophobicContact CD2-CD2 3.93Å; L121-Y129 HydrophobicContact CD2-CE2 4.47Å; L121-Y129 HydrophobicContact CD2-CG 3.66Å; H125-Y129 WeakPolarHBondContact O-CB 3.48Å; H125-Y129 PolarHBondContact O-N 3.07Å; L126-Y129 PolarHBondContact O-N 3.25Å; Y129-L131 PolarHBondContact O-N 3.37Å; Y129-T132 PolarHBondContact O-N 3.45Å; Y129-L133 WeakPolarHBondContact O-CB 3.28Å; Y129-L133 PolarHBondContact O-N 2.95Å; Y129-Y465 HydrophobicContact CD2-CD2 4.26Å; Y129-Y465 HydrophobicContact CD2-CE2 4.25Å; Y129-Y465 HydrophobicContact CD2-CG 4.49Å; Y129-L469 HydrophobicContact CD2-CD1 4.04Å; Y129-L469 HydrophobicContact CD2-CD2 4.49Å; Y129-L469 HydrophobicContact CD2-CG 4.47Å; Y129-L469 HydrophobicContact CE1-CD2 3.82Å; Y129-L469 HydrophobicContact CE2-CD1 3.92Å; Y129-L469 HydrophobicContact CE2-CD2 3.6Å; Y129-L469 HydrophobicContact CE2-CG 3.87Å; Y129-L469 HydrophobicContact CG-CD1 4.4Å; Y129-L469 WeakPolarHBondContact OH-CD2 3.13Å
130A92.6Very high89.5Confident25 Ų2547.6 Ų47.621%0.20728%0.275CS..Hα-helixtrans-61.4-41.6177.100000112.3L126 G127 L133 L134 P167L126-A130 VanDerWaalsContact O-CB 3.31Å; L126-A130 WeakPolarHBondContact O-CB 3.27Å; L126-A130 PolarHBondContact O-N 3.05Å; G127-A130 PolarHBondContact O-N 2.93Å; A130-L133 PolarHBondContact O-N 2.87Å; A130-L134 PolarHBondContact O-N 3.38Å; A130-P167 HydrophobicContact CB-CG 4.12Å; A130-P167 VanDerWaalsContact O-CG 3.29Å; A130-P167 WeakPolarHBondContact O-CG 3.37Å
131L94Very high90.9Very high96 Ų9645.6 Ų45.650%0.50326%0.264SS..Hα-helixtrans-63.9-43.3174.718062.8000111.8G127 F128 Y129 L133 L134 I135G127-L131 WeakPolarHBondContact O-CB 3.28Å; G127-L131 PolarHBondContact O-N 3.24Å; F128-L131 PolarHBondContact O-N 3.34Å; Y129-L131 PolarHBondContact O-N 3.37Å; L131-L133 VanDerWaalsContact C-N 3.34Å; L131-L134 WeakPolarHBondContact O-CB 3.45Å; L131-L134 PolarHBondContact O-N 2.92Å; L131-I135 HydrophobicContact CG-CD1 4.29Å; L131-I135 WeakPolarHBondContact O-CG1 3.4Å; L131-I135 PolarHBondContact O-N 3.36Å
132T95.9Very high92.1Very high1 Ų145.7 Ų45.71%0.00627%0.266CS..Hα-helixtrans-64.3-41.7178.3-52.80000111.1F128 Y129 L134 I135 C136 L462 L466 L469F128-T132 WeakPolarHBondContact O-CB 3.44Å; F128-T132 PolarHBondContact O-N 3.47Å; F128-T132 PolarHBondContact O-OG1 3.03Å; Y129-T132 PolarHBondContact O-N 3.45Å; T132-L134 VanDerWaalsContact C-N 3.32Å; T132-L134 PolarHBondContact O-N 3.21Å; T132-I135 PolarHBondContact O-N 3.09Å; T132-C136 PolarHBondContact O-N 3.45Å; T132-C136 PolarHBondContact O-SG 2.96Å; T132-C136 VanDerWaalsContact O-SG 3.38Å; T132-L462 HydrophobicContact CG2-CD1 4.3Å; T132-L466 HydrophobicContact CG2-CD2 3.7Å; T132-L466 HydrophobicContact CG2-CG 3.89Å; T132-L469 HydrophobicContact CG2-CD1 3.87Å
133L95Very high93.1Very high17 Ų1742.3 Ų42.39%0.08924%0.244CC..Hα-helixtrans-59.7-43.4174.5179.464.5000111.5Y129 A130 L131 I135 C136 A137 Y166 P167 L469 L473Y129-L133 WeakPolarHBondContact O-CB 3.28Å; Y129-L133 PolarHBondContact O-N 2.95Å; A130-L133 PolarHBondContact O-N 2.87Å; L131-L133 VanDerWaalsContact C-N 3.34Å; L133-I135 VanDerWaalsContact C-N 3.35Å; L133-I135 PolarHBondContact O-N 2.91Å; L133-C136 PolarHBondContact O-N 3.42Å; L133-A137 WeakPolarHBondContact O-CB 3.25Å; L133-A137 PolarHBondContact O-N 2.91Å; L133-Y166 HydrophobicContact CD2-CD2 3.85Å; L133-Y166 HydrophobicContact CD2-CE2 3.63Å; L133-Y166 HydrophobicContact CG-CE2 4.49Å; L133-P167 HydrophobicContact CD2-CG 4.44Å; L133-L469 HydrophobicContact CB-CD1 4.07Å; L133-L469 HydrophobicContact CD1-CD2 4.01Å; L133-L473 HydrophobicContact CD1-CD1 4.25Å
134L96.5Very high94.1Very high39 Ų3937.4 Ų37.420%0.20421%0.213CC..Hα-helixtrans-62.1-40.6175.617960.8000112A130 L131 T132 A137 F138 I160 P167A130-L134 PolarHBondContact O-N 3.38Å; L131-L134 WeakPolarHBondContact O-CB 3.45Å; L131-L134 PolarHBondContact O-N 2.92Å; T132-L134 VanDerWaalsContact C-N 3.32Å; T132-L134 PolarHBondContact O-N 3.21Å; L134-A137 PolarHBondContact O-N 2.79Å; L134-F138 VanDerWaalsContact O-CB 3.23Å; L134-F138 WeakPolarHBondContact O-CB 2.92Å; L134-F138 PolarHBondContact O-N 2.91Å; L134-I160 HydrophobicContact CD1-CD1 4.36Å; L134-I160 HydrophobicContact CD1-CG1 4.28Å; L134-I160 HydrophobicContact CD1-CG2 3.76Å; L134-P167 HydrophobicContact CB-CB 4.15Å; L134-P167 HydrophobicContact CB-CG 4.29Å; L134-P167 HydrophobicContact CD1-CB 4.31Å
135I97.3Very high94.9Very high66 Ų6632.8 Ų32.834%0.33818%0.181SC..Hα-helixtrans-62.3-46.7176.1-68.5165.5000110.5L131 T132 L133 F138 I139 L466L131-I135 HydrophobicContact CG-CD1 4.29Å; L131-I135 WeakPolarHBondContact O-CG1 3.4Å; L131-I135 PolarHBondContact O-N 3.36Å; T132-I135 PolarHBondContact O-N 3.09Å; L133-I135 VanDerWaalsContact C-N 3.35Å; L133-I135 PolarHBondContact O-N 2.91Å; I135-F138 PolarHBondContact O-N 3Å; I135-I139 HydrophobicContact CG2-CD1 3.87Å; I135-I139 WeakPolarHBondContact O-CG1 3.29Å; I135-I139 PolarHBondContact O-N 3.04Å; I135-L466 HydrophobicContact CG2-CD2 4.36Å
136C98.1Very high95.5Very high0 Ų030.4 Ų30.40%017%0.17CC..Hα-helixtrans-60.1-48.8176.3-66.60000111.5T132 L133 F138 I139 H140 N197 L473T132-C136 PolarHBondContact O-N 3.45Å; T132-C136 PolarHBondContact O-SG 2.96Å; T132-C136 VanDerWaalsContact O-SG 3.38Å; L133-C136 PolarHBondContact O-N 3.42Å; C136-F138 VanDerWaalsContact C-N 3.35Å; C136-F138 PolarHBondContact O-N 2.94Å; C136-I139 PolarHBondContact O-N 2.91Å; C136-H140 WeakPolarHBondContact O-CB 3.24Å; C136-H140 PolarHBondContact O-N 2.85Å; C136-N197 PolarHBondContact O-OD1 3.38Å; C136-L473 HydrophobicContact CB-CD1 3.69Å
137A97.3Very high96Very high9 Ų927.3 Ų27.37%0.07415%0.154CC..Hα-helixtrans-61.8-42177.700000111.8L133 L134 I139 H140 E141 A169L133-A137 WeakPolarHBondContact O-CB 3.25Å; L133-A137 PolarHBondContact O-N 2.91Å; L134-A137 PolarHBondContact O-N 2.79Å; A137-I139 PolarHBondContact O-N 3.31Å; A137-H140 WeakPolarHBondContact O-CB 3.18Å; A137-H140 PolarHBondContact O-N 3.38Å; A137-E141 VanDerWaalsContact O-CG 3.3Å; A137-E141 WeakPolarHBondContact O-CG 3.36Å; A137-E141 PolarHBondContact O-N 2.76Å; A137-A169 HydrophobicContact CB-CB 4.26Å
138F97.6Very high96.4Very high70 Ų7024.8 Ų24.831%0.30713%0.128SC..Hα-helixtrans-59.5-47.1177.3-178.8-84.7000111.7L57 L134 I135 C136 H140 E141 A142 F158 A169L57-F138 HydrophobicContact CD1-CE2 3.91Å; L57-F138 HydrophobicContact CD1-CZ 3.97Å; L134-F138 VanDerWaalsContact O-CB 3.23Å; L134-F138 WeakPolarHBondContact O-CB 2.92Å; L134-F138 PolarHBondContact O-N 2.91Å; I135-F138 PolarHBondContact O-N 3Å; C136-F138 VanDerWaalsContact C-N 3.35Å; C136-F138 PolarHBondContact O-N 2.94Å; F138-H140 VanDerWaalsContact C-N 3.35Å; F138-E141 PolarHBondContact O-N 3.26Å; F138-A142 VanDerWaalsContact O-CB 3.32Å; F138-A142 WeakPolarHBondContact O-CB 3.26Å; F138-A142 PolarHBondContact O-N 2.94Å; F138-F158 HydrophobicContact CD2-CD1 4.4Å; F138-F158 AromaticContact CD2-CE1 3.33Å; F138-F158 HydrophobicContact CD2-CE1 3.33Å; F138-F158 AromaticContact CD2-CZ 3.56Å; F138-F158 HydrophobicContact CD2-CZ 3.56Å; F138-F158 HydrophobicContact CE2-CD1 4.01Å; F138-F158 AromaticContact CE2-CE1 3.32Å; F138-F158 HydrophobicContact CE2-CE1 3.32Å; F138-F158 AromaticContact CE2-CZ 3.7Å; F138-F158 HydrophobicContact CE2-CZ 3.7Å; F138-F158 HydrophobicContact CG-CE1 4.28Å; F138-F158 HydrophobicContact CG-CZ 4.07Å; F138-F158 HydrophobicContact CZ-CE1 4.26Å; F138-F158 HydrophobicContact CZ-CZ 4.33Å; F138-A169 HydrophobicContact CB-CB 4.43Å
139I98Very high96.6Very high57 Ų5723.9 Ų23.929%0.29213%0.126SC..Hα-helixtrans-70.1-34.1-179.4-65.5168.3000111.3I135 C136 A137 A142 G143 H196 I200I135-I139 HydrophobicContact CG2-CD1 3.87Å; I135-I139 WeakPolarHBondContact O-CG1 3.29Å; I135-I139 PolarHBondContact O-N 3.04Å; C136-I139 PolarHBondContact O-N 2.91Å; A137-I139 PolarHBondContact O-N 3.31Å; I139-A142 PolarHBondContact O-N 3.44Å; I139-G143 PolarHBondContact O-N 3.35Å; I139-H196 HydrophobicContact CG2-CB 4.07Å; I139-I200 HydrophobicContact CB-CD1 3.66Å; I139-I200 HydrophobicContact CD1-CD1 3.85Å; I139-I200 HydrophobicContact CD1-CG1 4.37Å; I139-I200 HydrophobicContact CG1-CD1 4.35Å; I139-I200 HydrophobicContact CG2-CD1 3.4Å; I139-I200 HydrophobicContact CG2-CG1 4.15Å
140H98.3Very high96.8Very high3 Ų326.7 Ų26.71%0.01414%0.136CC..Hα-helixtrans-56-54.6171.8-179.991000111.5C136 A137 F138 A142 G143 H144 G193 V194 N197 N477 D485C136-H140 WeakPolarHBondContact O-CB 3.24Å; C136-H140 PolarHBondContact O-N 2.85Å; A137-H140 WeakPolarHBondContact O-CB 3.18Å; A137-H140 PolarHBondContact O-N 3.38Å; F138-H140 VanDerWaalsContact C-N 3.35Å; H140-A142 VanDerWaalsContact C-N 3.32Å; H140-A142 PolarHBondContact O-N 2.84Å; H140-G143 WeakPolarHBondContact O-CA 3.37Å; H140-G143 PolarHBondContact O-N 3.03Å; H140-H144 AromaticContact CD2-CD2 3.91Å; H140-H144 AromaticContact CD2-NE2 3.69Å; H140-H144 AromaticContact CE1-NE2 3.88Å; H140-H144 AromaticContact NE2-CD2 3.9Å; H140-H144 AromaticContact NE2-NE2 3.21Å; H140-H144 PolarHBondContact NE2-NE2 3.24Å; H140-H144 PolarHBondContact O-N 2.67Å; H140-G193 WeakPolarHBondContact ND1-CA 3.19Å; H140-G193 PolarHBondContact ND1-O 3.37Å; H140-G193 WeakPolarHBondContact O-CA 3.46Å; H140-V194 PolarHBondContact CE1-N 3.14Å; H140-N197 PolarHBondContact ND1-ND2 3.49Å; H140-N477 PolarHBondContact CE1-ND2 3.28Å; H140-N477 PolarHBondContact NE2-ND2 2.89Å; H140-D485 IonicContact CE1-OD2 2.64Å; H140-D485 PolarHBondContact CE1-OD2 2.76Å; H140-D485 VanDerWaalsContact CE1-OD2 3.24Å; H140-D485 IonicContact NE2-OD2 3.44Å; H140-D485 PolarHBondContact NE2-OD2 3.42Å
141E98.1Very high96.9Very high31 Ų3126.8 Ų26.815%0.14513%0.132CC..Hα-helixtrans-66.2-35.3178.9-61.3-62.8151.700112.3A137 F138 G143 H144 A145 F158 A169 F170 V171A137-E141 VanDerWaalsContact O-CG 3.3Å; A137-E141 WeakPolarHBondContact O-CG 3.36Å; A137-E141 PolarHBondContact O-N 2.76Å; F138-E141 PolarHBondContact O-N 3.26Å; E141-G143 PolarHBondContact O-N 3.36Å; E141-H144 PolarHBondContact O-N 3.05Å; E141-H144 IonicContact OE2-CD2 3.85Å; E141-A145 PolarHBondContact O-N 3.25Å; E141-F158 HydrophobicContact CB-CD2 4.45Å; E141-F158 HydrophobicContact CB-CE2 3.4Å; E141-F158 VanDerWaalsContact CB-CE2 3.4Å; E141-F158 HydrophobicContact CB-CZ 3.64Å; E141-A169 HydrophobicContact CB-CB 4.34Å; E141-A169 HydrophobicContact CG-CB 3.8Å; E141-F170 WeakPolarHBondContact OE2-CA 3.06Å; E141-V171 HydrophobicContact CB-CB 4.48Å; E141-V171 WeakPolarHBondContact OE2-CG1 3.46Å; E141-V171 PolarHBondContact OE2-N 3.31Å
142A97.6Very high97Very high11 Ų1133.2 Ų33.29%0.09115%0.149CC..Hα-helixtrans-60.9-34.4171.900000111.2F61 F138 I139 H140 A145 L146F61-A142 HydrophobicContact CE1-CB 3.79Å; F61-A142 HydrophobicContact CZ-CB 4.2Å; F138-A142 VanDerWaalsContact O-CB 3.32Å; F138-A142 WeakPolarHBondContact O-CB 3.26Å; F138-A142 PolarHBondContact O-N 2.94Å; I139-A142 PolarHBondContact O-N 3.44Å; H140-A142 VanDerWaalsContact C-N 3.32Å; H140-A142 PolarHBondContact O-N 2.84Å; A142-A145 PolarHBondContact O-N 3.16Å; A142-L146 WeakPolarHBondContact O-CB 3.47Å; A142-L146 WeakPolarHBondContact O-CG 3.3Å; A142-L146 PolarHBondContact O-N 3.3Å
143G98Very high97Very high0 Ų033.3 Ų33.30%015%0.15CC..Hα-helixtrans-57.7-51.1171.900000112.2I139 H140 E141 A145 L146 A147 A192 H196I139-G143 PolarHBondContact O-N 3.35Å; H140-G143 WeakPolarHBondContact O-CA 3.37Å; H140-G143 PolarHBondContact O-N 3.03Å; E141-G143 PolarHBondContact O-N 3.36Å; G143-A145 VanDerWaalsContact C-N 3.35Å; G143-A145 PolarHBondContact O-N 3.25Å; G143-L146 PolarHBondContact O-N 3.44Å; G143-A147 WeakPolarHBondContact O-CB 3.3Å; G143-A147 PolarHBondContact O-N 3.23Å; G143-A192 VanDerWaalsContact C-CB 3.47Å; G143-A192 WeakPolarHBondContact O-CB 3.48Å; G143-H196 WeakPolarHBondContact CA-ND1 3.49Å
144H97.9Very high97Very high9 Ų941 Ų414%0.04218%0.178CC..Hα-helixtrans-59.1-44.9174.6-66.1-58.5000112H140 E141 L146 A147 A148 V171 V189 Y190 G193 D485H140-H144 AromaticContact CD2-CD2 3.91Å; H140-H144 AromaticContact CD2-NE2 3.69Å; H140-H144 AromaticContact CE1-NE2 3.88Å; H140-H144 AromaticContact NE2-CD2 3.9Å; H140-H144 AromaticContact NE2-NE2 3.21Å; H140-H144 PolarHBondContact NE2-NE2 3.24Å; H140-H144 PolarHBondContact O-N 2.67Å; E141-H144 PolarHBondContact O-N 3.05Å; E141-H144 IonicContact OE2-CD2 3.85Å; H144-L146 PolarHBondContact O-N 2.81Å; H144-A147 PolarHBondContact O-N 3.44Å; H144-A148 VanDerWaalsContact O-CB 3.25Å; H144-A148 WeakPolarHBondContact O-CB 3.33Å; H144-A148 PolarHBondContact O-N 3.49Å; H144-V171 HydrophobicContact CB-CG1 3.72Å; H144-V189 PolarHBondContact ND1-O 3.38Å; H144-Y190 PolarHBondContact CE1-O 2.92Å; H144-Y190 VanDerWaalsContact CE1-O 3.23Å; H144-G193 PolarHBondContact CE1-N 3.05Å; H144-D485 IonicContact CE1-OD2 3.48Å; H144-D485 IonicContact NE2-OD1 3Å; H144-D485 IonicContact NE2-OD2 3.81Å
145A97.6Very high97Very high0 Ų040 Ų400%017%0.173CC..Hα-helixtrans-60.8-46179.300000112.3F61 E141 A142 G143 A148 V149 L155 V171F61-A145 HydrophobicContact CD1-CB 4.3Å; F61-A145 HydrophobicContact CD2-CB 3.83Å; F61-A145 HydrophobicContact CE1-CB 4.29Å; F61-A145 HydrophobicContact CE2-CB 3.81Å; F61-A145 HydrophobicContact CG-CB 4.09Å; F61-A145 HydrophobicContact CZ-CB 4.05Å; E141-A145 PolarHBondContact O-N 3.25Å; A142-A145 PolarHBondContact O-N 3.16Å; G143-A145 VanDerWaalsContact C-N 3.35Å; G143-A145 PolarHBondContact O-N 3.25Å; A145-A148 PolarHBondContact O-N 3.25Å; A145-V149 WeakPolarHBondContact O-CG2 3.3Å; A145-V149 PolarHBondContact O-N 2.9Å; A145-L155 HydrophobicContact CB-CD1 4.33Å; A145-L155 HydrophobicContact CB-CD2 4.19Å; A145-V171 HydrophobicContact CB-CG2 3.91Å
146L97Very high96.9Very high14 Ų1440.6 Ų40.67%0.07317%0.174CC..Hα-helixtrans-65-41.3178.6-70169.7000111.6F61 I64 C65 F76 A142 G143 H144 R150F61-L146 HydrophobicContact CB-CD2 4.23Å; F61-L146 HydrophobicContact CD1-CD2 3.94Å; F61-L146 HydrophobicContact CD1-CG 4.15Å; I64-L146 HydrophobicContact CB-CD2 3.94Å; I64-L146 HydrophobicContact CG2-CD2 3.77Å; C65-L146 VanDerWaalsContact SG-CD2 3.56Å; C65-L146 PolarHBondContact SG-O 3.36Å; C65-L146 VanDerWaalsContact SG-O 3.4Å; F76-L146 HydrophobicContact CZ-CB 3.94Å; A142-L146 WeakPolarHBondContact O-CB 3.47Å; A142-L146 WeakPolarHBondContact O-CG 3.3Å; A142-L146 PolarHBondContact O-N 3.3Å; G143-L146 PolarHBondContact O-N 3.44Å; H144-L146 PolarHBondContact O-N 2.81Å; L146-R150 WeakPolarHBondContact O-CB 3.47Å; L146-R150 PolarHBondContact O-N 3.26Å
147A97.4Very high96.8Very high0 Ų040.6 Ų40.60%017%0.174CC..Hα-helixtrans-65.7-42.9175.800000111.9F76 G143 H144 R150 E151 V189 A192F76-A147 HydrophobicContact CD1-CB 3.78Å; F76-A147 HydrophobicContact CD2-CB 4.3Å; F76-A147 HydrophobicContact CE1-CB 3.57Å; F76-A147 HydrophobicContact CE2-CB 4.16Å; F76-A147 HydrophobicContact CG-CB 4.15Å; F76-A147 HydrophobicContact CZ-CB 3.81Å; G143-A147 WeakPolarHBondContact O-CB 3.3Å; G143-A147 PolarHBondContact O-N 3.23Å; H144-A147 PolarHBondContact O-N 3.44Å; A147-R150 WeakPolarHBondContact O-CB 3.39Å; A147-R150 PolarHBondContact O-N 2.98Å; A147-R150 VanDerWaalsContact O-N 3.17Å; A147-E151 PolarHBondContact O-N 3.01Å; A147-V189 HydrophobicContact CB-CB 4.4Å; A147-V189 HydrophobicContact CB-CG2 4.22Å; A147-A192 HydrophobicContact CB-CB 3.55Å
148A97.2Very high96.7Very high0 Ų040.3 Ų40.30%017%0.171CC..Hα-helixtrans-60.2-47176.800000111.4H144 A145 R150 E151 R152 V153 L155 L173 V189H144-A148 VanDerWaalsContact O-CB 3.25Å; H144-A148 WeakPolarHBondContact O-CB 3.33Å; H144-A148 PolarHBondContact O-N 3.49Å; A145-A148 PolarHBondContact O-N 3.25Å; A148-R150 VanDerWaalsContact C-N 3.27Å; A148-R150 PolarHBondContact O-N 2.91Å; A148-E151 CarbonylContact O-C 3.53Å; A148-E151 PolarHBondContact O-N 3.17Å; A148-R152 PolarHBondContact O-N 3.37Å; A148-V153 HydrophobicContact CB-CB 3.98Å; A148-V153 HydrophobicContact CB-CG1 4.26Å; A148-V153 PolarHBondContact O-N 2.93Å; A148-L155 HydrophobicContact CB-CD2 3.98Å; A148-L173 HydrophobicContact CB-CD1 4.1Å; A148-L173 HydrophobicContact CB-CD2 3.67Å; A148-V189 HydrophobicContact CB-CG1 4.18Å
149V95.6Very high96.7Very high18 Ų1837 Ų3711%0.10916%0.157CC..Hα-helixtrans-59-40.8174.91690000111.3F61 H62 C65 A145 R152 L155F61-V149 HydrophobicContact CB-CG2 4.32Å; H62-V149 WeakPolarHBondContact ND1-CG1 3.35Å; C65-V149 HydrophobicContact CB-CG1 3.82Å; A145-V149 WeakPolarHBondContact O-CG2 3.3Å; A145-V149 PolarHBondContact O-N 2.9Å; V149-R152 PolarHBondContact O-N 3.27Å; V149-L155 HydrophobicContact CG2-CD1 3.43Å; V149-L155 VanDerWaalsContact CG2-CD1 3.43Å; V149-L155 HydrophobicContact CG2-CD2 4.39Å; V149-L155 HydrophobicContact CG2-CG 3.83Å
150R95.5Very high96.6Very high94 Ų9437 Ų3736%0.35516%0.157SC..Hα-helixtrans-65.7-41.5179-17958-175.7177.82.4112.6W72 N73 F76 L146 A147 A148 R152W72-R150 HydrophobicContact CB-CG 4.12Å; N73-R150 PolarHBondContact ND2-NH2 3.45Å; N73-R150 VanDerWaalsContact ND2-NH2 3.2Å; N73-R150 WeakPolarHBondContact OD1-CG 3.23Å; N73-R150 PolarHBondContact OD1-NE 3.04Å; N73-R150 PolarHBondContact OD1-NH2 3.37Å; F76-R150 HydrophobicContact CE2-CB 4.2Å; F76-R150 HydrophobicContact CE2-CG 4.49Å; L146-R150 WeakPolarHBondContact O-CB 3.47Å; L146-R150 PolarHBondContact O-N 3.26Å; A147-R150 WeakPolarHBondContact O-CB 3.39Å; A147-R150 PolarHBondContact O-N 2.98Å; A147-R150 VanDerWaalsContact O-N 3.17Å; A148-R150 VanDerWaalsContact C-N 3.27Å; A148-R150 PolarHBondContact O-N 2.91Å; R150-R152 PolarHBondContact O-N 3.34Å
151E95.7Very high96.5Very high28 Ų2838.8 Ų38.813%0.13117%0.165CC..THydrogen-bonded Turntrans-8311.2175.6-60.9-64.2161.600112.7A147 A148 V153 L181 C185 R188 V189A147-E151 PolarHBondContact O-N 3.01Å; A148-E151 CarbonylContact O-C 3.53Å; A148-E151 PolarHBondContact O-N 3.17Å; E151-V153 VanDerWaalsContact C-N 3.29Å; E151-V153 PolarHBondContact O-N 3.45Å; E151-L181 HydrophobicContact CB-CD1 3.85Å; E151-C185 HydrophobicContact CG-CB 4.35Å; E151-C185 WeakPolarHBondContact OE2-CB 3.47Å; E151-C185 PolarHBondContact OE2-SG 2.94Å; E151-R188 WeakPolarHBondContact OE1-CD 3.47Å; E151-R188 IonicContact OE1-CZ 3.79Å; E151-R188 IonicContact OE1-NE 3.88Å; E151-R188 IonicContact OE1-NH1 2.87Å; E151-R188 PolarHBondContact OE1-NH1 3.11Å; E151-V189 HydrophobicContact CB-CG2 4.26Å; E151-V189 HydrophobicContact CG-CG2 4.12Å
152R94.9Very high96.3Very high230 Ų23040 Ų4087%0.86817%0.174SC*.THydrogen-bonded Turntrans6327175.8-52-179.9179-172.1-0.6114.9A148 V149 R150A148-R152 PolarHBondContact O-N 3.37Å; V149-R152 PolarHBondContact O-N 3.27Å; R150-R152 PolarHBondContact O-N 3.34Å
153V96.4Very high95.9Very high4 Ų444.7 Ų44.72%0.02419%0.193CC..PPolyproline II helixtrans-80.8136170.9175.20000109.6A148 E151 L173 D177 L178 L181A148-V153 HydrophobicContact CB-CB 3.98Å; A148-V153 HydrophobicContact CB-CG1 4.26Å; A148-V153 PolarHBondContact O-N 2.93Å; E151-V153 VanDerWaalsContact C-N 3.29Å; E151-V153 PolarHBondContact O-N 3.45Å; V153-L173 HydrophobicContact CG1-CB 4.4Å; V153-D177 HydrophobicContact CB-CB 4.43Å; V153-D177 HydrophobicContact CG1-CB 4.05Å; V153-D177 HydrophobicContact CG2-CB 4.35Å; V153-L178 HydrophobicContact CG1-CB 4.43Å; V153-L178 HydrophobicContact CG2-CD1 4.34Å; V153-L181 HydrophobicContact CG2-CD1 3.62Å; V153-L181 HydrophobicContact CG2-CD2 4.42Å; V153-L181 HydrophobicContact CG2-CG 4.12Å
154R96Very high95.4Very high177 Ų17745.1 Ų45.167%0.66820%0.198SC*.PPolyproline II helixtrans-73.6132.4179.6-64.4174.7-175.3-176.82.2111.2N174 D177R154-N174 HydrophobicContact CB-CB 4.12Å; R154-N174 PolarHBondContact O-N 3.35Å; R154-D177 WeakPolarHBondContact CB-OD2 3.34Å; R154-D177 WeakPolarHBondContact CD-OD2 3.38Å; R154-D177 VanDerWaalsContact CG-OD2 3.23Å; R154-D177 WeakPolarHBondContact CG-OD2 3.28Å; R154-D177 PolarHBondContact N-OD2 3.39Å
155L96.2Very high94.7Very high19 Ų1950.4 Ų50.410%0.09922%0.221CC..EExtended strand (participates in β ladder)trans-88.5123.2171.3-59.1-178.7000109.5N58 F61 A145 A148 V149 V171 L173N58-L155 HydrophobicContact CB-CD1 4.48Å; N58-L155 PolarHBondContact ND2-O 3.22Å; F61-L155 HydrophobicContact CB-CD1 4.15Å; F61-L155 HydrophobicContact CD2-CD1 3.87Å; F61-L155 HydrophobicContact CG-CD1 4.42Å; A145-L155 HydrophobicContact CB-CD1 4.33Å; A145-L155 HydrophobicContact CB-CD2 4.19Å; A148-L155 HydrophobicContact CB-CD2 3.98Å; V149-L155 HydrophobicContact CG2-CD1 3.43Å; V149-L155 VanDerWaalsContact CG2-CD1 3.43Å; V149-L155 HydrophobicContact CG2-CD2 4.39Å; V149-L155 HydrophobicContact CG2-CG 3.83Å; L155-V171 HydrophobicContact CD2-CG2 4.25Å; L155-L173 HydrophobicContact CD2-CD2 3.19Å
156H95.2Very high94.2Very high79 Ų7955.4 Ų55.437%0.36624%0.24SC..EExtended strand (participates in β ladder)trans-75.8-44.1168.1-65149.7000110.4Q55 N58 D172Q55-H156 WeakPolarHBondContact CG-O 3.26Å; Q55-H156 PolarHBondContact NE2-O 2.87Å; N58-H156 PolarHBondContact ND2-O 3.36Å; H156-D172 HydrophobicContact CB-CB 3.97Å; H156-D172 IonicContact CG-OD1 3.1Å; H156-D172 IonicContact CG-OD2 2.93Å; H156-D172 PolarHBondContact N-O 2.88Å; H156-D172 IonicContact ND1-OD1 3.85Å; H156-D172 PolarHBondContact ND1-OD1 2.89Å; H156-D172 IonicContact ND1-OD2 2.86Å; H156-D172 PolarHBondContact ND1-OD2 3.03Å
157G95Very high94.1Very high0 Ų055.4 Ų55.40%024%0.241CC..EExtended strand (participates in β ladder)trans171.7-172.3178.100000113D172G157-D172 PolarHBondContact N-O 3.44Å; G157-D172 PolarHBondContact O-N 3.44Å
158F96.7Very high93.9Very high2 Ų255.4 Ų55.41%0.00924%0.241CC..EExtended strand (participates in β ladder)trans-132.4146.9-178.1-167.9-80.6000109.1T54 L57 F61 F138 E141 A169 V171T54-F158 PolarHBondContact N-O 2.83Å; T54-F158 PolarHBondContact O-N 3.49Å; T54-F158 VanDerWaalsContact O-O 3.07Å; L57-F158 HydrophobicContact CB-CB 4.42Å; L57-F158 HydrophobicContact CD1-CB 4.07Å; L57-F158 HydrophobicContact CD1-CD1 3.74Å; L57-F158 HydrophobicContact CD1-CE1 4.43Å; L57-F158 HydrophobicContact CD1-CG 3.95Å; F61-F158 HydrophobicContact CE2-CB 4.4Å; F61-F158 AromaticContact CE2-CD2 3.91Å; F61-F158 HydrophobicContact CE2-CD2 3.91Å; F61-F158 HydrophobicContact CE2-CG 4.4Å; F61-F158 AromaticContact CZ-CD2 3.85Å; F61-F158 HydrophobicContact CZ-CD2 3.85Å; F61-F158 HydrophobicContact CZ-CE2 4.13Å; F138-F158 HydrophobicContact CD2-CD1 4.4Å; F138-F158 AromaticContact CD2-CE1 3.33Å; F138-F158 HydrophobicContact CD2-CE1 3.33Å; F138-F158 AromaticContact CD2-CZ 3.56Å; F138-F158 HydrophobicContact CD2-CZ 3.56Å; F138-F158 HydrophobicContact CE2-CD1 4.01Å; F138-F158 AromaticContact CE2-CE1 3.32Å; F138-F158 HydrophobicContact CE2-CE1 3.32Å; F138-F158 AromaticContact CE2-CZ 3.7Å; F138-F158 HydrophobicContact CE2-CZ 3.7Å; F138-F158 HydrophobicContact CG-CE1 4.28Å; F138-F158 HydrophobicContact CG-CZ 4.07Å; F138-F158 HydrophobicContact CZ-CE1 4.26Å; F138-F158 HydrophobicContact CZ-CZ 4.33Å; E141-F158 HydrophobicContact CB-CD2 4.45Å; E141-F158 HydrophobicContact CB-CE2 3.4Å; E141-F158 VanDerWaalsContact CB-CE2 3.4Å; E141-F158 HydrophobicContact CB-CZ 3.64Å; F158-A169 HydrophobicContact CE1-CB 4.07Å; F158-A169 HydrophobicContact CZ-CB 3.99Å; F158-V171 HydrophobicContact CD2-CB 4.24Å; F158-V171 HydrophobicContact CD2-CG2 4.42Å
159G95.9Very high93.9Very high2 Ų255.7 Ų55.72%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-147.6166.7178.700000115.1L52 A169 F170L52-G159 CarbonylContact O-C 3.53Å; L52-G159 WeakPolarHBondContact O-CA 3.34Å; G159-A169 CarbonylContact O-C 3.47Å; G159-A169 VanDerWaalsContact O-CA 3.26Å; G159-A169 WeakPolarHBondContact O-CA 3.33Å; G159-F170 VanDerWaalsContact CA-CE1 3.47Å; G159-F170 PolarHBondContact N-O 2.9Å; G159-F170 PolarHBondContact O-N 3.45Å
160I96.6Very high93.9Very high55 Ų5557.5 Ų57.528%0.28225%0.25SS..EExtended strand (participates in β ladder)trans-120.2140.3172.4-66.2171.9000106.8R51 L52 L134 G168R51-I160 CarbonylContact C-O 3.41Å; R51-I160 WeakPolarHBondContact CA-O 3.48Å; L52-I160 PolarHBondContact N-O 3.47Å; L52-I160 PolarHBondContact O-N 3.43Å; L134-I160 HydrophobicContact CD1-CD1 4.36Å; L134-I160 HydrophobicContact CD1-CG1 4.28Å; L134-I160 HydrophobicContact CD1-CG2 3.76Å; I160-G168 CarbonylContact C-O 3.53Å; I160-G168 WeakPolarHBondContact CA-O 2.94Å; I160-G168 WeakPolarHBondContact CG2-O 3.38Å
161F95.2Very high94Very high41 Ų4154.1 Ų54.118%0.1824%0.24CC..EExtended strand (participates in β ladder)trans-129.7155.5172.468.6-89.3000111A50 R51 F163 Y166 P167 G168 A169 F170A50-F161 CarbonylContact O-C 3.58Å; A50-F161 WeakPolarHBondContact O-CA 3.49Å; A50-F161 WeakPolarHBondContact O-CB 3.46Å; R51-F161 HydrophobicContact CB-CB 4.36Å; R51-F161 HydrophobicContact CG-CB 3.94Å; F161-F163 HydrophobicContact CD2-CB 4.19Å; F161-F163 HydrophobicContact CE2-CB 4.23Å; F161-Y166 HydrophobicContact CE2-CD1 4.05Å; F161-Y166 HydrophobicContact CE2-CE1 4.09Å; F161-Y166 HydrophobicContact CZ-CE1 4.14Å; F161-P167 CarbonylContact O-C 3.59Å; F161-P167 WeakPolarHBondContact O-CA 3.36Å; F161-G168 PolarHBondContact N-O 3.33Å; F161-G168 PolarHBondContact O-N 3.28Å; F161-A169 WeakPolarHBondContact CE1-O 3.39Å; F161-F170 AromaticContact CD1-CD1 3.86Å; F161-F170 HydrophobicContact CD1-CD1 3.86Å
162V93.9Very high94Very high56 Ų5655.9 Ų55.934%0.33925%0.25SS..EExtended strand (participates in β ladder)trans-121.6117.7167.9-179.40000106.7W14 Q49 A50 G164 Y166W14-V162 HydrophobicContact CZ2-CG1 4.26Å; Q49-V162 VanDerWaalsContact CA-O 3.3Å; Q49-V162 WeakPolarHBondContact CA-O 3.33Å; A50-V162 PolarHBondContact N-O 3.24Å; A50-V162 PolarHBondContact O-N 3.01Å; V162-G164 WeakPolarHBondContact CG1-O 3.42Å; V162-Y166 WeakPolarHBondContact CA-O 3.38Å
163F90.5Very high94Very high110 Ų11046.3 Ų46.348%0.48222%0.216SC..EExtended strand (participates in β ladder)trans-106.9103.4173.2-175.9-96.1000108.9L48 Q49 F161 F165 Y166L48-F163 CarbonylContact O-C 3.58Å; L48-F163 WeakPolarHBondContact O-CA 3.3Å; Q49-F163 HydrophobicContact CB-CD2 4.12Å; Q49-F163 HydrophobicContact CG-CD2 4.39Å; F161-F163 HydrophobicContact CD2-CB 4.19Å; F161-F163 HydrophobicContact CE2-CB 4.23Å; F163-F165 PolarHBondContact O-N 2.83Å; F163-Y166 PolarHBondContact N-O 2.66Å; F163-Y166 WeakPolarHBondContact O-CB 3.31Å; F163-Y166 PolarHBondContact O-N 3.36Å
164G87.1Confident94.1Very high10 Ų1047.6 Ų47.610%0.10322%0.223CC..THydrogen-bonded Turntrans61.8-106.2-171.300000112.3F10 W14 L48 V162F10-G164 VanDerWaalsContact CZ-CA 3.47Å; W14-G164 WeakPolarHBondContact CZ2-O 3.26Å; L48-G164 PolarHBondContact O-N 3.49Å; V162-G164 WeakPolarHBondContact CG1-O 3.42Å
165F82.5Confident94Very high119 Ų11941.8 Ų41.852%0.52221%0.213SC..THydrogen-bonded Turntrans-104.9-3.3172.9-64.6-69.4000113.7F6 F10 F163 P167F6-F165 AromaticContact CE1-CE2 3.73Å; F6-F165 HydrophobicContact CE1-CE2 3.73Å; F6-F165 AromaticContact CE1-CZ 3.89Å; F6-F165 HydrophobicContact CE1-CZ 3.89Å; F6-F165 HydrophobicContact CE2-CZ 4.06Å; F6-F165 HydrophobicContact CZ-CE1 4.24Å; F6-F165 AromaticContact CZ-CE2 3.53Å; F6-F165 HydrophobicContact CZ-CE2 3.53Å; F6-F165 AromaticContact CZ-CZ 3.28Å; F6-F165 HydrophobicContact CZ-CZ 3.28Å; F10-F165 HydrophobicContact CB-CE2 4.41Å; F10-F165 HydrophobicContact CB-CZ 4.15Å; F10-F165 HydrophobicContact CD1-CE2 4.24Å; F10-F165 HydrophobicContact CD2-CD1 4.36Å; F10-F165 AromaticContact CD2-CD2 3.96Å; F10-F165 HydrophobicContact CD2-CD2 3.96Å; F10-F165 AromaticContact CD2-CE1 3.63Å; F10-F165 HydrophobicContact CD2-CE1 3.63Å; F10-F165 AromaticContact CD2-CE2 3.15Å; F10-F165 HydrophobicContact CD2-CE2 3.15Å; F10-F165 AromaticContact CD2-CZ 2.96Å; F10-F165 HydrophobicContact CD2-CZ 2.96Å; F10-F165 HydrophobicContact CE1-CE2 4.27Å; F10-F165 AromaticContact CE2-CD1 3.99Å; F10-F165 HydrophobicContact CE2-CD1 3.99Å; F10-F165 AromaticContact CE2-CD2 3.44Å; F10-F165 HydrophobicContact CE2-CD2 3.44Å; F10-F165 VanDerWaalsContact CE2-CD2 3.44Å; F10-F165 AromaticContact CE2-CE1 3.73Å; F10-F165 HydrophobicContact CE2-CE1 3.73Å; F10-F165 AromaticContact CE2-CE2 3.14Å; F10-F165 HydrophobicContact CE2-CE2 3.14Å; F10-F165 AromaticContact CE2-CG 3.87Å; F10-F165 HydrophobicContact CE2-CG 3.87Å; F10-F165 AromaticContact CE2-CZ 3.32Å; F10-F165 HydrophobicContact CE2-CZ 3.32Å; F10-F165 AromaticContact CG-CE2 3.69Å; F10-F165 HydrophobicContact CG-CE2 3.69Å; F10-F165 AromaticContact CG-CZ 3.72Å; F10-F165 HydrophobicContact CG-CZ 3.72Å; F10-F165 AromaticContact CZ-CD2 3.83Å; F10-F165 HydrophobicContact CZ-CD2 3.83Å; F10-F165 AromaticContact CZ-CE2 3.73Å; F10-F165 HydrophobicContact CZ-CE2 3.73Å; F10-F165 HydrophobicContact CZ-CG 4.5Å; F10-F165 HydrophobicContact CZ-CZ 4.33Å; F163-F165 PolarHBondContact O-N 2.83Å; F165-P167 WeakPolarHBondContact O-CD 3.33Å
166Y88Confident94Very high105 Ų10544 Ų4441%0.41223%0.233SC..EExtended strand (participates in β ladder)trans-90.6109.3-174.7177.7-93.4000110.3L133 F161 V162 F163L133-Y166 HydrophobicContact CD2-CD2 3.85Å; L133-Y166 HydrophobicContact CD2-CE2 3.63Å; L133-Y166 HydrophobicContact CG-CE2 4.49Å; F161-Y166 HydrophobicContact CE2-CD1 4.05Å; F161-Y166 HydrophobicContact CE2-CE1 4.09Å; F161-Y166 HydrophobicContact CZ-CE1 4.14Å; V162-Y166 WeakPolarHBondContact CA-O 3.38Å; F163-Y166 PolarHBondContact N-O 2.66Å; F163-Y166 WeakPolarHBondContact O-CB 3.31Å; F163-Y166 PolarHBondContact O-N 3.36Å
167P93.9Very high94.1Very high14 Ų1442 Ų429%0.09123%0.225CC..EExtended strand (participates in β ladder)trans-78.2143.2168.634.1-35000110.4A130 L133 L134 F161 F165A130-P167 HydrophobicContact CB-CG 4.12Å; A130-P167 VanDerWaalsContact O-CG 3.29Å; A130-P167 WeakPolarHBondContact O-CG 3.37Å; L133-P167 HydrophobicContact CD2-CG 4.44Å; L134-P167 HydrophobicContact CB-CB 4.15Å; L134-P167 HydrophobicContact CB-CG 4.29Å; L134-P167 HydrophobicContact CD1-CB 4.31Å; F161-P167 CarbonylContact O-C 3.59Å; F161-P167 WeakPolarHBondContact O-CA 3.36Å; F165-P167 WeakPolarHBondContact O-CD 3.33Å
168G94.5Very high94.1Very high1 Ų142.5 Ų42.51%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-148.8168.1174.600000111.6I160 F161I160-G168 CarbonylContact C-O 3.53Å; I160-G168 WeakPolarHBondContact CA-O 2.94Å; I160-G168 WeakPolarHBondContact CG2-O 3.38Å; F161-G168 PolarHBondContact N-O 3.33Å; F161-G168 PolarHBondContact O-N 3.28Å
169A96.6Very high94Very high6 Ų648.9 Ų48.95%0.0526%0.258CS..EExtended strand (participates in β ladder)trans-119.5163.4171.500000109.3A137 F138 E141 F158 G159 F161A137-A169 HydrophobicContact CB-CB 4.26Å; F138-A169 HydrophobicContact CB-CB 4.43Å; E141-A169 HydrophobicContact CB-CB 4.34Å; E141-A169 HydrophobicContact CG-CB 3.8Å; F158-A169 HydrophobicContact CE1-CB 4.07Å; F158-A169 HydrophobicContact CZ-CB 3.99Å; G159-A169 CarbonylContact O-C 3.47Å; G159-A169 VanDerWaalsContact O-CA 3.26Å; G159-A169 WeakPolarHBondContact O-CA 3.33Å; F161-A169 WeakPolarHBondContact CE1-O 3.39Å
170F95.9Very high94Very high55 Ų5553.4 Ų53.424%0.24129%0.289CS..EExtended strand (participates in β ladder)trans-149.7148.4171.667.3-77.7000110.8F53 E141 G159 F161F53-F170 AromaticContact CD2-CE2 3.82Å; F53-F170 HydrophobicContact CD2-CE2 3.82Å; F53-F170 AromaticContact CD2-CZ 3.88Å; F53-F170 HydrophobicContact CD2-CZ 3.88Å; F53-F170 HydrophobicContact CE2-CE2 4.25Å; E141-F170 WeakPolarHBondContact OE2-CA 3.06Å; G159-F170 VanDerWaalsContact CA-CE1 3.47Å; G159-F170 PolarHBondContact N-O 2.9Å; G159-F170 PolarHBondContact O-N 3.45Å; F161-F170 AromaticContact CD1-CD1 3.86Å; F161-F170 HydrophobicContact CD1-CD1 3.86Å
171V96.8Very high94Very high24 Ų2452.4 Ų52.415%0.14528%0.284CS..EExtended strand (participates in β ladder)trans-108138.716569.10000111.2E141 H144 A145 L155 F158 L173E141-V171 HydrophobicContact CB-CB 4.48Å; E141-V171 WeakPolarHBondContact OE2-CG1 3.46Å; E141-V171 PolarHBondContact OE2-N 3.31Å; H144-V171 HydrophobicContact CB-CG1 3.72Å; A145-V171 HydrophobicContact CB-CG2 3.91Å; L155-V171 HydrophobicContact CD2-CG2 4.25Å; F158-V171 HydrophobicContact CD2-CB 4.24Å; F158-V171 HydrophobicContact CD2-CG2 4.42Å; V171-L173 HydrophobicContact CG1-CD1 4.36Å; V171-L173 HydrophobicContact CG1-CD2 4.19Å; V171-L173 HydrophobicContact CG1-CG 4.08Å; V171-L173 HydrophobicContact CG2-CD2 3.69Å; V171-L173 HydrophobicContact CG2-CG 4.3Å
172D95.7Very high94Very high64 Ų6453.3 Ų53.334%0.34230%0.296SS..EExtended strand (participates in β ladder)trans-103.4114.9173.2-174.7-1.5000109.9F53 H156 G157F53-D172 HydrophobicContact CE2-CB 4Å; H156-D172 HydrophobicContact CB-CB 3.97Å; H156-D172 IonicContact CG-OD1 3.1Å; H156-D172 IonicContact CG-OD2 2.93Å; H156-D172 PolarHBondContact N-O 2.88Å; H156-D172 IonicContact ND1-OD1 3.85Å; H156-D172 PolarHBondContact ND1-OD1 2.89Å; H156-D172 IonicContact ND1-OD2 2.86Å; H156-D172 PolarHBondContact ND1-OD2 3.03Å; G157-D172 PolarHBondContact N-O 3.44Å; G157-D172 PolarHBondContact O-N 3.44Å
173L96.3Very high94.1Very high29 Ų2952.6 Ų52.615%0.15229%0.293CS..EExtended strand (participates in β ladder)trans-112.2145-176.8-55.5-178.7000110.1A148 V153 L155 V171 A175 L178 V189A148-L173 HydrophobicContact CB-CD1 4.1Å; A148-L173 HydrophobicContact CB-CD2 3.67Å; V153-L173 HydrophobicContact CG1-CB 4.4Å; L155-L173 HydrophobicContact CD2-CD2 3.19Å; V171-L173 HydrophobicContact CG1-CD1 4.36Å; V171-L173 HydrophobicContact CG1-CD2 4.19Å; V171-L173 HydrophobicContact CG1-CG 4.08Å; V171-L173 HydrophobicContact CG2-CD2 3.69Å; V171-L173 HydrophobicContact CG2-CG 4.3Å; L173-A175 PolarHBondContact O-N 2.86Å; L173-L178 HydrophobicContact CD1-CD2 4.35Å; L173-V189 HydrophobicContact CD1-CG1 3.9Å
174N96.8Very high94.5Very high32 Ų3250.9 Ų50.917%0.17129%0.285CS..  trans-65.8108.7172.4-176.7-3.2000111R154 A176 D177 L178R154-N174 HydrophobicContact CB-CB 4.12Å; R154-N174 PolarHBondContact O-N 3.35Å; N174-A176 VanDerWaalsContact C-N 3.3Å; N174-A176 PolarHBondContact O-N 2.81Å; N174-A176 PolarHBondContact OD1-N 2.77Å; N174-A176 VanDerWaalsContact OD1-N 3.1Å; N174-D177 HydrophobicContact CB-CB 4.17Å; N174-D177 WeakPolarHBondContact CB-OD2 3.49Å; N174-D177 PolarHBondContact ND2-OD1 2.87Å; N174-D177 PolarHBondContact ND2-OD2 2.97Å; N174-D177 PolarHBondContact O-N 3.3Å; N174-L178 PolarHBondContact O-N 3.39Å; N174-L178 VanDerWaalsContact O-N 3.08Å
175A95.2Very high95Very high55 Ų5551.5 Ų51.546%0.45529%0.287SS..Hα-helixtrans-61-34.5-177.800000113.4L173 L178 Q179L173-A175 PolarHBondContact O-N 2.86Å; A175-L178 PolarHBondContact O-N 2.85Å; A175-Q179 WeakPolarHBondContact O-CB 3.36Å; A175-Q179 VanDerWaalsContact O-CG 3.23Å; A175-Q179 WeakPolarHBondContact O-CG 3.15Å; A175-Q179 PolarHBondContact O-N 3.06Å
176A96.4Very high95.7Very high64 Ų6446.8 Ų46.853%0.52927%0.267SS..Hα-helixtrans-68.1-43.8179.800000111.3N174 L178 Q179 S180N174-A176 VanDerWaalsContact C-N 3.3Å; N174-A176 PolarHBondContact O-N 2.81Å; N174-A176 PolarHBondContact OD1-N 2.77Å; N174-A176 VanDerWaalsContact OD1-N 3.1Å; A176-L178 VanDerWaalsContact C-N 3.34Å; A176-L178 PolarHBondContact O-N 3.01Å; A176-Q179 PolarHBondContact O-N 3.47Å; A176-S180 WeakPolarHBondContact O-CB 3.47Å; A176-S180 PolarHBondContact O-N 2.82Å
177D95.9Very high96.2Very high37 Ų3741.9 Ų41.920%0.19825%0.248CC..Hα-helixtrans-62.1-45.2176.2-65-13.9000109.9V153 R154 N174 S180 L181V153-D177 HydrophobicContact CB-CB 4.43Å; V153-D177 HydrophobicContact CG1-CB 4.05Å; V153-D177 HydrophobicContact CG2-CB 4.35Å; R154-D177 WeakPolarHBondContact CB-OD2 3.34Å; R154-D177 WeakPolarHBondContact CD-OD2 3.38Å; R154-D177 VanDerWaalsContact CG-OD2 3.23Å; R154-D177 WeakPolarHBondContact CG-OD2 3.28Å; R154-D177 PolarHBondContact N-OD2 3.39Å; N174-D177 HydrophobicContact CB-CB 4.17Å; N174-D177 WeakPolarHBondContact CB-OD2 3.49Å; N174-D177 PolarHBondContact ND2-OD1 2.87Å; N174-D177 PolarHBondContact ND2-OD2 2.97Å; N174-D177 PolarHBondContact O-N 3.3Å; D177-S180 PolarHBondContact O-N 2.98Å; D177-S180 PolarHBondContact O-OG 3.48Å; D177-L181 PolarHBondContact O-N 3.03Å
178L95.6Very high96.4Very high11 Ų1142.8 Ų42.86%0.05825%0.25CC..Hα-helixtrans-64-43.4-179.8-171.157.5000112.4V153 L173 N174 A175 A176 S180 L181 Q186 V189 Y190V153-L178 HydrophobicContact CG1-CB 4.43Å; V153-L178 HydrophobicContact CG2-CD1 4.34Å; L173-L178 HydrophobicContact CD1-CD2 4.35Å; N174-L178 PolarHBondContact O-N 3.39Å; N174-L178 VanDerWaalsContact O-N 3.08Å; A175-L178 PolarHBondContact O-N 2.85Å; A176-L178 VanDerWaalsContact C-N 3.34Å; A176-L178 PolarHBondContact O-N 3.01Å; L178-S180 VanDerWaalsContact C-N 3.26Å; L178-S180 PolarHBondContact O-N 3.22Å; L178-L181 HydrophobicContact CD1-CD1 4.05Å; L178-L181 WeakPolarHBondContact O-CB 3.4Å; L178-L181 PolarHBondContact O-N 3.42Å; L178-Q186 WeakPolarHBondContact O-CG 3.16Å; L178-Q186 PolarHBondContact O-NE2 2.84Å; L178-Q186 VanDerWaalsContact O-NE2 3.12Å; L178-V189 HydrophobicContact CD1-CB 4Å; L178-V189 HydrophobicContact CD1-CG1 3.98Å; L178-V189 HydrophobicContact CD1-CG2 4.11Å; L178-Y190 HydrophobicContact CD2-CE1 3.54Å; L178-Y190 VanDerWaalsContact CD2-OH 3.26Å; L178-Y190 WeakPolarHBondContact CD2-OH 3.37Å; L178-Y190 HydrophobicContact CG-CE1 4.34Å
179Q94.6Very high96.6Very high137 Ų13742.8 Ų42.864%0.6425%0.249SC*.Hα-helixtrans-68.4-24.7177-72.417521.300113.2A175 A176 L181 Q186A175-Q179 WeakPolarHBondContact O-CB 3.36Å; A175-Q179 VanDerWaalsContact O-CG 3.23Å; A175-Q179 WeakPolarHBondContact O-CG 3.15Å; A175-Q179 PolarHBondContact O-N 3.06Å; A176-Q179 PolarHBondContact O-N 3.47Å; Q179-L181 VanDerWaalsContact C-N 3.31Å; Q179-Q186 PolarHBondContact O-NE2 2.94Å
180S95.4Very high96.7Very high96 Ų9643.9 Ų43.967%0.67125%0.252SS*.Hα-helixtrans-75.9-17.1176.178.90000113.8A176 D177 L178A176-S180 WeakPolarHBondContact O-CB 3.47Å; A176-S180 PolarHBondContact O-N 2.82Å; D177-S180 PolarHBondContact O-N 2.98Å; D177-S180 PolarHBondContact O-OG 3.48Å; L178-S180 VanDerWaalsContact C-N 3.26Å; L178-S180 PolarHBondContact O-N 3.22Å
181L96.3Very high96.8Very high34 Ų3441.3 Ų41.318%0.17824%0.241CC..SBendtrans-68.4155.5178.2-65.1-173.8000112.3E151 V153 D177 L178 Q179 C185 Q186 V189E151-L181 HydrophobicContact CB-CD1 3.85Å; V153-L181 HydrophobicContact CG2-CD1 3.62Å; V153-L181 HydrophobicContact CG2-CD2 4.42Å; V153-L181 HydrophobicContact CG2-CG 4.12Å; D177-L181 PolarHBondContact O-N 3.03Å; L178-L181 HydrophobicContact CD1-CD1 4.05Å; L178-L181 WeakPolarHBondContact O-CB 3.4Å; L178-L181 PolarHBondContact O-N 3.42Å; Q179-L181 VanDerWaalsContact C-N 3.31Å; L181-C185 HydrophobicContact CB-CB 4.03Å; L181-C185 HydrophobicContact CD1-CB 4.09Å; L181-C185 HydrophobicContact CG-CB 4.5Å; L181-Q186 HydrophobicContact CB-CG 3.81Å; L181-Q186 PolarHBondContact O-NE2 3.15Å; L181-Q186 VanDerWaalsContact O-NE2 3.11Å; L181-V189 HydrophobicContact CD1-CG2 4.43Å
182S96.6Very high96.9Very high61 Ų6140.1 Ų40.143%0.42723%0.234SC..  trans-61.7152168.477.40000111.4F184 C185 Q186S182-F184 PolarHBondContact O-N 2.92Å; S182-F184 VanDerWaalsContact O-N 3.14Å; S182-C185 PolarHBondContact O-N 2.72Å; S182-C185 PolarHBondContact OG-N 3.49Å; S182-C185 PolarHBondContact OG-SG 2.88Å; S182-Q186 PolarHBondContact O-N 2.84Å
183P96.3Very high97Very high41 Ų4137.1 Ų37.127%0.26622%0.218SC..Hα-helixtrans-55.1-36-178.2-28.435.5000114Q186 L187 D495 L496P183-Q186 WeakPolarHBondContact O-CB 3.49Å; P183-Q186 PolarHBondContact O-N 3.38Å; P183-L187 WeakPolarHBondContact O-CG 3.28Å; P183-L187 PolarHBondContact O-N 3.5Å; P183-D495 HydrophobicContact CB-CB 4.28Å; P183-D495 HydrophobicContact CG-CB 4.18Å; P183-L496 HydrophobicContact CB-CB 3.92Å; P183-L496 HydrophobicContact CB-CD1 4.32Å
184F97.6Very high97.1Very high73 Ų7335.7 Ų35.732%0.3221%0.211SC..Hα-helixtrans-71.2-38.1177.6-172.3-111.3000112.9V80 S182 L187 R188 L496V80-F184 HydrophobicContact CG1-CE2 4.18Å; S182-F184 PolarHBondContact O-N 2.92Å; S182-F184 VanDerWaalsContact O-N 3.14Å; F184-L187 WeakPolarHBondContact O-CB 3.39Å; F184-L187 PolarHBondContact O-N 3.38Å; F184-R188 PolarHBondContact O-N 3.32Å; F184-L496 HydrophobicContact CB-CD1 4.31Å; F184-L496 HydrophobicContact CB-CD2 4.44Å; F184-L496 HydrophobicContact CD2-CD2 4.05Å
185C97.6Very high97.1Very high23 Ų2336.3 Ų36.316%0.15521%0.21CC..Hα-helixtrans-66.7-38.2173-68.20000111.4E151 L181 S182 R188 V189E151-C185 HydrophobicContact CG-CB 4.35Å; E151-C185 WeakPolarHBondContact OE2-CB 3.47Å; E151-C185 PolarHBondContact OE2-SG 2.94Å; L181-C185 HydrophobicContact CB-CB 4.03Å; L181-C185 HydrophobicContact CD1-CB 4.09Å; L181-C185 HydrophobicContact CG-CB 4.5Å; S182-C185 PolarHBondContact O-N 2.72Å; S182-C185 PolarHBondContact OG-N 3.49Å; S182-C185 PolarHBondContact OG-SG 2.88Å; C185-R188 WeakPolarHBondContact O-CB 3.38Å; C185-R188 PolarHBondContact O-N 2.94Å; C185-V189 PolarHBondContact O-N 2.97Å
186Q98.1Very high97.3Very high21 Ų2134.7 Ų34.710%0.09819%0.193CC..Hα-helixtrans-59.9-46.7171.8-69.8-179.12.800111.4L178 Q179 L181 S182 P183 R188 V189 Y190 A492L178-Q186 WeakPolarHBondContact O-CG 3.16Å; L178-Q186 PolarHBondContact O-NE2 2.84Å; L178-Q186 VanDerWaalsContact O-NE2 3.12Å; Q179-Q186 PolarHBondContact O-NE2 2.94Å; L181-Q186 HydrophobicContact CB-CG 3.81Å; L181-Q186 PolarHBondContact O-NE2 3.15Å; L181-Q186 VanDerWaalsContact O-NE2 3.11Å; S182-Q186 PolarHBondContact O-N 2.84Å; P183-Q186 WeakPolarHBondContact O-CB 3.49Å; P183-Q186 PolarHBondContact O-N 3.38Å; Q186-R188 VanDerWaalsContact C-N 3.29Å; Q186-R188 PolarHBondContact O-N 3.26Å; Q186-V189 PolarHBondContact O-N 3.29Å; Q186-Y190 HydrophobicContact CB-CD2 4.11Å; Q186-Y190 HydrophobicContact CB-CE2 3.86Å; Q186-Y190 HydrophobicContact CG-CE2 4.49Å; Q186-Y190 WeakPolarHBondContact O-CD2 3.37Å; Q186-Y190 PolarHBondContact O-N 3.08Å; Q186-A492 HydrophobicContact CB-CB 4.02Å
187L98.3Very high97.4Very high1 Ų131.6 Ų31.61%0.00517%0.168CC..Hα-helixtrans-57.2-41.1176.1-78168.2000112.2V80 P183 F184 V189 Y190 C191 I489 A492 F493 L496V80-L187 HydrophobicContact CG1-CB 4.01Å; V80-L187 HydrophobicContact CG1-CD1 4.1Å; V80-L187 HydrophobicContact CG2-CB 3.85Å; P183-L187 WeakPolarHBondContact O-CG 3.28Å; P183-L187 PolarHBondContact O-N 3.5Å; F184-L187 WeakPolarHBondContact O-CB 3.39Å; F184-L187 PolarHBondContact O-N 3.38Å; L187-V189 VanDerWaalsContact C-N 3.26Å; L187-V189 PolarHBondContact O-N 2.87Å; L187-Y190 PolarHBondContact O-N 3.29Å; L187-C191 WeakPolarHBondContact O-CB 3.27Å; L187-C191 PolarHBondContact O-N 3.43Å; L187-C191 PolarHBondContact O-SG 2.92Å; L187-I489 HydrophobicContact CD2-CG2 4.09Å; L187-I489 WeakPolarHBondContact CD2-O 3.14Å; L187-A492 HydrophobicContact CD2-CB 3.84Å; L187-A492 HydrophobicContact CG-CB 3.76Å; L187-F493 HydrophobicContact CD2-CB 4.2Å; L187-L496 HydrophobicContact CD1-CB 4.45Å; L187-L496 HydrophobicContact CD1-CD2 3.67Å
188R98.3Very high97.5Very high34 Ų3430.3 Ų30.313%0.12816%0.162CC..Hα-helixtrans-58.5-38.9175.6-76.1177174.7166.51.8112.5F76 S77 V80 E151 F184 C185 Q186 A192F76-R188 HydrophobicContact CB-CB 3.98Å; F76-R188 HydrophobicContact CB-CG 4Å; S77-R188 PolarHBondContact OG-NE 3.46Å; S77-R188 PolarHBondContact OG-NH2 2.83Å; V80-R188 HydrophobicContact CG2-CG 3.98Å; E151-R188 WeakPolarHBondContact OE1-CD 3.47Å; E151-R188 IonicContact OE1-CZ 3.79Å; E151-R188 IonicContact OE1-NE 3.88Å; E151-R188 IonicContact OE1-NH1 2.87Å; E151-R188 PolarHBondContact OE1-NH1 3.11Å; F184-R188 PolarHBondContact O-N 3.32Å; C185-R188 WeakPolarHBondContact O-CB 3.38Å; C185-R188 PolarHBondContact O-N 2.94Å; Q186-R188 VanDerWaalsContact C-N 3.29Å; Q186-R188 PolarHBondContact O-N 3.26Å; R188-A192 WeakPolarHBondContact O-CB 3.42Å; R188-A192 PolarHBondContact O-N 3.43Å
189V98.1Very high97.6Very high1 Ų131 Ų311%0.00617%0.167CC..Hα-helixtrans-71.6-51.4176.7-178.20000110.8H144 A147 A148 E151 L173 L178 L181 C185 Q186 L187 C191 A192H144-V189 PolarHBondContact ND1-O 3.38Å; A147-V189 HydrophobicContact CB-CB 4.4Å; A147-V189 HydrophobicContact CB-CG2 4.22Å; A148-V189 HydrophobicContact CB-CG1 4.18Å; E151-V189 HydrophobicContact CB-CG2 4.26Å; E151-V189 HydrophobicContact CG-CG2 4.12Å; L173-V189 HydrophobicContact CD1-CG1 3.9Å; L178-V189 HydrophobicContact CD1-CB 4Å; L178-V189 HydrophobicContact CD1-CG1 3.98Å; L178-V189 HydrophobicContact CD1-CG2 4.11Å; L181-V189 HydrophobicContact CD1-CG2 4.43Å; C185-V189 PolarHBondContact O-N 2.97Å; Q186-V189 PolarHBondContact O-N 3.29Å; L187-V189 VanDerWaalsContact C-N 3.26Å; L187-V189 PolarHBondContact O-N 2.87Å; V189-C191 PolarHBondContact O-N 2.92Å; V189-A192 WeakPolarHBondContact O-CB 3.44Å; V189-A192 PolarHBondContact O-N 3.49Å
190Y98Very high97.8Very high28 Ų2825.4 Ų25.411%0.1114%0.141CC..Hα-helixtrans-69-27.8-176.9-62.2-50.7000114.1H144 L178 Q186 L187 W488 A492H144-Y190 PolarHBondContact CE1-O 2.92Å; H144-Y190 VanDerWaalsContact CE1-O 3.23Å; L178-Y190 HydrophobicContact CD2-CE1 3.54Å; L178-Y190 VanDerWaalsContact CD2-OH 3.26Å; L178-Y190 WeakPolarHBondContact CD2-OH 3.37Å; L178-Y190 HydrophobicContact CG-CE1 4.34Å; Q186-Y190 HydrophobicContact CB-CD2 4.11Å; Q186-Y190 HydrophobicContact CB-CE2 3.86Å; Q186-Y190 HydrophobicContact CG-CE2 4.49Å; Q186-Y190 WeakPolarHBondContact O-CD2 3.37Å; Q186-Y190 PolarHBondContact O-N 3.08Å; L187-Y190 PolarHBondContact O-N 3.29Å; Y190-W488 HydrophobicContact CD1-CB 3.63Å; Y190-W488 HydrophobicContact CD1-CG 4.29Å; Y190-W488 HydrophobicContact CD2-CB 3.83Å; Y190-W488 HydrophobicContact CE1-CB 3.62Å; Y190-W488 AromaticContact CE1-CG 3.95Å; Y190-W488 HydrophobicContact CE1-CG 3.95Å; Y190-W488 HydrophobicContact CE2-CB 3.82Å; Y190-W488 HydrophobicContact CG-CB 3.75Å; Y190-A492 HydrophobicContact CD2-CB 4.22Å; Y190-A492 HydrophobicContact CE2-CB 4.44Å
191C98.4Very high97.9Very high1 Ų121.3 Ų21.31%0.00711%0.113CC..THydrogen-bonded Turntrans-87.1-11178-590000112.8V80 A83 L187 V189 G193 V194 W195V80-C191 HydrophobicContact CG2-CB 4.33Å; A83-C191 HydrophobicContact CB-CB 3.74Å; L187-C191 WeakPolarHBondContact O-CB 3.27Å; L187-C191 PolarHBondContact O-N 3.43Å; L187-C191 PolarHBondContact O-SG 2.92Å; V189-C191 PolarHBondContact O-N 2.92Å; C191-G193 PolarHBondContact O-N 2.83Å; C191-V194 PolarHBondContact O-N 2.97Å; C191-W195 WeakPolarHBondContact O-CB 3.46Å; C191-W195 PolarHBondContact O-N 3.4Å
192A98.4Very high98Very high0 Ų023.7 Ų23.70%013%0.129CC..Hα-helixtrans-65.1-40.1-171.700000113.4F76 G143 A147 R188 V189 W195 H196F76-A192 HydrophobicContact CD1-CB 3.75Å; F76-A192 HydrophobicContact CE1-CB 3.77Å; G143-A192 VanDerWaalsContact C-CB 3.47Å; G143-A192 WeakPolarHBondContact O-CB 3.48Å; A147-A192 HydrophobicContact CB-CB 3.55Å; R188-A192 WeakPolarHBondContact O-CB 3.42Å; R188-A192 PolarHBondContact O-N 3.43Å; V189-A192 WeakPolarHBondContact O-CB 3.44Å; V189-A192 PolarHBondContact O-N 3.49Å; A192-W195 PolarHBondContact O-N 2.9Å; A192-H196 PolarHBondContact O-N 2.94Å; A192-H196 PolarHBondContact O-ND1 3.48Å
193G98Very high98.1Very high0 Ų024.8 Ų24.80%013%0.129CC..Hα-helixtrans-64.4-46.8177.500000112.2H140 H144 C191 W195 H196 N197H140-G193 WeakPolarHBondContact ND1-CA 3.19Å; H140-G193 PolarHBondContact ND1-O 3.37Å; H140-G193 WeakPolarHBondContact O-CA 3.46Å; H144-G193 PolarHBondContact CE1-N 3.05Å; C191-G193 PolarHBondContact O-N 2.83Å; G193-W195 VanDerWaalsContact C-N 3.28Å; G193-W195 PolarHBondContact O-N 3.32Å; G193-H196 PolarHBondContact O-N 2.92Å; G193-N197 PolarHBondContact O-N 3.19Å; G193-N197 VanDerWaalsContact O-N 3.07Å
194V98.1Very high98.2Very high0 Ų023 Ų230%012%0.118CC..Hα-helixtrans-56.8-44.5174.4179.70000110.7F82 A83 H140 C191 N197 A198 V474 N477 V478 I489F82-V194 HydrophobicContact CD1-CG1 4.43Å; F82-V194 HydrophobicContact CE1-CG1 4.15Å; A83-V194 HydrophobicContact CB-CG1 4.47Å; H140-V194 PolarHBondContact CE1-N 3.14Å; C191-V194 PolarHBondContact O-N 2.97Å; V194-N197 PolarHBondContact O-N 3.47Å; V194-A198 PolarHBondContact O-N 3Å; V194-V474 HydrophobicContact CG1-CB 4.38Å; V194-V474 HydrophobicContact CG1-CG1 3.9Å; V194-V474 HydrophobicContact CG1-CG2 4.36Å; V194-N477 HydrophobicContact CG2-CB 4.2Å; V194-V478 HydrophobicContact CG1-CB 4.33Å; V194-V478 HydrophobicContact CG1-CG2 4.5Å; V194-V478 HydrophobicContact CG2-CB 4.4Å; V194-I489 HydrophobicContact CG2-CD1 4.33Å
195W98.5Very high98.2Very high44 Ų4422.7 Ų22.717%0.16712%0.119CC..Hα-helixtrans-61.8-44.5177.9176.9-117.6000113.2W75 C78 F82 C191 A192 G193 N197 A198 V199W75-W195 AromaticContact CD1-CD1 3.97Å; W75-W195 AromaticContact CD1-NE1 3.8Å; W75-W195 AromaticContact CD2-NE1 3.32Å; W75-W195 VanDerWaalsContact CD2-NE1 3.32Å; W75-W195 AromaticContact CE2-CD1 3.66Å; W75-W195 AromaticContact CE2-NE1 3.05Å; W75-W195 HydrophobicContact CE3-CZ2 4.28Å; W75-W195 AromaticContact CE3-NE1 3.81Å; W75-W195 AromaticContact CG-NE1 3.82Å; W75-W195 HydrophobicContact CH2-CZ2 4.3Å; W75-W195 AromaticContact CH2-NE1 3.84Å; W75-W195 AromaticContact CZ2-NE1 3.35Å; W75-W195 VanDerWaalsContact CZ2-NE1 3.35Å; W75-W195 HydrophobicContact CZ3-CZ2 4.11Å; W75-W195 AromaticContact NE1-CD1 3.5Å; W75-W195 AromaticContact NE1-NE1 3.37Å; W75-W195 PolarHBondContact O-NE1 3.27Å; C78-W195 HydrophobicContact CB-CH2 4.32Å; C78-W195 HydrophobicContact CB-CZ2 4.2Å; F82-W195 HydrophobicContact CB-CE3 3.83Å; F82-W195 HydrophobicContact CB-CZ3 3.92Å; F82-W195 HydrophobicContact CD1-CE3 4.06Å; F82-W195 HydrophobicContact CD2-CZ3 4.32Å; F82-W195 AromaticContact CG-CE3 3.91Å; F82-W195 HydrophobicContact CG-CE3 3.91Å; F82-W195 HydrophobicContact CG-CZ3 4.01Å; C191-W195 WeakPolarHBondContact O-CB 3.46Å; C191-W195 PolarHBondContact O-N 3.4Å; A192-W195 PolarHBondContact O-N 2.9Å; G193-W195 VanDerWaalsContact C-N 3.28Å; G193-W195 PolarHBondContact O-N 3.32Å; W195-N197 VanDerWaalsContact C-N 3.31Å; W195-N197 PolarHBondContact O-N 3.29Å; W195-A198 WeakPolarHBondContact O-CB 3.49Å; W195-A198 PolarHBondContact O-N 3.32Å; W195-V199 HydrophobicContact CD2-CG2 4.14Å; W195-V199 HydrophobicContact CH2-CG2 4.32Å; W195-V199 HydrophobicContact CZ2-CG2 3.85Å; W195-V199 VanDerWaalsContact O-CG2 3.3Å; W195-V199 WeakPolarHBondContact O-CG2 3.27Å; W195-V199 PolarHBondContact O-N 3.2Å
196H98.5Very high98.2Very high21 Ų2126 Ų2610%0.09713%0.134CC..Hα-helixtrans-66.3-34.9178.7-75.876.4000112.2W75 F76 I139 G143 A192 G193 V199 I200W75-H196 AromaticContact NE1-CE1 3.32Å; W75-H196 PolarHBondContact NE1-CE1 2.97Å; W75-H196 VanDerWaalsContact NE1-CE1 3.32Å; W75-H196 AromaticContact NE1-NE2 3.35Å; W75-H196 PolarHBondContact NE1-NE2 3.33Å; F76-H196 AromaticContact CE1-CE1 3.72Å; I139-H196 HydrophobicContact CG2-CB 4.07Å; G143-H196 WeakPolarHBondContact CA-ND1 3.49Å; A192-H196 PolarHBondContact O-N 2.94Å; A192-H196 PolarHBondContact O-ND1 3.48Å; G193-H196 PolarHBondContact O-N 2.92Å; H196-V199 PolarHBondContact O-N 3.45Å; H196-I200 VanDerWaalsContact O-CG1 3.3Å; H196-I200 WeakPolarHBondContact O-CG1 3.43Å; H196-I200 PolarHBondContact O-N 2.89Å
197N98.5Very high98.2Very high0 Ų028.1 Ų28.10%015%0.145CC..Hα-helixtrans-64.9-42.4172.6-77.7-11.9000112.4C136 H140 G193 V194 W195 V199 I200 A201 S470 L473 V474C136-N197 PolarHBondContact O-OD1 3.38Å; H140-N197 PolarHBondContact ND1-ND2 3.49Å; G193-N197 PolarHBondContact O-N 3.19Å; G193-N197 VanDerWaalsContact O-N 3.07Å; V194-N197 PolarHBondContact O-N 3.47Å; W195-N197 VanDerWaalsContact C-N 3.31Å; W195-N197 PolarHBondContact O-N 3.29Å; N197-V199 VanDerWaalsContact C-N 3.29Å; N197-V199 PolarHBondContact O-N 2.99Å; N197-I200 PolarHBondContact O-N 3.41Å; N197-A201 PolarHBondContact O-N 2.82Å; N197-S470 VanDerWaalsContact C-OG 3.3Å; N197-S470 WeakPolarHBondContact CA-OG 3.43Å; N197-S470 WeakPolarHBondContact CB-OG 2.98Å; N197-S470 PolarHBondContact O-OG 2.82Å; N197-S470 PolarHBondContact OD1-OG 2.8Å; N197-L473 VanDerWaalsContact ND2-CB 3.29Å; N197-L473 WeakPolarHBondContact ND2-CB 3.04Å; N197-V474 HydrophobicContact CB-CG2 3.61Å
198A98.4Very high98.2Very high9 Ų932.2 Ų32.27%0.07416%0.163CC..Hα-helixtrans-60-41.9174.600000112F82 V194 W195 A201 V202 V474F82-A198 HydrophobicContact CD1-CB 4.07Å; F82-A198 HydrophobicContact CE1-CB 3.33Å; F82-A198 HydrophobicContact CE2-CB 4.08Å; F82-A198 HydrophobicContact CZ-CB 3.33Å; V194-A198 PolarHBondContact O-N 3Å; W195-A198 WeakPolarHBondContact O-CB 3.49Å; W195-A198 PolarHBondContact O-N 3.32Å; A198-A201 PolarHBondContact O-N 3.26Å; A198-V202 WeakPolarHBondContact O-CG2 2.91Å; A198-V202 PolarHBondContact O-N 2.99Å; A198-V474 HydrophobicContact CB-CG2 4.07Å
199V98.3Very high98.1Very high27 Ų2739 Ų3916%0.16419%0.19CC..Hα-helixtrans-62.6-44.2175.71700000111.3W75 W195 H196 N197 A201 V202 I203W75-V199 HydrophobicContact CH2-CB 4.35Å; W75-V199 HydrophobicContact CH2-CG1 3.92Å; W75-V199 HydrophobicContact CH2-CG2 3.54Å; W75-V199 HydrophobicContact CZ2-CB 4.45Å; W75-V199 HydrophobicContact CZ2-CG1 4.24Å; W75-V199 HydrophobicContact CZ2-CG2 3.74Å; W195-V199 HydrophobicContact CD2-CG2 4.14Å; W195-V199 HydrophobicContact CH2-CG2 4.32Å; W195-V199 HydrophobicContact CZ2-CG2 3.85Å; W195-V199 VanDerWaalsContact O-CG2 3.3Å; W195-V199 WeakPolarHBondContact O-CG2 3.27Å; W195-V199 PolarHBondContact O-N 3.2Å; H196-V199 PolarHBondContact O-N 3.45Å; N197-V199 VanDerWaalsContact C-N 3.29Å; N197-V199 PolarHBondContact O-N 2.99Å; V199-A201 VanDerWaalsContact C-N 3.33Å; V199-A201 PolarHBondContact O-N 3.01Å; V199-V202 PolarHBondContact O-N 2.82Å; V199-I203 HydrophobicContact CG1-CD1 3.57Å; V199-I203 HydrophobicContact CG1-CG1 4.26Å; V199-I203 WeakPolarHBondContact O-CB 3.48Å; V199-I203 VanDerWaalsContact O-CG1 3.25Å; V199-I203 WeakPolarHBondContact O-CG1 3.4Å; V199-I203 PolarHBondContact O-N 3.26Å
200I98.2Very high98Very high19 Ų1942.8 Ų42.810%0.09721%0.21CC..Hα-helixtrans-57.7-46.7173.8-70.2159.3000110.7I139 H196 N197 V202 I203 S204 L466I139-I200 HydrophobicContact CB-CD1 3.66Å; I139-I200 HydrophobicContact CD1-CD1 3.85Å; I139-I200 HydrophobicContact CD1-CG1 4.37Å; I139-I200 HydrophobicContact CG1-CD1 4.35Å; I139-I200 HydrophobicContact CG2-CD1 3.4Å; I139-I200 HydrophobicContact CG2-CG1 4.15Å; H196-I200 VanDerWaalsContact O-CG1 3.3Å; H196-I200 WeakPolarHBondContact O-CG1 3.43Å; H196-I200 PolarHBondContact O-N 2.89Å; N197-I200 PolarHBondContact O-N 3.41Å; I200-V202 PolarHBondContact O-N 2.84Å; I200-I203 PolarHBondContact O-N 3.18Å; I200-S204 VanDerWaalsContact O-CB 3.3Å; I200-S204 WeakPolarHBondContact O-CB 3.33Å; I200-S204 PolarHBondContact O-N 2.86Å; I200-S204 PolarHBondContact O-OG 3.49Å; I200-L466 HydrophobicContact CG2-CB 4.14Å; I200-L466 HydrophobicContact CG2-CD2 4.12Å
201A97.9Very high98Very high9 Ų941.8 Ų41.87%0.07421%0.206CC..Hα-helixtrans-60.7-45-178.900000111.8N197 A198 V199 S204 I205 F467N197-A201 PolarHBondContact O-N 2.82Å; A198-A201 PolarHBondContact O-N 3.26Å; V199-A201 VanDerWaalsContact C-N 3.33Å; V199-A201 PolarHBondContact O-N 3.01Å; A201-S204 PolarHBondContact O-N 2.87Å; A201-I205 PolarHBondContact O-N 3.33Å; A201-I205 VanDerWaalsContact O-N 3.17Å; A201-F467 HydrophobicContact CB-CD2 4.06Å
202V98.1Very high97.8Very high85 Ų8544.6 Ų44.652%0.51523%0.225SC..Hα-helixtrans-65.4-46.9176.8173.20000111.5A198 V199 I200 S204 I205 I206A198-V202 WeakPolarHBondContact O-CG2 2.91Å; A198-V202 PolarHBondContact O-N 2.99Å; V199-V202 PolarHBondContact O-N 2.82Å; I200-V202 PolarHBondContact O-N 2.84Å; V202-S204 PolarHBondContact O-N 2.78Å; V202-I205 PolarHBondContact O-N 2.84Å; V202-I206 HydrophobicContact CG1-CD1 3.85Å; V202-I206 WeakPolarHBondContact O-CG1 3.26Å; V202-I206 PolarHBondContact O-N 2.72Å
203I98.2Very high97.6Very high83 Ų8351.8 Ų51.843%0.42626%0.256SS..Hα-helixtrans-59.5-39.3177-72.1173.2000110.5V199 I200 I205 I206 I207V199-I203 HydrophobicContact CG1-CD1 3.57Å; V199-I203 HydrophobicContact CG1-CG1 4.26Å; V199-I203 WeakPolarHBondContact O-CB 3.48Å; V199-I203 VanDerWaalsContact O-CG1 3.25Å; V199-I203 WeakPolarHBondContact O-CG1 3.4Å; V199-I203 PolarHBondContact O-N 3.26Å; I200-I203 PolarHBondContact O-N 3.18Å; I203-I205 PolarHBondContact O-N 3.35Å; I203-I206 PolarHBondContact O-N 3.1Å; I203-I207 HydrophobicContact CG2-CD1 3.54Å; I203-I207 HydrophobicContact CG2-CG1 4.1Å; I203-I207 WeakPolarHBondContact O-CB 3.41Å; I203-I207 VanDerWaalsContact O-CG1 3.3Å; I203-I207 WeakPolarHBondContact O-CG1 3.26Å; I203-I207 PolarHBondContact O-N 3.41Å
204S98.1Very high97.6Very high4 Ų456.2 Ų56.23%0.02828%0.279CS..Hα-helixtrans-64.5-41.1180-580000112I200 A201 V202 F208 C463 L466I200-S204 VanDerWaalsContact O-CB 3.3Å; I200-S204 WeakPolarHBondContact O-CB 3.33Å; I200-S204 PolarHBondContact O-N 2.86Å; I200-S204 PolarHBondContact O-OG 3.49Å; A201-S204 PolarHBondContact O-N 2.87Å; V202-S204 PolarHBondContact O-N 2.78Å; S204-F208 VanDerWaalsContact O-CB 3.28Å; S204-F208 WeakPolarHBondContact O-CB 3.47Å; S204-F208 PolarHBondContact O-N 2.92Å; S204-C463 WeakPolarHBondContact CB-O 3.24Å; S204-L466 WeakPolarHBondContact OG-CB 3.36Å
205I98Very high97.4Very high67 Ų6757.3 Ų57.334%0.34429%0.285SS..Hα-helixtrans-61.9-47.3172.9-68.4165.7000110.6A201 V202 I203 I207 F208 Y209 F467A201-I205 PolarHBondContact O-N 3.33Å; A201-I205 VanDerWaalsContact O-N 3.17Å; V202-I205 PolarHBondContact O-N 2.84Å; I203-I205 PolarHBondContact O-N 3.35Å; I205-I207 PolarHBondContact O-N 3.38Å; I205-F208 WeakPolarHBondContact O-CB 3.36Å; I205-F208 PolarHBondContact O-N 2.84Å; I205-Y209 HydrophobicContact CG2-CD2 3.78Å; I205-Y209 HydrophobicContact CG2-CE2 3.72Å; I205-Y209 VanDerWaalsContact O-CD2 3.28Å; I205-Y209 WeakPolarHBondContact O-CD2 3.1Å; I205-Y209 PolarHBondContact O-N 3.29Å; I205-Y209 VanDerWaalsContact O-N 3.14Å; I205-F467 HydrophobicContact CD1-CD2 3.57Å; I205-F467 HydrophobicContact CD1-CE2 3.5Å; I205-F467 VanDerWaalsContact CD1-CE2 3.5Å; I205-F467 HydrophobicContact CD1-CG 4.48Å; I205-F467 HydrophobicContact CD1-CZ 4.34Å; I205-F467 HydrophobicContact CG1-CD2 3.69Å; I205-F467 HydrophobicContact CG1-CE2 4.1Å; I205-F467 HydrophobicContact CG1-CG 4.19Å
206I98.3Very high97.3Very high91 Ų9157.5 Ų57.547%0.46729%0.293SS..Hα-helixtrans-61-48.1-179.3-67.3167.7000110.3V202 I203 F208 Y209 L210V202-I206 HydrophobicContact CG1-CD1 3.85Å; V202-I206 WeakPolarHBondContact O-CG1 3.26Å; V202-I206 PolarHBondContact O-N 2.72Å; I203-I206 PolarHBondContact O-N 3.1Å; I206-F208 VanDerWaalsContact C-N 3.34Å; I206-F208 PolarHBondContact O-N 2.86Å; I206-Y209 PolarHBondContact O-N 2.93Å; I206-L210 HydrophobicContact CG2-CD1 3.68Å; I206-L210 HydrophobicContact CG2-CG 4.37Å; I206-L210 WeakPolarHBondContact O-CB 3.45Å; I206-L210 VanDerWaalsContact O-CG 3.26Å; I206-L210 WeakPolarHBondContact O-CG 3.45Å; I206-L210 PolarHBondContact O-N 2.88Å
207I98.1Very high97.1Very high66 Ų6660.8 Ų60.834%0.33832%0.316SS..Hα-helixtrans-60.9-45.1177.8-68.8173.2000110.2I203 I205 Y209 L210 L211 L214I203-I207 HydrophobicContact CG2-CD1 3.54Å; I203-I207 HydrophobicContact CG2-CG1 4.1Å; I203-I207 WeakPolarHBondContact O-CB 3.41Å; I203-I207 VanDerWaalsContact O-CG1 3.3Å; I203-I207 WeakPolarHBondContact O-CG1 3.26Å; I203-I207 PolarHBondContact O-N 3.41Å; I205-I207 PolarHBondContact O-N 3.38Å; I207-Y209 PolarHBondContact O-N 3.32Å; I207-L210 CarbonylContact O-C 3.44Å; I207-L210 PolarHBondContact O-N 3.48Å; I207-L211 HydrophobicContact CG2-CD2 4.25Å; I207-L211 WeakPolarHBondContact O-CG 3.33Å; I207-L211 PolarHBondContact O-N 2.72Å; I207-L214 HydrophobicContact CG2-CD1 4.43Å
208F97.4Very high96.9Very high88 Ų8861.3 Ų61.339%0.38632%0.322SS..Hα-helixtrans-54.2-49.4179.8-177.6-92.6000112.2S204 I205 I206 L210 L211 C463S204-F208 VanDerWaalsContact O-CB 3.28Å; S204-F208 WeakPolarHBondContact O-CB 3.47Å; S204-F208 PolarHBondContact O-N 2.92Å; I205-F208 WeakPolarHBondContact O-CB 3.36Å; I205-F208 PolarHBondContact O-N 2.84Å; I206-F208 VanDerWaalsContact C-N 3.34Å; I206-F208 PolarHBondContact O-N 2.86Å; F208-L210 VanDerWaalsContact C-N 3.33Å; F208-L210 PolarHBondContact O-N 3.45Å; F208-L211 HydrophobicContact CD2-CD1 4.4Å; F208-L211 WeakPolarHBondContact O-CB 3.26Å; F208-L211 PolarHBondContact O-N 3.33Å; F208-C463 HydrophobicContact CB-CB 4Å; F208-C463 HydrophobicContact CD2-CB 4.13Å
209Y96.5Very high96.8Very high175 Ų17561.2 Ų61.269%0.68632%0.32SS*.Hα-helixtrans-72-25.7177.7-73.9-66.9000113.6I205 I206 I207 P212I205-Y209 HydrophobicContact CG2-CD2 3.78Å; I205-Y209 HydrophobicContact CG2-CE2 3.72Å; I205-Y209 VanDerWaalsContact O-CD2 3.28Å; I205-Y209 WeakPolarHBondContact O-CD2 3.1Å; I205-Y209 PolarHBondContact O-N 3.29Å; I205-Y209 VanDerWaalsContact O-N 3.14Å; I206-Y209 PolarHBondContact O-N 2.93Å; I207-Y209 PolarHBondContact O-N 3.32Å; Y209-P212 WeakPolarHBondContact O-CD 3.28Å
210L96.9Very high96.6Very high81 Ų8163.2 Ų63.242%0.42433%0.327SS..Hα-helixtrans-83.3-8.4174.7-69.3177.7000113.6I206 I207 F208 P212 F213 L214I206-L210 HydrophobicContact CG2-CD1 3.68Å; I206-L210 HydrophobicContact CG2-CG 4.37Å; I206-L210 WeakPolarHBondContact O-CB 3.45Å; I206-L210 VanDerWaalsContact O-CG 3.26Å; I206-L210 WeakPolarHBondContact O-CG 3.45Å; I206-L210 PolarHBondContact O-N 2.88Å; I207-L210 CarbonylContact O-C 3.44Å; I207-L210 PolarHBondContact O-N 3.48Å; F208-L210 VanDerWaalsContact C-N 3.33Å; F208-L210 PolarHBondContact O-N 3.45Å; L210-P212 VanDerWaalsContact C-CD 3.5Å; L210-F213 WeakPolarHBondContact O-CB 3.34Å; L210-F213 PolarHBondContact O-N 3.31Å; L210-L214 HydrophobicContact CB-CD1 3.97Å; L210-L214 HydrophobicContact CB-CG 4.15Å; L210-L214 WeakPolarHBondContact O-CG 3.31Å; L210-L214 PolarHBondContact O-N 3.43Å
211L96.5Very high96.4Very high8 Ų865.6 Ų65.64%0.04234%0.342CS..Hα-helixtrans-52.6-45.1-178.4-77.8176.4000113.8I207 F208 F213 L214 L215 Y443 L459I207-L211 HydrophobicContact CG2-CD2 4.25Å; I207-L211 WeakPolarHBondContact O-CG 3.33Å; I207-L211 PolarHBondContact O-N 2.72Å; F208-L211 HydrophobicContact CD2-CD1 4.4Å; F208-L211 WeakPolarHBondContact O-CB 3.26Å; F208-L211 PolarHBondContact O-N 3.33Å; L211-F213 PolarHBondContact O-N 2.97Å; L211-L214 PolarHBondContact O-N 2.94Å; L211-L215 HydrophobicContact CB-CD1 4.47Å; L211-L215 HydrophobicContact CD2-CD1 4.24Å; L211-L215 VanDerWaalsContact O-CB 3.24Å; L211-L215 WeakPolarHBondContact O-CB 3.25Å; L211-L215 WeakPolarHBondContact O-CG 3.35Å; L211-L215 PolarHBondContact O-N 2.87Å; L211-Y443 WeakPolarHBondContact CB-OH 3.34Å; L211-L459 HydrophobicContact CD1-CB 4.46Å; L211-L459 HydrophobicContact CD2-CB 4.03Å; L211-L459 HydrophobicContact CD2-CD1 4.34Å
212P94.4Very high96.2Very high60 Ų6066.7 Ų66.739%0.3936%0.355SS..Hα-helixtrans-57.2-37.9176.8-24.434000113Y209 L210 S216 Y443Y209-P212 WeakPolarHBondContact O-CD 3.28Å; L210-P212 VanDerWaalsContact C-CD 3.5Å; P212-S216 WeakPolarHBondContact O-CB 3.26Å; P212-S216 PolarHBondContact O-N 3.39Å; P212-Y443 WeakPolarHBondContact CD-OH 3.31Å; P212-Y443 WeakPolarHBondContact CG-OH 3.46Å
213F95.7Very high95.9Very high151 Ų15166.3 Ų66.366%0.66235%0.353SS*.Hα-helixtrans-75.4-48.5178.5178.7-99.3000111.8L210 L211 L215 S216L210-F213 WeakPolarHBondContact O-CB 3.34Å; L210-F213 PolarHBondContact O-N 3.31Å; L211-F213 PolarHBondContact O-N 2.97Å; F213-L215 VanDerWaalsContact C-N 3.28Å; F213-L215 PolarHBondContact O-N 2.73Å; F213-S216 VanDerWaalsContact O-CB 3.27Å; F213-S216 WeakPolarHBondContact O-CB 3.45Å; F213-S216 PolarHBondContact O-N 3.46Å; F213-S216 PolarHBondContact O-OG 2.88Å
214L96.3Very high95.7Very high93 Ų9362.4 Ų62.449%0.48733%0.332SS..Hα-helixtrans-61.9-35.3-179.8-67.1173.6000112.3I207 L210 L211 P217I207-L214 HydrophobicContact CG2-CD1 4.43Å; L210-L214 HydrophobicContact CB-CD1 3.97Å; L210-L214 HydrophobicContact CB-CG 4.15Å; L210-L214 WeakPolarHBondContact O-CG 3.31Å; L210-L214 PolarHBondContact O-N 3.43Å; L211-L214 PolarHBondContact O-N 2.94Å; L214-P217 WeakPolarHBondContact O-CD 3.29Å
215L95.9Very high95.6Very high23 Ų2362.2 Ų62.212%0.1233%0.331CS..THydrogen-bonded Turntrans-90.3-6.1179.7-62.7178.4000113.5L211 F213 P217 G218 Y219 Y443 P456 L459L211-L215 HydrophobicContact CB-CD1 4.47Å; L211-L215 HydrophobicContact CD2-CD1 4.24Å; L211-L215 VanDerWaalsContact O-CB 3.24Å; L211-L215 WeakPolarHBondContact O-CB 3.25Å; L211-L215 WeakPolarHBondContact O-CG 3.35Å; L211-L215 PolarHBondContact O-N 2.87Å; F213-L215 VanDerWaalsContact C-N 3.28Å; F213-L215 PolarHBondContact O-N 2.73Å; L215-P217 VanDerWaalsContact C-N 3.29Å; L215-P217 WeakPolarHBondContact O-CD 3.38Å; L215-P217 VanDerWaalsContact O-N 3.13Å; L215-G218 PolarHBondContact O-N 3.48Å; L215-Y219 HydrophobicContact CB-CD2 3.94Å; L215-Y219 HydrophobicContact CD2-CD2 4.43Å; L215-Y219 PolarHBondContact O-N 3.45Å; L215-Y443 HydrophobicContact CB-CE1 4.46Å; L215-Y443 HydrophobicContact CD1-CD1 4.36Å; L215-Y443 HydrophobicContact CD1-CE1 4.03Å; L215-P456 HydrophobicContact CD1-CB 3.72Å; L215-P456 HydrophobicContact CD1-CG 3.98Å; L215-L459 HydrophobicContact CD1-CD1 4.33Å; L215-L459 HydrophobicContact CD2-CD1 3.98Å
216S94.5Very high95.5Very high48 Ų4859 Ų5934%0.33632%0.315SS..THydrogen-bonded Turntrans-53.2-30.7-178.469.60000116.1P212 F213 G218 Y219 R446P212-S216 WeakPolarHBondContact O-CB 3.26Å; P212-S216 PolarHBondContact O-N 3.39Å; F213-S216 VanDerWaalsContact O-CB 3.27Å; F213-S216 WeakPolarHBondContact O-CB 3.45Å; F213-S216 PolarHBondContact O-N 3.46Å; F213-S216 PolarHBondContact O-OG 2.88Å; S216-G218 VanDerWaalsContact C-N 3.29Å; S216-G218 PolarHBondContact O-N 3.18Å; S216-Y219 CarbonylContact C-O 3.44Å; S216-Y219 WeakPolarHBondContact CA-O 3.34Å; S216-Y219 VanDerWaalsContact O-O 3.07Å; S216-R446 PolarHBondContact O-NE 3.01Å; S216-R446 PolarHBondContact O-NH2 3.29Å
217P94.5Very high95.3Very high90 Ų9054.7 Ų54.758%0.58429%0.292SS*.THydrogen-bonded Turntrans-69.2-26.7176.1-20.535.1000113.3L214 L215 R446L214-P217 WeakPolarHBondContact O-CD 3.29Å; L215-P217 VanDerWaalsContact C-N 3.29Å; L215-P217 WeakPolarHBondContact O-CD 3.38Å; L215-P217 VanDerWaalsContact O-N 3.13Å; P217-R446 WeakPolarHBondContact O-CD 3.21Å; P217-R446 PolarHBondContact O-NE 3.32Å
218G94.9Very high95.2Very high11 Ų1152.3 Ų52.311%0.11328%0.281CS..THydrogen-bonded Turntrans-107.7-23.2-178.100000114.3L215 S216 R446 L451L215-G218 PolarHBondContact O-N 3.48Å; S216-G218 VanDerWaalsContact C-N 3.29Å; S216-G218 PolarHBondContact O-N 3.18Å; G218-R446 WeakPolarHBondContact O-CB 3.28Å; G218-R446 WeakPolarHBondContact O-CG 3.3Å; G218-R446 PolarHBondContact O-N 3.45Å; G218-L451 VanDerWaalsContact CA-CD1 3.45Å; G218-L451 WeakPolarHBondContact O-CD1 3.24Å
219Y96.2Very high95Very high7 Ų754 Ų543%0.02729%0.286CS..EExtended strand (participates in β ladder)trans-131.4147.9-173.1-61.4-95.6000110.9L215 S216 V444 P445 L451 S452 L455 P456L215-Y219 HydrophobicContact CB-CD2 3.94Å; L215-Y219 HydrophobicContact CD2-CD2 4.43Å; L215-Y219 PolarHBondContact O-N 3.45Å; S216-Y219 CarbonylContact C-O 3.44Å; S216-Y219 WeakPolarHBondContact CA-O 3.34Å; S216-Y219 VanDerWaalsContact O-O 3.07Å; Y219-V444 CarbonylContact C-O 3.59Å; Y219-V444 VanDerWaalsContact CA-O 3.27Å; Y219-V444 WeakPolarHBondContact CA-O 3.39Å; Y219-P445 HydrophobicContact CD1-CB 4.11Å; Y219-P445 HydrophobicContact CE1-CB 3.87Å; Y219-L451 HydrophobicContact CE2-CD1 4.36Å; Y219-S452 PolarHBondContact OH-O 2.81Å; Y219-L455 HydrophobicContact CE2-CD2 4.29Å; Y219-L455 WeakPolarHBondContact OH-CB 3.2Å; Y219-P456 HydrophobicContact CD1-CG 3.68Å; Y219-P456 HydrophobicContact CD2-CG 4.33Å; Y219-P456 HydrophobicContact CE1-CG 3.57Å; Y219-P456 HydrophobicContact CE2-CG 4.25Å; Y219-P456 HydrophobicContact CG-CG 4.08Å
220H93.8Very high94.8Very high69 Ų6947 Ų4732%0.31926%0.26SS..EExtended strand (participates in β ladder)trans-109152.2170-71.8-78.2000110.3V444 R446H220-V444 PolarHBondContact N-O 3.38Å; H220-V444 PolarHBondContact O-N 2.93Å; H220-R446 WeakPolarHBondContact CD2-CG 3.25Å; H220-R446 PolarHBondContact CE1-NH1 2.95Å; H220-R446 PolarHBondContact CE1-NH2 3.43Å; H220-R446 PolarHBondContact ND1-NH2 3.41Å; H220-R446 WeakPolarHBondContact NE2-CG 3.47Å; H220-R446 PolarHBondContact NE2-NE 3.49Å; H220-R446 PolarHBondContact NE2-NH1 2.64Å
221V94.5Very high94.7Very high68 Ų6847.6 Ų47.641%0.41226%0.257SS..  trans-128147.2173.7-172.80000107.6T223 D442 Y443V221-T223 PolarHBondContact O-N 2.89Å; V221-D442 HydrophobicContact CG1-CB 4.25Å; V221-Y443 HydrophobicContact CG2-CD1 3.99Å; V221-Y443 HydrophobicContact CG2-CE1 4.16Å
222G93.3Very high94.3Very high33 Ų3355.4 Ų55.434%0.3429%0.293SS..SBendtrans83.25.7173.800000115.7N257G222-N257 CarbonylContact C-O 3.48Å; G222-N257 VanDerWaalsContact CA-O 3.32Å; G222-N257 WeakPolarHBondContact CA-O 3.39Å
223T91.4Very high93.9Very high77 Ų7760.4 Ų60.447%0.47232%0.316SS..SBendtrans-105.310.5176.658.70000113V221V221-T223 PolarHBondContact O-N 2.89Å
224G94.7Very high93.4Very high0 Ų053.9 Ų53.90%029%0.289CS..  trans133.5168.9-167.900000111.6I248 V256 V444G224-I248 CarbonylContact C-O 3.46Å; G224-I248 WeakPolarHBondContact CA-O 3.46Å; G224-V256 VanDerWaalsContact CA-O 3.3Å; G224-V256 WeakPolarHBondContact CA-O 3.34Å; G224-V444 WeakPolarHBondContact O-CG2 3.33Å
225V96.1Very high92.8Very high0 Ų054.5 Ų54.50%030%0.297CS..EExtended strand (participates in β ladder)trans-97.2129174-65.20000110.3A247 I248 V256 Q258 W262 V440 S441V225-A247 CarbonylContact O-C 3.58Å; V225-A247 WeakPolarHBondContact O-CA 3.38Å; V225-I248 HydrophobicContact CG2-CB 3.8Å; V225-I248 HydrophobicContact CG2-CD1 4.49Å; V225-I248 PolarHBondContact N-O 3.25Å; V225-I248 PolarHBondContact O-N 3.09Å; V225-V256 HydrophobicContact CB-CG1 4.32Å; V225-V256 HydrophobicContact CG1-CG1 3.7Å; V225-V256 HydrophobicContact CG2-CG1 3.78Å; V225-Q258 WeakPolarHBondContact CG1-O 3.45Å; V225-W262 HydrophobicContact CG1-CB 4.2Å; V225-W262 HydrophobicContact CG2-CB 4.2Å; V225-W262 HydrophobicContact CG2-CD2 4.46Å; V225-W262 HydrophobicContact CG2-CE3 4.37Å; V225-W262 HydrophobicContact CG2-CG 4.42Å; V225-V440 HydrophobicContact CB-CB 4.17Å; V225-V440 HydrophobicContact CG2-CB 4.2Å; V225-V440 HydrophobicContact CG2-CG1 4.09Å; V225-S441 CarbonylContact C-O 3.55Å; V225-S441 WeakPolarHBondContact CA-O 3.04Å
226G95.3Very high92.4Very high0 Ų053.5 Ų53.50%029%0.291CS..EExtended strand (participates in β ladder)trans-77.9133.5179.400000111.7T228 D246 V440 S441G226-T228 PolarHBondContact O-N 3.49Å; G226-D246 CarbonylContact C-O 3.54Å; G226-D246 WeakPolarHBondContact CA-O 3.4Å; G226-V440 CarbonylContact O-C 3.39Å; G226-V440 VanDerWaalsContact O-CA 3.27Å; G226-V440 WeakPolarHBondContact O-CA 3.42Å; G226-S441 PolarHBondContact N-O 2.95Å; G226-S441 PolarHBondContact O-N 2.93Å
227V95.5Very high92Very high0 Ų053.3 Ų53.30%029%0.289CS..EExtended strand (participates in β ladder)trans-77.5113.7175.2-179.40000109.5L230 L242 L244 G245 D246 I248 I438V227-L230 HydrophobicContact CG1-CD1 4Å; V227-L230 HydrophobicContact CG1-CD2 3.72Å; V227-L230 HydrophobicContact CG1-CG 3.64Å; V227-L242 HydrophobicContact CG2-CD1 4.22Å; V227-L242 HydrophobicContact CG2-CD2 4.47Å; V227-L244 HydrophobicContact CG1-CD2 4.39Å; V227-G245 PolarHBondContact O-N 3.36Å; V227-D246 HydrophobicContact CG2-CB 4.32Å; V227-D246 WeakPolarHBondContact CG2-O 3.4Å; V227-D246 PolarHBondContact N-O 3.11Å; V227-I248 HydrophobicContact CG2-CD1 4.05Å; V227-I248 HydrophobicContact CG2-CG1 4.02Å; V227-I438 HydrophobicContact CG1-CG2 4.3Å; V227-I438 HydrophobicContact CG2-CG2 4.45Å
228T93.9Very high91.5Very high16 Ų1651.6 Ų51.610%0.09829%0.287CS..EExtended strand (participates in β ladder)trans-102.9-27.9-177.552.30000113.5G226 G439 S441 P453 N454G226-T228 PolarHBondContact O-N 3.49Å; T228-G439 PolarHBondContact N-O 2.84Å; T228-G439 PolarHBondContact OG1-O 2.71Å; T228-G439 VanDerWaalsContact OG1-O 3.1Å; T228-S441 VanDerWaalsContact CG2-CB 3.45Å; T228-P453 HydrophobicContact CG2-CB 4.32Å; T228-N454 WeakPolarHBondContact CB-OD1 3.45Å; T228-N454 PolarHBondContact O-ND2 3.26Å; T228-N454 PolarHBondContact O-OD1 2.85Å
229Y93.4Very high90.8Very high125 Ų12560.5 Ų60.549%0.4933%0.326SS..EExtended strand (participates in β ladder)trans-142.9142.6-179168.2-97.8000110.1R231 G439Y229-R231 HydrophobicContact CE1-CB 4.32Å; Y229-G439 PolarHBondContact N-O 3.04Å; Y229-G439 PolarHBondContact O-N 3.44Å
230L93.9Very high90Very high26 Ų2668.4 Ų68.414%0.13636%0.355CS..EExtended strand (participates in β ladder)trans-134130.4172.3-71.2168.8000108.2V227 E232 V236 T237 L242 L244 S437 I438V227-L230 HydrophobicContact CG1-CD1 4Å; V227-L230 HydrophobicContact CG1-CD2 3.72Å; V227-L230 HydrophobicContact CG1-CG 3.64Å; L230-E232 PolarHBondContact O-N 3.22Å; L230-V236 HydrophobicContact CD2-CG2 4.16Å; L230-T237 HydrophobicContact CB-CG2 4.04Å; L230-L242 HydrophobicContact CD1-CB 3.97Å; L230-L242 VanDerWaalsContact CD1-O 3.31Å; L230-L242 WeakPolarHBondContact CD1-O 3.49Å; L230-L242 HydrophobicContact CD2-CB 3.94Å; L230-L242 HydrophobicContact CD2-CD1 4.19Å; L230-L244 HydrophobicContact CB-CD2 4.39Å; L230-L244 HydrophobicContact CD1-CD2 4.18Å; L230-L244 HydrophobicContact CG-CD2 4.1Å; L230-S437 WeakPolarHBondContact CA-O 3.37Å; L230-I438 HydrophobicContact CD2-CG1 4.13Å; L230-I438 HydrophobicContact CD2-CG2 4.46Å
231R93.3Very high89.8Confident95 Ų9565.3 Ų65.336%0.35834%0.342SS..  trans-68.6127.2173.7-178.3166.663.9163.3-0.1109.7Y229 S234 T237 D433 S437Y229-R231 HydrophobicContact CE1-CB 4.32Å; R231-S234 VanDerWaalsContact O-CB 3.28Å; R231-S234 WeakPolarHBondContact O-CB 3.5Å; R231-S234 PolarHBondContact O-N 2.98Å; R231-S234 PolarHBondContact O-OG 2.88Å; R231-T237 WeakPolarHBondContact O-CG2 3.17Å; R231-D433 IonicContact NH2-OD1 3.89Å; R231-S437 PolarHBondContact N-O 2.95Å; R231-S437 PolarHBondContact NE-OG 2.91Å; R231-S437 VanDerWaalsContact NE-OG 3.16Å; R231-S437 PolarHBondContact NH2-OG 3.46Å
232E88.4Confident89.6Confident171 Ų17162.5 Ų62.580%0.79933%0.325SS*.THydrogen-bonded Turntrans-56144176.1-64.3178.5179.200110.8L230 S234L230-E232 PolarHBondContact O-N 3.22Å; E232-S234 PolarHBondContact O-N 3.44Å
233D85.5Confident89.5Confident166 Ų16662.9 Ų62.989%0.88833%0.325SS*.THydrogen-bonded Turntrans5520.5-179-58.3-38.8000116
234S87Confident89.6Confident13 Ų1363.5 Ų63.59%0.09133%0.325CS..  trans-82.2158175.1670000112.6R231 E232 V236 T237R231-S234 VanDerWaalsContact O-CB 3.28Å; R231-S234 WeakPolarHBondContact O-CB 3.5Å; R231-S234 PolarHBondContact O-N 2.98Å; R231-S234 PolarHBondContact O-OG 2.88Å; E232-S234 PolarHBondContact O-N 3.44Å; S234-V236 PolarHBondContact O-N 3.45Å; S234-V236 VanDerWaalsContact OG-CG2 3.24Å; S234-V236 WeakPolarHBondContact OG-CG2 3.29Å; S234-T237 PolarHBondContact N-OG1 3.32Å; S234-T237 PolarHBondContact O-N 3.45Å; S234-T237 PolarHBondContact O-OG1 2.92Å; S234-T237 WeakPolarHBondContact OG-CG2 3.44Å
235V83.2Confident89.5Confident107 Ų10763.6 Ų63.665%0.64833%0.326SS*.THydrogen-bonded Turntrans-57.5-23.2-179.9-175.90000113F427V235-F427 HydrophobicContact CB-CD2 4.42Å; V235-F427 HydrophobicContact CG1-CD2 4.48Å
236V86.5Confident89.4Confident1 Ų164.3 Ų64.31%0.00633%0.329CS..THydrogen-bonded Turntrans-87.5-5179.7-62.90000113.4L230 S234 G241 L242 F427 L434 I438L230-V236 HydrophobicContact CD2-CG2 4.16Å; S234-V236 PolarHBondContact O-N 3.45Å; S234-V236 VanDerWaalsContact OG-CG2 3.24Å; S234-V236 WeakPolarHBondContact OG-CG2 3.29Å; V236-G241 CarbonylContact O-C 3.46Å; V236-G241 WeakPolarHBondContact O-CA 3.41Å; V236-L242 PolarHBondContact O-N 3.23Å; V236-F427 HydrophobicContact CG1-CD2 4.11Å; V236-L434 HydrophobicContact CG1-CD1 3.63Å; V236-I438 HydrophobicContact CB-CD1 4.48Å; V236-I438 HydrophobicContact CG1-CD1 4.19Å; V236-I438 HydrophobicContact CG2-CD1 4.39Å; V236-I438 HydrophobicContact CG2-CG1 3.97Å
237T86.9Confident89.4Confident45 Ų4564.3 Ų64.328%0.27633%0.33SS..  trans-99.4169176.964.20000112.3L230 R231 S234L230-T237 HydrophobicContact CB-CG2 4.04Å; R231-T237 WeakPolarHBondContact O-CG2 3.17Å; S234-T237 PolarHBondContact N-OG1 3.32Å; S234-T237 PolarHBondContact O-N 3.45Å; S234-T237 PolarHBondContact O-OG1 2.92Å; S234-T237 WeakPolarHBondContact OG-CG2 3.44Å
238G83.9Confident89.4Confident54 Ų5464.3 Ų64.356%0.55733%0.33SS*.SBendtrans107.9-174.2177.800000114.2R240 G241G238-R240 PolarHBondContact O-N 2.86Å; G238-G241 PolarHBondContact O-N 2.9Å
239H79.5Confident89.5Confident198 Ų19865.4 Ų65.492%0.91734%0.336SS*.THydrogen-bonded Turntrans-55.8-29.1-171.7-52.785.9000114.8
240R80.9Confident89.6Confident173 Ų17364.1 Ų64.165%0.65333%0.33SS*.THydrogen-bonded Turntrans-112.810.9177-66.8-177.9173.8174.7-1.5112.5G238G238-R240 PolarHBondContact O-N 2.86Å
241G88.2Confident89.7Confident4 Ų462.9 Ų62.94%0.04132%0.324CS..SBendtrans-88.9-176.8-179.300000113.2V236 G238 R419 I425V236-G241 CarbonylContact O-C 3.46Å; V236-G241 WeakPolarHBondContact O-CA 3.41Å; G238-G241 PolarHBondContact O-N 2.9Å; G241-R419 PolarHBondContact O-NH1 3.25Å; G241-R419 VanDerWaalsContact O-NH1 3.09Å; G241-R419 PolarHBondContact O-NH2 3.04Å; G241-I425 VanDerWaalsContact C-CD1 3.44Å
242L91.8Very high89.7Confident9 Ų959 Ų595%0.04731%0.31CS..  trans-68.9150.3171.5-68.9174.1000109.9V227 L230 V236 I248 L415 H417 I425 I438V227-L242 HydrophobicContact CG2-CD1 4.22Å; V227-L242 HydrophobicContact CG2-CD2 4.47Å; L230-L242 HydrophobicContact CD1-CB 3.97Å; L230-L242 VanDerWaalsContact CD1-O 3.31Å; L230-L242 WeakPolarHBondContact CD1-O 3.49Å; L230-L242 HydrophobicContact CD2-CB 3.94Å; L230-L242 HydrophobicContact CD2-CD1 4.19Å; V236-L242 PolarHBondContact O-N 3.23Å; L242-I248 HydrophobicContact CD1-CD1 4.15Å; L242-I248 HydrophobicContact CD2-CG1 4.43Å; L242-L415 HydrophobicContact CD1-CD1 4.45Å; L242-H417 HydrophobicContact CD2-CB 4.23Å; L242-I425 HydrophobicContact CB-CD1 4.17Å; L242-I425 HydrophobicContact CD2-CD1 3.45Å; L242-I425 VanDerWaalsContact CD2-CD1 3.45Å; L242-I425 HydrophobicContact CG-CD1 3.38Å; L242-I425 VanDerWaalsContact N-CD1 3.26Å; L242-I438 HydrophobicContact CD1-CD1 3.57Å; L242-I438 HydrophobicContact CD1-CG1 4.16Å; L242-I438 HydrophobicContact CD1-CG2 4.46Å
243A91.5Very high89.9Confident41 Ų4153 Ų5334%0.33929%0.287SS..  trans-119.7155169.500000109.2G245 D246 R419A243-G245 PolarHBondContact O-N 2.86Å; A243-D246 PolarHBondContact N-OD2 3.12Å; A243-D246 WeakPolarHBondContact O-CB 3.42Å; A243-D246 PolarHBondContact O-N 3.02Å; A243-D246 VanDerWaalsContact O-N 3.15Å; A243-R419 VanDerWaalsContact N-NH2 3.13Å
244L92.2Very high90.4Very high90 Ų9046.2 Ų46.247%0.47125%0.252SS..THydrogen-bonded Turntrans-60132.1174.3-62.2179.3000109.9V227 L230 P453V227-L244 HydrophobicContact CG1-CD2 4.39Å; L230-L244 HydrophobicContact CB-CD2 4.39Å; L230-L244 HydrophobicContact CD1-CD2 4.18Å; L230-L244 HydrophobicContact CG-CD2 4.1Å; L244-P453 HydrophobicContact CB-CG 4.19Å
245G92.6Very high90.8Very high2 Ų248.9 Ų48.92%0.02127%0.27CS..THydrogen-bonded Turntrans86.2-4.8-17700000115.6V227 A243V227-G245 PolarHBondContact O-N 3.36Å; A243-G245 PolarHBondContact O-N 2.86Å
246D93.7Very high91.5Very high14 Ų1443.8 Ų43.88%0.07524%0.239CC..  trans-60.8149.9166.4-73.9-26.6000110.2G226 V227 A243 R419G226-D246 CarbonylContact C-O 3.54Å; G226-D246 WeakPolarHBondContact CA-O 3.4Å; V227-D246 HydrophobicContact CG2-CB 4.32Å; V227-D246 WeakPolarHBondContact CG2-O 3.4Å; V227-D246 PolarHBondContact N-O 3.11Å; A243-D246 PolarHBondContact N-OD2 3.12Å; A243-D246 WeakPolarHBondContact O-CB 3.42Å; A243-D246 PolarHBondContact O-N 3.02Å; A243-D246 VanDerWaalsContact O-N 3.15Å; D246-R419 IonicContact OD1-NE 3.82Å; D246-R419 PolarHBondContact OD1-NE 2.97Å; D246-R419 IonicContact OD1-NH2 3.55Å; D246-R419 IonicContact OD2-CZ 3.76Å; D246-R419 IonicContact OD2-NE 3.73Å; D246-R419 IonicContact OD2-NH2 3.97Å; D246-R419 PolarHBondContact OD2-NH2 3.47Å
247A95.2Very high92Very high1 Ų147.3 Ų47.31%0.00826%0.257CS..EExtended strand (participates in β ladder)trans-104.5122.4171.900000110.3V225 H417 N418 V444V225-A247 CarbonylContact O-C 3.58Å; V225-A247 WeakPolarHBondContact O-CA 3.38Å; A247-H417 CarbonylContact O-C 3.46Å; A247-H417 WeakPolarHBondContact O-CA 3.39Å; A247-H417 WeakPolarHBondContact O-CB 3.3Å; A247-N418 HydrophobicContact CB-CB 4.14Å; A247-N418 PolarHBondContact N-OD1 3.2Å; A247-N418 PolarHBondContact O-N 3.42Å; A247-V444 HydrophobicContact CB-CB 4.36Å; A247-V444 HydrophobicContact CB-CG1 3.68Å; A247-V444 HydrophobicContact CB-CG2 3.69Å
248I96.3Very high92.3Very high0 Ų049.9 Ų49.90%027%0.266CS..EExtended strand (participates in β ladder)trans-81120.6169-55.7171.2000107.6G224 V225 V227 L242 W262 I438 V440G224-I248 CarbonylContact C-O 3.46Å; G224-I248 WeakPolarHBondContact CA-O 3.46Å; V225-I248 HydrophobicContact CG2-CB 3.8Å; V225-I248 HydrophobicContact CG2-CD1 4.49Å; V225-I248 PolarHBondContact N-O 3.25Å; V225-I248 PolarHBondContact O-N 3.09Å; V227-I248 HydrophobicContact CG2-CD1 4.05Å; V227-I248 HydrophobicContact CG2-CG1 4.02Å; L242-I248 HydrophobicContact CD1-CD1 4.15Å; L242-I248 HydrophobicContact CD2-CG1 4.43Å; I248-W262 HydrophobicContact CD1-CE3 4.36Å; I248-W262 HydrophobicContact CD1-CH2 3.88Å; I248-W262 HydrophobicContact CD1-CZ3 3.79Å; I248-W262 HydrophobicContact CG2-CE3 4.21Å; I248-W262 HydrophobicContact CG2-CZ3 3.88Å; I248-I438 HydrophobicContact CD1-CG2 4.31Å; I248-V440 HydrophobicContact CD1-CG1 4.5Å
249T96.4Very high92.9Very high38 Ų3850.7 Ų50.723%0.23326%0.256CS..EExtended strand (participates in β ladder)trans-107.5-25.7-17359.90000112.6V256 V416 N418T249-V256 PolarHBondContact O-N 2.98Å; T249-V416 PolarHBondContact N-O 2.87Å; T249-V416 PolarHBondContact OG1-O 3.35Å; T249-N418 HydrophobicContact CG2-CB 4.36Å
250R95.7Very high93.6Very high98 Ų9844.8 Ų44.837%0.3724%0.237SC..EExtended strand (participates in β ladder)trans-149.7147.5178.1-51.1172.861.382.6-8111.4S253 C254 V416R250-S253 VanDerWaalsContact NH2-C 3.28Å; R250-S253 PolarHBondContact NH2-O 2.96Å; R250-C254 CarbonylContact C-O 3.5Å; R250-C254 WeakPolarHBondContact CA-O 3.24Å; R250-C254 WeakPolarHBondContact CB-O 3.47Å; R250-V416 HydrophobicContact CB-CB 3.94Å; R250-V416 HydrophobicContact CB-CG2 4.06Å; R250-V416 HydrophobicContact CG-CB 4.48Å; R250-V416 PolarHBondContact N-O 2.88Å; R250-V416 PolarHBondContact O-N 3.48Å
251V95.8Very high94.4Very high1 Ų138.5 Ų38.51%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-115.3112.9166.91750000106.5S253 C254 V256 W262 C265 L266 A269 V413 R414 L415V251-S253 PolarHBondContact O-N 3.38Å; V251-C254 PolarHBondContact N-O 2.97Å; V251-C254 WeakPolarHBondContact O-CA 3.5Å; V251-C254 VanDerWaalsContact O-CB 3.29Å; V251-C254 WeakPolarHBondContact O-CB 3.34Å; V251-C254 PolarHBondContact O-N 2.81Å; V251-V256 HydrophobicContact CB-CG2 4.47Å; V251-V256 HydrophobicContact CG2-CG2 3.88Å; V251-W262 HydrophobicContact CG2-CE3 3.7Å; V251-W262 HydrophobicContact CG2-CZ3 3.51Å; V251-C265 HydrophobicContact CB-CB 3.83Å; V251-C265 HydrophobicContact CG1-CB 4.28Å; V251-C265 HydrophobicContact CG2-CB 4.18Å; V251-L266 HydrophobicContact CG1-CD2 4.14Å; V251-A269 HydrophobicContact CG1-CB 4.39Å; V251-V413 HydrophobicContact CG1-CG1 3.69Å; V251-R414 CarbonylContact C-O 3.49Å; V251-R414 WeakPolarHBondContact CA-O 3.46Å; V251-L415 HydrophobicContact CG2-CD2 3.95Å
252N93.8Very high94.8Very high12 Ų1238.3 Ų38.36%0.06421%0.214CC..THydrogen-bonded Turntrans51.5-112.6-167.2-61.4-23000110.9R414N252-R414 PolarHBondContact N-O 3.5Å; N252-R414 WeakPolarHBondContact OD1-CB 3.4Å; N252-R414 PolarHBondContact OD1-N 2.89Å
253S91.5Very high95Very high46 Ų4642.5 Ų42.532%0.32223%0.232SC..THydrogen-bonded Turntrans-98.5-7.7177.9-43.50000113R250 V251 S365R250-S253 VanDerWaalsContact NH2-C 3.28Å; R250-S253 PolarHBondContact NH2-O 2.96Å; V251-S253 PolarHBondContact O-N 3.38Å; S253-S365 VanDerWaalsContact OG-CB 3.24Å; S253-S365 WeakPolarHBondContact OG-CB 3.33Å; S253-S365 PolarHBondContact OG-OG 2.9Å
254C95.1Very high95.2Very high23 Ų2347.1 Ų47.116%0.15524%0.244CC..EExtended strand (participates in β ladder)trans-83.5119.7-175.9-170.10000110R250 V251 C265R250-C254 CarbonylContact C-O 3.5Å; R250-C254 WeakPolarHBondContact CA-O 3.24Å; R250-C254 WeakPolarHBondContact CB-O 3.47Å; V251-C254 PolarHBondContact N-O 2.97Å; V251-C254 WeakPolarHBondContact O-CA 3.5Å; V251-C254 VanDerWaalsContact O-CB 3.29Å; V251-C254 WeakPolarHBondContact O-CB 3.34Å; V251-C254 PolarHBondContact O-N 2.81Å; C254-C265 HydrophobicContact CB-CB 3.61Å; C254-C265 WeakPolarHBondContact CB-SG 3.35Å; C254-C265 VanDerWaalsContact SG-CA 3.6Å; C254-C265 WeakPolarHBondContact SG-CB 3.49Å; C254-C265 CovalentContact SG-SG 2.03Å; C254-C265 PolarHBondContact SG-SG 3.46Å
255P96.7Very high95.4Very high70 Ų7043 Ų4346%0.45522%0.223SC..EExtended strand (participates in β ladder)trans-72.4136.4176.730.5-32.8000110.7
256V97.4Very high95.6Very high0 Ų043.1 Ų43.10%022%0.223CC..  trans-117.3114.8178.4175.50000107.8G224 V225 T249 V251 D261 W262 C265G224-V256 VanDerWaalsContact CA-O 3.3Å; G224-V256 WeakPolarHBondContact CA-O 3.34Å; V225-V256 HydrophobicContact CB-CG1 4.32Å; V225-V256 HydrophobicContact CG1-CG1 3.7Å; V225-V256 HydrophobicContact CG2-CG1 3.78Å; T249-V256 PolarHBondContact O-N 2.98Å; V251-V256 HydrophobicContact CB-CG2 4.47Å; V251-V256 HydrophobicContact CG2-CG2 3.88Å; V256-D261 HydrophobicContact CB-CB 4.46Å; V256-D261 HydrophobicContact CG1-CB 4.26Å; V256-W262 HydrophobicContact CG1-CB 3.99Å; V256-C265 HydrophobicContact CG2-CB 4.15Å
257N96.2Very high95.6Very high74 Ų7448.4 Ų48.440%0.39625%0.248SC..  trans-112-30.6176.4-61.7-42.2000111.8G222 D261G222-N257 CarbonylContact C-O 3.48Å; G222-N257 VanDerWaalsContact CA-O 3.32Å; G222-N257 WeakPolarHBondContact CA-O 3.39Å; N257-D261 WeakPolarHBondContact CB-OD2 3.4Å; N257-D261 PolarHBondContact N-OD2 3.23Å
258Q94.9Very high95.6Very high100 Ų10053 Ų5347%0.46727%0.269SS..SBendtrans-133166.6-178.4-65.3174.25700111.6V225 S260 D261 W262 D442V225-Q258 WeakPolarHBondContact CG1-O 3.45Å; Q258-S260 VanDerWaalsContact C-N 3.27Å; Q258-S260 PolarHBondContact O-N 2.82Å; Q258-D261 PolarHBondContact N-OD2 3.39Å; Q258-D261 WeakPolarHBondContact O-CB 3.44Å; Q258-D261 PolarHBondContact O-N 2.93Å; Q258-W262 PolarHBondContact O-N 2.99Å; Q258-W262 VanDerWaalsContact O-N 3.15Å; Q258-D442 WeakPolarHBondContact CA-OD1 3.36Å
259Q94.7Very high95.4Very high71 Ų7153.3 Ų53.333%0.33227%0.271SS..Hα-helixtrans-60.4-34.3-179.3-178171.95600112.5D261 W262 F263 V440 D442Q259-D261 VanDerWaalsContact C-N 3.31Å; Q259-D261 PolarHBondContact O-N 3.44Å; Q259-W262 WeakPolarHBondContact O-CB 3.41Å; Q259-W262 PolarHBondContact O-N 2.69Å; Q259-F263 HydrophobicContact CG-CD2 4.15Å; Q259-F263 HydrophobicContact CG-CE2 3.69Å; Q259-F263 WeakPolarHBondContact O-CD2 3.5Å; Q259-F263 PolarHBondContact O-N 2.87Å; Q259-V440 HydrophobicContact CG-CG2 4.06Å; Q259-V440 PolarHBondContact NE2-O 2.79Å; Q259-V440 VanDerWaalsContact NE2-O 3.1Å; Q259-D442 WeakPolarHBondContact CB-OD1 3.39Å; Q259-D442 PolarHBondContact N-OD1 3.4Å
260S95.8Very high95.2Very high74 Ų7456.1 Ų56.152%0.51728%0.278SS..Hα-helixtrans-62.3-39.3172.355.20000112.3Q258 W262 F263 K264Q258-S260 VanDerWaalsContact C-N 3.27Å; Q258-S260 PolarHBondContact O-N 2.82Å; S260-W262 VanDerWaalsContact C-N 3.3Å; S260-W262 PolarHBondContact O-N 3.06Å; S260-F263 PolarHBondContact O-N 3.48Å; S260-K264 VanDerWaalsContact O-CB 3.31Å; S260-K264 WeakPolarHBondContact O-CB 3.48Å; S260-K264 PolarHBondContact O-N 3.49Å
261D96.8Very high95Very high40 Ų4056 Ų5621%0.21428%0.284CS..Hα-helixtrans-67.3-35.9178.9-54.2-28.1000110.5V256 N257 Q258 Q259 K264 C265V256-D261 HydrophobicContact CB-CB 4.46Å; V256-D261 HydrophobicContact CG1-CB 4.26Å; N257-D261 WeakPolarHBondContact CB-OD2 3.4Å; N257-D261 PolarHBondContact N-OD2 3.23Å; Q258-D261 PolarHBondContact N-OD2 3.39Å; Q258-D261 WeakPolarHBondContact O-CB 3.44Å; Q258-D261 PolarHBondContact O-N 2.93Å; Q259-D261 VanDerWaalsContact C-N 3.31Å; Q259-D261 PolarHBondContact O-N 3.44Å; D261-K264 PolarHBondContact O-N 2.96Å; D261-C265 VanDerWaalsContact O-CB 3.22Å; D261-C265 WeakPolarHBondContact O-CB 3.41Å; D261-C265 PolarHBondContact O-N 3.07Å; D261-C265 PolarHBondContact O-SG 2.98Å
262W96.5Very high94.8Very high1 Ų161.6 Ų61.60%0.00431%0.31CS..Hα-helixtrans-56.8-53.5175.1167-106.3000111.9V225 I248 V251 V256 Q258 Q259 S260 C265 L266 L415 I438 V440V225-W262 HydrophobicContact CG1-CB 4.2Å; V225-W262 HydrophobicContact CG2-CB 4.2Å; V225-W262 HydrophobicContact CG2-CD2 4.46Å; V225-W262 HydrophobicContact CG2-CE3 4.37Å; V225-W262 HydrophobicContact CG2-CG 4.42Å; I248-W262 HydrophobicContact CD1-CE3 4.36Å; I248-W262 HydrophobicContact CD1-CH2 3.88Å; I248-W262 HydrophobicContact CD1-CZ3 3.79Å; I248-W262 HydrophobicContact CG2-CE3 4.21Å; I248-W262 HydrophobicContact CG2-CZ3 3.88Å; V251-W262 HydrophobicContact CG2-CE3 3.7Å; V251-W262 HydrophobicContact CG2-CZ3 3.51Å; V256-W262 HydrophobicContact CG1-CB 3.99Å; Q258-W262 PolarHBondContact O-N 2.99Å; Q258-W262 VanDerWaalsContact O-N 3.15Å; Q259-W262 WeakPolarHBondContact O-CB 3.41Å; Q259-W262 PolarHBondContact O-N 2.69Å; S260-W262 VanDerWaalsContact C-N 3.3Å; S260-W262 PolarHBondContact O-N 3.06Å; W262-C265 PolarHBondContact O-N 3.19Å; W262-L266 HydrophobicContact CD2-CD1 4.03Å; W262-L266 HydrophobicContact CD2-CG 4.4Å; W262-L266 VanDerWaalsContact CE2-CD1 3.47Å; W262-L266 HydrophobicContact CH2-CD1 4.09Å; W262-L266 HydrophobicContact CH2-CD2 4.23Å; W262-L266 HydrophobicContact CH2-CG 4.41Å; W262-L266 HydrophobicContact CZ2-CD1 3.55Å; W262-L266 HydrophobicContact CZ2-CD2 4.49Å; W262-L266 HydrophobicContact CZ2-CG 4.32Å; W262-L266 HydrophobicContact CZ3-CD2 4.43Å; W262-L266 HydrophobicContact CZ3-CG 4.48Å; W262-L266 WeakPolarHBondContact O-CG 3.49Å; W262-L266 PolarHBondContact O-N 3.48Å; W262-L266 VanDerWaalsContact O-N 3.11Å; W262-L415 HydrophobicContact CH2-CD1 4.38Å; W262-L415 HydrophobicContact CH2-CD2 3.85Å; W262-L415 HydrophobicContact CZ3-CD2 3.72Å; W262-I438 HydrophobicContact CH2-CD1 4.18Å; W262-I438 HydrophobicContact CZ2-CD1 4.31Å; W262-V440 HydrophobicContact CD2-CG1 4.41Å; W262-V440 HydrophobicContact CG-CG2 4.17Å
263F96.2Very high94.5Very high97 Ų9763.6 Ų63.643%0.42532%0.324SS..Hα-helixtrans-65.8-42.8179.4-69-67000112Q259 S260 C265 L266 E267 V435Q259-F263 HydrophobicContact CG-CD2 4.15Å; Q259-F263 HydrophobicContact CG-CE2 3.69Å; Q259-F263 WeakPolarHBondContact O-CD2 3.5Å; Q259-F263 PolarHBondContact O-N 2.87Å; S260-F263 PolarHBondContact O-N 3.48Å; F263-C265 PolarHBondContact O-N 3.39Å; F263-L266 PolarHBondContact O-N 3.34Å; F263-E267 PolarHBondContact O-N 2.95Å; F263-V435 HydrophobicContact CE1-CG1 4.04Å
264K96.6Very high94.5Very high137 Ų13762.4 Ų62.460%0.59632%0.315SS*.Hα-helixtrans-60.1-45.8177-177.4-177175.5-176.50112.4S260 D261 L266 E267 E268S260-K264 VanDerWaalsContact O-CB 3.31Å; S260-K264 WeakPolarHBondContact O-CB 3.48Å; S260-K264 PolarHBondContact O-N 3.49Å; D261-K264 PolarHBondContact O-N 2.96Å; K264-L266 VanDerWaalsContact C-N 3.33Å; K264-L266 PolarHBondContact O-N 2.98Å; K264-E267 PolarHBondContact O-N 3.44Å; K264-E268 PolarHBondContact O-N 3.47Å
265C96.5Very high94.4Very high3 Ų361.3 Ų61.32%0.0231%0.308CS..Hα-helixtrans-68.7-31.9-179.8-69.10000112.4V251 C254 V256 D261 W262 F263 A269V251-C265 HydrophobicContact CB-CB 3.83Å; V251-C265 HydrophobicContact CG1-CB 4.28Å; V251-C265 HydrophobicContact CG2-CB 4.18Å; C254-C265 HydrophobicContact CB-CB 3.61Å; C254-C265 WeakPolarHBondContact CB-SG 3.35Å; C254-C265 VanDerWaalsContact SG-CA 3.6Å; C254-C265 WeakPolarHBondContact SG-CB 3.49Å; C254-C265 CovalentContact SG-SG 2.03Å; C254-C265 PolarHBondContact SG-SG 3.46Å; V256-C265 HydrophobicContact CG2-CB 4.15Å; D261-C265 VanDerWaalsContact O-CB 3.22Å; D261-C265 WeakPolarHBondContact O-CB 3.41Å; D261-C265 PolarHBondContact O-N 3.07Å; D261-C265 PolarHBondContact O-SG 2.98Å; W262-C265 PolarHBondContact O-N 3.19Å; F263-C265 PolarHBondContact O-N 3.39Å; C265-A269 WeakPolarHBondContact O-CB 3.32Å; C265-A269 PolarHBondContact O-N 2.92Å
266L95.9Very high94.3Very high6 Ų658.3 Ų58.33%0.03129%0.287CS..Hα-helixtrans-68.8-42173.3-74.4178.2000111.7V251 W262 F263 K264 A269 Y270 V413 L431 L434 V435V251-L266 HydrophobicContact CG1-CD2 4.14Å; W262-L266 HydrophobicContact CD2-CD1 4.03Å; W262-L266 HydrophobicContact CD2-CG 4.4Å; W262-L266 VanDerWaalsContact CE2-CD1 3.47Å; W262-L266 HydrophobicContact CH2-CD1 4.09Å; W262-L266 HydrophobicContact CH2-CD2 4.23Å; W262-L266 HydrophobicContact CH2-CG 4.41Å; W262-L266 HydrophobicContact CZ2-CD1 3.55Å; W262-L266 HydrophobicContact CZ2-CD2 4.49Å; W262-L266 HydrophobicContact CZ2-CG 4.32Å; W262-L266 HydrophobicContact CZ3-CD2 4.43Å; W262-L266 HydrophobicContact CZ3-CG 4.48Å; W262-L266 WeakPolarHBondContact O-CG 3.49Å; W262-L266 PolarHBondContact O-N 3.48Å; W262-L266 VanDerWaalsContact O-N 3.11Å; F263-L266 PolarHBondContact O-N 3.34Å; K264-L266 VanDerWaalsContact C-N 3.33Å; K264-L266 PolarHBondContact O-N 2.98Å; L266-A269 PolarHBondContact O-N 3.25Å; L266-Y270 PolarHBondContact O-N 2.92Å; L266-V413 HydrophobicContact CD2-CG1 4.39Å; L266-L431 WeakPolarHBondContact O-CD1 3.27Å; L266-L434 HydrophobicContact CD2-CD2 3.76Å; L266-V435 HydrophobicContact CD1-CG2 3.63Å
267E94.9Very high94.1Very high125 Ų12558.3 Ų58.358%0.58429%0.288SS*.Hα-helixtrans-61.4-43.7173.9-175.4175.8-156.800111.3F263 K264 A269 Y270 I271F263-E267 PolarHBondContact O-N 2.95Å; K264-E267 PolarHBondContact O-N 3.44Å; E267-A269 VanDerWaalsContact C-N 3.33Å; E267-A269 PolarHBondContact O-N 3.5Å; E267-Y270 VanDerWaalsContact O-CB 3.28Å; E267-Y270 WeakPolarHBondContact O-CB 3.16Å; E267-Y270 PolarHBondContact O-N 3.36Å; E267-Y270 VanDerWaalsContact O-N 3.09Å; E267-I271 HydrophobicContact CG-CD1 3.93Å; E267-I271 WeakPolarHBondContact O-CG1 3.31Å; E267-I271 PolarHBondContact O-N 3.13Å; E267-I271 VanDerWaalsContact O-N 3.08Å
268E93.7Very high94Very high98 Ų9855.1 Ų55.146%0.45827%0.271SS..Hα-helixtrans-60.3-41.9173.7-172.6176.6170.400111.8K264 Y270 I271 H272K264-E268 PolarHBondContact O-N 3.47Å; E268-Y270 PolarHBondContact O-N 3.27Å; E268-I271 PolarHBondContact O-N 2.93Å; E268-H272 PolarHBondContact O-N 3.48Å
269A93.1Very high93.7Very high6 Ų652.2 Ų52.25%0.0526%0.262CS..Hα-helixtrans-66.5-24.917600000113.4V251 C265 L266 E267 V413V251-A269 HydrophobicContact CG1-CB 4.39Å; C265-A269 WeakPolarHBondContact O-CB 3.32Å; C265-A269 PolarHBondContact O-N 2.92Å; L266-A269 PolarHBondContact O-N 3.25Å; E267-A269 VanDerWaalsContact C-N 3.33Å; E267-A269 PolarHBondContact O-N 3.5Å; A269-V413 HydrophobicContact CB-CG2 4.24Å
270Y92.2Very high93.3Very high97 Ų9748.9 Ų48.938%0.3825%0.246SC..Hα-helixtrans-71.9-50.6173.4-173.6-105.3000111.9L266 E267 E268 R411 L431L266-Y270 PolarHBondContact O-N 2.92Å; E267-Y270 VanDerWaalsContact O-CB 3.28Å; E267-Y270 WeakPolarHBondContact O-CB 3.16Å; E267-Y270 PolarHBondContact O-N 3.36Å; E267-Y270 VanDerWaalsContact O-N 3.09Å; E268-Y270 PolarHBondContact O-N 3.27Å; Y270-R411 HydrophobicContact CD2-CG 4.3Å; Y270-R411 PolarHBondContact O-NE 2.92Å; Y270-L431 HydrophobicContact CD2-CD1 3.94Å; Y270-L431 HydrophobicContact CD2-CG 4.33Å; Y270-L431 HydrophobicContact CG-CD1 4.21Å
271I91.5Very high92.8Very high95 Ų9546.4 Ų46.449%0.48723%0.23SC..Hα-helixtrans-76.6-40.8-172.3-60.3171.2000110.7E267 E268 P273E267-I271 HydrophobicContact CG-CD1 3.93Å; E267-I271 WeakPolarHBondContact O-CG1 3.31Å; E267-I271 PolarHBondContact O-N 3.13Å; E267-I271 VanDerWaalsContact O-N 3.08Å; E268-I271 PolarHBondContact O-N 2.93Å; I271-P273 WeakPolarHBondContact O-CD 3.14Å
272H90.2Very high92.2Very high118 Ų11848.7 Ų48.755%0.54624%0.237SC..SBendtrans-123.986.5-175.3-60.5-52.2000111.4E268 S274E268-H272 PolarHBondContact O-N 3.48Å; H272-S274 PolarHBondContact O-N 3.31Å
273P89.3Confident91.7Very high55 Ų5548.7 Ų48.736%0.35724%0.237SC..  trans-59.2121.2175.6-23.333.6000111.4I271 V402I271-P273 WeakPolarHBondContact O-CD 3.14Å; P273-V402 HydrophobicContact CB-CG1 4.21Å
274S89.8Confident91Very high21 Ų2145.3 Ų45.315%0.14723%0.225CC..  trans-72.8131.6178.4-48.20000111H272 P403H272-S274 PolarHBondContact O-N 3.31Å; S274-P403 WeakPolarHBondContact O-CD 3.41Å
275G93.3Very high90.2Very high0 Ų044.7 Ų44.70%023%0.225CC..EExtended strand (participates in β ladder)trans-88.6174.8167.500000112.6S365 C366 V401G275-S365 CarbonylContact O-C 3.6Å; G275-S365 WeakPolarHBondContact O-CA 3.32Å; G275-C366 CarbonylContact C-O 3.55Å; G275-C366 WeakPolarHBondContact CA-O 3.27Å; G275-C366 PolarHBondContact N-O 3.26Å; G275-C366 PolarHBondContact O-N 2.93Å; G275-V401 CarbonylContact C-O 3.56Å; G275-V401 WeakPolarHBondContact CA-O 3.33Å
276Y94.8Very high89.1Confident6 Ų646.5 Ų46.52%0.02424%0.235CC..EExtended strand (participates in β ladder)trans-135.9145.5179.6-57.9-82.4000111.9F337 V360 T361 T364 C366 V401Y276-F337 HydrophobicContact CD2-CE1 4.3Å; Y276-V360 WeakPolarHBondContact CB-O 3.41Å; Y276-V360 HydrophobicContact CD2-CG1 4.1Å; Y276-V360 HydrophobicContact CG-CG1 4.12Å; Y276-T361 HydrophobicContact CD2-CG2 4.3Å; Y276-T361 HydrophobicContact CE1-CG2 4.39Å; Y276-T361 WeakPolarHBondContact CE1-O 3.11Å; Y276-T361 HydrophobicContact CE2-CG2 3.68Å; Y276-T364 WeakPolarHBondContact CA-O 3.49Å; Y276-C366 PolarHBondContact N-SG 2.89Å; Y276-V401 PolarHBondContact N-O 2.68Å; Y276-V401 WeakPolarHBondContact O-CG2 3.37Å; Y276-V401 PolarHBondContact O-N 3.41Å
277C94.2Very high87.9Confident1 Ų149.4 Ų49.41%0.00725%0.25CC..EExtended strand (participates in β ladder)trans-83.6122.4-176.2-62.40000112.7R363 T364 C372 M398 H399C277-R363 WeakPolarHBondContact O-CB 3.5Å; C277-T364 WeakPolarHBondContact CB-OG1 3.38Å; C277-T364 PolarHBondContact N-O 2.93Å; C277-T364 PolarHBondContact SG-OG1 3.12Å; C277-C372 WeakPolarHBondContact CA-SG 3.28Å; C277-C372 HydrophobicContact CB-CB 3.62Å; C277-C372 WeakPolarHBondContact CB-SG 3.38Å; C277-C372 WeakPolarHBondContact SG-CA 3.4Å; C277-C372 WeakPolarHBondContact SG-CB 3.34Å; C277-C372 CovalentContact SG-SG 2.03Å; C277-C372 PolarHBondContact SG-SG 3.1Å; C277-M398 HydrophobicContact CB-CE 3.78Å; C277-H399 WeakPolarHBondContact CA-O 3.21Å
278V92.6Very high86.2Confident7 Ų749.9 Ų49.94%0.04226%0.257CS..EExtended strand (participates in β ladder)trans-130.5142.6-179.1-179.40000110.1Y282 L283 V360 H399 V401V278-Y282 HydrophobicContact CG1-CD1 3.48Å; V278-Y282 VanDerWaalsContact CG1-CD1 3.48Å; V278-Y282 HydrophobicContact CG1-CE1 4.29Å; V278-Y282 HydrophobicContact CG1-CG 4.28Å; V278-L283 HydrophobicContact CG1-CD2 4.11Å; V278-L283 HydrophobicContact CG1-CG 3.95Å; V278-V360 HydrophobicContact CG2-CG1 4.14Å; V278-V360 HydrophobicContact CG2-CG2 4.34Å; V278-H399 PolarHBondContact N-O 2.91Å; V278-H399 PolarHBondContact O-N 3.31Å; V278-V401 HydrophobicContact CB-CG1 4.07Å; V278-V401 HydrophobicContact CB-CG2 4.49Å; V278-V401 HydrophobicContact CG2-CG1 4.13Å; V278-V401 HydrophobicContact CG2-CG2 3.66Å
279S90.3Very high84.2Confident39 Ų3953.7 Ų53.727%0.27327%0.272SS..EExtended strand (participates in β ladder)trans-72.3141.6179.568.10000112A281 Y282 L283S279-A281 PolarHBondContact O-N 2.91Å; S279-Y282 WeakPolarHBondContact O-CB 3.28Å; S279-Y282 PolarHBondContact O-N 3.22Å; S279-Y282 WeakPolarHBondContact OG-CB 3.32Å; S279-Y282 PolarHBondContact OG-N 3.05Å; S279-L283 PolarHBondContact O-N 3.12Å; S279-L283 VanDerWaalsContact O-N 3.13Å
280G86.3Confident82.3Confident0 Ų055.9 Ų55.90%029%0.29CS..Hα-helixtrans-58.4-35.7174.400000112.3Y282 L283 S284 M393 S397G280-Y282 PolarHBondContact O-N 3.19Å; G280-L283 PolarHBondContact O-N 3.48Å; G280-S284 WeakPolarHBondContact O-CB 3.32Å; G280-S284 PolarHBondContact O-N 3.33Å; G280-S284 PolarHBondContact O-OG 2.7Å; G280-M393 WeakPolarHBondContact O-CE 3.31Å; G280-S397 PolarHBondContact N-O 3.2Å
281A83.8Confident80Confident23 Ų2356.8 Ų56.819%0.1931%0.31CS..Hα-helixtrans-56.7-47.3172.200000112.2S279 L283 S284 M285 T395S279-A281 PolarHBondContact O-N 2.91Å; A281-L283 PolarHBondContact O-N 3.34Å; A281-S284 PolarHBondContact O-N 3Å; A281-S284 PolarHBondContact O-OG 2.9Å; A281-M285 WeakPolarHBondContact O-CG 3.41Å; A281-M285 PolarHBondContact O-N 3.35Å; A281-M285 VanDerWaalsContact O-N 3.08Å; A281-T395 WeakPolarHBondContact CB-O 3.22Å; A281-T395 PolarHBondContact N-O 2.99Å
282Y85.8Confident77.6Confident88 Ų8857 Ų5735%0.34532%0.316SS..Hα-helixtrans-64.1-42.3179.7-176.8-106.7000112.1V278 S279 G280 M285 I286 L355 P356V278-Y282 HydrophobicContact CG1-CD1 3.48Å; V278-Y282 VanDerWaalsContact CG1-CD1 3.48Å; V278-Y282 HydrophobicContact CG1-CE1 4.29Å; V278-Y282 HydrophobicContact CG1-CG 4.28Å; S279-Y282 WeakPolarHBondContact O-CB 3.28Å; S279-Y282 PolarHBondContact O-N 3.22Å; S279-Y282 WeakPolarHBondContact OG-CB 3.32Å; S279-Y282 PolarHBondContact OG-N 3.05Å; G280-Y282 PolarHBondContact O-N 3.19Å; Y282-M285 PolarHBondContact O-N 2.87Å; Y282-I286 HydrophobicContact CD1-CD1 3.88Å; Y282-I286 HydrophobicContact CE1-CD1 3.45Å; Y282-I286 VanDerWaalsContact CE1-CD1 3.45Å; Y282-I286 HydrophobicContact CE2-CD1 4.09Å; Y282-I286 HydrophobicContact CG-CD1 4.41Å; Y282-I286 WeakPolarHBondContact O-CG1 3.32Å; Y282-I286 PolarHBondContact O-N 2.94Å; Y282-L355 HydrophobicContact CE1-CD2 4.06Å; Y282-P356 WeakPolarHBondContact OH-CG 3.34Å
283L86Confident75.1Confident1 Ų157.4 Ų57.41%0.00533%0.329CS..Hα-helixtrans-62.5-42.8176.1-69.4174.3000112V278 S279 G280 A281 M285 I286 D287 Y339 A353 L355 M393 H399 V401V278-L283 HydrophobicContact CG1-CD2 4.11Å; V278-L283 HydrophobicContact CG1-CG 3.95Å; S279-L283 PolarHBondContact O-N 3.12Å; S279-L283 VanDerWaalsContact O-N 3.13Å; G280-L283 PolarHBondContact O-N 3.48Å; A281-L283 PolarHBondContact O-N 3.34Å; L283-M285 PolarHBondContact O-N 2.92Å; L283-I286 PolarHBondContact O-N 3.44Å; L283-D287 PolarHBondContact O-N 2.87Å; L283-Y339 HydrophobicContact CD1-CD2 4.1Å; L283-Y339 HydrophobicContact CD1-CE2 4.06Å; L283-Y339 HydrophobicContact CD1-CG 4.39Å; L283-Y339 HydrophobicContact CD2-CE1 4.48Å; L283-A353 HydrophobicContact CD2-CB 4.14Å; L283-L355 HydrophobicContact CD2-CD1 3.95Å; L283-L355 HydrophobicContact CD2-CD2 4.13Å; L283-M393 HydrophobicContact CB-CE 3.48Å; L283-M393 VanDerWaalsContact CB-CE 3.48Å; L283-H399 HydrophobicContact CD1-CB 3.87Å; L283-V401 HydrophobicContact CD1-CG1 4.17Å; L283-V401 HydrophobicContact CD2-CG1 4.23Å
284S80.9Confident72.9Confident25 Ų2561.3 Ų61.318%0.17534%0.337CS..Hα-helixtrans-66.1-35179.267.50000113.2G280 A281 I286 N288G280-S284 WeakPolarHBondContact O-CB 3.32Å; G280-S284 PolarHBondContact O-N 3.33Å; G280-S284 PolarHBondContact O-OG 2.7Å; A281-S284 PolarHBondContact O-N 3Å; A281-S284 PolarHBondContact O-OG 2.9Å; S284-I286 VanDerWaalsContact C-N 3.27Å; S284-I286 PolarHBondContact O-N 2.83Å; S284-N288 PolarHBondContact O-N 3.45Å
285M78.7Confident70.3Confident124 Ų12468.2 Ų68.261%0.61136%0.36SS*.Hα-helixtrans-65.6-31.7175.8-72.9178.9-170.500112.4A281 Y282 L283A281-M285 WeakPolarHBondContact O-CG 3.41Å; A281-M285 PolarHBondContact O-N 3.35Å; A281-M285 VanDerWaalsContact O-N 3.08Å; Y282-M285 PolarHBondContact O-N 2.87Å; L283-M285 PolarHBondContact O-N 2.92Å
286I74.9Confident67.4Low42 Ų4271.8 Ų71.822%0.21538%0.384CS..Hα-helixtrans-82.3-41.6-179.8-66.7172000110.9Y282 L283 S284 N288 K289 A290 L355Y282-I286 HydrophobicContact CD1-CD1 3.88Å; Y282-I286 HydrophobicContact CE1-CD1 3.45Å; Y282-I286 VanDerWaalsContact CE1-CD1 3.45Å; Y282-I286 HydrophobicContact CE2-CD1 4.09Å; Y282-I286 HydrophobicContact CG-CD1 4.41Å; Y282-I286 WeakPolarHBondContact O-CG1 3.32Å; Y282-I286 PolarHBondContact O-N 2.94Å; L283-I286 PolarHBondContact O-N 3.44Å; S284-I286 VanDerWaalsContact C-N 3.27Å; S284-I286 PolarHBondContact O-N 2.83Å; I286-N288 VanDerWaalsContact C-N 3.3Å; I286-N288 PolarHBondContact O-N 3.39Å; I286-K289 PolarHBondContact O-N 2.88Å; I286-A290 PolarHBondContact O-N 3.46Å; I286-L355 HydrophobicContact CD1-CD2 3.36Å
287D69.4Low64.4Low66 Ų6677.8 Ų77.835%0.35342%0.416SS..Hα-helixtrans-58.7-41.8178.3-159.934.7000111.4L283 K289 A290 R351L283-D287 PolarHBondContact O-N 2.87Å; D287-K289 PolarHBondContact O-N 3.4Å; D287-K289 VanDerWaalsContact O-N 3.07Å; D287-A290 PolarHBondContact O-N 3.26Å; D287-R351 IonicContact OD2-NH1 3.48Å
288N58.9Low61.4Low136 Ų13682.8 Ų82.873%0.72745%0.451SS*.THydrogen-bonded Turntrans-63.5-14.1176.2-73.4-13.9000114.6S284 I286S284-N288 PolarHBondContact O-N 3.45Å; I286-N288 VanDerWaalsContact C-N 3.3Å; I286-N288 PolarHBondContact O-N 3.39Å
289K53.4Low58.5Low177 Ų17785.9 Ų85.977%0.7748%0.478SS*.THydrogen-bonded Turntrans-96.5-14.7174-72.9-174.8177.9-1780113.5I286 D287 S291I286-K289 PolarHBondContact O-N 2.88Å; D287-K289 PolarHBondContact O-N 3.4Å; D287-K289 VanDerWaalsContact O-N 3.07Å; K289-S291 VanDerWaalsContact C-N 3.34Å; K289-S291 PolarHBondContact O-N 3.5Å
290A52.2Low55.9Low53 Ų5390.9 Ų90.944%0.43851%0.506SS..  trans-89.818.1-16800000114.8I286 D287 V292I286-A290 PolarHBondContact O-N 3.46Å; D287-A290 PolarHBondContact O-N 3.26Å; A290-V292 PolarHBondContact O-N 3.27Å
291S44.4Very low53.2Low115 Ų11597 Ų9780%0.80454%0.543SS*.  trans-73.140.5174.6590000113.5K289K289-S291 VanDerWaalsContact C-N 3.34Å; K289-S291 PolarHBondContact O-N 3.5Å
292V40.3Very low50.6Low101 Ų101100.9 Ų100.961%0.61257%0.569SS**SBendtrans-118.6138.6175.5-178.80000108.4A290 R294A290-V292 PolarHBondContact O-N 3.27Å; V292-R294 PolarHBondContact O-N 3.27Å
293P38.2Very low47.9Very low126 Ų126103.1 Ų103.182%0.81859%0.592SS**PPolyproline II helixtrans-64.9133.1-168.1-17.330.4000112.9
294R42.9Very low45.2Very low137 Ų137109.8 Ų109.852%0.51763%0.627SS.*PPolyproline II helixtrans-72.7152.1174.9-66.1178.6-178.1165.81110.9V292V292-R294 PolarHBondContact O-N 3.27Å
295R34.5Very low42.6Very low166 Ų166118 Ų11863%0.62666%0.66SS**PPolyproline II helixtrans-85.5133.3179-131.8-175.8178138.81.5110.1
296S32.3Very low40.3Very low74 Ų74119.8 Ų119.852%0.51767%0.671SS.*PPolyproline II helixtrans-87.8126.6153.478.10000108.2S298S296-S298 PolarHBondContact O-N 3Å; S296-S298 PolarHBondContact OG-OG 3.33Å
297L32.6Very low38.2Very low133 Ų133124.9 Ų124.970%0.69670%0.699SS**  trans-86.167.1169.1-88.3139.8000108.7A299L297-A299 PolarHBondContact O-N 3.48Å; L297-A299 VanDerWaalsContact O-N 3.07Å
298S30.3Very low36.6Very low106 Ų106131.2 Ų131.274%0.74173%0.726SS**  trans-80.469.1159.841.70000109.3S296S296-S298 PolarHBondContact O-N 3Å; S296-S298 PolarHBondContact OG-OG 3.33Å
299A33.5Very low35.3Very low72 Ų72132.3 Ų132.360%0.59573%0.732SS**SBendtrans-153.1120155.400000106L297L297-A299 PolarHBondContact O-N 3.48Å; L297-A299 VanDerWaalsContact O-N 3.07Å
300V33.9Very low34.1Very low144 Ų144129.9 Ų129.987%0.87373%0.727SS**SBendtrans85.548.6-176.9-154.40000115.7
301V31.2Very low33.1Very low127 Ų127131.3 Ų131.377%0.7773%0.734SS**  trans-133.9111.7138.51780000106.4V303V301-V303 PolarHBondContact O-N 2.84Å
302S27.7Very low32.6Very low105 Ų105134.9 Ų134.973%0.73474%0.736SS**  trans-54.8112.7170.6-52.70000108N304S302-N304 PolarHBondContact O-N 3.38Å
303V30.5Very low32Very low136 Ų136138.1 Ų138.182%0.82474%0.744SS**  trans-65.790.1173179.30000107.1V301 K305V301-V303 PolarHBondContact O-N 2.84Å; V303-K305 PolarHBondContact O-N 3.37Å
304N29.7Very low31.5Very low140 Ų140134.3 Ų134.375%0.74972%0.72SS**  trans-66113157-80.6-9.3000106.1S302 L306S302-N304 PolarHBondContact O-N 3.38Å; N304-L306 PolarHBondContact O-N 3Å
305K25.7Very low31Very low198 Ų198131 Ų13186%0.86172%0.715SS**  trans-32.4117.2170.2-69.6171.9171.71790111.1V303V303-K305 PolarHBondContact O-N 3.37Å
306L30.5Very low30.8Very low161 Ų161125.4 Ų125.484%0.84370%0.702SS**  trans-134.4139.8161.9-78.1171.3000109.8N304N304-L306 PolarHBondContact O-N 3Å
307D30.4Very low30.9Very low150 Ų150127 Ų12780%0.80271%0.705SS**  trans-63.2153.4-157-64-53.8000116.7N309D307-N309 VanDerWaalsContact C-N 3.26Å; D307-N309 PolarHBondContact O-N 3.44Å
308E35.7Very low30.9Very low198 Ų198128 Ų12893%0.92571%0.706SS**THydrogen-bonded Turntrans-68.925.8-167.6-70.3-175.1139.700117.5
309N31.6Very low31.2Very low160 Ų160128.7 Ų128.786%0.85670%0.701SS**THydrogen-bonded Turntrans-120.516-172.6-89.7-10.7000117.4D307D307-N309 VanDerWaalsContact C-N 3.26Å; D307-N309 PolarHBondContact O-N 3.44Å
310D28.8Very low31.7Very low125 Ų125131.1 Ų131.167%0.66870%0.698SS**SBendtrans-103.9118.1168.8-100.9-39.6000112.5S314D310-S314 PolarHBondContact OD1-OG 3.37Å
311S29.5Very low32.3Very low83 Ų83128.8 Ų128.858%0.5868%0.68SS**  trans-53141176.854.50000112.6E313 S314S311-E313 PolarHBondContact O-N 3.5Å; S311-S314 PolarHBondContact O-N 2.98Å; S311-S314 PolarHBondContact O-OG 3.1Å
312F34.7Very low33.4Very low191 Ų191127.7 Ų127.784%0.83867%0.67SS**Hα-helixtrans-49.2-20.2-175.2-162.5-102.8000116
313E28.6Very low35.2Very low168 Ų168125.7 Ų125.779%0.78565%0.649SS**Hα-helixtrans-80.1-26.6176.5-83.6-177.4147.400114.6S311S311-E313 PolarHBondContact O-N 3.5Å
314S27.5Very low37.2Very low46 Ų46121.9 Ų121.932%0.32262%0.624SS.*Hα-helixtrans-82.2-29176.556.10000112.5D310 S311D310-S314 PolarHBondContact OD1-OG 3.37Å; S311-S314 PolarHBondContact O-N 2.98Å; S311-S314 PolarHBondContact O-OG 3.1Å
315V30.8Very low39.7Very low68 Ų68116.2 Ų116.241%0.41260%0.595SS.*Hα-helixtrans-72.7-32.8176.7-175.10000112.3N317 N319V315-N317 VanDerWaalsContact C-N 3.33Å; V315-N317 PolarHBondContact O-N 2.99Å; V315-N319 PolarHBondContact O-N 3.45Å
316S31.2Very low42.5Very low49 Ų49107.6 Ų107.634%0.34356%0.559SS.*Hα-helixtrans-63.8-32.6177.3153.30000113.5K320S316-K320 WeakPolarHBondContact O-CG 3.26Å
317N34.6Very low44.9Very low108 Ų108103.5 Ų103.558%0.57854%0.541SS*.Hα-helixtrans-87.6-26.5-175.8-78.9-16.2000113.6V315V315-N317 VanDerWaalsContact C-N 3.33Å; V315-N317 PolarHBondContact O-N 2.99Å
318Q32.7Very low47Very low154 Ų154101.3 Ų101.372%0.7253%0.533SS*.Hα-helixtrans-78.8-38.2175.7-70.7-166.6-10.500112.5K320 L321Q318-K320 VanDerWaalsContact C-N 3.32Å; Q318-K320 PolarHBondContact O-N 2.82Å; Q318-L321 PolarHBondContact O-N 3.5Å
319N37.3Very low48.9Very low120 Ų120100.6 Ų100.664%0.64253%0.53SS*.Hα-helixtrans-72.9-20.8179.7-74.6-18.7000114.1V315 L321V315-N319 PolarHBondContact O-N 3.45Å; N319-L321 VanDerWaalsContact C-N 3.35Å
320K42Very low51.1Low122 Ų12294.5 Ų94.553%0.5350%0.5SS..G310 helixtrans-77.3-12.4177.3-91.2176.3179.5162.50114.9S316 Q318 N322S316-K320 WeakPolarHBondContact O-CG 3.26Å; Q318-K320 VanDerWaalsContact C-N 3.32Å; Q318-K320 PolarHBondContact O-N 2.82Å; K320-N322 VanDerWaalsContact C-N 3.31Å; K320-N322 PolarHBondContact O-N 2.85Å
321L48.5Very low53.2Low96 Ų9691 Ų9150%0.50349%0.488SS..G310 helixtrans-73-20.4-173.3-87.8151000113.9Q318 N319Q318-L321 PolarHBondContact O-N 3.5Å; N319-L321 VanDerWaalsContact C-N 3.35Å
322N54.3Low55.6Low104 Ų10492.3 Ų92.356%0.55650%0.497SS*.G310 helixtrans-116.115.6-173.1-673000114.3K320K320-N322 VanDerWaalsContact C-N 3.31Å; K320-N322 PolarHBondContact O-N 2.85Å
323E63.6Low58Low63 Ų6387.2 Ų87.229%0.29448%0.482SS..  trans-82.7124.2177.5-73.8-174.916100111.9C325E323-C325 PolarHBondContact O-N 3.42Å
324D73.4Confident60.9Low55 Ų5581.9 Ų81.929%0.29446%0.457SS..  trans-66.5121.2165.7-174.42.1000109.3C326D324-C326 PolarHBondContact O-N 3.33Å; D324-C326 WeakPolarHBondContact OD1-CB 3.41Å; D324-C326 PolarHBondContact OD1-N 2.89Å
325C82.5Confident64Low22 Ų2281.2 Ų81.215%0.14945%0.449CS..  trans-78.2-5.8179.466.60000113.8E323 C336E323-C325 PolarHBondContact O-N 3.42Å; C325-C336 HydrophobicContact CB-CB 4.2Å; C325-C336 WeakPolarHBondContact CB-SG 3.32Å; C325-C336 PolarHBondContact N-SG 3.41Å; C325-C336 WeakPolarHBondContact SG-CA 3.34Å; C325-C336 WeakPolarHBondContact SG-CB 3.31Å; C325-C336 CovalentContact SG-SG 2.04Å; C325-C336 PolarHBondContact SG-SG 3.48Å
326C84.6Confident66.9Low16 Ų1678.3 Ų78.311%0.10843%0.432CS..SBendtrans-89.9151.7177.4-73.70000113.5D324 C354D324-C326 PolarHBondContact O-N 3.33Å; D324-C326 WeakPolarHBondContact OD1-CB 3.41Å; D324-C326 PolarHBondContact OD1-N 2.89Å; C326-C354 WeakPolarHBondContact CA-SG 3.21Å; C326-C354 HydrophobicContact CB-CB 4.05Å; C326-C354 WeakPolarHBondContact CB-SG 3.38Å; C326-C354 VanDerWaalsContact SG-CA 3.5Å; C326-C354 WeakPolarHBondContact SG-CB 3.33Å; C326-C354 CovalentContact SG-SG 2.04Å; C326-C354 PolarHBondContact SG-SG 3.01Å
327T80.3Confident69.8Low75 Ų7576 Ų7646%0.4642%0.416SS..  trans-81.8154172.262.50000111.1Q329 S330 A331T327-Q329 PolarHBondContact O-N 3.29Å; T327-Q329 VanDerWaalsContact O-N 3.15Å; T327-S330 PolarHBondContact O-N 2.83Å; T327-S330 PolarHBondContact OG1-OG 3.07Å; T327-A331 PolarHBondContact O-N 2.85Å
328V74.6Confident72.5Confident105 Ų10571.8 Ų71.864%0.63639%0.394SS*.THydrogen-bonded Turntrans-54.4-37.6179.8-1780000112.8S330 A331V328-S330 PolarHBondContact O-N 2.9Å; V328-A331 PolarHBondContact O-N 3Å
329Q75.6Confident75.2Confident183 Ų18364.7 Ų64.786%0.85536%0.361SS*.THydrogen-bonded Turntrans-64.2-27.7179.7-67.7177.4-12.500112.6T327T327-Q329 PolarHBondContact O-N 3.29Å; T327-Q329 VanDerWaalsContact O-N 3.15Å
330S77.7Confident77.6Confident32 Ų3263 Ų6322%0.22435%0.351CS..THydrogen-bonded Turntrans-98.8-11.1-176.9-53.40000113.3T327 V328 S332 T333 H334T327-S330 PolarHBondContact O-N 2.83Å; T327-S330 PolarHBondContact OG1-OG 3.07Å; V328-S330 PolarHBondContact O-N 2.9Å; S330-S332 PolarHBondContact O-N 2.86Å; S330-T333 PolarHBondContact O-N 2.63Å; S330-T333 PolarHBondContact O-OG1 2.99Å; S330-H334 WeakPolarHBondContact O-CB 3.3Å; S330-H334 PolarHBondContact O-N 3.3Å
331A73Confident79.4Confident51 Ų5157.6 Ų57.642%0.42133%0.328SS..THydrogen-bonded Turntrans-58.3-23.7-170.900000114.9T327 V328T327-A331 PolarHBondContact O-N 2.85Å; V328-A331 PolarHBondContact O-N 3Å
332S79.1Confident80.5Confident110 Ų11058.1 Ų58.177%0.76934%0.337SS*.THydrogen-bonded Turntrans-78-17.8178.761.10000114.4S330S330-S332 PolarHBondContact O-N 2.86Å
333T85.6Confident80.9Confident84 Ų8455.5 Ų55.552%0.51533%0.325SS..THydrogen-bonded Turntrans-130.7-23.8-173.552.60000113.7S330 A357S330-T333 PolarHBondContact O-N 2.63Å; S330-T333 PolarHBondContact O-OG1 2.99Å; T333-A357 PolarHBondContact O-N 3.1Å
334H91Very high80.6Confident56 Ų5660.3 Ų60.326%0.25935%0.345SS..EExtended strand (participates in β ladder)trans-110147.2-179.5-62.664.2000110.3S330 C354 L355S330-H334 WeakPolarHBondContact O-CB 3.3Å; S330-H334 PolarHBondContact O-N 3.3Å; H334-C354 VanDerWaalsContact CB-SG 3.52Å; H334-L355 CarbonylContact C-O 3.6Å; H334-L355 WeakPolarHBondContact CA-O 3.23Å; H334-L355 WeakPolarHBondContact CB-O 3.27Å
335L91.1Very high79.9Confident32 Ų3264.1 Ų64.117%0.16837%0.365CS..EExtended strand (participates in β ladder)trans-127.5154.9175.1-65.3173.3000109.7F337 L355 A357 L412 L428L335-F337 HydrophobicContact CB-CD2 4.42Å; L335-F337 HydrophobicContact CB-CE2 3.8Å; L335-F337 HydrophobicContact CB-CZ 4.33Å; L335-F337 WeakPolarHBondContact O-CD2 3.32Å; L335-F337 WeakPolarHBondContact O-CE2 3.32Å; L335-L355 PolarHBondContact N-O 3.49Å; L335-L355 PolarHBondContact O-N 2.71Å; L335-A357 HydrophobicContact CB-CB 4.37Å; L335-A357 HydrophobicContact CD1-CB 3.55Å; L335-A357 HydrophobicContact CG-CB 3.77Å; L335-L412 HydrophobicContact CD1-CD1 3.83Å; L335-L412 HydrophobicContact CD1-CD2 3.99Å; L335-L412 HydrophobicContact CD1-CG 4.47Å; L335-L428 HydrophobicContact CD1-CD1 4.44Å; L335-L428 HydrophobicContact CD2-CD2 3.55Å
336C91.4Very high78.5Confident7 Ų769.5 Ų69.55%0.04740%0.402CS..EExtended strand (participates in β ladder)trans-77.4126.1172.1-164.60000110.4C325 S404C325-C336 HydrophobicContact CB-CB 4.2Å; C325-C336 WeakPolarHBondContact CB-SG 3.32Å; C325-C336 PolarHBondContact N-SG 3.41Å; C325-C336 WeakPolarHBondContact SG-CA 3.34Å; C325-C336 WeakPolarHBondContact SG-CB 3.31Å; C325-C336 CovalentContact SG-SG 2.04Å; C325-C336 PolarHBondContact SG-SG 3.48Å; C336-S404 PolarHBondContact O-N 3.33Å
337F92.6Very high77.6Confident0 Ų071.8 Ų71.80%042%0.419CS..EExtended strand (participates in β ladder)trans-117.1142.9173.6-66.1-100.7000109.9Y276 L335 Y352 A353 L355 V360 V401 V402 P403 L412Y276-F337 HydrophobicContact CD2-CE1 4.3Å; L335-F337 HydrophobicContact CB-CD2 4.42Å; L335-F337 HydrophobicContact CB-CE2 3.8Å; L335-F337 HydrophobicContact CB-CZ 4.33Å; L335-F337 WeakPolarHBondContact O-CD2 3.32Å; L335-F337 WeakPolarHBondContact O-CE2 3.32Å; F337-Y352 CarbonylContact O-C 3.52Å; F337-Y352 VanDerWaalsContact O-CA 3.31Å; F337-Y352 WeakPolarHBondContact O-CA 3.47Å; F337-A353 PolarHBondContact N-O 2.99Å; F337-A353 PolarHBondContact O-N 3.3Å; F337-L355 HydrophobicContact CB-CD1 4.22Å; F337-L355 HydrophobicContact CD2-CB 3.75Å; F337-L355 HydrophobicContact CD2-CD1 4.08Å; F337-L355 HydrophobicContact CD2-CG 4.15Å; F337-L355 HydrophobicContact CE2-CB 3.98Å; F337-L355 HydrophobicContact CG-CD1 4.26Å; F337-V360 HydrophobicContact CD1-CG1 4.33Å; F337-V360 HydrophobicContact CE1-CG1 3.8Å; F337-V360 HydrophobicContact CE2-CG1 4.48Å; F337-V360 HydrophobicContact CZ-CB 4.17Å; F337-V360 HydrophobicContact CZ-CG1 3.9Å; F337-V401 HydrophobicContact CB-CB 3.98Å; F337-V401 HydrophobicContact CB-CG2 4.2Å; F337-V401 HydrophobicContact CD1-CB 4.33Å; F337-V401 HydrophobicContact CD1-CG2 3.82Å; F337-V401 HydrophobicContact CE1-CG2 4.48Å; F337-V401 HydrophobicContact CG-CB 4.44Å; F337-V401 HydrophobicContact CG-CG2 4.14Å; F337-V402 CarbonylContact C-O 3.54Å; F337-V402 VanDerWaalsContact CA-O 3.27Å; F337-V402 WeakPolarHBondContact CA-O 3.04Å; F337-P403 HydrophobicContact CD1-CB 4.43Å; F337-P403 HydrophobicContact CD1-CG 4.1Å; F337-P403 HydrophobicContact CE1-CB 4.31Å; F337-P403 HydrophobicContact CE1-CG 3.76Å; F337-L412 HydrophobicContact CE1-CD2 4.48Å; F337-L412 HydrophobicContact CZ-CD2 4.39Å
338T91Very high77.1Confident20 Ų2073.1 Ų73.112%0.12343%0.427CS..EExtended strand (participates in β ladder)trans-102.8145.3172.9-165.80000111.3R350 R351 V401 V402T338-R350 VanDerWaalsContact OG1-CD 3.28Å; T338-R350 WeakPolarHBondContact OG1-CD 3.27Å; T338-R350 WeakPolarHBondContact OG1-CG 3.22Å; T338-R351 CarbonylContact C-O 3.22Å; T338-R351 VanDerWaalsContact CA-O 3.27Å; T338-R351 WeakPolarHBondContact CA-O 3.43Å; T338-R351 PolarHBondContact OG1-O 3.49Å; T338-V401 WeakPolarHBondContact O-CA 3.05Å; T338-V402 HydrophobicContact CG2-CB 4.2Å; T338-V402 PolarHBondContact N-O 2.88Å; T338-V402 PolarHBondContact O-N 3.44Å
339Y90.5Very high77.2Confident6 Ų669.9 Ų69.92%0.02441%0.409CS..EExtended strand (participates in β ladder)trans-148.9154.3175.965.1-78000110.6L283 T341 R351 A353 V401L283-Y339 HydrophobicContact CD1-CD2 4.1Å; L283-Y339 HydrophobicContact CD1-CE2 4.06Å; L283-Y339 HydrophobicContact CD1-CG 4.39Å; L283-Y339 HydrophobicContact CD2-CE1 4.48Å; Y339-T341 HydrophobicContact CD2-CG2 3.71Å; Y339-T341 HydrophobicContact CE2-CG2 3.39Å; Y339-R351 HydrophobicContact CD1-CB 4.18Å; Y339-R351 HydrophobicContact CD2-CB 4.43Å; Y339-R351 HydrophobicContact CE1-CB 3.6Å; Y339-R351 HydrophobicContact CE2-CB 3.91Å; Y339-R351 VanDerWaalsContact CZ-CB 3.44Å; Y339-R351 PolarHBondContact N-O 3.05Å; Y339-R351 PolarHBondContact O-N 3.2Å; Y339-A353 HydrophobicContact CD1-CB 4.48Å; Y339-A353 HydrophobicContact CE1-CB 3.9Å; Y339-V401 HydrophobicContact CG-CG1 4.46Å
340I87Confident77.6Confident84 Ų8468.4 Ų68.443%0.43140%0.396SS..EExtended strand (participates in β ladder)trans-100.6130.2-178.4-61.8170.1000108.9T348I340-T348 HydrophobicContact CG2-CG2 3.79Å
341T80.5Confident78Confident9 Ų971.4 Ų71.46%0.05540%0.402CS..EExtended strand (participates in β ladder)trans-114.2134.2171.553.50000110.1Y339 T343 S349 R351Y339-T341 HydrophobicContact CD2-CG2 3.71Å; Y339-T341 HydrophobicContact CE2-CG2 3.39Å; T341-T343 PolarHBondContact O-N 3.19Å; T341-S349 PolarHBondContact N-O 2.9Å; T341-S349 PolarHBondContact O-N 3.32Å; T341-S349 VanDerWaalsContact O-N 3.1Å; T341-S349 PolarHBondContact OG1-O 3.4Å; T341-S349 PolarHBondContact OG1-OG 2.99Å; T341-R351 PolarHBondContact OG1-NE 2.86Å
342P71.3Confident78.7Confident107 Ų10771.3 Ų71.370%0.69539%0.391SS*.EExtended strand (participates in β ladder)trans-68129.5170.527.3-31000109.2
343T63.1Low79.2Confident49 Ų4966.6 Ų66.630%0.30136%0.359SS..  trans-101.4169.9173.178.80000111.2T341 L345 S347 S349T341-T343 PolarHBondContact O-N 3.19Å; T343-L345 VanDerWaalsContact C-N 3.31Å; T343-L345 CarbonylContact C-O 3.51Å; T343-L345 VanDerWaalsContact C-O 3.22Å; T343-L345 PolarHBondContact OG1-O 2.79Å; T343-S347 WeakPolarHBondContact CB-O 3.21Å; T343-S347 PolarHBondContact N-O 3.31Å; T343-S347 PolarHBondContact OG1-O 3.45Å; T343-S347 PolarHBondContact OG1-OG 3.15Å; T343-S347 VanDerWaalsContact OG1-OG 3.09Å; T343-S349 WeakPolarHBondContact CG2-OG 3.33Å
344K56.3Low79.4Confident164 Ų16464 Ų6471%0.71334%0.343SS*.SBendtrans-66.4-32.3-178-70.2-176.1177.3-177.50112.9L390K344-L390 VanDerWaalsContact CE-O 3.26Å; K344-L390 WeakPolarHBondContact CE-O 3.39Å
345L58.1Low79.5Confident134 Ų13461.3 Ų61.370%0.70233%0.331SS*.SBendtrans-79.7144.1162.9-120.167.3000105.9T343 S347T343-L345 VanDerWaalsContact C-N 3.31Å; T343-L345 CarbonylContact C-O 3.51Å; T343-L345 VanDerWaalsContact C-O 3.22Å; T343-L345 PolarHBondContact OG1-O 2.79Å; L345-S347 PolarHBondContact O-N 3.43Å
346S54.9Low79.5Confident135 Ų13561.1 Ų61.194%0.94433%0.332SS*.SBendtrans-56.413.1176.947.50000115.8
347S64.6Low79.5Confident64 Ų6461.3 Ų61.345%0.44833%0.334SS..PPolyproline II helixtrans-82.3133.2167.958.70000112T343 L345T343-S347 WeakPolarHBondContact CB-O 3.21Å; T343-S347 PolarHBondContact N-O 3.31Å; T343-S347 PolarHBondContact OG1-O 3.45Å; T343-S347 PolarHBondContact OG1-OG 3.15Å; T343-S347 VanDerWaalsContact OG1-OG 3.09Å; L345-S347 PolarHBondContact O-N 3.43Å
348T69Low79.4Confident103 Ų10365.5 Ų65.563%0.63235%0.349SS*.EExtended strand (participates in β ladder)trans-82.5124.1167.648.90000109.6I340I340-T348 HydrophobicContact CG2-CG2 3.79Å
349S78.5Confident79.4Confident37 Ų3766.8 Ų66.826%0.25936%0.363SS..EExtended strand (participates in β ladder)trans-97125.2172.975.10000110.6T341 T343T341-S349 PolarHBondContact N-O 2.9Å; T341-S349 PolarHBondContact O-N 3.32Å; T341-S349 VanDerWaalsContact O-N 3.1Å; T341-S349 PolarHBondContact OG1-O 3.4Å; T341-S349 PolarHBondContact OG1-OG 2.99Å; T343-S349 WeakPolarHBondContact CG2-OG 3.33Å
350R83.3Confident79.5Confident153 Ų15366.7 Ų66.758%0.57736%0.363SS*.EExtended strand (participates in β ladder)trans-78.8120.3172.2-173.3177.4-73.3-178.4-1.6108.4T338 Y352T338-R350 VanDerWaalsContact OG1-CD 3.28Å; T338-R350 WeakPolarHBondContact OG1-CD 3.27Å; T338-R350 WeakPolarHBondContact OG1-CG 3.22Å; R350-Y352 HydrophobicContact CG-CE2 4.34Å
351R85.8Confident79.7Confident94 Ų9462.8 Ų62.836%0.35534%0.342SS..EExtended strand (participates in β ladder)trans-112.1159.9176.5-67.3-168.8-178.2-165.7-1110.1D287 T338 Y339 T341D287-R351 IonicContact OD2-NH1 3.48Å; T338-R351 CarbonylContact C-O 3.22Å; T338-R351 VanDerWaalsContact CA-O 3.27Å; T338-R351 WeakPolarHBondContact CA-O 3.43Å; T338-R351 PolarHBondContact OG1-O 3.49Å; Y339-R351 HydrophobicContact CD1-CB 4.18Å; Y339-R351 HydrophobicContact CD2-CB 4.43Å; Y339-R351 HydrophobicContact CE1-CB 3.6Å; Y339-R351 HydrophobicContact CE2-CB 3.91Å; Y339-R351 VanDerWaalsContact CZ-CB 3.44Å; Y339-R351 PolarHBondContact N-O 3.05Å; Y339-R351 PolarHBondContact O-N 3.2Å; T341-R351 PolarHBondContact OG1-NE 2.86Å
352Y88.4Confident80.2Confident49 Ų4967.8 Ų67.819%0.19237%0.365CS..EExtended strand (participates in β ladder)trans-124.9137.2-179.6-63.6-91.9000109.1F337 R350F337-Y352 CarbonylContact O-C 3.52Å; F337-Y352 VanDerWaalsContact O-CA 3.31Å; F337-Y352 WeakPolarHBondContact O-CA 3.47Å; R350-Y352 HydrophobicContact CG-CE2 4.34Å
353A89.3Confident81.2Confident11 Ų1169.8 Ų69.89%0.09136%0.359CS..EExtended strand (participates in β ladder)trans-135133.5176.400000110.4L283 F337 Y339 L355L283-A353 HydrophobicContact CD2-CB 4.14Å; F337-A353 PolarHBondContact N-O 2.99Å; F337-A353 PolarHBondContact O-N 3.3Å; Y339-A353 HydrophobicContact CD1-CB 4.48Å; Y339-A353 HydrophobicContact CE1-CB 3.9Å; A353-L355 HydrophobicContact CB-CD1 4.33Å; A353-L355 HydrophobicContact CB-CD2 3.99Å; A353-L355 HydrophobicContact CB-CG 3.97Å; A353-L355 PolarHBondContact O-N 3.15Å
354C90.5Very high82.5Confident29 Ų2972 Ų7220%0.19637%0.373CS..EExtended strand (participates in β ladder)trans-83.1109.3171.5-177.10000108.8C326 H334C326-C354 WeakPolarHBondContact CA-SG 3.21Å; C326-C354 HydrophobicContact CB-CB 4.05Å; C326-C354 WeakPolarHBondContact CB-SG 3.38Å; C326-C354 VanDerWaalsContact SG-CA 3.5Å; C326-C354 WeakPolarHBondContact SG-CB 3.33Å; C326-C354 CovalentContact SG-SG 2.04Å; C326-C354 PolarHBondContact SG-SG 3.01Å; H334-C354 VanDerWaalsContact CB-SG 3.52Å
355L92.3Very high84.2Confident0 Ų066.7 Ų66.70%036%0.356CS..EExtended strand (participates in β ladder)trans-124.8149.3-172.9-55.5176.8000111.4Y282 L283 I286 H334 L335 F337 A353 A357 V360 V401Y282-L355 HydrophobicContact CE1-CD2 4.06Å; L283-L355 HydrophobicContact CD2-CD1 3.95Å; L283-L355 HydrophobicContact CD2-CD2 4.13Å; I286-L355 HydrophobicContact CD1-CD2 3.36Å; H334-L355 CarbonylContact C-O 3.6Å; H334-L355 WeakPolarHBondContact CA-O 3.23Å; H334-L355 WeakPolarHBondContact CB-O 3.27Å; L335-L355 PolarHBondContact N-O 3.49Å; L335-L355 PolarHBondContact O-N 2.71Å; F337-L355 HydrophobicContact CB-CD1 4.22Å; F337-L355 HydrophobicContact CD2-CB 3.75Å; F337-L355 HydrophobicContact CD2-CD1 4.08Å; F337-L355 HydrophobicContact CD2-CG 4.15Å; F337-L355 HydrophobicContact CE2-CB 3.98Å; F337-L355 HydrophobicContact CG-CD1 4.26Å; A353-L355 HydrophobicContact CB-CD1 4.33Å; A353-L355 HydrophobicContact CB-CD2 3.99Å; A353-L355 HydrophobicContact CB-CG 3.97Å; A353-L355 PolarHBondContact O-N 3.15Å; L355-A357 PolarHBondContact O-N 3.22Å; L355-A357 VanDerWaalsContact O-N 3.14Å; L355-V360 HydrophobicContact CB-CG2 3.7Å; L355-V360 HydrophobicContact CD1-CG2 3.99Å; L355-V360 HydrophobicContact CG-CG2 4.46Å; L355-V401 HydrophobicContact CD1-CB 4.47Å; L355-V401 HydrophobicContact CD1-CG1 4.37Å; L355-V401 HydrophobicContact CD1-CG2 4.06Å
356P92.1Very high85.9Confident29 Ų2960.4 Ų60.419%0.18832%0.323CS..EExtended strand (participates in β ladder)trans-63.9115.2175.725.4-33.8000110.4Y282 R358 A359 V360Y282-P356 WeakPolarHBondContact OH-CG 3.34Å; P356-R358 VanDerWaalsContact C-N 3.31Å; P356-R358 PolarHBondContact O-N 3.36Å; P356-A359 HydrophobicContact CB-CB 4.28Å; P356-A359 HydrophobicContact CG-CB 3.98Å; P356-A359 PolarHBondContact O-N 3.18Å; P356-V360 WeakPolarHBondContact O-CG2 3.5Å; P356-V360 PolarHBondContact O-N 2.8Å; P356-V360 VanDerWaalsContact O-N 3.15Å
357A91Very high87.6Confident10 Ų1059.5 Ų59.58%0.08331%0.308CS..Hα-helixtrans-57.9-43.4-170.200000112.4T333 L335 L355 T361 L426T333-A357 PolarHBondContact O-N 3.1Å; L335-A357 HydrophobicContact CB-CB 4.37Å; L335-A357 HydrophobicContact CD1-CB 3.55Å; L335-A357 HydrophobicContact CG-CB 3.77Å; L355-A357 PolarHBondContact O-N 3.22Å; L355-A357 VanDerWaalsContact O-N 3.14Å; A357-T361 WeakPolarHBondContact O-CB 3.37Å; A357-T361 WeakPolarHBondContact O-CG2 3.32Å; A357-T361 PolarHBondContact O-N 2.84Å; A357-T361 PolarHBondContact O-OG1 3.18Å; A357-L426 HydrophobicContact CB-CD1 4.42Å
358R90.4Very high88.7Confident88 Ų8860.1 Ų60.133%0.33231%0.308SS..Hα-helixtrans-66.5-47.4-179-175.8172-74.3178.6-6.3113P356 V360 T361 E362 L426P356-R358 VanDerWaalsContact C-N 3.31Å; P356-R358 PolarHBondContact O-N 3.36Å; R358-V360 VanDerWaalsContact C-N 3.25Å; R358-V360 PolarHBondContact O-N 3Å; R358-T361 WeakPolarHBondContact CA-OG1 3.41Å; R358-T361 PolarHBondContact O-N 2.89Å; R358-T361 PolarHBondContact O-OG1 3.43Å; R358-E362 WeakPolarHBondContact CG-OE1 3.44Å; R358-E362 WeakPolarHBondContact O-CG 3.36Å; R358-E362 PolarHBondContact O-N 2.79Å; R358-L426 HydrophobicContact CB-CD1 4.12Å
359A91.2Very high89.5Confident48 Ų4858 Ų5840%0.39730%0.296SS..Hα-helixtrans-67.5-29.8-177.200000112.4P356P356-A359 HydrophobicContact CB-CB 4.28Å; P356-A359 HydrophobicContact CG-CB 3.98Å; P356-A359 PolarHBondContact O-N 3.18Å
360V92.2Very high89.9Confident4 Ų460.8 Ų60.82%0.02432%0.315CS..Hα-helixtrans-76.7-46.6175.81740000111.3Y276 V278 F337 L355 P356 R358 E362 R363 V401Y276-V360 WeakPolarHBondContact CB-O 3.41Å; Y276-V360 HydrophobicContact CD2-CG1 4.1Å; Y276-V360 HydrophobicContact CG-CG1 4.12Å; V278-V360 HydrophobicContact CG2-CG1 4.14Å; V278-V360 HydrophobicContact CG2-CG2 4.34Å; F337-V360 HydrophobicContact CD1-CG1 4.33Å; F337-V360 HydrophobicContact CE1-CG1 3.8Å; F337-V360 HydrophobicContact CE2-CG1 4.48Å; F337-V360 HydrophobicContact CZ-CB 4.17Å; F337-V360 HydrophobicContact CZ-CG1 3.9Å; L355-V360 HydrophobicContact CB-CG2 3.7Å; L355-V360 HydrophobicContact CD1-CG2 3.99Å; L355-V360 HydrophobicContact CG-CG2 4.46Å; P356-V360 WeakPolarHBondContact O-CG2 3.5Å; P356-V360 PolarHBondContact O-N 2.8Å; P356-V360 VanDerWaalsContact O-N 3.15Å; R358-V360 VanDerWaalsContact C-N 3.25Å; R358-V360 PolarHBondContact O-N 3Å; V360-E362 PolarHBondContact O-N 3.38Å; V360-R363 VanDerWaalsContact O-CB 3.25Å; V360-R363 WeakPolarHBondContact O-CB 3.38Å; V360-R363 WeakPolarHBondContact O-CG 3.36Å; V360-R363 PolarHBondContact O-N 3.42Å; V360-V401 HydrophobicContact CG1-CG2 3.66Å
361T91.6Very high90Very high1 Ų157.8 Ų57.81%0.00631%0.31CS..Hα-helixtrans-68.7-17.2-177.752.40000114.3Y276 A357 R358 R363 L412 R414 L426Y276-T361 HydrophobicContact CD2-CG2 4.3Å; Y276-T361 HydrophobicContact CE1-CG2 4.39Å; Y276-T361 WeakPolarHBondContact CE1-O 3.11Å; Y276-T361 HydrophobicContact CE2-CG2 3.68Å; A357-T361 WeakPolarHBondContact O-CB 3.37Å; A357-T361 WeakPolarHBondContact O-CG2 3.32Å; A357-T361 PolarHBondContact O-N 2.84Å; A357-T361 PolarHBondContact O-OG1 3.18Å; R358-T361 WeakPolarHBondContact CA-OG1 3.41Å; R358-T361 PolarHBondContact O-N 2.89Å; R358-T361 PolarHBondContact O-OG1 3.43Å; T361-R363 VanDerWaalsContact C-N 3.31Å; T361-L412 HydrophobicContact CG2-CD2 3.69Å; T361-R414 PolarHBondContact O-NH1 2.84Å; T361-L426 HydrophobicContact CG2-CD2 3.97Å
362E90.9Very high90.1Very high114 Ų11454.2 Ų54.253%0.53330%0.3SS..THydrogen-bonded Turntrans-77.5-12.9171.4-76.2174.1-174.100113.5R358 V360R358-E362 WeakPolarHBondContact CG-OE1 3.44Å; R358-E362 WeakPolarHBondContact O-CG 3.36Å; R358-E362 PolarHBondContact O-N 2.79Å; V360-E362 PolarHBondContact O-N 3.38Å
363R91.4Very high89.9Confident150 Ų15053.7 Ų53.757%0.56631%0.309SS*.SBendtrans-76.3172.3176.1-58.2-68-179.9137.8-2.9111.7C277 V360 T361 S365C277-R363 WeakPolarHBondContact O-CB 3.5Å; V360-R363 VanDerWaalsContact O-CB 3.25Å; V360-R363 WeakPolarHBondContact O-CB 3.38Å; V360-R363 WeakPolarHBondContact O-CG 3.36Å; V360-R363 PolarHBondContact O-N 3.42Å; T361-R363 VanDerWaalsContact C-N 3.31Å; R363-S365 PolarHBondContact O-N 2.88Å
364T91.2Very high89Confident96 Ų9659.1 Ų59.159%0.58934%0.337SS*.PPolyproline II helixtrans-61.4134.3174.249.90000110.5Y276 C277Y276-T364 WeakPolarHBondContact CA-O 3.49Å; C277-T364 WeakPolarHBondContact CB-OG1 3.38Å; C277-T364 PolarHBondContact N-O 2.93Å; C277-T364 PolarHBondContact SG-OG1 3.12Å
365S92.1Very high87.3Confident51 Ų5163.9 Ų63.936%0.35736%0.36SS..EExtended strand (participates in β ladder)trans-71.9151.4175.758.30000111.6S253 G275 R363S253-S365 VanDerWaalsContact OG-CB 3.24Å; S253-S365 WeakPolarHBondContact OG-CB 3.33Å; S253-S365 PolarHBondContact OG-OG 2.9Å; G275-S365 CarbonylContact O-C 3.6Å; G275-S365 WeakPolarHBondContact O-CA 3.32Å; R363-S365 PolarHBondContact O-N 2.88Å
366C93.2Very high85Confident3 Ų367.4 Ų67.42%0.0240%0.396CS..EExtended strand (participates in β ladder)trans-147.6152.2175.754.10000110.4G275 Y276 D371 C372 C400G275-C366 CarbonylContact C-O 3.55Å; G275-C366 WeakPolarHBondContact CA-O 3.27Å; G275-C366 PolarHBondContact N-O 3.26Å; G275-C366 PolarHBondContact O-N 2.93Å; Y276-C366 PolarHBondContact N-SG 2.89Å; C366-D371 HydrophobicContact CB-CB 3.77Å; C366-C372 VanDerWaalsContact SG-SG 3.62Å; C366-C400 VanDerWaalsContact C-SG 3.51Å; C366-C400 HydrophobicContact CB-CB 3.85Å; C366-C400 WeakPolarHBondContact CB-SG 3.35Å; C366-C400 PolarHBondContact O-SG 3.47Å; C366-C400 VanDerWaalsContact O-SG 3.37Å; C366-C400 WeakPolarHBondContact SG-CA 3.27Å; C366-C400 WeakPolarHBondContact SG-CB 3.32Å; C366-C400 CovalentContact SG-SG 2.03Å; C366-C400 PolarHBondContact SG-SG 3.39Å
367N90.3Very high82.6Confident115 Ų11570.6 Ų70.662%0.61542%0.424SS*.SBendtrans-102.6-33.7167.7-68.9-18.1000110.2D371N367-D371 PolarHBondContact N-OD2 3.21Å
368V88Confident80.1Confident77 Ų7777.2 Ų77.247%0.46746%0.457SS..SBendtrans-132.9159178.4-68.80000111S370 D371V368-S370 WeakPolarHBondContact CG2-OG 3.38Å; V368-S370 PolarHBondContact O-N 3.38Å; V368-S370 VanDerWaalsContact O-N 3.16Å; V368-D371 VanDerWaalsContact CG2-OD1 3.3Å; V368-D371 WeakPolarHBondContact CG2-OD1 3.16Å; V368-D371 WeakPolarHBondContact CG2-OD2 3.4Å; V368-D371 PolarHBondContact N-OD2 3.32Å; V368-D371 WeakPolarHBondContact O-CB 3.3Å; V368-D371 PolarHBondContact O-N 3.27Å
369T86.1Confident77.3Confident59 Ų5985.2 Ų85.236%0.36249%0.487SS..G310 helixtrans-58.2-29.4-178.8-60.80000113.5D371 C372 M398T369-D371 VanDerWaalsContact C-N 3.26Å; T369-D371 PolarHBondContact O-N 3.18Å; T369-C372 PolarHBondContact O-N 2.84Å; T369-M398 WeakPolarHBondContact CG2-O 3.19Å
370S85.5Confident74.4Confident96 Ų9686.2 Ų86.267%0.67150%0.502SS*.G310 helixtrans-65-26.1176.949.60000113.8V368 C372 G373V368-S370 WeakPolarHBondContact CG2-OG 3.38Å; V368-S370 PolarHBondContact O-N 3.38Å; V368-S370 VanDerWaalsContact O-N 3.16Å; S370-C372 PolarHBondContact O-N 2.99Å; S370-G373 PolarHBondContact O-N 3.36Å
371D87.2Confident71.5Confident89 Ų8993.2 Ų93.248%0.47654%0.539SS..G310 helixtrans-66.6-24.5-179-57.6-22000111.9C366 N367 V368 T369 G373C366-D371 HydrophobicContact CB-CB 3.77Å; N367-D371 PolarHBondContact N-OD2 3.21Å; V368-D371 VanDerWaalsContact CG2-OD1 3.3Å; V368-D371 WeakPolarHBondContact CG2-OD1 3.16Å; V368-D371 WeakPolarHBondContact CG2-OD2 3.4Å; V368-D371 PolarHBondContact N-OD2 3.32Å; V368-D371 WeakPolarHBondContact O-CB 3.3Å; V368-D371 PolarHBondContact O-N 3.27Å; T369-D371 VanDerWaalsContact C-N 3.26Å; T369-D371 PolarHBondContact O-N 3.18Å; D371-G373 VanDerWaalsContact C-N 3.28Å; D371-G373 PolarHBondContact O-N 3.4Å
372C87.9Confident68.6Low19 Ų1999.8 Ų99.813%0.12857%0.574CS.*G310 helixtrans-78.8-10.4-176.9-62.30000114.4C277 C366 T369 S370 M398C277-C372 WeakPolarHBondContact CA-SG 3.28Å; C277-C372 HydrophobicContact CB-CB 3.62Å; C277-C372 WeakPolarHBondContact CB-SG 3.38Å; C277-C372 WeakPolarHBondContact SG-CA 3.4Å; C277-C372 WeakPolarHBondContact SG-CB 3.34Å; C277-C372 CovalentContact SG-SG 2.03Å; C277-C372 PolarHBondContact SG-SG 3.1Å; C366-C372 VanDerWaalsContact SG-SG 3.62Å; T369-C372 PolarHBondContact O-N 2.84Å; S370-C372 PolarHBondContact O-N 2.99Å; C372-M398 HydrophobicContact CB-CB 3.53Å; C372-M398 HydrophobicContact CB-CG 4.46Å
373G82.7Confident65.7Low38 Ų38101.7 Ų101.739%0.39259%0.588SS.*  trans62.8166.6-175.100000113.9S370 D371 M398S370-G373 PolarHBondContact O-N 3.36Å; D371-G373 VanDerWaalsContact C-N 3.28Å; D371-G373 PolarHBondContact O-N 3.4Å; G373-M398 WeakPolarHBondContact O-CB 3.41Å
374N70.3Confident62.8Low125 Ų12598.4 Ų98.467%0.66860%0.601SS**BIsolated β-bridgetrans-95136.1167.4-81.6-25.2000108.6G376N374-G376 PolarHBondContact O-N 3.48Å
375L55.9Low60Low130 Ų130100.5 Ų100.568%0.68161%0.607SS**THydrogen-bonded Turntrans-62.79.5176.8-15381.9000113.7
376G44.8Very low56.9Low73 Ų73107.4 Ų107.475%0.75363%0.634SS**THydrogen-bonded Turntrans-970.4-176.900000116.5N374N374-G376 PolarHBondContact O-N 3.48Å
377A41.4Very low53.9Low96 Ų96111.7 Ų111.779%0.79366%0.664SS**  trans-957.117900000114.6R379A377-R379 PolarHBondContact O-N 3.48Å
378I37.7Very low51.1Low149 Ų149115.1 Ų115.176%0.76468%0.676SS**SBendtrans-8595.1168.8-57.3-179000108G380I378-G380 PolarHBondContact O-N 2.9Å
379R31.2Very low48.5Very low257 Ų257115 Ų11597%0.9768%0.679SS**  trans-7.386.1162.6-150.1179.1-163.3-161.54.4114.5A377A377-R379 PolarHBondContact O-N 3.48Å
380G31.4Very low46.2Very low68 Ų68118.4 Ų118.470%0.70169%0.694SS**  trans-144.886.8176.800000109.9I378I378-G380 PolarHBondContact O-N 2.9Å
381N30.1Very low44.1Very low151 Ų151116.4 Ų116.481%0.80769%0.688SS**  trans31120.4155.6-138.415.7000119.4N383N381-N383 PolarHBondContact O-N 3.03Å
382N32.1Very low42.1Very low140 Ų140117.4 Ų117.475%0.74970%0.698SS**  trans3105.4154-72.3-11.8000115.6
383N29.4Very low40.1Very low153 Ų153118.3 Ų118.382%0.81870%0.7SS**  trans-170.5103.3130.9-87.5-17.6000108N381 I385N381-N383 PolarHBondContact O-N 3.03Å; N383-I385 PolarHBondContact O-N 2.81Å; N383-I385 VanDerWaalsContact O-N 3.12Å
384G30.7Very low38.7Very low82 Ų82119.1 Ų119.185%0.84570%0.7SS**  trans-59.6113.717200000109.6
385I31.6Very low38Very low140 Ų140117.3 Ų117.372%0.71869%0.694SS**  trans-125.294.1155.4-60.1179.3000105.2N383 S387N383-I385 PolarHBondContact O-N 2.81Å; N383-I385 VanDerWaalsContact O-N 3.12Å; I385-S387 WeakPolarHBondContact CG2-OG 3.44Å; I385-S387 PolarHBondContact O-N 3.14Å
386Q27.7Very low38.3Very low195 Ų195120.5 Ų120.591%0.91170%0.697SS**  trans-61.2110.4155.8-68.5175.25.300106.1
387S30.7Very low40.1Very low93 Ų93118.3 Ų118.365%0.6567%0.67SS**  trans-141.489.7165.9-76.40000107.3I385 S389I385-S387 WeakPolarHBondContact CG2-OG 3.44Å; I385-S387 PolarHBondContact O-N 3.14Å; S387-S389 VanDerWaalsContact C-N 3.25Å; S387-S389 PolarHBondContact O-N 3.01Å
388E30.4Very low42.4Very low187 Ų187115.3 Ų115.387%0.87464%0.64SS**  trans-59.182.8160.6-66.3171.2140.800109.2L390E388-L390 VanDerWaalsContact C-N 3.31Å; E388-L390 PolarHBondContact O-N 3.45Å
389S33.5Very low44.9Very low76 Ų76108.7 Ų108.753%0.53161%0.606SS.*  trans-89.377.2166.758.70000109.9S387 G391S387-S389 VanDerWaalsContact C-N 3.25Å; S387-S389 PolarHBondContact O-N 3.01Å; S389-G391 PolarHBondContact O-N 3.45Å
390L38.7Very low47.9Very low130 Ų13096.8 Ų96.868%0.68156%0.562SS**THydrogen-bonded Turntrans-65103.6176.9-141.982.1000110.5K344 E388K344-L390 VanDerWaalsContact CE-O 3.26Å; K344-L390 WeakPolarHBondContact CE-O 3.39Å; E388-L390 VanDerWaalsContact C-N 3.31Å; E388-L390 PolarHBondContact O-N 3.45Å
391G41.7Very low50.8Low53 Ų5393.5 Ų93.555%0.54653%0.528SS..THydrogen-bonded Turntrans116.6-4.5167.300000117.1S389S389-G391 PolarHBondContact O-N 3.45Å
392V44.4Very low53.8Low111 Ų11188.1 Ų88.167%0.67350%0.501SS*.SBendtrans-98.8134.7164179.20000106.2S394V392-S394 PolarHBondContact O-N 3.34Å
393M46.8Very low56.7Low37 Ų3782.5 Ų82.518%0.18247%0.472CS..  trans-49.6106171.8-75.2177.474.100107.9G280 L283 T395G280-M393 WeakPolarHBondContact O-CE 3.31Å; L283-M393 HydrophobicContact CB-CE 3.48Å; L283-M393 VanDerWaalsContact CB-CE 3.48Å; M393-T395 PolarHBondContact O-N 3.48Å
394S52.3Low59.5Low56 Ų5676.6 Ų76.639%0.39244%0.442SS..  trans-63.4111177.7-176.30000105.7V392 R396 S397V392-S394 PolarHBondContact O-N 3.34Å; S394-R396 PolarHBondContact O-N 3.48Å; S394-S397 PolarHBondContact O-N 2.87Å; S394-S397 PolarHBondContact O-OG 2.87Å
395T55.1Low62.1Low86 Ų8674.5 Ų74.553%0.52841%0.414SS..THydrogen-bonded Turntrans-58-15.5-174.1520000112.2A281 M393A281-T395 WeakPolarHBondContact CB-O 3.22Å; A281-T395 PolarHBondContact N-O 2.99Å; M393-T395 PolarHBondContact O-N 3.48Å
396R63.6Low64.5Low198 Ų19870.3 Ų70.375%0.74740%0.396SS*.THydrogen-bonded Turntrans-96-8.3178.8-62.2-177.2176.8176.2-1.3115.3S394S394-R396 PolarHBondContact O-N 3.48Å
397S82.3Confident67.2Low27 Ų2765.3 Ų65.319%0.18938%0.375CS..BIsolated β-bridgetrans-84.8137.2-179.658.90000111.6G280 S394 H399G280-S397 PolarHBondContact N-O 3.2Å; S394-S397 PolarHBondContact O-N 2.87Å; S394-S397 PolarHBondContact O-OG 2.87Å; S397-H399 PolarHBondContact OG-CE1 3.49Å
398M88.7Confident69.7Low32 Ų3267.7 Ų67.716%0.15838%0.381CS..EExtended strand (participates in β ladder)trans-87.9142.3171.8-62.7-69.5-72.500109.2C277 T369 C372 G373C277-M398 HydrophobicContact CB-CE 3.78Å; T369-M398 WeakPolarHBondContact CG2-O 3.19Å; C372-M398 HydrophobicContact CB-CB 3.53Å; C372-M398 HydrophobicContact CB-CG 4.46Å; G373-M398 WeakPolarHBondContact O-CB 3.41Å
399H90.8Very high72.4Confident11 Ų1161.3 Ų61.35%0.05136%0.357CS..EExtended strand (participates in β ladder)trans-120.2143.6177.4-67.275.3000109.6C277 V278 L283 S397C277-H399 WeakPolarHBondContact CA-O 3.21Å; V278-H399 PolarHBondContact N-O 2.91Å; V278-H399 PolarHBondContact O-N 3.31Å; L283-H399 HydrophobicContact CD1-CB 3.87Å; S397-H399 PolarHBondContact OG-CE1 3.49Å
400C92.9Very high75.1Confident6 Ų658.7 Ų58.74%0.04134%0.338CS..EExtended strand (participates in β ladder)trans-85.8116.8169.4-170.20000109.4C366C366-C400 VanDerWaalsContact C-SG 3.51Å; C366-C400 HydrophobicContact CB-CB 3.85Å; C366-C400 WeakPolarHBondContact CB-SG 3.35Å; C366-C400 PolarHBondContact O-SG 3.47Å; C366-C400 VanDerWaalsContact O-SG 3.37Å; C366-C400 WeakPolarHBondContact SG-CA 3.27Å; C366-C400 WeakPolarHBondContact SG-CB 3.32Å; C366-C400 CovalentContact SG-SG 2.03Å; C366-C400 PolarHBondContact SG-SG 3.39Å
401V93.5Very high77.7Confident0 Ų054.6 Ų54.60%031%0.313CS..EExtended strand (participates in β ladder)trans-104.1126.1176.6-50.10000109.3G275 Y276 V278 L283 F337 T338 Y339 L355 V360G275-V401 CarbonylContact C-O 3.56Å; G275-V401 WeakPolarHBondContact CA-O 3.33Å; Y276-V401 PolarHBondContact N-O 2.68Å; Y276-V401 WeakPolarHBondContact O-CG2 3.37Å; Y276-V401 PolarHBondContact O-N 3.41Å; V278-V401 HydrophobicContact CB-CG1 4.07Å; V278-V401 HydrophobicContact CB-CG2 4.49Å; V278-V401 HydrophobicContact CG2-CG1 4.13Å; V278-V401 HydrophobicContact CG2-CG2 3.66Å; L283-V401 HydrophobicContact CD1-CG1 4.17Å; L283-V401 HydrophobicContact CD2-CG1 4.23Å; F337-V401 HydrophobicContact CB-CB 3.98Å; F337-V401 HydrophobicContact CB-CG2 4.2Å; F337-V401 HydrophobicContact CD1-CB 4.33Å; F337-V401 HydrophobicContact CD1-CG2 3.82Å; F337-V401 HydrophobicContact CE1-CG2 4.48Å; F337-V401 HydrophobicContact CG-CB 4.44Å; F337-V401 HydrophobicContact CG-CG2 4.14Å; T338-V401 WeakPolarHBondContact O-CA 3.05Å; Y339-V401 HydrophobicContact CG-CG1 4.46Å; L355-V401 HydrophobicContact CD1-CB 4.47Å; L355-V401 HydrophobicContact CD1-CG1 4.37Å; L355-V401 HydrophobicContact CD1-CG2 4.06Å; V360-V401 HydrophobicContact CG1-CG2 3.66Å
402V92.9Very high80.1Confident38 Ų3852.9 Ų52.923%0.2329%0.291CS..EExtended strand (participates in β ladder)trans-110.7134.5-176.6-176.80000109.1P273 F337 T338 S404P273-V402 HydrophobicContact CB-CG1 4.21Å; F337-V402 CarbonylContact C-O 3.54Å; F337-V402 VanDerWaalsContact CA-O 3.27Å; F337-V402 WeakPolarHBondContact CA-O 3.04Å; T338-V402 HydrophobicContact CG2-CB 4.2Å; T338-V402 PolarHBondContact N-O 2.88Å; T338-V402 PolarHBondContact O-N 3.44Å; V402-S404 PolarHBondContact O-N 3.26Å
403P92.7Very high82.5Confident22 Ų2247.6 Ų47.614%0.14326%0.259CS..EExtended strand (participates in β ladder)trans-55.1132.2175.1-22.732000111.3S274 F337 L412S274-P403 WeakPolarHBondContact O-CD 3.41Å; F337-P403 HydrophobicContact CD1-CB 4.43Å; F337-P403 HydrophobicContact CD1-CG 4.1Å; F337-P403 HydrophobicContact CE1-CB 4.31Å; F337-P403 HydrophobicContact CE1-CG 3.76Å; P403-L412 HydrophobicContact CB-CB 4.08Å; P403-L412 HydrophobicContact CB-CD2 4.16Å; P403-L412 HydrophobicContact CG-CB 3.98Å; P403-L412 HydrophobicContact CG-CD2 3.59Å; P403-L412 HydrophobicContact CG-CG 4.4Å
404S89.4Confident84.7Confident29 Ų2948.7 Ų48.720%0.20326%0.261CS..  trans-126.276.2178.2-174.50000109.1C336 V402C336-S404 PolarHBondContact O-N 3.33Å; V402-S404 PolarHBondContact O-N 3.26Å
405P85.1Confident86.7Confident38 Ų3846 Ų4625%0.24724%0.243CC..  trans-70.6160.9177.233.6-35.7000111.1D407 T410P405-D407 VanDerWaalsContact C-N 3.29Å; P405-D407 PolarHBondContact O-N 2.82Å; P405-T410 WeakPolarHBondContact CB-OG1 3.32Å; P405-T410 WeakPolarHBondContact CG-O 3.45Å; P405-T410 WeakPolarHBondContact CG-OG1 3.27Å
406P80.6Confident88.6Confident51 Ų5143.5 Ų43.533%0.33123%0.227SC..SBendtrans-67.9-27.6-175.326.3-34.7000113.4
407D84.5Confident90Very high91 Ų9134.8 Ų34.849%0.48720%0.195SC..SBendtrans-110.2139.8-176.5-63.8-37.4000112.1P405 S409 T410P405-D407 VanDerWaalsContact C-N 3.29Å; P405-D407 PolarHBondContact O-N 2.82Å; D407-S409 PolarHBondContact O-N 2.82Å; D407-T410 HydrophobicContact CB-CG2 4.03Å; D407-T410 PolarHBondContact O-N 3.41Å; D407-T410 PolarHBondContact O-OG1 3.1Å
408N83.8Confident90.5Very high143 Ų14337.6 Ų37.677%0.76521%0.208SC*.THydrogen-bonded Turntrans-67.8-16.1-179.9-77.8-18.5000114.9R411N408-R411 PolarHBondContact O-NH1 3.37Å; N408-R411 PolarHBondContact O-NH2 3.03Å; N408-R411 VanDerWaalsContact O-NH2 3.1Å
409S87.2Confident90.4Very high53 Ų5339.9 Ų39.937%0.37121%0.214SC..THydrogen-bonded Turntrans-86-24.5177.254.50000113.1D407D407-S409 PolarHBondContact O-N 2.82Å
410T90.9Very high90.1Very high21 Ų2147 Ų4713%0.12925%0.247CC..  trans-80134.8-173.959.40000111.3P405 D407P405-T410 WeakPolarHBondContact CB-OG1 3.32Å; P405-T410 WeakPolarHBondContact CG-O 3.45Å; P405-T410 WeakPolarHBondContact CG-OG1 3.27Å; D407-T410 HydrophobicContact CB-CG2 4.03Å; D407-T410 PolarHBondContact O-N 3.41Å; D407-T410 PolarHBondContact O-OG1 3.1Å
411R92.2Very high89.6Confident44 Ų4456 Ų5617%0.16629%0.286CS..EExtended strand (participates in β ladder)trans-130.4145.1177.9-66.9-68.6178.1-78.5-7.3110.1Y270 N408 V413 L428 G429 L431Y270-R411 HydrophobicContact CD2-CG 4.3Å; Y270-R411 PolarHBondContact O-NE 2.92Å; N408-R411 PolarHBondContact O-NH1 3.37Å; N408-R411 PolarHBondContact O-NH2 3.03Å; N408-R411 VanDerWaalsContact O-NH2 3.1Å; R411-V413 HydrophobicContact CB-CG2 4.48Å; R411-L428 WeakPolarHBondContact O-CA 3.44Å; R411-G429 PolarHBondContact N-O 2.85Å; R411-G429 PolarHBondContact O-N 2.94Å; R411-L431 HydrophobicContact CB-CD2 4.06Å; R411-L431 HydrophobicContact CB-CG 4.32Å; R411-L431 HydrophobicContact CG-CG 4.44Å
412L92.6Very high89.3Confident16 Ų1657.6 Ų57.68%0.08430%0.299CS..EExtended strand (participates in β ladder)trans-90.9116.9169.7-179.765.2000108.5L335 F337 T361 P403 L426 F427 L428L335-L412 HydrophobicContact CD1-CD1 3.83Å; L335-L412 HydrophobicContact CD1-CD2 3.99Å; L335-L412 HydrophobicContact CD1-CG 4.47Å; F337-L412 HydrophobicContact CE1-CD2 4.48Å; F337-L412 HydrophobicContact CZ-CD2 4.39Å; T361-L412 HydrophobicContact CG2-CD2 3.69Å; P403-L412 HydrophobicContact CB-CB 4.08Å; P403-L412 HydrophobicContact CB-CD2 4.16Å; P403-L412 HydrophobicContact CG-CB 3.98Å; P403-L412 HydrophobicContact CG-CD2 3.59Å; P403-L412 HydrophobicContact CG-CG 4.4Å; L412-L426 HydrophobicContact CD1-CB 4.46Å; L412-F427 WeakPolarHBondContact CA-O 3.13Å; L412-L428 HydrophobicContact CB-CD1 4.35Å
413V94.1Very high89.1Confident0 Ų058 Ų580%030%0.303CS..EExtended strand (participates in β ladder)trans-121.7130178.2178.70000110.1V251 L266 A269 R411 L415 F427 L431 L434V251-V413 HydrophobicContact CG1-CG1 3.69Å; L266-V413 HydrophobicContact CD2-CG1 4.39Å; A269-V413 HydrophobicContact CB-CG2 4.24Å; R411-V413 HydrophobicContact CB-CG2 4.48Å; V413-L415 HydrophobicContact CG1-CD2 3.73Å; V413-L415 HydrophobicContact CG1-CG 4.31Å; V413-F427 HydrophobicContact CB-CB 4.45Å; V413-F427 PolarHBondContact N-O 2.9Å; V413-F427 PolarHBondContact O-N 2.84Å; V413-L431 HydrophobicContact CG2-CD2 3.44Å; V413-L431 VanDerWaalsContact CG2-CD2 3.44Å; V413-L434 HydrophobicContact CB-CD2 4.48Å; V413-L434 HydrophobicContact CG1-CD2 4.31Å
414R93.3Very high89.1Confident60 Ų6057.9 Ų57.923%0.22630%0.303CS..EExtended strand (participates in β ladder)trans-100.6114.3174.6-178.8179.6175.7-158.3-6.5109.9V251 N252 T361 A424 I425 L426V251-R414 CarbonylContact C-O 3.49Å; V251-R414 WeakPolarHBondContact CA-O 3.46Å; N252-R414 PolarHBondContact N-O 3.5Å; N252-R414 WeakPolarHBondContact OD1-CB 3.4Å; N252-R414 PolarHBondContact OD1-N 2.89Å; T361-R414 PolarHBondContact O-NH1 2.84Å; R414-A424 HydrophobicContact CG-CB 3.69Å; R414-I425 CarbonylContact C-O 3.55Å; R414-I425 WeakPolarHBondContact CA-O 3.44Å; R414-L426 HydrophobicContact CB-CD2 3.84Å; R414-L426 HydrophobicContact CG-CD2 3.89Å
415L94.9Very high89.2Confident0 Ų057 Ų570%030%0.296CS..EExtended strand (participates in β ladder)trans-97.8116.7176.4-56.3-179.8000110.1L242 V251 W262 V413 A424 I425 L434 I438L242-L415 HydrophobicContact CD1-CD1 4.45Å; V251-L415 HydrophobicContact CG2-CD2 3.95Å; W262-L415 HydrophobicContact CH2-CD1 4.38Å; W262-L415 HydrophobicContact CH2-CD2 3.85Å; W262-L415 HydrophobicContact CZ3-CD2 3.72Å; V413-L415 HydrophobicContact CG1-CD2 3.73Å; V413-L415 HydrophobicContact CG1-CG 4.31Å; L415-A424 CarbonylContact O-C 3.57Å; L415-A424 WeakPolarHBondContact O-CA 3.3Å; L415-A424 WeakPolarHBondContact O-CB 3.38Å; L415-I425 HydrophobicContact CB-CB 4.3Å; L415-I425 PolarHBondContact N-O 3.33Å; L415-I425 PolarHBondContact O-N 3.14Å; L415-L434 HydrophobicContact CD1-CD1 4.15Å; L415-I438 HydrophobicContact CD1-CD1 3.94Å
416V94.2Very high89.5Confident34 Ų3457.2 Ų57.221%0.20630%0.295CS..EExtended strand (participates in β ladder)trans-98.3122.6176.2-1740000108.9T249 R250 A424T249-V416 PolarHBondContact N-O 2.87Å; T249-V416 PolarHBondContact OG1-O 3.35Å; R250-V416 HydrophobicContact CB-CB 3.94Å; R250-V416 HydrophobicContact CB-CG2 4.06Å; R250-V416 HydrophobicContact CG-CB 4.48Å; R250-V416 PolarHBondContact N-O 2.88Å; R250-V416 PolarHBondContact O-N 3.48Å; V416-A424 HydrophobicContact CG2-CB 4.16Å
417H93.5Very high90.1Very high15 Ų1555.2 Ų55.27%0.06928%0.281CS..EExtended strand (participates in β ladder)trans-117.3163.5179.759.866.7000112.3L242 A247 R419 P423L242-H417 HydrophobicContact CD2-CB 4.23Å; A247-H417 CarbonylContact O-C 3.46Å; A247-H417 WeakPolarHBondContact O-CA 3.39Å; A247-H417 WeakPolarHBondContact O-CB 3.3Å; H417-R419 VanDerWaalsContact C-N 3.32Å; H417-R419 VanDerWaalsContact ND1-CB 3.3Å; H417-R419 WeakPolarHBondContact ND1-CB 3.38Å; H417-R419 PolarHBondContact ND1-N 3.43Å; H417-R419 PolarHBondContact O-N 3.15Å; H417-P423 PolarHBondContact NE2-O 3.38Å
418N91.8Very high90.4Very high85 Ų8554.6 Ų54.646%0.45528%0.277SS..SBendtrans-74.7-11.2-175.768.8-23.6000115.4A247 T249 H420A247-N418 HydrophobicContact CB-CB 4.14Å; A247-N418 PolarHBondContact N-OD1 3.2Å; A247-N418 PolarHBondContact O-N 3.42Å; T249-N418 HydrophobicContact CG2-CB 4.36Å; N418-H420 PolarHBondContact O-N 3.26Å; N418-H420 VanDerWaalsContact O-N 3.14Å
419R88.5Confident90.8Very high80 Ų8048.1 Ų48.130%0.30225%0.245SC..  trans-58.1117.6-179.6-161.8-168-57.3158.9-1.2112.1G241 A243 D246 H417 K421 A422G241-R419 PolarHBondContact O-NH1 3.25Å; G241-R419 VanDerWaalsContact O-NH1 3.09Å; G241-R419 PolarHBondContact O-NH2 3.04Å; A243-R419 VanDerWaalsContact N-NH2 3.13Å; D246-R419 IonicContact OD1-NE 3.82Å; D246-R419 PolarHBondContact OD1-NE 2.97Å; D246-R419 IonicContact OD1-NH2 3.55Å; D246-R419 IonicContact OD2-CZ 3.76Å; D246-R419 IonicContact OD2-NE 3.73Å; D246-R419 IonicContact OD2-NH2 3.97Å; D246-R419 PolarHBondContact OD2-NH2 3.47Å; H417-R419 VanDerWaalsContact C-N 3.32Å; H417-R419 VanDerWaalsContact ND1-CB 3.3Å; H417-R419 WeakPolarHBondContact ND1-CB 3.38Å; H417-R419 PolarHBondContact ND1-N 3.43Å; H417-R419 PolarHBondContact O-N 3.15Å; R419-K421 PolarHBondContact O-N 3.42Å; R419-A422 HydrophobicContact CB-CB 4.15Å; R419-A422 HydrophobicContact CG-CB 4.18Å; R419-A422 PolarHBondContact O-N 2.99Å
420H83.6Confident91Very high160 Ų16047.3 Ų47.374%0.74124%0.238SC*.THydrogen-bonded Turntrans-59.3134.4-176.5-173.6-90.7000112.4N418 A422N418-H420 PolarHBondContact O-N 3.26Å; N418-H420 VanDerWaalsContact O-N 3.14Å; H420-A422 PolarHBondContact O-N 3.48Å; H420-A422 VanDerWaalsContact O-N 3.1Å
421K82.8Confident91.1Very high197 Ų19746.9 Ų46.986%0.85724%0.235SC*.THydrogen-bonded Turntrans61.63.3-179.1-73.1169.7174.8178.20116.6R419R419-K421 PolarHBondContact O-N 3.42Å
422A86.8Confident91.1Very high32 Ų3250.2 Ų50.226%0.26425%0.252SS..PPolyproline II helixtrans-91.3135.6176.700000110.5R419 H420R419-A422 HydrophobicContact CB-CB 4.15Å; R419-A422 HydrophobicContact CG-CB 4.18Å; R419-A422 PolarHBondContact O-N 2.99Å; H420-A422 PolarHBondContact O-N 3.48Å; H420-A422 VanDerWaalsContact O-N 3.1Å
423P89Confident91.1Very high48 Ų4852.8 Ų52.831%0.31227%0.266SS..PPolyproline II helixtrans-70.3156.4-178.730.8-35.5000110.8H417H417-P423 PolarHBondContact NE2-O 3.38Å
424A91.3Very high91.1Very high18 Ų1852.8 Ų52.815%0.14927%0.266CS..PPolyproline II helixtrans-58.4146.117200000111.2R414 L415 V416R414-A424 HydrophobicContact CG-CB 3.69Å; L415-A424 CarbonylContact O-C 3.57Å; L415-A424 WeakPolarHBondContact O-CA 3.3Å; L415-A424 WeakPolarHBondContact O-CB 3.38Å; V416-A424 HydrophobicContact CG2-CB 4.16Å
425I92.4Very high91.1Very high10 Ų1052.7 Ų52.75%0.05127%0.272CS..EExtended strand (participates in β ladder)trans-85.6132.6179.1-64.9166.6000108G241 L242 R414 L415G241-I425 VanDerWaalsContact C-CD1 3.44Å; L242-I425 HydrophobicContact CB-CD1 4.17Å; L242-I425 HydrophobicContact CD2-CD1 3.45Å; L242-I425 VanDerWaalsContact CD2-CD1 3.45Å; L242-I425 HydrophobicContact CG-CD1 3.38Å; L242-I425 VanDerWaalsContact N-CD1 3.26Å; R414-I425 CarbonylContact C-O 3.55Å; R414-I425 WeakPolarHBondContact CA-O 3.44Å; L415-I425 HydrophobicContact CB-CB 4.3Å; L415-I425 PolarHBondContact N-O 3.33Å; L415-I425 PolarHBondContact O-N 3.14Å
426L91.7Very high91Very high43 Ų4355.4 Ų55.423%0.22530%0.295CS..EExtended strand (participates in β ladder)trans-104.4115.8175.5-62.2176.3000107.5A357 R358 T361 L412 R414A357-L426 HydrophobicContact CB-CD1 4.42Å; R358-L426 HydrophobicContact CB-CD1 4.12Å; T361-L426 HydrophobicContact CG2-CD2 3.97Å; L412-L426 HydrophobicContact CD1-CB 4.46Å; R414-L426 HydrophobicContact CB-CD2 3.84Å; R414-L426 HydrophobicContact CG-CD2 3.89Å
427F92.5Very high91Very high9 Ų954 Ų544%0.03929%0.286CS..EExtended strand (participates in β ladder)trans-100.1131.2172.1175.8-97.5000108.8V235 V236 L412 V413 P430 L431 D433 L434V235-F427 HydrophobicContact CB-CD2 4.42Å; V235-F427 HydrophobicContact CG1-CD2 4.48Å; V236-F427 HydrophobicContact CG1-CD2 4.11Å; L412-F427 WeakPolarHBondContact CA-O 3.13Å; V413-F427 HydrophobicContact CB-CB 4.45Å; V413-F427 PolarHBondContact N-O 2.9Å; V413-F427 PolarHBondContact O-N 2.84Å; F427-P430 WeakPolarHBondContact CE1-O 3.08Å; F427-P430 VanDerWaalsContact CZ-O 3.28Å; F427-P430 WeakPolarHBondContact CZ-O 3.49Å; F427-L431 HydrophobicContact CE1-CD2 4.45Å; F427-D433 HydrophobicContact CZ-CB 4.38Å; F427-L434 HydrophobicContact CB-CD1 4.3Å; F427-L434 HydrophobicContact CB-CD2 4.49Å; F427-L434 HydrophobicContact CD1-CB 4.08Å; F427-L434 HydrophobicContact CD1-CD1 4.26Å; F427-L434 HydrophobicContact CD1-CD2 3.88Å; F427-L434 HydrophobicContact CD1-CG 4.31Å; F427-L434 HydrophobicContact CD2-CD1 3.8Å; F427-L434 HydrophobicContact CE1-CB 3.72Å; F427-L434 HydrophobicContact CE1-CD2 4.34Å; F427-L434 HydrophobicContact CE1-CG 4.44Å; F427-L434 HydrophobicContact CE2-CB 4.18Å; F427-L434 HydrophobicContact CE2-CD1 4.16Å; F427-L434 HydrophobicContact CG-CB 4.45Å; F427-L434 HydrophobicContact CG-CD1 3.85Å; F427-L434 HydrophobicContact CG-CD2 4.16Å; F427-L434 HydrophobicContact CG-CG 4.38Å; F427-L434 HydrophobicContact CZ-CB 3.77Å
428L91.1Very high91.1Very high78 Ų7853.6 Ų53.641%0.40829%0.285SS..EExtended strand (participates in β ladder)trans-125.4113.7172.3-179.873.9000108L335 R411 L412L335-L428 HydrophobicContact CD1-CD1 4.44Å; L335-L428 HydrophobicContact CD2-CD2 3.55Å; R411-L428 WeakPolarHBondContact O-CA 3.44Å; L412-L428 HydrophobicContact CB-CD1 4.35Å
429G91.9Very high91.2Very high8 Ų850.4 Ų50.48%0.08227%0.272CS..EExtended strand (participates in β ladder)trans162.3-173.9179.900000112.8R411R411-G429 PolarHBondContact N-O 2.85Å; R411-G429 PolarHBondContact O-N 2.94Å
430P92.8Very high91.5Very high36 Ų3647.2 Ų47.223%0.23426%0.261CS..  trans-63139.1170.7-16.331000110.8F427 E432 D433F427-P430 WeakPolarHBondContact CE1-O 3.08Å; F427-P430 VanDerWaalsContact CZ-O 3.28Å; F427-P430 WeakPolarHBondContact CZ-O 3.49Å; P430-E432 VanDerWaalsContact C-N 3.25Å; P430-E432 WeakPolarHBondContact CB-OE2 3.29Å; P430-E432 PolarHBondContact O-N 2.99Å; P430-D433 PolarHBondContact O-N 3.48Å
431L92.5Very high92.1Very high12 Ų1240.3 Ų40.36%0.06323%0.231CC..Hα-helixtrans-72.8-22.3-177.6-64.2-172.4000112.8L266 Y270 R411 V413 F427 D433 L434 V435L266-L431 WeakPolarHBondContact O-CD1 3.27Å; Y270-L431 HydrophobicContact CD2-CD1 3.94Å; Y270-L431 HydrophobicContact CD2-CG 4.33Å; Y270-L431 HydrophobicContact CG-CD1 4.21Å; R411-L431 HydrophobicContact CB-CD2 4.06Å; R411-L431 HydrophobicContact CB-CG 4.32Å; R411-L431 HydrophobicContact CG-CG 4.44Å; V413-L431 HydrophobicContact CG2-CD2 3.44Å; V413-L431 VanDerWaalsContact CG2-CD2 3.44Å; F427-L431 HydrophobicContact CE1-CD2 4.45Å; L431-D433 VanDerWaalsContact C-N 3.26Å; L431-D433 PolarHBondContact O-N 2.93Å; L431-L434 HydrophobicContact CD2-CD2 4.44Å; L431-L434 WeakPolarHBondContact O-CB 3.22Å; L431-L434 PolarHBondContact O-N 3.48Å; L431-L434 VanDerWaalsContact O-N 3.12Å; L431-V435 WeakPolarHBondContact O-CG2 3.46Å; L431-V435 PolarHBondContact O-N 3.13Å
432E92.1Very high92.7Very high113 Ų11333.1 Ų33.153%0.52820%0.202SC..Hα-helixtrans-61.3-40.5174.5-5278-171.100110.1P430 L434 V435 A436P430-E432 VanDerWaalsContact C-N 3.25Å; P430-E432 WeakPolarHBondContact CB-OE2 3.29Å; P430-E432 PolarHBondContact O-N 2.99Å; E432-L434 VanDerWaalsContact C-N 3.33Å; E432-L434 PolarHBondContact O-N 2.03Å; E432-V435 PolarHBondContact O-N 3.11Å; E432-A436 VanDerWaalsContact O-CB 3.32Å; E432-A436 WeakPolarHBondContact O-CB 3.49Å; E432-A436 PolarHBondContact O-N 2.98Å
433D92.3Very high93.1Very high71 Ų7133.3 Ų33.338%0.3820%0.196SC..Hα-helixtrans-66-36.2174.6-78.7-36.7000111.9R231 F427 P430 L431 S437R231-D433 IonicContact NH2-OD1 3.89Å; F427-D433 HydrophobicContact CZ-CB 4.38Å; P430-D433 PolarHBondContact O-N 3.48Å; L431-D433 VanDerWaalsContact C-N 3.26Å; L431-D433 PolarHBondContact O-N 2.93Å; D433-S437 WeakPolarHBondContact O-CB 3.48Å; D433-S437 PolarHBondContact O-N 3.48Å; D433-S437 PolarHBondContact O-OG 3.35Å
434L93.6Very high93.4Very high0 Ų031.3 Ų31.30%018%0.182CC..Hα-helixtrans-66.3-47.8177.3-176.159.9000111.3V236 L266 V413 L415 F427 L431 E432 A436 S437 I438V236-L434 HydrophobicContact CG1-CD1 3.63Å; L266-L434 HydrophobicContact CD2-CD2 3.76Å; V413-L434 HydrophobicContact CB-CD2 4.48Å; V413-L434 HydrophobicContact CG1-CD2 4.31Å; L415-L434 HydrophobicContact CD1-CD1 4.15Å; F427-L434 HydrophobicContact CB-CD1 4.3Å; F427-L434 HydrophobicContact CB-CD2 4.49Å; F427-L434 HydrophobicContact CD1-CB 4.08Å; F427-L434 HydrophobicContact CD1-CD1 4.26Å; F427-L434 HydrophobicContact CD1-CD2 3.88Å; F427-L434 HydrophobicContact CD1-CG 4.31Å; F427-L434 HydrophobicContact CD2-CD1 3.8Å; F427-L434 HydrophobicContact CE1-CB 3.72Å; F427-L434 HydrophobicContact CE1-CD2 4.34Å; F427-L434 HydrophobicContact CE1-CG 4.44Å; F427-L434 HydrophobicContact CE2-CB 4.18Å; F427-L434 HydrophobicContact CE2-CD1 4.16Å; F427-L434 HydrophobicContact CG-CB 4.45Å; F427-L434 HydrophobicContact CG-CD1 3.85Å; F427-L434 HydrophobicContact CG-CD2 4.16Å; F427-L434 HydrophobicContact CG-CG 4.38Å; F427-L434 HydrophobicContact CZ-CB 3.77Å; L431-L434 HydrophobicContact CD2-CD2 4.44Å; L431-L434 WeakPolarHBondContact O-CB 3.22Å; L431-L434 PolarHBondContact O-N 3.48Å; L431-L434 VanDerWaalsContact O-N 3.12Å; E432-L434 VanDerWaalsContact C-N 3.33Å; E432-L434 PolarHBondContact O-N 2.03Å; L434-A436 VanDerWaalsContact C-N 3.34Å; L434-A436 PolarHBondContact O-N 2.99Å; L434-S437 PolarHBondContact O-N 3.3Å; L434-S437 VanDerWaalsContact O-N 3.12Å; L434-I438 HydrophobicContact CD1-CD1 3.54Å; L434-I438 HydrophobicContact CD1-CG1 4.29Å; L434-I438 HydrophobicContact CG-CD1 4.29Å; L434-I438 PolarHBondContact O-N 3.11Å
435V94.1Very high93.6Very high58 Ų5830.7 Ų30.735%0.35218%0.177SC..Hα-helixtrans-62.3-41.3177.6173.40000111.1F263 L266 L431 E432 S437F263-V435 HydrophobicContact CE1-CG1 4.04Å; L266-V435 HydrophobicContact CD1-CG2 3.63Å; L431-V435 WeakPolarHBondContact O-CG2 3.46Å; L431-V435 PolarHBondContact O-N 3.13Å; E432-V435 PolarHBondContact O-N 3.11Å; V435-S437 VanDerWaalsContact C-N 3.26Å; V435-S437 PolarHBondContact O-N 3.27Å
436A93Very high93.7Very high57 Ų5735.1 Ų35.147%0.47119%0.193SC..Hα-helixtrans-69.9-22.817600000113.3E432 L434E432-A436 VanDerWaalsContact O-CB 3.32Å; E432-A436 WeakPolarHBondContact O-CB 3.49Å; E432-A436 PolarHBondContact O-N 2.98Å; L434-A436 VanDerWaalsContact C-N 3.34Å; L434-A436 PolarHBondContact O-N 2.99Å
437S94.4Very high93.7Very high4 Ų440.5 Ų40.53%0.02821%0.21CC..Hα-helixtrans-88.3-19.6-178-59.10000114.1L230 R231 D433 L434 V435L230-S437 WeakPolarHBondContact CA-O 3.37Å; R231-S437 PolarHBondContact N-O 2.95Å; R231-S437 PolarHBondContact NE-OG 2.91Å; R231-S437 VanDerWaalsContact NE-OG 3.16Å; R231-S437 PolarHBondContact NH2-OG 3.46Å; D433-S437 WeakPolarHBondContact O-CB 3.48Å; D433-S437 PolarHBondContact O-N 3.48Å; D433-S437 PolarHBondContact O-OG 3.35Å; L434-S437 PolarHBondContact O-N 3.3Å; L434-S437 VanDerWaalsContact O-N 3.12Å; V435-S437 VanDerWaalsContact C-N 3.26Å; V435-S437 PolarHBondContact O-N 3.27Å
438I94.8Very high93.5Very high7 Ų743 Ų434%0.03623%0.227CC..EExtended strand (participates in β ladder)trans-125.3114.9-175.6-53.4173.5000109.9V227 L230 V236 L242 I248 W262 L415 L434 V440V227-I438 HydrophobicContact CG1-CG2 4.3Å; V227-I438 HydrophobicContact CG2-CG2 4.45Å; L230-I438 HydrophobicContact CD2-CG1 4.13Å; L230-I438 HydrophobicContact CD2-CG2 4.46Å; V236-I438 HydrophobicContact CB-CD1 4.48Å; V236-I438 HydrophobicContact CG1-CD1 4.19Å; V236-I438 HydrophobicContact CG2-CD1 4.39Å; V236-I438 HydrophobicContact CG2-CG1 3.97Å; L242-I438 HydrophobicContact CD1-CD1 3.57Å; L242-I438 HydrophobicContact CD1-CG1 4.16Å; L242-I438 HydrophobicContact CD1-CG2 4.46Å; I248-I438 HydrophobicContact CD1-CG2 4.31Å; W262-I438 HydrophobicContact CH2-CD1 4.18Å; W262-I438 HydrophobicContact CZ2-CD1 4.31Å; L415-I438 HydrophobicContact CD1-CD1 3.94Å; L434-I438 HydrophobicContact CD1-CD1 3.54Å; L434-I438 HydrophobicContact CD1-CG1 4.29Å; L434-I438 HydrophobicContact CG-CD1 4.29Å; L434-I438 PolarHBondContact O-N 3.11Å; I438-V440 HydrophobicContact CG2-CG1 3.68Å
439G94.3Very high93.3Very high18 Ų1845.1 Ų45.119%0.18625%0.249CC..EExtended strand (participates in β ladder)trans-85.3132.2163.200000110.2T228 Y229T228-G439 PolarHBondContact N-O 2.84Å; T228-G439 PolarHBondContact OG1-O 2.71Å; T228-G439 VanDerWaalsContact OG1-O 3.1Å; Y229-G439 PolarHBondContact N-O 3.04Å; Y229-G439 PolarHBondContact O-N 3.44Å
440V95.2Very high93.3Very high13 Ų1351.5 Ų51.58%0.07928%0.28CS..EExtended strand (participates in β ladder)trans-122.5158.1-178.6-59.80000111.9V225 G226 I248 Q259 W262 I438V225-V440 HydrophobicContact CB-CB 4.17Å; V225-V440 HydrophobicContact CG2-CB 4.2Å; V225-V440 HydrophobicContact CG2-CG1 4.09Å; G226-V440 CarbonylContact O-C 3.39Å; G226-V440 VanDerWaalsContact O-CA 3.27Å; G226-V440 WeakPolarHBondContact O-CA 3.42Å; I248-V440 HydrophobicContact CD1-CG1 4.5Å; Q259-V440 HydrophobicContact CG-CG2 4.06Å; Q259-V440 PolarHBondContact NE2-O 2.79Å; Q259-V440 VanDerWaalsContact NE2-O 3.1Å; W262-V440 HydrophobicContact CD2-CG1 4.41Å; W262-V440 HydrophobicContact CG-CG2 4.17Å; I438-V440 HydrophobicContact CG2-CG1 3.68Å
441S94.9Very high93.3Very high14 Ų1451.6 Ų51.610%0.09828%0.278CS..EExtended strand (participates in β ladder)trans-143.9153.5176.1177.30000110.4V225 G226 T228 Y443V225-S441 CarbonylContact C-O 3.55Å; V225-S441 WeakPolarHBondContact CA-O 3.04Å; G226-S441 PolarHBondContact N-O 2.95Å; G226-S441 PolarHBondContact O-N 2.93Å; T228-S441 VanDerWaalsContact CG2-CB 3.45Å; S441-Y443 PolarHBondContact O-N 2.91Å; S441-Y443 PolarHBondContact OG-N 2.85Å
442D95.6Very high93.4Very high47 Ų4754 Ų5425%0.25130%0.296SS..SBendtrans-65.8-17.5171.7-68.9-45.8000113.2V221 Q258 Q259V221-D442 HydrophobicContact CG1-CB 4.25Å; Q258-D442 WeakPolarHBondContact CA-OD1 3.36Å; Q259-D442 WeakPolarHBondContact CB-OD1 3.39Å; Q259-D442 PolarHBondContact N-OD1 3.4Å
443Y96Very high93.4Very high36 Ų3649.2 Ų49.214%0.14128%0.275CS..  trans-93.2121.7-178.7-63.4-94.7000111.5L211 P212 L215 V221 S441 P456L211-Y443 WeakPolarHBondContact CB-OH 3.34Å; P212-Y443 WeakPolarHBondContact CD-OH 3.31Å; P212-Y443 WeakPolarHBondContact CG-OH 3.46Å; L215-Y443 HydrophobicContact CB-CE1 4.46Å; L215-Y443 HydrophobicContact CD1-CD1 4.36Å; L215-Y443 HydrophobicContact CD1-CE1 4.03Å; V221-Y443 HydrophobicContact CG2-CD1 3.99Å; V221-Y443 HydrophobicContact CG2-CE1 4.16Å; S441-Y443 PolarHBondContact O-N 2.91Å; S441-Y443 PolarHBondContact OG-N 2.85Å; Y443-P456 HydrophobicContact CD1-CB 3.82Å; Y443-P456 HydrophobicContact CD1-CG 4.04Å; Y443-P456 HydrophobicContact CD2-CB 3.56Å; Y443-P456 HydrophobicContact CD2-CG 4.34Å; Y443-P456 HydrophobicContact CE1-CB 4.21Å; Y443-P456 HydrophobicContact CE2-CB 4Å; Y443-P456 HydrophobicContact CG-CB 3.46Å; Y443-P456 VanDerWaalsContact CG-CB 3.46Å; Y443-P456 HydrophobicContact CG-CG 3.76Å
444V95.5Very high93.5Very high5 Ų549 Ų493%0.0327%0.274CS..EExtended strand (participates in β ladder)trans-106.2121.7173.9176.80000109.5Y219 H220 G224 A247 R446Y219-V444 CarbonylContact C-O 3.59Å; Y219-V444 VanDerWaalsContact CA-O 3.27Å; Y219-V444 WeakPolarHBondContact CA-O 3.39Å; H220-V444 PolarHBondContact N-O 3.38Å; H220-V444 PolarHBondContact O-N 2.93Å; G224-V444 WeakPolarHBondContact O-CG2 3.33Å; A247-V444 HydrophobicContact CB-CB 4.36Å; A247-V444 HydrophobicContact CB-CG1 3.68Å; A247-V444 HydrophobicContact CB-CG2 3.69Å; V444-R446 PolarHBondContact O-N 2.91Å
445P95.9Very high93.5Very high5 Ų552.2 Ų52.23%0.03229%0.29CS..EExtended strand (participates in β ladder)trans-66.5134.517627.8-33.6000111.2Y219 W447 P448 L451 P453Y219-P445 HydrophobicContact CD1-CB 4.11Å; Y219-P445 HydrophobicContact CE1-CB 3.87Å; P445-W447 VanDerWaalsContact C-N 3.33Å; P445-P448 HydrophobicContact CG-CB 4.04Å; P445-L451 HydrophobicContact CB-CB 4.15Å; P445-P453 HydrophobicContact CG-CB 4.37Å
446R93.6Very high93.6Very high104 Ų10449.5 Ų49.539%0.39227%0.274SS..SBendtrans-65.5-38.7172.7-75.5171.3-174.7-101.69.8112.2S216 P217 G218 H220 V444S216-R446 PolarHBondContact O-NE 3.01Å; S216-R446 PolarHBondContact O-NH2 3.29Å; P217-R446 WeakPolarHBondContact O-CD 3.21Å; P217-R446 PolarHBondContact O-NE 3.32Å; G218-R446 WeakPolarHBondContact O-CB 3.28Å; G218-R446 WeakPolarHBondContact O-CG 3.3Å; G218-R446 PolarHBondContact O-N 3.45Å; H220-R446 WeakPolarHBondContact CD2-CG 3.25Å; H220-R446 PolarHBondContact CE1-NH1 2.95Å; H220-R446 PolarHBondContact CE1-NH2 3.43Å; H220-R446 PolarHBondContact ND1-NH2 3.41Å; H220-R446 WeakPolarHBondContact NE2-CG 3.47Å; H220-R446 PolarHBondContact NE2-NE 3.49Å; H220-R446 PolarHBondContact NE2-NH1 2.64Å; V444-R446 PolarHBondContact O-N 2.91Å
447W92.4Very high93.6Very high155 Ų15549.5 Ų49.559%0.58727%0.27SS*.SBendtrans-125.681.2-179.6-58.9-65.9000109.4P445 S449 I450 L451P445-W447 VanDerWaalsContact C-N 3.33Å; W447-S449 PolarHBondContact O-N 2.87Å; W447-I450 HydrophobicContact CB-CB 4.44Å; W447-I450 PolarHBondContact O-N 3.28Å; W447-L451 HydrophobicContact CE3-CD1 3.95Å; W447-L451 PolarHBondContact O-N 3.09Å
448P87.5Confident93.5Very high61 Ų6154 Ų5440%0.39629%0.29SS..THydrogen-bonded Turntrans-59.9-21.2-175.822.8-33.6000113.8P445 I450P445-P448 HydrophobicContact CG-CB 4.04Å; P448-I450 VanDerWaalsContact C-N 3.34Å
449S87Confident93.6Very high123 Ų12356 Ų5686%0.8630%0.3SS*.THydrogen-bonded Turntrans-74.1-19.7175.8-51.60000114.4W447W447-S449 PolarHBondContact O-N 2.87Å
450I91.1Very high93.6Very high142 Ų14255.5 Ų55.573%0.72830%0.296SS*.THydrogen-bonded Turntrans-116.7-43.2-176.6-58.3174.3000110.3W447 P448W447-I450 HydrophobicContact CB-CB 4.44Å; W447-I450 PolarHBondContact O-N 3.28Å; P448-I450 VanDerWaalsContact C-N 3.34Å
451L93.7Very high93.5Very high39 Ų3957.2 Ų57.220%0.20430%0.304CS..SBendtrans-93.9120.7-176.1-68.2175.5000110.3G218 Y219 P445 W447G218-L451 VanDerWaalsContact CA-CD1 3.45Å; G218-L451 WeakPolarHBondContact O-CD1 3.24Å; Y219-L451 HydrophobicContact CE2-CD1 4.36Å; P445-L451 HydrophobicContact CB-CB 4.15Å; W447-L451 HydrophobicContact CE3-CD1 3.95Å; W447-L451 PolarHBondContact O-N 3.09Å
452S94.2Very high93.6Very high63 Ų6358.5 Ų58.544%0.44131%0.31SS..  trans-64.5130.3175.5176.50000110.6Y219 N454 L455Y219-S452 PolarHBondContact OH-O 2.81Å; S452-N454 PolarHBondContact O-N 3.1Å; S452-N454 PolarHBondContact OG-N 3.41Å; S452-L455 PolarHBondContact O-N 3.38Å
453P92.4Very high93.6Very high12 Ų1256.7 Ų56.78%0.07830%0.3CS..THydrogen-bonded Turntrans-64.9-17.4174.326.7-33.7000112.9T228 L244 P445T228-P453 HydrophobicContact CG2-CB 4.32Å; L244-P453 HydrophobicContact CB-CG 4.19Å; P445-P453 HydrophobicContact CG-CB 4.37Å
454N93.5Very high93.6Very high67 Ų6758 Ų5836%0.35831%0.312SS..THydrogen-bonded Turntrans-90.8-6.1-178.5-71-47.1000114.6T228 S452 S457 F458T228-N454 WeakPolarHBondContact CB-OD1 3.45Å; T228-N454 PolarHBondContact O-ND2 3.26Å; T228-N454 PolarHBondContact O-OD1 2.85Å; S452-N454 PolarHBondContact O-N 3.1Å; S452-N454 PolarHBondContact OG-N 3.41Å; N454-S457 PolarHBondContact O-OG 3.09Å; N454-F458 WeakPolarHBondContact O-CB 3.4Å; N454-F458 PolarHBondContact O-N 3.41Å
455L94.7Very high93.5Very high66 Ų6659.3 Ų59.335%0.34632%0.317SS..Hα-helixtrans-62.7-44.6-179.9177.766.4000113.1Y219 S452 S457 F458 L459Y219-L455 HydrophobicContact CE2-CD2 4.29Å; Y219-L455 WeakPolarHBondContact OH-CB 3.2Å; S452-L455 PolarHBondContact O-N 3.38Å; L455-S457 PolarHBondContact O-N 3.08Å; L455-F458 PolarHBondContact O-N 3.19Å; L455-L459 HydrophobicContact CD1-CD1 4.14Å; L455-L459 HydrophobicContact CD1-CG 4.13Å; L455-L459 HydrophobicContact CG-CD1 4.09Å; L455-L459 HydrophobicContact CG-CG 4.47Å; L455-L459 WeakPolarHBondContact O-CG 3.4Å; L455-L459 PolarHBondContact O-N 3.23Å
456P95.6Very high93.6Very high1 Ų160.4 Ų60.41%0.00632%0.322CS..Hα-helixtrans-63.6-41.8179.5-21.734.1000112.6L215 Y219 Y443 L459 G460L215-P456 HydrophobicContact CD1-CB 3.72Å; L215-P456 HydrophobicContact CD1-CG 3.98Å; Y219-P456 HydrophobicContact CD1-CG 3.68Å; Y219-P456 HydrophobicContact CD2-CG 4.33Å; Y219-P456 HydrophobicContact CE1-CG 3.57Å; Y219-P456 HydrophobicContact CE2-CG 4.25Å; Y219-P456 HydrophobicContact CG-CG 4.08Å; Y443-P456 HydrophobicContact CD1-CB 3.82Å; Y443-P456 HydrophobicContact CD1-CG 4.04Å; Y443-P456 HydrophobicContact CD2-CB 3.56Å; Y443-P456 HydrophobicContact CD2-CG 4.34Å; Y443-P456 HydrophobicContact CE1-CB 4.21Å; Y443-P456 HydrophobicContact CE2-CB 4Å; Y443-P456 HydrophobicContact CG-CB 3.46Å; Y443-P456 VanDerWaalsContact CG-CB 3.46Å; Y443-P456 HydrophobicContact CG-CG 3.76Å; P456-L459 PolarHBondContact O-N 3.35Å; P456-G460 PolarHBondContact O-N 2.97Å
457S92.6Very high93.7Very high57 Ų5760.1 Ų60.140%0.39932%0.324SS..Hα-helixtrans-66.2-38.7177.254.20000111.6N454 L455 G460 L461N454-S457 PolarHBondContact O-OG 3.09Å; L455-S457 PolarHBondContact O-N 3.08Å; S457-G460 PolarHBondContact O-N 3.4Å; S457-L461 VanDerWaalsContact O-CB 3.3Å; S457-L461 WeakPolarHBondContact O-CB 3.32Å; S457-L461 PolarHBondContact O-N 2.8Å
458F93.6Very high93.7Very high99 Ų9955.4 Ų55.443%0.43432%0.315SS..Hα-helixtrans-61.1-47.8172.8174.1-93.8000112.6F128 N454 L455 L461 L462F128-F458 AromaticContact CD2-CE2 3.81Å; F128-F458 HydrophobicContact CD2-CE2 3.81Å; F128-F458 HydrophobicContact CD2-CZ 4.39Å; F128-F458 HydrophobicContact CE2-CD2 4.06Å; F128-F458 AromaticContact CE2-CE2 3.23Å; F128-F458 HydrophobicContact CE2-CE2 3.23Å; F128-F458 AromaticContact CE2-CZ 3.54Å; F128-F458 HydrophobicContact CE2-CZ 3.54Å; F128-F458 HydrophobicContact CZ-CD2 4.4Å; F128-F458 AromaticContact CZ-CE2 3.95Å; F128-F458 HydrophobicContact CZ-CE2 3.95Å; F128-F458 HydrophobicContact CZ-CZ 4.26Å; N454-F458 WeakPolarHBondContact O-CB 3.4Å; N454-F458 PolarHBondContact O-N 3.41Å; L455-F458 PolarHBondContact O-N 3.19Å; F458-L461 PolarHBondContact O-N 2.78Å; F458-L462 WeakPolarHBondContact O-CB 3.21Å; F458-L462 PolarHBondContact O-N 2.95Å
459L95.9Very high94Very high48 Ų4852.9 Ų52.925%0.25130%0.298SS..Hα-helixtrans-65.9-40.2178.6-70173.9000111.9L211 L215 L455 P456 L462 C463L211-L459 HydrophobicContact CD1-CB 4.46Å; L211-L459 HydrophobicContact CD2-CB 4.03Å; L211-L459 HydrophobicContact CD2-CD1 4.34Å; L215-L459 HydrophobicContact CD1-CD1 4.33Å; L215-L459 HydrophobicContact CD2-CD1 3.98Å; L455-L459 HydrophobicContact CD1-CD1 4.14Å; L455-L459 HydrophobicContact CD1-CG 4.13Å; L455-L459 HydrophobicContact CG-CD1 4.09Å; L455-L459 HydrophobicContact CG-CG 4.47Å; L455-L459 WeakPolarHBondContact O-CG 3.4Å; L455-L459 PolarHBondContact O-N 3.23Å; P456-L459 PolarHBondContact O-N 3.35Å; L459-L462 WeakPolarHBondContact O-CB 3.39Å; L459-L462 PolarHBondContact O-N 3.47Å; L459-C463 PolarHBondContact O-N 3.12Å; L459-C463 PolarHBondContact O-SG 3.49Å
460G95.6Very high94.5Very high9 Ų947 Ų479%0.09326%0.257CS..Hα-helixtrans-59.8-47.7173.200000111.6P456 S457 L462 C463 T464P456-G460 PolarHBondContact O-N 2.97Å; S457-G460 PolarHBondContact O-N 3.4Å; G460-L462 VanDerWaalsContact C-N 3.34Å; G460-L462 PolarHBondContact O-N 2.84Å; G460-C463 PolarHBondContact O-N 3.18Å; G460-T464 PolarHBondContact O-N 3.45Å; G460-T464 PolarHBondContact O-OG1 2.99Å; G460-T464 VanDerWaalsContact O-OG1 3.09Å
461L93Very high94.6Very high49 Ų4941.4 Ų41.426%0.25723%0.234SC..Hα-helixtrans-61.3-41.6176.6-172.666.8000112.1F128 S457 F458 T464 Y465F128-L461 HydrophobicContact CD1-CD2 3.99Å; F128-L461 HydrophobicContact CD1-CG 4.33Å; F128-L461 HydrophobicContact CE1-CB 4.4Å; F128-L461 HydrophobicContact CE1-CD2 3.91Å; F128-L461 HydrophobicContact CE1-CG 3.85Å; S457-L461 VanDerWaalsContact O-CB 3.3Å; S457-L461 WeakPolarHBondContact O-CB 3.32Å; S457-L461 PolarHBondContact O-N 2.8Å; F458-L461 PolarHBondContact O-N 2.78Å; L461-T464 PolarHBondContact O-N 2.94Å; L461-Y465 HydrophobicContact CD1-CD1 4.29Å; L461-Y465 HydrophobicContact CD1-CE1 3.76Å; L461-Y465 HydrophobicContact CD1-CE2 4.13Å; L461-Y465 HydrophobicContact CD2-CE2 4.3Å; L461-Y465 HydrophobicContact CG-CD2 4.35Å; L461-Y465 HydrophobicContact CG-CE1 4.49Å; L461-Y465 HydrophobicContact CG-CE2 4.08Å; L461-Y465 WeakPolarHBondContact O-CB 3.15Å; L461-Y465 PolarHBondContact O-N 3.32Å
462L95.5Very high94.6Very high41 Ų4141.2 Ų41.222%0.21524%0.238CC..Hα-helixtrans-58.1-48.3174.4-17660.9000111.2F128 T132 F458 L459 G460 T464 Y465 L466F128-L462 HydrophobicContact CE2-CD1 4.22Å; F128-L462 HydrophobicContact CZ-CB 3.81Å; F128-L462 HydrophobicContact CZ-CD1 3.72Å; F128-L462 HydrophobicContact CZ-CG 4.35Å; T132-L462 HydrophobicContact CG2-CD1 4.3Å; F458-L462 WeakPolarHBondContact O-CB 3.21Å; F458-L462 PolarHBondContact O-N 2.95Å; L459-L462 WeakPolarHBondContact O-CB 3.39Å; L459-L462 PolarHBondContact O-N 3.47Å; G460-L462 VanDerWaalsContact C-N 3.34Å; G460-L462 PolarHBondContact O-N 2.84Å; L462-T464 PolarHBondContact O-N 2.58Å; L462-Y465 PolarHBondContact O-N 3.22Å; L462-L466 HydrophobicContact CD1-CD1 4.26Å; L462-L466 HydrophobicContact CD1-CG 4.23Å; L462-L466 HydrophobicContact CG-CD1 3.93Å; L462-L466 HydrophobicContact CG-CG 4.34Å; L462-L466 WeakPolarHBondContact O-CB 3.43Å; L462-L466 VanDerWaalsContact O-CG 3.27Å; L462-L466 WeakPolarHBondContact O-CG 3.28Å; L462-L466 PolarHBondContact O-N 3.5Å
463C97.1Very high94.6Very high9 Ų938.9 Ų38.96%0.06122%0.221CC..Hα-helixtrans-62.2-43.8179-65.10000111.5S204 F208 L459 G460 Y465 L466 F467S204-C463 WeakPolarHBondContact CB-O 3.24Å; F208-C463 HydrophobicContact CB-CB 4Å; F208-C463 HydrophobicContact CD2-CB 4.13Å; L459-C463 PolarHBondContact O-N 3.12Å; L459-C463 PolarHBondContact O-SG 3.49Å; G460-C463 PolarHBondContact O-N 3.18Å; C463-Y465 PolarHBondContact O-N 3.49Å; C463-L466 PolarHBondContact O-N 3.12Å; C463-F467 WeakPolarHBondContact O-CB 3.42Å; C463-F467 PolarHBondContact O-N 2.79Å
464T94.5Very high94.8Very high64 Ų6438.7 Ų38.739%0.39322%0.219SC..Hα-helixtrans-61.2-43.3176.9-60.20000111.7G460 L461 L462 S468G460-T464 PolarHBondContact O-N 3.45Å; G460-T464 PolarHBondContact O-OG1 2.99Å; G460-T464 VanDerWaalsContact O-OG1 3.09Å; L461-T464 PolarHBondContact O-N 2.94Å; L462-T464 PolarHBondContact O-N 2.58Å; T464-S468 WeakPolarHBondContact O-CB 3.46Å; T464-S468 PolarHBondContact O-N 2.89Å
465Y94.3Very high94.9Very high32 Ų3236.7 Ų36.713%0.12521%0.208CC..Hα-helixtrans-71.3-40.6177.8-74.1-2.6000112.5L121 F128 Y129 L461 L462 C463 F467 S468 L469L121-Y465 WeakPolarHBondContact CD1-OH 3.43Å; F128-Y465 AromaticContact CD1-CD2 3.45Å; F128-Y465 HydrophobicContact CD1-CD2 3.45Å; F128-Y465 VanDerWaalsContact CD1-CD2 3.45Å; F128-Y465 AromaticContact CD1-CE2 3.55Å; F128-Y465 HydrophobicContact CD1-CE2 3.55Å; F128-Y465 AromaticContact CE1-CD2 3.51Å; F128-Y465 HydrophobicContact CE1-CD2 3.51Å; F128-Y465 AromaticContact CE1-CE2 3.97Å; F128-Y465 HydrophobicContact CE1-CE2 3.97Å; F128-Y465 HydrophobicContact CE1-CG 4.41Å; Y129-Y465 HydrophobicContact CD2-CD2 4.26Å; Y129-Y465 HydrophobicContact CD2-CE2 4.25Å; Y129-Y465 HydrophobicContact CD2-CG 4.49Å; L461-Y465 HydrophobicContact CD1-CD1 4.29Å; L461-Y465 HydrophobicContact CD1-CE1 3.76Å; L461-Y465 HydrophobicContact CD1-CE2 4.13Å; L461-Y465 HydrophobicContact CD2-CE2 4.3Å; L461-Y465 HydrophobicContact CG-CD2 4.35Å; L461-Y465 HydrophobicContact CG-CE1 4.49Å; L461-Y465 HydrophobicContact CG-CE2 4.08Å; L461-Y465 WeakPolarHBondContact O-CB 3.15Å; L461-Y465 PolarHBondContact O-N 3.32Å; L462-Y465 PolarHBondContact O-N 3.22Å; C463-Y465 PolarHBondContact O-N 3.49Å; Y465-F467 VanDerWaalsContact C-N 3.35Å; Y465-F467 PolarHBondContact O-N 2.82Å; Y465-S468 PolarHBondContact O-N 3.16Å; Y465-L469 WeakPolarHBondContact O-CB 3.46Å; Y465-L469 WeakPolarHBondContact O-CG 3.14Å; Y465-L469 PolarHBondContact O-N 2.92Å
466L96.8Very high94.8Very high27 Ų2737 Ų3714%0.14121%0.21CC..Hα-helixtrans-59.1-46.4173.5-74.9170.7000111T132 I135 I200 S204 L462 C463 S470T132-L466 HydrophobicContact CG2-CD2 3.7Å; T132-L466 HydrophobicContact CG2-CG 3.89Å; I135-L466 HydrophobicContact CG2-CD2 4.36Å; I200-L466 HydrophobicContact CG2-CB 4.14Å; I200-L466 HydrophobicContact CG2-CD2 4.12Å; S204-L466 WeakPolarHBondContact OG-CB 3.36Å; L462-L466 HydrophobicContact CD1-CD1 4.26Å; L462-L466 HydrophobicContact CD1-CG 4.23Å; L462-L466 HydrophobicContact CG-CD1 3.93Å; L462-L466 HydrophobicContact CG-CG 4.34Å; L462-L466 WeakPolarHBondContact O-CB 3.43Å; L462-L466 VanDerWaalsContact O-CG 3.27Å; L462-L466 WeakPolarHBondContact O-CG 3.28Å; L462-L466 PolarHBondContact O-N 3.5Å; C463-L466 PolarHBondContact O-N 3.12Å; L466-S470 WeakPolarHBondContact O-CA 3.39Å; L466-S470 WeakPolarHBondContact O-CB 3.01Å; L466-S470 PolarHBondContact O-N 2.78Å
467F95.7Very high94.8Very high98 Ų9838.1 Ų38.143%0.4322%0.216SC..Hα-helixtrans-58.7-54.1175.6166.9-107.9000111.9A201 I205 C463 Y465 G471A201-F467 HydrophobicContact CB-CD2 4.06Å; I205-F467 HydrophobicContact CD1-CD2 3.57Å; I205-F467 HydrophobicContact CD1-CE2 3.5Å; I205-F467 VanDerWaalsContact CD1-CE2 3.5Å; I205-F467 HydrophobicContact CD1-CG 4.48Å; I205-F467 HydrophobicContact CD1-CZ 4.34Å; I205-F467 HydrophobicContact CG1-CD2 3.69Å; I205-F467 HydrophobicContact CG1-CE2 4.1Å; I205-F467 HydrophobicContact CG1-CG 4.19Å; C463-F467 WeakPolarHBondContact O-CB 3.42Å; C463-F467 PolarHBondContact O-N 2.79Å; Y465-F467 VanDerWaalsContact C-N 3.35Å; Y465-F467 PolarHBondContact O-N 2.82Å; F467-G471 PolarHBondContact O-N 3.02Å
468S92.9Very high95Very high57 Ų5735.4 Ų35.440%0.39920%0.197SC..Hα-helixtrans-64.4-50.5-175.8-178.60000112.2T464 Y465 A472T464-S468 WeakPolarHBondContact O-CB 3.46Å; T464-S468 PolarHBondContact O-N 2.89Å; Y465-S468 PolarHBondContact O-N 3.16Å; S468-A472 WeakPolarHBondContact O-CB 3.42Å; S468-A472 PolarHBondContact O-N 3.36Å
469L94.1Very high95.2Very high7 Ų730.7 Ų30.74%0.03718%0.176CC..Hα-helixtrans-68-45.8-178.2-75.5171.7000112.6Y129 T132 L133 Y465 A472 L473Y129-L469 HydrophobicContact CD2-CD1 4.04Å; Y129-L469 HydrophobicContact CD2-CD2 4.49Å; Y129-L469 HydrophobicContact CD2-CG 4.47Å; Y129-L469 HydrophobicContact CE1-CD2 3.82Å; Y129-L469 HydrophobicContact CE2-CD1 3.92Å; Y129-L469 HydrophobicContact CE2-CD2 3.6Å; Y129-L469 HydrophobicContact CE2-CG 3.87Å; Y129-L469 HydrophobicContact CG-CD1 4.4Å; Y129-L469 WeakPolarHBondContact OH-CD2 3.13Å; T132-L469 HydrophobicContact CG2-CD1 3.87Å; L133-L469 HydrophobicContact CB-CD1 4.07Å; L133-L469 HydrophobicContact CD1-CD2 4.01Å; Y465-L469 WeakPolarHBondContact O-CB 3.46Å; Y465-L469 WeakPolarHBondContact O-CG 3.14Å; Y465-L469 PolarHBondContact O-N 2.92Å; L469-A472 PolarHBondContact O-N 3.37Å; L469-L473 WeakPolarHBondContact O-CG 3.38Å; L469-L473 PolarHBondContact O-N 3.04Å
470S96.8Very high95.2Very high0 Ų028.4 Ų28.40%016%0.164CC..Hα-helixtrans-68.5-39.5-179.5-155.80000110.9N197 L466 L473 V474N197-S470 VanDerWaalsContact C-OG 3.3Å; N197-S470 WeakPolarHBondContact CA-OG 3.43Å; N197-S470 WeakPolarHBondContact CB-OG 2.98Å; N197-S470 PolarHBondContact O-OG 2.82Å; N197-S470 PolarHBondContact OD1-OG 2.8Å; L466-S470 WeakPolarHBondContact O-CA 3.39Å; L466-S470 WeakPolarHBondContact O-CB 3.01Å; L466-S470 PolarHBondContact O-N 2.78Å; S470-L473 PolarHBondContact O-N 3.05Å; S470-V474 WeakPolarHBondContact O-CG2 3.34Å; S470-V474 PolarHBondContact O-N 2.86Å
471G95Very high95.3Very high24 Ų2428.6 Ų28.625%0.24716%0.164CC..Hα-helixtrans-61.4-43172.100000113.1F467 L473 V474 I475F467-G471 PolarHBondContact O-N 3.02Å; G471-L473 PolarHBondContact O-N 2.71Å; G471-V474 WeakPolarHBondContact O-CB 2.94Å; G471-V474 PolarHBondContact O-N 3.2Å; G471-I475 PolarHBondContact O-N 3.27Å; G471-I475 VanDerWaalsContact O-N 3.16Å
472A93.3Very high95.4Very high35 Ų3534.2 Ų34.229%0.28918%0.183SC..Hα-helixtrans-62.3-42.1174.700000112.1S468 L469 V474 I475 L476S468-A472 WeakPolarHBondContact O-CB 3.42Å; S468-A472 PolarHBondContact O-N 3.36Å; L469-A472 PolarHBondContact O-N 3.37Å; A472-V474 VanDerWaalsContact C-N 3.32Å; A472-V474 PolarHBondContact O-N 3.11Å; A472-I475 PolarHBondContact O-N 2.96Å; A472-L476 WeakPolarHBondContact O-CB 2.97Å; A472-L476 WeakPolarHBondContact O-CG 3.29Å; A472-L476 PolarHBondContact O-N 3.1Å
473L94.6Very high95.2Very high15 Ų1536 Ų368%0.07920%0.203CC..Hα-helixtrans-63.4-34.8175-73.3169.4000112.5L133 C136 N197 L469 S470 G471 N477L133-L473 HydrophobicContact CD1-CD1 4.25Å; C136-L473 HydrophobicContact CB-CD1 3.69Å; N197-L473 VanDerWaalsContact ND2-CB 3.29Å; N197-L473 WeakPolarHBondContact ND2-CB 3.04Å; L469-L473 WeakPolarHBondContact O-CG 3.38Å; L469-L473 PolarHBondContact O-N 3.04Å; S470-L473 PolarHBondContact O-N 3.05Å; G471-L473 PolarHBondContact O-N 2.71Å; L473-N477 VanDerWaalsContact O-CB 3.24Å; L473-N477 WeakPolarHBondContact O-CB 3.16Å; L473-N477 PolarHBondContact O-N 3.32Å
474V96.5Very high95.1Very high8 Ų837.6 Ų37.65%0.04821%0.211CC..Hα-helixtrans-58.8-52.7171.9167.50000110.5F82 V194 N197 A198 S470 G471 A472 V478F82-V474 HydrophobicContact CE1-CG1 3.77Å; F82-V474 HydrophobicContact CZ-CG1 3.97Å; V194-V474 HydrophobicContact CG1-CB 4.38Å; V194-V474 HydrophobicContact CG1-CG1 3.9Å; V194-V474 HydrophobicContact CG1-CG2 4.36Å; N197-V474 HydrophobicContact CB-CG2 3.61Å; A198-V474 HydrophobicContact CB-CG2 4.07Å; S470-V474 WeakPolarHBondContact O-CG2 3.34Å; S470-V474 PolarHBondContact O-N 2.86Å; G471-V474 WeakPolarHBondContact O-CB 2.94Å; G471-V474 PolarHBondContact O-N 3.2Å; A472-V474 VanDerWaalsContact C-N 3.32Å; A472-V474 PolarHBondContact O-N 3.11Å; V474-V478 WeakPolarHBondContact O-CB 3.39Å; V474-V478 WeakPolarHBondContact O-CG1 3.41Å; V474-V478 PolarHBondContact O-N 2.99Å
475I93.8Very high95.2Very high24 Ų2435.9 Ų35.912%0.12320%0.2CC..Hα-helixtrans-64.3-43.6-177.1-62.8-55.7000110.8S90 L93 L94 G471 A472 V479S90-I475 WeakPolarHBondContact CB-O 3.49Å; L93-I475 HydrophobicContact CD1-CD1 3.94Å; L93-I475 HydrophobicContact CD1-CG1 4.41Å; L94-I475 HydrophobicContact CD1-CG2 3.97Å; G471-I475 PolarHBondContact O-N 3.27Å; G471-I475 VanDerWaalsContact O-N 3.16Å; A472-I475 PolarHBondContact O-N 2.96Å; I475-V479 VanDerWaalsContact O-CG2 3.28Å; I475-V479 WeakPolarHBondContact O-CG2 3.28Å
476L93.7Very high95.4Very high72 Ų7234.4 Ų34.438%0.37719%0.194SC..Hα-helixtrans-71.7-49.8-177.8-69.2173.6000112.4A472 V478 V479 L484 L523A472-L476 WeakPolarHBondContact O-CB 2.97Å; A472-L476 WeakPolarHBondContact O-CG 3.29Å; A472-L476 PolarHBondContact O-N 3.1Å; L476-V478 PolarHBondContact O-N 2.78Å; L476-V479 PolarHBondContact O-N 3.05Å; L476-L484 VanDerWaalsContact O-CD1 3.25Å; L476-L484 WeakPolarHBondContact O-CD1 3.43Å; L476-L523 HydrophobicContact CD2-CD1 3.89Å
477N95.4Very high95.4Very high25 Ų2534.1 Ų34.113%0.13419%0.192CC..Hα-helixtrans-69.6-22.7-173.6-72.94.3000113H140 V194 L473 D485 G486H140-N477 PolarHBondContact CE1-ND2 3.28Å; H140-N477 PolarHBondContact NE2-ND2 2.89Å; V194-N477 HydrophobicContact CG2-CB 4.2Å; L473-N477 VanDerWaalsContact O-CB 3.24Å; L473-N477 WeakPolarHBondContact O-CB 3.16Å; L473-N477 PolarHBondContact O-N 3.32Å; N477-D485 PolarHBondContact O-N 3.26Å; N477-G486 PolarHBondContact O-N 2.97Å
478V97Very high95.5Very high0 Ų034.8 Ų34.80%019%0.192CC..Hα-helixtrans-85.4-14178.881.90000113.7A83 M87 V194 V474 L476 I489A83-V478 HydrophobicContact CB-CG2 4.21Å; A83-V478 VanDerWaalsContact O-CG2 3.28Å; A83-V478 WeakPolarHBondContact O-CG2 3.41Å; M87-V478 HydrophobicContact CB-CG2 3.9Å; V194-V478 HydrophobicContact CG1-CB 4.33Å; V194-V478 HydrophobicContact CG1-CG2 4.5Å; V194-V478 HydrophobicContact CG2-CB 4.4Å; V474-V478 WeakPolarHBondContact O-CB 3.39Å; V474-V478 WeakPolarHBondContact O-CG1 3.41Å; V474-V478 PolarHBondContact O-N 2.99Å; L476-V478 PolarHBondContact O-N 2.78Å; V478-I489 HydrophobicContact CG2-CD1 4.33Å
479V96.6Very high95.7Very high0 Ų032.2 Ų32.20%017%0.173CC..SBendtrans-62.4133.9176.71710000109.5S90 L94 I475 L476 C481 G486S90-V479 WeakPolarHBondContact OG-CG2 3.45Å; L94-V479 HydrophobicContact CD2-CG1 4.48Å; L94-V479 HydrophobicContact CD2-CG2 3.95Å; I475-V479 VanDerWaalsContact O-CG2 3.28Å; I475-V479 WeakPolarHBondContact O-CG2 3.28Å; L476-V479 PolarHBondContact O-N 3.05Å; V479-C481 HydrophobicContact CG1-CB 3.96Å; V479-C481 PolarHBondContact O-N 3.34Å; V479-G486 WeakPolarHBondContact O-CA 3.25Å
480P97.4Very high95.8Very high1 Ų132.3 Ų32.31%0.00617%0.174CC..  trans-71.274.6175.730.5-35.5000110.8I91 L490 V515 G519I91-P480 HydrophobicContact CD1-CG 4.02Å; I91-P480 HydrophobicContact CG1-CG 4.48Å; P480-L490 HydrophobicContact CB-CB 4.22Å; P480-L490 HydrophobicContact CB-CD2 3.81Å; P480-L490 HydrophobicContact CB-CG 4.46Å; P480-V515 HydrophobicContact CB-CG1 4.24Å; P480-V515 HydrophobicContact CG-CG1 4.15Å; P480-G519 WeakPolarHBondContact O-CA 3.33Å
481C96.3Very high95.8Very high12 Ų1235.2 Ų35.28%0.08119%0.186CC..  trans-123147.9-178.7175.80000109.7V479 A483 L484 Q487 S520 L523V479-C481 HydrophobicContact CG1-CB 3.96Å; V479-C481 PolarHBondContact O-N 3.34Å; C481-A483 PolarHBondContact O-N 3.16Å; C481-L484 HydrophobicContact CB-CD1 3.92Å; C481-L484 HydrophobicContact CB-CG 4.34Å; C481-L484 PolarHBondContact O-N 3.37Å; C481-Q487 WeakPolarHBondContact O-CB 3.33Å; C481-S520 WeakPolarHBondContact CA-OG 3.27Å; C481-L523 HydrophobicContact CB-CD2 4.22Å
482Y95.2Very high95.9Very high168 Ų16834 Ų3466%0.65917%0.174SC*.THydrogen-bonded Turntrans-54.2137.5174.7-174.3-98.1000111.5L484 S520Y482-L484 PolarHBondContact O-N 2.79Å; Y482-S520 PolarHBondContact N-OG 3.1Å
483A92.2Very high96Very high77 Ų7735.7 Ų35.764%0.63618%0.175SC*.THydrogen-bonded Turntrans64.911.2178.800000116.8C481C481-A483 PolarHBondContact O-N 3.16Å
484L95.2Very high96Very high43 Ų4335.8 Ų35.823%0.22518%0.176CC..SBendtrans-108163.2166.9-57.8-176.5000110.3L476 C481 Y482 G486 Q487 L523L476-L484 VanDerWaalsContact O-CD1 3.25Å; L476-L484 WeakPolarHBondContact O-CD1 3.43Å; C481-L484 HydrophobicContact CB-CD1 3.92Å; C481-L484 HydrophobicContact CB-CG 4.34Å; C481-L484 PolarHBondContact O-N 3.37Å; Y482-L484 PolarHBondContact O-N 2.79Å; L484-G486 PolarHBondContact O-N 2.03Å; L484-G486 VanDerWaalsContact O-N 3.16Å; L484-Q487 WeakPolarHBondContact O-CB 3.47Å; L484-Q487 PolarHBondContact O-N 3.46Å; L484-L523 HydrophobicContact CD1-CD2 3.88Å
485D96.6Very high95.9Very high29 Ų2937.1 Ų37.116%0.15518%0.183CC..Hα-helixtrans-56.9-34.2179.2-57.5-38.7000112.4H140 H144 N477 Q487 W488 I489H140-D485 IonicContact CE1-OD2 2.64Å; H140-D485 PolarHBondContact CE1-OD2 2.76Å; H140-D485 VanDerWaalsContact CE1-OD2 3.24Å; H140-D485 IonicContact NE2-OD2 3.44Å; H140-D485 PolarHBondContact NE2-OD2 3.42Å; H144-D485 IonicContact CE1-OD2 3.48Å; H144-D485 IonicContact NE2-OD1 3Å; H144-D485 IonicContact NE2-OD2 3.81Å; N477-D485 PolarHBondContact O-N 3.26Å; D485-Q487 PolarHBondContact O-N 2.03Å; D485-Q487 VanDerWaalsContact O-N 3.08Å; D485-W488 WeakPolarHBondContact O-CA 3.42Å; D485-W488 PolarHBondContact O-N 3.29Å; D485-I489 HydrophobicContact CB-CD1 4.06Å; D485-I489 WeakPolarHBondContact O-CG1 3.43Å; D485-I489 PolarHBondContact O-N 2.85Å
486G97.4Very high95.9Very high0 Ų039.7 Ų39.70%020%0.196CC..Hα-helixtrans-54.6-27.1177.900000113.8N477 V479 L484 L490N477-G486 PolarHBondContact O-N 2.97Å; V479-G486 WeakPolarHBondContact O-CA 3.25Å; L484-G486 PolarHBondContact O-N 2.03Å; L484-G486 VanDerWaalsContact O-N 3.16Å; G486-L490 WeakPolarHBondContact O-CB 3.33Å; G486-L490 PolarHBondContact O-N 2.82Å
487Q97.5Very high95.9Very high22 Ų2239.2 Ų39.210%0.10320%0.198CC..Hα-helixtrans-59.7-50.1170177.3-179.4-35.200111.3C481 L484 D485 K491 F512 L516C481-Q487 WeakPolarHBondContact O-CB 3.33Å; L484-Q487 WeakPolarHBondContact O-CB 3.47Å; L484-Q487 PolarHBondContact O-N 3.46Å; D485-Q487 PolarHBondContact O-N 2.03Å; D485-Q487 VanDerWaalsContact O-N 3.08Å; Q487-K491 PolarHBondContact O-N 2.84Å; Q487-F512 HydrophobicContact CG-CE2 4.43Å; Q487-F512 HydrophobicContact CG-CZ 4Å; Q487-F512 WeakPolarHBondContact O-CE2 3.44Å; Q487-L516 HydrophobicContact CB-CD1 3.91Å; Q487-L516 HydrophobicContact CG-CD1 3.87Å; Q487-L516 HydrophobicContact CG-CD2 4.22Å
488W97Very high95.6Very high112 Ų11239.3 Ų39.342%0.42420%0.199SC..Hα-helixtrans-77.5-36-176.7-56.6110.2000111.8Y190 D485 K491 A492Y190-W488 HydrophobicContact CD1-CB 3.63Å; Y190-W488 HydrophobicContact CD1-CG 4.29Å; Y190-W488 HydrophobicContact CD2-CB 3.83Å; Y190-W488 HydrophobicContact CE1-CB 3.62Å; Y190-W488 AromaticContact CE1-CG 3.95Å; Y190-W488 HydrophobicContact CE1-CG 3.95Å; Y190-W488 HydrophobicContact CE2-CB 3.82Å; Y190-W488 HydrophobicContact CG-CB 3.75Å; D485-W488 WeakPolarHBondContact O-CA 3.42Å; D485-W488 PolarHBondContact O-N 3.29Å; W488-K491 PolarHBondContact O-N 3.19Å; W488-A492 WeakPolarHBondContact O-CB 3.35Å; W488-A492 PolarHBondContact O-N 3.33Å
489I97.5Very high95.1Very high2 Ų242.1 Ų42.11%0.0122%0.217CC..Hα-helixtrans-58.7-50.6171.4-62.9170.4000109.6L187 V194 V478 D485 K491 A492 F493L187-I489 HydrophobicContact CD2-CG2 4.09Å; L187-I489 WeakPolarHBondContact CD2-O 3.14Å; V194-I489 HydrophobicContact CG2-CD1 4.33Å; V478-I489 HydrophobicContact CG2-CD1 4.33Å; D485-I489 HydrophobicContact CB-CD1 4.06Å; D485-I489 WeakPolarHBondContact O-CG1 3.43Å; D485-I489 PolarHBondContact O-N 2.85Å; I489-K491 VanDerWaalsContact C-N 3.34Å; I489-K491 PolarHBondContact O-N 2.9Å; I489-A492 PolarHBondContact O-N 2.91Å; I489-F493 WeakPolarHBondContact O-CB 3.48Å; I489-F493 PolarHBondContact O-N 3.24Å
490L97.5Very high94.5Very high10 Ų1045.5 Ų45.55%0.05225%0.251CS..Hα-helixtrans-57.8-48.2176.9176.968.8000110.6P480 G486 A492 F493 L494 F512 V515P480-L490 HydrophobicContact CB-CB 4.22Å; P480-L490 HydrophobicContact CB-CD2 3.81Å; P480-L490 HydrophobicContact CB-CG 4.46Å; G486-L490 WeakPolarHBondContact O-CB 3.33Å; G486-L490 PolarHBondContact O-N 2.82Å; L490-A492 PolarHBondContact O-N 3.02Å; L490-F493 PolarHBondContact O-N 2.95Å; L490-L494 HydrophobicContact CD1-CD1 3.91Å; L490-L494 HydrophobicContact CD1-CD2 4.2Å; L490-L494 HydrophobicContact CD1-CG 3.92Å; L490-L494 HydrophobicContact CD2-CD1 4.38Å; L490-L494 HydrophobicContact CG-CD1 3.82Å; L490-L494 HydrophobicContact CG-CG 4.19Å; L490-L494 WeakPolarHBondContact O-CB 3.43Å; L490-L494 WeakPolarHBondContact O-CG 3.36Å; L490-L494 PolarHBondContact O-N 3.14Å; L490-F512 HydrophobicContact CD2-CD2 3.79Å; L490-F512 HydrophobicContact CD2-CE2 4.11Å; L490-F512 HydrophobicContact CG-CD2 4.04Å; L490-F512 HydrophobicContact CG-CE2 4.41Å; L490-V515 HydrophobicContact CD1-CG1 4.05Å; L490-V515 HydrophobicContact CD2-CB 3.88Å; L490-V515 HydrophobicContact CD2-CG1 3.62Å
491K96.4Very high93.9Very high60 Ų6051.7 Ų51.726%0.26128%0.283SS..Hα-helixtrans-59-50.9-179-179.654.6-178.5-69.90111.8Q487 W488 I489 F493 L494 D495 F512Q487-K491 PolarHBondContact O-N 2.84Å; W488-K491 PolarHBondContact O-N 3.19Å; I489-K491 VanDerWaalsContact C-N 3.34Å; I489-K491 PolarHBondContact O-N 2.9Å; K491-F493 VanDerWaalsContact C-N 3.3Å; K491-F493 PolarHBondContact O-N 3.4Å; K491-L494 PolarHBondContact O-N 2.73Å; K491-D495 WeakPolarHBondContact CE-OD1 3.45Å; K491-D495 VanDerWaalsContact CE-OD2 3.25Å; K491-D495 WeakPolarHBondContact CE-OD2 3.42Å; K491-D495 WeakPolarHBondContact O-CB 3.37Å; K491-D495 PolarHBondContact O-N 2.72Å; K491-F512 HydrophobicContact CB-CD2 4.07Å; K491-F512 HydrophobicContact CB-CE2 3.7Å; K491-F512 HydrophobicContact CB-CZ 4.29Å; K491-F512 HydrophobicContact CD-CD2 4.2Å; K491-F512 HydrophobicContact CD-CE2 4.43Å; K491-F512 HydrophobicContact CD-CG 4.32Å
492A96.3Very high93.3Very high0 Ų053.3 Ų53.30%029%0.291CS..Hα-helixtrans-65.4-34.5179.900000112Q186 L187 Y190 W488 I489 L490 D495 L496Q186-A492 HydrophobicContact CB-CB 4.02Å; L187-A492 HydrophobicContact CD2-CB 3.84Å; L187-A492 HydrophobicContact CG-CB 3.76Å; Y190-A492 HydrophobicContact CD2-CB 4.22Å; Y190-A492 HydrophobicContact CE2-CB 4.44Å; W488-A492 WeakPolarHBondContact O-CB 3.35Å; W488-A492 PolarHBondContact O-N 3.33Å; I489-A492 PolarHBondContact O-N 2.91Å; L490-A492 PolarHBondContact O-N 3.02Å; A492-D495 PolarHBondContact O-N 2.74Å; A492-L496 WeakPolarHBondContact O-CB 3.46Å; A492-L496 PolarHBondContact O-N 3.35Å
493F96Very high92.8Very high69 Ų6952.5 Ų52.530%0.30330%0.297SS..Hα-helixtrans-66.3-46175.2-171.7-96.5000112.3A84 L187 I489 L490 K491 D495 L496 C497A84-F493 HydrophobicContact CB-CE2 4.34Å; L187-F493 HydrophobicContact CD2-CB 4.2Å; I489-F493 WeakPolarHBondContact O-CB 3.48Å; I489-F493 PolarHBondContact O-N 3.24Å; L490-F493 PolarHBondContact O-N 2.95Å; K491-F493 VanDerWaalsContact C-N 3.3Å; K491-F493 PolarHBondContact O-N 3.4Å; F493-D495 VanDerWaalsContact C-N 3.29Å; F493-D495 PolarHBondContact O-N 2.94Å; F493-L496 PolarHBondContact O-N 3.17Å; F493-L496 VanDerWaalsContact O-N 3.16Å; F493-C497 HydrophobicContact CE1-CB 4.48Å; F493-C497 PolarHBondContact O-N 2.85Å
494L95.2Very high92.6Very high17 Ų1750.9 Ų50.99%0.08928%0.281CS..Hα-helixtrans-63.1-37.6175-66.3176.5000111.2L490 K491 L496 L498 V511 F512L490-L494 HydrophobicContact CD1-CD1 3.91Å; L490-L494 HydrophobicContact CD1-CD2 4.2Å; L490-L494 HydrophobicContact CD1-CG 3.92Å; L490-L494 HydrophobicContact CD2-CD1 4.38Å; L490-L494 HydrophobicContact CG-CD1 3.82Å; L490-L494 HydrophobicContact CG-CG 4.19Å; L490-L494 WeakPolarHBondContact O-CB 3.43Å; L490-L494 WeakPolarHBondContact O-CG 3.36Å; L490-L494 PolarHBondContact O-N 3.14Å; K491-L494 PolarHBondContact O-N 2.73Å; L494-L496 VanDerWaalsContact C-N 3.27Å; L494-L496 PolarHBondContact O-N 3.33Å; L494-L498 HydrophobicContact CB-CD1 3.87Å; L494-L498 HydrophobicContact CD2-CD1 3.27Å; L494-L498 HydrophobicContact CD2-CG 4.28Å; L494-L498 HydrophobicContact CG-CD1 4.05Å; L494-L498 VanDerWaalsContact O-CB 3.27Å; L494-L498 WeakPolarHBondContact O-CB 3.27Å; L494-L498 PolarHBondContact O-N 3.26Å; L494-V511 HydrophobicContact CD2-CG1 4.36Å; L494-F512 HydrophobicContact CD1-CB 3.63Å; L494-F512 HydrophobicContact CD1-CD2 4.06Å; L494-F512 HydrophobicContact CD1-CG 4.36Å
495D94Very high92.3Very high37 Ų3757.9 Ų57.920%0.19831%0.305CS..Hα-helixtrans-70.4-23.8176.7-70.73.2000112.7P183 K491 A492 F493 P499 R508P183-D495 HydrophobicContact CB-CB 4.28Å; P183-D495 HydrophobicContact CG-CB 4.18Å; K491-D495 WeakPolarHBondContact CE-OD1 3.45Å; K491-D495 VanDerWaalsContact CE-OD2 3.25Å; K491-D495 WeakPolarHBondContact CE-OD2 3.42Å; K491-D495 WeakPolarHBondContact O-CB 3.37Å; K491-D495 PolarHBondContact O-N 2.72Å; A492-D495 PolarHBondContact O-N 2.74Å; F493-D495 VanDerWaalsContact C-N 3.29Å; F493-D495 PolarHBondContact O-N 2.94Å; D495-P499 WeakPolarHBondContact O-CD 3.08Å; D495-P499 WeakPolarHBondContact O-CG 3.2Å; D495-R508 IonicContact OD1-CZ 3.65Å; D495-R508 IonicContact OD1-NE 3.93Å; D495-R508 IonicContact OD1-NH2 2.61Å; D495-R508 PolarHBondContact OD1-NH2 2.87Å; D495-R508 IonicContact OD2-NH2 3.8Å
496L94.2Very high92Very high77 Ų7761.1 Ų61.140%0.40333%0.327SS..Hα-helixtrans-82.4-47.5173.6-176.363.5000112.5P183 F184 L187 A492 F493 L494P183-L496 HydrophobicContact CB-CB 3.92Å; P183-L496 HydrophobicContact CB-CD1 4.32Å; F184-L496 HydrophobicContact CB-CD1 4.31Å; F184-L496 HydrophobicContact CB-CD2 4.44Å; F184-L496 HydrophobicContact CD2-CD2 4.05Å; L187-L496 HydrophobicContact CD1-CB 4.45Å; L187-L496 HydrophobicContact CD1-CD2 3.67Å; A492-L496 WeakPolarHBondContact O-CB 3.46Å; A492-L496 PolarHBondContact O-N 3.35Å; F493-L496 PolarHBondContact O-N 3.17Å; F493-L496 VanDerWaalsContact O-N 3.16Å; L494-L496 VanDerWaalsContact C-N 3.27Å; L494-L496 PolarHBondContact O-N 3.33Å
497C92.2Very high91.7Very high62 Ų6267.4 Ų67.442%0.41936%0.355SS..Hα-helixtrans-93.6-33.6-167.4-64.40000114.4F493 P499F493-C497 HydrophobicContact CE1-CB 4.48Å; F493-C497 PolarHBondContact O-N 2.85Å; C497-P499 VanDerWaalsContact C-CD 3.49Å
498L90.2Very high91.5Very high28 Ų2867.9 Ų67.915%0.14736%0.355CS..SBendtrans-85.9-17.2-173.4-71.1165.2000117.2L494 G500 I501 L502 R508L494-L498 HydrophobicContact CB-CD1 3.87Å; L494-L498 HydrophobicContact CD2-CD1 3.27Å; L494-L498 HydrophobicContact CD2-CG 4.28Å; L494-L498 HydrophobicContact CG-CD1 4.05Å; L494-L498 VanDerWaalsContact O-CB 3.27Å; L494-L498 WeakPolarHBondContact O-CB 3.27Å; L494-L498 PolarHBondContact O-N 3.26Å; L498-G500 PolarHBondContact O-N 3.21Å; L498-G500 VanDerWaalsContact O-N 3.09Å; L498-I501 HydrophobicContact CD2-CB 4.43Å; L498-I501 PolarHBondContact O-N 2.9Å; L498-L502 HydrophobicContact CD1-CD1 4.38Å; L498-L502 HydrophobicContact CD2-CD1 3.94Å; L498-L502 HydrophobicContact CD2-CG 4.17Å; L498-L502 PolarHBondContact O-N 2.82Å; L498-R508 HydrophobicContact CB-CG 4Å; L498-R508 HydrophobicContact CD1-CG 4.39Å
499P86.5Confident91.3Very high58 Ų5866.1 Ų66.138%0.37735%0.354SS..THydrogen-bonded Turntrans-55.4-30.3-180-27.935000114.5D495 C497D495-P499 WeakPolarHBondContact O-CD 3.08Å; D495-P499 WeakPolarHBondContact O-CG 3.2Å; C497-P499 VanDerWaalsContact C-CD 3.49Å
500G83.1Confident91.2Very high71 Ų7172.2 Ų72.273%0.73238%0.384SS*.THydrogen-bonded Turntrans-75.8-21.5175.800000114.9L498L498-G500 PolarHBondContact O-N 3.21Å; L498-G500 VanDerWaalsContact O-N 3.09Å
501I85.6Confident91Very high132 Ų13274.3 Ų74.368%0.67740%0.397SS*.THydrogen-bonded Turntrans-106.8-45.9-175-58.4172.5000110.9L498L498-I501 HydrophobicContact CD2-CB 4.43Å; L498-I501 PolarHBondContact O-N 2.9Å
502L84.3Confident91Very high46 Ų4672.9 Ų72.924%0.24139%0.391CS..  trans-11786.9179.9-64.5179.9000109.6L498 S504 R508 V511L498-L502 HydrophobicContact CD1-CD1 4.38Å; L498-L502 HydrophobicContact CD2-CD1 3.94Å; L498-L502 HydrophobicContact CD2-CG 4.17Å; L498-L502 PolarHBondContact O-N 2.82Å; L502-S504 PolarHBondContact O-N 2.76Å; L502-R508 HydrophobicContact CB-CG 3.81Å; L502-R508 HydrophobicContact CD1-CG 4.38Å; L502-R508 WeakPolarHBondContact O-CD 3.42Å; L502-V511 HydrophobicContact CD1-CG2 4.06Å
503L84Confident91.1Very high150 Ų15076.1 Ų76.179%0.78541%0.411SS*.  trans-60-33.9178.1-84.684.3000112.7R505L503-R505 PolarHBondContact O-N 2.88Å
504S87.6Confident91.1Very high43 Ų4376.1 Ų76.130%0.30142%0.417SS..  trans-75.4116.1-175.662.80000111.9L502 P506 K507 R508L502-S504 PolarHBondContact O-N 2.76Å; S504-P506 VanDerWaalsContact C-CD 3.45Å; S504-P506 VanDerWaalsContact C-N 3.34Å; S504-K507 PolarHBondContact O-N 3.36Å; S504-K507 VanDerWaalsContact OG-CB 3.24Å; S504-K507 WeakPolarHBondContact OG-CB 3.49Å; S504-K507 WeakPolarHBondContact OG-CD 3.36Å; S504-K507 WeakPolarHBondContact OG-CG 2.98Å; S504-R508 PolarHBondContact O-N 2.84Å
505R88.4Confident91.2Very high191 Ų19177.5 Ų77.572%0.72143%0.426SS*.Hα-helixtrans-51.4-41.9173.6-67.1-177.3176.4-163.4-1.9113.9L503 K507 R508 N509L503-R505 PolarHBondContact O-N 2.88Å; R505-K507 PolarHBondContact O-N 3.28Å; R505-R508 PolarHBondContact O-N 3.14Å; R505-N509 PolarHBondContact O-N 2.98Å
506P91.6Very high91.3Very high97 Ų9776.8 Ų76.863%0.6342%0.421SS*.Hα-helixtrans-61.8-41.5178.9-25.235.5000113.5S504 N509 M510S504-P506 VanDerWaalsContact C-CD 3.45Å; S504-P506 VanDerWaalsContact C-N 3.34Å; P506-N509 PolarHBondContact O-N 3.15Å; P506-M510 PolarHBondContact O-N 3.38Å
507K91.4Very high91.5Very high132 Ų13277.8 Ų77.857%0.57443%0.426SS*.Hα-helixtrans-66.9-39.6178.1-63.7-175.8-172177.70111.8S504 R505 M510 V511S504-K507 PolarHBondContact O-N 3.36Å; S504-K507 VanDerWaalsContact OG-CB 3.24Å; S504-K507 WeakPolarHBondContact OG-CB 3.49Å; S504-K507 WeakPolarHBondContact OG-CD 3.36Å; S504-K507 WeakPolarHBondContact OG-CG 2.98Å; R505-K507 PolarHBondContact O-N 3.28Å; K507-M510 WeakPolarHBondContact O-CB 3.28Å; K507-M510 PolarHBondContact O-N 3.24Å; K507-V511 WeakPolarHBondContact O-CG2 3.37Å; K507-V511 PolarHBondContact O-N 2.96Å
508R91.8Very high91.7Very high32 Ų3280.3 Ų80.312%0.12144%0.435CS..Hα-helixtrans-60.6-44.2173.7-79.4174.140.2-132.4-10.5112D495 L498 L502 S504 R505 M510 V511 F512D495-R508 IonicContact OD1-CZ 3.65Å; D495-R508 IonicContact OD1-NE 3.93Å; D495-R508 IonicContact OD1-NH2 2.61Å; D495-R508 PolarHBondContact OD1-NH2 2.87Å; D495-R508 IonicContact OD2-NH2 3.8Å; L498-R508 HydrophobicContact CB-CG 4Å; L498-R508 HydrophobicContact CD1-CG 4.39Å; L502-R508 HydrophobicContact CB-CG 3.81Å; L502-R508 HydrophobicContact CD1-CG 4.38Å; L502-R508 WeakPolarHBondContact O-CD 3.42Å; S504-R508 PolarHBondContact O-N 2.84Å; R505-R508 PolarHBondContact O-N 3.14Å; R508-M510 VanDerWaalsContact C-N 3.31Å; R508-M510 PolarHBondContact O-N 3.21Å; R508-V511 PolarHBondContact O-N 2.87Å; R508-F512 WeakPolarHBondContact O-CB 3.31Å; R508-F512 PolarHBondContact O-N 3.04Å
509N93.5Very high92.1Very high74 Ų7479.2 Ų79.240%0.39643%0.43SS..Hα-helixtrans-64-36.8175-73.2-12000111.9R505 P506 F512 T513R505-N509 PolarHBondContact O-N 2.98Å; P506-N509 PolarHBondContact O-N 3.15Å; N509-F512 WeakPolarHBondContact O-CB 3.48Å; N509-F512 PolarHBondContact O-N 2.8Å; N509-T513 WeakPolarHBondContact O-CB 3.02Å; N509-T513 PolarHBondContact O-N 3.38Å; N509-T513 PolarHBondContact O-OG1 3.16Å
510M94.8Very high92.6Very high131 Ų13178 Ų7865%0.64542%0.423SS*.Hα-helixtrans-62.8-46.9174.1-175.5-177.6176.900111.6P506 K507 R508 F512 T513 V514P506-M510 PolarHBondContact O-N 3.38Å; K507-M510 WeakPolarHBondContact O-CB 3.28Å; K507-M510 PolarHBondContact O-N 3.24Å; R508-M510 VanDerWaalsContact C-N 3.31Å; R508-M510 PolarHBondContact O-N 3.21Å; M510-F512 VanDerWaalsContact C-N 3.34Å; M510-F512 PolarHBondContact O-N 3.12Å; M510-T513 PolarHBondContact O-N 3.18Å; M510-V514 HydrophobicContact CG-CG2 4.48Å; M510-V514 VanDerWaalsContact O-CG2 3.3Å; M510-V514 WeakPolarHBondContact O-CG2 3.43Å; M510-V514 PolarHBondContact O-N 2.73Å
511V94.6Very high93.3Very high53 Ų5378 Ų7832%0.32141%0.412SS..Hα-helixtrans-58.5-47.5175.1172.30000110.7L494 L502 K507 R508 T513 V514 V515L494-V511 HydrophobicContact CD2-CG1 4.36Å; L502-V511 HydrophobicContact CD1-CG2 4.06Å; K507-V511 WeakPolarHBondContact O-CG2 3.37Å; K507-V511 PolarHBondContact O-N 2.96Å; R508-V511 PolarHBondContact O-N 2.87Å; V511-T513 PolarHBondContact O-N 2.91Å; V511-V514 PolarHBondContact O-N 2.9Å; V511-V515 HydrophobicContact CG1-CG2 4.32Å; V511-V515 WeakPolarHBondContact O-CG2 3.5Å; V511-V515 PolarHBondContact O-N 2.91Å
512F96.3Very high93.7Very high30 Ų3073 Ų7313%0.13239%0.387CS..Hα-helixtrans-53.8-52.6175.1169.5-105000111.8Q487 L490 K491 L494 R508 N509 M510 V514 V515 L516Q487-F512 HydrophobicContact CG-CE2 4.43Å; Q487-F512 HydrophobicContact CG-CZ 4Å; Q487-F512 WeakPolarHBondContact O-CE2 3.44Å; L490-F512 HydrophobicContact CD2-CD2 3.79Å; L490-F512 HydrophobicContact CD2-CE2 4.11Å; L490-F512 HydrophobicContact CG-CD2 4.04Å; L490-F512 HydrophobicContact CG-CE2 4.41Å; K491-F512 HydrophobicContact CB-CD2 4.07Å; K491-F512 HydrophobicContact CB-CE2 3.7Å; K491-F512 HydrophobicContact CB-CZ 4.29Å; K491-F512 HydrophobicContact CD-CD2 4.2Å; K491-F512 HydrophobicContact CD-CE2 4.43Å; K491-F512 HydrophobicContact CD-CG 4.32Å; L494-F512 HydrophobicContact CD1-CB 3.63Å; L494-F512 HydrophobicContact CD1-CD2 4.06Å; L494-F512 HydrophobicContact CD1-CG 4.36Å; R508-F512 WeakPolarHBondContact O-CB 3.31Å; R508-F512 PolarHBondContact O-N 3.04Å; N509-F512 WeakPolarHBondContact O-CB 3.48Å; N509-F512 PolarHBondContact O-N 2.8Å; M510-F512 VanDerWaalsContact C-N 3.34Å; M510-F512 PolarHBondContact O-N 3.12Å; F512-V514 PolarHBondContact O-N 3.31Å; F512-V515 PolarHBondContact O-N 3.06Å; F512-L516 HydrophobicContact CE1-CD2 4.1Å; F512-L516 HydrophobicContact CZ-CD2 3.88Å; F512-L516 VanDerWaalsContact O-CB 3.24Å; F512-L516 WeakPolarHBondContact O-CB 3.19Å; F512-L516 PolarHBondContact O-N 2.93Å
513T97Very high94.2Very high68 Ų6872.9 Ų72.942%0.41739%0.386SS..Hα-helixtrans-61.5-43.3-179.3-610000112N509 M510 V511 L516 I517N509-T513 WeakPolarHBondContact O-CB 3.02Å; N509-T513 PolarHBondContact O-N 3.38Å; N509-T513 PolarHBondContact O-OG1 3.16Å; M510-T513 PolarHBondContact O-N 3.18Å; V511-T513 PolarHBondContact O-N 2.91Å; T513-L516 PolarHBondContact O-N 3.01Å; T513-I517 HydrophobicContact CG2-CD1 3.77Å; T513-I517 HydrophobicContact CG2-CG1 4.43Å; T513-I517 WeakPolarHBondContact O-CB 3.22Å; T513-I517 VanDerWaalsContact O-CG1 3.24Å; T513-I517 WeakPolarHBondContact O-CG1 3.32Å; T513-I517 PolarHBondContact O-N 2.92Å
514V97.3Very high94.7Very high70 Ų7067.6 Ų67.642%0.42437%0.368SS..Hα-helixtrans-63.3-48.9179.2170.10000111.1M510 V511 F512 L516 I517 L518M510-V514 HydrophobicContact CG-CG2 4.48Å; M510-V514 VanDerWaalsContact O-CG2 3.3Å; M510-V514 WeakPolarHBondContact O-CG2 3.43Å; M510-V514 PolarHBondContact O-N 2.73Å; V511-V514 PolarHBondContact O-N 2.9Å; F512-V514 PolarHBondContact O-N 3.31Å; V514-L516 VanDerWaalsContact C-N 3.33Å; V514-L516 PolarHBondContact O-N 3.13Å; V514-I517 PolarHBondContact O-N 3.34Å; V514-L518 HydrophobicContact CG1-CD1 4.08Å; V514-L518 WeakPolarHBondContact O-CG 3.46Å; V514-L518 PolarHBondContact O-N 3.49Å
515V96.4Very high95Very high46 Ų4669.6 Ų69.628%0.27938%0.375SS..Hα-helixtrans-64-40.1179.4176.40000110.9P480 L490 V511 F512 L518 G519P480-V515 HydrophobicContact CB-CG1 4.24Å; P480-V515 HydrophobicContact CG-CG1 4.15Å; L490-V515 HydrophobicContact CD1-CG1 4.05Å; L490-V515 HydrophobicContact CD2-CB 3.88Å; L490-V515 HydrophobicContact CD2-CG1 3.62Å; V511-V515 HydrophobicContact CG1-CG2 4.32Å; V511-V515 WeakPolarHBondContact O-CG2 3.5Å; V511-V515 PolarHBondContact O-N 2.91Å; F512-V515 PolarHBondContact O-N 3.06Å; V515-L518 PolarHBondContact O-N 2.84Å; V515-G519 PolarHBondContact O-N 3.45Å
516L97.3Very high95.2Very high21 Ų2161.1 Ų61.111%0.1134%0.344CS..Hα-helixtrans-63.5-41.8176.9-172.369.2000112.1Q487 F512 T513 V514 S520Q487-L516 HydrophobicContact CB-CD1 3.91Å; Q487-L516 HydrophobicContact CG-CD1 3.87Å; Q487-L516 HydrophobicContact CG-CD2 4.22Å; F512-L516 HydrophobicContact CE1-CD2 4.1Å; F512-L516 HydrophobicContact CZ-CD2 3.88Å; F512-L516 VanDerWaalsContact O-CB 3.24Å; F512-L516 WeakPolarHBondContact O-CB 3.19Å; F512-L516 PolarHBondContact O-N 2.93Å; T513-L516 PolarHBondContact O-N 3.01Å; V514-L516 VanDerWaalsContact C-N 3.33Å; V514-L516 PolarHBondContact O-N 3.13Å; L516-S520 VanDerWaalsContact O-CB 3.28Å; L516-S520 WeakPolarHBondContact O-CB 3.45Å; L516-S520 PolarHBondContact O-N 3.48Å; L516-S520 PolarHBondContact O-OG 2.7Å
517I97.8Very high95.1Very high98 Ų9861.6 Ų61.650%0.50334%0.341SS..Hα-helixtrans-63.5-48.2175.4-70.9167.5000109.8T513 V514 G519 S520 S521T513-I517 HydrophobicContact CG2-CD1 3.77Å; T513-I517 HydrophobicContact CG2-CG1 4.43Å; T513-I517 WeakPolarHBondContact O-CB 3.22Å; T513-I517 VanDerWaalsContact O-CG1 3.24Å; T513-I517 WeakPolarHBondContact O-CG1 3.32Å; T513-I517 PolarHBondContact O-N 2.92Å; V514-I517 PolarHBondContact O-N 3.34Å; I517-G519 PolarHBondContact O-N 3.05Å; I517-S520 PolarHBondContact O-N 3.33Å; I517-S521 WeakPolarHBondContact O-CB 3.05Å; I517-S521 PolarHBondContact O-N 3.29Å; I517-S521 PolarHBondContact O-OG 2.99Å; I517-S521 VanDerWaalsContact O-OG 3.08Å
518L97.3Very high95.1Very high115 Ų11561.4 Ų61.460%0.60234%0.34SS*.Hα-helixtrans-59.5-45.7179.2-71.2173.2000112.3V514 V515 S521 L522V514-L518 HydrophobicContact CG1-CD1 4.08Å; V514-L518 WeakPolarHBondContact O-CG 3.46Å; V514-L518 PolarHBondContact O-N 3.49Å; V515-L518 PolarHBondContact O-N 2.84Å; L518-S521 PolarHBondContact O-N 3.41Å; L518-L522 WeakPolarHBondContact O-CB 3.44Å; L518-L522 PolarHBondContact O-N 3.04Å
519G97.1Very high94.9Very high5 Ų561 Ų615%0.05234%0.34CS..Hα-helixtrans-64.8-40.8176.900000112.7P480 V515 I517 L522 L523P480-G519 WeakPolarHBondContact O-CA 3.33Å; V515-G519 PolarHBondContact O-N 3.45Å; I517-G519 PolarHBondContact O-N 3.05Å; G519-L522 PolarHBondContact O-N 2.64Å; G519-L523 PolarHBondContact O-N 2.91Å
520S97.4Very high94.4Very high32 Ų3258.6 Ų58.622%0.22433%0.33CS..Hα-helixtrans-65.6-42.5175.9-540000112.1C481 Y482 L516 I517 L522 L523 G524C481-S520 WeakPolarHBondContact CA-OG 3.27Å; Y482-S520 PolarHBondContact N-OG 3.1Å; L516-S520 VanDerWaalsContact O-CB 3.28Å; L516-S520 WeakPolarHBondContact O-CB 3.45Å; L516-S520 PolarHBondContact O-N 3.48Å; L516-S520 PolarHBondContact O-OG 2.7Å; I517-S520 PolarHBondContact O-N 3.33Å; S520-L522 VanDerWaalsContact C-N 3.35Å; S520-L523 PolarHBondContact O-N 3.18Å; S520-G524 PolarHBondContact O-N 3.42Å
521S97.1Very high93.9Very high72 Ų7256.7 Ų56.750%0.50332%0.322SS..Hα-helixtrans-64.2-39174.9-65.70000111.9I517 L518 G524 L525I517-S521 WeakPolarHBondContact O-CB 3.05Å; I517-S521 PolarHBondContact O-N 3.29Å; I517-S521 PolarHBondContact O-OG 2.99Å; I517-S521 VanDerWaalsContact O-OG 3.08Å; L518-S521 PolarHBondContact O-N 3.41Å; S521-G524 PolarHBondContact O-N 2.77Å; S521-L525 VanDerWaalsContact O-CB 3.29Å; S521-L525 WeakPolarHBondContact O-CB 3.47Å; S521-L525 PolarHBondContact O-N 3.46Å
522L95.9Very high93.4Very high28 Ų2857.8 Ų57.815%0.14733%0.326CS..Hα-helixtrans-64.7-44.6177.317963.1000111.9I91 L94 L518 G519 S520 N526I91-L522 HydrophobicContact CG2-CD2 4.27Å; L94-L522 HydrophobicContact CB-CD1 4.44Å; L94-L522 HydrophobicContact CB-CD2 3.78Å; L94-L522 HydrophobicContact CB-CG 3.95Å; L94-L522 HydrophobicContact CD2-CG 4.39Å; L518-L522 WeakPolarHBondContact O-CB 3.44Å; L518-L522 PolarHBondContact O-N 3.04Å; G519-L522 PolarHBondContact O-N 2.64Å; S520-L522 VanDerWaalsContact C-N 3.35Å; L522-N526 PolarHBondContact O-N 3.24Å; L522-N526 VanDerWaalsContact O-N 3.11Å; L522-N526 PolarHBondContact O-ND2 2.89Å
523L93.8Very high92.6Very high42 Ų4261.2 Ų61.222%0.2234%0.338CS..Hα-helixtrans-64.9-45.1175.3-177.763.9000111.1L94 L476 C481 L484 G519 S520 L525 N526 L527L94-L523 HydrophobicContact CD2-CB 4.37Å; L94-L523 HydrophobicContact CD2-CD1 3.98Å; L476-L523 HydrophobicContact CD2-CD1 3.89Å; C481-L523 HydrophobicContact CB-CD2 4.22Å; L484-L523 HydrophobicContact CD1-CD2 3.88Å; G519-L523 PolarHBondContact O-N 2.91Å; S520-L523 PolarHBondContact O-N 3.18Å; L523-L525 VanDerWaalsContact C-N 3.34Å; L523-L525 PolarHBondContact O-N 2.91Å; L523-N526 PolarHBondContact O-N 3.44Å; L523-L527 PolarHBondContact O-N 3.29Å
524G94.1Very high91.5Very high39 Ų3960.6 Ų60.640%0.40233%0.332SS..Hα-helixtrans-60.4-40.3177.100000113.1S520 S521 L527 F528S520-G524 PolarHBondContact O-N 3.42Å; S521-G524 PolarHBondContact O-N 2.77Å; G524-L527 PolarHBondContact O-N 3.32Å; G524-F528 WeakPolarHBondContact O-CB 3.12Å; G524-F528 PolarHBondContact O-N 2.92Å
525L94.1Very high90.5Very high85 Ų8560.1 Ų60.145%0.44533%0.331SS..Hα-helixtrans-62.1-48174.4177.164.3000111.3A98 S521 L523 L527 F528 L529A98-L525 HydrophobicContact CB-CD2 4.15Å; S521-L525 VanDerWaalsContact O-CB 3.29Å; S521-L525 WeakPolarHBondContact O-CB 3.47Å; S521-L525 PolarHBondContact O-N 3.46Å; L523-L525 VanDerWaalsContact C-N 3.34Å; L523-L525 PolarHBondContact O-N 2.91Å; L525-L527 VanDerWaalsContact C-N 3.33Å; L525-L527 PolarHBondContact O-N 2.76Å; L525-F528 PolarHBondContact O-N 3.33Å; L525-L529 HydrophobicContact CD1-CD1 4.13Å; L525-L529 HydrophobicContact CD1-CG 4.15Å; L525-L529 HydrophobicContact CG-CD1 4.04Å; L525-L529 HydrophobicContact CG-CG 4.44Å; L525-L529 WeakPolarHBondContact O-CB 3.02Å; L525-L529 VanDerWaalsContact O-CG 3.28Å; L525-L529 WeakPolarHBondContact O-CG 3.35Å; L525-L529 PolarHBondContact O-N 2.04Å
526N91.8Very high89.7Confident13 Ų1362.3 Ų62.37%0.0734%0.341CS..Hα-helixtrans-60.8-42.8177.6-83.4-77.5000111.7L94 L97 A98 L522 L523 L529 A530L94-N526 PolarHBondContact O-ND2 3.4Å; L94-N526 PolarHBondContact O-OD1 3.49Å; L97-N526 WeakPolarHBondContact CB-OD1 3.27Å; L97-N526 WeakPolarHBondContact CD2-OD1 3.34Å; L97-N526 VanDerWaalsContact CG-OD1 3.25Å; L97-N526 WeakPolarHBondContact CG-OD1 3.37Å; A98-N526 PolarHBondContact N-OD1 3.47Å; L522-N526 PolarHBondContact O-N 3.24Å; L522-N526 VanDerWaalsContact O-N 3.11Å; L522-N526 PolarHBondContact O-ND2 2.89Å; L523-N526 PolarHBondContact O-N 3.44Å; N526-L529 PolarHBondContact O-N 3.47Å; N526-A530 WeakPolarHBondContact O-CB 3.04Å; N526-A530 PolarHBondContact O-N 3.34Å
527L89.7Confident88.4Confident108 Ų10865.3 Ų65.357%0.56535%0.354SS*.Hα-helixtrans-62.6-45.2176-179.961000111.7L523 G524 L525 A530 I531L523-L527 PolarHBondContact O-N 3.29Å; G524-L527 PolarHBondContact O-N 3.32Å; L525-L527 VanDerWaalsContact C-N 3.33Å; L525-L527 PolarHBondContact O-N 2.76Å; L527-A530 PolarHBondContact O-N 2.04Å; L527-I531 HydrophobicContact CD1-CD1 4.01Å; L527-I531 HydrophobicContact CD1-CG1 4.35Å; L527-I531 HydrophobicContact CG-CD1 3.98Å; L527-I531 WeakPolarHBondContact O-CG1 3.46Å; L527-I531 PolarHBondContact O-N 3.4Å
528F91.3Very high86.9Confident127 Ų12763 Ų6356%0.55735%0.35SS*.Hα-helixtrans-60.5-46.6176.9175.3-100.5000111.8G524 L525 A530 I531 L532G524-F528 WeakPolarHBondContact O-CB 3.12Å; G524-F528 PolarHBondContact O-N 2.92Å; L525-F528 PolarHBondContact O-N 3.33Å; F528-A530 PolarHBondContact O-N 2.98Å; F528-I531 PolarHBondContact O-N 3.46Å; F528-L532 HydrophobicContact CE1-CD2 4.3Å; F528-L532 WeakPolarHBondContact O-CB 3.41Å; F528-L532 PolarHBondContact O-N 3Å
529L88.6Confident85.5Confident24 Ų2463.5 Ų63.513%0.12635%0.353CS..Hα-helixtrans-62.6-40.9177.7-70.4174.8000111.9A98 T101 L525 N526 L532 Y533A98-L529 HydrophobicContact CB-CD1 4.27Å; T101-L529 HydrophobicContact CG2-CB 3.93Å; T101-L529 HydrophobicContact CG2-CD1 4.42Å; L525-L529 HydrophobicContact CD1-CD1 4.13Å; L525-L529 HydrophobicContact CD1-CG 4.15Å; L525-L529 HydrophobicContact CG-CD1 4.04Å; L525-L529 HydrophobicContact CG-CG 4.44Å; L525-L529 WeakPolarHBondContact O-CB 3.02Å; L525-L529 VanDerWaalsContact O-CG 3.28Å; L525-L529 WeakPolarHBondContact O-CG 3.35Å; L525-L529 PolarHBondContact O-N 2.04Å; N526-L529 PolarHBondContact O-N 3.47Å; L529-L532 PolarHBondContact O-N 3.23Å; L529-Y533 VanDerWaalsContact O-CB 3.32Å; L529-Y533 WeakPolarHBondContact O-CB 3.44Å; L529-Y533 PolarHBondContact O-N 3.44Å
530A83.8Confident83.7Confident23 Ų2372.5 Ų72.519%0.1939%0.387CS..Hα-helixtrans-63-43.8176.400000112.2P114 N526 L527 F528 Y533 L534P114-A530 HydrophobicContact CG-CB 4.15Å; N526-A530 WeakPolarHBondContact O-CB 3.04Å; N526-A530 PolarHBondContact O-N 3.34Å; L527-A530 PolarHBondContact O-N 2.04Å; F528-A530 PolarHBondContact O-N 2.98Å; A530-Y533 PolarHBondContact O-N 3.17Å; A530-L534 PolarHBondContact O-N 2.81Å
531I83.3Confident81.6Confident92 Ų9275.4 Ų75.447%0.47241%0.407SS..Hα-helixtrans-65.6-45.6176.6-67.2167.7000110.7L527 F528 Y533 L534 C535L527-I531 HydrophobicContact CD1-CD1 4.01Å; L527-I531 HydrophobicContact CD1-CG1 4.35Å; L527-I531 HydrophobicContact CG-CD1 3.98Å; L527-I531 WeakPolarHBondContact O-CG1 3.46Å; L527-I531 PolarHBondContact O-N 3.4Å; F528-I531 PolarHBondContact O-N 3.46Å; I531-Y533 VanDerWaalsContact C-N 3.31Å; I531-Y533 PolarHBondContact O-N 3.29Å; I531-L534 PolarHBondContact O-N 3.4Å; I531-C535 PolarHBondContact O-N 3.41Å; I531-C535 PolarHBondContact O-SG 3.08Å; I531-C535 VanDerWaalsContact O-SG 3.4Å
532L85.1Confident79.1Confident76 Ų7675.2 Ų75.240%0.39842%0.417SS..Hα-helixtrans-58.3-45.3177.7179.164000111.2F528 L529 L534 C535 L536F528-L532 HydrophobicContact CE1-CD2 4.3Å; F528-L532 WeakPolarHBondContact O-CB 3.41Å; F528-L532 PolarHBondContact O-N 3Å; L529-L532 PolarHBondContact O-N 3.23Å; L532-L534 PolarHBondContact O-N 3.34Å; L532-C535 PolarHBondContact O-N 3.32Å; L532-L536 HydrophobicContact CG-CD1 4.28Å; L532-L536 VanDerWaalsContact O-CG 3.32Å; L532-L536 WeakPolarHBondContact O-CG 3.39Å; L532-L536 PolarHBondContact O-N 3.39Å
533Y77.9Confident76.1Confident101 Ų10176.4 Ų76.440%0.39644%0.436SS..Hα-helixtrans-59.6-45.5176.6-175.2-93.2000111.8L529 A530 I531 C535 L536 Q537L529-Y533 VanDerWaalsContact O-CB 3.32Å; L529-Y533 WeakPolarHBondContact O-CB 3.44Å; L529-Y533 PolarHBondContact O-N 3.44Å; A530-Y533 PolarHBondContact O-N 3.17Å; I531-Y533 VanDerWaalsContact C-N 3.31Å; I531-Y533 PolarHBondContact O-N 3.29Å; Y533-C535 PolarHBondContact O-N 2.93Å; Y533-L536 PolarHBondContact O-N 3.15Å; Y533-Q537 VanDerWaalsContact CE1-OE1 3.32Å; Y533-Q537 PolarHBondContact O-N 3.09Å
534L74.3Confident73.1Confident55 Ų5580.1 Ų80.129%0.28846%0.455SS..Hα-helixtrans-61.6-43.3176177147.5000112.4M116 I119 A530 I531 L532 L536 Q537 A538M116-L534 HydrophobicContact CG-CD1 4.26Å; M116-L534 HydrophobicContact SD-CB 4.15Å; M116-L534 HydrophobicContact SD-CD1 3.36Å; M116-L534 WeakPolarHBondContact SD-CD1 3.32Å; M116-L534 HydrophobicContact SD-CG 4.27Å; I119-L534 HydrophobicContact CD1-CD1 3.3Å; I119-L534 HydrophobicContact CD1-CG 3.75Å; A530-L534 PolarHBondContact O-N 2.81Å; I531-L534 PolarHBondContact O-N 3.4Å; L532-L534 PolarHBondContact O-N 3.34Å; L534-L536 VanDerWaalsContact C-N 3.34Å; L534-L536 PolarHBondContact O-N 3.06Å; L534-Q537 PolarHBondContact O-N 3.42Å; L534-A538 WeakPolarHBondContact O-CB 3.26Å; L534-A538 PolarHBondContact O-N 3.37Å
535C76.8Confident70.2Confident61 Ų6183.7 Ų83.741%0.41247%0.472SS..Hα-helixtrans-62.7-40.7177.2-720000112I531 L532 Y533 A538 N539I531-C535 PolarHBondContact O-N 3.41Å; I531-C535 PolarHBondContact O-SG 3.08Å; I531-C535 VanDerWaalsContact O-SG 3.4Å; L532-C535 PolarHBondContact O-N 3.32Å; Y533-C535 PolarHBondContact O-N 2.93Å; C535-A538 PolarHBondContact O-N 3.01Å; C535-N539 PolarHBondContact O-N 3.37Å
536L78.6Confident67.2Low91 Ų9187.4 Ų87.448%0.47649%0.492SS..Hα-helixtrans-64.3-42.7176.1-70.1171.5000111.7L532 Y533 L534 N539 Y540L532-L536 HydrophobicContact CG-CD1 4.28Å; L532-L536 VanDerWaalsContact O-CG 3.32Å; L532-L536 WeakPolarHBondContact O-CG 3.39Å; L532-L536 PolarHBondContact O-N 3.39Å; Y533-L536 PolarHBondContact O-N 3.15Å; L534-L536 VanDerWaalsContact C-N 3.34Å; L534-L536 PolarHBondContact O-N 3.06Å; L536-N539 PolarHBondContact O-N 3.18Å; L536-Y540 PolarHBondContact O-N 3.07Å; L536-Y540 VanDerWaalsContact O-N 3.1Å
537Q71Confident64.2Low84 Ų8490.6 Ų90.639%0.39352%0.515SS..Hα-helixtrans-66.9-40.5177.7-170.2165-7.100112.2Y533 L534 N539 Y540 S541Y533-Q537 VanDerWaalsContact CE1-OE1 3.32Å; Y533-Q537 PolarHBondContact O-N 3.09Å; L534-Q537 PolarHBondContact O-N 3.42Å; Q537-N539 PolarHBondContact O-N 3.25Å; Q537-Y540 PolarHBondContact O-N 3.39Å; Q537-S541 PolarHBondContact O-N 2.95Å; Q537-S541 PolarHBondContact O-OG 2.85Å
538A65.2Low61.3Low51 Ų5193.7 Ų93.742%0.42153%0.53SS..Hα-helixtrans-62.5-4017500000112.4L534 C535 Y540 S541 G542L534-A538 WeakPolarHBondContact O-CB 3.26Å; L534-A538 PolarHBondContact O-N 3.37Å; C535-A538 PolarHBondContact O-N 3.01Å; A538-Y540 VanDerWaalsContact C-N 3.34Å; A538-S541 PolarHBondContact O-N 3.48Å; A538-G542 PolarHBondContact O-N 2.95Å
539N68.4Low58.3Low124 Ų12491.8 Ų91.866%0.66353%0.533SS*.Hα-helixtrans-65.9-35.6175.7-75.3-11.9000112.4C535 L536 Q537 G543C535-N539 PolarHBondContact O-N 3.37Å; L536-N539 PolarHBondContact O-N 3.18Å; Q537-N539 PolarHBondContact O-N 3.25Å; N539-G543 PolarHBondContact O-N 3.07Å
540Y59.8Low55.6Low195 Ų19596.3 Ų96.377%0.76556%0.564SS**Hα-helixtrans-68.4-44.6176.1-123.6-88.9000112L536 Q537 A538 G542 G543L536-Y540 PolarHBondContact O-N 3.07Å; L536-Y540 VanDerWaalsContact O-N 3.1Å; Q537-Y540 PolarHBondContact O-N 3.39Å; A538-Y540 VanDerWaalsContact C-N 3.34Å; Y540-G542 VanDerWaalsContact C-N 3.3Å; Y540-G542 PolarHBondContact O-N 3.21Å; Y540-G543 PolarHBondContact O-N 3.01Å
541S53.8Low53.1Low92 Ų92103.2 Ų103.264%0.64360%0.595SS**Hα-helixtrans-69.6-25.3177.4-56.90000113.3Q537 A538 G543Q537-S541 PolarHBondContact O-N 2.95Å; Q537-S541 PolarHBondContact O-OG 2.85Å; A538-S541 PolarHBondContact O-N 3.48Å; S541-G543 VanDerWaalsContact C-N 3.32Å
542G43.3Very low50.6Low69 Ų69104.3 Ų104.371%0.71161%0.607SS**THydrogen-bonded Turntrans-78.5-10.4174.400000114.9A538 Y540A538-G542 PolarHBondContact O-N 2.95Å; Y540-G542 VanDerWaalsContact C-N 3.3Å; Y540-G542 PolarHBondContact O-N 3.21Å
543G33.4Very low47.8Very low52 Ų52105.9 Ų105.954%0.53662%0.624SS.*SBendtrans-95.3-11.8-173.400000116.4N539 Y540 S541 P545N539-G543 PolarHBondContact O-N 3.07Å; Y540-G543 PolarHBondContact O-N 3.01Å; S541-G543 VanDerWaalsContact C-N 3.32Å; G543-P545 WeakPolarHBondContact O-CD 3.49Å
544L30.3Very low45.9Very low120 Ų120107.4 Ų107.463%0.62864%0.644SS**  trans-109.4104.4176.6-102.193.8000111.5N546L544-N546 PolarHBondContact O-N 3.21Å
545P34.8Very low43.5Very low115 Ų115111.8 Ų111.875%0.74767%0.668SS**  trans-70.1113.6159.928.2-28.4000108.5G543 S547G543-P545 WeakPolarHBondContact O-CD 3.49Å; P545-S547 PolarHBondContact O-N 3.4Å
546N30.2Very low41.4Very low163 Ų163118.9 Ų118.987%0.87271%0.709SS**  trans19.972.1159.6-66.7-13.5000116.4L544L544-N546 PolarHBondContact O-N 3.21Å
547S29Very low39.6Very low79 Ų79120.3 Ų120.355%0.55272%0.721SS**  trans-108.389.7157.465.50000108.2P545 S549P545-S547 PolarHBondContact O-N 3.4Å; S547-S549 PolarHBondContact O-N 2.84Å; S547-S549 VanDerWaalsContact O-N 3.11Å
548I28.4Very low37.9Very low173 Ų173122.2 Ų122.289%0.88774%0.738SS**  trans-58.7110.2165.4-62.2166.8000106.5
549S28Very low36.4Very low87 Ų87126.2 Ų126.261%0.60876%0.756SS**  trans-141.3139.4158.245.70000108.7S547S547-S549 PolarHBondContact O-N 2.84Å; S547-S549 VanDerWaalsContact O-N 3.11Å
550P32.1Very low34.5Very low120 Ų120126.3 Ų126.378%0.77976%0.761SS**  trans-83.4127.6-157.110.36.5000109.8T552P550-T552 PolarHBondContact O-N 3.36Å
551I32.2Very low32.9Very low167 Ų167122 Ų12286%0.85676%0.761SS**  trans-74111.1170.3-63.7173.8000107.3
552T29.8Very low31.5Very low115 Ų115124 Ų12471%0.70677%0.769SS**  trans-56.4140.3168.430.50000111.5P550 V554P550-T552 PolarHBondContact O-N 3.36Å; T552-V554 PolarHBondContact O-N 3.45Å
553S27Very low30.7Very low109 Ų109127.9 Ų127.976%0.76277%0.773SS**  trans-34.8123.5167.152.50000113.6
554V36.7Very low30.5Very low134 Ų134133.8 Ų133.881%0.81279%0.791SS**  trans-108.6108.7160.1177.40000107T552 T556T552-V554 PolarHBondContact O-N 3.45Å; V554-T556 PolarHBondContact O-N 2.93Å
555N24.8Very low30.5Very low147 Ų147134.9 Ų134.979%0.78681%0.805SS**  trans-58.2120.9163.3-73.1-24.3000109.2
556T33.3Very low30.1Very low210 Ų210136.7 Ų136.7100%1.28881%0.81SS**  171.50124.640.90000108.8V554V554-T556 PolarHBondContact O-N 2.93Å

Retrieved 556 of 556 residues in 100.2 ms (Link to these results)

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