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Vesicle-fusing ATPase

Required for vesicle-mediated transport. Catalyzes the fusion of transport vesicles within the Golgi cisternae. Is also required for transport from the endoplasmic reticulum to the Golgi stack. Seems to function as a fusion protein required for the delivery of cargo proteins to all compartments of the Golgi stack independent of vesicle origin.

AlphaFold DB , UniProt , Accession G4VMW9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 743 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
1M83.8Confident89Confident103 Ų10377 Ų7751%0.50737%0.372SS..  01320-72.1-178.7-17700106.5F3 L30 D76 V77M1-F3 HydrophobicContact CB-CD2 4.03Å; M1-F3 HydrophobicContact CB-CE2 3.58Å; M1-F3 HydrophobicContact CG-CE2 4.47Å; M1-F3 HydrophobicContact SD-CE2 4.09Å; M1-F3 HydrophobicContact SD-CZ 4.48Å; M1-L30 HydrophobicContact SD-CD1 4.36Å; M1-L30 HydrophobicContact SD-CD2 4.32Å; M1-D76 PolarHBondContact N-OD1 2.71Å; M1-V77 WeakPolarHBondContact CB-O 3.23Å; M1-V77 PolarHBondContact N-O 3.43Å; M1-V77 PolarHBondContact O-N 2.78Å
2K88.2Confident88.7Confident193 Ų19381.8 Ų81.884%0.83939%0.394SS*.EExtended strand (participates in β ladder)trans-86124-177.4-68.3-171.8177.5-176.40110.5L75K2-L75 WeakPolarHBondContact CA-O 3.49Å
3F91.3Very high88.5Confident12 Ų1276.5 Ų76.55%0.05337%0.369CS..EExtended strand (participates in β ladder)trans-130.9165.4174-73.3-92.5000110.2M1 F21 D25 G55 V57 L75 V77M1-F3 HydrophobicContact CB-CD2 4.03Å; M1-F3 HydrophobicContact CB-CE2 3.58Å; M1-F3 HydrophobicContact CG-CE2 4.47Å; M1-F3 HydrophobicContact SD-CE2 4.09Å; M1-F3 HydrophobicContact SD-CZ 4.48Å; F3-F21 HydrophobicContact CD1-CD1 4.38Å; F3-F21 HydrophobicContact CD2-CE1 4.38Å; F3-F21 AromaticContact CE1-CD1 3.92Å; F3-F21 HydrophobicContact CE1-CD1 3.92Å; F3-F21 HydrophobicContact CE1-CE1 4.32Å; F3-F21 HydrophobicContact CE2-CD1 4.42Å; F3-F21 HydrophobicContact CE2-CE1 4.08Å; F3-F21 AromaticContact CZ-CD1 3.95Å; F3-F21 HydrophobicContact CZ-CD1 3.95Å; F3-F21 HydrophobicContact CZ-CE1 4.07Å; F3-D25 HydrophobicContact CE1-CB 3.81Å; F3-D25 HydrophobicContact CZ-CB 4.1Å; F3-G55 WeakPolarHBondContact CA-O 3.38Å; F3-V57 HydrophobicContact CB-CG2 3.63Å; F3-V57 HydrophobicContact CD1-CG2 3.76Å; F3-V57 HydrophobicContact CD2-CG2 4.25Å; F3-V57 HydrophobicContact CE1-CG2 4.49Å; F3-V57 HydrophobicContact CG-CG2 3.63Å; F3-L75 PolarHBondContact N-O 3.21Å; F3-L75 PolarHBondContact O-N 2.83Å; F3-V77 HydrophobicContact CB-CG2 4.19Å; F3-V77 HydrophobicContact CD2-CB 3.87Å; F3-V77 HydrophobicContact CD2-CG2 3.67Å; F3-V77 HydrophobicContact CE2-CB 4.3Å; F3-V77 HydrophobicContact CE2-CG2 4.5Å; F3-V77 HydrophobicContact CG-CG2 4.28Å
4F92.5Very high88.3Confident103 Ų10373.1 Ų73.145%0.45236%0.357SS..EExtended strand (participates in β ladder)trans-106.7142.1169.8-65.1-87.9000111.6G55 K56 V57 D72 E73 P74F4-G55 PolarHBondContact N-O 3.28Å; F4-K56 HydrophobicContact CB-CD 4.46Å; F4-K56 HydrophobicContact CB-CG 4.18Å; F4-K56 CarbonylContact O-C 3.53Å; F4-K56 WeakPolarHBondContact O-CA 3.41Å; F4-K56 WeakPolarHBondContact O-CB 3.17Å; F4-V57 PolarHBondContact O-N 2.95Å; F4-D72 WeakPolarHBondContact CD1-O 3.49Å; F4-E73 WeakPolarHBondContact CA-O 3.42Å; F4-P74 HydrophobicContact CD1-CB 4.38Å; F4-P74 HydrophobicContact CE1-CB 4.11Å
5A91.8Very high88.2Confident0 Ų069.2 Ų69.20%034%0.339CS..EExtended strand (participates in β ladder)trans-69.2134.8177.600000112.5V57 F59 I69 S70 D72 E73 L75A5-V57 CarbonylContact C-O 3.56Å; A5-F59 HydrophobicContact CB-CD2 4.33Å; A5-F59 HydrophobicContact CB-CE2 4.15Å; A5-I69 HydrophobicContact CB-CG2 3.48Å; A5-I69 VanDerWaalsContact CB-CG2 3.48Å; A5-S70 WeakPolarHBondContact CB-O 3.42Å; A5-D72 PolarHBondContact O-N 3.49Å; A5-E73 HydrophobicContact CB-CB 4.48Å; A5-E73 PolarHBondContact N-O 3.14Å; A5-L75 HydrophobicContact CB-CD1 3.82Å; A5-L75 HydrophobicContact CB-CG 4.43Å
6A92.3Very high88.2Confident10 Ų1067.5 Ų67.58%0.08333%0.333CS..EExtended strand (participates in β ladder)trans-126.4165.5174.300000111.1K56 V57 A58 F59A6-K56 HydrophobicContact CB-CB 4.03Å; A6-K56 HydrophobicContact CB-CD 4.14Å; A6-V57 PolarHBondContact N-O 3.16Å; A6-A58 HydrophobicContact CB-CB 4.37Å; A6-A58 WeakPolarHBondContact O-CA 3.38Å; A6-F59 PolarHBondContact O-N 3.27Å
7K92.2Very high88.3Confident137 Ų13763.8 Ų63.860%0.59632%0.315SS*.EExtended strand (participates in β ladder)trans-80.8145.7172.5-57-170.9-174.8173.50110.1V71K7-V71 HydrophobicContact CD-CG2 4.41Å; K7-V71 HydrophobicContact CG-CG2 3.81Å
8A88.9Confident88.4Confident20 Ų2064.9 Ų64.917%0.16532%0.316CS..  trans-53.2135.9168.100000110.9N10 V13 S14 F59A8-N10 VanDerWaalsContact C-N 3.33Å; A8-N10 PolarHBondContact O-N 2.96Å; A8-V13 HydrophobicContact CB-CG1 4.32Å; A8-S14 WeakPolarHBondContact CB-OG 3.5Å; A8-F59 PolarHBondContact N-O 3.07Å
9P86.4Confident88.6Confident52 Ų5261.5 Ų61.534%0.33830%0.299SS..SBendtrans-63.4-31.8-177.7-27.436.6000115H51 V52P9-H51 HydrophobicContact CB-CB 3.94Å; P9-H51 HydrophobicContact CG-CB 4.01Å; P9-V52 HydrophobicContact CG-CG2 4.16Å
10N88.3Confident88.8Confident68 Ų6859.5 Ų59.536%0.36429%0.289SS..SBendtrans-150.1173.4179.265.136000111.2A8 E12 V13 S14A8-N10 VanDerWaalsContact C-N 3.33Å; A8-N10 PolarHBondContact O-N 2.96Å; N10-E12 PolarHBondContact OD1-N 2.91Å; N10-V13 VanDerWaalsContact OD1-CB 3.25Å; N10-V13 WeakPolarHBondContact OD1-CB 3.33Å; N10-V13 WeakPolarHBondContact OD1-CG2 3.24Å; N10-V13 PolarHBondContact OD1-N 3.45Å; N10-S14 PolarHBondContact O-N 3.39Å; N10-S14 PolarHBondContact O-OG 3.45Å
11E83.1Confident88.9Confident149 Ų14956.7 Ų56.770%0.69628%0.275SS*.Hα-helixtrans-69.1-34.8179.8-69-168.9167.600113.1V13 S14 L15E11-V13 PolarHBondContact O-N 3.05Å; E11-S14 WeakPolarHBondContact O-CA 3.23Å; E11-S14 VanDerWaalsContact O-CB 3.32Å; E11-S14 WeakPolarHBondContact O-CB 3.25Å; E11-S14 PolarHBondContact O-N 2.75Å; E11-S14 VanDerWaalsContact O-N 3.09Å; E11-L15 WeakPolarHBondContact O-CG 3.44Å; E11-L15 PolarHBondContact O-N 3.04Å; E11-L15 VanDerWaalsContact O-N 3.16Å
12E85.7Confident89.3Confident135 Ų13552.8 Ų52.863%0.63126%0.256SS*.Hα-helixtrans-62.4-44.2-179.3-63.8-170.1157.500111.6N10 S14 L15N10-E12 PolarHBondContact OD1-N 2.91Å; E12-S14 VanDerWaalsContact C-N 3.25Å; E12-S14 PolarHBondContact O-N 3.03Å; E12-L15 WeakPolarHBondContact O-CB 3.44Å; E12-L15 PolarHBondContact O-N 2.93Å; E12-L15 VanDerWaalsContact O-N 3.09Å
13V86.4Confident89.3Confident13 Ų1346.2 Ų46.28%0.07923%0.233CC..Hα-helixtrans-59.7-39.3174.2173.40000110.3A8 N10 E11 L15 T16 F20A8-V13 HydrophobicContact CB-CG1 4.32Å; N10-V13 VanDerWaalsContact OD1-CB 3.25Å; N10-V13 WeakPolarHBondContact OD1-CB 3.33Å; N10-V13 WeakPolarHBondContact OD1-CG2 3.24Å; N10-V13 PolarHBondContact OD1-N 3.45Å; E11-V13 PolarHBondContact O-N 3.05Å; V13-L15 VanDerWaalsContact C-N 3.26Å; V13-L15 PolarHBondContact O-N 3.03Å; V13-T16 PolarHBondContact O-N 3.35Å; V13-T16 PolarHBondContact O-OG1 2.68Å; V13-F20 HydrophobicContact CB-CE2 4.3Å; V13-F20 HydrophobicContact CG1-CD1 4.39Å; V13-F20 HydrophobicContact CG1-CD2 3.25Å; V13-F20 HydrophobicContact CG1-CE1 4.28Å; V13-F20 HydrophobicContact CG1-CE2 3.15Å; V13-F20 HydrophobicContact CG1-CG 3.9Å; V13-F20 HydrophobicContact CG1-CZ 3.69Å
14S85.9Confident89.2Confident29 Ų2953.4 Ų53.420%0.20326%0.264CS..Hα-helixtrans-65.5-25.3177.3-59.40000113.7A8 N10 E11 E12A8-S14 WeakPolarHBondContact CB-OG 3.5Å; N10-S14 PolarHBondContact O-N 3.39Å; N10-S14 PolarHBondContact O-OG 3.45Å; E11-S14 WeakPolarHBondContact O-CA 3.23Å; E11-S14 VanDerWaalsContact O-CB 3.32Å; E11-S14 WeakPolarHBondContact O-CB 3.25Å; E11-S14 PolarHBondContact O-N 2.75Å; E11-S14 VanDerWaalsContact O-N 3.09Å; E12-S14 VanDerWaalsContact C-N 3.25Å; E12-S14 PolarHBondContact O-N 3.03Å
15L87Confident89Confident14 Ų1450 Ų507%0.07325%0.251CS..THydrogen-bonded Turntrans-83.8-10179.1-68.1169.9000114E11 E12 V13 N17 Q121 F122 L134 R136 T141E11-L15 WeakPolarHBondContact O-CG 3.44Å; E11-L15 PolarHBondContact O-N 3.04Å; E11-L15 VanDerWaalsContact O-N 3.16Å; E12-L15 WeakPolarHBondContact O-CB 3.44Å; E12-L15 PolarHBondContact O-N 2.93Å; E12-L15 VanDerWaalsContact O-N 3.09Å; V13-L15 VanDerWaalsContact C-N 3.26Å; V13-L15 PolarHBondContact O-N 3.03Å; L15-N17 VanDerWaalsContact C-N 3.3Å; L15-Q121 PolarHBondContact O-NE2 2.87Å; L15-Q121 VanDerWaalsContact O-NE2 3.1Å; L15-F122 VanDerWaalsContact O-CE1 3.29Å; L15-F122 WeakPolarHBondContact O-CE1 3.33Å; L15-F122 WeakPolarHBondContact O-CZ 3.3Å; L15-L134 HydrophobicContact CD2-CB 3.74Å; L15-R136 HydrophobicContact CD1-CB 4.36Å; L15-T141 HydrophobicContact CD2-CG2 4.38Å
16T87.5Confident88.7Confident42 Ų4252.9 Ų52.926%0.25826%0.263SS..THydrogen-bonded Turntrans-79.6-14.4178.165.70000113.2V13 R18 F20V13-T16 PolarHBondContact O-N 3.35Å; V13-T16 PolarHBondContact O-OG1 2.68Å; T16-R18 PolarHBondContact O-N 3.22Å; T16-R18 VanDerWaalsContact O-N 3.14Å; T16-R18 PolarHBondContact OG1-N 3.1Å; T16-F20 WeakPolarHBondContact OG1-CE2 3.29Å; T16-F20 WeakPolarHBondContact OG1-CZ 3.5Å
17N89.5Confident88.3Confident5 Ų555.5 Ų55.53%0.02728%0.276CS..THydrogen-bonded Turntrans52.826.4-170.1-165.433.6000114.1L15 Q63 F122 Q131 I133L15-N17 VanDerWaalsContact C-N 3.3Å; N17-Q63 PolarHBondContact O-NE2 2.81Å; N17-Q63 PolarHBondContact OD1-NE2 2.75Å; N17-F122 HydrophobicContact CB-CD1 4.05Å; N17-F122 HydrophobicContact CB-CE1 3.75Å; N17-Q131 PolarHBondContact ND2-NE2 2.78Å; N17-I133 HydrophobicContact CB-CG2 4.15Å; N17-I133 WeakPolarHBondContact ND2-CD1 3.33Å
18R90.4Very high87.5Confident84 Ų8457.6 Ų57.632%0.31729%0.288SS..EExtended strand (participates in β ladder)trans-99.4157.4172.5-61.3-179.4-179.6176.6-0110.8T16 F20 R45 Q63T16-R18 PolarHBondContact O-N 3.22Å; T16-R18 VanDerWaalsContact O-N 3.14Å; T16-R18 PolarHBondContact OG1-N 3.1Å; R18-F20 HydrophobicContact CB-CD2 4.37Å; R18-F20 HydrophobicContact CB-CE2 3.59Å; R18-F20 HydrophobicContact CB-CZ 3.74Å; R18-F20 WeakPolarHBondContact O-CE2 3.25Å; R18-R45 CarbonylContact C-O 3.59Å; R18-R45 VanDerWaalsContact CA-O 3.25Å; R18-R45 WeakPolarHBondContact CA-O 3.45Å; R18-R45 WeakPolarHBondContact CB-O 3.22Å; R18-R45 HydrophobicContact CG-CB 4.14Å; R18-R45 HydrophobicContact CG-CG 4.19Å; R18-Q63 PolarHBondContact O-NE2 3.11Å; R18-Q63 VanDerWaalsContact O-NE2 3.11Å; R18-Q63 PolarHBondContact O-OE1 3.5Å
19V91.9Very high86.9Confident0 Ų064.1 Ų64.10%031%0.313CS..EExtended strand (participates in β ladder)trans-102.3136.1169.2-65.30000108.6F21 V33 I35 F44 R45 G46 G47 V57 F59V19-F21 HydrophobicContact CG2-CE2 3.98Å; V19-F21 HydrophobicContact CG2-CZ 4.42Å; V19-V33 HydrophobicContact CG2-CG2 3.63Å; V19-I35 HydrophobicContact CG1-CD1 4.24Å; V19-I35 HydrophobicContact CG2-CD1 4.37Å; V19-F44 HydrophobicContact CB-CB 4.29Å; V19-F44 HydrophobicContact CG1-CB 3.62Å; V19-F44 HydrophobicContact CG1-CD1 4.11Å; V19-F44 HydrophobicContact CG1-CD2 3.88Å; V19-F44 HydrophobicContact CG1-CG 3.61Å; V19-F44 HydrophobicContact CG2-CB 3.72Å; V19-R45 PolarHBondContact N-O 3.16Å; V19-G46 CarbonylContact O-C 3.48Å; V19-G46 VanDerWaalsContact O-CA 3.31Å; V19-G46 WeakPolarHBondContact O-CA 3.48Å; V19-G47 PolarHBondContact O-N 3.43Å; V19-V57 HydrophobicContact CB-CG1 3.84Å; V19-V57 HydrophobicContact CG2-CG1 4.33Å; V19-F59 HydrophobicContact CB-CE1 4.42Å; V19-F59 HydrophobicContact CG1-CD1 3.52Å; V19-F59 HydrophobicContact CG1-CE1 3.49Å; V19-F59 VanDerWaalsContact CG1-CE1 3.49Å; V19-F59 HydrophobicContact CG1-CG 4.45Å; V19-F59 HydrophobicContact CG1-CZ 4.39Å
20F92.6Very high86.4Confident21 Ų2161.6 Ų61.69%0.09230%0.297CS..EExtended strand (participates in β ladder)trans-113132.2-170.5-66.7-95.8000111.4V13 T16 R18 G47 H49 V52 V57 A58V13-F20 HydrophobicContact CB-CE2 4.3Å; V13-F20 HydrophobicContact CG1-CD1 4.39Å; V13-F20 HydrophobicContact CG1-CD2 3.25Å; V13-F20 HydrophobicContact CG1-CE1 4.28Å; V13-F20 HydrophobicContact CG1-CE2 3.15Å; V13-F20 HydrophobicContact CG1-CG 3.9Å; V13-F20 HydrophobicContact CG1-CZ 3.69Å; T16-F20 WeakPolarHBondContact OG1-CE2 3.29Å; T16-F20 WeakPolarHBondContact OG1-CZ 3.5Å; R18-F20 HydrophobicContact CB-CD2 4.37Å; R18-F20 HydrophobicContact CB-CE2 3.59Å; R18-F20 HydrophobicContact CB-CZ 3.74Å; R18-F20 WeakPolarHBondContact O-CE2 3.25Å; F20-G47 CarbonylContact C-O 3.55Å; F20-G47 WeakPolarHBondContact CA-O 3.38Å; F20-H49 HydrophobicContact CB-CB 4.03Å; F20-H49 HydrophobicContact CD1-CB 3.78Å; F20-H49 HydrophobicContact CG-CB 4.2Å; F20-V52 HydrophobicContact CB-CG2 3.94Å; F20-V57 CarbonylContact O-C 3.58Å; F20-V57 WeakPolarHBondContact O-CA 3.05Å; F20-A58 HydrophobicContact CB-CB 4.35Å; F20-A58 PolarHBondContact N-O 3.3Å; F20-A58 VanDerWaalsContact N-O 3.09Å; F20-A58 PolarHBondContact O-N 3.17Å
21F92.2Very high86.1Confident0 Ų061 Ų610%030%0.298CS..EExtended strand (participates in β ladder)trans-105.5161.9176.6-61.4-95.3000109.7F3 V19 F26 L30 V33 G47 S48 H49 V57 V77F3-F21 HydrophobicContact CD1-CD1 4.38Å; F3-F21 HydrophobicContact CD2-CE1 4.38Å; F3-F21 AromaticContact CE1-CD1 3.92Å; F3-F21 HydrophobicContact CE1-CD1 3.92Å; F3-F21 HydrophobicContact CE1-CE1 4.32Å; F3-F21 HydrophobicContact CE2-CD1 4.42Å; F3-F21 HydrophobicContact CE2-CE1 4.08Å; F3-F21 AromaticContact CZ-CD1 3.95Å; F3-F21 HydrophobicContact CZ-CD1 3.95Å; F3-F21 HydrophobicContact CZ-CE1 4.07Å; V19-F21 HydrophobicContact CG2-CE2 3.98Å; V19-F21 HydrophobicContact CG2-CZ 4.42Å; F21-F26 HydrophobicContact CB-CB 4.05Å; F21-F26 HydrophobicContact CB-CD2 4.2Å; F21-F26 AromaticContact CD2-CD2 3.8Å; F21-F26 HydrophobicContact CD2-CD2 3.8Å; F21-F26 HydrophobicContact CD2-CE2 4.33Å; F21-F26 HydrophobicContact CG-CD2 4.26Å; F21-L30 HydrophobicContact CD1-CD1 4.43Å; F21-L30 HydrophobicContact CE1-CD1 4.4Å; F21-V33 HydrophobicContact CE2-CG1 4.3Å; F21-V33 HydrophobicContact CE2-CG2 4.33Å; F21-V33 HydrophobicContact CZ-CG1 4.01Å; F21-V33 HydrophobicContact CZ-CG2 4.13Å; F21-G47 PolarHBondContact N-O 2.93Å; F21-S48 WeakPolarHBondContact O-CA 3.3Å; F21-H49 PolarHBondContact O-N 3.49Å; F21-V57 HydrophobicContact CD1-CG2 3.51Å; F21-V57 HydrophobicContact CE1-CB 4.31Å; F21-V57 HydrophobicContact CE1-CG1 4.16Å; F21-V57 HydrophobicContact CE1-CG2 3.19Å; F21-V57 HydrophobicContact CE2-CG1 4.48Å; F21-V57 HydrophobicContact CG-CG2 4.45Å; F21-V57 HydrophobicContact CZ-CG1 4.11Å; F21-V57 HydrophobicContact CZ-CG2 3.93Å; F21-V77 HydrophobicContact CE1-CG1 4.08Å; F21-V77 HydrophobicContact CZ-CG1 3.9Å
22N91.5Very high86.3Confident22 Ų2254.5 Ų54.512%0.11827%0.268CS..  trans-63.6141.8165.3-173-80.4000109.5K24 D25 F26 V52 Q54N22-K24 PolarHBondContact O-N 2.88Å; N22-K24 WeakPolarHBondContact OD1-CB 3.36Å; N22-K24 PolarHBondContact OD1-N 3.5Å; N22-D25 PolarHBondContact O-N 3.07Å; N22-F26 PolarHBondContact O-N 3.12Å; N22-V52 WeakPolarHBondContact CB-O 3.42Å; N22-V52 PolarHBondContact ND2-O 3.07Å; N22-Q54 HydrophobicContact CB-CB 4.45Å
23P88.8Confident86.5Confident54 Ų5448 Ų4835%0.35124%0.238SC..THydrogen-bonded Turntrans-52.9-27.3177.1-26.332.1000114.9D50P23-D50 VanDerWaalsContact CG-OD1 3.23Å; P23-D50 WeakPolarHBondContact CG-OD1 3.44Å
24K88Confident86.7Confident163 Ų16347.5 Ų47.571%0.70924%0.235SC*.THydrogen-bonded Turntrans-76-25.2176.4-65.3179.7177.6178.80114N22N22-K24 PolarHBondContact O-N 2.88Å; N22-K24 WeakPolarHBondContact OD1-CB 3.36Å; N22-K24 PolarHBondContact OD1-N 3.5Å
25D87.9Confident86.9Confident33 Ų3346.1 Ų46.118%0.17623%0.226CC..THydrogen-bonded Turntrans-96.2-21.1-179.4-58.5-33.1000111.9F3 N22 L30 Q54 G55F3-D25 HydrophobicContact CE1-CB 3.81Å; F3-D25 HydrophobicContact CZ-CB 4.1Å; N22-D25 PolarHBondContact O-N 3.07Å; D25-L30 VanDerWaalsContact O-CD1 3.24Å; D25-L30 WeakPolarHBondContact O-CD1 3.33Å; D25-Q54 VanDerWaalsContact OD1-CG 3.3Å; D25-Q54 WeakPolarHBondContact OD1-CG 3.39Å; D25-Q54 PolarHBondContact OD1-NE2 2.72Å; D25-Q54 WeakPolarHBondContact OD2-CA 2.99Å; D25-Q54 WeakPolarHBondContact OD2-CG 3.39Å; D25-G55 PolarHBondContact OD2-N 3.44Å
26F85.4Confident86.8Confident59 Ų5948.4 Ų48.426%0.25924%0.236SC..  trans-78.1133.8-178.5-170.5-107.5000112.1F21 N22 L30F21-F26 HydrophobicContact CB-CB 4.05Å; F21-F26 HydrophobicContact CB-CD2 4.2Å; F21-F26 AromaticContact CD2-CD2 3.8Å; F21-F26 HydrophobicContact CD2-CD2 3.8Å; F21-F26 HydrophobicContact CD2-CE2 4.33Å; F21-F26 HydrophobicContact CG-CD2 4.26Å; N22-F26 PolarHBondContact O-N 3.12Å; F26-L30 HydrophobicContact CD2-CB 4.07Å; F26-L30 HydrophobicContact CE2-CB 4.13Å; F26-L30 WeakPolarHBondContact CE2-O 3.37Å
27N84.2Confident86.6Confident65 Ų6547.5 Ų47.535%0.34823%0.23SC..  trans-140.8170.7169.863.234.8000109.7K29 L30N27-K29 PolarHBondContact O-N 3.25Å; N27-K29 VanDerWaalsContact O-N 3.12Å; N27-K29 WeakPolarHBondContact OD1-CA 3.38Å; N27-K29 VanDerWaalsContact OD1-CB 3.29Å; N27-K29 WeakPolarHBondContact OD1-CB 3.4Å; N27-K29 PolarHBondContact OD1-N 2.98Å; N27-K29 VanDerWaalsContact OD1-N 3.07Å; N27-L30 WeakPolarHBondContact O-CA 3.46Å; N27-L30 WeakPolarHBondContact O-CB 3.42Å; N27-L30 PolarHBondContact O-N 3.21Å; N27-L30 PolarHBondContact OD1-N 3.4Å; N27-L30 VanDerWaalsContact OD1-N 3.17Å
28E76.5Confident85.9Confident181 Ų18152.4 Ų52.485%0.84627%0.271SS*.G310 helixtrans-58.4-27.7-179-68-176.2165.700113.6L30 S31E28-L30 PolarHBondContact O-N 3.38Å; E28-S31 VanDerWaalsContact O-CB 3.25Å; E28-S31 WeakPolarHBondContact O-CB 3.49Å; E28-S31 PolarHBondContact O-N 2.83Å; E28-S31 VanDerWaalsContact O-N 3.16Å; E28-S31 PolarHBondContact O-OG 2.83Å
29K75.4Confident85Confident157 Ų15751.8 Ų51.868%0.68328%0.284SS*.G310 helixtrans-68.4-19.3175.6-56.9-177.7177.3-179.70112.5N27 P79N27-K29 PolarHBondContact O-N 3.25Å; N27-K29 VanDerWaalsContact O-N 3.12Å; N27-K29 WeakPolarHBondContact OD1-CA 3.38Å; N27-K29 VanDerWaalsContact OD1-CB 3.29Å; N27-K29 WeakPolarHBondContact OD1-CB 3.4Å; N27-K29 PolarHBondContact OD1-N 2.98Å; N27-K29 VanDerWaalsContact OD1-N 3.07Å; K29-P79 HydrophobicContact CB-CG 4.32Å; K29-P79 WeakPolarHBondContact O-CB 3.34Å
30L77.2Confident84.5Confident0 Ų056.7 Ų56.70%031%0.31CS..G310 helixtrans-9614.3175.7-62.6173.5000112.5M1 F21 D25 F26 N27 E28 C32 V33 G46 V77M1-L30 HydrophobicContact SD-CD1 4.36Å; M1-L30 HydrophobicContact SD-CD2 4.32Å; F21-L30 HydrophobicContact CD1-CD1 4.43Å; F21-L30 HydrophobicContact CE1-CD1 4.4Å; D25-L30 VanDerWaalsContact O-CD1 3.24Å; D25-L30 WeakPolarHBondContact O-CD1 3.33Å; F26-L30 HydrophobicContact CD2-CB 4.07Å; F26-L30 HydrophobicContact CE2-CB 4.13Å; F26-L30 WeakPolarHBondContact CE2-O 3.37Å; N27-L30 WeakPolarHBondContact O-CA 3.46Å; N27-L30 WeakPolarHBondContact O-CB 3.42Å; N27-L30 PolarHBondContact O-N 3.21Å; N27-L30 PolarHBondContact OD1-N 3.4Å; N27-L30 VanDerWaalsContact OD1-N 3.17Å; E28-L30 PolarHBondContact O-N 3.38Å; L30-C32 VanDerWaalsContact C-N 3.29Å; L30-C32 PolarHBondContact O-N 3.12Å; L30-V33 HydrophobicContact CB-CG1 3.97Å; L30-V33 HydrophobicContact CD2-CG1 3.6Å; L30-V33 HydrophobicContact CG-CG1 4.4Å; L30-G46 WeakPolarHBondContact O-CA 3.45Å; L30-V77 HydrophobicContact CD2-CG1 4.34Å
31S81.4Confident84.3Confident56 Ų5660.1 Ų60.139%0.39233%0.325SS..SBendtrans-60.6-37.7173.653.70000112.6E28 G46E28-S31 VanDerWaalsContact O-CB 3.25Å; E28-S31 WeakPolarHBondContact O-CB 3.49Å; E28-S31 PolarHBondContact O-N 2.83Å; E28-S31 VanDerWaalsContact O-N 3.16Å; E28-S31 PolarHBondContact O-OG 2.83Å; S31-G46 PolarHBondContact O-N 3.46Å
32C86.2Confident84.2Confident11 Ų1161.3 Ų61.37%0.07433%0.33CS..EExtended strand (participates in β ladder)trans-128.9131168-750000108.7L30 Y80 F82L30-C32 VanDerWaalsContact C-N 3.29Å; L30-C32 PolarHBondContact O-N 3.12Å; C32-Y80 WeakPolarHBondContact CB-O 3.36Å; C32-Y80 PolarHBondContact O-N 3.09Å; C32-F82 HydrophobicContact CB-CD2 4.33Å; C32-F82 HydrophobicContact CB-CE2 4.18Å
33V90.7Very high84.2Confident0 Ų060.5 Ų60.50%033%0.326CS..EExtended strand (participates in β ladder)trans-130.6137.9-173.8-66.20000111.1V19 F21 L30 I35 V43 F44 V77 Q78V19-V33 HydrophobicContact CG2-CG2 3.63Å; F21-V33 HydrophobicContact CE2-CG1 4.3Å; F21-V33 HydrophobicContact CE2-CG2 4.33Å; F21-V33 HydrophobicContact CZ-CG1 4.01Å; F21-V33 HydrophobicContact CZ-CG2 4.13Å; L30-V33 HydrophobicContact CB-CG1 3.97Å; L30-V33 HydrophobicContact CD2-CG1 3.6Å; L30-V33 HydrophobicContact CG-CG1 4.4Å; V33-I35 HydrophobicContact CG2-CD1 4.23Å; V33-I35 HydrophobicContact CG2-CG1 4.19Å; V33-V43 WeakPolarHBondContact O-CA 3.42Å; V33-F44 HydrophobicContact CG2-CB 4.46Å; V33-F44 PolarHBondContact N-O 3.39Å; V33-F44 PolarHBondContact O-N 2.86Å; V33-V77 HydrophobicContact CB-CG1 3.77Å; V33-V77 HydrophobicContact CG1-CG1 3.84Å; V33-V77 HydrophobicContact CG2-CG1 4.31Å; V33-Q78 CarbonylContact C-O 3.49Å; V33-Q78 WeakPolarHBondContact CA-O 3.48Å
34A90.6Very high84.4Confident2 Ų258 Ų582%0.01731%0.309CS..EExtended strand (participates in β ladder)trans-95.7123.1165.300000109.1K41 Y42 V43 Q78 Y80A34-K41 HydrophobicContact CB-CD 4.4Å; A34-K41 VanDerWaalsContact CB-CE 3.43Å; A34-K41 HydrophobicContact CB-CG 4.17Å; A34-Y42 CarbonylContact C-O 3.56Å; A34-Y42 WeakPolarHBondContact CA-O 3.25Å; A34-V43 HydrophobicContact CB-CG2 4.36Å; A34-Q78 PolarHBondContact N-O 3.02Å; A34-Q78 PolarHBondContact O-N 3.37Å; A34-Y80 HydrophobicContact CB-CD2 4.02Å; A34-Y80 HydrophobicContact CB-CG 4.48Å
35I89.4Confident84.5Confident0 Ų053.1 Ų53.10%029%0.287CS..EExtended strand (participates in β ladder)trans-108.8115.1-179.3-57.4-178.7000106.8V19 V33 Y42 F44 F59 L75 V77V19-I35 HydrophobicContact CG1-CD1 4.24Å; V19-I35 HydrophobicContact CG2-CD1 4.37Å; V33-I35 HydrophobicContact CG2-CD1 4.23Å; V33-I35 HydrophobicContact CG2-CG1 4.19Å; I35-Y42 PolarHBondContact N-O 3.09Å; I35-Y42 PolarHBondContact O-N 3.41Å; I35-F44 HydrophobicContact CD1-CD2 3.65Å; I35-F44 HydrophobicContact CD1-CE2 4.18Å; I35-F44 HydrophobicContact CG1-CD2 4.23Å; I35-F59 HydrophobicContact CD1-CE1 3.47Å; I35-F59 VanDerWaalsContact CD1-CE1 3.47Å; I35-F59 HydrophobicContact CD1-CZ 3.49Å; I35-F59 VanDerWaalsContact CD1-CZ 3.49Å; I35-F59 HydrophobicContact CG2-CZ 4.38Å; I35-L75 HydrophobicContact CG2-CB 4.26Å; I35-L75 HydrophobicContact CG2-CD1 4.06Å; I35-L75 HydrophobicContact CG2-CD2 4.15Å; I35-L75 HydrophobicContact CG2-CG 4.41Å; I35-V77 HydrophobicContact CG1-CG1 4.5Å; I35-V77 HydrophobicContact CG1-CG2 4.39Å
36H86.6Confident84.6Confident61 Ų6151.9 Ų51.928%0.28228%0.282SS..EExtended strand (participates in β ladder)trans-92.1117.3178-59.285.7000108.2D76 Q78H36-D76 PolarHBondContact N-O 3.44Å; H36-Q78 VanDerWaalsContact CE1-CD 3.5Å; H36-Q78 PolarHBondContact CE1-OE1 2.92Å
37T82Confident84.7Confident23 Ų2349.5 Ų49.514%0.14127%0.274CS..  trans-101.4177168.474.90000109.2A39 D40 Y42 I69 L75T37-A39 PolarHBondContact O-N 3.2Å; T37-A39 VanDerWaalsContact O-N 3.15Å; T37-A39 PolarHBondContact OG1-N 3.36Å; T37-D40 PolarHBondContact N-O 3.34Å; T37-D40 VanDerWaalsContact N-O 3.07Å; T37-D40 PolarHBondContact OG1-N 2.95Å; T37-D40 PolarHBondContact OG1-O 3.23Å; T37-Y42 HydrophobicContact CG2-CD2 3.97Å; T37-Y42 HydrophobicContact CG2-CE2 4.05Å; T37-Y42 WeakPolarHBondContact OG1-CE2 3.31Å; T37-I69 HydrophobicContact CG2-CD1 4.1Å; T37-I69 HydrophobicContact CG2-CG1 3.73Å; T37-L75 HydrophobicContact CG2-CD2 4.07Å
38A74.4Confident85Confident108 Ų10849.3 Ų49.389%0.89328%0.278SS*.SBendtrans-61.6-19174.600000113.5
39A72.3Confident85.7Confident72 Ų7242.5 Ų42.560%0.59525%0.246SC*.SBendtrans-98.6-48.2-174.200000113.3T37T37-A39 PolarHBondContact O-N 3.2Å; T37-A39 VanDerWaalsContact O-N 3.15Å; T37-A39 PolarHBondContact OG1-N 3.36Å
40D82.1Confident86.3Confident102 Ų10241.3 Ų41.355%0.54525%0.247SC..  trans-160.6176.7-173.9-148.7-17.4000112T37 Y42T37-D40 PolarHBondContact N-O 3.34Å; T37-D40 VanDerWaalsContact N-O 3.07Å; T37-D40 PolarHBondContact OG1-N 2.95Å; T37-D40 PolarHBondContact OG1-O 3.23Å; D40-Y42 HydrophobicContact CB-CE2 3.79Å; D40-Y42 WeakPolarHBondContact O-CD2 3.32Å; D40-Y42 WeakPolarHBondContact O-CE2 3.44Å
41K87.9Confident86.9Confident93 Ų9348.3 Ų48.340%0.40428%0.279SS..EExtended strand (participates in β ladder)trans-96.1118.8173178.7-174.9177.3-177.50110.2A34A34-K41 HydrophobicContact CB-CD 4.4Å; A34-K41 VanDerWaalsContact CB-CE 3.43Å; A34-K41 HydrophobicContact CB-CG 4.17Å
42Y90.8Very high87.3Confident25 Ų2545.8 Ų45.810%0.09826%0.261CS..EExtended strand (participates in β ladder)trans-111.9132.8178.5-57.5-87.7000110.5A34 I35 T37 D40 F44 W66A34-Y42 CarbonylContact C-O 3.56Å; A34-Y42 WeakPolarHBondContact CA-O 3.25Å; I35-Y42 PolarHBondContact N-O 3.09Å; I35-Y42 PolarHBondContact O-N 3.41Å; T37-Y42 HydrophobicContact CG2-CD2 3.97Å; T37-Y42 HydrophobicContact CG2-CE2 4.05Å; T37-Y42 WeakPolarHBondContact OG1-CE2 3.31Å; D40-Y42 HydrophobicContact CB-CE2 3.79Å; D40-Y42 WeakPolarHBondContact O-CD2 3.32Å; D40-Y42 WeakPolarHBondContact O-CE2 3.44Å; Y42-F44 VanDerWaalsContact CB-CE2 3.48Å; Y42-F44 HydrophobicContact CG-CE2 4.5Å; Y42-W66 AromaticContact CD1-CD2 3.94Å; Y42-W66 HydrophobicContact CD1-CD2 3.94Å; Y42-W66 AromaticContact CD1-CE2 3.89Å; Y42-W66 AromaticContact CD1-CE3 3.81Å; Y42-W66 HydrophobicContact CD1-CE3 3.81Å; Y42-W66 AromaticContact CD1-CH2 3.7Å; Y42-W66 HydrophobicContact CD1-CH2 3.7Å; Y42-W66 AromaticContact CD1-CZ2 3.8Å; Y42-W66 HydrophobicContact CD1-CZ2 3.8Å; Y42-W66 AromaticContact CD1-CZ3 3.7Å; Y42-W66 HydrophobicContact CD1-CZ3 3.7Å; Y42-W66 HydrophobicContact CE1-CD2 4.09Å; Y42-W66 AromaticContact CE1-CE2 3.93Å; Y42-W66 HydrophobicContact CE1-CE3 4.41Å; Y42-W66 HydrophobicContact CE1-CZ2 4.17Å; Y42-W66 HydrophobicContact CG-CZ3 4.45Å
43V91.4Very high87.5Confident5 Ų548.5 Ų48.53%0.0328%0.279CS..EExtended strand (participates in β ladder)trans-107.8129.7-179-176.40000109.6V33 A34 Y80 F82 P126 I164V33-V43 WeakPolarHBondContact O-CA 3.42Å; A34-V43 HydrophobicContact CB-CG2 4.36Å; V43-Y80 HydrophobicContact CG1-CD1 3.92Å; V43-Y80 HydrophobicContact CG1-CE1 4.44Å; V43-Y80 HydrophobicContact CG1-CG 4Å; V43-Y80 HydrophobicContact CG2-CD2 4.07Å; V43-Y80 HydrophobicContact CG2-CE2 4.18Å; V43-Y80 HydrophobicContact CG2-CG 4.3Å; V43-F82 HydrophobicContact CG1-CE2 3.95Å; V43-F82 HydrophobicContact CG1-CZ 3.77Å; V43-P126 HydrophobicContact CG1-CB 4.12Å; V43-P126 HydrophobicContact CG1-CG 4.15Å; V43-I164 HydrophobicContact CB-CD1 3.56Å; V43-I164 HydrophobicContact CG1-CD1 4Å; V43-I164 HydrophobicContact CG2-CD1 3.53Å
44F91.7Very high87.5Confident1 Ų154.2 Ų54.20%0.00431%0.306CS..EExtended strand (participates in β ladder)trans-134.5156180-61.7-78.5000111.1V19 V33 I35 Y42 F59 Q63 W66V19-F44 HydrophobicContact CB-CB 4.29Å; V19-F44 HydrophobicContact CG1-CB 3.62Å; V19-F44 HydrophobicContact CG1-CD1 4.11Å; V19-F44 HydrophobicContact CG1-CD2 3.88Å; V19-F44 HydrophobicContact CG1-CG 3.61Å; V19-F44 HydrophobicContact CG2-CB 3.72Å; V33-F44 HydrophobicContact CG2-CB 4.46Å; V33-F44 PolarHBondContact N-O 3.39Å; V33-F44 PolarHBondContact O-N 2.86Å; I35-F44 HydrophobicContact CD1-CD2 3.65Å; I35-F44 HydrophobicContact CD1-CE2 4.18Å; I35-F44 HydrophobicContact CG1-CD2 4.23Å; Y42-F44 VanDerWaalsContact CB-CE2 3.48Å; Y42-F44 HydrophobicContact CG-CE2 4.5Å; F44-F59 HydrophobicContact CD2-CE1 4.45Å; F44-F59 HydrophobicContact CE2-CE1 4.23Å; F44-Q63 HydrophobicContact CD1-CG 4.42Å; F44-Q63 HydrophobicContact CE1-CB 4.08Å; F44-Q63 HydrophobicContact CE1-CG 3.83Å; F44-Q63 HydrophobicContact CZ-CB 4.27Å; F44-W66 AromaticContact CE1-CE3 3.95Å; F44-W66 HydrophobicContact CE1-CE3 3.95Å; F44-W66 AromaticContact CE1-CZ3 3.69Å; F44-W66 HydrophobicContact CE1-CZ3 3.69Å; F44-W66 AromaticContact CZ-CE3 3.77Å; F44-W66 HydrophobicContact CZ-CE3 3.77Å; F44-W66 AromaticContact CZ-CZ3 3.62Å; F44-W66 HydrophobicContact CZ-CZ3 3.62Å
45R89.7Confident87.4Confident61 Ų6155.4 Ų55.423%0.2332%0.319CS..EExtended strand (participates in β ladder)trans-80.3127.4166.8-178138.5-179.8150.7-10.3109.6R18 V19 D124R18-R45 CarbonylContact C-O 3.59Å; R18-R45 VanDerWaalsContact CA-O 3.25Å; R18-R45 WeakPolarHBondContact CA-O 3.45Å; R18-R45 WeakPolarHBondContact CB-O 3.22Å; R18-R45 HydrophobicContact CG-CB 4.14Å; R18-R45 HydrophobicContact CG-CG 4.19Å; V19-R45 PolarHBondContact N-O 3.16Å; R45-D124 WeakPolarHBondContact CD-O 3.46Å; R45-D124 PolarHBondContact NH1-O 3.47Å; R45-D124 IonicContact NH2-OD2 3.29Å
46G89.9Confident87.6Confident7 Ų758.2 Ų58.27%0.07233%0.331CS..EExtended strand (participates in β ladder)trans-84.2149.9176.200000112.4V19 L30 S31V19-G46 CarbonylContact O-C 3.48Å; V19-G46 VanDerWaalsContact O-CA 3.31Å; V19-G46 WeakPolarHBondContact O-CA 3.48Å; L30-G46 WeakPolarHBondContact O-CA 3.45Å; S31-G46 PolarHBondContact O-N 3.46Å
47G89.1Confident87.8Confident10 Ų1055.3 Ų55.310%0.10332%0.317CS..EExtended strand (participates in β ladder)trans-145171.4167.700000111V19 F20 F21V19-G47 PolarHBondContact O-N 3.43Å; F20-G47 CarbonylContact C-O 3.55Å; F20-G47 WeakPolarHBondContact CA-O 3.38Å; F21-G47 PolarHBondContact N-O 2.93Å
48S90.6Very high88.4Confident60 Ų6054.3 Ų54.342%0.4231%0.311SS..EExtended strand (participates in β ladder)trans-103.6145172.255.20000110.8F21F21-S48 WeakPolarHBondContact O-CA 3.3Å
49H90.9Very high89.2Confident39 Ų3949.2 Ų49.218%0.18127%0.269CS..  trans-150.6130.5172.1-171.4-78000111F20 F21 H51 V52F20-H49 HydrophobicContact CB-CB 4.03Å; F20-H49 HydrophobicContact CD1-CB 3.78Å; F20-H49 HydrophobicContact CG-CB 4.2Å; F21-H49 PolarHBondContact O-N 3.49Å; H49-H51 AromaticContact CE1-CG 3.75Å; H49-H51 AromaticContact CE1-ND1 3.21Å; H49-H51 PolarHBondContact CE1-ND1 3.32Å; H49-H51 PolarHBondContact ND1-N 2.7Å; H49-H51 AromaticContact ND1-ND1 3.71Å; H49-H51 PolarHBondContact O-N 3.27Å; H49-H51 VanDerWaalsContact O-N 3.14Å; H49-V52 HydrophobicContact CB-CG2 4.03Å; H49-V52 WeakPolarHBondContact O-CB 3.4Å; H49-V52 PolarHBondContact O-N 3.31Å
50D88.4Confident90.1Very high131 Ų13146 Ų4670%0.70124%0.243SC*.THydrogen-bonded Turntrans-60.5-31-169.4-61.3-24.8000114P23 V52P23-D50 VanDerWaalsContact CG-OD1 3.23Å; P23-D50 WeakPolarHBondContact CG-OD1 3.44Å; D50-V52 VanDerWaalsContact C-N 3.28Å; D50-V52 PolarHBondContact O-N 3.1Å
51H89.9Confident90.4Very high148 Ų14845.4 Ų45.469%0.68524%0.239SC*.THydrogen-bonded Turntrans-81.71.1-178.7-60.385.1000114.4P9 H49P9-H51 HydrophobicContact CB-CB 3.94Å; P9-H51 HydrophobicContact CG-CB 4.01Å; H49-H51 AromaticContact CE1-CG 3.75Å; H49-H51 AromaticContact CE1-ND1 3.21Å; H49-H51 PolarHBondContact CE1-ND1 3.32Å; H49-H51 PolarHBondContact ND1-N 2.7Å; H49-H51 AromaticContact ND1-ND1 3.71Å; H49-H51 PolarHBondContact O-N 3.27Å; H49-H51 VanDerWaalsContact O-N 3.14Å
52V88.7Confident90.4Very high2 Ų241.7 Ų41.71%0.01223%0.226CC..SBendtrans-86124.1175.6-179.20000108.8P9 F20 N22 H49 D50 K56 A58P9-V52 HydrophobicContact CG-CG2 4.16Å; F20-V52 HydrophobicContact CB-CG2 3.94Å; N22-V52 WeakPolarHBondContact CB-O 3.42Å; N22-V52 PolarHBondContact ND2-O 3.07Å; H49-V52 HydrophobicContact CB-CG2 4.03Å; H49-V52 WeakPolarHBondContact O-CB 3.4Å; H49-V52 PolarHBondContact O-N 3.31Å; D50-V52 VanDerWaalsContact C-N 3.28Å; D50-V52 PolarHBondContact O-N 3.1Å; V52-K56 WeakPolarHBondContact CG1-O 3.33Å; V52-A58 HydrophobicContact CG1-CB 4.2Å; V52-A58 HydrophobicContact CG2-CB 3.66Å
53P89.4Confident90.4Very high69 Ų6940.7 Ų40.745%0.44822%0.222SC..PPolyproline II helixtrans-61.2144.6177.3-22.933.7000112.3K56P53-K56 HydrophobicContact CB-CB 4.44Å; P53-K56 HydrophobicContact CB-CD 4.17Å; P53-K56 HydrophobicContact CB-CG 4.15Å; P53-K56 HydrophobicContact CG-CD 4.28Å; P53-K56 WeakPolarHBondContact O-CB 3.11Å; P53-K56 PolarHBondContact O-N 3.13Å; P53-K56 VanDerWaalsContact O-N 3.11Å
54Q90.9Very high90.3Very high119 Ų11942.8 Ų42.856%0.55623%0.229SC*.THydrogen-bonded Turntrans-59.2138.6175.1-164.2178.30.900110.9N22 D25 K56N22-Q54 HydrophobicContact CB-CB 4.45Å; D25-Q54 VanDerWaalsContact OD1-CG 3.3Å; D25-Q54 WeakPolarHBondContact OD1-CG 3.39Å; D25-Q54 PolarHBondContact OD1-NE2 2.72Å; D25-Q54 WeakPolarHBondContact OD2-CA 2.99Å; D25-Q54 WeakPolarHBondContact OD2-CG 3.39Å; Q54-K56 VanDerWaalsContact C-N 3.28Å; Q54-K56 PolarHBondContact O-N 3.37Å
55G90.2Very high90.1Very high28 Ų2850.1 Ų50.129%0.28926%0.261SS..THydrogen-bonded Turntrans77.86.6-174.200000114.5F3 F4 D25F3-G55 WeakPolarHBondContact CA-O 3.38Å; F4-G55 PolarHBondContact N-O 3.28Å; D25-G55 PolarHBondContact OD2-N 3.44Å
56K92.4Very high90.1Very high59 Ų5949.1 Ų49.126%0.25726%0.257SS..EExtended strand (participates in β ladder)trans-120.3154.9176.7-55.6-157.2178.9-1710113.1F4 A6 V52 P53 Q54 D72F4-K56 HydrophobicContact CB-CD 4.46Å; F4-K56 HydrophobicContact CB-CG 4.18Å; F4-K56 CarbonylContact O-C 3.53Å; F4-K56 WeakPolarHBondContact O-CA 3.41Å; F4-K56 WeakPolarHBondContact O-CB 3.17Å; A6-K56 HydrophobicContact CB-CB 4.03Å; A6-K56 HydrophobicContact CB-CD 4.14Å; V52-K56 WeakPolarHBondContact CG1-O 3.33Å; P53-K56 HydrophobicContact CB-CB 4.44Å; P53-K56 HydrophobicContact CB-CD 4.17Å; P53-K56 HydrophobicContact CB-CG 4.15Å; P53-K56 HydrophobicContact CG-CD 4.28Å; P53-K56 WeakPolarHBondContact O-CB 3.11Å; P53-K56 PolarHBondContact O-N 3.13Å; P53-K56 VanDerWaalsContact O-N 3.11Å; Q54-K56 VanDerWaalsContact C-N 3.28Å; Q54-K56 PolarHBondContact O-N 3.37Å; K56-D72 IonicContact NZ-OD1 2.65Å; K56-D72 PolarHBondContact NZ-OD1 3.05Å
57V92.2Very high89.8Confident0 Ų048.8 Ų48.80%025%0.254CS..EExtended strand (participates in β ladder)trans-120.1123.8172.4-175.80000109.2F3 F4 A5 A6 V19 F20 F21 F59 V77F3-V57 HydrophobicContact CB-CG2 3.63Å; F3-V57 HydrophobicContact CD1-CG2 3.76Å; F3-V57 HydrophobicContact CD2-CG2 4.25Å; F3-V57 HydrophobicContact CE1-CG2 4.49Å; F3-V57 HydrophobicContact CG-CG2 3.63Å; F4-V57 PolarHBondContact O-N 2.95Å; A5-V57 CarbonylContact C-O 3.56Å; A6-V57 PolarHBondContact N-O 3.16Å; V19-V57 HydrophobicContact CB-CG1 3.84Å; V19-V57 HydrophobicContact CG2-CG1 4.33Å; F20-V57 CarbonylContact O-C 3.58Å; F20-V57 WeakPolarHBondContact O-CA 3.05Å; F21-V57 HydrophobicContact CD1-CG2 3.51Å; F21-V57 HydrophobicContact CE1-CB 4.31Å; F21-V57 HydrophobicContact CE1-CG1 4.16Å; F21-V57 HydrophobicContact CE1-CG2 3.19Å; F21-V57 HydrophobicContact CE2-CG1 4.48Å; F21-V57 HydrophobicContact CG-CG2 4.45Å; F21-V57 HydrophobicContact CZ-CG1 4.11Å; F21-V57 HydrophobicContact CZ-CG2 3.93Å; V57-F59 HydrophobicContact CB-CE2 3.89Å; V57-F59 HydrophobicContact CB-CZ 4.29Å; V57-F59 HydrophobicContact CG1-CD2 4.47Å; V57-F59 HydrophobicContact CG1-CE2 3.82Å; V57-F59 HydrophobicContact CG1-CZ 3.88Å; V57-F59 VanDerWaalsContact O-CD2 3.23Å; V57-F59 WeakPolarHBondContact O-CD2 3.5Å; V57-F59 VanDerWaalsContact O-CE2 3.3Å; V57-F59 WeakPolarHBondContact O-CE2 3.39Å; V57-V77 HydrophobicContact CG2-CG2 4.31Å
58A93.2Very high89.7Confident2 Ų254.1 Ų54.12%0.01728%0.28CS..EExtended strand (participates in β ladder)trans-90.1133.4-178.800000112.2A6 F20 V52A6-A58 HydrophobicContact CB-CB 4.37Å; A6-A58 WeakPolarHBondContact O-CA 3.38Å; F20-A58 HydrophobicContact CB-CB 4.35Å; F20-A58 PolarHBondContact N-O 3.3Å; F20-A58 VanDerWaalsContact N-O 3.09Å; F20-A58 PolarHBondContact O-N 3.17Å; V52-A58 HydrophobicContact CG1-CB 4.2Å; V52-A58 HydrophobicContact CG2-CB 3.66Å
59F92.3Very high89.6Confident1 Ų151.6 Ų51.60%0.00426%0.262CS..EExtended strand (participates in β ladder)trans-122.8142.6-179.4-62.1-95000111.8A5 A6 A8 V19 I35 F44 V57 Q63 R64 I69 L75A5-F59 HydrophobicContact CB-CD2 4.33Å; A5-F59 HydrophobicContact CB-CE2 4.15Å; A6-F59 PolarHBondContact O-N 3.27Å; A8-F59 PolarHBondContact N-O 3.07Å; V19-F59 HydrophobicContact CB-CE1 4.42Å; V19-F59 HydrophobicContact CG1-CD1 3.52Å; V19-F59 HydrophobicContact CG1-CE1 3.49Å; V19-F59 VanDerWaalsContact CG1-CE1 3.49Å; V19-F59 HydrophobicContact CG1-CG 4.45Å; V19-F59 HydrophobicContact CG1-CZ 4.39Å; I35-F59 HydrophobicContact CD1-CE1 3.47Å; I35-F59 VanDerWaalsContact CD1-CE1 3.47Å; I35-F59 HydrophobicContact CD1-CZ 3.49Å; I35-F59 VanDerWaalsContact CD1-CZ 3.49Å; I35-F59 HydrophobicContact CG2-CZ 4.38Å; F44-F59 HydrophobicContact CD2-CE1 4.45Å; F44-F59 HydrophobicContact CE2-CE1 4.23Å; V57-F59 HydrophobicContact CB-CE2 3.89Å; V57-F59 HydrophobicContact CB-CZ 4.29Å; V57-F59 HydrophobicContact CG1-CD2 4.47Å; V57-F59 HydrophobicContact CG1-CE2 3.82Å; V57-F59 HydrophobicContact CG1-CZ 3.88Å; V57-F59 VanDerWaalsContact O-CD2 3.23Å; V57-F59 WeakPolarHBondContact O-CD2 3.5Å; V57-F59 VanDerWaalsContact O-CE2 3.3Å; V57-F59 WeakPolarHBondContact O-CE2 3.39Å; F59-Q63 HydrophobicContact CB-CB 4.45Å; F59-Q63 HydrophobicContact CD1-CB 4.36Å; F59-R64 HydrophobicContact CB-CG 3.47Å; F59-R64 VanDerWaalsContact CB-CG 3.47Å; F59-R64 HydrophobicContact CG-CG 4.29Å; F59-I69 HydrophobicContact CD1-CD1 4.12Å; F59-I69 HydrophobicContact CE1-CD1 3.71Å; F59-I69 HydrophobicContact CE2-CD1 4.5Å; F59-I69 HydrophobicContact CE2-CG2 4.48Å; F59-I69 HydrophobicContact CZ-CD1 3.93Å; F59-L75 HydrophobicContact CE2-CD1 3.49Å; F59-L75 VanDerWaalsContact CE2-CD1 3.49Å; F59-L75 HydrophobicContact CZ-CD1 3.53Å
60G90.8Very high89.6Confident4 Ų453.3 Ų53.34%0.04128%0.278CS..  trans-69.2161.5167.900000112.4A62 Q63 R64G60-A62 VanDerWaalsContact C-N 3.34Å; G60-A62 PolarHBondContact O-N 2.82Å; G60-Q63 PolarHBondContact O-N 2.96Å; G60-R64 WeakPolarHBondContact O-CG 3.26Å; G60-R64 PolarHBondContact O-N 3.5Å; G60-R64 VanDerWaalsContact O-N 3.11Å
61L88Confident89.6Confident89 Ų8949.8 Ų49.847%0.46626%0.261SS..Hα-helixtrans-59.2-42.5-178-178.662.2000112.9R64 K65L61-R64 PolarHBondContact O-N 2.85Å; L61-K65 WeakPolarHBondContact O-CG 3.19Å; L61-K65 PolarHBondContact O-N 3.14Å; L61-K65 VanDerWaalsContact O-N 3.07Å
62A87.8Confident89.6Confident15 Ų1546.9 Ų46.912%0.12425%0.251CS..Hα-helixtrans-64.6-42.5179.500000112.2G60 R64 K65 W66 L134G60-A62 VanDerWaalsContact C-N 3.34Å; G60-A62 PolarHBondContact O-N 2.82Å; A62-R64 PolarHBondContact O-N 3.35Å; A62-K65 PolarHBondContact O-N 3.22Å; A62-W66 WeakPolarHBondContact O-CB 3.46Å; A62-W66 PolarHBondContact O-N 3.03Å; A62-L134 HydrophobicContact CB-CD1 4.21Å; A62-L134 HydrophobicContact CB-CG 3.96Å
63Q90.4Very high89.6Confident4 Ų449 Ų492%0.01926%0.261CS..Hα-helixtrans-62.4-44.3177.4-64.6170.7-32.700111.9N17 R18 F44 F59 G60 W66 G67N17-Q63 PolarHBondContact O-NE2 2.81Å; N17-Q63 PolarHBondContact OD1-NE2 2.75Å; R18-Q63 PolarHBondContact O-NE2 3.11Å; R18-Q63 VanDerWaalsContact O-NE2 3.11Å; R18-Q63 PolarHBondContact O-OE1 3.5Å; F44-Q63 HydrophobicContact CD1-CG 4.42Å; F44-Q63 HydrophobicContact CE1-CB 4.08Å; F44-Q63 HydrophobicContact CE1-CG 3.83Å; F44-Q63 HydrophobicContact CZ-CB 4.27Å; F59-Q63 HydrophobicContact CB-CB 4.45Å; F59-Q63 HydrophobicContact CD1-CB 4.36Å; G60-Q63 PolarHBondContact O-N 2.96Å; Q63-W66 PolarHBondContact O-N 2.86Å; Q63-G67 PolarHBondContact O-N 3.09Å
64R90Very high89.7Confident50 Ų5050.2 Ų50.219%0.18927%0.268CS..Hα-helixtrans-65.1-40177.2-64.5-176.2-42156.818.3112.5F59 G60 L61 A62 N68 I69F59-R64 HydrophobicContact CB-CG 3.47Å; F59-R64 VanDerWaalsContact CB-CG 3.47Å; F59-R64 HydrophobicContact CG-CG 4.29Å; G60-R64 WeakPolarHBondContact O-CG 3.26Å; G60-R64 PolarHBondContact O-N 3.5Å; G60-R64 VanDerWaalsContact O-N 3.11Å; L61-R64 PolarHBondContact O-N 2.85Å; A62-R64 PolarHBondContact O-N 3.35Å; R64-N68 CarbonylContact O-C 3.46Å; R64-N68 VanDerWaalsContact O-CA 3.29Å; R64-N68 WeakPolarHBondContact O-CA 3.29Å; R64-N68 PolarHBondContact O-N 2.91Å; R64-I69 HydrophobicContact CB-CB 4.49Å; R64-I69 HydrophobicContact CG-CB 4.5Å; R64-I69 PolarHBondContact O-N 3.24Å
65K88.1Confident89.6Confident155 Ų15544.7 Ų44.767%0.67424%0.243SC*.Hα-helixtrans-64.3-42.6176.4-78.2-173.7176.9-173.70111.4L61 A62L61-K65 WeakPolarHBondContact O-CG 3.19Å; L61-K65 PolarHBondContact O-N 3.14Å; L61-K65 VanDerWaalsContact O-N 3.07Å; A62-K65 PolarHBondContact O-N 3.22Å
66W88.7Confident89.6Confident39 Ų3946.1 Ų46.115%0.14824%0.244CC..Hα-helixtrans-66.9-45.2177.2178.352.6000112.2Y42 F44 A62 Q63 N68 T128 G130 Q131Y42-W66 AromaticContact CD1-CD2 3.94Å; Y42-W66 HydrophobicContact CD1-CD2 3.94Å; Y42-W66 AromaticContact CD1-CE2 3.89Å; Y42-W66 AromaticContact CD1-CE3 3.81Å; Y42-W66 HydrophobicContact CD1-CE3 3.81Å; Y42-W66 AromaticContact CD1-CH2 3.7Å; Y42-W66 HydrophobicContact CD1-CH2 3.7Å; Y42-W66 AromaticContact CD1-CZ2 3.8Å; Y42-W66 HydrophobicContact CD1-CZ2 3.8Å; Y42-W66 AromaticContact CD1-CZ3 3.7Å; Y42-W66 HydrophobicContact CD1-CZ3 3.7Å; Y42-W66 HydrophobicContact CE1-CD2 4.09Å; Y42-W66 AromaticContact CE1-CE2 3.93Å; Y42-W66 HydrophobicContact CE1-CE3 4.41Å; Y42-W66 HydrophobicContact CE1-CZ2 4.17Å; Y42-W66 HydrophobicContact CG-CZ3 4.45Å; F44-W66 AromaticContact CE1-CE3 3.95Å; F44-W66 HydrophobicContact CE1-CE3 3.95Å; F44-W66 AromaticContact CE1-CZ3 3.69Å; F44-W66 HydrophobicContact CE1-CZ3 3.69Å; F44-W66 AromaticContact CZ-CE3 3.77Å; F44-W66 HydrophobicContact CZ-CE3 3.77Å; F44-W66 AromaticContact CZ-CZ3 3.62Å; F44-W66 HydrophobicContact CZ-CZ3 3.62Å; A62-W66 WeakPolarHBondContact O-CB 3.46Å; A62-W66 PolarHBondContact O-N 3.03Å; Q63-W66 PolarHBondContact O-N 2.86Å; W66-N68 VanDerWaalsContact C-N 3.32Å; W66-N68 PolarHBondContact O-N 3.49Å; W66-T128 HydrophobicContact CH2-CG2 4.16Å; W66-T128 HydrophobicContact CZ2-CG2 3.97Å; W66-G130 PolarHBondContact NE1-O 3.04Å; W66-Q131 HydrophobicContact CD2-CB 4.19Å; W66-Q131 HydrophobicContact CD2-CG 4.07Å; W66-Q131 VanDerWaalsContact CE2-CA 3.46Å; W66-Q131 HydrophobicContact CE3-CB 4.32Å; W66-Q131 HydrophobicContact CE3-CG 3.77Å; W66-Q131 HydrophobicContact CH2-CB 3.8Å; W66-Q131 HydrophobicContact CH2-CG 3.83Å; W66-Q131 HydrophobicContact CZ2-CB 3.67Å; W66-Q131 HydrophobicContact CZ2-CG 4.14Å; W66-Q131 HydrophobicContact CZ3-CB 4.13Å; W66-Q131 HydrophobicContact CZ3-CG 3.64Å
67G84.8Confident89.5Confident0 Ų043.3 Ų43.30%023%0.232CC..Hα-helixtrans-82.2-2.6-179.600000115.9Q63 I69Q63-G67 PolarHBondContact O-N 3.09Å; G67-I69 PolarHBondContact O-N 3.41Å
68N86.9Confident89.4Confident123 Ų12347.4 Ų47.466%0.65825%0.251SS*.THydrogen-bonded Turntrans5040.2-169.2-161.728.2000113.8R64 W66R64-N68 CarbonylContact O-C 3.46Å; R64-N68 VanDerWaalsContact O-CA 3.29Å; R64-N68 WeakPolarHBondContact O-CA 3.29Å; R64-N68 PolarHBondContact O-N 2.91Å; W66-N68 VanDerWaalsContact C-N 3.32Å; W66-N68 PolarHBondContact O-N 3.49Å
69I88.4Confident89.2Confident7 Ų750.4 Ų50.44%0.03627%0.27CS..PPolyproline II helixtrans-92.2120.1-173.7-59.4170.3000110.3A5 T37 F59 R64 G67 L75A5-I69 HydrophobicContact CB-CG2 3.48Å; A5-I69 VanDerWaalsContact CB-CG2 3.48Å; T37-I69 HydrophobicContact CG2-CD1 4.1Å; T37-I69 HydrophobicContact CG2-CG1 3.73Å; F59-I69 HydrophobicContact CD1-CD1 4.12Å; F59-I69 HydrophobicContact CE1-CD1 3.71Å; F59-I69 HydrophobicContact CE2-CD1 4.5Å; F59-I69 HydrophobicContact CE2-CG2 4.48Å; F59-I69 HydrophobicContact CZ-CD1 3.93Å; R64-I69 HydrophobicContact CB-CB 4.49Å; R64-I69 HydrophobicContact CG-CB 4.5Å; R64-I69 PolarHBondContact O-N 3.24Å; G67-I69 PolarHBondContact O-N 3.41Å; I69-L75 HydrophobicContact CG2-CD1 4.13Å; I69-L75 HydrophobicContact CG2-CD2 4.3Å
70S89.6Confident89Confident74 Ų7452.4 Ų52.452%0.51728%0.278SS..PPolyproline II helixtrans-84.8153.7173.2-68.10000111.6A5 E73A5-S70 WeakPolarHBondContact CB-O 3.42Å; S70-E73 PolarHBondContact N-OE2 3.01Å; S70-E73 VanDerWaalsContact O-CB 3.27Å; S70-E73 WeakPolarHBondContact O-CB 3.49Å; S70-E73 PolarHBondContact O-N 3Å
71V89.9Confident88.7Confident57 Ų5758.3 Ų58.335%0.34531%0.313SS..THydrogen-bonded Turntrans-67.5140174.6-176.80000108.9K7 E73K7-V71 HydrophobicContact CD-CG2 4.41Å; K7-V71 HydrophobicContact CG-CG2 3.81Å; V71-E73 PolarHBondContact O-N 2.9Å
72D89.3Confident88.4Confident87 Ų8755.1 Ų55.147%0.46530%0.296SS..THydrogen-bonded Turntrans63.715.6-176-59.1-49.8000114.9F4 A5 K56F4-D72 WeakPolarHBondContact CD1-O 3.49Å; A5-D72 PolarHBondContact O-N 3.49Å; K56-D72 IonicContact NZ-OD1 2.65Å; K56-D72 PolarHBondContact NZ-OD1 3.05Å
73E89Confident88Confident47 Ų4758.4 Ų58.422%0.2231%0.311CS..  trans-70.7135.4169.2-171.4179.2165.100110.6F4 A5 S70 V71F4-E73 WeakPolarHBondContact CA-O 3.42Å; A5-E73 HydrophobicContact CB-CB 4.48Å; A5-E73 PolarHBondContact N-O 3.14Å; S70-E73 PolarHBondContact N-OE2 3.01Å; S70-E73 VanDerWaalsContact O-CB 3.27Å; S70-E73 WeakPolarHBondContact O-CB 3.49Å; S70-E73 PolarHBondContact O-N 3Å; V71-E73 PolarHBondContact O-N 2.9Å
74P90.6Very high87.1Confident94 Ų9463.7 Ų63.761%0.6134%0.339SS*.EExtended strand (participates in β ladder)trans-72126.5173.529.4-33.4000110.7F4F4-P74 HydrophobicContact CD1-CB 4.38Å; F4-P74 HydrophobicContact CE1-CB 4.11Å
75L89.7Confident86Confident4 Ų463.5 Ų63.52%0.02135%0.348CS..EExtended strand (participates in β ladder)trans-119.5141-177.6-62.9175.3000110.9K2 F3 A5 I35 T37 F59 I69 V77K2-L75 WeakPolarHBondContact CA-O 3.49Å; F3-L75 PolarHBondContact N-O 3.21Å; F3-L75 PolarHBondContact O-N 2.83Å; A5-L75 HydrophobicContact CB-CD1 3.82Å; A5-L75 HydrophobicContact CB-CG 4.43Å; I35-L75 HydrophobicContact CG2-CB 4.26Å; I35-L75 HydrophobicContact CG2-CD1 4.06Å; I35-L75 HydrophobicContact CG2-CD2 4.15Å; I35-L75 HydrophobicContact CG2-CG 4.41Å; T37-L75 HydrophobicContact CG2-CD2 4.07Å; F59-L75 HydrophobicContact CE2-CD1 3.49Å; F59-L75 VanDerWaalsContact CE2-CD1 3.49Å; F59-L75 HydrophobicContact CZ-CD1 3.53Å; I69-L75 HydrophobicContact CG2-CD1 4.13Å; I69-L75 HydrophobicContact CG2-CD2 4.3Å; L75-V77 HydrophobicContact CB-CG2 4.48Å
76D90.7Very high85.4Confident58 Ų5863 Ų6331%0.3134%0.342SS..EExtended strand (participates in β ladder)trans-96.4112.6166.8-171.935.1000111M1 H36 Q78M1-D76 PolarHBondContact N-OD1 2.71Å; H36-D76 PolarHBondContact N-O 3.44Å; D76-Q78 PolarHBondContact OD2-NE2 2.87Å
77V90.2Very high85Confident0 Ų063.3 Ų63.30%035%0.345CS..EExtended strand (participates in β ladder)trans-104.1118.2-177.8-1750000109.4M1 F3 F21 L30 V33 I35 V57 L75M1-V77 WeakPolarHBondContact CB-O 3.23Å; M1-V77 PolarHBondContact N-O 3.43Å; M1-V77 PolarHBondContact O-N 2.78Å; F3-V77 HydrophobicContact CB-CG2 4.19Å; F3-V77 HydrophobicContact CD2-CB 3.87Å; F3-V77 HydrophobicContact CD2-CG2 3.67Å; F3-V77 HydrophobicContact CE2-CB 4.3Å; F3-V77 HydrophobicContact CE2-CG2 4.5Å; F3-V77 HydrophobicContact CG-CG2 4.28Å; F21-V77 HydrophobicContact CE1-CG1 4.08Å; F21-V77 HydrophobicContact CZ-CG1 3.9Å; L30-V77 HydrophobicContact CD2-CG1 4.34Å; V33-V77 HydrophobicContact CB-CG1 3.77Å; V33-V77 HydrophobicContact CG1-CG1 3.84Å; V33-V77 HydrophobicContact CG2-CG1 4.31Å; I35-V77 HydrophobicContact CG1-CG1 4.5Å; I35-V77 HydrophobicContact CG1-CG2 4.39Å; V57-V77 HydrophobicContact CG2-CG2 4.31Å; L75-V77 HydrophobicContact CB-CG2 4.48Å
78Q89.7Confident84.9Confident86 Ų8664.3 Ų64.340%0.40235%0.351SS..EExtended strand (participates in β ladder)trans-117.7139.5178.9-62.5-178.53.200110V33 A34 H36 D76 Y80V33-Q78 CarbonylContact C-O 3.49Å; V33-Q78 WeakPolarHBondContact CA-O 3.48Å; A34-Q78 PolarHBondContact N-O 3.02Å; A34-Q78 PolarHBondContact O-N 3.37Å; H36-Q78 VanDerWaalsContact CE1-CD 3.5Å; H36-Q78 PolarHBondContact CE1-OE1 2.92Å; D76-Q78 PolarHBondContact OD2-NE2 2.87Å; Q78-Y80 PolarHBondContact O-N 2.78Å
79P88.7Confident84.8Confident65 Ų6558.4 Ų58.442%0.42232%0.32SS..EExtended strand (participates in β ladder)trans-52.6132.9167.9-28.337.5000111.1K29K29-P79 HydrophobicContact CB-CG 4.32Å; K29-P79 WeakPolarHBondContact O-CB 3.34Å
80Y87.1Confident84.5Confident42 Ų4258.7 Ų58.717%0.16532%0.323CS..  trans-118.3118.9174.8-171.6-84.5000109.5C32 A34 V43 Q78 F82 E87C32-Y80 WeakPolarHBondContact CB-O 3.36Å; C32-Y80 PolarHBondContact O-N 3.09Å; A34-Y80 HydrophobicContact CB-CD2 4.02Å; A34-Y80 HydrophobicContact CB-CG 4.48Å; V43-Y80 HydrophobicContact CG1-CD1 3.92Å; V43-Y80 HydrophobicContact CG1-CE1 4.44Å; V43-Y80 HydrophobicContact CG1-CG 4Å; V43-Y80 HydrophobicContact CG2-CD2 4.07Å; V43-Y80 HydrophobicContact CG2-CE2 4.18Å; V43-Y80 HydrophobicContact CG2-CG 4.3Å; Q78-Y80 PolarHBondContact O-N 2.78Å; Y80-F82 HydrophobicContact CD1-CD1 4.48Å; Y80-F82 AromaticContact CD1-CD2 3.64Å; Y80-F82 HydrophobicContact CD1-CD2 3.64Å; Y80-F82 HydrophobicContact CD1-CE1 4.29Å; Y80-F82 AromaticContact CD1-CE2 3.41Å; Y80-F82 HydrophobicContact CD1-CE2 3.41Å; Y80-F82 VanDerWaalsContact CD1-CE2 3.41Å; Y80-F82 HydrophobicContact CD1-CG 4.18Å; Y80-F82 AromaticContact CD1-CZ 3.74Å; Y80-F82 HydrophobicContact CD1-CZ 3.74Å; Y80-F82 AromaticContact CE1-CD1 3.77Å; Y80-F82 HydrophobicContact CE1-CD1 3.77Å; Y80-F82 AromaticContact CE1-CD2 3.77Å; Y80-F82 HydrophobicContact CE1-CD2 3.77Å; Y80-F82 AromaticContact CE1-CE1 3.6Å; Y80-F82 HydrophobicContact CE1-CE1 3.6Å; Y80-F82 AromaticContact CE1-CE2 3.6Å; Y80-F82 HydrophobicContact CE1-CE2 3.6Å; Y80-F82 AromaticContact CE1-CG 3.84Å; Y80-F82 HydrophobicContact CE1-CG 3.84Å; Y80-F82 AromaticContact CE1-CZ 3.48Å; Y80-F82 HydrophobicContact CE1-CZ 3.48Å; Y80-F82 VanDerWaalsContact CE1-CZ 3.48Å; Y80-E87 PolarHBondContact OH-OE1 3.2Å
81T84.3Confident84.4Confident128 Ų12856.5 Ų56.579%0.78531%0.308SS*.  trans-103.6119.3178.4-51.20000109.1
82F81.7Confident84.4Confident22 Ų2253.8 Ų53.810%0.09629%0.292CS..  trans-75.2137.3174.9-77.9-90.1000111.4C32 V43 Y80 L84 E87 P126 I164 M166C32-F82 HydrophobicContact CB-CD2 4.33Å; C32-F82 HydrophobicContact CB-CE2 4.18Å; V43-F82 HydrophobicContact CG1-CE2 3.95Å; V43-F82 HydrophobicContact CG1-CZ 3.77Å; Y80-F82 HydrophobicContact CD1-CD1 4.48Å; Y80-F82 AromaticContact CD1-CD2 3.64Å; Y80-F82 HydrophobicContact CD1-CD2 3.64Å; Y80-F82 HydrophobicContact CD1-CE1 4.29Å; Y80-F82 AromaticContact CD1-CE2 3.41Å; Y80-F82 HydrophobicContact CD1-CE2 3.41Å; Y80-F82 VanDerWaalsContact CD1-CE2 3.41Å; Y80-F82 HydrophobicContact CD1-CG 4.18Å; Y80-F82 AromaticContact CD1-CZ 3.74Å; Y80-F82 HydrophobicContact CD1-CZ 3.74Å; Y80-F82 AromaticContact CE1-CD1 3.77Å; Y80-F82 HydrophobicContact CE1-CD1 3.77Å; Y80-F82 AromaticContact CE1-CD2 3.77Å; Y80-F82 HydrophobicContact CE1-CD2 3.77Å; Y80-F82 AromaticContact CE1-CE1 3.6Å; Y80-F82 HydrophobicContact CE1-CE1 3.6Å; Y80-F82 AromaticContact CE1-CE2 3.6Å; Y80-F82 HydrophobicContact CE1-CE2 3.6Å; Y80-F82 AromaticContact CE1-CG 3.84Å; Y80-F82 HydrophobicContact CE1-CG 3.84Å; Y80-F82 AromaticContact CE1-CZ 3.48Å; Y80-F82 HydrophobicContact CE1-CZ 3.48Å; Y80-F82 VanDerWaalsContact CE1-CZ 3.48Å; F82-L84 PolarHBondContact O-N 2.84Å; F82-E87 WeakPolarHBondContact CA-OE2 3.27Å; F82-E87 HydrophobicContact CD1-CB 3.95Å; F82-E87 VanDerWaalsContact CD1-OE2 3.29Å; F82-E87 WeakPolarHBondContact CD1-OE2 3.33Å; F82-P126 HydrophobicContact CE1-CB 4.32Å; F82-P126 HydrophobicContact CE2-CB 3.82Å; F82-P126 HydrophobicContact CE2-CG 4.43Å; F82-P126 HydrophobicContact CZ-CB 3.37Å; F82-P126 HydrophobicContact CZ-CG 4.39Å; F82-I164 HydrophobicContact CE1-CD1 4.04Å; F82-I164 HydrophobicContact CE1-CG1 4.11Å; F82-I164 HydrophobicContact CZ-CD1 3.93Å; F82-I164 HydrophobicContact CZ-CG1 4.35Å; F82-M166 HydrophobicContact CB-CE 4.41Å; F82-M166 HydrophobicContact CD1-CB 4.39Å; F82-M166 HydrophobicContact CD1-CE 4.24Å; F82-M166 HydrophobicContact CD2-CE 3.23Å; F82-M166 HydrophobicContact CE1-CE 4.39Å; F82-M166 HydrophobicContact CE2-CE 3.41Å; F82-M166 VanDerWaalsContact CE2-CE 3.41Å; F82-M166 HydrophobicContact CG-CE 3.69Å; F82-M166 HydrophobicContact CZ-CE 4.03Å
83N80.1Confident84.5Confident85 Ų8550.9 Ų50.946%0.45528%0.277SS..  trans-84.191.4165.8-173.4-13.9000109A85 R86 E87N83-A85 PolarHBondContact O-N 3.16Å; N83-A85 WeakPolarHBondContact OD1-CB 3.34Å; N83-A85 PolarHBondContact OD1-N 3.48Å; N83-R86 PolarHBondContact O-N 2.94Å; N83-E87 HydrophobicContact CB-CG 4.5Å; N83-E87 PolarHBondContact N-OE2 3.16Å; N83-E87 WeakPolarHBondContact O-CB 3.49Å; N83-E87 PolarHBondContact O-N 3.38Å
84L72Confident84.7Confident115 Ų11548.6 Ų48.660%0.60227%0.266SS*.THydrogen-bonded Turntrans-56.5-19.7-177-64.5173.6000113.9F82 R86 C88F82-L84 PolarHBondContact O-N 2.84Å; L84-R86 VanDerWaalsContact C-N 3.31Å; L84-R86 PolarHBondContact O-N 2.81Å; L84-C88 PolarHBondContact O-SG 2.87Å
85A66.7Low84.7Confident45 Ų4544.2 Ų44.237%0.37224%0.238SC..THydrogen-bonded Turntrans-76.2-15.7176.400000114.2N83N83-A85 PolarHBondContact O-N 3.16Å; N83-A85 WeakPolarHBondContact OD1-CB 3.34Å; N83-A85 PolarHBondContact OD1-N 3.48Å
86R75Confident84.8Confident146 Ų14644 Ų4455%0.55124%0.237SC*.THydrogen-bonded Turntrans-134.2-22-174.4-67-175.4173.1-177-4.8114.5N83 L84 T151 D155N83-R86 PolarHBondContact O-N 2.94Å; L84-R86 VanDerWaalsContact C-N 3.31Å; L84-R86 PolarHBondContact O-N 2.81Å; R86-T151 VanDerWaalsContact O-CB 3.23Å; R86-T151 WeakPolarHBondContact O-CB 3.44Å; R86-T151 PolarHBondContact O-OG1 2.76Å; R86-D155 IonicContact NH2-OD2 3.87Å
87E80.9Confident84.7Confident45 Ų4542 Ų4221%0.2123%0.226CC..SBendtrans-108.29.7-174.3-60.7-177.2139.400112.7Y80 F82 N83 G165 M166Y80-E87 PolarHBondContact OH-OE1 3.2Å; F82-E87 WeakPolarHBondContact CA-OE2 3.27Å; F82-E87 HydrophobicContact CD1-CB 3.95Å; F82-E87 VanDerWaalsContact CD1-OE2 3.29Å; F82-E87 WeakPolarHBondContact CD1-OE2 3.33Å; N83-E87 HydrophobicContact CB-CG 4.5Å; N83-E87 PolarHBondContact N-OE2 3.16Å; N83-E87 WeakPolarHBondContact O-CB 3.49Å; N83-E87 PolarHBondContact O-N 3.38Å; E87-G165 CarbonylContact O-C 3.56Å; E87-G165 WeakPolarHBondContact O-CA 3.37Å; E87-M166 PolarHBondContact O-N 2.88Å
88C82.5Confident84.5Confident20 Ų2042.6 Ų42.614%0.13523%0.228CC..BIsolated β-bridgetrans-77.4131.1169.3-75.30000110.3L84 A90 T151 L152 T168L84-C88 PolarHBondContact O-SG 2.87Å; C88-A90 PolarHBondContact O-N 2.92Å; C88-T151 CarbonylContact O-C 3.58Å; C88-T151 VanDerWaalsContact O-CA 3.26Å; C88-T151 WeakPolarHBondContact O-CA 3.19Å; C88-T151 WeakPolarHBondContact O-CB 3.28Å; C88-L152 PolarHBondContact O-N 2.79Å; C88-T168 HydrophobicContact CB-CG2 4.26Å
89L85.1Confident84.2Confident0 Ų042.4 Ų42.40%023%0.23CC..EExtended strand (participates in β ladder)trans-74.3122.9-178.7-67.8173000111.7L127 L149 S150 T151 M166 L167 T171L89-L127 HydrophobicContact CD1-CB 4.09Å; L89-L127 HydrophobicContact CD1-CD1 3.95Å; L89-L127 HydrophobicContact CD1-CG 4.3Å; L89-L149 HydrophobicContact CD1-CD2 3.91Å; L89-L149 HydrophobicContact CD2-CB 3.71Å; L89-L149 HydrophobicContact CD2-CD1 4.2Å; L89-L149 HydrophobicContact CD2-CD2 3.85Å; L89-L149 HydrophobicContact CD2-CG 4.13Å; L89-S150 CarbonylContact C-O 3.53Å; L89-T151 HydrophobicContact CD2-CG2 3.93Å; L89-M166 WeakPolarHBondContact CB-O 3.44Å; L89-M166 WeakPolarHBondContact CG-O 3.36Å; L89-M166 PolarHBondContact N-O 3.34Å; L89-L167 HydrophobicContact CD1-CB 4.46Å; L89-T171 HydrophobicContact CB-CG2 3.5Å; L89-T171 WeakPolarHBondContact O-CB 3.16Å; L89-T171 PolarHBondContact O-OG1 2.64Å
90A82.5Confident83.8Confident12 Ų1243.4 Ų43.410%0.09923%0.232CC..EExtended strand (participates in β ladder)trans-73.3-50.1166.200000110.1C88 S150 L152 V172C88-A90 PolarHBondContact O-N 2.92Å; A90-S150 WeakPolarHBondContact CB-O 3.45Å; A90-S150 PolarHBondContact N-O 2.78Å; A90-L152 HydrophobicContact CB-CD2 3.77Å; A90-L152 HydrophobicContact CB-CG 3.71Å; A90-V172 PolarHBondContact O-N 2.96Å
91S86.3Confident83Confident28 Ų2849.8 Ų49.820%0.19626%0.261CS..EExtended strand (participates in β ladder)trans-147.5154.6179.170.60000112.6S150 V172S91-S150 PolarHBondContact N-O 3.14Å; S91-S150 PolarHBondContact O-N 3.16Å; S91-V172 CarbonylContact C-O 3.53Å; S91-V172 WeakPolarHBondContact CA-O 3.46Å; S91-V172 WeakPolarHBondContact CB-O 3.33Å
92A89.5Confident82.2Confident1 Ų152.9 Ų52.91%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-137.2129177.400000110.4L94 K148 L149 T171 V172 R174A92-L94 HydrophobicContact CB-CD2 4.36Å; A92-K148 WeakPolarHBondContact CA-O 3.2Å; A92-L149 HydrophobicContact CB-CD2 3.63Å; A92-T171 HydrophobicContact CB-CG2 4.32Å; A92-V172 PolarHBondContact N-O 3.43Å; A92-R174 PolarHBondContact O-N 2.96Å
93V91.8Very high81.4Confident25 Ų2555.6 Ų55.615%0.15228%0.277CS..EExtended strand (participates in β ladder)trans-99119.3172.8-179.30000108.8K147 K148 R174 M176 L191V93-K147 HydrophobicContact CG1-CB 4.37Å; V93-K147 PolarHBondContact O-N 3.39Å; V93-K148 HydrophobicContact CB-CB 3.98Å; V93-K148 HydrophobicContact CG2-CB 4.08Å; V93-K148 PolarHBondContact N-O 3.09Å; V93-K148 PolarHBondContact O-N 3.38Å; V93-R174 WeakPolarHBondContact CA-O 3.46Å; V93-M176 HydrophobicContact CG1-CG 4.35Å; V93-M176 HydrophobicContact CG1-SD 3.91Å; V93-L191 HydrophobicContact CB-CD1 4.25Å; V93-L191 HydrophobicContact CG1-CD1 3.53Å; V93-L191 HydrophobicContact CG2-CD1 3.81Å
94L93Very high80.4Confident0 Ų055.1 Ų55.10%028%0.28CS..EExtended strand (participates in β ladder)trans-118.4123.4-173.6-56.8-175.9000109.9A92 F118 V144 V146 I173 R174 W175 M176A92-L94 HydrophobicContact CB-CD2 4.36Å; L94-F118 HydrophobicContact CD1-CD1 4.02Å; L94-F118 HydrophobicContact CD1-CD2 4.42Å; L94-F118 HydrophobicContact CD1-CE1 3.55Å; L94-F118 HydrophobicContact CD1-CE2 4.01Å; L94-F118 HydrophobicContact CD1-CG 4.42Å; L94-F118 HydrophobicContact CD1-CZ 3.54Å; L94-V144 HydrophobicContact CB-CG1 3.77Å; L94-V144 HydrophobicContact CD1-CG1 4.06Å; L94-V144 HydrophobicContact CD2-CG1 4.32Å; L94-V144 HydrophobicContact CG-CG1 4.27Å; L94-V146 HydrophobicContact CD2-CB 4.25Å; L94-V146 HydrophobicContact CD2-CG1 4.3Å; L94-V146 HydrophobicContact CD2-CG2 3.88Å; L94-I173 HydrophobicContact CD1-CG2 3.61Å; L94-I173 HydrophobicContact CG-CG2 4.2Å; L94-R174 PolarHBondContact N-O 2.97Å; L94-W175 HydrophobicContact CB-CE3 3.9Å; L94-W175 HydrophobicContact CB-CZ3 3.95Å; L94-W175 HydrophobicContact CD1-CH2 4.03Å; L94-W175 HydrophobicContact CD1-CZ2 4.43Å; L94-W175 HydrophobicContact CD1-CZ3 4.11Å; L94-W175 CarbonylContact O-C 3.47Å; L94-W175 WeakPolarHBondContact O-CA 3.48Å; L94-M176 PolarHBondContact O-N 2.61Å
95A91.8Very high80Confident1 Ų152 Ų521%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-86.6133.3171.700000110.2V144 E145 K147 M176 Q178A95-V144 CarbonylContact O-C 3.6Å; A95-V144 VanDerWaalsContact O-CA 3.3Å; A95-V144 WeakPolarHBondContact O-CA 3.32Å; A95-E145 HydrophobicContact CB-CB 4.39Å; A95-E145 PolarHBondContact N-O 2.72Å; A95-E145 PolarHBondContact O-N 2.91Å; A95-K147 HydrophobicContact CB-CD 4.39Å; A95-K147 HydrophobicContact CB-CG 3.74Å; A95-M176 CarbonylContact C-O 3.58Å; A95-M176 VanDerWaalsContact CA-O 3.22Å; A95-M176 WeakPolarHBondContact CA-O 3.44Å; A95-M176 HydrophobicContact CB-CG 3.8Å; A95-M176 HydrophobicContact CB-SD 4.33Å; A95-Q178 HydrophobicContact CB-CG 4.11Å
96V91Very high79.7Confident0 Ų056.9 Ų56.90%028%0.284CS..EExtended strand (participates in β ladder)trans-125.1140.3-175.166.40000112.2M114 L142 L143 V144 W175 M176 Q178 L183 L185V96-M114 HydrophobicContact CG1-CE 4.44Å; V96-M114 HydrophobicContact CG2-CE 4.24Å; V96-L142 HydrophobicContact CG2-CB 3.8Å; V96-L142 HydrophobicContact CG2-CD1 3.9Å; V96-L142 HydrophobicContact CG2-CG 4.28Å; V96-L143 WeakPolarHBondContact CA-O 3.32Å; V96-V144 HydrophobicContact CG2-CG2 4.2Å; V96-W175 HydrophobicContact CB-CE3 3.92Å; V96-W175 HydrophobicContact CB-CZ3 4.06Å; V96-W175 HydrophobicContact CG1-CE3 4.06Å; V96-W175 HydrophobicContact CG2-CZ3 4.3Å; V96-M176 PolarHBondContact N-O 3.05Å; V96-Q178 PolarHBondContact O-N 3.27Å; V96-Q178 VanDerWaalsContact O-N 3.1Å; V96-L183 HydrophobicContact CB-CD1 4.48Å; V96-L183 HydrophobicContact CG1-CD1 4Å; V96-L183 HydrophobicContact CG2-CD1 4.12Å; V96-L185 HydrophobicContact CG1-CD1 3.98Å; V96-L185 HydrophobicContact CG1-CD2 4.21Å
97D88.8Confident79.5Confident17 Ų1757 Ų579%0.09129%0.291CS..EExtended strand (participates in β ladder)trans-145167.8170.1-16318.6000111.4N99 L142 L143 Q178 S181 L183D97-N99 PolarHBondContact O-N 2.88Å; D97-L142 CarbonylContact O-C 3.55Å; D97-L142 WeakPolarHBondContact O-CA 3.49Å; D97-L143 PolarHBondContact N-O 3.45Å; D97-L143 PolarHBondContact O-N 3.1Å; D97-Q178 HydrophobicContact CB-CB 4.22Å; D97-Q178 HydrophobicContact CB-CG 4.14Å; D97-S181 WeakPolarHBondContact OD1-CB 3.49Å; D97-S181 PolarHBondContact OD1-OG 3.27Å; D97-L183 VanDerWaalsContact CA-CD1 3.49Å
98F86.3Confident79.2Confident11 Ų1158.1 Ų58.15%0.04830%0.302CS..EExtended strand (participates in β ladder)trans-66.3127.9170-67.1-73.8000110.3N100 M103 I105 M140 L142 L183F98-N100 PolarHBondContact O-N 3.46Å; F98-M103 HydrophobicContact CD1-CB 4.29Å; F98-I105 HydrophobicContact CE1-CD1 4.3Å; F98-I105 HydrophobicContact CZ-CB 4.16Å; F98-M140 HydrophobicContact CE1-SD 4.28Å; F98-L142 HydrophobicContact CD1-CD2 3.95Å; F98-L142 HydrophobicContact CE1-CD2 4.33Å; F98-L183 HydrophobicContact CD1-CD2 4.35Å; F98-L183 HydrophobicContact CD2-CD2 3.99Å; F98-L183 HydrophobicContact CD2-CG 3.98Å; F98-L183 HydrophobicContact CE1-CD2 3.77Å; F98-L183 HydrophobicContact CE2-CD2 3.36Å; F98-L183 HydrophobicContact CE2-CG 3.69Å; F98-L183 HydrophobicContact CG-CD2 4.46Å; F98-L183 HydrophobicContact CZ-CD2 3.24Å; F98-L183 HydrophobicContact CZ-CG 4.11Å
99N83.1Confident79.2Confident82 Ų8257.9 Ų57.944%0.43930%0.299SS..SBendtrans-62.2-31.2175.1-177.445000111.8D97 L134 T141 L143D97-N99 PolarHBondContact O-N 2.88Å; N99-L134 HydrophobicContact CB-CD2 4.3Å; N99-T141 HydrophobicContact CB-CG2 4.13Å; N99-T141 WeakPolarHBondContact CB-O 3.23Å; N99-T141 PolarHBondContact N-O 2.79Å; N99-L143 HydrophobicContact CB-CB 4.37Å
100N80.2Confident79.2Confident87 Ų8761 Ų6147%0.46532%0.316SS..SBendtrans-109105.8172.5-174.2-3.4000110.3F98 K102 M103F98-N100 PolarHBondContact O-N 3.46Å; N100-K102 PolarHBondContact O-N 2.88Å; N100-K102 WeakPolarHBondContact OD1-CB 3.31Å; N100-K102 PolarHBondContact OD1-N 3.28Å; N100-M103 PolarHBondContact O-N 3.18Å
101K71.4Confident79.4Confident175 Ų17560.5 Ų60.576%0.76131%0.311SS*.THydrogen-bonded Turntrans-59.9-11.7-179.6-65.6-167.2173.2-1670115
102K66.1Low79.3Confident193 Ų19362.3 Ų62.384%0.83932%0.319SS*.THydrogen-bonded Turntrans-78.7-17.9173.2-65.5-171.9179-177.20113.4N100N100-K102 PolarHBondContact O-N 2.88Å; N100-K102 WeakPolarHBondContact OD1-CB 3.31Å; N100-K102 PolarHBondContact OD1-N 3.28Å
103M64.5Low79.3Confident79 Ų7967.6 Ų67.639%0.38934%0.339SS..  trans-80.9124.6172.8-77.5-17863.600109.6F98 N100 I105 M140F98-M103 HydrophobicContact CD1-CB 4.29Å; N100-M103 PolarHBondContact O-N 3.18Å; M103-I105 HydrophobicContact CE-CD1 3.85Å; M103-M140 HydrophobicContact CE-CG 4.04Å
104S60.5Low79.2Confident75 Ų7566.4 Ų66.452%0.52433%0.332SS..  trans-128.1113.3167.757.30000107.7
105I63Low79Confident51 Ų5167.1 Ų67.126%0.26234%0.337SS..  trans-109.2129.8172.6-69163000106.6F98 M103 E107 M140F98-I105 HydrophobicContact CE1-CD1 4.3Å; F98-I105 HydrophobicContact CZ-CB 4.16Å; M103-I105 HydrophobicContact CE-CD1 3.85Å; I105-E107 VanDerWaalsContact C-N 3.31Å; I105-E107 HydrophobicContact CG2-CB 3.74Å; I105-E107 HydrophobicContact CG2-CG 4.27Å; I105-M140 HydrophobicContact CD1-CG 4.14Å; I105-M140 HydrophobicContact CD1-SD 3.24Å; I105-M140 WeakPolarHBondContact CD1-SD 3.48Å
106N60.6Low78.7Confident146 Ų14671.7 Ų71.778%0.78136%0.361SS*.  trans-86.6-4.7177.8-72.1-5.9000112.5
107E70.1Confident78.6Confident149 Ų14974.4 Ų74.470%0.69637%0.374SS*.SBendtrans-78.9135177.4-65.6-177.6173.100110.9I105I105-E107 VanDerWaalsContact C-N 3.31Å; I105-E107 HydrophobicContact CG2-CB 3.74Å; I105-E107 HydrophobicContact CG2-CG 4.27Å
108P75.2Confident78.7Confident69 Ų6973.6 Ų73.645%0.44837%0.369SS..PPolyproline II helixtrans-69.3137.8177.128.1-33.4000111.6L184 I186P108-L184 CarbonylContact C-O 3.54Å; P108-L184 VanDerWaalsContact CA-O 3.29Å; P108-L184 WeakPolarHBondContact CA-O 3.39Å; P108-L184 HydrophobicContact CB-CB 4.22Å; P108-I186 HydrophobicContact CB-CB 4.42Å; P108-I186 HydrophobicContact CB-CD1 3.97Å; P108-I186 HydrophobicContact CB-CG1 4.04Å; P108-I186 HydrophobicContact CB-CG2 3.56Å; P108-I186 HydrophobicContact CG-CD1 4.07Å; P108-I186 HydrophobicContact CG-CG2 4.37Å
109L82.2Confident78.7Confident14 Ų1473.9 Ų73.97%0.07337%0.373CS..EExtended strand (participates in β ladder)trans-89.6130.6173.4-56.8-177.2000110.8S111 M114 F137 M140 L142 L183 L184 L185 I186L109-S111 PolarHBondContact O-N 3.49Å; L109-M114 HydrophobicContact CB-SD 3.65Å; L109-M114 HydrophobicContact CD1-CE 4.47Å; L109-M114 HydrophobicContact CD1-SD 4.01Å; L109-M114 HydrophobicContact CG-SD 4.48Å; L109-F137 HydrophobicContact CD2-CD1 4.36Å; L109-F137 HydrophobicContact CD2-CE1 4.27Å; L109-M140 HydrophobicContact CD2-CE 3.59Å; L109-L142 HydrophobicContact CD1-CD1 4.14Å; L109-L183 HydrophobicContact CD1-CD2 3.56Å; L109-L183 HydrophobicContact CG-CD2 4.31Å; L109-L184 PolarHBondContact N-O 2.62Å; L109-L185 HydrophobicContact CB-CD2 4.12Å; L109-I186 WeakPolarHBondContact O-CG1 3.45Å; L109-I186 PolarHBondContact O-N 2.91Å
110D85.4Confident78.8Confident67 Ų6776.2 Ų76.236%0.35838%0.382SS..EExtended strand (participates in β ladder)trans-73.5103.1175.2-175.2-12.7000111.2D112 R113 M114D110-D112 VanDerWaalsContact C-N 3.32Å; D110-D112 PolarHBondContact O-N 3.19Å; D110-D112 PolarHBondContact OD1-N 2.88Å; D110-R113 HydrophobicContact CB-CB 4Å; D110-R113 PolarHBondContact O-N 3.48Å; D110-R113 PolarHBondContact OD1-N 3.11Å; D110-M114 VanDerWaalsContact O-CG 3.25Å; D110-M114 WeakPolarHBondContact O-CG 3.25Å; D110-M114 PolarHBondContact O-N 2.88Å
111S86.7Confident79.1Confident0 Ų075.2 Ų75.20%038%0.375CS..Hα-helixtrans-66-30.5-177.967.70000112.8L109 M114 A115 W175 I186 G187 A189 A190L109-S111 PolarHBondContact O-N 3.49Å; S111-M114 PolarHBondContact O-N 3.02Å; S111-A115 WeakPolarHBondContact O-CB 3.38Å; S111-A115 PolarHBondContact O-N 2.82Å; S111-W175 PolarHBondContact O-NE1 3.32Å; S111-I186 WeakPolarHBondContact CA-O 3.02Å; S111-I186 WeakPolarHBondContact CB-O 3.19Å; S111-I186 PolarHBondContact N-O 3.25Å; S111-I186 PolarHBondContact OG-O 3.43Å; S111-G187 WeakPolarHBondContact OG-CA 3.45Å; S111-A189 WeakPolarHBondContact O-CB 3.13Å; S111-A190 PolarHBondContact OG-N 2.89Å; S111-A190 VanDerWaalsContact OG-N 3.1Å
112D85Confident80Confident66 Ų6666.9 Ų66.935%0.35334%0.339SS..Hα-helixtrans-70.2-43.1177.5-66.2-40.1000109.7D110 A115 L116 G187 K188 A189D110-D112 VanDerWaalsContact C-N 3.32Å; D110-D112 PolarHBondContact O-N 3.19Å; D110-D112 PolarHBondContact OD1-N 2.88Å; D112-A115 PolarHBondContact O-N 3.48Å; D112-L116 PolarHBondContact O-N 3.03Å; D112-L116 VanDerWaalsContact O-N 3.09Å; D112-G187 VanDerWaalsContact OD2-CA 3.31Å; D112-G187 WeakPolarHBondContact OD2-CA 3.22Å; D112-K188 VanDerWaalsContact CG-N 3.31Å; D112-K188 WeakPolarHBondContact OD1-CB 3.44Å; D112-K188 PolarHBondContact OD1-N 2.82Å; D112-K188 PolarHBondContact OD2-N 3Å; D112-A189 PolarHBondContact OD1-N 2.99Å
113R87.8Confident80.7Confident113 Ų11359.3 Ų59.343%0.42631%0.312SS..Hα-helixtrans-66.5-40.6173.6-170.6179.4167.3178.6-5.2112.2D110 A115 L116 E117 F137 N138D110-R113 HydrophobicContact CB-CB 4Å; D110-R113 PolarHBondContact O-N 3.48Å; D110-R113 PolarHBondContact OD1-N 3.11Å; R113-A115 VanDerWaalsContact C-N 3.35Å; R113-L116 PolarHBondContact O-N 3.22Å; R113-E117 IonicContact CZ-OE1 3.94Å; R113-E117 IonicContact NE-OE1 3.12Å; R113-E117 PolarHBondContact NE-OE1 2.86Å; R113-E117 IonicContact NH2-OE1 3.43Å; R113-E117 PolarHBondContact NH2-OE1 2.75Å; R113-E117 VanDerWaalsContact NH2-OE1 3.12Å; R113-E117 PolarHBondContact O-N 3.07Å; R113-F137 HydrophobicContact CB-CZ 4.36Å; R113-F137 HydrophobicContact CG-CE2 4.03Å; R113-F137 HydrophobicContact CG-CZ 4.19Å; R113-N138 PolarHBondContact NH2-OD1 2.91Å
114M90.9Very high81.6Confident0 Ų059.2 Ų59.20%031%0.313CS..Hα-helixtrans-60.5-44.1174.6-73.5173.465.600111.6V96 L109 D110 S111 L116 E117 F118 Y135 F137 L142 W175 L185V96-M114 HydrophobicContact CG1-CE 4.44Å; V96-M114 HydrophobicContact CG2-CE 4.24Å; L109-M114 HydrophobicContact CB-SD 3.65Å; L109-M114 HydrophobicContact CD1-CE 4.47Å; L109-M114 HydrophobicContact CD1-SD 4.01Å; L109-M114 HydrophobicContact CG-SD 4.48Å; D110-M114 VanDerWaalsContact O-CG 3.25Å; D110-M114 WeakPolarHBondContact O-CG 3.25Å; D110-M114 PolarHBondContact O-N 2.88Å; S111-M114 PolarHBondContact O-N 3.02Å; M114-L116 PolarHBondContact O-N 3.28Å; M114-E117 PolarHBondContact O-N 2.93Å; M114-F118 WeakPolarHBondContact O-CB 3.46Å; M114-F118 PolarHBondContact O-N 2.91Å; M114-Y135 HydrophobicContact CB-CE1 4.35Å; M114-Y135 HydrophobicContact CE-CE1 4.17Å; M114-Y135 HydrophobicContact CG-CE1 4.4Å; M114-Y135 PolarHBondContact O-OH 2.98Å; M114-F137 HydrophobicContact CG-CD1 3.83Å; M114-F137 HydrophobicContact CG-CD2 4Å; M114-F137 HydrophobicContact CG-CE1 3.66Å; M114-F137 HydrophobicContact CG-CE2 3.84Å; M114-F137 HydrophobicContact CG-CG 3.99Å; M114-F137 HydrophobicContact CG-CZ 3.65Å; M114-F137 HydrophobicContact SD-CD1 4.45Å; M114-F137 HydrophobicContact SD-CE1 4.4Å; M114-L142 HydrophobicContact CE-CD1 3.81Å; M114-W175 HydrophobicContact CB-CZ2 3.9Å; M114-W175 HydrophobicContact CE-CD2 4.08Å; M114-W175 HydrophobicContact CE-CE3 4.1Å; M114-W175 HydrophobicContact CE-CH2 4.24Å; M114-W175 HydrophobicContact CE-CZ2 4.24Å; M114-W175 HydrophobicContact CE-CZ3 4.18Å; M114-L185 HydrophobicContact CE-CD2 4.38Å; M114-L185 HydrophobicContact SD-CD2 4Å
115A88.9Confident82.9Confident14 Ų1455.7 Ų55.712%0.11629%0.289CS..Hα-helixtrans-60.5-45.5177.400000111.4S111 D112 R113 F118 S119 I173 A189S111-A115 WeakPolarHBondContact O-CB 3.38Å; S111-A115 PolarHBondContact O-N 2.82Å; D112-A115 PolarHBondContact O-N 3.48Å; R113-A115 VanDerWaalsContact C-N 3.35Å; A115-F118 PolarHBondContact O-N 3.03Å; A115-S119 WeakPolarHBondContact O-CB 3.29Å; A115-S119 PolarHBondContact O-N 3.22Å; A115-S119 PolarHBondContact O-OG 2.78Å; A115-I173 HydrophobicContact CB-CB 3.95Å; A115-I173 HydrophobicContact CB-CG2 4.21Å; A115-I173 WeakPolarHBondContact O-CD1 3.07Å; A115-A189 HydrophobicContact CB-CB 4.09Å
116L86.1Confident84.3Confident98 Ų9853.3 Ų53.351%0.51328%0.276SS..Hα-helixtrans-61-53.5177.5-172.472.6000111.6D112 R113 M114 F118 S119 M120D112-L116 PolarHBondContact O-N 3.03Å; D112-L116 VanDerWaalsContact O-N 3.09Å; R113-L116 PolarHBondContact O-N 3.22Å; M114-L116 PolarHBondContact O-N 3.28Å; L116-F118 VanDerWaalsContact C-N 3.32Å; L116-F118 PolarHBondContact O-N 2.96Å; L116-S119 PolarHBondContact O-N 2.96Å; L116-S119 PolarHBondContact O-OG 3.38Å; L116-M120 HydrophobicContact CD1-CE 3.88Å; L116-M120 HydrophobicContact CD2-CE 4.23Å; L116-M120 HydrophobicContact CG-CE 3.86Å; L116-M120 WeakPolarHBondContact O-CG 3.48Å; L116-M120 PolarHBondContact O-N 2.84Å; L116-M120 VanDerWaalsContact O-N 3.13Å
117E88.4Confident85.8Confident56 Ų5646.3 Ų46.326%0.26224%0.239SC..Hα-helixtrans-63.4-36.9-179.5-74.6-174.3-154.300111.9R113 M114 M120 Q121 Y135 F137R113-E117 IonicContact CZ-OE1 3.94Å; R113-E117 IonicContact NE-OE1 3.12Å; R113-E117 PolarHBondContact NE-OE1 2.86Å; R113-E117 IonicContact NH2-OE1 3.43Å; R113-E117 PolarHBondContact NH2-OE1 2.75Å; R113-E117 VanDerWaalsContact NH2-OE1 3.12Å; R113-E117 PolarHBondContact O-N 3.07Å; M114-E117 PolarHBondContact O-N 2.93Å; E117-M120 PolarHBondContact O-N 2.85Å; E117-Q121 WeakPolarHBondContact O-CB 3.48Å; E117-Q121 PolarHBondContact O-N 3.44Å; E117-Y135 WeakPolarHBondContact CB-OH 3.35Å; E117-F137 VanDerWaalsContact OE2-CD2 3.22Å; E117-F137 WeakPolarHBondContact OE2-CD2 3.13Å
118F91.2Very high86.8Confident0 Ų040.4 Ų40.40%021%0.213CC..Hα-helixtrans-65-44.8175.7-173.3-82000112.1L94 M114 A115 L116 M120 Q121 F122 I133 Y135 V144 L167 I173 W175L94-F118 HydrophobicContact CD1-CD1 4.02Å; L94-F118 HydrophobicContact CD1-CD2 4.42Å; L94-F118 HydrophobicContact CD1-CE1 3.55Å; L94-F118 HydrophobicContact CD1-CE2 4.01Å; L94-F118 HydrophobicContact CD1-CG 4.42Å; L94-F118 HydrophobicContact CD1-CZ 3.54Å; M114-F118 WeakPolarHBondContact O-CB 3.46Å; M114-F118 PolarHBondContact O-N 2.91Å; A115-F118 PolarHBondContact O-N 3.03Å; L116-F118 VanDerWaalsContact C-N 3.32Å; L116-F118 PolarHBondContact O-N 2.96Å; F118-M120 VanDerWaalsContact C-N 3.27Å; F118-M120 PolarHBondContact O-N 2.69Å; F118-Q121 PolarHBondContact O-N 2.85Å; F118-F122 AromaticContact CD1-CD2 3.97Å; F118-F122 HydrophobicContact CD1-CD2 3.97Å; F118-F122 AromaticContact CD2-CD2 3.56Å; F118-F122 HydrophobicContact CD2-CD2 3.56Å; F118-F122 AromaticContact CD2-CE2 3.61Å; F118-F122 HydrophobicContact CD2-CE2 3.61Å; F118-F122 HydrophobicContact CE1-CB 4.36Å; F118-F122 AromaticContact CE1-CD2 3.89Å; F118-F122 HydrophobicContact CE1-CD2 3.89Å; F118-F122 HydrophobicContact CE1-CG 4.45Å; F118-F122 AromaticContact CE2-CD2 3.46Å; F118-F122 HydrophobicContact CE2-CD2 3.46Å; F118-F122 VanDerWaalsContact CE2-CD2 3.46Å; F118-F122 AromaticContact CE2-CE2 3.47Å; F118-F122 HydrophobicContact CE2-CE2 3.47Å; F118-F122 VanDerWaalsContact CE2-CE2 3.47Å; F118-F122 HydrophobicContact CE2-CG 4.5Å; F118-F122 AromaticContact CG-CD2 3.83Å; F118-F122 HydrophobicContact CG-CD2 3.83Å; F118-F122 HydrophobicContact CG-CE2 4.32Å; F118-F122 AromaticContact CZ-CD2 3.64Å; F118-F122 HydrophobicContact CZ-CD2 3.64Å; F118-F122 HydrophobicContact CZ-CE2 4.08Å; F118-F122 HydrophobicContact CZ-CG 4.32Å; F118-F122 WeakPolarHBondContact O-CD2 3.5Å; F118-F122 PolarHBondContact O-N 2.83Å; F118-I133 HydrophobicContact CZ-CD1 4.4Å; F118-Y135 HydrophobicContact CB-CE2 4.13Å; F118-Y135 HydrophobicContact CD2-CD1 4.2Å; F118-Y135 AromaticContact CD2-CD2 3.84Å; F118-Y135 HydrophobicContact CD2-CD2 3.84Å; F118-Y135 HydrophobicContact CD2-CE2 4.21Å; F118-Y135 AromaticContact CD2-CG 3.85Å; F118-Y135 HydrophobicContact CD2-CG 3.85Å; F118-Y135 HydrophobicContact CE2-CG 4.43Å; F118-V144 HydrophobicContact CE2-CG1 4.22Å; F118-V144 HydrophobicContact CE2-CG2 4.39Å; F118-L167 HydrophobicContact CD1-CD2 4.22Å; F118-L167 HydrophobicContact CE1-CD2 4.02Å; F118-I173 HydrophobicContact CB-CD1 4.18Å; F118-I173 HydrophobicContact CD1-CD1 3.51Å; F118-I173 HydrophobicContact CD1-CG1 4.37Å; F118-I173 HydrophobicContact CE1-CD1 4.36Å; F118-I173 HydrophobicContact CG-CD1 4.25Å; F118-W175 HydrophobicContact CB-CH2 4.22Å; F118-W175 HydrophobicContact CB-CZ2 3.82Å; F118-W175 AromaticContact CD2-CH2 3.57Å; F118-W175 HydrophobicContact CD2-CH2 3.57Å; F118-W175 HydrophobicContact CD2-CZ2 4.06Å; F118-W175 HydrophobicContact CE2-CH2 4.13Å; F118-W175 AromaticContact CG-CH2 4Å; F118-W175 HydrophobicContact CG-CH2 4Å; F118-W175 HydrophobicContact CG-CZ2 4.02Å
119S86.1Confident87.6Confident17 Ų1740.1 Ų40.112%0.11921%0.21CC..Hα-helixtrans-61.1-36.7177.571.10000112.4A115 L116 A123A115-S119 WeakPolarHBondContact O-CB 3.29Å; A115-S119 PolarHBondContact O-N 3.22Å; A115-S119 PolarHBondContact O-OG 2.78Å; L116-S119 PolarHBondContact O-N 2.96Å; L116-S119 PolarHBondContact O-OG 3.38Å; S119-A123 WeakPolarHBondContact O-CA 3.23Å; S119-A123 WeakPolarHBondContact O-CB 3.35Å; S119-A123 PolarHBondContact O-N 2.95Å; S119-A123 VanDerWaalsContact O-N 3.16Å
120M84.7Confident88Confident131 Ų13140.6 Ų40.665%0.64522%0.218SC*.Hα-helixtrans-71.8-44.5176.2-68.6179.9179.800111.9L116 E117 F118L116-M120 HydrophobicContact CD1-CE 3.88Å; L116-M120 HydrophobicContact CD2-CE 4.23Å; L116-M120 HydrophobicContact CG-CE 3.86Å; L116-M120 WeakPolarHBondContact O-CG 3.48Å; L116-M120 PolarHBondContact O-N 2.84Å; L116-M120 VanDerWaalsContact O-N 3.13Å; E117-M120 PolarHBondContact O-N 2.85Å; F118-M120 VanDerWaalsContact C-N 3.27Å; F118-M120 PolarHBondContact O-N 2.69Å
121Q86.6Confident88.3Confident66 Ų6637.4 Ų37.431%0.30820%0.201SC..Hα-helixtrans-67.8-40-177.6-177.5175.4-13.400112.4L15 E117 F118L15-Q121 PolarHBondContact O-NE2 2.87Å; L15-Q121 VanDerWaalsContact O-NE2 3.1Å; E117-Q121 WeakPolarHBondContact O-CB 3.48Å; E117-Q121 PolarHBondContact O-N 3.44Å; F118-Q121 PolarHBondContact O-N 2.85Å
122F89.1Confident88.5Confident0 Ų040.2 Ų40.20%021%0.214CC..THydrogen-bonded Turntrans-105.520.3-175.7-61.6-70.9000113.3L15 N17 F118 D124 T125 I133 Y135 L167L15-F122 VanDerWaalsContact O-CE1 3.29Å; L15-F122 WeakPolarHBondContact O-CE1 3.33Å; L15-F122 WeakPolarHBondContact O-CZ 3.3Å; N17-F122 HydrophobicContact CB-CD1 4.05Å; N17-F122 HydrophobicContact CB-CE1 3.75Å; F118-F122 AromaticContact CD1-CD2 3.97Å; F118-F122 HydrophobicContact CD1-CD2 3.97Å; F118-F122 AromaticContact CD2-CD2 3.56Å; F118-F122 HydrophobicContact CD2-CD2 3.56Å; F118-F122 AromaticContact CD2-CE2 3.61Å; F118-F122 HydrophobicContact CD2-CE2 3.61Å; F118-F122 HydrophobicContact CE1-CB 4.36Å; F118-F122 AromaticContact CE1-CD2 3.89Å; F118-F122 HydrophobicContact CE1-CD2 3.89Å; F118-F122 HydrophobicContact CE1-CG 4.45Å; F118-F122 AromaticContact CE2-CD2 3.46Å; F118-F122 HydrophobicContact CE2-CD2 3.46Å; F118-F122 VanDerWaalsContact CE2-CD2 3.46Å; F118-F122 AromaticContact CE2-CE2 3.47Å; F118-F122 HydrophobicContact CE2-CE2 3.47Å; F118-F122 VanDerWaalsContact CE2-CE2 3.47Å; F118-F122 HydrophobicContact CE2-CG 4.5Å; F118-F122 AromaticContact CG-CD2 3.83Å; F118-F122 HydrophobicContact CG-CD2 3.83Å; F118-F122 HydrophobicContact CG-CE2 4.32Å; F118-F122 AromaticContact CZ-CD2 3.64Å; F118-F122 HydrophobicContact CZ-CD2 3.64Å; F118-F122 HydrophobicContact CZ-CE2 4.08Å; F118-F122 HydrophobicContact CZ-CG 4.32Å; F118-F122 WeakPolarHBondContact O-CD2 3.5Å; F118-F122 PolarHBondContact O-N 2.83Å; F122-D124 PolarHBondContact O-N 3.2Å; F122-T125 WeakPolarHBondContact O-CB 3.44Å; F122-T125 PolarHBondContact O-N 3.19Å; F122-T125 PolarHBondContact O-OG1 3.44Å; F122-I133 HydrophobicContact CD1-CG2 4.36Å; F122-I133 HydrophobicContact CE1-CG2 3.62Å; F122-I133 HydrophobicContact CE2-CG2 4.01Å; F122-I133 HydrophobicContact CZ-CG2 3.41Å; F122-I133 VanDerWaalsContact CZ-CG2 3.41Å; F122-Y135 AromaticContact CE2-CD2 3.89Å; F122-Y135 HydrophobicContact CE2-CD2 3.89Å; F122-Y135 HydrophobicContact CE2-CG 4.47Å; F122-L167 HydrophobicContact CB-CD2 3.74Å; F122-L167 WeakPolarHBondContact O-CD2 3.41Å
123A82.1Confident88.8Confident34 Ų3437.1 Ų37.128%0.28120%0.198SC..THydrogen-bonded Turntrans-48.8133.5177.800000111.8S119 T125S119-A123 WeakPolarHBondContact O-CA 3.23Å; S119-A123 WeakPolarHBondContact O-CB 3.35Å; S119-A123 PolarHBondContact O-N 2.95Å; S119-A123 VanDerWaalsContact O-N 3.16Å; A123-T125 PolarHBondContact O-N 3.14Å; A123-T125 PolarHBondContact O-OG1 3.47Å
124D82.9Confident89Confident78 Ų7833 Ų3342%0.41718%0.184SC..THydrogen-bonded Turntrans54.930.3-177.4-46.3-41.5000114.3R45 F122 M166 L167R45-D124 WeakPolarHBondContact CD-O 3.46Å; R45-D124 PolarHBondContact NH1-O 3.47Å; R45-D124 IonicContact NH2-OD2 3.29Å; F122-D124 PolarHBondContact O-N 3.2Å; D124-M166 HydrophobicContact CB-SD 4.44Å; D124-L167 VanDerWaalsContact CA-O 3.23Å; D124-L167 WeakPolarHBondContact CA-O 3.14Å; D124-L167 PolarHBondContact N-O 3.35Å
125T88Confident89Confident1 Ų133 Ų331%0.00618%0.184CC..  trans-97.5134.2175.5-52.60000109.7F122 A123 L127 L167F122-T125 WeakPolarHBondContact O-CB 3.44Å; F122-T125 PolarHBondContact O-N 3.19Å; F122-T125 PolarHBondContact O-OG1 3.44Å; A123-T125 PolarHBondContact O-N 3.14Å; A123-T125 PolarHBondContact O-OG1 3.47Å; T125-L127 PolarHBondContact O-N 2.89Å; T125-L167 WeakPolarHBondContact O-CB 3.3Å; T125-L167 PolarHBondContact O-N 3.23Å
126P91.5Very high89Confident0 Ų037 Ų370%020%0.196CC..EExtended strand (participates in β ladder)trans-69.2132.917430.2-35.2000110.4V43 F82 Q131 M166V43-P126 HydrophobicContact CG1-CB 4.12Å; V43-P126 HydrophobicContact CG1-CG 4.15Å; F82-P126 HydrophobicContact CE1-CB 4.32Å; F82-P126 HydrophobicContact CE2-CB 3.82Å; F82-P126 HydrophobicContact CE2-CG 4.43Å; F82-P126 HydrophobicContact CZ-CB 3.37Å; F82-P126 HydrophobicContact CZ-CG 4.39Å; P126-Q131 PolarHBondContact O-OE1 3.09Å; P126-M166 HydrophobicContact CB-CE 4.45Å
127L92.1Very high89.1Confident0 Ų032.5 Ų32.50%017%0.172CC..EExtended strand (participates in β ladder)trans-111.7134.2173.5-60.7-178.8000109.8L89 T125 I133 V146 L149 I164 G165 L167L89-L127 HydrophobicContact CD1-CB 4.09Å; L89-L127 HydrophobicContact CD1-CD1 3.95Å; L89-L127 HydrophobicContact CD1-CG 4.3Å; T125-L127 PolarHBondContact O-N 2.89Å; L127-I133 HydrophobicContact CD2-CD1 3.37Å; L127-V146 HydrophobicContact CB-CG2 4.41Å; L127-V146 HydrophobicContact CD2-CG2 4.32Å; L127-L149 HydrophobicContact CB-CD1 4.25Å; L127-L149 HydrophobicContact CB-CD2 4.26Å; L127-L149 VanDerWaalsContact O-CD1 3.25Å; L127-L149 WeakPolarHBondContact O-CD1 3.37Å; L127-I164 CarbonylContact O-C 3.58Å; L127-I164 WeakPolarHBondContact O-CA 3.17Å; L127-I164 WeakPolarHBondContact O-CG1 3.19Å; L127-G165 PolarHBondContact N-O 3.19Å; L127-G165 PolarHBondContact O-N 3.49Å; L127-L167 HydrophobicContact CD1-CB 4.15Å; L127-L167 HydrophobicContact CD1-CD1 3.94Å; L127-L167 HydrophobicContact CD1-CD2 4.49Å; L127-L167 HydrophobicContact CD1-CG 4.43Å; L127-L167 HydrophobicContact CG-CB 4.3Å
128T92.1Very high88.7Confident25 Ų2533.8 Ų33.815%0.15318%0.181CC..EExtended strand (participates in β ladder)trans-119.4140.4174.7-55.70000109.4W66 G130 Q131 V146 K163W66-T128 HydrophobicContact CH2-CG2 4.16Å; W66-T128 HydrophobicContact CZ2-CG2 3.97Å; T128-G130 PolarHBondContact O-N 3.39Å; T128-Q131 VanDerWaalsContact N-OE1 3.09Å; T128-Q131 WeakPolarHBondContact O-CB 3.21Å; T128-Q131 PolarHBondContact O-N 2.96Å; T128-V146 WeakPolarHBondContact O-CB 3.17Å; T128-K163 WeakPolarHBondContact CA-O 3.23Å; T128-K163 WeakPolarHBondContact CG2-O 3.44Å
129V91.5Very high88.1Confident63 Ų6343.5 Ų43.538%0.38222%0.223SC..THydrogen-bonded Turntrans-57.1130.6174.5177.50000110.1K147 L149 S162 K163V129-K147 WeakPolarHBondContact CG1-O 3.29Å; V129-L149 HydrophobicContact CG2-CB 4.34Å; V129-L149 HydrophobicContact CG2-CD1 3.97Å; V129-L149 HydrophobicContact CG2-CG 3.95Å; V129-S162 WeakPolarHBondContact CG2-O 3.5Å; V129-K163 PolarHBondContact N-O 3.23Å
130G90.3Very high88.1Confident23 Ų2343.7 Ų43.724%0.23722%0.222CC..THydrogen-bonded Turntrans87.3-2.8-174.300000115W66 T128 V146W66-G130 PolarHBondContact NE1-O 3.04Å; T128-G130 PolarHBondContact O-N 3.39Å; G130-V146 PolarHBondContact N-O 2.95Å
131Q92.2Very high88.2Confident1 Ų139.7 Ų39.71%0.00521%0.205CC..  trans-68.6132.7179.3-175.5176.818.100112.1N17 W66 P126 T128 I133 E145 V146N17-Q131 PolarHBondContact ND2-NE2 2.78Å; W66-Q131 HydrophobicContact CD2-CB 4.19Å; W66-Q131 HydrophobicContact CD2-CG 4.07Å; W66-Q131 VanDerWaalsContact CE2-CA 3.46Å; W66-Q131 HydrophobicContact CE3-CB 4.32Å; W66-Q131 HydrophobicContact CE3-CG 3.77Å; W66-Q131 HydrophobicContact CH2-CB 3.8Å; W66-Q131 HydrophobicContact CH2-CG 3.83Å; W66-Q131 HydrophobicContact CZ2-CB 3.67Å; W66-Q131 HydrophobicContact CZ2-CG 4.14Å; W66-Q131 HydrophobicContact CZ3-CB 4.13Å; W66-Q131 HydrophobicContact CZ3-CG 3.64Å; P126-Q131 PolarHBondContact O-OE1 3.09Å; T128-Q131 VanDerWaalsContact N-OE1 3.09Å; T128-Q131 WeakPolarHBondContact O-CB 3.21Å; T128-Q131 PolarHBondContact O-N 2.96Å; Q131-I133 HydrophobicContact CG-CD1 4.37Å; Q131-I133 HydrophobicContact CG-CG1 4Å; Q131-E145 WeakPolarHBondContact O-CA 3.46Å; Q131-V146 HydrophobicContact CB-CG2 4.09Å; Q131-V146 PolarHBondContact O-N 3.38Å
132H91.1Very high88.3Confident59 Ų5936.5 Ų36.527%0.27319%0.191SC..EExtended strand (participates in β ladder)trans-95.7126.6173.2-63.2119.8000111.6L143 V144H132-L143 HydrophobicContact CB-CD1 4.33Å; H132-V144 CarbonylContact C-O 3.6Å; H132-V144 WeakPolarHBondContact CA-O 3.24Å
133I92Very high88.4Confident1 Ų138.8 Ų38.81%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-127.6136.7-176.5-55.2179.1000108.9N17 F118 F122 L127 Q131 V144 V146N17-I133 HydrophobicContact CB-CG2 4.15Å; N17-I133 WeakPolarHBondContact ND2-CD1 3.33Å; F118-I133 HydrophobicContact CZ-CD1 4.4Å; F122-I133 HydrophobicContact CD1-CG2 4.36Å; F122-I133 HydrophobicContact CE1-CG2 3.62Å; F122-I133 HydrophobicContact CE2-CG2 4.01Å; F122-I133 HydrophobicContact CZ-CG2 3.41Å; F122-I133 VanDerWaalsContact CZ-CG2 3.41Å; L127-I133 HydrophobicContact CD2-CD1 3.37Å; Q131-I133 HydrophobicContact CG-CD1 4.37Å; Q131-I133 HydrophobicContact CG-CG1 4Å; I133-V144 HydrophobicContact CB-CB 4.39Å; I133-V144 PolarHBondContact N-O 3.35Å; I133-V144 PolarHBondContact O-N 2.82Å; I133-V146 HydrophobicContact CD1-CG2 4.3Å
134L91.6Very high88.9Confident27 Ų2737.1 Ų37.114%0.14119%0.189CC..EExtended strand (participates in β ladder)trans-91118.2170.5-67.2174.2000108.9L15 A62 N99 T141 L143L15-L134 HydrophobicContact CD2-CB 3.74Å; A62-L134 HydrophobicContact CB-CD1 4.21Å; A62-L134 HydrophobicContact CB-CG 3.96Å; N99-L134 HydrophobicContact CB-CD2 4.3Å; L134-T141 HydrophobicContact CB-CG2 4.4Å; L134-T141 HydrophobicContact CD2-CG2 4.2Å; L134-L143 HydrophobicContact CD2-CD1 3.98Å
135Y90.9Very high89.4Confident0 Ų035 Ų350%018%0.176CC..EExtended strand (participates in β ladder)trans-112.1133.2-178.9171.9-132.5000109.8M114 E117 F118 F122 F137 L142 V144 W175M114-Y135 HydrophobicContact CB-CE1 4.35Å; M114-Y135 HydrophobicContact CE-CE1 4.17Å; M114-Y135 HydrophobicContact CG-CE1 4.4Å; M114-Y135 PolarHBondContact O-OH 2.98Å; E117-Y135 WeakPolarHBondContact CB-OH 3.35Å; F118-Y135 HydrophobicContact CB-CE2 4.13Å; F118-Y135 HydrophobicContact CD2-CD1 4.2Å; F118-Y135 AromaticContact CD2-CD2 3.84Å; F118-Y135 HydrophobicContact CD2-CD2 3.84Å; F118-Y135 HydrophobicContact CD2-CE2 4.21Å; F118-Y135 AromaticContact CD2-CG 3.85Å; F118-Y135 HydrophobicContact CD2-CG 3.85Å; F118-Y135 HydrophobicContact CE2-CG 4.43Å; F122-Y135 AromaticContact CE2-CD2 3.89Å; F122-Y135 HydrophobicContact CE2-CD2 3.89Å; F122-Y135 HydrophobicContact CE2-CG 4.47Å; Y135-F137 HydrophobicContact CD1-CB 4.35Å; Y135-F137 HydrophobicContact CE1-CB 3.7Å; Y135-F137 HydrophobicContact CE1-CD2 4.39Å; Y135-F137 HydrophobicContact CE1-CG 4.25Å; Y135-F137 WeakPolarHBondContact OH-CD2 3.45Å; Y135-L142 HydrophobicContact CD1-CB 4.48Å; Y135-L142 HydrophobicContact CD1-CD1 4.16Å; Y135-L142 HydrophobicContact CE1-CD1 4.45Å; Y135-L142 PolarHBondContact N-O 2.87Å; Y135-L142 PolarHBondContact O-N 3.5Å; Y135-V144 HydrophobicContact CD1-CG2 4.29Å; Y135-V144 HydrophobicContact CG-CG2 4.39Å; Y135-W175 AromaticContact CD1-CH2 3.94Å; Y135-W175 HydrophobicContact CD1-CH2 3.94Å; Y135-W175 HydrophobicContact CE1-CH2 4.02Å; Y135-W175 HydrophobicContact CE1-CZ2 4.26Å
136R89.1Confident89.6Confident98 Ų9835 Ų3537%0.3718%0.176SC..EExtended strand (participates in β ladder)trans-106.3116179.2-176.1-178.6-78.1167.3-7.7109.3L15 M140L15-R136 HydrophobicContact CD1-CB 4.36Å; R136-M140 CarbonylContact C-O 3.58Å; R136-M140 VanDerWaalsContact CA-O 3.28Å; R136-M140 WeakPolarHBondContact CA-O 3.46Å
137F86.9Confident89.6Confident3 Ų339.2 Ų39.21%0.01320%0.195CC..EExtended strand (participates in β ladder)trans-128.5125.4178.8-175.6-113000109.9L109 R113 M114 E117 Y135 K139 M140 L142L109-F137 HydrophobicContact CD2-CD1 4.36Å; L109-F137 HydrophobicContact CD2-CE1 4.27Å; R113-F137 HydrophobicContact CB-CZ 4.36Å; R113-F137 HydrophobicContact CG-CE2 4.03Å; R113-F137 HydrophobicContact CG-CZ 4.19Å; M114-F137 HydrophobicContact CG-CD1 3.83Å; M114-F137 HydrophobicContact CG-CD2 4Å; M114-F137 HydrophobicContact CG-CE1 3.66Å; M114-F137 HydrophobicContact CG-CE2 3.84Å; M114-F137 HydrophobicContact CG-CG 3.99Å; M114-F137 HydrophobicContact CG-CZ 3.65Å; M114-F137 HydrophobicContact SD-CD1 4.45Å; M114-F137 HydrophobicContact SD-CE1 4.4Å; E117-F137 VanDerWaalsContact OE2-CD2 3.22Å; E117-F137 WeakPolarHBondContact OE2-CD2 3.13Å; Y135-F137 HydrophobicContact CD1-CB 4.35Å; Y135-F137 HydrophobicContact CE1-CB 3.7Å; Y135-F137 HydrophobicContact CE1-CD2 4.39Å; Y135-F137 HydrophobicContact CE1-CG 4.25Å; Y135-F137 WeakPolarHBondContact OH-CD2 3.45Å; F137-K139 VanDerWaalsContact C-N 3.32Å; F137-K139 PolarHBondContact O-N 3.2Å; F137-M140 HydrophobicContact CD1-CE 4.15Å; F137-M140 PolarHBondContact N-O 3.18Å; F137-M140 WeakPolarHBondContact O-CA 3.25Å; F137-M140 WeakPolarHBondContact O-CB 3.35Å; F137-M140 WeakPolarHBondContact O-CE 3.36Å; F137-M140 PolarHBondContact O-N 2.97Å; F137-L142 HydrophobicContact CB-CD1 4.18Å
138N80.8Confident89.5Confident83 Ų8342.5 Ų42.544%0.44421%0.209SC..THydrogen-bonded Turntrans45.349.9179.4-71.1-24.8000114.3R113 M140R113-N138 PolarHBondContact NH2-OD1 2.91Å; N138-M140 HydrophobicContact CB-CE 4.14Å; N138-M140 PolarHBondContact O-N 2.79Å; N138-M140 VanDerWaalsContact O-N 3.16Å
139K79.3Confident89.4Confident204 Ų20441.3 Ų41.389%0.88720%0.201SC*.THydrogen-bonded Turntrans67.9-3.1-176.4-51.6177.6179.4177.20116F137F137-K139 VanDerWaalsContact C-N 3.32Å; F137-K139 PolarHBondContact O-N 3.2Å
140M85Confident89.1Confident20 Ų2038.4 Ų38.410%0.09918%0.184CC..EExtended strand (participates in β ladder)trans-90.4145.2174-58173.2-72.800110.4F98 M103 I105 L109 R136 F137 N138F98-M140 HydrophobicContact CE1-SD 4.28Å; M103-M140 HydrophobicContact CE-CG 4.04Å; I105-M140 HydrophobicContact CD1-CG 4.14Å; I105-M140 HydrophobicContact CD1-SD 3.24Å; I105-M140 WeakPolarHBondContact CD1-SD 3.48Å; L109-M140 HydrophobicContact CD2-CE 3.59Å; R136-M140 CarbonylContact C-O 3.58Å; R136-M140 VanDerWaalsContact CA-O 3.28Å; R136-M140 WeakPolarHBondContact CA-O 3.46Å; F137-M140 HydrophobicContact CD1-CE 4.15Å; F137-M140 PolarHBondContact N-O 3.18Å; F137-M140 WeakPolarHBondContact O-CA 3.25Å; F137-M140 WeakPolarHBondContact O-CB 3.35Å; F137-M140 WeakPolarHBondContact O-CE 3.36Å; F137-M140 PolarHBondContact O-N 2.97Å; N138-M140 HydrophobicContact CB-CE 4.14Å; N138-M140 PolarHBondContact O-N 2.79Å; N138-M140 VanDerWaalsContact O-N 3.16Å
141T86.8Confident88.6Confident47 Ų4737.6 Ų37.629%0.28818%0.175SC..EExtended strand (participates in β ladder)trans-103.9114.7171.5-530000108.7L15 N99 L134L15-T141 HydrophobicContact CD2-CG2 4.38Å; N99-T141 HydrophobicContact CB-CG2 4.13Å; N99-T141 WeakPolarHBondContact CB-O 3.23Å; N99-T141 PolarHBondContact N-O 2.79Å; L134-T141 HydrophobicContact CB-CG2 4.4Å; L134-T141 HydrophobicContact CD2-CG2 4.2Å
142L89.3Confident87.6Confident0 Ų041.7 Ų41.70%020%0.196CC..EExtended strand (participates in β ladder)trans-101.5144.7178.6-58.8175000109.5V96 D97 F98 L109 M114 Y135 F137 L183V96-L142 HydrophobicContact CG2-CB 3.8Å; V96-L142 HydrophobicContact CG2-CD1 3.9Å; V96-L142 HydrophobicContact CG2-CG 4.28Å; D97-L142 CarbonylContact O-C 3.55Å; D97-L142 WeakPolarHBondContact O-CA 3.49Å; F98-L142 HydrophobicContact CD1-CD2 3.95Å; F98-L142 HydrophobicContact CE1-CD2 4.33Å; L109-L142 HydrophobicContact CD1-CD1 4.14Å; M114-L142 HydrophobicContact CE-CD1 3.81Å; Y135-L142 HydrophobicContact CD1-CB 4.48Å; Y135-L142 HydrophobicContact CD1-CD1 4.16Å; Y135-L142 HydrophobicContact CE1-CD1 4.45Å; Y135-L142 PolarHBondContact N-O 2.87Å; Y135-L142 PolarHBondContact O-N 3.5Å; F137-L142 HydrophobicContact CB-CD1 4.18Å; L142-L183 HydrophobicContact CD2-CD1 4.44Å
143L90.6Very high86.3Confident47 Ų4740.4 Ų40.425%0.24619%0.194CC..EExtended strand (participates in β ladder)trans-95.4122.1170.5-178.266.5000107.9V96 D97 N99 H132 L134V96-L143 WeakPolarHBondContact CA-O 3.32Å; D97-L143 PolarHBondContact N-O 3.45Å; D97-L143 PolarHBondContact O-N 3.1Å; N99-L143 HydrophobicContact CB-CB 4.37Å; H132-L143 HydrophobicContact CB-CD1 4.33Å; L134-L143 HydrophobicContact CD2-CD1 3.98Å
144V92.7Very high84.6Confident0 Ų048.1 Ų48.10%023%0.232CC..EExtended strand (participates in β ladder)trans-113131.6-178.5-177.50000109.1L94 A95 V96 F118 H132 I133 Y135 W175L94-V144 HydrophobicContact CB-CG1 3.77Å; L94-V144 HydrophobicContact CD1-CG1 4.06Å; L94-V144 HydrophobicContact CD2-CG1 4.32Å; L94-V144 HydrophobicContact CG-CG1 4.27Å; A95-V144 CarbonylContact O-C 3.6Å; A95-V144 VanDerWaalsContact O-CA 3.3Å; A95-V144 WeakPolarHBondContact O-CA 3.32Å; V96-V144 HydrophobicContact CG2-CG2 4.2Å; F118-V144 HydrophobicContact CE2-CG1 4.22Å; F118-V144 HydrophobicContact CE2-CG2 4.39Å; H132-V144 CarbonylContact C-O 3.6Å; H132-V144 WeakPolarHBondContact CA-O 3.24Å; I133-V144 HydrophobicContact CB-CB 4.39Å; I133-V144 PolarHBondContact N-O 3.35Å; I133-V144 PolarHBondContact O-N 2.82Å; Y135-V144 HydrophobicContact CD1-CG2 4.29Å; Y135-V144 HydrophobicContact CG-CG2 4.39Å; V144-W175 HydrophobicContact CG1-CZ3 3.95Å; V144-W175 HydrophobicContact CG2-CH2 4.22Å; V144-W175 HydrophobicContact CG2-CZ3 3.84Å
145E92.8Very high82.9Confident33 Ų3353 Ų5315%0.15426%0.258CS..EExtended strand (participates in β ladder)trans-116.9127.4174.4-173-166.1159.600109.5A95 Q131 K147 Q178A95-E145 HydrophobicContact CB-CB 4.39Å; A95-E145 PolarHBondContact N-O 2.72Å; A95-E145 PolarHBondContact O-N 2.91Å; Q131-E145 WeakPolarHBondContact O-CA 3.46Å; E145-K147 VanDerWaalsContact CD-CE 3.46Å; E145-K147 PolarHBondContact O-N 3.11Å; E145-K147 WeakPolarHBondContact OE1-CE 3.37Å; E145-K147 IonicContact OE1-NZ 2.83Å; E145-K147 PolarHBondContact OE1-NZ 2.65Å; E145-K147 VanDerWaalsContact OE2-CE 3.26Å; E145-K147 WeakPolarHBondContact OE2-CE 3.41Å; E145-K147 IonicContact OE2-NZ 3.01Å; E145-K147 PolarHBondContact OE2-NZ 3.3Å; E145-Q178 PolarHBondContact OE2-NE2 3.06Å
146V93Very high80.8Confident0 Ų056.7 Ų56.70%030%0.296CS..EExtended strand (participates in β ladder)trans-75.7115.5176.9-177.50000109.6L94 L127 T128 G130 Q131 I133 L149L94-V146 HydrophobicContact CD2-CB 4.25Å; L94-V146 HydrophobicContact CD2-CG1 4.3Å; L94-V146 HydrophobicContact CD2-CG2 3.88Å; L127-V146 HydrophobicContact CB-CG2 4.41Å; L127-V146 HydrophobicContact CD2-CG2 4.32Å; T128-V146 WeakPolarHBondContact O-CB 3.17Å; G130-V146 PolarHBondContact N-O 2.95Å; Q131-V146 HydrophobicContact CB-CG2 4.09Å; Q131-V146 PolarHBondContact O-N 3.38Å; I133-V146 HydrophobicContact CD1-CG2 4.3Å; V146-L149 HydrophobicContact CG1-CD1 4.02Å; V146-L149 HydrophobicContact CG1-CD2 3.58Å; V146-L149 HydrophobicContact CG1-CG 3.73Å
147K90.9Very high79.3Confident89 Ų8954.1 Ų54.139%0.38730%0.3SS..EExtended strand (participates in β ladder)trans-97.8-47.5-177.1-70.8-64.6-171.1-171.30113.8V93 A95 V129 E145 M176V93-K147 HydrophobicContact CG1-CB 4.37Å; V93-K147 PolarHBondContact O-N 3.39Å; A95-K147 HydrophobicContact CB-CD 4.39Å; A95-K147 HydrophobicContact CB-CG 3.74Å; V129-K147 WeakPolarHBondContact CG1-O 3.29Å; E145-K147 VanDerWaalsContact CD-CE 3.46Å; E145-K147 PolarHBondContact O-N 3.11Å; E145-K147 WeakPolarHBondContact OE1-CE 3.37Å; E145-K147 IonicContact OE1-NZ 2.83Å; E145-K147 PolarHBondContact OE1-NZ 2.65Å; E145-K147 VanDerWaalsContact OE2-CE 3.26Å; E145-K147 WeakPolarHBondContact OE2-CE 3.41Å; E145-K147 IonicContact OE2-NZ 3.01Å; E145-K147 PolarHBondContact OE2-NZ 3.3Å; K147-M176 HydrophobicContact CG-SD 4.09Å
148K90Very high77.9Confident69 Ų6958.7 Ų58.730%0.332%0.324SS..EExtended strand (participates in β ladder)trans-140.6141-178.4-172.7-179.5171.7-176.40109.8A92 V93 D160 N161A92-K148 WeakPolarHBondContact CA-O 3.2Å; V93-K148 HydrophobicContact CB-CB 3.98Å; V93-K148 HydrophobicContact CG2-CB 4.08Å; V93-K148 PolarHBondContact N-O 3.09Å; V93-K148 PolarHBondContact O-N 3.38Å; K148-D160 IonicContact NZ-OD1 3.5Å; K148-D160 IonicContact NZ-OD2 3.3Å; K148-D160 PolarHBondContact NZ-OD2 2.81Å; K148-N161 WeakPolarHBondContact CE-OD1 3.21Å
149L89.6Confident77.1Confident0 Ų058.1 Ų58.10%032%0.323CS..EExtended strand (participates in β ladder)trans-128.5139.9175.4-62.2175.3000108.9L89 A92 L127 V129 V146 N161 S162L89-L149 HydrophobicContact CD1-CD2 3.91Å; L89-L149 HydrophobicContact CD2-CB 3.71Å; L89-L149 HydrophobicContact CD2-CD1 4.2Å; L89-L149 HydrophobicContact CD2-CD2 3.85Å; L89-L149 HydrophobicContact CD2-CG 4.13Å; A92-L149 HydrophobicContact CB-CD2 3.63Å; L127-L149 HydrophobicContact CB-CD1 4.25Å; L127-L149 HydrophobicContact CB-CD2 4.26Å; L127-L149 VanDerWaalsContact O-CD1 3.25Å; L127-L149 WeakPolarHBondContact O-CD1 3.37Å; V129-L149 HydrophobicContact CG2-CB 4.34Å; V129-L149 HydrophobicContact CG2-CD1 3.97Å; V129-L149 HydrophobicContact CG2-CG 3.95Å; V146-L149 HydrophobicContact CG1-CD1 4.02Å; V146-L149 HydrophobicContact CG1-CD2 3.58Å; V146-L149 HydrophobicContact CG1-CG 3.73Å; L149-N161 WeakPolarHBondContact O-CA 3.45Å; L149-N161 PolarHBondContact O-N 2.98Å; L149-S162 WeakPolarHBondContact CB-O 3.43Å; L149-S162 PolarHBondContact O-N 2.9Å
150S85.5Confident76.4Confident3 Ų352.6 Ų52.62%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-125.9131.8172.2-54.90000108.7L89 A90 S91 V159 D160L89-S150 CarbonylContact C-O 3.53Å; A90-S150 WeakPolarHBondContact CB-O 3.45Å; A90-S150 PolarHBondContact N-O 2.78Å; S91-S150 PolarHBondContact N-O 3.14Å; S91-S150 PolarHBondContact O-N 3.16Å; S150-V159 WeakPolarHBondContact CA-O 3.43Å; S150-D160 WeakPolarHBondContact CB-OD1 3.36Å; S150-D160 PolarHBondContact OG-OD1 3.5Å
151T81.5Confident76Confident6 Ų657.2 Ų57.24%0.03733%0.329CS..EExtended strand (participates in β ladder)trans-107.5150.1-177.853.80000112R86 C88 L89 V159 S162R86-T151 VanDerWaalsContact O-CB 3.23Å; R86-T151 WeakPolarHBondContact O-CB 3.44Å; R86-T151 PolarHBondContact O-OG1 2.76Å; C88-T151 CarbonylContact O-C 3.58Å; C88-T151 VanDerWaalsContact O-CA 3.26Å; C88-T151 WeakPolarHBondContact O-CA 3.19Å; C88-T151 WeakPolarHBondContact O-CB 3.28Å; L89-T151 HydrophobicContact CD2-CG2 3.93Å; T151-V159 PolarHBondContact N-O 3.28Å; T151-V159 VanDerWaalsContact N-O 3.14Å; T151-V159 PolarHBondContact O-N 2.85Å; T151-S162 PolarHBondContact OG1-OG 3.44Å
152L69.4Low75.8Confident86 Ų8656 Ų5645%0.4532%0.322SS..EExtended strand (participates in β ladder)trans-76.2125.3173-68.6164.7000109.2C88 A90C88-L152 PolarHBondContact O-N 2.79Å; A90-L152 HydrophobicContact CB-CD2 3.77Å; A90-L152 HydrophobicContact CB-CG 3.71Å
153S64.4Low75.6Confident32 Ų3264.5 Ų64.522%0.22436%0.359CS..EExtended strand (participates in β ladder)trans-107.2130.8164.6-177.20000109.7D155 G156 G157S153-D155 PolarHBondContact O-N 2.83Å; S153-D155 VanDerWaalsContact O-N 3.16Å; S153-D155 PolarHBondContact OG-N 3.03Å; S153-G156 PolarHBondContact O-N 2.88Å; S153-G157 WeakPolarHBondContact CB-O 3.41Å
154M57.4Low75.5Confident164 Ų16463.7 Ų63.781%0.80836%0.355SS*.THydrogen-bonded Turntrans-63.9-14.9174.2-66.6-156.370.200113.4G156M154-G156 VanDerWaalsContact C-N 3.31Å; M154-G156 PolarHBondContact O-N 2.8Å
155D55.8Low75.3Confident130 Ų13063.7 Ų63.770%0.69536%0.355SS*.THydrogen-bonded Turntrans-88.717.7-177.6-61.3-36.6000113.9R86 S153R86-D155 IonicContact NH2-OD2 3.87Å; S153-D155 PolarHBondContact O-N 2.83Å; S153-D155 VanDerWaalsContact O-N 3.16Å; S153-D155 PolarHBondContact OG-N 3.03Å
156G46.3Very low75Confident76 Ų7662.7 Ų62.778%0.78435%0.35SS*.THydrogen-bonded Turntrans9744.6162.900000117S153 M154S153-G156 PolarHBondContact O-N 2.88Å; M154-G156 VanDerWaalsContact C-N 3.31Å; M154-G156 PolarHBondContact O-N 2.8Å
157G56.5Low74.7Confident44 Ų4462.7 Ų62.745%0.45435%0.35SS..EExtended strand (participates in β ladder)trans173.6148.3167.300000112.8S153 V159S153-G157 WeakPolarHBondContact CB-O 3.41Å; G157-V159 PolarHBondContact O-N 3.38Å
158D57.9Low74.2Confident99 Ų9959.9 Ų59.953%0.52934%0.341SS..EExtended strand (participates in β ladder)trans-65.3127.8170.3-74.8-14.9000109.2D160D158-D160 PolarHBondContact O-N 2.86Å
159V63.6Low73.3Confident71 Ų7159.4 Ų59.443%0.4336%0.355SS..EExtended strand (participates in β ladder)trans-83.3100.1171.2-177.70000107.2S150 T151 G157S150-V159 WeakPolarHBondContact CA-O 3.43Å; T151-V159 PolarHBondContact N-O 3.28Å; T151-V159 VanDerWaalsContact N-O 3.14Å; T151-V159 PolarHBondContact O-N 2.85Å; G157-V159 PolarHBondContact O-N 3.38Å
160D66.3Low72.6Confident89 Ų8966.6 Ų66.648%0.47639%0.393SS..EExtended strand (participates in β ladder)trans-70.4137.7174.9-11015.3000110.7K148 S150 D158K148-D160 IonicContact NZ-OD1 3.5Å; K148-D160 IonicContact NZ-OD2 3.3Å; K148-D160 PolarHBondContact NZ-OD2 2.81Å; S150-D160 WeakPolarHBondContact CB-OD1 3.36Å; S150-D160 PolarHBondContact OG-OD1 3.5Å; D158-D160 PolarHBondContact O-N 2.86Å
161N76.1Confident72.5Confident117 Ų11766.9 Ų66.963%0.62640%0.395SS*.THydrogen-bonded Turntrans7339.2179.5-55-38.5000115.9K148 L149K148-N161 WeakPolarHBondContact CE-OD1 3.21Å; L149-N161 WeakPolarHBondContact O-CA 3.45Å; L149-N161 PolarHBondContact O-N 2.98Å
162S81.3Confident72.7Confident20 Ų2070.2 Ų70.214%0.1442%0.415CS..  trans-64138.3167.2-72.30000111V129 L149 T151V129-S162 WeakPolarHBondContact CG2-O 3.5Å; L149-S162 WeakPolarHBondContact CB-O 3.43Å; L149-S162 PolarHBondContact O-N 2.9Å; T151-S162 PolarHBondContact OG1-OG 3.44Å
163K86.4Confident73.6Confident179 Ų17966.4 Ų66.478%0.77840%0.395SS*.SBendtrans-75.3-31.1179.8-70.5-172.4177.2-1750113.1T128 V129T128-K163 WeakPolarHBondContact CA-O 3.23Å; T128-K163 WeakPolarHBondContact CG2-O 3.44Å; V129-K163 PolarHBondContact N-O 3.23Å
164I89Confident74.8Confident30 Ų3067.3 Ų67.315%0.15439%0.394CS..EExtended strand (participates in β ladder)trans-143.9149.3-176.9-169.7173.5000109.3V43 F82 L127V43-I164 HydrophobicContact CB-CD1 3.56Å; V43-I164 HydrophobicContact CG1-CD1 4Å; V43-I164 HydrophobicContact CG2-CD1 3.53Å; F82-I164 HydrophobicContact CE1-CD1 4.04Å; F82-I164 HydrophobicContact CE1-CG1 4.11Å; F82-I164 HydrophobicContact CZ-CD1 3.93Å; F82-I164 HydrophobicContact CZ-CG1 4.35Å; L127-I164 CarbonylContact O-C 3.58Å; L127-I164 WeakPolarHBondContact O-CA 3.17Å; L127-I164 WeakPolarHBondContact O-CG1 3.19Å
165G87.4Confident76.4Confident0 Ų059.5 Ų59.50%036%0.355CS..EExtended strand (participates in β ladder)trans-164.3165.2167.400000112.5E87 L127E87-G165 CarbonylContact O-C 3.56Å; E87-G165 WeakPolarHBondContact O-CA 3.37Å; L127-G165 PolarHBondContact N-O 3.19Å; L127-G165 PolarHBondContact O-N 3.49Å
166M87Confident78Confident12 Ų1255.5 Ų55.56%0.05933%0.333CS..EExtended strand (participates in β ladder)trans-86.4125.4176.9-17360.46800110.3F82 E87 L89 D124 P126 T168F82-M166 HydrophobicContact CB-CE 4.41Å; F82-M166 HydrophobicContact CD1-CB 4.39Å; F82-M166 HydrophobicContact CD1-CE 4.24Å; F82-M166 HydrophobicContact CD2-CE 3.23Å; F82-M166 HydrophobicContact CE1-CE 4.39Å; F82-M166 HydrophobicContact CE2-CE 3.41Å; F82-M166 VanDerWaalsContact CE2-CE 3.41Å; F82-M166 HydrophobicContact CG-CE 3.69Å; F82-M166 HydrophobicContact CZ-CE 4.03Å; E87-M166 PolarHBondContact O-N 2.88Å; L89-M166 WeakPolarHBondContact CB-O 3.44Å; L89-M166 WeakPolarHBondContact CG-O 3.36Å; L89-M166 PolarHBondContact N-O 3.34Å; D124-M166 HydrophobicContact CB-SD 4.44Å; P126-M166 HydrophobicContact CB-CE 4.45Å; M166-T168 PolarHBondContact O-N 2.81Å
167L87.1Confident79.8Confident0 Ų053.4 Ų53.40%031%0.306CS..  trans-71.7122.3171.9-172.372.9000109.4L89 F118 F122 D124 T125 L127 T171 I173L89-L167 HydrophobicContact CD1-CB 4.46Å; F118-L167 HydrophobicContact CD1-CD2 4.22Å; F118-L167 HydrophobicContact CE1-CD2 4.02Å; F122-L167 HydrophobicContact CB-CD2 3.74Å; F122-L167 WeakPolarHBondContact O-CD2 3.41Å; D124-L167 VanDerWaalsContact CA-O 3.23Å; D124-L167 WeakPolarHBondContact CA-O 3.14Å; D124-L167 PolarHBondContact N-O 3.35Å; T125-L167 WeakPolarHBondContact O-CB 3.3Å; T125-L167 PolarHBondContact O-N 3.23Å; L127-L167 HydrophobicContact CD1-CB 4.15Å; L127-L167 HydrophobicContact CD1-CD1 3.94Å; L127-L167 HydrophobicContact CD1-CD2 4.49Å; L127-L167 HydrophobicContact CD1-CG 4.43Å; L127-L167 HydrophobicContact CG-CB 4.3Å; L167-T171 HydrophobicContact CD1-CG2 3.67Å; L167-I173 HydrophobicContact CD1-CD1 4.46Å; L167-I173 HydrophobicContact CD1-CG1 4.42Å
168T79Confident81.1Confident31 Ų3153.7 Ų53.719%0.1930%0.295CS..  trans-112.5163.4175.569.60000109.7C88 M166 N170 T171C88-T168 HydrophobicContact CB-CG2 4.26Å; M166-T168 PolarHBondContact O-N 2.81Å; T168-N170 PolarHBondContact O-N 2.95Å; T168-N170 PolarHBondContact OG1-N 2.76Å; T168-T171 PolarHBondContact N-OG1 2.99Å; T168-T171 WeakPolarHBondContact O-CB 3.41Å; T168-T171 PolarHBondContact O-N 2.91Å; T168-T171 PolarHBondContact O-OG1 3.33Å; T168-T171 PolarHBondContact OG1-N 2.97Å; T168-T171 PolarHBondContact OG1-OG1 2.8Å; T168-T171 VanDerWaalsContact OG1-OG1 3.1Å
169G72.8Confident81.9Confident58 Ų5854.6 Ų54.660%0.59831%0.306SS*.THydrogen-bonded Turntrans-59.6-16.6174.600000114.4
170N73.7Confident82.4Confident151 Ų15158.3 Ų58.381%0.80732%0.324SS*.THydrogen-bonded Turntrans-97.8-1.3178.3-66.4-16.9000113.4T168 V172T168-N170 PolarHBondContact O-N 2.95Å; T168-N170 PolarHBondContact OG1-N 2.76Å; N170-V172 PolarHBondContact O-N 3.23Å
171T83Confident82.8Confident9 Ų954.5 Ų54.56%0.05530%0.304CS..  trans-69.8124.6-179.3-58.60000110.4L89 A92 L167 T168 I173L89-T171 HydrophobicContact CB-CG2 3.5Å; L89-T171 WeakPolarHBondContact O-CB 3.16Å; L89-T171 PolarHBondContact O-OG1 2.64Å; A92-T171 HydrophobicContact CB-CG2 4.32Å; L167-T171 HydrophobicContact CD1-CG2 3.67Å; T168-T171 PolarHBondContact N-OG1 2.99Å; T168-T171 WeakPolarHBondContact O-CB 3.41Å; T168-T171 PolarHBondContact O-N 2.91Å; T168-T171 PolarHBondContact O-OG1 3.33Å; T168-T171 PolarHBondContact OG1-N 2.97Å; T168-T171 PolarHBondContact OG1-OG1 2.8Å; T168-T171 VanDerWaalsContact OG1-OG1 3.1Å; T171-I173 PolarHBondContact O-N 2.79Å
172V85.5Confident82.6Confident76 Ų7655.5 Ų55.546%0.46130%0.303SS..EExtended strand (participates in β ladder)trans-76.7107.5177.7-179.50000109.6A90 S91 A92 N170 R174A90-V172 PolarHBondContact O-N 2.96Å; S91-V172 CarbonylContact C-O 3.53Å; S91-V172 WeakPolarHBondContact CA-O 3.46Å; S91-V172 WeakPolarHBondContact CB-O 3.33Å; A92-V172 PolarHBondContact N-O 3.43Å; N170-V172 PolarHBondContact O-N 3.23Å; V172-R174 HydrophobicContact CG1-CG 4.42Å
173I89.3Confident82.4Confident6 Ų655.2 Ų55.23%0.03130%0.3CS..EExtended strand (participates in β ladder)trans-86.8130.2176.6-64.3156.2000109.4L94 A115 F118 L167 T171 W175L94-I173 HydrophobicContact CD1-CG2 3.61Å; L94-I173 HydrophobicContact CG-CG2 4.2Å; A115-I173 HydrophobicContact CB-CB 3.95Å; A115-I173 HydrophobicContact CB-CG2 4.21Å; A115-I173 WeakPolarHBondContact O-CD1 3.07Å; F118-I173 HydrophobicContact CB-CD1 4.18Å; F118-I173 HydrophobicContact CD1-CD1 3.51Å; F118-I173 HydrophobicContact CD1-CG1 4.37Å; F118-I173 HydrophobicContact CE1-CD1 4.36Å; F118-I173 HydrophobicContact CG-CD1 4.25Å; L167-I173 HydrophobicContact CD1-CD1 4.46Å; L167-I173 HydrophobicContact CD1-CG1 4.42Å; T171-I173 PolarHBondContact O-N 2.79Å; I173-W175 HydrophobicContact CG2-CD2 4.37Å; I173-W175 HydrophobicContact CG2-CZ2 4.02Å
174R89.4Confident81.8Confident52 Ų5248.5 Ų48.520%0.19627%0.272CS..EExtended strand (participates in β ladder)trans-120.3139.3171.6-59.8-170.3-175.2-96.33.1110.4A92 V93 L94 V172 A189 L191A92-R174 PolarHBondContact O-N 2.96Å; V93-R174 WeakPolarHBondContact CA-O 3.46Å; L94-R174 PolarHBondContact N-O 2.97Å; V172-R174 HydrophobicContact CG1-CG 4.42Å; R174-A189 CarbonylContact C-O 3.47Å; R174-A189 WeakPolarHBondContact CA-O 3.29Å; R174-L191 HydrophobicContact CB-CD1 3.48Å; R174-L191 VanDerWaalsContact CB-CD1 3.48Å; R174-L191 HydrophobicContact CB-CG 3.88Å; R174-L191 HydrophobicContact CG-CD1 4.39Å
175W90.8Very high81.3Confident0 Ų048.1 Ų48.10%027%0.27CS..EExtended strand (participates in β ladder)trans-109.5138.6-174.7-63.799.9000111.1L94 V96 S111 M114 F118 Y135 V144 I173 L185 A189 A190 L191L94-W175 HydrophobicContact CB-CE3 3.9Å; L94-W175 HydrophobicContact CB-CZ3 3.95Å; L94-W175 HydrophobicContact CD1-CH2 4.03Å; L94-W175 HydrophobicContact CD1-CZ2 4.43Å; L94-W175 HydrophobicContact CD1-CZ3 4.11Å; L94-W175 CarbonylContact O-C 3.47Å; L94-W175 WeakPolarHBondContact O-CA 3.48Å; V96-W175 HydrophobicContact CB-CE3 3.92Å; V96-W175 HydrophobicContact CB-CZ3 4.06Å; V96-W175 HydrophobicContact CG1-CE3 4.06Å; V96-W175 HydrophobicContact CG2-CZ3 4.3Å; S111-W175 PolarHBondContact O-NE1 3.32Å; M114-W175 HydrophobicContact CB-CZ2 3.9Å; M114-W175 HydrophobicContact CE-CD2 4.08Å; M114-W175 HydrophobicContact CE-CE3 4.1Å; M114-W175 HydrophobicContact CE-CH2 4.24Å; M114-W175 HydrophobicContact CE-CZ2 4.24Å; M114-W175 HydrophobicContact CE-CZ3 4.18Å; F118-W175 HydrophobicContact CB-CH2 4.22Å; F118-W175 HydrophobicContact CB-CZ2 3.82Å; F118-W175 AromaticContact CD2-CH2 3.57Å; F118-W175 HydrophobicContact CD2-CH2 3.57Å; F118-W175 HydrophobicContact CD2-CZ2 4.06Å; F118-W175 HydrophobicContact CE2-CH2 4.13Å; F118-W175 AromaticContact CG-CH2 4Å; F118-W175 HydrophobicContact CG-CH2 4Å; F118-W175 HydrophobicContact CG-CZ2 4.02Å; Y135-W175 AromaticContact CD1-CH2 3.94Å; Y135-W175 HydrophobicContact CD1-CH2 3.94Å; Y135-W175 HydrophobicContact CE1-CH2 4.02Å; Y135-W175 HydrophobicContact CE1-CZ2 4.26Å; V144-W175 HydrophobicContact CG1-CZ3 3.95Å; V144-W175 HydrophobicContact CG2-CH2 4.22Å; V144-W175 HydrophobicContact CG2-CZ3 3.84Å; I173-W175 HydrophobicContact CG2-CD2 4.37Å; I173-W175 HydrophobicContact CG2-CZ2 4.02Å; W175-L185 HydrophobicContact CB-CD1 3.74Å; W175-A189 PolarHBondContact N-O 2.85Å; W175-A190 CarbonylContact O-C 3.4Å; W175-A190 WeakPolarHBondContact O-CA 3.27Å; W175-L191 PolarHBondContact O-N 3.48Å
176M88.6Confident80.8Confident46 Ų4651.1 Ų51.123%0.22729%0.285CS..EExtended strand (participates in β ladder)trans-129.3144.2166.563.5-177-57.600109.4V93 L94 A95 V96 K147 L191V93-M176 HydrophobicContact CG1-CG 4.35Å; V93-M176 HydrophobicContact CG1-SD 3.91Å; L94-M176 PolarHBondContact O-N 2.61Å; A95-M176 CarbonylContact C-O 3.58Å; A95-M176 VanDerWaalsContact CA-O 3.22Å; A95-M176 WeakPolarHBondContact CA-O 3.44Å; A95-M176 HydrophobicContact CB-CG 3.8Å; A95-M176 HydrophobicContact CB-SD 4.33Å; V96-M176 PolarHBondContact N-O 3.05Å; K147-M176 HydrophobicContact CG-SD 4.09Å; M176-L191 HydrophobicContact CB-CB 4.44Å
177P86Confident80.2Confident32 Ų3252.4 Ų52.421%0.20830%0.302CS..EExtended strand (participates in β ladder)trans-67.1151.6169.329.6-31.8000109.8
178Q82.9Confident79.6Confident50 Ų5059.1 Ų59.123%0.23433%0.331CS..  trans-66.1152.2164.3-74.2-145.8-16.700110.6A95 V96 D97 E145 D180 S181A95-Q178 HydrophobicContact CB-CG 4.11Å; V96-Q178 PolarHBondContact O-N 3.27Å; V96-Q178 VanDerWaalsContact O-N 3.1Å; D97-Q178 HydrophobicContact CB-CB 4.22Å; D97-Q178 HydrophobicContact CB-CG 4.14Å; E145-Q178 PolarHBondContact OE2-NE2 3.06Å; Q178-D180 PolarHBondContact O-N 2.93Å; Q178-S181 WeakPolarHBondContact O-CB 3.46Å; Q178-S181 PolarHBondContact O-N 3.16Å
179P74.1Confident79.5Confident118 Ų11858.1 Ų58.177%0.76633%0.326SS*.THydrogen-bonded Turntrans-52.7-30.7-173-29.535.4000115.7
180D74.3Confident79.9Confident149 Ų14956 Ų5680%0.79730%0.303SS*.THydrogen-bonded Turntrans-103.87.7179.5-61.7-37.6000113.4Q178Q178-D180 PolarHBondContact O-N 2.93Å
181S75.6Confident79.7Confident8 Ų849.4 Ų49.46%0.05627%0.267CS..  trans-73144.7-174.6-1690000111.6D97 Q178 L183 R315D97-S181 WeakPolarHBondContact OD1-CB 3.49Å; D97-S181 PolarHBondContact OD1-OG 3.27Å; Q178-S181 WeakPolarHBondContact O-CB 3.46Å; Q178-S181 PolarHBondContact O-N 3.16Å; S181-L183 VanDerWaalsContact C-N 3.32Å; S181-L183 WeakPolarHBondContact OG-CB 3.48Å; S181-L183 WeakPolarHBondContact OG-CG 3.39Å; S181-L183 PolarHBondContact OG-N 3.16Å; S181-L183 VanDerWaalsContact OG-N 3.16Å; S181-R315 PolarHBondContact O-NH2 2.81Å; S181-R315 VanDerWaalsContact O-NH2 3.09Å
182K71.6Confident78.5Confident138 Ų13852.4 Ų52.460%0.628%0.283SS*.  trans-90.83170.4-64.8-175.5180-177.10112.7
183L76.6Confident76.9Confident14 Ų1455 Ų557%0.07329%0.294CS..  trans-67.4135.4-179.7-76.2172.9000111.9V96 D97 F98 L109 L142 S181V96-L183 HydrophobicContact CB-CD1 4.48Å; V96-L183 HydrophobicContact CG1-CD1 4Å; V96-L183 HydrophobicContact CG2-CD1 4.12Å; D97-L183 VanDerWaalsContact CA-CD1 3.49Å; F98-L183 HydrophobicContact CD1-CD2 4.35Å; F98-L183 HydrophobicContact CD2-CD2 3.99Å; F98-L183 HydrophobicContact CD2-CG 3.98Å; F98-L183 HydrophobicContact CE1-CD2 3.77Å; F98-L183 HydrophobicContact CE2-CD2 3.36Å; F98-L183 HydrophobicContact CE2-CG 3.69Å; F98-L183 HydrophobicContact CG-CD2 4.46Å; F98-L183 HydrophobicContact CZ-CD2 3.24Å; F98-L183 HydrophobicContact CZ-CG 4.11Å; L109-L183 HydrophobicContact CD1-CD2 3.56Å; L109-L183 HydrophobicContact CG-CD2 4.31Å; L142-L183 HydrophobicContact CD2-CD1 4.44Å; S181-L183 VanDerWaalsContact C-N 3.32Å; S181-L183 WeakPolarHBondContact OG-CB 3.48Å; S181-L183 WeakPolarHBondContact OG-CG 3.39Å; S181-L183 PolarHBondContact OG-N 3.16Å; S181-L183 VanDerWaalsContact OG-N 3.16Å
184L73.4Confident74.7Confident39 Ų3962 Ų6220%0.20433%0.332CS..  trans-105.3110.5170.8-72169.1000108.4P108 L109 M316P108-L184 CarbonylContact C-O 3.54Å; P108-L184 VanDerWaalsContact CA-O 3.29Å; P108-L184 WeakPolarHBondContact CA-O 3.39Å; P108-L184 HydrophobicContact CB-CB 4.22Å; L109-L184 PolarHBondContact N-O 2.62Å; L184-M316 HydrophobicContact CD2-CE 3.73Å; L184-M316 HydrophobicContact CD2-SD 3.48Å; L184-M316 WeakPolarHBondContact CD2-SD 3.32Å
185L78.7Confident72.4Confident21 Ų2162.2 Ų62.211%0.1135%0.351CS..EExtended strand (participates in β ladder)trans-94.5138174.6-58.2177000110.2V96 L109 M114 W175 A190V96-L185 HydrophobicContact CG1-CD1 3.98Å; V96-L185 HydrophobicContact CG1-CD2 4.21Å; L109-L185 HydrophobicContact CB-CD2 4.12Å; M114-L185 HydrophobicContact CE-CD2 4.38Å; M114-L185 HydrophobicContact SD-CD2 4Å; W175-L185 HydrophobicContact CB-CD1 3.74Å; L185-A190 HydrophobicContact CB-CB 3.92Å
186I77.7Confident69.9Low63 Ų6365.5 Ų65.532%0.32338%0.378SS..EExtended strand (participates in β ladder)trans-126.6156.9172.559.8170000109.2P108 L109 S111P108-I186 HydrophobicContact CB-CB 4.42Å; P108-I186 HydrophobicContact CB-CD1 3.97Å; P108-I186 HydrophobicContact CB-CG1 4.04Å; P108-I186 HydrophobicContact CB-CG2 3.56Å; P108-I186 HydrophobicContact CG-CD1 4.07Å; P108-I186 HydrophobicContact CG-CG2 4.37Å; L109-I186 WeakPolarHBondContact O-CG1 3.45Å; L109-I186 PolarHBondContact O-N 2.91Å; S111-I186 WeakPolarHBondContact CA-O 3.02Å; S111-I186 WeakPolarHBondContact CB-O 3.19Å; S111-I186 PolarHBondContact N-O 3.25Å; S111-I186 PolarHBondContact OG-O 3.43Å
187G73.2Confident67.3Low39 Ų3965.9 Ų65.940%0.40239%0.385SS..SBendtrans108169.2179.600000113.2S111 D112 A189 A190S111-G187 WeakPolarHBondContact OG-CA 3.45Å; D112-G187 VanDerWaalsContact OD2-CA 3.31Å; D112-G187 WeakPolarHBondContact OD2-CA 3.22Å; G187-A189 VanDerWaalsContact C-N 3.33Å; G187-A190 PolarHBondContact O-N 3.07Å
188K74.9Confident64.6Low142 Ų14266.8 Ų66.862%0.61739%0.392SS*.THydrogen-bonded Turntrans-74.9-23.5-174-63.2176.7-178.8173.90112.9D112 A190D112-K188 VanDerWaalsContact CG-N 3.31Å; D112-K188 WeakPolarHBondContact OD1-CB 3.44Å; D112-K188 PolarHBondContact OD1-N 2.82Å; D112-K188 PolarHBondContact OD2-N 3Å; K188-A190 VanDerWaalsContact C-N 3.26Å; K188-A190 PolarHBondContact O-N 3.1Å
189A78.1Confident62Low9 Ų971.4 Ų71.47%0.07442%0.417CS..THydrogen-bonded Turntrans-75-11.7176.300000113.4S111 D112 A115 R174 W175 G187S111-A189 WeakPolarHBondContact O-CB 3.13Å; D112-A189 PolarHBondContact OD1-N 2.99Å; A115-A189 HydrophobicContact CB-CB 4.09Å; R174-A189 CarbonylContact C-O 3.47Å; R174-A189 WeakPolarHBondContact CA-O 3.29Å; W175-A189 PolarHBondContact N-O 2.85Å; G187-A189 VanDerWaalsContact C-N 3.33Å
190A79.8Confident59.7Low14 Ų1468.4 Ų68.412%0.11641%0.407CS..BIsolated β-bridgetrans-76.2131.4175.700000111.4S111 W175 L185 G187 K188S111-A190 PolarHBondContact OG-N 2.89Å; S111-A190 VanDerWaalsContact OG-N 3.1Å; W175-A190 CarbonylContact O-C 3.4Å; W175-A190 WeakPolarHBondContact O-CA 3.27Å; L185-A190 HydrophobicContact CB-CB 3.92Å; G187-A190 PolarHBondContact O-N 3.07Å; K188-A190 VanDerWaalsContact C-N 3.26Å; K188-A190 PolarHBondContact O-N 3.1Å
191L70.4Confident57.4Low12 Ų1264.8 Ų64.86%0.06341%0.405CS..PPolyproline II helixtrans-93.1136.4167.7-75.3159.7000108.8V93 R174 W175 M176V93-L191 HydrophobicContact CB-CD1 4.25Å; V93-L191 HydrophobicContact CG1-CD1 3.53Å; V93-L191 HydrophobicContact CG2-CD1 3.81Å; R174-L191 HydrophobicContact CB-CD1 3.48Å; R174-L191 VanDerWaalsContact CB-CD1 3.48Å; R174-L191 HydrophobicContact CB-CG 3.88Å; R174-L191 HydrophobicContact CG-CD1 4.39Å; W175-L191 PolarHBondContact O-N 3.48Å; M176-L191 HydrophobicContact CB-CB 4.44Å
192D57.1Low55Low73 Ų7367.2 Ų67.239%0.3943%0.431SS..PPolyproline II helixtrans-74.2160.4167.7-59.5-35.2000109.5D194 G195 H206D192-D194 PolarHBondContact O-N 2.99Å; D192-G195 PolarHBondContact O-N 2.81Å; D192-H206 IonicContact OD2-CE1 2.75Å
193D52.9Low52.8Low129 Ų12963.4 Ų63.469%0.6943%0.431SS*.THydrogen-bonded Turntrans-48.5-22-172.7-103.4-15.9000114.8
194D43.5Very low50.5Low154 Ų15465.6 Ų65.682%0.82446%0.457SS*.THydrogen-bonded Turntrans-94.66.4-177.8-69-28.9000115.2D192 A196D192-D194 PolarHBondContact O-N 2.99Å; D194-A196 PolarHBondContact O-N 2.82Å; D194-A196 VanDerWaalsContact O-N 3.1Å
195G40.1Very low49Very low57 Ų5769.4 Ų69.459%0.58847%0.469SS*.  trans68.311.1172.500000115.8D192D192-G195 PolarHBondContact O-N 2.81Å
196A37.7Very low47.4Very low69 Ų6974.6 Ų74.657%0.5749%0.493SS*.  trans-85.9125175.400000111.1D194 S198D194-A196 PolarHBondContact O-N 2.82Å; D194-A196 VanDerWaalsContact O-N 3.1Å; A196-S198 PolarHBondContact O-N 3.36Å
197S34.1Very low46Very low53 Ų5375.1 Ų75.137%0.37150%0.502SS..  trans-69.8127.7177.860.60000111.9I199S197-I199 PolarHBondContact O-N 2.93Å
198S30.4Very low45.3Very low51 Ų5175.5 Ų75.536%0.35749%0.494SS..  trans-70.676.9164.351.70000110.9A196 G200A196-S198 PolarHBondContact O-N 3.36Å; S198-G200 PolarHBondContact O-N 3.32Å
199I27.6Very low44.5Very low148 Ų14869.6 Ų69.676%0.75947%0.469SS*.  trans-83.992.5166.6-62.4173.7000107.3S197S197-I199 PolarHBondContact O-N 2.93Å
200G26.8Very low43.6Very low54 Ų5472.9 Ų72.956%0.55749%0.486SS*.SBendtrans159.1111.717300000111.3S198 G202S198-G200 PolarHBondContact O-N 3.32Å; G200-G202 PolarHBondContact O-N 2.95Å
201G24.5Very low42.2Very low74 Ų7477 Ų7776%0.76351%0.511SS*.SBendtrans-58.3118.4178.700000112.3
202G25Very low41.2Very low58 Ų5882.8 Ų82.860%0.59854%0.542SS*.SBendtrans139.7118.3179.900000108.1G200 G204G200-G202 PolarHBondContact O-N 2.95Å; G202-G204 PolarHBondContact O-N 2.92Å
203G26.3Very low41.2Very low59 Ų5983.8 Ų83.861%0.60854%0.541SS*.  trans-39.8125.8-169.800000113.6Y205G203-Y205 VanDerWaalsContact O-CD2 3.23Å; G203-Y205 WeakPolarHBondContact O-CD2 3.16Å; G203-Y205 WeakPolarHBondContact O-CE2 3.38Å; G203-Y205 PolarHBondContact O-N 3.32Å
204G28.3Very low41.6Very low59 Ų5980.7 Ų80.761%0.60852%0.524SS*.  trans-52.599.9-177.800000111G202G202-G204 PolarHBondContact O-N 2.92Å
205Y41.1Very low42.6Very low119 Ų11974.8 Ų74.847%0.46749%0.491SS..  trans-81.8112.4165.4-62.9-61.4000105.7G203 S207 P241 P242G203-Y205 VanDerWaalsContact O-CD2 3.23Å; G203-Y205 WeakPolarHBondContact O-CD2 3.16Å; G203-Y205 WeakPolarHBondContact O-CE2 3.38Å; G203-Y205 PolarHBondContact O-N 3.32Å; Y205-S207 PolarHBondContact O-N 3.36Å; Y205-P241 HydrophobicContact CD2-CB 4.25Å; Y205-P241 HydrophobicContact CD2-CG 4.27Å; Y205-P241 HydrophobicContact CE1-CB 4.4Å; Y205-P241 HydrophobicContact CE2-CB 3.4Å; Y205-P241 VanDerWaalsContact CE2-CB 3.4Å; Y205-P241 HydrophobicContact CE2-CG 3.77Å; Y205-P241 VanDerWaalsContact CZ-CA 3.48Å; Y205-P241 VanDerWaalsContact CZ-CB 3.47Å; Y205-P241 WeakPolarHBondContact OH-CB 3.34Å; Y205-P242 HydrophobicContact CD1-CG 3.91Å; Y205-P242 HydrophobicContact CE1-CB 4.09Å; Y205-P242 HydrophobicContact CE1-CG 3.42Å; Y205-P242 VanDerWaalsContact CE1-CG 3.42Å
206H46.7Very low43.6Very low130 Ų13077.6 Ų77.660%0.60249%0.493SS*.  trans-52.2115.5159.2-71.7-65.3000106.3D192 I208D192-H206 IonicContact OD2-CE1 2.75Å; H206-I208 VanDerWaalsContact C-N 3.31Å; H206-I208 PolarHBondContact O-N 2.85Å
207S48.6Very low44.8Very low75 Ų7581.7 Ų81.752%0.52450%0.5SS..  trans-60.6103.9168.151.20000105.9Y205 I209 N278Y205-S207 PolarHBondContact O-N 3.36Å; S207-I209 PolarHBondContact O-N 3.1Å; S207-N278 PolarHBondContact O-ND2 2.87Å
208I57.7Low46.4Very low46 Ų4680.5 Ų80.524%0.23649%0.489CS..SBendtrans-59.7-9.5177.5-67163.7000110.3H206 R238 L277 N278 L322H206-I208 VanDerWaalsContact C-N 3.31Å; H206-I208 PolarHBondContact O-N 2.85Å; I208-R238 HydrophobicContact CD1-CB 3.89Å; I208-R238 HydrophobicContact CD1-CG 4.49Å; I208-L277 HydrophobicContact CG2-CD2 3.96Å; I208-L277 CarbonylContact O-C 3.57Å; I208-L277 WeakPolarHBondContact O-CA 3.48Å; I208-N278 PolarHBondContact O-N 3.29Å; I208-L322 HydrophobicContact CG2-CD2 4.14Å
209I58.5Low48.7Very low18 Ų1879.3 Ų79.39%0.09248%0.484CS..BIsolated β-bridgetrans-122.2126.8-173.2-51.4-178.2000108S207 P211 F231 F235 M239 M276 L277S207-I209 PolarHBondContact O-N 3.1Å; I209-P211 WeakPolarHBondContact O-CD 3.44Å; I209-F231 HydrophobicContact CD1-CE1 4.38Å; I209-F231 HydrophobicContact CD1-CE2 3.54Å; I209-F231 HydrophobicContact CD1-CZ 3.38Å; I209-F231 HydrophobicContact CG1-CE2 4.4Å; I209-F231 HydrophobicContact CG2-CE2 3.79Å; I209-F231 HydrophobicContact CG2-CZ 3.98Å; I209-F235 HydrophobicContact CD1-CB 4.1Å; I209-M239 HydrophobicContact CD1-CE 4.26Å; I209-M239 HydrophobicContact CD1-CG 3.38Å; I209-M239 HydrophobicContact CD1-SD 3.63Å; I209-M276 HydrophobicContact CG2-SD 4.49Å; I209-L277 HydrophobicContact CG1-CD2 4.25Å
210N58.8Low51.2Low78 Ų7872.3 Ų72.342%0.41745%0.449SS..  trans-69.1120.9170.3-161-14.2000108.8N212 M276N210-N212 PolarHBondContact O-N 2.82Å; N210-N212 VanDerWaalsContact O-N 3.11Å; N210-M276 PolarHBondContact N-O 2.79Å
211P49.8Very low53.9Low100 Ų10070.2 Ų70.265%0.64943%0.427SS*.SBendtrans-66-13.8-172.122.5-32.8000114.6I209 W213I209-P211 WeakPolarHBondContact O-CD 3.44Å; P211-W213 PolarHBondContact O-N 2.97Å
212N50.9Low56.6Low134 Ų13467.3 Ų67.372%0.71740%0.397SS*.  trans-102.774.4-175.7-66.2-7.9000111.5N210N210-N212 PolarHBondContact O-N 2.82Å; N210-N212 VanDerWaalsContact O-N 3.11Å
213W56.7Low59.5Low95 Ų9565.1 Ų65.136%0.3637%0.372SS..  trans-106.8118.7171.166.1-89.7000111.2P211 F215 M218 M276P211-W213 PolarHBondContact O-N 2.97Å; W213-F215 HydrophobicContact CE3-CD1 4.29Å; W213-F215 HydrophobicContact CE3-CD2 4.29Å; W213-F215 HydrophobicContact CE3-CE1 4.03Å; W213-F215 HydrophobicContact CE3-CE2 4.09Å; W213-F215 HydrophobicContact CE3-CG 4.4Å; W213-F215 AromaticContact CE3-CZ 3.92Å; W213-F215 HydrophobicContact CE3-CZ 3.92Å; W213-F215 AromaticContact CH2-CE2 3.78Å; W213-F215 HydrophobicContact CH2-CE2 3.78Å; W213-F215 AromaticContact CH2-CZ 3.81Å; W213-F215 HydrophobicContact CH2-CZ 3.81Å; W213-F215 HydrophobicContact CZ3-CD1 4.23Å; W213-F215 AromaticContact CZ3-CD2 3.6Å; W213-F215 HydrophobicContact CZ3-CD2 3.6Å; W213-F215 AromaticContact CZ3-CE1 3.79Å; W213-F215 HydrophobicContact CZ3-CE1 3.79Å; W213-F215 AromaticContact CZ3-CE2 3.14Å; W213-F215 HydrophobicContact CZ3-CE2 3.14Å; W213-F215 HydrophobicContact CZ3-CG 4.13Å; W213-F215 AromaticContact CZ3-CZ 3.21Å; W213-F215 HydrophobicContact CZ3-CZ 3.21Å; W213-M218 HydrophobicContact CB-CE 3.34Å; W213-M218 HydrophobicContact CB-SD 4.03Å; W213-M276 HydrophobicContact CB-CE 3.66Å; W213-M276 HydrophobicContact CB-SD 4.43Å; W213-M276 HydrophobicContact CD2-CE 4.21Å; W213-M276 HydrophobicContact CG-CE 3.84Å; W213-M276 HydrophobicContact CG-SD 4.39Å
214D61.6Low62.1Low64 Ų6464.6 Ų64.634%0.34236%0.355SS..  trans-121120.5170.8178.7-2.2000106.5N216 Q217 M218D214-N216 PolarHBondContact O-N 3.46Å; D214-N216 PolarHBondContact OD1-N 3.45Å; D214-Q217 HydrophobicContact CB-CB 4.11Å; D214-Q217 HydrophobicContact CB-CG 3.85Å; D214-Q217 WeakPolarHBondContact O-CA 3.38Å; D214-Q217 WeakPolarHBondContact O-CB 3.43Å; D214-Q217 PolarHBondContact O-N 3.07Å; D214-Q217 PolarHBondContact OD2-NE2 3.05Å; D214-M218 WeakPolarHBondContact O-CG 3.47Å; D214-M218 PolarHBondContact O-N 2.77Å
215F62.5Low64.9Low29 Ų2969.3 Ų69.313%0.12736%0.359CS..Hα-helixtrans-58-34.2-175.5-73.3-57.5000112.3W213 Q217 M218 G219 I220 D224 F227W213-F215 HydrophobicContact CE3-CD1 4.29Å; W213-F215 HydrophobicContact CE3-CD2 4.29Å; W213-F215 HydrophobicContact CE3-CE1 4.03Å; W213-F215 HydrophobicContact CE3-CE2 4.09Å; W213-F215 HydrophobicContact CE3-CG 4.4Å; W213-F215 AromaticContact CE3-CZ 3.92Å; W213-F215 HydrophobicContact CE3-CZ 3.92Å; W213-F215 AromaticContact CH2-CE2 3.78Å; W213-F215 HydrophobicContact CH2-CE2 3.78Å; W213-F215 AromaticContact CH2-CZ 3.81Å; W213-F215 HydrophobicContact CH2-CZ 3.81Å; W213-F215 HydrophobicContact CZ3-CD1 4.23Å; W213-F215 AromaticContact CZ3-CD2 3.6Å; W213-F215 HydrophobicContact CZ3-CD2 3.6Å; W213-F215 AromaticContact CZ3-CE1 3.79Å; W213-F215 HydrophobicContact CZ3-CE1 3.79Å; W213-F215 AromaticContact CZ3-CE2 3.14Å; W213-F215 HydrophobicContact CZ3-CE2 3.14Å; W213-F215 HydrophobicContact CZ3-CG 4.13Å; W213-F215 AromaticContact CZ3-CZ 3.21Å; W213-F215 HydrophobicContact CZ3-CZ 3.21Å; F215-Q217 VanDerWaalsContact C-N 3.32Å; F215-Q217 PolarHBondContact O-N 3.48Å; F215-M218 CarbonylContact O-C 3.57Å; F215-M218 PolarHBondContact O-N 3.29Å; F215-M218 VanDerWaalsContact O-N 3.16Å; F215-G219 PolarHBondContact O-N 3.47Å; F215-I220 PolarHBondContact O-N 2.81Å; F215-D224 HydrophobicContact CD2-CB 4.47Å; F215-D224 WeakPolarHBondContact CD2-OD1 3.5Å; F215-D224 HydrophobicContact CE2-CB 4.09Å; F215-F227 HydrophobicContact CE1-CB 3.92Å; F215-F227 AromaticContact CE1-CD1 3.45Å; F215-F227 HydrophobicContact CE1-CD1 3.45Å; F215-F227 VanDerWaalsContact CE1-CD1 3.45Å; F215-F227 HydrophobicContact CE1-CD2 4.32Å; F215-F227 HydrophobicContact CE1-CE1 4.09Å; F215-F227 AromaticContact CE1-CG 3.61Å; F215-F227 HydrophobicContact CE1-CG 3.61Å; F215-F227 HydrophobicContact CZ-CB 4.1Å; F215-F227 AromaticContact CZ-CD1 3.71Å; F215-F227 HydrophobicContact CZ-CD1 3.71Å; F215-F227 HydrophobicContact CZ-CG 4.09Å
216N61.4Low67.1Low117 Ų11765.5 Ų65.563%0.62635%0.345SS*.Hα-helixtrans-63.2-40.7175.6-67.8-45.8000111.4D214 M218 G219D214-N216 PolarHBondContact O-N 3.46Å; D214-N216 PolarHBondContact OD1-N 3.45Å; N216-M218 VanDerWaalsContact C-N 3.31Å; N216-G219 PolarHBondContact O-N 3.14Å
217Q63.7Low69Low155 Ų15559.4 Ų59.472%0.72432%0.317SS*.Hα-helixtrans-72.5-28.4176.9-62.3178.734.200111.8D214 F215 G219D214-Q217 HydrophobicContact CB-CB 4.11Å; D214-Q217 HydrophobicContact CB-CG 3.85Å; D214-Q217 WeakPolarHBondContact O-CA 3.38Å; D214-Q217 WeakPolarHBondContact O-CB 3.43Å; D214-Q217 PolarHBondContact O-N 3.07Å; D214-Q217 PolarHBondContact OD2-NE2 3.05Å; F215-Q217 VanDerWaalsContact C-N 3.32Å; F215-Q217 PolarHBondContact O-N 3.48Å; Q217-G219 VanDerWaalsContact C-N 3.27Å; Q217-G219 PolarHBondContact O-N 2.85Å
218M68.3Low70.7Confident28 Ų2858.4 Ų58.414%0.13831%0.31CS..Hα-helixtrans-78.3-10.7175.3-66.6-172.4165.600113.4W213 D214 F215 N216 I220 Q272 M276W213-M218 HydrophobicContact CB-CE 3.34Å; W213-M218 HydrophobicContact CB-SD 4.03Å; D214-M218 WeakPolarHBondContact O-CG 3.47Å; D214-M218 PolarHBondContact O-N 2.77Å; F215-M218 CarbonylContact O-C 3.57Å; F215-M218 PolarHBondContact O-N 3.29Å; F215-M218 VanDerWaalsContact O-N 3.16Å; N216-M218 VanDerWaalsContact C-N 3.31Å; M218-I220 HydrophobicContact CB-CG1 4.3Å; M218-I220 PolarHBondContact O-N 3.4Å; M218-Q272 PolarHBondContact O-NE2 3.15Å; M218-M276 HydrophobicContact CE-CB 4.17Å; M218-M276 HydrophobicContact CE-CE 3.54Å; M218-M276 HydrophobicContact CE-CG 3.97Å; M218-M276 HydrophobicContact SD-CE 3.43Å; M218-M276 WeakPolarHBondContact SD-CE 3.46Å
219G77.4Confident72.1Confident25 Ų2557.5 Ų57.526%0.25831%0.309SS..THydrogen-bonded Turntrans63.929.2-179.600000113.2F215 N216 Q217F215-G219 PolarHBondContact O-N 3.47Å; N216-G219 PolarHBondContact O-N 3.14Å; Q217-G219 VanDerWaalsContact C-N 3.27Å; Q217-G219 PolarHBondContact O-N 2.85Å
220I80.8Confident73.4Confident2 Ų256.7 Ų56.71%0.0131%0.305CS..  trans-104.5124.5172-53.2179.1000107.3F215 M218 L223 F227 L268 Q272F215-I220 PolarHBondContact O-N 2.81Å; M218-I220 HydrophobicContact CB-CG1 4.3Å; M218-I220 PolarHBondContact O-N 3.4Å; I220-L223 HydrophobicContact CG2-CB 3.89Å; I220-L223 HydrophobicContact CG2-CD1 4.17Å; I220-L223 HydrophobicContact CG2-CG 4.38Å; I220-F227 HydrophobicContact CD1-CD2 4.18Å; I220-F227 HydrophobicContact CD1-CE2 4.28Å; I220-L268 HydrophobicContact CG1-CD2 4Å; I220-Q272 HydrophobicContact CD1-CB 3.73Å; I220-Q272 HydrophobicContact CD1-CG 3.83Å; I220-Q272 HydrophobicContact CG1-CB 4.45Å; I220-Q272 HydrophobicContact CG1-CG 3.99Å
221G82.8Confident74.6Confident9 Ų954.5 Ų54.59%0.09329%0.292CS..  trans-118.8142.4173.300000111.2L223G221-L223 VanDerWaalsContact C-N 3.3Å; G221-L223 PolarHBondContact O-N 2.96Å
222G82.5Confident76.1Confident14 Ų1458.4 Ų58.414%0.14429%0.294CS..SBendtrans75.57.6171.100000116.3
223L84.7Confident77.7Confident12 Ų1259.5 Ų59.56%0.06329%0.288CS..  trans-119.420-177-61.5179.4000113I220 G221 K225 E226 F227 I395I220-L223 HydrophobicContact CG2-CB 3.89Å; I220-L223 HydrophobicContact CG2-CD1 4.17Å; I220-L223 HydrophobicContact CG2-CG 4.38Å; G221-L223 VanDerWaalsContact C-N 3.3Å; G221-L223 PolarHBondContact O-N 2.96Å; L223-K225 VanDerWaalsContact C-N 3.3Å; L223-K225 PolarHBondContact O-N 3.18Å; L223-E226 WeakPolarHBondContact CA-OE2 3.37Å; L223-E226 PolarHBondContact O-N 3.2Å; L223-F227 VanDerWaalsContact O-CB 3.23Å; L223-F227 WeakPolarHBondContact O-CB 3.47Å; L223-F227 PolarHBondContact O-N 2.57Å; L223-I395 HydrophobicContact CD1-CG2 4.1Å; L223-I395 HydrophobicContact CD2-CG2 3.69Å
224D82.4Confident78.9Confident48 Ų4855 Ų5526%0.25727%0.27SS..Hα-helixtrans-62-38.6-171.9-55.8-30.1000112.1F215 S228 Q405F215-D224 HydrophobicContact CD2-CB 4.47Å; F215-D224 WeakPolarHBondContact CD2-OD1 3.5Å; F215-D224 HydrophobicContact CE2-CB 4.09Å; D224-S228 WeakPolarHBondContact O-CB 3.37Å; D224-S228 PolarHBondContact O-N 3.26Å; D224-S228 PolarHBondContact O-OG 3.18Å; D224-Q405 PolarHBondContact OD2-NE2 3.23Å
225K86.1Confident79.8Confident157 Ų15752 Ų5268%0.68326%0.255SS*.Hα-helixtrans-70.1-48.6-178.8-68.7176.1-175.9162.10110.8L223 S228 A229L223-K225 VanDerWaalsContact C-N 3.3Å; L223-K225 PolarHBondContact O-N 3.18Å; K225-S228 PolarHBondContact O-N 3.09Å; K225-A229 VanDerWaalsContact O-CB 3.31Å; K225-A229 WeakPolarHBondContact O-CB 3.46Å; K225-A229 PolarHBondContact O-N 3.16Å
226E88.2Confident80.5Confident39 Ų3952 Ų5218%0.18226%0.259CS..Hα-helixtrans-60.7-49.2178.1-67.171.5-162.300109.3L223 A229 I230 M269 M393L223-E226 WeakPolarHBondContact CA-OE2 3.37Å; L223-E226 PolarHBondContact O-N 3.2Å; E226-A229 WeakPolarHBondContact O-CB 3.43Å; E226-A229 PolarHBondContact O-N 3.03Å; E226-I230 WeakPolarHBondContact O-CG1 3.22Å; E226-I230 PolarHBondContact O-N 3.16Å; E226-M269 HydrophobicContact CB-CE 4.02Å; E226-M393 HydrophobicContact CB-CG 4.23Å; E226-M393 HydrophobicContact CB-SD 4.14Å; E226-M393 HydrophobicContact CG-CG 4.43Å; E226-M393 HydrophobicContact CG-SD 4.14Å
227F85.6Confident81.2Confident2 Ų247.1 Ų47.11%0.00924%0.235CC..Hα-helixtrans-60.8-49179.3-166.2-79.3000112F215 I220 L223 A229 I230 F231 M269 I273 M276F215-F227 HydrophobicContact CE1-CB 3.92Å; F215-F227 AromaticContact CE1-CD1 3.45Å; F215-F227 HydrophobicContact CE1-CD1 3.45Å; F215-F227 VanDerWaalsContact CE1-CD1 3.45Å; F215-F227 HydrophobicContact CE1-CD2 4.32Å; F215-F227 HydrophobicContact CE1-CE1 4.09Å; F215-F227 AromaticContact CE1-CG 3.61Å; F215-F227 HydrophobicContact CE1-CG 3.61Å; F215-F227 HydrophobicContact CZ-CB 4.1Å; F215-F227 AromaticContact CZ-CD1 3.71Å; F215-F227 HydrophobicContact CZ-CD1 3.71Å; F215-F227 HydrophobicContact CZ-CG 4.09Å; I220-F227 HydrophobicContact CD1-CD2 4.18Å; I220-F227 HydrophobicContact CD1-CE2 4.28Å; L223-F227 VanDerWaalsContact O-CB 3.23Å; L223-F227 WeakPolarHBondContact O-CB 3.47Å; L223-F227 PolarHBondContact O-N 2.57Å; F227-A229 PolarHBondContact O-N 2.86Å; F227-I230 WeakPolarHBondContact O-CB 3.21Å; F227-I230 PolarHBondContact O-N 3.38Å; F227-I230 VanDerWaalsContact O-N 3.14Å; F227-F231 HydrophobicContact CE1-CD2 4.46Å; F227-F231 WeakPolarHBondContact O-CB 3.06Å; F227-F231 PolarHBondContact O-N 3.01Å; F227-M269 VanDerWaalsContact CA-CE 3.49Å; F227-M269 HydrophobicContact CB-CE 3.7Å; F227-M269 HydrophobicContact CD2-CE 3.81Å; F227-M269 HydrophobicContact CD2-CG 4.32Å; F227-M269 HydrophobicContact CG-CE 4.21Å; F227-I273 HydrophobicContact CE2-CG1 3.72Å; F227-I273 HydrophobicContact CZ-CG1 4.23Å; F227-M276 HydrophobicContact CE1-CE 3.35Å; F227-M276 HydrophobicContact CE1-SD 4.07Å; F227-M276 HydrophobicContact CE2-CE 4.28Å; F227-M276 HydrophobicContact CZ-CE 3.16Å; F227-M276 HydrophobicContact CZ-SD 3.89Å
228S83.7Confident81.7Confident55 Ų5540.8 Ų40.839%0.38520%0.204SC..Hα-helixtrans-60.3-36.3176.6-62.80000112D224 K225 F231 R232D224-S228 WeakPolarHBondContact O-CB 3.37Å; D224-S228 PolarHBondContact O-N 3.26Å; D224-S228 PolarHBondContact O-OG 3.18Å; K225-S228 PolarHBondContact O-N 3.09Å; S228-F231 PolarHBondContact O-N 2.84Å; S228-R232 WeakPolarHBondContact O-CB 3.26Å; S228-R232 PolarHBondContact O-N 3.39Å
229A87.2Confident81.8Confident26 Ų2644.6 Ų44.622%0.21522%0.223CC..Hα-helixtrans-67.9-41.117500000112.5K225 E226 F227 F231 R233 M393K225-A229 VanDerWaalsContact O-CB 3.31Å; K225-A229 WeakPolarHBondContact O-CB 3.46Å; K225-A229 PolarHBondContact O-N 3.16Å; E226-A229 WeakPolarHBondContact O-CB 3.43Å; E226-A229 PolarHBondContact O-N 3.03Å; F227-A229 PolarHBondContact O-N 2.86Å; A229-F231 VanDerWaalsContact C-N 3.32Å; A229-R233 WeakPolarHBondContact O-CB 3.44Å; A229-R233 WeakPolarHBondContact O-CG 3.41Å; A229-R233 PolarHBondContact O-N 3.33Å; A229-R233 VanDerWaalsContact O-N 3.1Å; A229-M393 HydrophobicContact CB-CE 3.75Å
230I87Confident81.4Confident1 Ų148.5 Ų48.51%0.00523%0.233CC..Hα-helixtrans-57.4-50.7171.2-50.8-143.5000109.2E226 F227 R232 R233 T234 F235 I256 L258 M269 I273 M391 M393E226-I230 WeakPolarHBondContact O-CG1 3.22Å; E226-I230 PolarHBondContact O-N 3.16Å; F227-I230 WeakPolarHBondContact O-CB 3.21Å; F227-I230 PolarHBondContact O-N 3.38Å; F227-I230 VanDerWaalsContact O-N 3.14Å; I230-R232 PolarHBondContact O-N 3.03Å; I230-R233 PolarHBondContact O-N 2.84Å; I230-T234 VanDerWaalsContact O-CB 3.28Å; I230-T234 WeakPolarHBondContact O-CB 3.47Å; I230-T234 PolarHBondContact O-N 2.84Å; I230-T234 PolarHBondContact O-OG1 2.93Å; I230-F235 HydrophobicContact CG2-CE2 4.17Å; I230-I256 HydrophobicContact CD1-CG2 4.5Å; I230-I256 HydrophobicContact CG2-CD1 3.89Å; I230-L258 HydrophobicContact CD1-CD2 3.65Å; I230-M269 HydrophobicContact CD1-CE 3.83Å; I230-M269 HydrophobicContact CD1-SD 3.9Å; I230-M269 HydrophobicContact CG1-CE 4.18Å; I230-I273 HydrophobicContact CD1-CD1 4.13Å; I230-I273 HydrophobicContact CG2-CD1 4.16Å; I230-M391 HydrophobicContact CB-CE 3.65Å; I230-M391 HydrophobicContact CD1-CE 3.42Å; I230-M391 VanDerWaalsContact CD1-CE 3.42Å; I230-M391 HydrophobicContact CG1-CE 3.22Å; I230-M391 HydrophobicContact CG2-CE 3.81Å; I230-M393 HydrophobicContact CD1-CB 4.38Å; I230-M393 HydrophobicContact CD1-CG 4.33Å; I230-M393 HydrophobicContact CG1-CE 4.04Å
231F82.6Confident80.7Confident33 Ų3350.6 Ų50.615%0.14525%0.247CC..Iπ-helixtrans-61.1-50-173.8-172.3-88.2000111.9I209 F227 S228 A229 R233 F235 A236 M239 M276I209-F231 HydrophobicContact CD1-CE1 4.38Å; I209-F231 HydrophobicContact CD1-CE2 3.54Å; I209-F231 HydrophobicContact CD1-CZ 3.38Å; I209-F231 HydrophobicContact CG1-CE2 4.4Å; I209-F231 HydrophobicContact CG2-CE2 3.79Å; I209-F231 HydrophobicContact CG2-CZ 3.98Å; F227-F231 HydrophobicContact CE1-CD2 4.46Å; F227-F231 WeakPolarHBondContact O-CB 3.06Å; F227-F231 PolarHBondContact O-N 3.01Å; S228-F231 PolarHBondContact O-N 2.84Å; A229-F231 VanDerWaalsContact C-N 3.32Å; F231-R233 PolarHBondContact O-N 3Å; F231-F235 HydrophobicContact CB-CD2 4.41Å; F231-F235 AromaticContact CD2-CD2 3.82Å; F231-F235 HydrophobicContact CD2-CD2 3.82Å; F231-F235 HydrophobicContact CE2-CD2 4.47Å; F231-F235 HydrophobicContact CG-CD2 4.3Å; F231-F235 WeakPolarHBondContact O-CB 3.44Å; F231-F235 PolarHBondContact O-N 2.88Å; F231-A236 PolarHBondContact O-N 2.69Å; F231-M239 HydrophobicContact CE1-CE 4.29Å; F231-M239 HydrophobicContact CE1-SD 3.59Å; F231-M239 VanDerWaalsContact CE1-SD 3.59Å; F231-M239 HydrophobicContact CZ-CE 4.29Å; F231-M239 HydrophobicContact CZ-SD 3.77Å; F231-M276 HydrophobicContact CD2-SD 4.26Å; F231-M276 HydrophobicContact CE2-SD 4.11Å
232R81.8Confident79.9Confident182 Ų18253.1 Ų53.169%0.68726%0.262SS*.Iπ-helixtrans-64.1-38179.5-168.717976.5132.1-1.5112.9S228 I230 A236S228-R232 WeakPolarHBondContact O-CB 3.26Å; S228-R232 PolarHBondContact O-N 3.39Å; I230-R232 PolarHBondContact O-N 3.03Å; R232-A236 WeakPolarHBondContact O-CB 3.23Å
233R84.2Confident79.3Confident156 Ų15655 Ų5559%0.58928%0.276SS*.Iπ-helixtrans-85-39.3-175-68.9179.8178.6172.62.4112.9A229 I230 F231A229-R233 WeakPolarHBondContact O-CB 3.44Å; A229-R233 WeakPolarHBondContact O-CG 3.41Å; A229-R233 PolarHBondContact O-N 3.33Å; A229-R233 VanDerWaalsContact O-N 3.1Å; I230-R233 PolarHBondContact O-N 2.84Å; F231-R233 PolarHBondContact O-N 3Å
234T83.4Confident78.9Confident0 Ų057.1 Ų57.10%029%0.289CS..Iπ-helixtrans-90.7-49-175.1-510000111.6I230 S237 V253 I256 L368I230-T234 VanDerWaalsContact O-CB 3.28Å; I230-T234 WeakPolarHBondContact O-CB 3.47Å; I230-T234 PolarHBondContact O-N 2.84Å; I230-T234 PolarHBondContact O-OG1 2.93Å; T234-S237 PolarHBondContact O-OG 2.91Å; T234-V253 HydrophobicContact CG2-CB 3.85Å; T234-V253 HydrophobicContact CG2-CG1 3.97Å; T234-I256 HydrophobicContact CG2-CD1 3.79Å; T234-I256 HydrophobicContact CG2-CG1 4.11Å; T234-L368 HydrophobicContact CG2-CD1 4.06Å
235F80.6Confident78.5Confident3 Ų355 Ų551%0.01328%0.278CS..Iπ-helixtrans-90.9-18-168.7-57.1-53.5000114.2I209 I230 F231 S237 R238 M239 I256 I273 L277 L368I209-F235 HydrophobicContact CD1-CB 4.1Å; I230-F235 HydrophobicContact CG2-CE2 4.17Å; F231-F235 HydrophobicContact CB-CD2 4.41Å; F231-F235 AromaticContact CD2-CD2 3.82Å; F231-F235 HydrophobicContact CD2-CD2 3.82Å; F231-F235 HydrophobicContact CE2-CD2 4.47Å; F231-F235 HydrophobicContact CG-CD2 4.3Å; F231-F235 WeakPolarHBondContact O-CB 3.44Å; F231-F235 PolarHBondContact O-N 2.88Å; F235-S237 PolarHBondContact O-N 3.43Å; F235-R238 CarbonylContact O-C 3.57Å; F235-R238 WeakPolarHBondContact O-CA 3.45Å; F235-R238 WeakPolarHBondContact O-CB 3.28Å; F235-R238 PolarHBondContact O-N 3.17Å; F235-M239 WeakPolarHBondContact O-CG 3.36Å; F235-M239 PolarHBondContact O-N 2.8Å; F235-I256 HydrophobicContact CZ-CD1 4.44Å; F235-I273 HydrophobicContact CE2-CG2 4.03Å; F235-I273 HydrophobicContact CZ-CG2 3.61Å; F235-L277 HydrophobicContact CD1-CD1 4.32Å; F235-L277 HydrophobicContact CD1-CD2 3.8Å; F235-L277 HydrophobicContact CD2-CD2 4.36Å; F235-L277 HydrophobicContact CE1-CD1 3.48Å; F235-L277 VanDerWaalsContact CE1-CD1 3.48Å; F235-L277 HydrophobicContact CE1-CD2 3.78Å; F235-L277 HydrophobicContact CE1-CG 4.25Å; F235-L277 HydrophobicContact CE2-CD1 4.43Å; F235-L277 HydrophobicContact CE2-CD2 4.39Å; F235-L277 HydrophobicContact CG-CD2 4.15Å; F235-L277 HydrophobicContact CZ-CD1 3.58Å; F235-L277 HydrophobicContact CZ-CD2 4.13Å; F235-L277 HydrophobicContact CZ-CG 4.33Å; F235-L368 HydrophobicContact CE1-CD2 3.76Å; F235-L368 HydrophobicContact CZ-CD2 3.99Å
236A76.7Confident78Confident27 Ų2756.1 Ų56.122%0.22328%0.283CS..Hα-helixtrans-53.3-41.4176.800000112.4F231 R232 R238 M239 F240F231-A236 PolarHBondContact O-N 2.69Å; R232-A236 WeakPolarHBondContact O-CB 3.23Å; A236-R238 PolarHBondContact O-N 3.16Å; A236-R238 VanDerWaalsContact O-N 3.16Å; A236-M239 PolarHBondContact O-N 3.49Å; A236-M239 VanDerWaalsContact O-N 3.16Å; A236-F240 HydrophobicContact CB-CE2 4.46Å; A236-F240 WeakPolarHBondContact O-CD2 3.07Å; A236-F240 PolarHBondContact O-N 3.23Å
237S76.1Confident77.4Confident15 Ų1562.1 Ų62.111%0.10531%0.311CS..Hα-helixtrans-59.7-27.817769.90000113.6T234 F235 H252T234-S237 PolarHBondContact O-OG 2.91Å; F235-S237 PolarHBondContact O-N 3.43Å; S237-H252 PolarHBondContact O-CE1 3.2Å; S237-H252 PolarHBondContact OG-ND1 3.42Å
238R73.9Confident77.3Confident22 Ų2267.4 Ų67.48%0.08334%0.339CS..Hα-helixtrans-93.8-16.4-178.5-64.9-175.6177.9179-4.1113.2I208 F235 A236 I367I208-R238 HydrophobicContact CD1-CB 3.89Å; I208-R238 HydrophobicContact CD1-CG 4.49Å; F235-R238 CarbonylContact O-C 3.57Å; F235-R238 WeakPolarHBondContact O-CA 3.45Å; F235-R238 WeakPolarHBondContact O-CB 3.28Å; F235-R238 PolarHBondContact O-N 3.17Å; A236-R238 PolarHBondContact O-N 3.16Å; A236-R238 VanDerWaalsContact O-N 3.16Å; R238-I367 PolarHBondContact NH2-O 3.39Å
239M70.7Confident77.1Confident109 Ų10967.7 Ų67.754%0.53735%0.35SS..Hα-helixtrans-78.4-29.1173.6-67.5-178.874.800112.1I209 F231 F235 A236I209-M239 HydrophobicContact CD1-CE 4.26Å; I209-M239 HydrophobicContact CD1-CG 3.38Å; I209-M239 HydrophobicContact CD1-SD 3.63Å; F231-M239 HydrophobicContact CE1-CE 4.29Å; F231-M239 HydrophobicContact CE1-SD 3.59Å; F231-M239 VanDerWaalsContact CE1-SD 3.59Å; F231-M239 HydrophobicContact CZ-CE 4.29Å; F231-M239 HydrophobicContact CZ-SD 3.77Å; F235-M239 WeakPolarHBondContact O-CG 3.36Å; F235-M239 PolarHBondContact O-N 2.8Å; A236-M239 PolarHBondContact O-N 3.49Å; A236-M239 VanDerWaalsContact O-N 3.16Å
240F68.3Low76.5Confident107 Ų10770.2 Ų70.247%0.46936%0.36SS..SBendtrans-76.2143.7176.8-67.9-66.3000111.3A236 P242A236-F240 HydrophobicContact CB-CE2 4.46Å; A236-F240 WeakPolarHBondContact O-CD2 3.07Å; A236-F240 PolarHBondContact O-N 3.23Å; F240-P242 WeakPolarHBondContact O-CD 3.05Å
241P66.7Low76.1Confident45 Ų4577.4 Ų77.429%0.29239%0.391SS..  trans-45.9125.4168.2-33.539.6000112.1Y205 A243 V244 A245Y205-P241 HydrophobicContact CD2-CB 4.25Å; Y205-P241 HydrophobicContact CD2-CG 4.27Å; Y205-P241 HydrophobicContact CE1-CB 4.4Å; Y205-P241 HydrophobicContact CE2-CB 3.4Å; Y205-P241 VanDerWaalsContact CE2-CB 3.4Å; Y205-P241 HydrophobicContact CE2-CG 3.77Å; Y205-P241 VanDerWaalsContact CZ-CA 3.48Å; Y205-P241 VanDerWaalsContact CZ-CB 3.47Å; Y205-P241 WeakPolarHBondContact OH-CB 3.34Å; P241-A243 PolarHBondContact O-N 2.91Å; P241-V244 HydrophobicContact CB-CB 4.4Å; P241-V244 HydrophobicContact CB-CG2 4.06Å; P241-V244 HydrophobicContact CG-CG2 4.39Å; P241-V244 WeakPolarHBondContact O-CA 3.27Å; P241-V244 WeakPolarHBondContact O-CB 3.43Å; P241-V244 PolarHBondContact O-N 3.27Å; P241-A245 PolarHBondContact O-N 3.05Å
242P65.6Low76.1Confident63 Ų6378.1 Ų78.141%0.40940%0.395SS..Hα-helixtrans-41-34.4170.2-37.522.3000116Y205 F240 A245 K246Y205-P242 HydrophobicContact CD1-CG 3.91Å; Y205-P242 HydrophobicContact CE1-CB 4.09Å; Y205-P242 HydrophobicContact CE1-CG 3.42Å; Y205-P242 VanDerWaalsContact CE1-CG 3.42Å; F240-P242 WeakPolarHBondContact O-CD 3.05Å; P242-A245 PolarHBondContact O-N 2.97Å; P242-K246 WeakPolarHBondContact O-CB 3.44Å; P242-K246 PolarHBondContact O-N 2.89Å
243A70.3Confident76.4Confident54 Ų5470.2 Ų70.245%0.44637%0.366SS..Hα-helixtrans-61.4-45.5173.600000112.6P241 Q247P241-A243 PolarHBondContact O-N 2.91Å; A243-Q247 VanDerWaalsContact O-CG 3.27Å; A243-Q247 WeakPolarHBondContact O-CG 3.36Å; A243-Q247 PolarHBondContact O-N 3.32Å
244V75.9Confident76.5Confident55 Ų5563.7 Ų63.733%0.33334%0.342SS..Hα-helixtrans-69.9-44177.1178.30000110.3P241 K246 Q247 L248P241-V244 HydrophobicContact CB-CB 4.4Å; P241-V244 HydrophobicContact CB-CG2 4.06Å; P241-V244 HydrophobicContact CG-CG2 4.39Å; P241-V244 WeakPolarHBondContact O-CA 3.27Å; P241-V244 WeakPolarHBondContact O-CB 3.43Å; P241-V244 PolarHBondContact O-N 3.27Å; V244-K246 VanDerWaalsContact C-N 3.3Å; V244-K246 PolarHBondContact O-N 2.92Å; V244-Q247 PolarHBondContact O-N 2.98Å; V244-L248 HydrophobicContact CG1-CD1 3.93Å; V244-L248 HydrophobicContact CG1-CG 4.45Å; V244-L248 WeakPolarHBondContact O-CG 3.33Å; V244-L248 PolarHBondContact O-N 3.48Å
245A73.9Confident76.9Confident3 Ų363.7 Ų63.73%0.02534%0.342CS..Hα-helixtrans-59.2-42.317700000111.8P241 P242 L248 G249 L250P241-A245 PolarHBondContact O-N 3.05Å; P242-A245 PolarHBondContact O-N 2.97Å; A245-L248 PolarHBondContact O-N 2.99Å; A245-G249 PolarHBondContact O-N 2.86Å; A245-G249 VanDerWaalsContact O-N 3.09Å; A245-L250 HydrophobicContact CB-CB 4.47Å; A245-L250 PolarHBondContact O-N 2.67Å
246K74.6Confident77.5Confident182 Ų18263.5 Ų63.579%0.79134%0.341SS*.Hα-helixtrans-67.2-39.9176.5-170.7176.6-177.2179.30112.5P242 V244 L248 G249P242-K246 WeakPolarHBondContact O-CB 3.44Å; P242-K246 PolarHBondContact O-N 2.89Å; V244-K246 VanDerWaalsContact C-N 3.3Å; V244-K246 PolarHBondContact O-N 2.92Å; K246-L248 VanDerWaalsContact C-N 3.32Å; K246-G249 PolarHBondContact O-N 3.37Å
247Q77.1Confident78.3Confident165 Ų16562.2 Ų62.277%0.77133%0.331SS*.Hα-helixtrans-63.3-38.2175-77.2173.80.100112.4A243 V244 G249A243-Q247 VanDerWaalsContact O-CG 3.27Å; A243-Q247 WeakPolarHBondContact O-CG 3.36Å; A243-Q247 PolarHBondContact O-N 3.32Å; V244-Q247 PolarHBondContact O-N 2.98Å; Q247-G249 VanDerWaalsContact C-N 3.26Å; Q247-G249 PolarHBondContact O-N 2.88Å
248L82.4Confident79.2Confident113 Ų11361.5 Ų61.559%0.59233%0.326SS*.THydrogen-bonded Turntrans-80.6-4.4176.6-67.1174.3000113.4V244 A245 K246 L250V244-L248 HydrophobicContact CG1-CD1 3.93Å; V244-L248 HydrophobicContact CG1-CG 4.45Å; V244-L248 WeakPolarHBondContact O-CG 3.33Å; V244-L248 PolarHBondContact O-N 3.48Å; A245-L248 PolarHBondContact O-N 2.99Å; K246-L248 VanDerWaalsContact C-N 3.32Å; L248-L250 HydrophobicContact CB-CD1 3.98Å; L248-L250 HydrophobicContact CB-CD2 4.41Å; L248-L250 HydrophobicContact CB-CG 3.67Å; L248-L250 HydrophobicContact CD1-CD1 3.85Å; L248-L250 HydrophobicContact CD1-CG 4.45Å; L248-L250 PolarHBondContact O-N 3.4Å
249G79.2Confident80.1Confident61 Ų6161.9 Ų61.963%0.62933%0.327SS*.THydrogen-bonded Turntrans63.323-176.100000113.7A245 K246 Q247 K251A245-G249 PolarHBondContact O-N 2.86Å; A245-G249 VanDerWaalsContact O-N 3.09Å; K246-G249 PolarHBondContact O-N 3.37Å; Q247-G249 VanDerWaalsContact C-N 3.26Å; Q247-G249 PolarHBondContact O-N 2.88Å; G249-K251 PolarHBondContact O-N 2.81Å
250L75Confident80.9Confident79 Ų7957.1 Ų57.141%0.41431%0.306SS..PPolyproline II helixtrans-71.4126.7-177.6-63.5175.7000109.9A245 L248A245-L250 HydrophobicContact CB-CB 4.47Å; A245-L250 PolarHBondContact O-N 2.67Å; L248-L250 HydrophobicContact CB-CD1 3.98Å; L248-L250 HydrophobicContact CB-CD2 4.41Å; L248-L250 HydrophobicContact CB-CG 3.67Å; L248-L250 HydrophobicContact CD1-CD1 3.85Å; L248-L250 HydrophobicContact CD1-CG 4.45Å; L248-L250 PolarHBondContact O-N 3.4Å
251K79.3Confident81.6Confident152 Ų15252.7 Ų52.766%0.66129%0.288SS*.PPolyproline II helixtrans-92.7140167.6-63.8-173.7-179.5-173.30109.1G249G249-K251 PolarHBondContact O-N 2.81Å
252H83.4Confident82.5Confident48 Ų4853.9 Ų53.922%0.22230%0.296CS..PPolyproline II helixtrans-71.2140.1173.7-60.4-53.2000110.4S237 R254S237-H252 PolarHBondContact O-CE1 3.2Å; S237-H252 PolarHBondContact OG-ND1 3.42Å; H252-R254 PolarHBondContact O-N 2.84Å
253V86.4Confident83.4Confident15 Ų1552.3 Ų52.39%0.09129%0.291CS..PPolyproline II helixtrans-64.9127.3172.9178.40000108.9T234 M391T234-V253 HydrophobicContact CG2-CB 3.85Å; T234-V253 HydrophobicContact CG2-CG1 3.97Å; V253-M391 HydrophobicContact CG1-CB 4.27Å
254R86.8Confident84.2Confident19 Ų1950.2 Ų50.27%0.07227%0.273CS..  trans-93.8-30.6-178.5-68.2-172.417714018.5113.9H252 M358 L364 L368 V369H252-R254 PolarHBondContact O-N 2.84Å; R254-M358 VanDerWaalsContact CD-O 3.28Å; R254-M358 WeakPolarHBondContact CD-O 3.28Å; R254-M358 PolarHBondContact NH1-O 3.49Å; R254-L364 PolarHBondContact NE-O 2.88Å; R254-L368 CarbonylContact O-C 3.46Å; R254-L368 WeakPolarHBondContact O-CA 3.33Å; R254-V369 PolarHBondContact O-N 2.83Å
255G91Very high84.8Confident0 Ų048.8 Ų48.80%027%0.269CS..EExtended strand (participates in β ladder)trans-134.9135.5-172.600000113.7V369 R388 M391G255-V369 CarbonylContact C-O 3.56Å; G255-V369 VanDerWaalsContact CA-O 3.23Å; G255-V369 WeakPolarHBondContact CA-O 3.32Å; G255-R388 WeakPolarHBondContact CA-O 3.47Å; G255-R388 PolarHBondContact N-O 3.43Å; G255-R388 VanDerWaalsContact N-O 3.09Å; G255-M391 PolarHBondContact O-N 3.29Å
256I93.6Very high85.7Confident0 Ų049.3 Ų49.30%027%0.271CS..EExtended strand (participates in β ladder)trans-116.3131.3168.7-59.8167.3000108.3I230 T234 F235 L258 L368 V369 I370 G371 F389 M391I230-I256 HydrophobicContact CD1-CG2 4.5Å; I230-I256 HydrophobicContact CG2-CD1 3.89Å; T234-I256 HydrophobicContact CG2-CD1 3.79Å; T234-I256 HydrophobicContact CG2-CG1 4.11Å; F235-I256 HydrophobicContact CZ-CD1 4.44Å; I256-L258 HydrophobicContact CG2-CD2 3.73Å; I256-L258 HydrophobicContact CG2-CG 4.21Å; I256-L368 HydrophobicContact CD1-CD1 4Å; I256-L368 HydrophobicContact CD1-CD2 4.42Å; I256-L368 HydrophobicContact CG1-CD1 4.16Å; I256-V369 PolarHBondContact N-O 2.82Å; I256-I370 HydrophobicContact CB-CG1 4.45Å; I256-I370 HydrophobicContact CD1-CG1 4.47Å; I256-I370 CarbonylContact O-C 3.56Å; I256-I370 WeakPolarHBondContact O-CA 3.47Å; I256-G371 PolarHBondContact O-N 3.49Å; I256-F389 WeakPolarHBondContact O-CD1 3.26Å; I256-M391 CarbonylContact C-O 3.56Å; I256-M391 WeakPolarHBondContact CA-O 3.46Å; I256-M391 HydrophobicContact CG1-CB 4.2Å; I256-M391 HydrophobicContact CG2-CE 4.05Å; I256-M391 HydrophobicContact CG2-SD 3.96Å
257L94.8Very high86.4Confident0 Ų042.7 Ų42.70%025%0.246CC..EExtended strand (participates in β ladder)trans-111114.2170.4-177.969.4000109.8I330 G371 T373 L384 F389 M391 Q392 M393L257-I330 HydrophobicContact CD1-CG2 4.12Å; L257-G371 CarbonylContact C-O 3.56Å; L257-G371 WeakPolarHBondContact CA-O 3.35Å; L257-T373 HydrophobicContact CD1-CG2 4.12Å; L257-L384 HydrophobicContact CD2-CD2 3.41Å; L257-L384 VanDerWaalsContact CD2-CD2 3.41Å; L257-F389 HydrophobicContact CB-CB 4.01Å; L257-F389 HydrophobicContact CB-CD1 4.25Å; L257-F389 HydrophobicContact CB-CG 4.19Å; L257-M391 PolarHBondContact N-O 2.72Å; L257-Q392 HydrophobicContact CB-CG 4.29Å; L257-Q392 HydrophobicContact CD2-CG 4.44Å; L257-Q392 WeakPolarHBondContact O-CA 3.46Å; L257-M393 PolarHBondContact O-N 3.17Å
258L94.9Very high86.9Confident0 Ų038.6 Ų38.60%023%0.229CC..EExtended strand (participates in β ladder)trans-94.9119.8172-54.5-178.6000108.9I230 I256 M269 A270 I370 G371 M372 T373 M393 I395I230-L258 HydrophobicContact CD1-CD2 3.65Å; I256-L258 HydrophobicContact CG2-CD2 3.73Å; I256-L258 HydrophobicContact CG2-CG 4.21Å; L258-M269 HydrophobicContact CD1-CB 4.31Å; L258-M269 HydrophobicContact CD1-CG 4.49Å; L258-M269 HydrophobicContact CD1-SD 4.32Å; L258-M269 HydrophobicContact CD2-SD 4.26Å; L258-A270 HydrophobicContact CD1-CB 4.15Å; L258-I370 HydrophobicContact CD1-CG2 4.11Å; L258-I370 HydrophobicContact CG-CG2 4.28Å; L258-G371 PolarHBondContact N-O 3.1Å; L258-M372 HydrophobicContact CB-CG 4.35Å; L258-M372 HydrophobicContact CD1-CG 4.43Å; L258-M372 WeakPolarHBondContact O-CA 3.48Å; L258-T373 PolarHBondContact O-N 3.1Å; L258-M393 HydrophobicContact CD2-CB 4Å; L258-I395 HydrophobicContact CB-CD1 4.39Å; L258-I395 HydrophobicContact CD1-CD1 4.42Å; L258-I395 HydrophobicContact CD2-CD1 4.46Å
259Y92.5Very high87.3Confident29 Ų2933.2 Ų33.211%0.11420%0.201CC..EExtended strand (participates in β ladder)trans-133.9153.3179.370-88.6000112.3T373 R376 Q392 M393 E394 I395Y259-T373 VanDerWaalsContact CA-O 3.25Å; Y259-T373 WeakPolarHBondContact CA-O 3.45Å; Y259-R376 HydrophobicContact CD2-CB 3.94Å; Y259-R376 HydrophobicContact CD2-CG 4.48Å; Y259-R376 HydrophobicContact CG-CB 4.01Å; Y259-R376 HydrophobicContact CG-CG 4.39Å; Y259-R376 PolarHBondContact OH-NH1 3.23Å; Y259-Q392 HydrophobicContact CE1-CB 4.1Å; Y259-M393 WeakPolarHBondContact CD1-O 3.5Å; Y259-M393 PolarHBondContact N-O 3.35Å; Y259-E394 HydrophobicContact CD2-CB 4.36Å; Y259-E394 HydrophobicContact CD2-CG 4.21Å; Y259-E394 HydrophobicContact CE1-CB 4.29Å; Y259-E394 HydrophobicContact CE2-CB 3.61Å; Y259-E394 HydrophobicContact CE2-CG 3.56Å; Y259-E394 CarbonylContact O-C 3.52Å; Y259-E394 VanDerWaalsContact O-CA 3.28Å; Y259-E394 WeakPolarHBondContact O-CA 3.25Å; Y259-E394 PolarHBondContact OH-OE2 3.43Å; Y259-I395 PolarHBondContact O-N 2.99Å
260G87.1Confident87.8Confident10 Ų1030.3 Ų30.310%0.10317%0.171CC..  trans154.4178.8178.600000112.7K266 T373 N374G260-K266 PolarHBondContact O-NZ 3.47Å; G260-T373 PolarHBondContact N-O 3.32Å; G260-N374 WeakPolarHBondContact O-CA 3.46Å; G260-N374 PolarHBondContact O-OD1 2.95Å
261P82.9Confident88.3Confident13 Ų1332.9 Ų32.98%0.08418%0.175CC..SBendtrans-51.7150.2179.3-27.336.3000113.6T264 K266 I395 F492P261-T264 HydrophobicContact CB-CG2 4.01Å; P261-T264 HydrophobicContact CG-CG2 4.48Å; P261-T264 PolarHBondContact O-OG1 3.32Å; P261-T264 VanDerWaalsContact O-OG1 3.05Å; P261-K266 PolarHBondContact O-NZ 2.87Å; P261-I395 WeakPolarHBondContact CD-O 2.99Å; P261-F492 HydrophobicContact CB-CD2 4.18Å; P261-F492 HydrophobicContact CB-CE2 3.63Å; P261-F492 HydrophobicContact CB-CZ 3.82Å; P261-F492 HydrophobicContact CG-CE1 4.46Å; P261-F492 HydrophobicContact CG-CE2 4.39Å; P261-F492 HydrophobicContact CG-CZ 4.16Å
262P85.1Confident88.6Confident71 Ų7127 Ų2746%0.46115%0.15SC..THydrogen-bonded Turntrans-58.5151172.526.9-35.7000111.2T264 F492P262-T264 VanDerWaalsContact C-N 3.33Å; P262-T264 PolarHBondContact O-N 2.94Å; P262-F492 HydrophobicContact CG-CE2 4.4Å
263G85.4Confident88.6Confident30 Ų3024.8 Ų24.831%0.30914%0.14SC..THydrogen-bonded Turntrans75.58.7174.800000116.5S437 G438 A439G263-S437 WeakPolarHBondContact O-CB 3.4Å; G263-S437 PolarHBondContact O-OG 3.41Å; G263-G438 PolarHBondContact O-N 2.75Å; G263-A439 PolarHBondContact O-N 2.77Å
264T87.2Confident88.4Confident10 Ų1024.3 Ų24.36%0.06114%0.137CC..SBendtrans-87.70.3177.858.40000115P261 P262 I395 L397P261-T264 HydrophobicContact CB-CG2 4.01Å; P261-T264 HydrophobicContact CG-CG2 4.48Å; P261-T264 PolarHBondContact O-OG1 3.32Å; P261-T264 VanDerWaalsContact O-OG1 3.05Å; P262-T264 VanDerWaalsContact C-N 3.33Å; P262-T264 PolarHBondContact O-N 2.94Å; T264-I395 PolarHBondContact OG1-O 3.35Å; T264-L397 HydrophobicContact CG2-CD2 4.04Å
265G88.4Confident88Confident25 Ų2530.6 Ų30.626%0.25817%0.165SC..SBendtrans9318.2176.600000116.2T267 L268 M269G265-T267 PolarHBondContact O-N 2.75Å; G265-L268 WeakPolarHBondContact O-CB 3.21Å; G265-L268 PolarHBondContact O-N 2.74Å; G265-L268 VanDerWaalsContact O-N 3.14Å; G265-M269 PolarHBondContact O-N 3.26Å
266K91.8Very high87.3Confident13 Ų1330.8 Ų30.86%0.05717%0.166CC..Hα-helixtrans-50.3-50.9174.8-64.1-176.3-66.6-77.20113.2G260 P261 L268 M269 A270 T373 N374 I395G260-K266 PolarHBondContact O-NZ 3.47Å; P261-K266 PolarHBondContact O-NZ 2.87Å; K266-L268 PolarHBondContact O-N 3.11Å; K266-M269 PolarHBondContact O-N 2.8Å; K266-A270 PolarHBondContact O-N 3.44Å; K266-T373 WeakPolarHBondContact CE-O 3.19Å; K266-N374 WeakPolarHBondContact CE-OD1 3.21Å; K266-N374 PolarHBondContact NZ-OD1 3.43Å; K266-I395 HydrophobicContact CB-CD1 4.35Å; K266-I395 HydrophobicContact CG-CB 4.19Å; K266-I395 HydrophobicContact CG-CD1 3.87Å; K266-I395 HydrophobicContact CG-CG1 4.25Å
267T89.9Confident86.5Confident44 Ų4431.1 Ų31.127%0.2717%0.168SC..Hα-helixtrans-65.6-36.8179.3-45.10000112.4G265 R271 D328 M372G265-T267 PolarHBondContact O-N 2.75Å; T267-R271 WeakPolarHBondContact O-CB 3.2Å; T267-R271 VanDerWaalsContact O-CG 3.28Å; T267-R271 WeakPolarHBondContact O-CG 3.45Å; T267-R271 PolarHBondContact O-N 3.02Å; T267-R271 VanDerWaalsContact O-N 3.13Å; T267-D328 PolarHBondContact OG1-OD2 3.25Å; T267-M372 VanDerWaalsContact CA-SD 3.52Å; T267-M372 HydrophobicContact CG2-CE 4.27Å
268L88.7Confident85.2Confident78 Ų7835.2 Ų35.241%0.40819%0.19SC..Hα-helixtrans-63.3-49174-173.692000110.2I220 G265 K266 A270 R271 Q272I220-L268 HydrophobicContact CG1-CD2 4Å; G265-L268 WeakPolarHBondContact O-CB 3.21Å; G265-L268 PolarHBondContact O-N 2.74Å; G265-L268 VanDerWaalsContact O-N 3.14Å; K266-L268 PolarHBondContact O-N 3.11Å; L268-A270 PolarHBondContact O-N 3.3Å; L268-R271 PolarHBondContact O-N 3.06Å; L268-Q272 HydrophobicContact CG-CG 4.45Å; L268-Q272 WeakPolarHBondContact O-CG 3.05Å; L268-Q272 PolarHBondContact O-N 2.88Å
269M89.2Confident84.3Confident1 Ų136.6 Ų36.61%0.00520%0.201CC..Hα-helixtrans-58.9-47-179.9-166.1-176.6-14600111.6E226 F227 I230 L258 G265 K266 R271 Q272 I273 I395E226-M269 HydrophobicContact CB-CE 4.02Å; F227-M269 VanDerWaalsContact CA-CE 3.49Å; F227-M269 HydrophobicContact CB-CE 3.7Å; F227-M269 HydrophobicContact CD2-CE 3.81Å; F227-M269 HydrophobicContact CD2-CG 4.32Å; F227-M269 HydrophobicContact CG-CE 4.21Å; I230-M269 HydrophobicContact CD1-CE 3.83Å; I230-M269 HydrophobicContact CD1-SD 3.9Å; I230-M269 HydrophobicContact CG1-CE 4.18Å; L258-M269 HydrophobicContact CD1-CB 4.31Å; L258-M269 HydrophobicContact CD1-CG 4.49Å; L258-M269 HydrophobicContact CD1-SD 4.32Å; L258-M269 HydrophobicContact CD2-SD 4.26Å; G265-M269 PolarHBondContact O-N 3.26Å; K266-M269 PolarHBondContact O-N 2.8Å; M269-R271 PolarHBondContact O-N 3.09Å; M269-Q272 PolarHBondContact O-N 2.94Å; M269-I273 HydrophobicContact CG-CD1 4.13Å; M269-I273 VanDerWaalsContact O-CG1 3.29Å; M269-I273 WeakPolarHBondContact O-CG1 3.14Å; M269-I273 PolarHBondContact O-N 3.13Å; M269-I395 HydrophobicContact CB-CD1 4.28Å; M269-I395 HydrophobicContact SD-CD1 3.39Å; M269-I395 WeakPolarHBondContact SD-CD1 2.98Å; M269-I395 HydrophobicContact SD-CG1 4.37Å
270A89.9Confident83.7Confident0 Ų041.3 Ų41.30%022%0.219CC..Hα-helixtrans-60.8-43.2177.900000112.5L258 K266 L268 I273 G274 I326 I370 M372L258-A270 HydrophobicContact CD1-CB 4.15Å; K266-A270 PolarHBondContact O-N 3.44Å; L268-A270 PolarHBondContact O-N 3.3Å; A270-I273 PolarHBondContact O-N 3.05Å; A270-G274 PolarHBondContact O-N 3.27Å; A270-I326 HydrophobicContact CB-CD1 4.21Å; A270-I326 HydrophobicContact CB-CG2 3.99Å; A270-I370 HydrophobicContact CB-CG2 3.89Å; A270-M372 HydrophobicContact CB-CE 4.47Å; A270-M372 HydrophobicContact CB-CG 4.38Å; A270-M372 HydrophobicContact CB-SD 3.43Å; A270-M372 WeakPolarHBondContact CB-SD 3.37Å
271R86.2Confident83.5Confident132 Ų13249.5 Ų49.550%0.49825%0.254SS..Hα-helixtrans-64.2-39.9176.8-73.5176.2-180-163.60.9112.2T267 L268 M269 G274 K275 I284T267-R271 WeakPolarHBondContact O-CB 3.2Å; T267-R271 VanDerWaalsContact O-CG 3.28Å; T267-R271 WeakPolarHBondContact O-CG 3.45Å; T267-R271 PolarHBondContact O-N 3.02Å; T267-R271 VanDerWaalsContact O-N 3.13Å; L268-R271 PolarHBondContact O-N 3.06Å; M269-R271 PolarHBondContact O-N 3.09Å; R271-G274 PolarHBondContact O-N 3.39Å; R271-K275 WeakPolarHBondContact O-CG 3.26Å; R271-K275 PolarHBondContact O-N 2.79Å; R271-I284 HydrophobicContact CG-CD1 4.14Å
272Q84.5Confident83.6Confident30 Ų3050.7 Ų50.714%0.1426%0.262CS..Hα-helixtrans-72.1-36.6179.6-66.4-62.14.800112.5M218 I220 L268 M269 G274 K275 M276M218-Q272 PolarHBondContact O-NE2 3.15Å; I220-Q272 HydrophobicContact CD1-CB 3.73Å; I220-Q272 HydrophobicContact CD1-CG 3.83Å; I220-Q272 HydrophobicContact CG1-CB 4.45Å; I220-Q272 HydrophobicContact CG1-CG 3.99Å; L268-Q272 HydrophobicContact CG-CG 4.45Å; L268-Q272 WeakPolarHBondContact O-CG 3.05Å; L268-Q272 PolarHBondContact O-N 2.88Å; M269-Q272 PolarHBondContact O-N 2.94Å; Q272-G274 VanDerWaalsContact C-N 3.27Å; Q272-G274 PolarHBondContact O-N 3.34Å; Q272-K275 PolarHBondContact O-N 3.36Å; Q272-M276 WeakPolarHBondContact O-CB 3.46Å; Q272-M276 PolarHBondContact O-N 2.85Å
273I84.6Confident83.9Confident1 Ų149.9 Ų49.91%0.00525%0.251CS..Hα-helixtrans-57.5-45.1168.7-68.7166.3000109.9F227 I230 F235 M269 A270 K275 M276 L277 I370F227-I273 HydrophobicContact CE2-CG1 3.72Å; F227-I273 HydrophobicContact CZ-CG1 4.23Å; I230-I273 HydrophobicContact CD1-CD1 4.13Å; I230-I273 HydrophobicContact CG2-CD1 4.16Å; F235-I273 HydrophobicContact CE2-CG2 4.03Å; F235-I273 HydrophobicContact CZ-CG2 3.61Å; M269-I273 HydrophobicContact CG-CD1 4.13Å; M269-I273 VanDerWaalsContact O-CG1 3.29Å; M269-I273 WeakPolarHBondContact O-CG1 3.14Å; M269-I273 PolarHBondContact O-N 3.13Å; A270-I273 PolarHBondContact O-N 3.05Å; I273-K275 PolarHBondContact O-N 2.98Å; I273-M276 PolarHBondContact O-N 3.23Å; I273-L277 HydrophobicContact CG2-CD1 3.82Å; I273-L277 WeakPolarHBondContact O-CD1 3.23Å; I273-L277 VanDerWaalsContact O-CG 3.25Å; I273-L277 WeakPolarHBondContact O-CG 3.37Å; I273-L277 PolarHBondContact O-N 3.06Å; I273-I370 HydrophobicContact CB-CD1 4.37Å; I273-I370 HydrophobicContact CG2-CD1 3.93Å
274G82.6Confident84.2Confident4 Ų452.4 Ų52.44%0.04126%0.257CS..Hα-helixtrans-60.3-40.1176.800000114.1A270 R271 Q272A270-G274 PolarHBondContact O-N 3.27Å; R271-G274 PolarHBondContact O-N 3.39Å; Q272-G274 VanDerWaalsContact C-N 3.27Å; Q272-G274 PolarHBondContact O-N 3.34Å
275K78.4Confident84.4Confident151 Ų15152.9 Ų52.966%0.65726%0.26SS*.Hα-helixtrans-75.6-32.8178.7-72.6179.5178.9-176.50114.1R271 Q272 I273 L277R271-K275 WeakPolarHBondContact O-CG 3.26Å; R271-K275 PolarHBondContact O-N 2.79Å; Q272-K275 PolarHBondContact O-N 3.36Å; I273-K275 PolarHBondContact O-N 2.98Å; K275-L277 VanDerWaalsContact C-N 3.33Å
276M76.2Confident84.5Confident5 Ų555.1 Ų55.13%0.02527%0.266CS..Hα-helixtrans-72.8-31.9-178.6-174-162.6-78.200111.6I209 N210 W213 M218 F227 F231 Q272 I273I209-M276 HydrophobicContact CG2-SD 4.49Å; N210-M276 PolarHBondContact N-O 2.79Å; W213-M276 HydrophobicContact CB-CE 3.66Å; W213-M276 HydrophobicContact CB-SD 4.43Å; W213-M276 HydrophobicContact CD2-CE 4.21Å; W213-M276 HydrophobicContact CG-CE 3.84Å; W213-M276 HydrophobicContact CG-SD 4.39Å; M218-M276 HydrophobicContact CE-CB 4.17Å; M218-M276 HydrophobicContact CE-CE 3.54Å; M218-M276 HydrophobicContact CE-CG 3.97Å; M218-M276 HydrophobicContact SD-CE 3.43Å; M218-M276 WeakPolarHBondContact SD-CE 3.46Å; F227-M276 HydrophobicContact CE1-CE 3.35Å; F227-M276 HydrophobicContact CE1-SD 4.07Å; F227-M276 HydrophobicContact CE2-CE 4.28Å; F227-M276 HydrophobicContact CZ-CE 3.16Å; F227-M276 HydrophobicContact CZ-SD 3.89Å; F231-M276 HydrophobicContact CD2-SD 4.26Å; F231-M276 HydrophobicContact CE2-SD 4.11Å; Q272-M276 WeakPolarHBondContact O-CB 3.46Å; Q272-M276 PolarHBondContact O-N 2.85Å; I273-M276 PolarHBondContact O-N 3.23Å
277L75.6Confident84.2Confident6 Ų654.5 Ų54.53%0.03126%0.263CS..BIsolated β-bridgetrans-80.6130177.9-61166.8000109.4I208 I209 F235 I273 K275 A279 L322 I324 L368I208-L277 HydrophobicContact CG2-CD2 3.96Å; I208-L277 CarbonylContact O-C 3.57Å; I208-L277 WeakPolarHBondContact O-CA 3.48Å; I209-L277 HydrophobicContact CG1-CD2 4.25Å; F235-L277 HydrophobicContact CD1-CD1 4.32Å; F235-L277 HydrophobicContact CD1-CD2 3.8Å; F235-L277 HydrophobicContact CD2-CD2 4.36Å; F235-L277 HydrophobicContact CE1-CD1 3.48Å; F235-L277 VanDerWaalsContact CE1-CD1 3.48Å; F235-L277 HydrophobicContact CE1-CD2 3.78Å; F235-L277 HydrophobicContact CE1-CG 4.25Å; F235-L277 HydrophobicContact CE2-CD1 4.43Å; F235-L277 HydrophobicContact CE2-CD2 4.39Å; F235-L277 HydrophobicContact CG-CD2 4.15Å; F235-L277 HydrophobicContact CZ-CD1 3.58Å; F235-L277 HydrophobicContact CZ-CD2 4.13Å; F235-L277 HydrophobicContact CZ-CG 4.33Å; I273-L277 HydrophobicContact CG2-CD1 3.82Å; I273-L277 WeakPolarHBondContact O-CD1 3.23Å; I273-L277 VanDerWaalsContact O-CG 3.25Å; I273-L277 WeakPolarHBondContact O-CG 3.37Å; I273-L277 PolarHBondContact O-N 3.06Å; K275-L277 VanDerWaalsContact C-N 3.33Å; L277-A279 HydrophobicContact CB-CB 4.2Å; L277-A279 PolarHBondContact O-N 3.4Å; L277-L322 HydrophobicContact CD1-CD2 4.12Å; L277-I324 HydrophobicContact CB-CD1 4.09Å; L277-I324 HydrophobicContact CD1-CD1 3.66Å; L277-L368 HydrophobicContact CD1-CD2 4.04Å
278N68.1Low84Confident86 Ų8655.1 Ų55.146%0.4627%0.268SS..  trans-70.864.8167.6-71.9-19.3000109.5S207 I208S207-N278 PolarHBondContact O-ND2 2.87Å; I208-N278 PolarHBondContact O-N 3.29Å
279A75.3Confident83.9Confident29 Ų2955.2 Ų55.224%0.2428%0.275CS..  trans-105.7170.8-179.600000110.2L277 L322 I324L277-A279 HydrophobicContact CB-CB 4.2Å; L277-A279 PolarHBondContact O-N 3.4Å; A279-L322 WeakPolarHBondContact CA-O 3.36Å; A279-L322 HydrophobicContact CB-CB 4.06Å; A279-L322 HydrophobicContact CB-CD2 4.1Å; A279-L322 HydrophobicContact CB-CG 4.05Å; A279-L322 WeakPolarHBondContact CB-O 3.48Å; A279-I324 HydrophobicContact CB-CD1 3.48Å; A279-I324 VanDerWaalsContact CB-CD1 3.48Å; A279-I324 HydrophobicContact CB-CG1 3.83Å
280R80.3Confident83.8Confident129 Ų12955.4 Ų55.449%0.48728%0.276SS..SBendtrans-59.7157161.4-64.2-65.8-171.5-168.6-5.4109.3E312 A321 L322R280-E312 IonicContact CZ-OE1 3.17Å; R280-E312 IonicContact NE-OE1 2.81Å; R280-E312 PolarHBondContact NE-OE1 3.34Å; R280-E312 IonicContact NE-OE2 3.39Å; R280-E312 PolarHBondContact NE-OE2 3.23Å; R280-E312 IonicContact NH2-OE1 2.71Å; R280-E312 PolarHBondContact NH2-OE1 3.17Å; R280-E312 IonicContact NH2-OE2 2.6Å; R280-A321 HydrophobicContact CG-CB 3.95Å; R280-L322 PolarHBondContact N-O 3.38Å
281E83.1Confident83.5Confident181 Ų18158.2 Ų58.285%0.84629%0.291SS*.PPolyproline II helixtrans-51.6125.4179-171.5177.2-17200110.5K283E281-K283 PolarHBondContact O-N 2.77Å
282P85.8Confident83.3Confident38 Ų3855 Ų5525%0.24728%0.283CS..PPolyproline II helixtrans-67.4128.7-174.325.3-33.5000111I284 I324 I326P282-I284 PolarHBondContact O-N 2.93Å; P282-I324 WeakPolarHBondContact CA-O 3.43Å; P282-I324 HydrophobicContact CB-CB 4.05Å; P282-I324 HydrophobicContact CB-CG2 4.09Å; P282-I326 HydrophobicContact CB-CD1 4.18Å
283K90.7Very high82.9Confident54 Ų5463.3 Ų63.324%0.23532%0.319CS..EExtended strand (participates in β ladder)trans-79.6110173.4-64.2-177.4-176.8179.70109.3E281 L305 D308 I324 I326E281-K283 PolarHBondContact O-N 2.77Å; K283-L305 HydrophobicContact CD-CD2 4.36Å; K283-L305 PolarHBondContact NZ-O 2.95Å; K283-D308 WeakPolarHBondContact CE-OD2 3.46Å; K283-D308 IonicContact NZ-OD2 3.58Å; K283-D308 PolarHBondContact NZ-OD2 3.02Å; K283-I324 PolarHBondContact N-O 3.47Å; K283-I326 PolarHBondContact O-N 3Å
284I90.8Very high82.7Confident84 Ų8470.8 Ų70.843%0.43135%0.349SS..EExtended strand (participates in β ladder)trans-97.1122.2177-53.5177.1000109R271 P282 I326R271-I284 HydrophobicContact CG-CD1 4.14Å; P282-I284 PolarHBondContact O-N 2.93Å; I284-I326 HydrophobicContact CG1-CB 4.33Å; I284-I326 HydrophobicContact CG1-CD1 4.22Å
285V91.9Very high82.4Confident20 Ų2077.4 Ų77.412%0.12139%0.388CS..EExtended strand (participates in β ladder)trans-128.3133.8-178-175.70000109I290 L305 I326 F327 D328V285-I290 HydrophobicContact CG1-CD1 3.76Å; V285-I290 HydrophobicContact CG1-CG1 3.5Å; V285-L305 HydrophobicContact CG1-CD1 4.43Å; V285-L305 HydrophobicContact CG2-CD1 3.89Å; V285-L305 HydrophobicContact CG2-CD2 3.64Å; V285-L305 HydrophobicContact CG2-CG 4.44Å; V285-I326 PolarHBondContact N-O 3.44Å; V285-F327 HydrophobicContact CB-CD1 4.06Å; V285-F327 HydrophobicContact CB-CE1 4.16Å; V285-F327 HydrophobicContact CG1-CD1 4.34Å; V285-F327 HydrophobicContact CG1-CE1 4.31Å; V285-F327 WeakPolarHBondContact O-CA 3.36Å; V285-D328 PolarHBondContact O-N 3.13Å
286N90.9Very high82.7Confident71 Ų7171.7 Ų71.738%0.3837%0.372SS..EExtended strand (participates in β ladder)trans-84.7135171.6-164.7-0000109.1P288 S289N286-P288 VanDerWaalsContact OD1-CD 3.23Å; N286-P288 WeakPolarHBondContact OD1-CD 3.45Å; N286-S289 PolarHBondContact O-N 2.9Å; N286-S289 PolarHBondContact O-OG 3.14Å
287G85.2Confident83.2Confident0 Ų075.4 Ų75.40%039%0.389CS..G310 helixtrans-48.4-54.2-177.500000112.7S289 I290 D328 I333G287-S289 PolarHBondContact O-N 3.19Å; G287-I290 PolarHBondContact O-N 3.04Å; G287-D328 WeakPolarHBondContact CA-O 3.4Å; G287-D328 PolarHBondContact N-O 3.44Å; G287-I333 WeakPolarHBondContact O-CG2 3.38Å
288P85.6Confident83.8Confident57 Ų5775.2 Ų75.237%0.3739%0.388SS..G310 helixtrans-59.3-28.1178.4-25.235.3000114.9N286 I290 L291 A332N286-P288 VanDerWaalsContact OD1-CD 3.23Å; N286-P288 WeakPolarHBondContact OD1-CD 3.45Å; P288-I290 PolarHBondContact O-N 3.28Å; P288-L291 PolarHBondContact O-N 3.26Å; P288-A332 HydrophobicContact CG-CB 3.84Å
289S87.5Confident84.8Confident81 Ų8173.1 Ų73.157%0.56638%0.376SS*.G310 helixtrans-72.9-11-177.567.40000113.7N286 G287N286-S289 PolarHBondContact O-N 2.9Å; N286-S289 PolarHBondContact O-OG 3.14Å; G287-S289 PolarHBondContact O-N 3.19Å
290I86.8Confident85.5Confident5 Ų573.1 Ų73.13%0.02638%0.376CS..G310 helixtrans-79.3-28.8174.8-57.4-177.6000111.2V285 G287 P288 D292 S298 N301 I302 F327 I333V285-I290 HydrophobicContact CG1-CD1 3.76Å; V285-I290 HydrophobicContact CG1-CG1 3.5Å; G287-I290 PolarHBondContact O-N 3.04Å; P288-I290 PolarHBondContact O-N 3.28Å; I290-D292 PolarHBondContact O-N 3.43Å; I290-S298 WeakPolarHBondContact O-CA 3.08Å; I290-S298 PolarHBondContact O-OG 2.9Å; I290-N301 HydrophobicContact CG2-CB 4.46Å; I290-I302 HydrophobicContact CG2-CD1 4.17Å; I290-I302 HydrophobicContact CG2-CG1 3.71Å; I290-F327 HydrophobicContact CD1-CD1 3.77Å; I290-F327 HydrophobicContact CD1-CE1 3.41Å; I290-F327 VanDerWaalsContact CD1-CE1 3.41Å; I290-I333 HydrophobicContact CB-CG2 4.3Å; I290-I333 HydrophobicContact CD1-CD1 3.69Å
291L82.9Confident86Confident58 Ų5869.2 Ų69.230%0.30437%0.365SS..  trans-77.4113.2-175.1-63.2172000109.9P288 I333 V346 V350P288-L291 PolarHBondContact O-N 3.26Å; L291-I333 HydrophobicContact CD1-CG2 4.2Å; L291-I333 HydrophobicContact CD2-CG2 4.06Å; L291-I333 HydrophobicContact CG-CG2 3.87Å; L291-V346 HydrophobicContact CD2-CG1 4.48Å; L291-V350 HydrophobicContact CD2-CG2 4.46Å
292D81.7Confident86.3Confident64 Ų6460.7 Ų60.734%0.34233%0.325SS..  trans-105.9154.9171.1-144-52.2000111.2I290 Y294 E297 S298I290-D292 PolarHBondContact O-N 3.43Å; D292-Y294 VanDerWaalsContact C-N 3.28Å; D292-Y294 WeakPolarHBondContact OD1-CD2 3.42Å; D292-E297 HydrophobicContact CB-CB 3.89Å; D292-E297 VanDerWaalsContact CG-OE2 3.27Å; D292-S298 PolarHBondContact N-OG 3.25Å; D292-S298 PolarHBondContact O-OG 3Å
293K77.3Confident86.5Confident205 Ų20564 Ų6489%0.89133%0.332SS*.SBendtrans-73.5-23.3178.6-61.4-179.1-176.5176.30111.9
294Y80.1Confident86.6Confident159 Ų15968.1 Ų68.162%0.62435%0.35SS*.SBendtrans-84.1133179.5-61-77.4000111.5D292 G296 E297D292-Y294 VanDerWaalsContact C-N 3.28Å; D292-Y294 WeakPolarHBondContact OD1-CD2 3.42Å; Y294-G296 PolarHBondContact O-N 3.49Å; Y294-E297 VanDerWaalsContact CB-CD 3.45Å; Y294-E297 WeakPolarHBondContact CB-OE2 3.44Å; Y294-E297 VanDerWaalsContact CD2-OE2 3.31Å; Y294-E297 WeakPolarHBondContact CD2-OE2 3.31Å; Y294-E297 PolarHBondContact O-N 3.43Å
295V76.5Confident86.6Confident143 Ų14365.6 Ų65.687%0.86734%0.337SS*.THydrogen-bonded Turntrans-61.4128.6-178.9-179.50000110.1E297V295-E297 VanDerWaalsContact C-N 3.29Å; V295-E297 PolarHBondContact O-N 3.44Å
296G83.5Confident86.5Confident31 Ų3164.7 Ų64.732%0.3233%0.332SS..THydrogen-bonded Turntrans85.1-17178.400000115.4Y294 E299 A300Y294-G296 PolarHBondContact O-N 3.49Å; G296-E299 PolarHBondContact O-N 2.94Å; G296-A300 PolarHBondContact O-N 2.87Å
297E87.5Confident86.5Confident82 Ų8263.2 Ų63.238%0.38333%0.33SS..Hα-helixtrans-67.5-38.8178-73-166.1168.900112.1D292 Y294 V295 E299 A300 N301D292-E297 HydrophobicContact CB-CB 3.89Å; D292-E297 VanDerWaalsContact CG-OE2 3.27Å; Y294-E297 VanDerWaalsContact CB-CD 3.45Å; Y294-E297 WeakPolarHBondContact CB-OE2 3.44Å; Y294-E297 VanDerWaalsContact CD2-OE2 3.31Å; Y294-E297 WeakPolarHBondContact CD2-OE2 3.31Å; Y294-E297 PolarHBondContact O-N 3.43Å; V295-E297 VanDerWaalsContact C-N 3.29Å; V295-E297 PolarHBondContact O-N 3.44Å; E297-E299 VanDerWaalsContact C-N 3.28Å; E297-E299 PolarHBondContact O-N 3.38Å; E297-A300 PolarHBondContact O-N 3.46Å; E297-A300 VanDerWaalsContact O-N 3.14Å; E297-N301 WeakPolarHBondContact O-CB 3.37Å; E297-N301 VanDerWaalsContact O-CG 3.23Å; E297-N301 PolarHBondContact O-N 3.21Å; E297-N301 PolarHBondContact O-ND2 3.4Å
298S88.2Confident86.6Confident2 Ų267 Ų671%0.01435%0.35CS..Hα-helixtrans-57.7-40.5175.5-56.70000112.2I290 D292 I302 V350I290-S298 WeakPolarHBondContact O-CA 3.08Å; I290-S298 PolarHBondContact O-OG 2.9Å; D292-S298 PolarHBondContact N-OG 3.25Å; D292-S298 PolarHBondContact O-OG 3Å; S298-I302 PolarHBondContact O-N 3.33Å; S298-V350 VanDerWaalsContact CB-CG2 3.49Å
299E88.1Confident86.7Confident43 Ų4364.4 Ų64.420%0.20133%0.333CS..Hα-helixtrans-71.5-40176.1-64.2169.1-153.700112G296 E297 N301 I302 R303 T349 Q353G296-E299 PolarHBondContact O-N 2.94Å; E297-E299 VanDerWaalsContact C-N 3.28Å; E297-E299 PolarHBondContact O-N 3.38Å; E299-N301 VanDerWaalsContact C-N 3.28Å; E299-N301 PolarHBondContact O-N 2.95Å; E299-I302 PolarHBondContact O-N 2.96Å; E299-R303 WeakPolarHBondContact O-CG 3.43Å; E299-R303 PolarHBondContact O-N 2.92Å; E299-R303 IonicContact OE2-NH2 3.54Å; E299-R303 PolarHBondContact OE2-NH2 2.85Å; E299-T349 WeakPolarHBondContact OE1-CB 3.46Å; E299-T349 PolarHBondContact OE1-OG1 3.14Å; E299-Q353 HydrophobicContact CB-CB 4.44Å; E299-Q353 HydrophobicContact CB-CG 4.26Å; E299-Q353 HydrophobicContact CG-CB 4.33Å
300A90.1Very high86.7Confident29 Ų2962.8 Ų62.824%0.2432%0.317CS..Hα-helixtrans-62-38.2176.200000111.3G296 E297 R303 K304G296-A300 PolarHBondContact O-N 2.87Å; E297-A300 PolarHBondContact O-N 3.46Å; E297-A300 VanDerWaalsContact O-N 3.14Å; A300-R303 PolarHBondContact O-N 3.47Å; A300-K304 WeakPolarHBondContact O-CG 3.41Å; A300-K304 PolarHBondContact O-N 3.26Å
301N91.2Very high86.6Confident47 Ų4769.1 Ų69.125%0.25135%0.346SS..Hα-helixtrans-61.7-43.8174.4-70.4-19.1000111.2I290 E297 E299 K304 L305I290-N301 HydrophobicContact CG2-CB 4.46Å; E297-N301 WeakPolarHBondContact O-CB 3.37Å; E297-N301 VanDerWaalsContact O-CG 3.23Å; E297-N301 PolarHBondContact O-N 3.21Å; E297-N301 PolarHBondContact O-ND2 3.4Å; E299-N301 VanDerWaalsContact C-N 3.28Å; E299-N301 PolarHBondContact O-N 2.95Å; N301-K304 PolarHBondContact O-N 3.08Å; N301-L305 WeakPolarHBondContact O-CG 3.29Å; N301-L305 PolarHBondContact O-N 3.14Å
302I90.7Very high86.6Confident1 Ų168 Ų681%0.00534%0.339CS..Hα-helixtrans-60.7-46.1172.7-67.2178.1000111.2I290 S298 E299 K304 L305 F306 V350 Q353 L354I290-I302 HydrophobicContact CG2-CD1 4.17Å; I290-I302 HydrophobicContact CG2-CG1 3.71Å; S298-I302 PolarHBondContact O-N 3.33Å; E299-I302 PolarHBondContact O-N 2.96Å; I302-K304 VanDerWaalsContact C-N 3.33Å; I302-K304 PolarHBondContact O-N 3Å; I302-L305 WeakPolarHBondContact O-CB 3.23Å; I302-L305 PolarHBondContact O-N 3.33Å; I302-L305 VanDerWaalsContact O-N 3.17Å; I302-F306 HydrophobicContact CG2-CD2 4.37Å; I302-F306 HydrophobicContact CG2-CE2 4.24Å; I302-F306 WeakPolarHBondContact O-CD2 3.34Å; I302-V350 HydrophobicContact CD1-CB 4.18Å; I302-V350 HydrophobicContact CD1-CG1 3.37Å; I302-V350 WeakPolarHBondContact CD1-O 3.32Å; I302-Q353 HydrophobicContact CB-CG 4.14Å; I302-Q353 HydrophobicContact CG2-CG 3.96Å; I302-L354 HydrophobicContact CD1-CB 4.42Å; I302-L354 HydrophobicContact CG2-CD1 4.45Å
303R89.8Confident86.7Confident108 Ų10866.5 Ų66.541%0.40833%0.33SS..Hα-helixtrans-60-41.8178.9-68.1-178.2-145.6115.17.7112.3E299 A300 L305 F306 A307 Q353E299-R303 WeakPolarHBondContact O-CG 3.43Å; E299-R303 PolarHBondContact O-N 2.92Å; E299-R303 IonicContact OE2-NH2 3.54Å; E299-R303 PolarHBondContact OE2-NH2 2.85Å; A300-R303 PolarHBondContact O-N 3.47Å; R303-L305 VanDerWaalsContact C-N 3.27Å; R303-L305 PolarHBondContact O-N 2.71Å; R303-F306 PolarHBondContact O-N 3.47Å; R303-A307 PolarHBondContact O-N 2.76Å; R303-Q353 HydrophobicContact CG-CG 4.15Å; R303-Q353 VanDerWaalsContact NH2-OE1 3.1Å
304K91.3Very high87Confident141 Ų14163.9 Ų63.961%0.61332%0.319SS*.Hα-helixtrans-60-35.3176.8-73.5173.1-176.1173.20112.7A300 N301 I302 F306 A307A300-K304 WeakPolarHBondContact O-CG 3.41Å; A300-K304 PolarHBondContact O-N 3.26Å; N301-K304 PolarHBondContact O-N 3.08Å; I302-K304 VanDerWaalsContact C-N 3.33Å; I302-K304 PolarHBondContact O-N 3Å; K304-F306 VanDerWaalsContact C-N 3.29Å; K304-F306 PolarHBondContact O-N 3.33Å; K304-A307 PolarHBondContact O-N 3.34Å
305L90.9Very high86.9Confident31 Ų3162.9 Ų62.916%0.16231%0.314CS..Hα-helixtrans-63-37178.4-67.6172.7000112.2K283 V285 N301 I302 R303 I325 F327K283-L305 HydrophobicContact CD-CD2 4.36Å; K283-L305 PolarHBondContact NZ-O 2.95Å; V285-L305 HydrophobicContact CG1-CD1 4.43Å; V285-L305 HydrophobicContact CG2-CD1 3.89Å; V285-L305 HydrophobicContact CG2-CD2 3.64Å; V285-L305 HydrophobicContact CG2-CG 4.44Å; N301-L305 WeakPolarHBondContact O-CG 3.29Å; N301-L305 PolarHBondContact O-N 3.14Å; I302-L305 WeakPolarHBondContact O-CB 3.23Å; I302-L305 PolarHBondContact O-N 3.33Å; I302-L305 VanDerWaalsContact O-N 3.17Å; R303-L305 VanDerWaalsContact C-N 3.27Å; R303-L305 PolarHBondContact O-N 2.71Å; L305-I325 HydrophobicContact CB-CD1 4.27Å; L305-F327 HydrophobicContact CD1-CE1 3.73Å; L305-F327 HydrophobicContact CD1-CZ 3.89Å
306F90.9Very high86.6Confident0 Ų059 Ų590%029%0.287CS..Hα-helixtrans-89.4-20-178.6-73-107.2000113.6I302 R303 K304 D308 A309 E310 I325 L354 N357 L364 I367 V369I302-F306 HydrophobicContact CG2-CD2 4.37Å; I302-F306 HydrophobicContact CG2-CE2 4.24Å; I302-F306 WeakPolarHBondContact O-CD2 3.34Å; R303-F306 PolarHBondContact O-N 3.47Å; K304-F306 VanDerWaalsContact C-N 3.29Å; K304-F306 PolarHBondContact O-N 3.33Å; F306-D308 PolarHBondContact O-N 2.92Å; F306-A309 WeakPolarHBondContact O-CB 3.43Å; F306-A309 PolarHBondContact O-N 3.27Å; F306-E310 PolarHBondContact O-N 3.44Å; F306-I325 HydrophobicContact CD1-CD1 4.31Å; F306-I325 HydrophobicContact CD2-CD1 3.92Å; F306-I325 HydrophobicContact CE1-CD1 4.26Å; F306-I325 HydrophobicContact CE2-CD1 3.86Å; F306-I325 HydrophobicContact CG-CD1 4.14Å; F306-I325 HydrophobicContact CZ-CD1 4.03Å; F306-L354 HydrophobicContact CE2-CD1 3.95Å; F306-L354 HydrophobicContact CZ-CD1 3.88Å; F306-N357 HydrophobicContact CD1-CB 3.77Å; F306-N357 HydrophobicContact CD2-CB 4.19Å; F306-N357 HydrophobicContact CE1-CB 3.84Å; F306-N357 HydrophobicContact CE2-CB 4.26Å; F306-N357 HydrophobicContact CG-CB 3.96Å; F306-N357 HydrophobicContact CZ-CB 4.1Å; F306-L364 HydrophobicContact CD1-CD1 4.25Å; F306-I367 HydrophobicContact CD1-CD1 3.21Å; F306-I367 HydrophobicContact CE1-CD1 3.24Å; F306-I367 HydrophobicContact CE1-CG1 4.47Å; F306-I367 HydrophobicContact CG-CD1 4.15Å; F306-I367 HydrophobicContact CZ-CD1 4.2Å; F306-V369 HydrophobicContact CE1-CG2 4.16Å; F306-V369 HydrophobicContact CZ-CG2 3.98Å
307A89.9Confident86.1Confident41 Ų4159.1 Ų59.134%0.33929%0.288SS..Hα-helixtrans-53.3-45.9-173.700000113.8R303 K304 A309 E310 E311R303-A307 PolarHBondContact O-N 2.76Å; K304-A307 PolarHBondContact O-N 3.34Å; A307-A309 VanDerWaalsContact C-N 3.31Å; A307-A309 PolarHBondContact O-N 2.88Å; A307-E310 PolarHBondContact O-N 2.96Å; A307-E311 WeakPolarHBondContact O-CB 3.44Å; A307-E311 PolarHBondContact O-N 3.2Å
308D87.4Confident85.2Confident80 Ų8060 Ų6043%0.42831%0.31SS..Hα-helixtrans-63.3-38.2-179.8-55.4-13.6000111.9K283 F306 E312K283-D308 WeakPolarHBondContact CE-OD2 3.46Å; K283-D308 IonicContact NZ-OD2 3.58Å; K283-D308 PolarHBondContact NZ-OD2 3.02Å; F306-D308 PolarHBondContact O-N 2.92Å; D308-E312 WeakPolarHBondContact O-CB 3.47Å; D308-E312 PolarHBondContact O-N 3.4Å
309A87.5Confident84.3Confident1 Ų166.2 Ų66.21%0.00834%0.337CS..Hα-helixtrans-68.8-41.617700000111F306 A307 E313 H323 N366 I367F306-A309 WeakPolarHBondContact O-CB 3.43Å; F306-A309 PolarHBondContact O-N 3.27Å; A307-A309 VanDerWaalsContact C-N 3.31Å; A307-A309 PolarHBondContact O-N 2.88Å; A309-E313 WeakPolarHBondContact O-CB 3.41Å; A309-E313 PolarHBondContact O-N 3Å; A309-H323 HydrophobicContact CB-CB 3.79Å; A309-N366 PolarHBondContact O-ND2 3.3Å; A309-I367 HydrophobicContact CB-CD1 4.38Å
310E87.1Confident83.7Confident48 Ų4865.2 Ų65.222%0.22433%0.334CS..Hα-helixtrans-63.7-42.5175.3-68.9-170.2-167.200112.7F306 A307 K314 L364F306-E310 PolarHBondContact O-N 3.44Å; A307-E310 PolarHBondContact O-N 2.96Å; E310-K314 WeakPolarHBondContact O-CB 3.19Å; E310-K314 WeakPolarHBondContact O-CD 3.42Å; E310-K314 VanDerWaalsContact O-CG 3.23Å; E310-K314 WeakPolarHBondContact O-CG 3.27Å; E310-K314 PolarHBondContact O-N 2.66Å; E310-K314 IonicContact OE2-NZ 3.56Å; E310-L364 HydrophobicContact CB-CD2 4.38Å; E310-L364 HydrophobicContact CG-CD1 3.69Å; E310-L364 HydrophobicContact CG-CD2 3.9Å; E310-L364 HydrophobicContact CG-CG 4.34Å
311E86.7Confident83.2Confident138 Ų13865.3 Ų65.365%0.64534%0.335SS*.Hα-helixtrans-67-45.1179.3-174.4176179.700111A307 E313 K314 R315A307-E311 WeakPolarHBondContact O-CB 3.44Å; A307-E311 PolarHBondContact O-N 3.2Å; E311-E313 VanDerWaalsContact C-N 3.34Å; E311-E313 PolarHBondContact O-N 3.46Å; E311-K314 PolarHBondContact O-N 3.46Å; E311-R315 WeakPolarHBondContact O-CB 3.4Å; E311-R315 PolarHBondContact O-N 2.95Å
312E82.7Confident82.9Confident33 Ų3363.6 Ų63.615%0.15433%0.326CS..Hα-helixtrans-65.1-38.1176.9-168.4164.2-171.400111.4R280 D308 R315 M316 H323R280-E312 IonicContact CZ-OE1 3.17Å; R280-E312 IonicContact NE-OE1 2.81Å; R280-E312 PolarHBondContact NE-OE1 3.34Å; R280-E312 IonicContact NE-OE2 3.39Å; R280-E312 PolarHBondContact NE-OE2 3.23Å; R280-E312 IonicContact NH2-OE1 2.71Å; R280-E312 PolarHBondContact NH2-OE1 3.17Å; R280-E312 IonicContact NH2-OE2 2.6Å; D308-E312 WeakPolarHBondContact O-CB 3.47Å; D308-E312 PolarHBondContact O-N 3.4Å; E312-R315 PolarHBondContact O-N 2.88Å; E312-M316 HydrophobicContact CG-CG 4.11Å; E312-M316 WeakPolarHBondContact O-CB 3.49Å; E312-M316 PolarHBondContact O-N 2.81Å; E312-H323 IonicContact OE2-CD2 3.56Å; E312-H323 IonicContact OE2-CE1 2.71Å; E312-H323 PolarHBondContact OE2-CE1 2.97Å; E312-H323 IonicContact OE2-NE2 3.06Å; E312-H323 PolarHBondContact OE2-NE2 3.39Å
313E82.3Confident82.8Confident34 Ų3464.3 Ų64.316%0.15933%0.329CS..Hα-helixtrans-65.3-41.2174.3-171.9160.2-178.800113.1A309 E311 R315 G317 S320 L364 N365 N366A309-E313 WeakPolarHBondContact O-CB 3.41Å; A309-E313 PolarHBondContact O-N 3Å; E311-E313 VanDerWaalsContact C-N 3.34Å; E311-E313 PolarHBondContact O-N 3.46Å; E313-R315 VanDerWaalsContact C-N 3.27Å; E313-R315 PolarHBondContact O-N 2.81Å; E313-G317 VanDerWaalsContact O-CA 3.22Å; E313-G317 WeakPolarHBondContact O-CA 3.41Å; E313-G317 PolarHBondContact O-N 2.79Å; E313-S320 VanDerWaalsContact CA-OG 3.27Å; E313-S320 WeakPolarHBondContact CA-OG 3.44Å; E313-L364 HydrophobicContact CB-CD2 4.22Å; E313-L364 HydrophobicContact CG-CD2 4.46Å; E313-L364 WeakPolarHBondContact OE2-CA 3.36Å; E313-L364 WeakPolarHBondContact OE2-CB 3.44Å; E313-L364 WeakPolarHBondContact OE2-CD2 3.4Å; E313-N365 PolarHBondContact OE1-N 3.37Å; E313-N365 VanDerWaalsContact OE1-N 3.14Å; E313-N365 PolarHBondContact OE2-N 3.46Å; E313-N366 PolarHBondContact OE2-OD1 3.04Å
314K83.4Confident82.8Confident149 Ų14959.3 Ų59.365%0.64831%0.31SS*.Hα-helixtrans-64-33.4173.8-73.4166.5-171.2160.10112.1E310 E311E310-K314 WeakPolarHBondContact O-CB 3.19Å; E310-K314 WeakPolarHBondContact O-CD 3.42Å; E310-K314 VanDerWaalsContact O-CG 3.23Å; E310-K314 WeakPolarHBondContact O-CG 3.27Å; E310-K314 PolarHBondContact O-N 2.66Å; E310-K314 IonicContact OE2-NZ 3.56Å; E311-K314 PolarHBondContact O-N 3.46Å
315R77.9Confident82.9Confident139 Ų13952.7 Ų52.753%0.52528%0.282SS..Hα-helixtrans-80.8-42.7-178.5-175.3-179.9174.3-173.4-4.5113.2S181 E311 E312 E313S181-R315 PolarHBondContact O-NH2 2.81Å; S181-R315 VanDerWaalsContact O-NH2 3.09Å; E311-R315 WeakPolarHBondContact O-CB 3.4Å; E311-R315 PolarHBondContact O-N 2.95Å; E312-R315 PolarHBondContact O-N 2.88Å; E313-R315 VanDerWaalsContact C-N 3.27Å; E313-R315 PolarHBondContact O-N 2.81Å
316M70.7Confident83.1Confident60 Ų6051.3 Ų51.330%0.29627%0.274SS..Hα-helixtrans-112.3-14.5-167.8-57.5-62.9-69.900113.5L184 E312 A318 K319L184-M316 HydrophobicContact CD2-CE 3.73Å; L184-M316 HydrophobicContact CD2-SD 3.48Å; L184-M316 WeakPolarHBondContact CD2-SD 3.32Å; E312-M316 HydrophobicContact CG-CG 4.11Å; E312-M316 WeakPolarHBondContact O-CB 3.49Å; E312-M316 PolarHBondContact O-N 2.81Å; M316-A318 PolarHBondContact O-N 2.82Å; M316-K319 HydrophobicContact CB-CB 4.45Å; M316-K319 HydrophobicContact CE-CB 4.47Å; M316-K319 PolarHBondContact O-N 2.9Å
317G74.1Confident83.2Confident34 Ų3451.3 Ų51.335%0.35128%0.275SS..G310 helixtrans56.6-122.2179.800000112.6E313 K319 S320E313-G317 VanDerWaalsContact O-CA 3.22Å; E313-G317 WeakPolarHBondContact O-CA 3.41Å; E313-G317 PolarHBondContact O-N 2.79Å; G317-K319 PolarHBondContact O-N 3.37Å; G317-K319 VanDerWaalsContact O-N 3.16Å; G317-S320 WeakPolarHBondContact O-CB 3.42Å; G317-S320 PolarHBondContact O-N 3.33Å; G317-S320 PolarHBondContact O-OG 2.8Å
318A68.3Low83.4Confident102 Ų10251.4 Ų51.484%0.84327%0.269SS*.G310 helixtrans-66.9-14.5179.800000114.2M316M316-A318 PolarHBondContact O-N 2.82Å
319K69.3Low83.5Confident132 Ų13251.5 Ų51.557%0.57427%0.267SS*.G310 helixtrans-93.17.4179-64.5-170.7174.4-166.10113.7M316 G317M316-K319 HydrophobicContact CB-CB 4.45Å; M316-K319 HydrophobicContact CE-CB 4.47Å; M316-K319 PolarHBondContact O-N 2.9Å; G317-K319 PolarHBondContact O-N 3.37Å; G317-K319 VanDerWaalsContact O-N 3.16Å
320S75.9Confident83.7Confident21 Ų2151.5 Ų51.515%0.14727%0.267CS..PPolyproline II helixtrans-60.5136.9-179.8-52.20000111.7E313 G317 N366E313-S320 VanDerWaalsContact CA-OG 3.27Å; E313-S320 WeakPolarHBondContact CA-OG 3.44Å; G317-S320 WeakPolarHBondContact O-CB 3.42Å; G317-S320 PolarHBondContact O-N 3.33Å; G317-S320 PolarHBondContact O-OG 2.8Å; S320-N366 VanDerWaalsContact CB-CB 3.47Å
321A79.7Confident83.8Confident31 Ų3150.7 Ų50.726%0.25626%0.264SS..PPolyproline II helixtrans-64.6151.816900000110.7R280 H323R280-A321 HydrophobicContact CG-CB 3.95Å; A321-H323 PolarHBondContact O-CD2 3.1Å; A321-H323 PolarHBondContact O-N 3.45Å
322L84.4Confident83.8Confident11 Ų1145.1 Ų45.16%0.05824%0.242CC..PPolyproline II helixtrans-72.7127.1175.4174.359.3000110.5I208 L277 A279 R280 I324 N366 L368I208-L322 HydrophobicContact CG2-CD2 4.14Å; L277-L322 HydrophobicContact CD1-CD2 4.12Å; A279-L322 WeakPolarHBondContact CA-O 3.36Å; A279-L322 HydrophobicContact CB-CB 4.06Å; A279-L322 HydrophobicContact CB-CD2 4.1Å; A279-L322 HydrophobicContact CB-CG 4.05Å; A279-L322 WeakPolarHBondContact CB-O 3.48Å; R280-L322 PolarHBondContact N-O 3.38Å; L322-I324 HydrophobicContact CD2-CD1 4.32Å; L322-I324 HydrophobicContact CD2-CG1 4.18Å; L322-I324 HydrophobicContact CG-CG1 4.08Å; L322-N366 CarbonylContact C-O 3.5Å; L322-N366 WeakPolarHBondContact CA-O 3.1Å; L322-N366 WeakPolarHBondContact CD1-O 3.28Å; L322-L368 HydrophobicContact CD1-CB 4.01Å
323H88.9Confident84Confident17 Ų1743.6 Ų43.68%0.07924%0.235CC..EExtended strand (participates in β ladder)trans-98.9130.3168.4-72.5-97.6000110.7A309 E312 A321 N366 I367 L368A309-H323 HydrophobicContact CB-CB 3.79Å; E312-H323 IonicContact OE2-CD2 3.56Å; E312-H323 IonicContact OE2-CE1 2.71Å; E312-H323 PolarHBondContact OE2-CE1 2.97Å; E312-H323 IonicContact OE2-NE2 3.06Å; E312-H323 PolarHBondContact OE2-NE2 3.39Å; A321-H323 PolarHBondContact O-CD2 3.1Å; A321-H323 PolarHBondContact O-N 3.45Å; H323-N366 PolarHBondContact N-O 3.24Å; H323-I367 CarbonylContact O-C 3.55Å; H323-I367 WeakPolarHBondContact O-CA 3.25Å; H323-L368 PolarHBondContact O-N 3.04Å
324I90.4Very high84.1Confident2 Ų242 Ų421%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-112.4126.9178.8-57.2176.6000109.2L277 A279 P282 K283 L322 I326 L368 I370L277-I324 HydrophobicContact CB-CD1 4.09Å; L277-I324 HydrophobicContact CD1-CD1 3.66Å; A279-I324 HydrophobicContact CB-CD1 3.48Å; A279-I324 VanDerWaalsContact CB-CD1 3.48Å; A279-I324 HydrophobicContact CB-CG1 3.83Å; P282-I324 WeakPolarHBondContact CA-O 3.43Å; P282-I324 HydrophobicContact CB-CB 4.05Å; P282-I324 HydrophobicContact CB-CG2 4.09Å; K283-I324 PolarHBondContact N-O 3.47Å; L322-I324 HydrophobicContact CD2-CD1 4.32Å; L322-I324 HydrophobicContact CD2-CG1 4.18Å; L322-I324 HydrophobicContact CG-CG1 4.08Å; I324-I326 HydrophobicContact CG2-CD1 4.43Å; I324-I326 HydrophobicContact CG2-CG1 3.99Å; I324-L368 WeakPolarHBondContact CA-O 3.33Å; I324-L368 HydrophobicContact CG1-CB 4.45Å; I324-I370 HydrophobicContact CG2-CD1 4.16Å
325I92.8Very high83.9Confident2 Ų238 Ų381%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-118.3121.4174.9-52.8-179.8000108.4L305 F306 F327 I367 L368 V369 I370L305-I325 HydrophobicContact CB-CD1 4.27Å; F306-I325 HydrophobicContact CD1-CD1 4.31Å; F306-I325 HydrophobicContact CD2-CD1 3.92Å; F306-I325 HydrophobicContact CE1-CD1 4.26Å; F306-I325 HydrophobicContact CE2-CD1 3.86Å; F306-I325 HydrophobicContact CG-CD1 4.14Å; F306-I325 HydrophobicContact CZ-CD1 4.03Å; I325-F327 HydrophobicContact CB-CE2 4.42Å; I325-F327 HydrophobicContact CG2-CD2 4.11Å; I325-F327 HydrophobicContact CG2-CE1 4.17Å; I325-F327 HydrophobicContact CG2-CE2 3.5Å; I325-F327 HydrophobicContact CG2-CZ 3.54Å; I325-I367 HydrophobicContact CD1-CD1 3.73Å; I325-I367 HydrophobicContact CG1-CD1 4.41Å; I325-L368 PolarHBondContact N-O 3.4Å; I325-V369 CarbonylContact O-C 3.51Å; I325-V369 WeakPolarHBondContact O-CA 2.87Å; I325-I370 PolarHBondContact O-N 3.35Å
326I94Very high83.7Confident2 Ų233.9 Ų33.91%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-110117.2-179.5-55.6-180000108.4A270 P282 K283 I284 V285 I324 I370 M372A270-I326 HydrophobicContact CB-CD1 4.21Å; A270-I326 HydrophobicContact CB-CG2 3.99Å; P282-I326 HydrophobicContact CB-CD1 4.18Å; K283-I326 PolarHBondContact O-N 3Å; I284-I326 HydrophobicContact CG1-CB 4.33Å; I284-I326 HydrophobicContact CG1-CD1 4.22Å; V285-I326 PolarHBondContact N-O 3.44Å; I324-I326 HydrophobicContact CG2-CD1 4.43Å; I324-I326 HydrophobicContact CG2-CG1 3.99Å; I326-I370 CarbonylContact C-O 3.55Å; I326-I370 WeakPolarHBondContact CA-O 3.47Å; I326-I370 HydrophobicContact CG1-CB 4.33Å; I326-I370 HydrophobicContact CG1-CD1 4.42Å; I326-M372 HydrophobicContact CG2-CE 3.54Å; I326-M372 HydrophobicContact CG2-SD 4.22Å
327F94Very high83.4Confident1 Ų135.5 Ų35.50%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-101.4110.3172.7-67-71000109.8V285 I290 L305 I325 I330 I333 L354 V369 I370 G371 M372V285-F327 HydrophobicContact CB-CD1 4.06Å; V285-F327 HydrophobicContact CB-CE1 4.16Å; V285-F327 HydrophobicContact CG1-CD1 4.34Å; V285-F327 HydrophobicContact CG1-CE1 4.31Å; V285-F327 WeakPolarHBondContact O-CA 3.36Å; I290-F327 HydrophobicContact CD1-CD1 3.77Å; I290-F327 HydrophobicContact CD1-CE1 3.41Å; I290-F327 VanDerWaalsContact CD1-CE1 3.41Å; L305-F327 HydrophobicContact CD1-CE1 3.73Å; L305-F327 HydrophobicContact CD1-CZ 3.89Å; I325-F327 HydrophobicContact CB-CE2 4.42Å; I325-F327 HydrophobicContact CG2-CD2 4.11Å; I325-F327 HydrophobicContact CG2-CE1 4.17Å; I325-F327 HydrophobicContact CG2-CE2 3.5Å; I325-F327 HydrophobicContact CG2-CZ 3.54Å; F327-I330 HydrophobicContact CB-CB 4.18Å; F327-I330 HydrophobicContact CB-CD1 4.09Å; F327-I330 HydrophobicContact CB-CG1 4.15Å; F327-I330 HydrophobicContact CD2-CD1 4.43Å; F327-I330 HydrophobicContact CG-CD1 4.47Å; F327-I333 HydrophobicContact CD1-CD1 4.43Å; F327-L354 HydrophobicContact CE2-CD1 4.08Å; F327-L354 HydrophobicContact CZ-CD1 4.29Å; F327-V369 HydrophobicContact CD2-CG1 3.6Å; F327-V369 HydrophobicContact CE2-CG1 3.61Å; F327-I370 PolarHBondContact N-O 2.93Å; F327-G371 CarbonylContact O-C 3.59Å; F327-M372 PolarHBondContact O-N 3.31Å
328D93.1Very high82.8Confident43 Ų4337.5 Ų37.523%0.2323%0.227CC..EExtended strand (participates in β ladder)trans-81.6148.8166.7-149-15.4000110.3T267 V285 G287 I330 M372T267-D328 PolarHBondContact OG1-OD2 3.25Å; V285-D328 PolarHBondContact O-N 3.13Å; G287-D328 WeakPolarHBondContact CA-O 3.4Å; G287-D328 PolarHBondContact N-O 3.44Å; D328-I330 VanDerWaalsContact C-N 3.29Å; D328-I330 PolarHBondContact O-N 3.47Å; D328-M372 HydrophobicContact CB-CE 3.5Å; D328-M372 VanDerWaalsContact CB-CE 3.5Å
329E90.7Very high82.4Confident82 Ų8236 Ų3638%0.38321%0.21SC..SBendtrans47.947.1-179.1-57-172.2153.600113.7D331 A332 M372E329-D331 PolarHBondContact O-N 3.26Å; E329-D331 VanDerWaalsContact O-N 3.08Å; E329-A332 VanDerWaalsContact O-CB 3.27Å; E329-A332 WeakPolarHBondContact O-CB 3.33Å; E329-A332 PolarHBondContact O-N 2.93Å; E329-M372 PolarHBondContact N-O 2.89Å
330I91.9Very high81.9Confident1 Ų133.1 Ų33.11%0.00520%0.203CC..G310 helixtrans-61.7-21.8-174.5-164.3173.4000112.9L257 F327 D328 A332 I333 C334 L354 M372 I379 F389L257-I330 HydrophobicContact CD1-CG2 4.12Å; F327-I330 HydrophobicContact CB-CB 4.18Å; F327-I330 HydrophobicContact CB-CD1 4.09Å; F327-I330 HydrophobicContact CB-CG1 4.15Å; F327-I330 HydrophobicContact CD2-CD1 4.43Å; F327-I330 HydrophobicContact CG-CD1 4.47Å; D328-I330 VanDerWaalsContact C-N 3.29Å; D328-I330 PolarHBondContact O-N 3.47Å; I330-A332 PolarHBondContact O-N 2.92Å; I330-I333 HydrophobicContact CG1-CD1 4.18Å; I330-I333 HydrophobicContact CG1-CG1 4.14Å; I330-I333 WeakPolarHBondContact O-CG1 3.34Å; I330-I333 PolarHBondContact O-N 2.74Å; I330-C334 HydrophobicContact CG1-CB 4.29Å; I330-C334 WeakPolarHBondContact O-CB 3.43Å; I330-C334 PolarHBondContact O-N 3.33Å; I330-L354 HydrophobicContact CD1-CD2 4.48Å; I330-M372 PolarHBondContact N-O 3.4Å; I330-I379 HydrophobicContact CG2-CD1 3.8Å; I330-F389 HydrophobicContact CD1-CE2 3.68Å; I330-F389 HydrophobicContact CD1-CZ 3.51Å
331D89.1Confident80.9Confident30 Ų3036.8 Ų36.816%0.1624%0.244CC..G310 helixtrans-65-14.9172.554.4-56.7000114.1E329 K335 T373 M378 I379E329-D331 PolarHBondContact O-N 3.26Å; E329-D331 VanDerWaalsContact O-N 3.08Å; D331-K335 WeakPolarHBondContact O-CE 3.43Å; D331-K335 WeakPolarHBondContact O-CG 3.48Å; D331-T373 WeakPolarHBondContact CB-OG1 3.42Å; D331-T373 WeakPolarHBondContact OD1-CB 3.28Å; D331-T373 PolarHBondContact OD1-OG1 2.86Å; D331-M378 HydrophobicContact CB-CB 4.16Å; D331-I379 HydrophobicContact CB-CD1 3.67Å
332A86.6Confident79.9Confident22 Ų2238.9 Ų38.918%0.18227%0.269CS..G310 helixtrans-68.3-36.5172.200000112.4P288 E329 I330 H347P288-A332 HydrophobicContact CG-CB 3.84Å; E329-A332 VanDerWaalsContact O-CB 3.27Å; E329-A332 WeakPolarHBondContact O-CB 3.33Å; E329-A332 PolarHBondContact O-N 2.93Å; I330-A332 PolarHBondContact O-N 2.92Å; A332-H347 PolarHBondContact O-CE1 3.28Å; A332-H347 PolarHBondContact O-ND1 2.9Å
333I86.8Confident78.6Confident1 Ų139.8 Ų39.81%0.00528%0.281CS..THydrogen-bonded Turntrans-101.4-28.9-177.253.6172.5000112.9G287 I290 L291 F327 I330 V350 V351G287-I333 WeakPolarHBondContact O-CG2 3.38Å; I290-I333 HydrophobicContact CB-CG2 4.3Å; I290-I333 HydrophobicContact CD1-CD1 3.69Å; L291-I333 HydrophobicContact CD1-CG2 4.2Å; L291-I333 HydrophobicContact CD2-CG2 4.06Å; L291-I333 HydrophobicContact CG-CG2 3.87Å; F327-I333 HydrophobicContact CD1-CD1 4.43Å; I330-I333 HydrophobicContact CG1-CD1 4.18Å; I330-I333 HydrophobicContact CG1-CG1 4.14Å; I330-I333 WeakPolarHBondContact O-CG1 3.34Å; I330-I333 PolarHBondContact O-N 2.74Å; I333-V350 HydrophobicContact CB-CG1 4.06Å; I333-V350 HydrophobicContact CG2-CG1 4.41Å; I333-V351 WeakPolarHBondContact O-CG2 3.39Å
334C83.8Confident77.2Confident0 Ų043.7 Ų43.70%032%0.317CS..SBendtrans-108.244.1-171.7-64.90000113.9I330 V351 I379 D380 L383I330-C334 HydrophobicContact CG1-CB 4.29Å; I330-C334 WeakPolarHBondContact O-CB 3.43Å; I330-C334 PolarHBondContact O-N 3.33Å; C334-V351 HydrophobicContact CB-CG2 4.22Å; C334-I379 HydrophobicContact CB-CD1 4.4Å; C334-I379 WeakPolarHBondContact O-CA 3.33Å; C334-D380 PolarHBondContact O-N 3.34Å; C334-L383 HydrophobicContact CB-CD1 3.47Å; C334-L383 VanDerWaalsContact CB-CD1 3.47Å; C334-L383 WeakPolarHBondContact SG-CD1 3.05Å
335K80.6Confident76.3Confident64 Ų6445.3 Ų45.328%0.27833%0.333SS..BIsolated β-bridgetrans-67.3148.8177.6-65-176.6-178.3171.50111.5D331 R337 M378D331-K335 WeakPolarHBondContact O-CE 3.43Å; D331-K335 WeakPolarHBondContact O-CG 3.48Å; K335-R337 PolarHBondContact O-N 2.82Å; K335-M378 CarbonylContact C-O 3.58Å; K335-M378 VanDerWaalsContact CA-O 3.26Å; K335-M378 WeakPolarHBondContact CA-O 3.36Å; K335-M378 HydrophobicContact CD-CE 4.25Å; K335-M378 HydrophobicContact CG-CE 4.32Å
336S72Confident75.6Confident54 Ų5446.9 Ų46.938%0.37834%0.343SS..PPolyproline II helixtrans-52.4126170.6-175.20000110.6S339 M378S336-S339 WeakPolarHBondContact O-CB 3.48Å; S336-S339 PolarHBondContact O-N 2.72Å; S336-S339 PolarHBondContact O-OG 3.34Å; S336-M378 PolarHBondContact N-O 3.37Å
337R66.2Low74.8Confident93 Ų9348.8 Ų48.835%0.35135%0.352SS..THydrogen-bonded Turntrans-57.2140.7-179.7-56.6179.5-166.9-150.9-10.5110.1K335 S339 N352 D380K335-R337 PolarHBondContact O-N 2.82Å; R337-S339 VanDerWaalsContact C-N 3.3Å; R337-S339 PolarHBondContact O-N 3.03Å; R337-N352 PolarHBondContact NH1-OD1 3.05Å; R337-N352 PolarHBondContact NH2-OD1 3.49Å; R337-D380 WeakPolarHBondContact CG-OD2 3.39Å; R337-D380 IonicContact CZ-OD2 3.68Å; R337-D380 IonicContact NE-OD2 2.69Å; R337-D380 PolarHBondContact NE-OD2 3.31Å; R337-D380 IonicContact NH2-OD2 2.84Å
338G60.7Low74.3Confident77 Ų7751.6 Ų51.679%0.79437%0.367SS*.THydrogen-bonded Turntrans80.1-4.3178.800000116.1T340G338-T340 VanDerWaalsContact C-N 3.34Å; G338-T340 PolarHBondContact O-N 3.16Å
339S60.4Low73.9Confident70 Ų7052 Ų5249%0.4937%0.371SS..SBendtrans-80-12.8179.6810000114.2S336 R337S336-S339 WeakPolarHBondContact O-CB 3.48Å; S336-S339 PolarHBondContact O-N 2.72Å; S336-S339 PolarHBondContact O-OG 3.34Å; R337-S339 VanDerWaalsContact C-N 3.3Å; R337-S339 PolarHBondContact O-N 3.03Å
340T57.3Low73.7Confident71 Ų7148.1 Ų48.144%0.43635%0.353SS..  trans-123.595.6-171.9-42.10000110.2G338 G342G338-T340 VanDerWaalsContact C-N 3.34Å; G338-T340 PolarHBondContact O-N 3.16Å; T340-G342 PolarHBondContact O-N 2.8Å
341G56.7Low73.5Confident98 Ų9848.1 Ų48.1100%1.0135%0.353SS*.THydrogen-bonded Turntrans-70.114.4177.900000115.8
342G57.6Low73.4Confident75 Ų7550 Ų5077%0.77336%0.363SS*.THydrogen-bonded Turntrans-137.86.3-164.800000117.7T340T340-G342 PolarHBondContact O-N 2.8Å
343G58.3Low73.5Confident31 Ų3150.2 Ų50.232%0.3236%0.36SS..SBendtrans-137.285.5-175.400000113.8G345G343-G345 PolarHBondContact O-N 2.81Å
344A58.8Low73.7Confident99 Ų9950.2 Ų50.282%0.81836%0.36SS*.THydrogen-bonded Turntrans33.812.5157.800000121.7V346A344-V346 HydrophobicContact CB-CG2 3.85Å; A344-V346 PolarHBondContact O-N 3Å
345G70.7Confident73.9Confident35 Ų3550.9 Ų50.936%0.36136%0.364SS..THydrogen-bonded Turntrans64.2-4.1-173.600000115G343 H347 D348 T349G343-G345 PolarHBondContact O-N 2.81Å; G345-H347 VanDerWaalsContact C-N 3.28Å; G345-H347 PolarHBondContact O-N 3.1Å; G345-D348 WeakPolarHBondContact O-CB 3.43Å; G345-D348 PolarHBondContact O-N 2.94Å; G345-T349 PolarHBondContact O-N 3.32Å
346V77.5Confident74.1Confident36 Ų3651.9 Ų51.922%0.21838%0.375CS..Hα-helixtrans-59.8-38.7-176.21780000111.2L291 A344 D348 T349 V350L291-V346 HydrophobicContact CD2-CG1 4.48Å; A344-V346 HydrophobicContact CB-CG2 3.85Å; A344-V346 PolarHBondContact O-N 3Å; V346-D348 VanDerWaalsContact C-N 3.33Å; V346-D348 PolarHBondContact O-N 3.27Å; V346-T349 PolarHBondContact O-N 2.96Å; V346-T349 PolarHBondContact O-OG1 3.22Å; V346-V350 HydrophobicContact CG1-CG2 4.17Å; V346-V350 WeakPolarHBondContact O-CB 3.43Å; V346-V350 WeakPolarHBondContact O-CG2 3.46Å; V346-V350 PolarHBondContact O-N 2.93Å
347H79.2Confident74.8Confident42 Ų4250 Ų5019%0.19436%0.361CS..Hα-helixtrans-59.8-43.3175.7-67-74.2000111.9A332 G345 T349 V350 V351A332-H347 PolarHBondContact O-CE1 3.28Å; A332-H347 PolarHBondContact O-ND1 2.9Å; G345-H347 VanDerWaalsContact C-N 3.28Å; G345-H347 PolarHBondContact O-N 3.1Å; H347-T349 PolarHBondContact O-N 3.24Å; H347-V350 PolarHBondContact O-N 3.5Å; H347-V351 VanDerWaalsContact O-CG2 3.31Å; H347-V351 WeakPolarHBondContact O-CG2 3.37Å; H347-V351 PolarHBondContact O-N 3.03Å
348D81.6Confident75.7Confident59 Ų5945.7 Ų45.732%0.31635%0.345SS..Hα-helixtrans-66.7-38.4-178.6-65.3-20.7000111.4G345 V346 V351 N352G345-D348 WeakPolarHBondContact O-CB 3.43Å; G345-D348 PolarHBondContact O-N 2.94Å; V346-D348 VanDerWaalsContact C-N 3.33Å; V346-D348 PolarHBondContact O-N 3.27Å; D348-V351 PolarHBondContact O-N 3.39Å; D348-N352 PolarHBondContact O-N 3Å; D348-N352 PolarHBondContact O-ND2 3.35Å; D348-N352 VanDerWaalsContact O-ND2 3.1Å
349T84.5Confident76.5Confident53 Ų5344.9 Ų44.933%0.32532%0.322SS..Hα-helixtrans-71.8-38.1178.873.70000112.4E299 G345 V346 H347 N352 Q353E299-T349 WeakPolarHBondContact OE1-CB 3.46Å; E299-T349 PolarHBondContact OE1-OG1 3.14Å; G345-T349 PolarHBondContact O-N 3.32Å; V346-T349 PolarHBondContact O-N 2.96Å; V346-T349 PolarHBondContact O-OG1 3.22Å; H347-T349 PolarHBondContact O-N 3.24Å; T349-N352 PolarHBondContact O-N 3.44Å; T349-Q353 PolarHBondContact O-N 2.85Å
350V87.5Confident76.9Confident0 Ų042.5 Ų42.50%031%0.308CS..Hα-helixtrans-60.1-44.8172.61680000111L291 S298 I302 I333 V346 H347 Q353 L354L291-V350 HydrophobicContact CD2-CG2 4.46Å; S298-V350 VanDerWaalsContact CB-CG2 3.49Å; I302-V350 HydrophobicContact CD1-CB 4.18Å; I302-V350 HydrophobicContact CD1-CG1 3.37Å; I302-V350 WeakPolarHBondContact CD1-O 3.32Å; I333-V350 HydrophobicContact CB-CG1 4.06Å; I333-V350 HydrophobicContact CG2-CG1 4.41Å; V346-V350 HydrophobicContact CG1-CG2 4.17Å; V346-V350 WeakPolarHBondContact O-CB 3.43Å; V346-V350 WeakPolarHBondContact O-CG2 3.46Å; V346-V350 PolarHBondContact O-N 2.93Å; H347-V350 PolarHBondContact O-N 3.5Å; V350-Q353 PolarHBondContact O-N 2.77Å; V350-L354 PolarHBondContact O-N 3Å
351V87.5Confident77Confident0 Ų046.1 Ų46.10%033%0.33CS..Hα-helixtrans-62.8-45.7174.8175.90000111.4I333 C334 H347 D348 Q353 L354 L355 D380 L383I333-V351 WeakPolarHBondContact O-CG2 3.39Å; C334-V351 HydrophobicContact CB-CG2 4.22Å; H347-V351 VanDerWaalsContact O-CG2 3.31Å; H347-V351 WeakPolarHBondContact O-CG2 3.37Å; H347-V351 PolarHBondContact O-N 3.03Å; D348-V351 PolarHBondContact O-N 3.39Å; V351-Q353 VanDerWaalsContact C-N 3.29Å; V351-Q353 PolarHBondContact O-N 3.42Å; V351-L354 PolarHBondContact O-N 2.83Å; V351-L355 HydrophobicContact CG1-CD1 3.98Å; V351-L355 HydrophobicContact CG1-CG 4.25Å; V351-L355 WeakPolarHBondContact O-CB 3.42Å; V351-L355 VanDerWaalsContact O-CG 3.27Å; V351-L355 WeakPolarHBondContact O-CG 3.42Å; V351-L355 PolarHBondContact O-N 2.83Å; V351-D380 HydrophobicContact CG1-CB 4.39Å; V351-D380 WeakPolarHBondContact CG1-OD2 3.49Å; V351-L383 HydrophobicContact CG1-CD1 4.17Å
352N87.6Confident77.4Confident69 Ų6946.6 Ų46.637%0.36931%0.31SS..Hα-helixtrans-59.3-40.3176.6-76.9-37.2000112.3R337 D348 T349 L355 T356R337-N352 PolarHBondContact NH1-OD1 3.05Å; R337-N352 PolarHBondContact NH2-OD1 3.49Å; D348-N352 PolarHBondContact O-N 3Å; D348-N352 PolarHBondContact O-ND2 3.35Å; D348-N352 VanDerWaalsContact O-ND2 3.1Å; T349-N352 PolarHBondContact O-N 3.44Å; N352-L355 PolarHBondContact O-N 3.26Å; N352-T356 WeakPolarHBondContact O-CB 3.5Å; N352-T356 PolarHBondContact O-N 2.75Å; N352-T356 PolarHBondContact O-OG1 3.07Å
353Q88.8Confident78Confident28 Ų2847.2 Ų47.213%0.13129%0.292CS..Hα-helixtrans-66.5-43.5177.7-173.862.867.100111.6E299 I302 R303 T349 V350 V351 T356 N357E299-Q353 HydrophobicContact CB-CB 4.44Å; E299-Q353 HydrophobicContact CB-CG 4.26Å; E299-Q353 HydrophobicContact CG-CB 4.33Å; I302-Q353 HydrophobicContact CB-CG 4.14Å; I302-Q353 HydrophobicContact CG2-CG 3.96Å; R303-Q353 HydrophobicContact CG-CG 4.15Å; R303-Q353 VanDerWaalsContact NH2-OE1 3.1Å; T349-Q353 PolarHBondContact O-N 2.85Å; V350-Q353 PolarHBondContact O-N 2.77Å; V351-Q353 VanDerWaalsContact C-N 3.29Å; V351-Q353 PolarHBondContact O-N 3.42Å; Q353-T356 PolarHBondContact O-N 3.39Å; Q353-N357 PolarHBondContact NE2-OD1 3.39Å; Q353-N357 PolarHBondContact O-N 3.29Å; Q353-N357 PolarHBondContact O-OD1 3.47Å
354L89.8Confident78.9Confident1 Ų146.1 Ų46.11%0.00528%0.279CS..Hα-helixtrans-61.9-44.9175.9-175.863.6000111.4I302 F306 F327 I330 V350 V351 T356 N357 M358 L383I302-L354 HydrophobicContact CD1-CB 4.42Å; I302-L354 HydrophobicContact CG2-CD1 4.45Å; F306-L354 HydrophobicContact CE2-CD1 3.95Å; F306-L354 HydrophobicContact CZ-CD1 3.88Å; F327-L354 HydrophobicContact CE2-CD1 4.08Å; F327-L354 HydrophobicContact CZ-CD1 4.29Å; I330-L354 HydrophobicContact CD1-CD2 4.48Å; V350-L354 PolarHBondContact O-N 3Å; V351-L354 PolarHBondContact O-N 2.83Å; L354-T356 PolarHBondContact O-N 3.36Å; L354-N357 PolarHBondContact O-N 2.93Å; L354-M358 HydrophobicContact CG-SD 4.3Å; L354-M358 WeakPolarHBondContact O-CG 3.31Å; L354-M358 PolarHBondContact O-N 2.99Å; L354-L383 HydrophobicContact CD2-CD2 4.08Å; L354-L383 HydrophobicContact CG-CD2 4.4Å
355L87.6Confident79.7Confident13 Ų1345.1 Ų45.17%0.06826%0.26CS..Hα-helixtrans-59.9-44175.7-73.9178.4000112.3V351 N352 N357 M358 D359 A382 L383 R388V351-L355 HydrophobicContact CG1-CD1 3.98Å; V351-L355 HydrophobicContact CG1-CG 4.25Å; V351-L355 WeakPolarHBondContact O-CB 3.42Å; V351-L355 VanDerWaalsContact O-CG 3.27Å; V351-L355 WeakPolarHBondContact O-CG 3.42Å; V351-L355 PolarHBondContact O-N 2.83Å; N352-L355 PolarHBondContact O-N 3.26Å; L355-N357 VanDerWaalsContact C-N 3.31Å; L355-N357 PolarHBondContact O-N 2.94Å; L355-M358 PolarHBondContact O-N 2.74Å; L355-D359 WeakPolarHBondContact O-CB 3.34Å; L355-D359 PolarHBondContact O-N 2.95Å; L355-A382 HydrophobicContact CD1-CB 3.93Å; L355-L383 HydrophobicContact CD2-CD2 3.32Å; L355-L383 HydrophobicContact CD2-CG 3.74Å; L355-L383 HydrophobicContact CG-CD2 3.97Å; L355-L383 HydrophobicContact CG-CG 4.3Å; L355-R388 HydrophobicContact CD2-CG 4.38Å
356T86.4Confident80.3Confident85 Ų8543.9 Ų43.952%0.52125%0.245SC..Hα-helixtrans-64.2-37178.7-56.30000111.4N352 Q353 L354 G360N352-T356 WeakPolarHBondContact O-CB 3.5Å; N352-T356 PolarHBondContact O-N 2.75Å; N352-T356 PolarHBondContact O-OG1 3.07Å; Q353-T356 PolarHBondContact O-N 3.39Å; L354-T356 PolarHBondContact O-N 3.36Å; T356-G360 WeakPolarHBondContact O-CA 3.42Å; T356-G360 PolarHBondContact O-N 2.87Å
357N85.5Confident80.9Confident14 Ų1442.3 Ų42.38%0.07524%0.235CC..Hα-helixtrans-73.3-30.1177.9-69.54.7000113F306 Q353 L354 L355F306-N357 HydrophobicContact CD1-CB 3.77Å; F306-N357 HydrophobicContact CD2-CB 4.19Å; F306-N357 HydrophobicContact CE1-CB 3.84Å; F306-N357 HydrophobicContact CE2-CB 4.26Å; F306-N357 HydrophobicContact CG-CB 3.96Å; F306-N357 HydrophobicContact CZ-CB 4.1Å; Q353-N357 PolarHBondContact NE2-OD1 3.39Å; Q353-N357 PolarHBondContact O-N 3.29Å; Q353-N357 PolarHBondContact O-OD1 3.47Å; L354-N357 PolarHBondContact O-N 2.93Å; L355-N357 VanDerWaalsContact C-N 3.31Å; L355-N357 PolarHBondContact O-N 2.94Å
358M84.9Confident81.4Confident4 Ų440.3 Ų40.32%0.0223%0.226CC..Hα-helixtrans-81.8-38.8178.2-68.8-177.77700113.4R254 L354 L355 V369 L383 R388 F389R254-M358 VanDerWaalsContact CD-O 3.28Å; R254-M358 WeakPolarHBondContact CD-O 3.28Å; R254-M358 PolarHBondContact NH1-O 3.49Å; L354-M358 HydrophobicContact CG-SD 4.3Å; L354-M358 WeakPolarHBondContact O-CG 3.31Å; L354-M358 PolarHBondContact O-N 2.99Å; L355-M358 PolarHBondContact O-N 2.74Å; M358-V369 HydrophobicContact CE-CB 4.26Å; M358-V369 HydrophobicContact CE-CG2 4.41Å; M358-L383 HydrophobicContact SD-CD2 4.39Å; M358-R388 VanDerWaalsContact CE-C 3.49Å; M358-R388 HydrophobicContact CE-CB 4.17Å; M358-F389 HydrophobicContact CE-CD1 4.41Å; M358-F389 HydrophobicContact CE-CE1 4.32Å; M358-F389 HydrophobicContact CE-CZ 4.4Å; M358-F389 HydrophobicContact SD-CE2 4.4Å; M358-F389 HydrophobicContact SD-CZ 4.42Å
359D78.4Confident81.9Confident60 Ų6037.5 Ų37.532%0.32121%0.211SC..Hα-helixtrans-111.3-7.2-169.2-121.711.9000113.7L355 R388L355-D359 WeakPolarHBondContact O-CB 3.34Å; L355-D359 PolarHBondContact O-N 2.95Å; D359-R388 IonicContact OD2-CZ 2.65Å; D359-R388 IonicContact OD2-NE 3.77Å; D359-R388 PolarHBondContact OD2-NE 3.19Å; D359-R388 IonicContact OD2-NH2 2.79Å; D359-R388 PolarHBondContact OD2-NH2 3.35Å
360G68Low82.4Confident19 Ų1935 Ų3520%0.19620%0.196CC..SBendtrans-60.8175.9-167.400000115.6T356 N362 Q363T356-G360 WeakPolarHBondContact O-CA 3.42Å; T356-G360 PolarHBondContact O-N 2.87Å; G360-N362 CarbonylContact O-C 3.6Å; G360-N362 PolarHBondContact O-N 2.89Å; G360-N362 VanDerWaalsContact O-N 3.17Å; G360-Q363 PolarHBondContact O-N 2.96Å
361V59.6Low82.7Confident148 Ų14835 Ų3590%0.89720%0.196SC*.SBendtrans-55.5-36.3-177-1720000111.6Q363V361-Q363 PolarHBondContact O-N 3.14Å
362N65.2Low83.1Confident107 Ų10735 Ų3557%0.57220%0.196SC*.SBendtrans-88.783.6171.1-62.4-29.1000108.7G360 L364G360-N362 CarbonylContact O-C 3.6Å; G360-N362 PolarHBondContact O-N 2.89Å; G360-N362 VanDerWaalsContact O-N 3.17Å; N362-L364 PolarHBondContact O-N 3.09Å
363Q69.6Low83.3Confident88 Ų8831.9 Ų31.941%0.41118%0.179SC..  trans-63.694.6178.2-86-168.325.300110.9G360 V361 N365G360-Q363 PolarHBondContact O-N 2.96Å; V361-Q363 PolarHBondContact O-N 3.14Å; Q363-N365 PolarHBondContact O-N 2.64Å; Q363-N365 PolarHBondContact O-ND2 3.12Å
364L77.1Confident83.3Confident8 Ų833.9 Ų33.94%0.04219%0.191CC..  trans-69.4119.5-179.8-60.5174.1000110.7R254 F306 E310 E313 N362 I367R254-L364 PolarHBondContact NE-O 2.88Å; F306-L364 HydrophobicContact CD1-CD1 4.25Å; E310-L364 HydrophobicContact CB-CD2 4.38Å; E310-L364 HydrophobicContact CG-CD1 3.69Å; E310-L364 HydrophobicContact CG-CD2 3.9Å; E310-L364 HydrophobicContact CG-CG 4.34Å; E313-L364 HydrophobicContact CB-CD2 4.22Å; E313-L364 HydrophobicContact CG-CD2 4.46Å; E313-L364 WeakPolarHBondContact OE2-CA 3.36Å; E313-L364 WeakPolarHBondContact OE2-CB 3.44Å; E313-L364 WeakPolarHBondContact OE2-CD2 3.4Å; N362-L364 PolarHBondContact O-N 3.09Å; L364-I367 HydrophobicContact CB-CB 4.45Å; L364-I367 HydrophobicContact CB-CG2 3.79Å
365N77.6Confident82.9Confident78 Ų7839.6 Ų39.642%0.41721%0.212SC..SBendtrans-94.5-15.4178.3-65.8-53.8000112.4E313 Q363E313-N365 PolarHBondContact OE1-N 3.37Å; E313-N365 VanDerWaalsContact OE1-N 3.14Å; E313-N365 PolarHBondContact OE2-N 3.46Å; Q363-N365 PolarHBondContact O-N 2.64Å; Q363-N365 PolarHBondContact O-ND2 3.12Å
366N83.1Confident82.9Confident10 Ų1043.8 Ų43.85%0.05323%0.227CC..SBendtrans-95.617.9-175.276.5-22.3000113.7A309 E313 S320 L322 H323A309-N366 PolarHBondContact O-ND2 3.3Å; E313-N366 PolarHBondContact OE2-OD1 3.04Å; S320-N366 VanDerWaalsContact CB-CB 3.47Å; L322-N366 CarbonylContact C-O 3.5Å; L322-N366 WeakPolarHBondContact CA-O 3.1Å; L322-N366 WeakPolarHBondContact CD1-O 3.28Å; H323-N366 PolarHBondContact N-O 3.24Å
367I89.2Confident82.8Confident2 Ų245.1 Ų45.11%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-120.6146.9-175.5-165.2159.1000113R238 F306 A309 H323 I325 L364 V369R238-I367 PolarHBondContact NH2-O 3.39Å; F306-I367 HydrophobicContact CD1-CD1 3.21Å; F306-I367 HydrophobicContact CE1-CD1 3.24Å; F306-I367 HydrophobicContact CE1-CG1 4.47Å; F306-I367 HydrophobicContact CG-CD1 4.15Å; F306-I367 HydrophobicContact CZ-CD1 4.2Å; A309-I367 HydrophobicContact CB-CD1 4.38Å; H323-I367 CarbonylContact O-C 3.55Å; H323-I367 WeakPolarHBondContact O-CA 3.25Å; I325-I367 HydrophobicContact CD1-CD1 3.73Å; I325-I367 HydrophobicContact CG1-CD1 4.41Å; L364-I367 HydrophobicContact CB-CB 4.45Å; L364-I367 HydrophobicContact CB-CG2 3.79Å; I367-V369 HydrophobicContact CD1-CG2 4.36Å; I367-V369 HydrophobicContact CG1-CG2 4.22Å
368L89.8Confident82.7Confident0 Ų046.5 Ų46.50%024%0.238CC..EExtended strand (participates in β ladder)trans-134.6117.8167.3179.268.9000109.6T234 F235 R254 I256 L277 L322 H323 I324 I325 I370T234-L368 HydrophobicContact CG2-CD1 4.06Å; F235-L368 HydrophobicContact CE1-CD2 3.76Å; F235-L368 HydrophobicContact CZ-CD2 3.99Å; R254-L368 CarbonylContact O-C 3.46Å; R254-L368 WeakPolarHBondContact O-CA 3.33Å; I256-L368 HydrophobicContact CD1-CD1 4Å; I256-L368 HydrophobicContact CD1-CD2 4.42Å; I256-L368 HydrophobicContact CG1-CD1 4.16Å; L277-L368 HydrophobicContact CD1-CD2 4.04Å; L322-L368 HydrophobicContact CD1-CB 4.01Å; H323-L368 PolarHBondContact O-N 3.04Å; I324-L368 WeakPolarHBondContact CA-O 3.33Å; I324-L368 HydrophobicContact CG1-CB 4.45Å; I325-L368 PolarHBondContact N-O 3.4Å; L368-I370 HydrophobicContact CD2-CD1 4.27Å; L368-I370 HydrophobicContact CD2-CG1 4.38Å; L368-I370 HydrophobicContact CG-CG1 4.23Å
369V93.1Very high82.9Confident1 Ų146.7 Ų46.71%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-100.6124.7176.4-173.30000109.2R254 G255 I256 F306 I325 F327 M358 I367 F389R254-V369 PolarHBondContact O-N 2.83Å; G255-V369 CarbonylContact C-O 3.56Å; G255-V369 VanDerWaalsContact CA-O 3.23Å; G255-V369 WeakPolarHBondContact CA-O 3.32Å; I256-V369 PolarHBondContact N-O 2.82Å; F306-V369 HydrophobicContact CE1-CG2 4.16Å; F306-V369 HydrophobicContact CZ-CG2 3.98Å; I325-V369 CarbonylContact O-C 3.51Å; I325-V369 WeakPolarHBondContact O-CA 2.87Å; F327-V369 HydrophobicContact CD2-CG1 3.6Å; F327-V369 HydrophobicContact CE2-CG1 3.61Å; M358-V369 HydrophobicContact CE-CB 4.26Å; M358-V369 HydrophobicContact CE-CG2 4.41Å; I367-V369 HydrophobicContact CD1-CG2 4.36Å; I367-V369 HydrophobicContact CG1-CG2 4.22Å; V369-F389 HydrophobicContact CB-CE1 4.26Å; V369-F389 HydrophobicContact CG1-CE1 3.84Å; V369-F389 HydrophobicContact CG1-CZ 3.89Å
370I94Very high83.3Confident0 Ų044.5 Ų44.50%023%0.227CC..EExtended strand (participates in β ladder)trans-113.1109.4176.3-56175.8000108I256 L258 A270 I273 I324 I325 I326 F327 L368I256-I370 HydrophobicContact CB-CG1 4.45Å; I256-I370 HydrophobicContact CD1-CG1 4.47Å; I256-I370 CarbonylContact O-C 3.56Å; I256-I370 WeakPolarHBondContact O-CA 3.47Å; L258-I370 HydrophobicContact CD1-CG2 4.11Å; L258-I370 HydrophobicContact CG-CG2 4.28Å; A270-I370 HydrophobicContact CB-CG2 3.89Å; I273-I370 HydrophobicContact CB-CD1 4.37Å; I273-I370 HydrophobicContact CG2-CD1 3.93Å; I324-I370 HydrophobicContact CG2-CD1 4.16Å; I325-I370 PolarHBondContact O-N 3.35Å; I326-I370 CarbonylContact C-O 3.55Å; I326-I370 WeakPolarHBondContact CA-O 3.47Å; I326-I370 HydrophobicContact CG1-CB 4.33Å; I326-I370 HydrophobicContact CG1-CD1 4.42Å; F327-I370 PolarHBondContact N-O 2.93Å; L368-I370 HydrophobicContact CD2-CD1 4.27Å; L368-I370 HydrophobicContact CD2-CG1 4.38Å; L368-I370 HydrophobicContact CG-CG1 4.23Å
371G94.6Very high84.3Confident0 Ų050.6 Ų50.60%025%0.25CS..EExtended strand (participates in β ladder)trans-93.4138.7172.900000111I256 L257 L258 F327I256-G371 PolarHBondContact O-N 3.49Å; L257-G371 CarbonylContact C-O 3.56Å; L257-G371 WeakPolarHBondContact CA-O 3.35Å; L258-G371 PolarHBondContact N-O 3.1Å; F327-G371 CarbonylContact O-C 3.59Å
372M94.8Very high85.6Confident1 Ų144.3 Ų44.31%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-122.8133.5175.8-56.3178.5-63.300109.8L258 T267 A270 I326 F327 D328 E329 I330L258-M372 HydrophobicContact CB-CG 4.35Å; L258-M372 HydrophobicContact CD1-CG 4.43Å; L258-M372 WeakPolarHBondContact O-CA 3.48Å; T267-M372 VanDerWaalsContact CA-SD 3.52Å; T267-M372 HydrophobicContact CG2-CE 4.27Å; A270-M372 HydrophobicContact CB-CE 4.47Å; A270-M372 HydrophobicContact CB-CG 4.38Å; A270-M372 HydrophobicContact CB-SD 3.43Å; A270-M372 WeakPolarHBondContact CB-SD 3.37Å; I326-M372 HydrophobicContact CG2-CE 3.54Å; I326-M372 HydrophobicContact CG2-SD 4.22Å; F327-M372 PolarHBondContact O-N 3.31Å; D328-M372 HydrophobicContact CB-CE 3.5Å; D328-M372 VanDerWaalsContact CB-CE 3.5Å; E329-M372 PolarHBondContact N-O 2.89Å; I330-M372 PolarHBondContact N-O 3.4Å
373T92.7Very high86.8Confident2 Ų239.2 Ų39.21%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-147.3149.6177-175.30000112.6L257 L258 Y259 G260 K266 D331 R375 I379L257-T373 HydrophobicContact CD1-CG2 4.12Å; L258-T373 PolarHBondContact O-N 3.1Å; Y259-T373 VanDerWaalsContact CA-O 3.25Å; Y259-T373 WeakPolarHBondContact CA-O 3.45Å; G260-T373 PolarHBondContact N-O 3.32Å; K266-T373 WeakPolarHBondContact CE-O 3.19Å; D331-T373 WeakPolarHBondContact CB-OG1 3.42Å; D331-T373 WeakPolarHBondContact OD1-CB 3.28Å; D331-T373 PolarHBondContact OD1-OG1 2.86Å; T373-R375 PolarHBondContact OG1-N 3.37Å; T373-R375 PolarHBondContact OG1-O 3.19Å; T373-I379 HydrophobicContact CG2-CD1 4.5Å; T373-I379 HydrophobicContact CG2-CG1 4.23Å
374N88.2Confident87.7Confident71 Ų7136.5 Ų36.538%0.3818%0.175SC..SBendtrans-85.7-16.9166.9-63.3-43.8000111.9G260 K266G260-N374 WeakPolarHBondContact O-CA 3.46Å; G260-N374 PolarHBondContact O-OD1 2.95Å; K266-N374 WeakPolarHBondContact CE-OD1 3.21Å; K266-N374 PolarHBondContact NZ-OD1 3.43Å
375R82.3Confident88.3Confident120 Ų12043.3 Ų43.345%0.45320%0.2SC..  trans-132.881.5-167.3-64.6-168.866.5-175.6-4.3111.5T373 D377 M378T373-R375 PolarHBondContact OG1-N 3.37Å; T373-R375 PolarHBondContact OG1-O 3.19Å; R375-D377 VanDerWaalsContact C-OD1 3.31Å; R375-D377 VanDerWaalsContact CA-OD1 3.31Å; R375-D377 WeakPolarHBondContact CA-OD1 3.31Å; R375-D377 WeakPolarHBondContact CB-OD1 3.32Å; R375-D377 IonicContact CZ-OD2 2.9Å; R375-D377 IonicContact NE-OD1 2.6Å; R375-D377 IonicContact NE-OD2 3.65Å; R375-D377 IonicContact NH2-OD2 2.87Å; R375-D377 PolarHBondContact NH2-OD2 3.06Å; R375-D377 PolarHBondContact O-N 3.47Å; R375-M378 HydrophobicContact CB-CB 4.3Å; R375-M378 HydrophobicContact CB-CG 3.98Å; R375-M378 VanDerWaalsContact CZ-CG 3.49Å; R375-M378 PolarHBondContact NH2-SD 3.01Å; R375-M378 PolarHBondContact O-N 2.99Å
376R87.2Confident88.6Confident101 Ų10144.6 Ų44.638%0.38121%0.213SC..G310 helixtrans-59.6-31.7176-178.7-179.8174.8-146.7-2.3112.4Y259 M378 I379 Q392Y259-R376 HydrophobicContact CD2-CB 3.94Å; Y259-R376 HydrophobicContact CD2-CG 4.48Å; Y259-R376 HydrophobicContact CG-CB 4.01Å; Y259-R376 HydrophobicContact CG-CG 4.39Å; Y259-R376 PolarHBondContact OH-NH1 3.23Å; R376-M378 PolarHBondContact O-N 3.27Å; R376-I379 PolarHBondContact O-N 2.9Å; R376-Q392 VanDerWaalsContact CZ-OE1 3.3Å
377D83.6Confident88.6Confident114 Ų11445.3 Ų45.361%0.6122%0.223SC*.G310 helixtrans-59-25.417856.8-58.9000113.7R375R375-D377 VanDerWaalsContact C-OD1 3.31Å; R375-D377 VanDerWaalsContact CA-OD1 3.31Å; R375-D377 WeakPolarHBondContact CA-OD1 3.31Å; R375-D377 WeakPolarHBondContact CB-OD1 3.32Å; R375-D377 IonicContact CZ-OD2 2.9Å; R375-D377 IonicContact NE-OD1 2.6Å; R375-D377 IonicContact NE-OD2 3.65Å; R375-D377 IonicContact NH2-OD2 2.87Å; R375-D377 PolarHBondContact NH2-OD2 3.06Å; R375-D377 PolarHBondContact O-N 3.47Å
378M84.7Confident88.6Confident42 Ų4247.2 Ų47.221%0.20723%0.23CC..G310 helixtrans-88.5-13.7-177.9-67.5-64.5-59.600113.2D331 K335 S336 R375 R376D331-M378 HydrophobicContact CB-CB 4.16Å; K335-M378 CarbonylContact C-O 3.58Å; K335-M378 VanDerWaalsContact CA-O 3.26Å; K335-M378 WeakPolarHBondContact CA-O 3.36Å; K335-M378 HydrophobicContact CD-CE 4.25Å; K335-M378 HydrophobicContact CG-CE 4.32Å; S336-M378 PolarHBondContact N-O 3.37Å; R375-M378 HydrophobicContact CB-CB 4.3Å; R375-M378 HydrophobicContact CB-CG 3.98Å; R375-M378 VanDerWaalsContact CZ-CG 3.49Å; R375-M378 PolarHBondContact NH2-SD 3.01Å; R375-M378 PolarHBondContact O-N 2.99Å; R376-M378 PolarHBondContact O-N 3.27Å
379I88.2Confident88.6Confident8 Ų847.2 Ų47.24%0.04123%0.23CC..BIsolated β-bridgetrans-76.8135.6-174.2-58.7-61.5000111I330 D331 C334 T373 R376 E381 L383 L384I330-I379 HydrophobicContact CG2-CD1 3.8Å; D331-I379 HydrophobicContact CB-CD1 3.67Å; C334-I379 HydrophobicContact CB-CD1 4.4Å; C334-I379 WeakPolarHBondContact O-CA 3.33Å; T373-I379 HydrophobicContact CG2-CD1 4.5Å; T373-I379 HydrophobicContact CG2-CG1 4.23Å; R376-I379 PolarHBondContact O-N 2.9Å; I379-E381 PolarHBondContact O-N 3.32Å; I379-L383 HydrophobicContact CG2-CB 4.35Å; I379-L384 HydrophobicContact CG2-CD2 3.95Å; I379-L384 HydrophobicContact CG2-CG 4.2Å
380D87.5Confident88.4Confident14 Ų1452 Ų528%0.07525%0.252CS..  trans-55.4122.8172.5-173.3-21.1000111.3C334 R337 V351 A382 L383C334-D380 PolarHBondContact O-N 3.34Å; R337-D380 WeakPolarHBondContact CG-OD2 3.39Å; R337-D380 IonicContact CZ-OD2 3.68Å; R337-D380 IonicContact NE-OD2 2.69Å; R337-D380 PolarHBondContact NE-OD2 3.31Å; R337-D380 IonicContact NH2-OD2 2.84Å; V351-D380 HydrophobicContact CG1-CB 4.39Å; V351-D380 WeakPolarHBondContact CG1-OD2 3.49Å; D380-A382 PolarHBondContact O-N 3.24Å; D380-A382 VanDerWaalsContact O-N 3.08Å; D380-A382 WeakPolarHBondContact OD1-CB 3.31Å; D380-A382 PolarHBondContact OD1-N 3.38Å; D380-L383 HydrophobicContact CB-CD1 4.38Å; D380-L383 WeakPolarHBondContact O-CB 3.43Å; D380-L383 PolarHBondContact O-N 3.44Å
381E87.6Confident88.2Confident147 Ų14752.5 Ų52.569%0.68726%0.255SS*.THydrogen-bonded Turntrans-56-27178.3-65.6-171.3166.800113.2I379 L383 L384I379-E381 PolarHBondContact O-N 3.32Å; E381-L383 PolarHBondContact O-N 3.42Å; E381-L384 PolarHBondContact O-N 2.84Å; E381-L384 VanDerWaalsContact O-N 3.14Å
382A88.3Confident88Confident16 Ų1654.9 Ų54.913%0.13227%0.266CS..THydrogen-bonded Turntrans-58.9-37.3175.600000111.3L355 D380 L384 R388L355-A382 HydrophobicContact CD1-CB 3.93Å; D380-A382 PolarHBondContact O-N 3.24Å; D380-A382 VanDerWaalsContact O-N 3.08Å; D380-A382 WeakPolarHBondContact OD1-CB 3.31Å; D380-A382 PolarHBondContact OD1-N 3.38Å; A382-L384 VanDerWaalsContact C-N 3.32Å; A382-R388 WeakPolarHBondContact O-CD 3.4Å; A382-R388 PolarHBondContact O-NH1 3.46Å
383L89.6Confident87.9Confident0 Ų055.9 Ų55.90%027%0.271CS..THydrogen-bonded Turntrans-73.5-24.3179.4-78.8164.8000112.9C334 V351 L354 L355 M358 I379 D380 E381 R385 R388 F389C334-L383 HydrophobicContact CB-CD1 3.47Å; C334-L383 VanDerWaalsContact CB-CD1 3.47Å; C334-L383 WeakPolarHBondContact SG-CD1 3.05Å; V351-L383 HydrophobicContact CG1-CD1 4.17Å; L354-L383 HydrophobicContact CD2-CD2 4.08Å; L354-L383 HydrophobicContact CG-CD2 4.4Å; L355-L383 HydrophobicContact CD2-CD2 3.32Å; L355-L383 HydrophobicContact CD2-CG 3.74Å; L355-L383 HydrophobicContact CG-CD2 3.97Å; L355-L383 HydrophobicContact CG-CG 4.3Å; M358-L383 HydrophobicContact SD-CD2 4.39Å; I379-L383 HydrophobicContact CG2-CB 4.35Å; D380-L383 HydrophobicContact CB-CD1 4.38Å; D380-L383 WeakPolarHBondContact O-CB 3.43Å; D380-L383 PolarHBondContact O-N 3.44Å; E381-L383 PolarHBondContact O-N 3.42Å; L383-R385 VanDerWaalsContact C-N 3.3Å; L383-R385 PolarHBondContact O-N 3.33Å; L383-R388 VanDerWaalsContact O-CB 3.26Å; L383-R388 WeakPolarHBondContact O-CB 3.29Å; L383-F389 HydrophobicContact CB-CD2 3.99Å; L383-F389 HydrophobicContact CB-CE2 4.39Å; L383-F389 HydrophobicContact CD2-CD2 4.25Å; L383-F389 HydrophobicContact CD2-CE2 4Å; L383-F389 WeakPolarHBondContact O-CB 3.43Å; L383-F389 PolarHBondContact O-N 3.05Å
384L89.8Confident87.7Confident32 Ų3257.6 Ų57.617%0.16828%0.278CS..THydrogen-bonded Turntrans-81.8-3.7-176.8-59.3-177.8000113.9L257 I379 E381 A382 Q392L257-L384 HydrophobicContact CD2-CD2 3.41Å; L257-L384 VanDerWaalsContact CD2-CD2 3.41Å; I379-L384 HydrophobicContact CG2-CD2 3.95Å; I379-L384 HydrophobicContact CG2-CG 4.2Å; E381-L384 PolarHBondContact O-N 2.84Å; E381-L384 VanDerWaalsContact O-N 3.14Å; A382-L384 VanDerWaalsContact C-N 3.32Å; L384-Q392 PolarHBondContact O-NE2 2.89Å
385R88.6Confident87.8Confident151 Ų15154.2 Ų54.257%0.5726%0.26SS*.SBendtrans-75149.8-178.7-65.7-176.5-175.8171.91.7112L383 R388L383-R385 VanDerWaalsContact C-N 3.3Å; L383-R385 PolarHBondContact O-N 3.33Å; R385-R388 PolarHBondContact O-N 2.95Å; R385-R388 VanDerWaalsContact O-N 3.13Å
386P84.4Confident87.8Confident105 Ų10550.3 Ų50.368%0.68225%0.251SS*.THydrogen-bonded Turntrans-52.2142.7173.3-26.435.1000112.5E390P386-E390 HydrophobicContact CB-CG 4.16Å
387G81.8Confident87.7Confident25 Ų2547.6 Ų47.626%0.25824%0.244SC..THydrogen-bonded Turntrans91.7-23.3-168.900000115.3E390G387-E390 PolarHBondContact N-OE2 3.48Å; G387-E390 VanDerWaalsContact N-OE2 3.16Å
388R89.6Confident87.8Confident41 Ų4142.8 Ų42.816%0.15522%0.219CC..SBendtrans-104.8-111.8177.7-60.2162-173.6-163.2-5109.9G255 L355 M358 D359 A382 L383 R385 E390G255-R388 WeakPolarHBondContact CA-O 3.47Å; G255-R388 PolarHBondContact N-O 3.43Å; G255-R388 VanDerWaalsContact N-O 3.09Å; L355-R388 HydrophobicContact CD2-CG 4.38Å; M358-R388 VanDerWaalsContact CE-C 3.49Å; M358-R388 HydrophobicContact CE-CB 4.17Å; D359-R388 IonicContact OD2-CZ 2.65Å; D359-R388 IonicContact OD2-NE 3.77Å; D359-R388 PolarHBondContact OD2-NE 3.19Å; D359-R388 IonicContact OD2-NH2 2.79Å; D359-R388 PolarHBondContact OD2-NH2 3.35Å; A382-R388 WeakPolarHBondContact O-CD 3.4Å; A382-R388 PolarHBondContact O-NH1 3.46Å; L383-R388 VanDerWaalsContact O-CB 3.26Å; L383-R388 WeakPolarHBondContact O-CB 3.29Å; R385-R388 PolarHBondContact O-N 2.95Å; R385-R388 VanDerWaalsContact O-N 3.13Å; R388-E390 PolarHBondContact O-N 3.38Å
389F90.5Very high87.9Confident0 Ų044.8 Ų44.80%023%0.231CC..SBendtrans-82.864.3164.7-65.2-64.6000110.6I256 L257 I330 M358 V369 L383 M391 Q392I256-F389 WeakPolarHBondContact O-CD1 3.26Å; L257-F389 HydrophobicContact CB-CB 4.01Å; L257-F389 HydrophobicContact CB-CD1 4.25Å; L257-F389 HydrophobicContact CB-CG 4.19Å; I330-F389 HydrophobicContact CD1-CE2 3.68Å; I330-F389 HydrophobicContact CD1-CZ 3.51Å; M358-F389 HydrophobicContact CE-CD1 4.41Å; M358-F389 HydrophobicContact CE-CE1 4.32Å; M358-F389 HydrophobicContact CE-CZ 4.4Å; M358-F389 HydrophobicContact SD-CE2 4.4Å; M358-F389 HydrophobicContact SD-CZ 4.42Å; V369-F389 HydrophobicContact CB-CE1 4.26Å; V369-F389 HydrophobicContact CG1-CE1 3.84Å; V369-F389 HydrophobicContact CG1-CZ 3.89Å; L383-F389 HydrophobicContact CB-CD2 3.99Å; L383-F389 HydrophobicContact CB-CE2 4.39Å; L383-F389 HydrophobicContact CD2-CD2 4.25Å; L383-F389 HydrophobicContact CD2-CE2 4Å; L383-F389 WeakPolarHBondContact O-CB 3.43Å; L383-F389 PolarHBondContact O-N 3.05Å; F389-M391 VanDerWaalsContact C-N 3.33Å; F389-Q392 WeakPolarHBondContact O-CG 3.43Å; F389-Q392 PolarHBondContact O-NE2 3.42Å
390E88.7Confident87.9Confident102 Ų10249.7 Ų49.748%0.47725%0.254SS..  trans-63.2-42.3179.5-178.917316000111.7P386 G387 R388P386-E390 HydrophobicContact CB-CG 4.16Å; G387-E390 PolarHBondContact N-OE2 3.48Å; G387-E390 VanDerWaalsContact N-OE2 3.16Å; R388-E390 PolarHBondContact O-N 3.38Å
391M89.3Confident88Confident11 Ų1153.4 Ų53.45%0.05427%0.273CS..EExtended strand (participates in β ladder)trans-86.7116.6176.9-166-60.3-143.500108.7I230 V253 G255 I256 L257 F389 M393I230-M391 HydrophobicContact CB-CE 3.65Å; I230-M391 HydrophobicContact CD1-CE 3.42Å; I230-M391 VanDerWaalsContact CD1-CE 3.42Å; I230-M391 HydrophobicContact CG1-CE 3.22Å; I230-M391 HydrophobicContact CG2-CE 3.81Å; V253-M391 HydrophobicContact CG1-CB 4.27Å; G255-M391 PolarHBondContact O-N 3.29Å; I256-M391 CarbonylContact C-O 3.56Å; I256-M391 WeakPolarHBondContact CA-O 3.46Å; I256-M391 HydrophobicContact CG1-CB 4.2Å; I256-M391 HydrophobicContact CG2-CE 4.05Å; I256-M391 HydrophobicContact CG2-SD 3.96Å; L257-M391 PolarHBondContact N-O 2.72Å; F389-M391 VanDerWaalsContact C-N 3.33Å; M391-M393 HydrophobicContact CE-CB 3.77Å; M391-M393 HydrophobicContact CE-CE 3.56Å; M391-M393 HydrophobicContact CE-CG 4.39Å; M391-M393 HydrophobicContact SD-CB 3.89Å; M391-M393 HydrophobicContact SD-CE 4.39Å
392Q91.5Very high88.1Confident50 Ų5046.4 Ų46.423%0.23424%0.241CC..EExtended strand (participates in β ladder)trans-119.1124.9174.7-58.9172.333.700109.1L257 Y259 R376 L384 F389L257-Q392 HydrophobicContact CB-CG 4.29Å; L257-Q392 HydrophobicContact CD2-CG 4.44Å; L257-Q392 WeakPolarHBondContact O-CA 3.46Å; Y259-Q392 HydrophobicContact CE1-CB 4.1Å; R376-Q392 VanDerWaalsContact CZ-OE1 3.3Å; L384-Q392 PolarHBondContact O-NE2 2.89Å; F389-Q392 WeakPolarHBondContact O-CG 3.43Å; F389-Q392 PolarHBondContact O-NE2 3.42Å
393M91.4Very high88.3Confident22 Ų2246.5 Ų46.511%0.10824%0.238CC..EExtended strand (participates in β ladder)trans-125123.4-179.4-169.862.470.400110.9E226 A229 I230 L257 L258 Y259 M391E226-M393 HydrophobicContact CB-CG 4.23Å; E226-M393 HydrophobicContact CB-SD 4.14Å; E226-M393 HydrophobicContact CG-CG 4.43Å; E226-M393 HydrophobicContact CG-SD 4.14Å; A229-M393 HydrophobicContact CB-CE 3.75Å; I230-M393 HydrophobicContact CD1-CB 4.38Å; I230-M393 HydrophobicContact CD1-CG 4.33Å; I230-M393 HydrophobicContact CG1-CE 4.04Å; L257-M393 PolarHBondContact O-N 3.17Å; L258-M393 HydrophobicContact CD2-CB 4Å; Y259-M393 WeakPolarHBondContact CD1-O 3.5Å; Y259-M393 PolarHBondContact N-O 3.35Å; M391-M393 HydrophobicContact CE-CB 3.77Å; M391-M393 HydrophobicContact CE-CE 3.56Å; M391-M393 HydrophobicContact CE-CG 4.39Å; M391-M393 HydrophobicContact SD-CB 3.89Å; M391-M393 HydrophobicContact SD-CE 4.39Å
394E89.3Confident88.5Confident38 Ų3848 Ų4818%0.17825%0.245CC..EExtended strand (participates in β ladder)trans-82.2114.7170.9-167172.5149.300108.4Y259 S396 K637 R640Y259-E394 HydrophobicContact CD2-CB 4.36Å; Y259-E394 HydrophobicContact CD2-CG 4.21Å; Y259-E394 HydrophobicContact CE1-CB 4.29Å; Y259-E394 HydrophobicContact CE2-CB 3.61Å; Y259-E394 HydrophobicContact CE2-CG 3.56Å; Y259-E394 CarbonylContact O-C 3.52Å; Y259-E394 VanDerWaalsContact O-CA 3.28Å; Y259-E394 WeakPolarHBondContact O-CA 3.25Å; Y259-E394 PolarHBondContact OH-OE2 3.43Å; E394-S396 PolarHBondContact O-N 3.02Å; E394-K637 IonicContact OE2-NZ 2.67Å; E394-K637 PolarHBondContact OE2-NZ 2.89Å; E394-K637 VanDerWaalsContact OE2-NZ 3.07Å; E394-R640 IonicContact OE1-CZ 3.4Å; E394-R640 IonicContact OE1-NH1 3.42Å; E394-R640 IonicContact OE1-NH2 3.89Å; E394-R640 PolarHBondContact OE1-NH2 3.28Å
395I89.6Confident88.7Confident0 Ų048.3 Ų48.30%025%0.246CC..  trans-92.494.7169.7-52.2-162.8000108L223 L258 Y259 P261 T264 K266 M269L223-I395 HydrophobicContact CD1-CG2 4.1Å; L223-I395 HydrophobicContact CD2-CG2 3.69Å; L258-I395 HydrophobicContact CB-CD1 4.39Å; L258-I395 HydrophobicContact CD1-CD1 4.42Å; L258-I395 HydrophobicContact CD2-CD1 4.46Å; Y259-I395 PolarHBondContact O-N 2.99Å; P261-I395 WeakPolarHBondContact CD-O 2.99Å; T264-I395 PolarHBondContact OG1-O 3.35Å; K266-I395 HydrophobicContact CB-CD1 4.35Å; K266-I395 HydrophobicContact CG-CB 4.19Å; K266-I395 HydrophobicContact CG-CD1 3.87Å; K266-I395 HydrophobicContact CG-CG1 4.25Å; M269-I395 HydrophobicContact CB-CD1 4.28Å; M269-I395 HydrophobicContact SD-CD1 3.39Å; M269-I395 WeakPolarHBondContact SD-CD1 2.98Å; M269-I395 HydrophobicContact SD-CG1 4.37Å
396S83.2Confident88.9Confident38 Ų3841.8 Ų41.827%0.26622%0.223SC..PPolyproline II helixtrans-74.2173.4175.937.40000112.8E394E394-S396 PolarHBondContact O-N 3.02Å
397L83.9Confident89.3Confident43 Ų4336.8 Ų36.823%0.22519%0.19CC..PPolyproline II helixtrans-61.8145.8169.2-66.6168.1000110.1T264 N435 F492T264-L397 HydrophobicContact CG2-CD2 4.04Å; L397-N435 HydrophobicContact CD1-CB 4.07Å; L397-F492 HydrophobicContact CD1-CB 3.85Å; L397-F492 HydrophobicContact CD1-CG 4.3Å
398P86.7Confident89.9Confident13 Ų1338.8 Ų38.88%0.08420%0.195CC..PPolyproline II helixtrans-65.5142.2179.727.6-35.3000111.9R403 I406 F436P398-R403 HydrophobicContact CB-CG 4.02Å; P398-R403 HydrophobicContact CG-CG 3.73Å; P398-R403 PolarHBondContact O-NH1 3.38Å; P398-R403 VanDerWaalsContact O-NH1 3.12Å; P398-I406 HydrophobicContact CB-CD1 3.82Å; P398-I406 HydrophobicContact CG-CD1 3.86Å; P398-F436 WeakPolarHBondContact CD-O 3.4Å; P398-F436 VanDerWaalsContact CG-O 3.3Å; P398-F436 WeakPolarHBondContact CG-O 3.32Å
399D85.3Confident90Very high85 Ų8539 Ų3946%0.45520%0.198SC..  trans-71177168.563.85.6000111.1D401 G402 R403D399-D401 VanDerWaalsContact C-N 3.31Å; D399-D401 PolarHBondContact O-N 3.01Å; D399-G402 PolarHBondContact O-N 3.49Å; D399-G402 WeakPolarHBondContact OD1-CA 3.14Å; D399-G402 PolarHBondContact OD1-N 3.23Å; D399-R403 VanDerWaalsContact O-CG 3.31Å; D399-R403 WeakPolarHBondContact O-CG 3.47Å; D399-R403 PolarHBondContact O-N 3.16Å
400E88.3Confident90Very high111 Ų11142 Ų4252%0.51921%0.212SC..Hα-helixtrans-60.7-39.6-176.7-172.4174.8162.500113R403 L404 A430E400-R403 PolarHBondContact O-N 2.93Å; E400-L404 PolarHBondContact O-N 3.42Å; E400-A430 HydrophobicContact CG-CB 4.38Å
401D90.4Very high90.2Very high91 Ų9137.1 Ų37.149%0.48719%0.19SC..Hα-helixtrans-66.5-43.9174.7-169.566.5000111.2D399 R403 L404 Q405D399-D401 VanDerWaalsContact C-N 3.31Å; D399-D401 PolarHBondContact O-N 3.01Å; D401-R403 VanDerWaalsContact C-N 3.32Å; D401-R403 PolarHBondContact O-N 2.92Å; D401-L404 WeakPolarHBondContact O-CA 3.37Å; D401-L404 WeakPolarHBondContact O-CB 3.41Å; D401-L404 PolarHBondContact O-N 3.26Å; D401-L404 VanDerWaalsContact O-N 3.1Å; D401-Q405 WeakPolarHBondContact O-CG 3.06Å; D401-Q405 PolarHBondContact O-N 3.21Å; D401-Q405 PolarHBondContact OD2-NE2 3.32Å
402G90.7Very high90.2Very high1 Ų138.6 Ų38.61%0.0120%0.201CC..Hα-helixtrans-60.2-39174.500000113D399 Q405 I406D399-G402 PolarHBondContact O-N 3.49Å; D399-G402 WeakPolarHBondContact OD1-CA 3.14Å; D399-G402 PolarHBondContact OD1-N 3.23Å; G402-Q405 PolarHBondContact O-N 3.19Å; G402-I406 WeakPolarHBondContact O-CD1 3.05Å; G402-I406 WeakPolarHBondContact O-CG1 3.21Å; G402-I406 PolarHBondContact O-N 3.2Å
403R92Very high90.1Very high18 Ų1844.3 Ų44.37%0.06823%0.225CC..Hα-helixtrans-64.4-40.9173-69.2-163.8-59.7-78.81111.8P398 D399 E400 D401 Q405 I406 L407 A430 T433 I441P398-R403 HydrophobicContact CB-CG 4.02Å; P398-R403 HydrophobicContact CG-CG 3.73Å; P398-R403 PolarHBondContact O-NH1 3.38Å; P398-R403 VanDerWaalsContact O-NH1 3.12Å; D399-R403 VanDerWaalsContact O-CG 3.31Å; D399-R403 WeakPolarHBondContact O-CG 3.47Å; D399-R403 PolarHBondContact O-N 3.16Å; E400-R403 PolarHBondContact O-N 2.93Å; D401-R403 VanDerWaalsContact C-N 3.32Å; D401-R403 PolarHBondContact O-N 2.92Å; R403-Q405 VanDerWaalsContact C-N 3.35Å; R403-I406 PolarHBondContact O-N 3.22Å; R403-L407 WeakPolarHBondContact O-CB 3.49Å; R403-L407 WeakPolarHBondContact O-CG 3.37Å; R403-L407 PolarHBondContact O-N 3.47Å; R403-A430 HydrophobicContact CB-CB 4.32Å; R403-A430 PolarHBondContact NE-O 3.29Å; R403-A430 PolarHBondContact NH2-O 3.44Å; R403-T433 WeakPolarHBondContact CD-O 3.41Å; R403-T433 PolarHBondContact NE-O 3.42Å; R403-I441 HydrophobicContact CB-CD1 3.89Å; R403-I441 HydrophobicContact CG-CD1 3.69Å
404L94.3Very high90.1Very high30 Ų3045.3 Ų45.316%0.15723%0.23CC..Hα-helixtrans-60.8-43.8173.9178.165.4000111.2E400 D401 L407 N408 L426 K427 A430E400-L404 PolarHBondContact O-N 3.42Å; D401-L404 WeakPolarHBondContact O-CA 3.37Å; D401-L404 WeakPolarHBondContact O-CB 3.41Å; D401-L404 PolarHBondContact O-N 3.26Å; D401-L404 VanDerWaalsContact O-N 3.1Å; L404-L407 PolarHBondContact O-N 3.23Å; L404-N408 WeakPolarHBondContact O-CB 3.26Å; L404-N408 PolarHBondContact O-N 3.43Å; L404-N408 PolarHBondContact O-ND2 3.43Å; L404-L426 HydrophobicContact CD1-CB 3.71Å; L404-K427 HydrophobicContact CD1-CG 3.99Å; L404-K427 HydrophobicContact CD2-CG 4.09Å; L404-A430 HydrophobicContact CB-CB 4.01Å
405Q92.4Very high90.1Very high39 Ų3947.8 Ų47.818%0.18224%0.242CC..Hα-helixtrans-61.9-45.3175.8-65.9178.410.500111.9D224 D401 G402 R403 N408 I409D224-Q405 PolarHBondContact OD2-NE2 3.23Å; D401-Q405 WeakPolarHBondContact O-CG 3.06Å; D401-Q405 PolarHBondContact O-N 3.21Å; D401-Q405 PolarHBondContact OD2-NE2 3.32Å; G402-Q405 PolarHBondContact O-N 3.19Å; R403-Q405 VanDerWaalsContact C-N 3.35Å; Q405-N408 WeakPolarHBondContact O-CB 3.41Å; Q405-N408 PolarHBondContact O-N 3.23Å; Q405-I409 VanDerWaalsContact O-CG1 3.31Å; Q405-I409 WeakPolarHBondContact O-CG1 3.31Å; Q405-I409 PolarHBondContact O-N 2.91Å
406I92.9Very high90Very high15 Ų1555.2 Ų55.28%0.07728%0.276CS..Hα-helixtrans-63-44.7177.4-66.1163.4000110.9P398 G402 R403 N408 I409 H410 I441P398-I406 HydrophobicContact CB-CD1 3.82Å; P398-I406 HydrophobicContact CG-CD1 3.86Å; G402-I406 WeakPolarHBondContact O-CD1 3.05Å; G402-I406 WeakPolarHBondContact O-CG1 3.21Å; G402-I406 PolarHBondContact O-N 3.2Å; R403-I406 PolarHBondContact O-N 3.22Å; I406-N408 VanDerWaalsContact C-N 3.35Å; I406-N408 PolarHBondContact O-N 3.31Å; I406-I409 PolarHBondContact O-N 3.24Å; I406-H410 PolarHBondContact O-CD2 2.85Å; I406-H410 PolarHBondContact O-N 3.21Å; I406-I441 HydrophobicContact CB-CD1 4.17Å; I406-I441 HydrophobicContact CD1-CD1 4.26Å; I406-I441 HydrophobicContact CG2-CB 3.94Å; I406-I441 HydrophobicContact CG2-CD1 4Å; I406-I441 HydrophobicContact CG2-CG2 3.75Å
407L94.3Very high90.3Very high0 Ų056.4 Ų56.40%029%0.289CS..Hα-helixtrans-56.5-49.1173.8-79.7166.6000110.8R403 L404 I409 H410 T411 L426 L429 A430 I441R403-L407 WeakPolarHBondContact O-CB 3.49Å; R403-L407 WeakPolarHBondContact O-CG 3.37Å; R403-L407 PolarHBondContact O-N 3.47Å; L404-L407 PolarHBondContact O-N 3.23Å; L407-I409 VanDerWaalsContact C-N 3.31Å; L407-I409 PolarHBondContact O-N 3.27Å; L407-H410 PolarHBondContact O-N 3.4Å; L407-T411 WeakPolarHBondContact O-CB 3.5Å; L407-T411 VanDerWaalsContact O-CG2 3.3Å; L407-T411 WeakPolarHBondContact O-CG2 3.5Å; L407-T411 PolarHBondContact O-N 3.27Å; L407-T411 PolarHBondContact O-OG1 2.74Å; L407-L426 HydrophobicContact CB-CD2 4.47Å; L407-L429 HydrophobicContact CD1-CB 3.86Å; L407-A430 HydrophobicContact CD1-CB 4.03Å; L407-I441 HydrophobicContact CD2-CG2 3.53Å; L407-I441 HydrophobicContact CG-CG2 3.7Å
408N93.1Very high90.4Very high67 Ų6756.8 Ų56.836%0.35830%0.302SS..Hα-helixtrans-55.4-45.1177-81.1-47.4000112L404 Q405 I406 T411 S412 L426L404-N408 WeakPolarHBondContact O-CB 3.26Å; L404-N408 PolarHBondContact O-N 3.43Å; L404-N408 PolarHBondContact O-ND2 3.43Å; Q405-N408 WeakPolarHBondContact O-CB 3.41Å; Q405-N408 PolarHBondContact O-N 3.23Å; I406-N408 VanDerWaalsContact C-N 3.35Å; I406-N408 PolarHBondContact O-N 3.31Å; N408-T411 PolarHBondContact O-N 3.47Å; N408-T411 PolarHBondContact O-OG1 3.23Å; N408-S412 WeakPolarHBondContact O-CA 3.48Å; N408-S412 VanDerWaalsContact O-CB 3.29Å; N408-S412 WeakPolarHBondContact O-CB 3.47Å; N408-S412 PolarHBondContact O-N 2.96Å; N408-L426 WeakPolarHBondContact OD1-CD1 3.38Å
409I91.4Very high90.6Very high44 Ų4458.7 Ų58.723%0.22631%0.309CS..Hα-helixtrans-60.8-49.5179.1-68.8161000110.8Q405 I406 L407 S412Q405-I409 VanDerWaalsContact O-CG1 3.31Å; Q405-I409 WeakPolarHBondContact O-CG1 3.31Å; Q405-I409 PolarHBondContact O-N 2.91Å; I406-I409 PolarHBondContact O-N 3.24Å; L407-I409 VanDerWaalsContact C-N 3.31Å; L407-I409 PolarHBondContact O-N 3.27Å; I409-S412 PolarHBondContact O-N 2.95Å
410H91.8Very high90.8Very high64 Ų6455.9 Ų55.930%0.29629%0.294SS..Hα-helixtrans-71.6-30.6-178.6-69.9-66.2000112.9I406 L407 E442 C445I406-H410 PolarHBondContact O-CD2 2.85Å; I406-H410 PolarHBondContact O-N 3.21Å; L407-H410 PolarHBondContact O-N 3.4Å; H410-E442 IonicContact CE1-OE2 3.31Å; H410-C445 HydrophobicContact CB-CB 4.33Å
411T91.6Very high91Very high0 Ų051.3 Ų51.30%028%0.276CS..Hα-helixtrans-84.1-16.7176.5630000113.9L407 N408 K413 M414 Q415 L426L407-T411 WeakPolarHBondContact O-CB 3.5Å; L407-T411 VanDerWaalsContact O-CG2 3.3Å; L407-T411 WeakPolarHBondContact O-CG2 3.5Å; L407-T411 PolarHBondContact O-N 3.27Å; L407-T411 PolarHBondContact O-OG1 2.74Å; N408-T411 PolarHBondContact O-N 3.47Å; N408-T411 PolarHBondContact O-OG1 3.23Å; T411-K413 VanDerWaalsContact C-N 3.3Å; T411-K413 PolarHBondContact O-N 3.02Å; T411-M414 WeakPolarHBondContact O-CA 3.26Å; T411-M414 WeakPolarHBondContact O-CB 3.36Å; T411-M414 PolarHBondContact O-N 2.75Å; T411-Q415 WeakPolarHBondContact O-CG 3.42Å; T411-Q415 PolarHBondContact O-N 2.75Å; T411-L426 HydrophobicContact CG2-CD2 3.84Å; T411-L426 WeakPolarHBondContact OG1-CD1 3.27Å
412S90.6Very high90.9Very high41 Ų4159.3 Ų59.329%0.28730%0.299SS..Hα-helixtrans-54.9-44-174.5-175.40000112.5N408 I409 M414 Q415 Q416N408-S412 WeakPolarHBondContact O-CA 3.48Å; N408-S412 VanDerWaalsContact O-CB 3.29Å; N408-S412 WeakPolarHBondContact O-CB 3.47Å; N408-S412 PolarHBondContact O-N 2.96Å; I409-S412 PolarHBondContact O-N 2.95Å; S412-M414 PolarHBondContact O-N 3.08Å; S412-Q415 PolarHBondContact O-N 2.93Å; S412-Q416 WeakPolarHBondContact O-CB 3.41Å; S412-Q416 VanDerWaalsContact O-CG 3.26Å; S412-Q416 WeakPolarHBondContact O-CG 3.27Å; S412-Q416 PolarHBondContact O-N 2.81Å; S412-Q416 PolarHBondContact OG-NE2 3.23Å
413K89.4Confident91Very high170 Ų17063 Ų6374%0.73932%0.319SS*.Hα-helixtrans-65-38.7176.4-68-176179.5179.40112.7T411 A417T411-K413 VanDerWaalsContact C-N 3.3Å; T411-K413 PolarHBondContact O-N 3.02Å; K413-A417 WeakPolarHBondContact O-CB 3.44Å; K413-A417 PolarHBondContact O-N 3.27Å; K413-A417 VanDerWaalsContact O-N 3.08Å
414M90.3Very high91Very high43 Ų4363 Ų6321%0.21232%0.32CS..Hα-helixtrans-68.2-38.1177.4-60.7178.2-17800111.3T411 S412 G418 K419 L420 A449T411-M414 WeakPolarHBondContact O-CA 3.26Å; T411-M414 WeakPolarHBondContact O-CB 3.36Å; T411-M414 PolarHBondContact O-N 2.75Å; S412-M414 PolarHBondContact O-N 3.08Å; M414-G418 PolarHBondContact O-N 3.19Å; M414-K419 PolarHBondContact O-N 2.97Å; M414-L420 HydrophobicContact CB-CB 4.49Å; M414-A449 HydrophobicContact CE-CB 3.86Å
415Q88.8Confident91Very high91 Ų9165.4 Ų65.443%0.42533%0.333SS..Hα-helixtrans-66.8-46.7175.4-71.6175.8-5.400111.7T411 S412 A417 G418 L420T411-Q415 WeakPolarHBondContact O-CG 3.42Å; T411-Q415 PolarHBondContact O-N 2.75Å; S412-Q415 PolarHBondContact O-N 2.93Å; Q415-A417 VanDerWaalsContact C-N 3.25Å; Q415-A417 PolarHBondContact O-N 3.42Å; Q415-G418 PolarHBondContact O-N 3.36Å; Q415-L420 HydrophobicContact CG-CB 4.11Å; Q415-L420 HydrophobicContact CG-CD2 3.52Å; Q415-L420 HydrophobicContact CG-CG 4.47Å
416Q89.3Confident91Very high155 Ų15564.2 Ų64.272%0.72433%0.328SS*.Hα-helixtrans-60.4-35.7176.7-73.2172.110.400112.3S412 G418S412-Q416 WeakPolarHBondContact O-CB 3.41Å; S412-Q416 VanDerWaalsContact O-CG 3.26Å; S412-Q416 WeakPolarHBondContact O-CG 3.27Å; S412-Q416 PolarHBondContact O-N 2.81Å; S412-Q416 PolarHBondContact OG-NE2 3.23Å; Q416-G418 PolarHBondContact O-N 3.42Å
417A88.4Confident91.1Very high64 Ų6470.3 Ų70.353%0.52935%0.354SS..THydrogen-bonded Turntrans-78.5-3174.700000114.1K413 Q415 K419K413-A417 WeakPolarHBondContact O-CB 3.44Å; K413-A417 PolarHBondContact O-N 3.27Å; K413-A417 VanDerWaalsContact O-N 3.08Å; Q415-A417 VanDerWaalsContact C-N 3.25Å; Q415-A417 PolarHBondContact O-N 3.42Å; A417-K419 HydrophobicContact CB-CG 3.97Å; A417-K419 PolarHBondContact O-N 2.71Å
418G87.4Confident91.1Very high50 Ų5072.9 Ų72.952%0.51537%0.366SS..THydrogen-bonded Turntrans66.622.6-176.500000114.3M414 Q415 Q416 L474M414-G418 PolarHBondContact O-N 3.19Å; Q415-G418 PolarHBondContact O-N 3.36Å; Q416-G418 PolarHBondContact O-N 3.42Å; G418-L474 WeakPolarHBondContact O-CD2 3.4Å
419K89.1Confident91.1Very high53 Ų5369.8 Ų69.823%0.2335%0.35CS..  trans-99.70.9-175-62-66.8174.9178.80114M414 A417 F470 D471 L473 L474 V475M414-K419 PolarHBondContact O-N 2.97Å; A417-K419 HydrophobicContact CB-CG 3.97Å; A417-K419 PolarHBondContact O-N 2.71Å; K419-F470 PolarHBondContact NZ-O 3.18Å; K419-D471 PolarHBondContact NZ-O 2.96Å; K419-L473 HydrophobicContact CD-CD2 4.36Å; K419-L473 WeakPolarHBondContact CD-O 3.31Å; K419-L474 WeakPolarHBondContact O-CA 3.49Å; K419-V475 PolarHBondContact O-N 3.09Å
420L91Very high91.2Very high26 Ų2667.8 Ų67.814%0.13634%0.339CS..BIsolated β-bridgetrans-98.3124.9173.4-166.971.3000109.5M414 Q415 V424 V475 F480M414-L420 HydrophobicContact CB-CB 4.49Å; Q415-L420 HydrophobicContact CG-CB 4.11Å; Q415-L420 HydrophobicContact CG-CD2 3.52Å; Q415-L420 HydrophobicContact CG-CG 4.47Å; L420-V424 HydrophobicContact CD1-CB 4.21Å; L420-V424 HydrophobicContact CD1-CG1 4.19Å; L420-V424 HydrophobicContact CD1-CG2 3.98Å; L420-V424 HydrophobicContact CD2-CB 4.43Å; L420-V424 HydrophobicContact CD2-CG1 4.47Å; L420-V424 HydrophobicContact CG-CB 4.21Å; L420-V424 HydrophobicContact CG-CG2 4.28Å; L420-V475 HydrophobicContact CD1-CB 4.39Å; L420-F480 HydrophobicContact CD1-CE2 4Å; L420-F480 HydrophobicContact CD1-CZ 4.37Å
421A90.8Very high91Very high16 Ų1666.6 Ų66.613%0.13234%0.341CS..  trans-70.3151.6177.500000111.5D423 V424 L474 V475 K476A421-D423 WeakPolarHBondContact CB-OD1 3.4Å; A421-D423 PolarHBondContact O-N 2.84Å; A421-V424 PolarHBondContact O-N 3.19Å; A421-L474 HydrophobicContact CB-CB 4.39Å; A421-V475 WeakPolarHBondContact CB-O 3.48Å; A421-V475 PolarHBondContact N-O 3.41Å; A421-K476 HydrophobicContact CB-CG 4.16Å
422R89.7Confident90.9Very high259 Ų25971.4 Ų71.498%0.97736%0.362SS*.THydrogen-bonded Turntrans-71-12.6-176.5-66-176.1179.2178.1-0.3113.9V424R422-V424 VanDerWaalsContact C-N 3.29Å
423D92.7Very high90.7Very high78 Ų7869.5 Ų69.542%0.41735%0.348SS..THydrogen-bonded Turntrans-79.2-10.8177.166.5-32000112.9A421 D425 R477A421-D423 WeakPolarHBondContact CB-OD1 3.4Å; A421-D423 PolarHBondContact O-N 2.84Å; D423-D425 PolarHBondContact O-N 3.26Å; D423-R477 HydrophobicContact CB-CB 4.36Å; D423-R477 VanDerWaalsContact OD2-CB 3.27Å; D423-R477 WeakPolarHBondContact OD2-CB 3.5Å; D423-R477 PolarHBondContact OD2-N 3.01Å
424V92.1Very high90.2Very high18 Ų1866 Ų6611%0.10933%0.333CS..  trans-80.6105.2179.5-176.40000110.3L420 A421 R422 L426 L429 R477 F480L420-V424 HydrophobicContact CD1-CB 4.21Å; L420-V424 HydrophobicContact CD1-CG1 4.19Å; L420-V424 HydrophobicContact CD1-CG2 3.98Å; L420-V424 HydrophobicContact CD2-CB 4.43Å; L420-V424 HydrophobicContact CD2-CG1 4.47Å; L420-V424 HydrophobicContact CG-CB 4.21Å; L420-V424 HydrophobicContact CG-CG2 4.28Å; A421-V424 PolarHBondContact O-N 3.19Å; R422-V424 VanDerWaalsContact C-N 3.29Å; V424-L426 HydrophobicContact CG1-CD2 4.06Å; V424-L429 HydrophobicContact CG1-CD1 3.91Å; V424-R477 HydrophobicContact CG2-CB 4.48Å; V424-F480 HydrophobicContact CG1-CD2 4.06Å; V424-F480 HydrophobicContact CG1-CE2 3.86Å; V424-F480 HydrophobicContact CG2-CD2 4.2Å; V424-F480 HydrophobicContact CG2-CE2 4.14Å
425D93.3Very high89.7Confident80 Ų8064.5 Ų64.543%0.42833%0.326SS..  trans-92.6111.1168.5-1766.5000110.9D423 K427 E428 L429D423-D425 PolarHBondContact O-N 3.26Å; D425-K427 PolarHBondContact O-N 3.44Å; D425-K427 WeakPolarHBondContact OD1-CB 3.46Å; D425-K427 PolarHBondContact OD1-N 3.08Å; D425-E428 HydrophobicContact CB-CB 3.98Å; D425-E428 WeakPolarHBondContact O-CB 3.46Å; D425-E428 PolarHBondContact O-N 3.13Å; D425-L429 PolarHBondContact O-N 3.41Å; D425-L429 VanDerWaalsContact O-N 3.16Å
426L93.6Very high89.6Confident15 Ų1560.5 Ų60.58%0.07931%0.307CS..Hα-helixtrans-66.3-25.5178.9-59-179.8000112.6L404 L407 N408 T411 V424 L429 A430L404-L426 HydrophobicContact CD1-CB 3.71Å; L407-L426 HydrophobicContact CB-CD2 4.47Å; N408-L426 WeakPolarHBondContact OD1-CD1 3.38Å; T411-L426 HydrophobicContact CG2-CD2 3.84Å; T411-L426 WeakPolarHBondContact OG1-CD1 3.27Å; V424-L426 HydrophobicContact CG1-CD2 4.06Å; L426-L429 HydrophobicContact CD2-CD1 4.2Å; L426-L429 PolarHBondContact O-N 2.84Å; L426-A430 WeakPolarHBondContact O-CB 3.4Å; L426-A430 PolarHBondContact O-N 3.13Å
427K94.3Very high89.6Confident143 Ų14353.3 Ų53.362%0.62227%0.274SS*.Hα-helixtrans-70.4-42.1175.1-66.2-177.4177.4-179.10111L404 D425 L429 A430 A431L404-K427 HydrophobicContact CD1-CG 3.99Å; L404-K427 HydrophobicContact CD2-CG 4.09Å; D425-K427 PolarHBondContact O-N 3.44Å; D425-K427 WeakPolarHBondContact OD1-CB 3.46Å; D425-K427 PolarHBondContact OD1-N 3.08Å; K427-L429 VanDerWaalsContact C-N 3.3Å; K427-L429 PolarHBondContact O-N 2.69Å; K427-A430 PolarHBondContact O-N 3.29Å; K427-A431 PolarHBondContact O-N 3.48Å
428E94.1Very high89.7Confident54 Ų5451 Ų5125%0.25226%0.256SS..Hα-helixtrans-58.3-44.7173.1-168.9-167.1168.600110.9D425 A431 K432 R477D425-E428 HydrophobicContact CB-CB 3.98Å; D425-E428 WeakPolarHBondContact O-CB 3.46Å; D425-E428 PolarHBondContact O-N 3.13Å; E428-A431 PolarHBondContact O-N 3.03Å; E428-K432 HydrophobicContact CG-CD 4.35Å; E428-K432 WeakPolarHBondContact O-CG 3.35Å; E428-K432 PolarHBondContact O-N 3.11Å; E428-K432 VanDerWaalsContact O-N 3.07Å; E428-K432 WeakPolarHBondContact OE1-CE 3.18Å; E428-R477 IonicContact OE1-CZ 2.94Å; E428-R477 IonicContact OE1-NE 2.73Å; E428-R477 PolarHBondContact OE1-NE 3.05Å; E428-R477 IonicContact OE1-NH2 3.49Å; E428-R477 PolarHBondContact OE1-NH2 3.47Å; E428-R477 IonicContact OE2-CZ 3.68Å; E428-R477 IonicContact OE2-NE 3.72Å; E428-R477 PolarHBondContact OE2-NE 2.72Å; E428-R477 IonicContact OE2-NH2 2.82Å
429L93.4Very high89.9Confident2 Ų250.9 Ų50.91%0.0125%0.25CS..Hα-helixtrans-64.5-42177.2-65.2179.5000112.3L407 V424 D425 L426 K427 A431 K432 T433 F480L407-L429 HydrophobicContact CD1-CB 3.86Å; V424-L429 HydrophobicContact CG1-CD1 3.91Å; D425-L429 PolarHBondContact O-N 3.41Å; D425-L429 VanDerWaalsContact O-N 3.16Å; L426-L429 HydrophobicContact CD2-CD1 4.2Å; L426-L429 PolarHBondContact O-N 2.84Å; K427-L429 VanDerWaalsContact C-N 3.3Å; K427-L429 PolarHBondContact O-N 2.69Å; L429-A431 VanDerWaalsContact C-N 3.29Å; L429-A431 PolarHBondContact O-N 3.49Å; L429-K432 PolarHBondContact O-N 3.33Å; L429-T433 WeakPolarHBondContact O-CB 3.4Å; L429-T433 VanDerWaalsContact O-CG2 3.27Å; L429-T433 WeakPolarHBondContact O-CG2 3.4Å; L429-T433 PolarHBondContact O-N 3.08Å; L429-T433 PolarHBondContact O-OG1 3.35Å; L429-F480 HydrophobicContact CD1-CB 4.21Å; L429-F480 HydrophobicContact CD1-CD1 3.69Å; L429-F480 HydrophobicContact CD1-CD2 4.19Å; L429-F480 HydrophobicContact CD1-CE1 4.04Å; L429-F480 HydrophobicContact CD1-CE2 4.5Å; L429-F480 HydrophobicContact CD1-CG 3.77Å; L429-F480 HydrophobicContact CD1-CZ 4.43Å; L429-F480 HydrophobicContact CD2-CB 3.78Å; L429-F480 HydrophobicContact CD2-CD1 4.49Å; L429-F480 HydrophobicContact CD2-CG 4.27Å
430A92.5Very high90Very high1 Ų149.7 Ų49.71%0.00825%0.246CC..Hα-helixtrans-61.1-37.8176.700000112.4E400 R403 L404 L407 L426 K427 T433E400-A430 HydrophobicContact CG-CB 4.38Å; R403-A430 HydrophobicContact CB-CB 4.32Å; R403-A430 PolarHBondContact NE-O 3.29Å; R403-A430 PolarHBondContact NH2-O 3.44Å; L404-A430 HydrophobicContact CB-CB 4.01Å; L407-A430 HydrophobicContact CD1-CB 4.03Å; L426-A430 WeakPolarHBondContact O-CB 3.4Å; L426-A430 PolarHBondContact O-N 3.13Å; K427-A430 PolarHBondContact O-N 3.29Å; A430-T433 WeakPolarHBondContact CA-OG1 3.45Å; A430-T433 PolarHBondContact O-OG1 3Å
431A89.5Confident90.1Very high39 Ų3948.4 Ų48.432%0.32224%0.239SC..Hα-helixtrans-70-34.8176.300000112.9K427 E428 L429 K434K427-A431 PolarHBondContact O-N 3.48Å; E428-A431 PolarHBondContact O-N 3.03Å; L429-A431 VanDerWaalsContact C-N 3.29Å; L429-A431 PolarHBondContact O-N 3.49Å; A431-K434 WeakPolarHBondContact O-CG 3.39Å
432K87.6Confident90.2Very high102 Ų10251.4 Ų51.444%0.44325%0.25SS..Hα-helixtrans-78.8-30.2178-73.9176.8177.2-74.60113.6E428 L429 K434 L481 L484E428-K432 HydrophobicContact CG-CD 4.35Å; E428-K432 WeakPolarHBondContact O-CG 3.35Å; E428-K432 PolarHBondContact O-N 3.11Å; E428-K432 VanDerWaalsContact O-N 3.07Å; E428-K432 WeakPolarHBondContact OE1-CE 3.18Å; L429-K432 PolarHBondContact O-N 3.33Å; K432-K434 PolarHBondContact O-N 2.87Å; K432-L481 HydrophobicContact CD-CD2 3.97Å; K432-L484 HydrophobicContact CB-CD1 4.24Å
433T86.8Confident90.4Very high0 Ų039.8 Ų39.80%021%0.211CC..SBendtrans-83.645-176.750.10000113.6R403 L429 A430 N435 F436 L444 L484R403-T433 WeakPolarHBondContact CD-O 3.41Å; R403-T433 PolarHBondContact NE-O 3.42Å; L429-T433 WeakPolarHBondContact O-CB 3.4Å; L429-T433 VanDerWaalsContact O-CG2 3.27Å; L429-T433 WeakPolarHBondContact O-CG2 3.4Å; L429-T433 PolarHBondContact O-N 3.08Å; L429-T433 PolarHBondContact O-OG1 3.35Å; A430-T433 WeakPolarHBondContact CA-OG1 3.45Å; A430-T433 PolarHBondContact O-OG1 3Å; T433-N435 PolarHBondContact O-N 3.03Å; T433-F436 HydrophobicContact CG2-CD1 4.09Å; T433-F436 HydrophobicContact CG2-CD2 4.49Å; T433-F436 HydrophobicContact CG2-CE1 4.28Å; T433-F436 HydrophobicContact CG2-CG 4.21Å; T433-F436 WeakPolarHBondContact O-CB 3.42Å; T433-F436 PolarHBondContact O-N 3.44Å; T433-F436 VanDerWaalsContact O-N 3.11Å; T433-L444 HydrophobicContact CG2-CD2 3.47Å; T433-L444 VanDerWaalsContact CG2-CD2 3.47Å; T433-L484 HydrophobicContact CG2-CD1 3.82Å
434K80.2Confident90.5Very high98 Ų9836 Ų3643%0.42619%0.191SC..THydrogen-bonded Turntrans-57.9133.9-178.6-64-178.1179.81770111.1A431 K432 F436 G563A431-K434 WeakPolarHBondContact O-CG 3.39Å; K432-K434 PolarHBondContact O-N 2.87Å; K434-F436 PolarHBondContact O-N 2.77Å; K434-G563 PolarHBondContact NZ-O 3.07Å
435N79.4Confident90.6Very high11 Ų1135.4 Ų35.46%0.05919%0.187CC..THydrogen-bonded Turntrans61.56-175-66.3-17.7000117.1L397 T433 S437 F492 P565L397-N435 HydrophobicContact CD1-CB 4.07Å; T433-N435 PolarHBondContact O-N 3.03Å; N435-S437 PolarHBondContact O-N 2.9Å; N435-F492 WeakPolarHBondContact CB-O 3.23Å; N435-F492 PolarHBondContact ND2-O 3.26Å; N435-P565 PolarHBondContact ND2-O 2.92Å; N435-P565 WeakPolarHBondContact OD1-CB 3.43Å
436F86.5Confident90.6Very high7 Ų738.8 Ų38.83%0.03119%0.194CC..  trans-62.6132.1178-82.8-132.4000110.2P398 T433 K434 E440 I441 V488 P490P398-F436 WeakPolarHBondContact CD-O 3.4Å; P398-F436 VanDerWaalsContact CG-O 3.3Å; P398-F436 WeakPolarHBondContact CG-O 3.32Å; T433-F436 HydrophobicContact CG2-CD1 4.09Å; T433-F436 HydrophobicContact CG2-CD2 4.49Å; T433-F436 HydrophobicContact CG2-CE1 4.28Å; T433-F436 HydrophobicContact CG2-CG 4.21Å; T433-F436 WeakPolarHBondContact O-CB 3.42Å; T433-F436 PolarHBondContact O-N 3.44Å; T433-F436 VanDerWaalsContact O-N 3.11Å; K434-F436 PolarHBondContact O-N 2.77Å; F436-E440 VanDerWaalsContact CA-OE2 3.22Å; F436-E440 WeakPolarHBondContact CA-OE2 3.34Å; F436-E440 HydrophobicContact CB-CB 4.17Å; F436-E440 HydrophobicContact CD1-CB 3.76Å; F436-E440 HydrophobicContact CE1-CB 4.48Å; F436-E440 HydrophobicContact CG-CB 4.18Å; F436-I441 HydrophobicContact CB-CD1 4.34Å; F436-I441 HydrophobicContact CB-CG1 3.71Å; F436-I441 HydrophobicContact CD1-CG1 4.49Å; F436-V488 HydrophobicContact CE1-CB 4.45Å; F436-V488 HydrophobicContact CE1-CG1 3.78Å; F436-P490 HydrophobicContact CD2-CB 3.84Å; F436-P490 HydrophobicContact CD2-CG 4.34Å; F436-P490 HydrophobicContact CE2-CB 3.79Å; F436-P490 HydrophobicContact CE2-CG 3.85Å
437S88.5Confident90.6Very high4 Ų438.8 Ų38.83%0.02820%0.196CC..  trans-74.5163.8170.9980000110.4G263 N435 A439 E440 I441G263-S437 WeakPolarHBondContact O-CB 3.4Å; G263-S437 PolarHBondContact O-OG 3.41Å; N435-S437 PolarHBondContact O-N 2.9Å; S437-A439 VanDerWaalsContact C-N 3.26Å; S437-A439 PolarHBondContact O-N 3.37Å; S437-A439 PolarHBondContact OG-N 3.26Å; S437-E440 PolarHBondContact N-OE2 2.87Å; S437-E440 PolarHBondContact O-N 2.94Å; S437-E440 PolarHBondContact OG-N 2.97Å; S437-I441 WeakPolarHBondContact O-CG1 3.45Å; S437-I441 PolarHBondContact O-N 3.02Å
438G90.6Very high90.6Very high14 Ų1432 Ų3214%0.14417%0.166CC..Hα-helixtrans-55.6-40.8176.500000113.2G263 I441 E442G263-G438 PolarHBondContact O-N 2.75Å; G438-I441 PolarHBondContact O-N 3.4Å; G438-E442 PolarHBondContact O-N 3.3Å
439A91.4Very high90.5Very high49 Ų4930.3 Ų30.341%0.40516%0.162SC..Hα-helixtrans-65.3-35174.400000113.6G263 S437 G443G263-A439 PolarHBondContact O-N 2.77Å; S437-A439 VanDerWaalsContact C-N 3.26Å; S437-A439 PolarHBondContact O-N 3.37Å; S437-A439 PolarHBondContact OG-N 3.26Å; A439-G443 PolarHBondContact O-N 2.72Å
440E91.9Very high90.4Very high27 Ų2736.8 Ų36.813%0.12619%0.191CC..Hα-helixtrans-72.2-37.3176.6-66.6167.8169.500111.3F436 S437 G443 L444 V488 A491F436-E440 VanDerWaalsContact CA-OE2 3.22Å; F436-E440 WeakPolarHBondContact CA-OE2 3.34Å; F436-E440 HydrophobicContact CB-CB 4.17Å; F436-E440 HydrophobicContact CD1-CB 3.76Å; F436-E440 HydrophobicContact CE1-CB 4.48Å; F436-E440 HydrophobicContact CG-CB 4.18Å; S437-E440 PolarHBondContact N-OE2 2.87Å; S437-E440 PolarHBondContact O-N 2.94Å; S437-E440 PolarHBondContact OG-N 2.97Å; E440-G443 CarbonylContact O-C 3.59Å; E440-G443 WeakPolarHBondContact O-CA 3.06Å; E440-G443 PolarHBondContact O-N 3.39Å; E440-L444 PolarHBondContact O-N 3.03Å; E440-V488 HydrophobicContact CB-CG1 4.48Å; E440-A491 WeakPolarHBondContact OE1-CB 3.27Å; E440-A491 PolarHBondContact OE1-N 3.01Å
441I93.4Very high90.2Very high0 Ų037.5 Ų37.50%020%0.195CC..Hα-helixtrans-64.9-43.7173.1-63171.6000110.7R403 I406 L407 F436 S437 G438 G443 L444 C445R403-I441 HydrophobicContact CB-CD1 3.89Å; R403-I441 HydrophobicContact CG-CD1 3.69Å; I406-I441 HydrophobicContact CB-CD1 4.17Å; I406-I441 HydrophobicContact CD1-CD1 4.26Å; I406-I441 HydrophobicContact CG2-CB 3.94Å; I406-I441 HydrophobicContact CG2-CD1 4Å; I406-I441 HydrophobicContact CG2-CG2 3.75Å; L407-I441 HydrophobicContact CD2-CG2 3.53Å; L407-I441 HydrophobicContact CG-CG2 3.7Å; F436-I441 HydrophobicContact CB-CD1 4.34Å; F436-I441 HydrophobicContact CB-CG1 3.71Å; F436-I441 HydrophobicContact CD1-CG1 4.49Å; S437-I441 WeakPolarHBondContact O-CG1 3.45Å; S437-I441 PolarHBondContact O-N 3.02Å; G438-I441 PolarHBondContact O-N 3.4Å; I441-G443 VanDerWaalsContact C-N 3.28Å; I441-G443 PolarHBondContact O-N 3.35Å; I441-L444 WeakPolarHBondContact O-CB 3.47Å; I441-L444 PolarHBondContact O-N 3.27Å; I441-C445 PolarHBondContact O-N 3.22Å; I441-C445 PolarHBondContact O-SG 2.98Å
442E93.4Very high90.2Very high78 Ų7836 Ų3636%0.36418%0.182SC..Hα-helixtrans-58.3-44.6172-172.6-160.4131.700110.9H410 G438 L444 C445 R446H410-E442 IonicContact CE1-OE2 3.31Å; G438-E442 PolarHBondContact O-N 3.3Å; E442-L444 VanDerWaalsContact C-N 3.32Å; E442-L444 PolarHBondContact O-N 2.92Å; E442-C445 PolarHBondContact O-N 3.43Å; E442-R446 WeakPolarHBondContact O-CB 3.49Å; E442-R446 PolarHBondContact O-N 3.25Å; E442-R446 IonicContact OE1-CZ 3.93Å; E442-R446 IonicContact OE1-NE 2.79Å; E442-R446 IonicContact OE1-NH2 3.6Å; E442-R446 PolarHBondContact OE1-NH2 2.94Å
443G93.7Very high90.1Very high15 Ų1535.2 Ų35.216%0.15518%0.181CC..Hα-helixtrans-56.4-44.5174.600000112.3A439 E440 I441 R446 A447A439-G443 PolarHBondContact O-N 2.72Å; E440-G443 CarbonylContact O-C 3.59Å; E440-G443 WeakPolarHBondContact O-CA 3.06Å; E440-G443 PolarHBondContact O-N 3.39Å; I441-G443 VanDerWaalsContact C-N 3.28Å; I441-G443 PolarHBondContact O-N 3.35Å; G443-R446 WeakPolarHBondContact O-CB 3.4Å; G443-R446 PolarHBondContact O-N 3.46Å; G443-A447 WeakPolarHBondContact O-CB 3.45Å; G443-A447 PolarHBondContact O-N 2.84Å
444L94.2Very high90Very high0 Ų042.6 Ų42.60%021%0.21CC..Hα-helixtrans-61.6-48.3177.1177.467.4000111.6T433 E440 I441 E442 R446 A447 A448 F480 A483 L484T433-L444 HydrophobicContact CG2-CD2 3.47Å; T433-L444 VanDerWaalsContact CG2-CD2 3.47Å; E440-L444 PolarHBondContact O-N 3.03Å; I441-L444 WeakPolarHBondContact O-CB 3.47Å; I441-L444 PolarHBondContact O-N 3.27Å; E442-L444 VanDerWaalsContact C-N 3.32Å; E442-L444 PolarHBondContact O-N 2.92Å; L444-R446 VanDerWaalsContact C-N 3.27Å; L444-R446 PolarHBondContact O-N 3.07Å; L444-A447 PolarHBondContact O-N 3.26Å; L444-A448 WeakPolarHBondContact O-CB 3.41Å; L444-A448 PolarHBondContact O-N 2.88Å; L444-F480 HydrophobicContact CG-CD1 4.18Å; L444-A483 HydrophobicContact CD1-CB 3.82Å; L444-L484 HydrophobicContact CD1-CB 4.08Å
445C94.2Very high90Very high4 Ų443.2 Ų43.23%0.02721%0.214CC..Hα-helixtrans-60.6-39.1176.2-67.90000111.9H410 I441 E442 A449H410-C445 HydrophobicContact CB-CB 4.33Å; I441-C445 PolarHBondContact O-N 3.22Å; I441-C445 PolarHBondContact O-SG 2.98Å; E442-C445 PolarHBondContact O-N 3.43Å; C445-A449 WeakPolarHBondContact O-CB 3.3Å; C445-A449 PolarHBondContact O-N 3.16Å; C445-A449 VanDerWaalsContact O-N 3.09Å
446R94.3Very high89.9Confident151 Ų15146 Ų4657%0.5723%0.228SC*.Hα-helixtrans-68.3-43.8178.4-163.3-166.7-44.41554.8111.9E442 G443 L444 A449 F450E442-R446 WeakPolarHBondContact O-CB 3.49Å; E442-R446 PolarHBondContact O-N 3.25Å; E442-R446 IonicContact OE1-CZ 3.93Å; E442-R446 IonicContact OE1-NE 2.79Å; E442-R446 IonicContact OE1-NH2 3.6Å; E442-R446 PolarHBondContact OE1-NH2 2.94Å; G443-R446 WeakPolarHBondContact O-CB 3.4Å; G443-R446 PolarHBondContact O-N 3.46Å; L444-R446 VanDerWaalsContact C-N 3.27Å; L444-R446 PolarHBondContact O-N 3.07Å; R446-A449 PolarHBondContact O-N 2.97Å; R446-F450 WeakPolarHBondContact O-CB 3.48Å; R446-F450 PolarHBondContact O-N 3.32Å
447A93.6Very high89.2Confident15 Ų1550.3 Ų50.312%0.12425%0.251CS..Hα-helixtrans-63.8-45.917700000111G443 L444 A449 F450 T451 A483 D487 V488G443-A447 WeakPolarHBondContact O-CB 3.45Å; G443-A447 PolarHBondContact O-N 2.84Å; L444-A447 PolarHBondContact O-N 3.26Å; A447-A449 VanDerWaalsContact C-N 3.34Å; A447-A449 PolarHBondContact O-N 2.93Å; A447-F450 PolarHBondContact O-N 3.33Å; A447-F450 VanDerWaalsContact O-N 3.13Å; A447-T451 WeakPolarHBondContact O-CB 2.98Å; A447-T451 PolarHBondContact O-N 3.31Å; A447-T451 PolarHBondContact O-OG1 2.86Å; A447-T451 VanDerWaalsContact O-OG1 3.06Å; A447-A483 HydrophobicContact CB-CB 3.72Å; A447-D487 HydrophobicContact CB-CB 3.97Å; A447-V488 HydrophobicContact CB-CG2 3.99Å
448A93.4Very high87.8Confident0 Ų053.6 Ų53.60%027%0.274CS..Hα-helixtrans-58.6-43.9175.400000112.3L444 T451 S452 V475 D479 F480L444-A448 WeakPolarHBondContact O-CB 3.41Å; L444-A448 PolarHBondContact O-N 2.88Å; A448-T451 PolarHBondContact O-N 3.5Å; A448-S452 PolarHBondContact O-N 3.26Å; A448-V475 HydrophobicContact CB-CG1 4.01Å; A448-D479 HydrophobicContact CB-CB 4.35Å; A448-F480 HydrophobicContact CB-CB 4.45Å; A448-F480 HydrophobicContact CB-CD1 3.62Å; A448-F480 HydrophobicContact CB-CD2 4.03Å; A448-F480 HydrophobicContact CB-CE1 3.75Å; A448-F480 HydrophobicContact CB-CE2 4.14Å; A448-F480 HydrophobicContact CB-CG 3.77Å; A448-F480 HydrophobicContact CB-CZ 4.01Å
449A92.3Very high86.5Confident20 Ų2059.3 Ų59.317%0.16531%0.309CS..Hα-helixtrans-63.4-42.3175.200000112.1M414 C445 R446 A447 S452 M453 V475M414-A449 HydrophobicContact CE-CB 3.86Å; C445-A449 WeakPolarHBondContact O-CB 3.3Å; C445-A449 PolarHBondContact O-N 3.16Å; C445-A449 VanDerWaalsContact O-N 3.09Å; R446-A449 PolarHBondContact O-N 2.97Å; A447-A449 VanDerWaalsContact C-N 3.34Å; A447-A449 PolarHBondContact O-N 2.93Å; A449-S452 PolarHBondContact O-N 3.08Å; A449-M453 VanDerWaalsContact O-CG 3.32Å; A449-M453 WeakPolarHBondContact O-CG 3.48Å; A449-M453 PolarHBondContact O-N 3.34Å; A449-V475 HydrophobicContact CB-CG2 4.38Å
450F90.5Very high84.8Confident138 Ų13861 Ų6161%0.60532%0.317SS*.Hα-helixtrans-64.1-43.6177.3-176.3-97.8000112.1R446 A447 S452 M453 Y454R446-F450 WeakPolarHBondContact O-CB 3.48Å; R446-F450 PolarHBondContact O-N 3.32Å; A447-F450 PolarHBondContact O-N 3.33Å; A447-F450 VanDerWaalsContact O-N 3.13Å; F450-S452 VanDerWaalsContact C-N 3.34Å; F450-S452 PolarHBondContact O-N 3.26Å; F450-M453 WeakPolarHBondContact O-CB 3.49Å; F450-M453 PolarHBondContact O-N 3.35Å; F450-M453 VanDerWaalsContact O-N 3.15Å; F450-Y454 WeakPolarHBondContact O-CB 3.3Å; F450-Y454 PolarHBondContact O-N 3.29Å
451T89.7Confident83.1Confident16 Ų1663.2 Ų63.210%0.09835%0.347CS..Hα-helixtrans-60.3-43.2176.2-61.80000111.4A447 A448 M453 Y454 Q455 D479 Y482A447-T451 WeakPolarHBondContact O-CB 2.98Å; A447-T451 PolarHBondContact O-N 3.31Å; A447-T451 PolarHBondContact O-OG1 2.86Å; A447-T451 VanDerWaalsContact O-OG1 3.06Å; A448-T451 PolarHBondContact O-N 3.5Å; T451-M453 PolarHBondContact O-N 2.65Å; T451-Y454 PolarHBondContact O-N 3.44Å; T451-Q455 WeakPolarHBondContact O-CG 3.47Å; T451-Q455 PolarHBondContact O-N 2.93Å; T451-Q455 VanDerWaalsContact O-N 3.09Å; T451-D479 HydrophobicContact CG2-CB 4.45Å; T451-Y482 HydrophobicContact CG2-CD1 3.86Å; T451-Y482 HydrophobicContact CG2-CE1 4.38Å; T451-Y482 HydrophobicContact CG2-CG 4.4Å
452S88.4Confident81.1Confident6 Ų672 Ų724%0.04239%0.385CS..Hα-helixtrans-61.6-41.6173.8-173.40000112.2A448 A449 F450 L474A448-S452 PolarHBondContact O-N 3.26Å; A449-S452 PolarHBondContact O-N 3.08Å; F450-S452 VanDerWaalsContact C-N 3.34Å; F450-S452 PolarHBondContact O-N 3.26Å; S452-L474 PolarHBondContact OG-O 2.95Å
453M86.4Confident79.3Confident87 Ų8775.2 Ų75.243%0.42941%0.411SS..Hα-helixtrans-65.4-42.2174.7-70.7178.272.700112.3A449 F450 T451 Q455 L456 F470 L473A449-M453 VanDerWaalsContact O-CG 3.32Å; A449-M453 WeakPolarHBondContact O-CG 3.48Å; A449-M453 PolarHBondContact O-N 3.34Å; F450-M453 WeakPolarHBondContact O-CB 3.49Å; F450-M453 PolarHBondContact O-N 3.35Å; F450-M453 VanDerWaalsContact O-N 3.15Å; T451-M453 PolarHBondContact O-N 2.65Å; M453-Q455 VanDerWaalsContact C-N 3.32Å; M453-Q455 PolarHBondContact O-N 3.41Å; M453-L456 WeakPolarHBondContact O-CB 3.42Å; M453-L456 PolarHBondContact O-N 3.28Å; M453-L456 VanDerWaalsContact O-N 3.15Å; M453-F470 HydrophobicContact CE-CE1 4.3Å; M453-L473 HydrophobicContact CB-CD1 4.2Å; M453-L473 HydrophobicContact CG-CD1 3.49Å; M453-L473 VanDerWaalsContact CG-CD1 3.49Å
454Y84.7Confident77.4Confident154 Ų15483 Ų8360%0.60444%0.443SS*.Hα-helixtrans-64.5-36.4-178.2-171-98.6000112F450 T451 L456 I457F450-Y454 WeakPolarHBondContact O-CB 3.3Å; F450-Y454 PolarHBondContact O-N 3.29Å; T451-Y454 PolarHBondContact O-N 3.44Å; Y454-L456 PolarHBondContact O-N 3.45Å; Y454-L456 VanDerWaalsContact O-N 3.16Å; Y454-I457 PolarHBondContact O-N 2.81Å
455Q80.3Confident75.7Confident111 Ų11187.5 Ų87.552%0.51947%0.467SS..Hα-helixtrans-59.8-23.5175-72.717122.200113.7T451 M453 D479T451-Q455 WeakPolarHBondContact O-CG 3.47Å; T451-Q455 PolarHBondContact O-N 2.93Å; T451-Q455 VanDerWaalsContact O-N 3.09Å; M453-Q455 VanDerWaalsContact C-N 3.32Å; M453-Q455 PolarHBondContact O-N 3.41Å; Q455-D479 PolarHBondContact NE2-OD1 3.03Å
456L75.8Confident74.1Confident69 Ų6992 Ų9236%0.36149%0.49SS..THydrogen-bonded Turntrans-84.9-15.3177.4-62.5177.5000113.2M453 Y454 S458 A469 L473M453-L456 WeakPolarHBondContact O-CB 3.42Å; M453-L456 PolarHBondContact O-N 3.28Å; M453-L456 VanDerWaalsContact O-N 3.15Å; Y454-L456 PolarHBondContact O-N 3.45Å; Y454-L456 VanDerWaalsContact O-N 3.16Å; L456-S458 PolarHBondContact O-N 2.95Å; L456-A469 HydrophobicContact CD1-CB 4.36Å; L456-A469 WeakPolarHBondContact CD1-O 3.4Å; L456-A469 HydrophobicContact CD2-CB 4.43Å; L456-L473 HydrophobicContact CD1-CB 3.88Å; L456-L473 HydrophobicContact CD1-CD1 3.62Å; L456-L473 HydrophobicContact CD1-CG 4.22Å
457I71.9Confident72.8Confident98 Ų9889.4 Ų89.450%0.50349%0.493SS..SBendtrans-82105.6178.5-58.4175000107.6Y454 L465Y454-I457 PolarHBondContact O-N 2.81Å; I457-L465 HydrophobicContact CG1-CD2 4.25Å
458S60.8Low71.6Confident73 Ų7392.8 Ų92.851%0.5151%0.509SS..  trans-57.3138.8172.8-173.70000109.9L456 S460L456-S458 PolarHBondContact O-N 2.95Å; S458-S460 PolarHBondContact O-N 3.34Å; S458-S460 PolarHBondContact OG-N 3.21Å; S458-S460 PolarHBondContact OG-OG 3.21Å
459P63.1Low70.3Confident135 Ų13593.7 Ų93.788%0.87752%0.517SS*.SBendtrans-54.9-18.6172.2-23.331.7000113.4G461P459-G461 PolarHBondContact O-N 3.32Å
460S55.3Low69.3Low84 Ų8496.9 Ų96.959%0.58753%0.527SS*.SBendtrans-77.246.8-175.6-53.20000114S458 K462S458-S460 PolarHBondContact O-N 3.34Å; S458-S460 PolarHBondContact OG-N 3.21Å; S458-S460 PolarHBondContact OG-OG 3.21Å; S460-K462 PolarHBondContact O-N 3.11Å
461G56.7Low68.4Low73 Ų7396.3 Ų96.375%0.75353%0.53SS*.  trans446.3156.800000121.4P459 T463P459-G461 PolarHBondContact O-N 3.32Å; G461-T463 PolarHBondContact O-N 3.17Å
462K50.3Low67.7Low184 Ų184104.3 Ų104.380%0.856%0.559SS**  trans-86.4106.7-177.7-76.3-178179.7-179.40107S460 Q464S460-K462 PolarHBondContact O-N 3.11Å; K462-Q464 PolarHBondContact O-N 2.99Å
463T55.8Low67.5Low146 Ų146105.1 Ų105.190%0.89656%0.562SS**  trans-60.1-0.4179.5-30000114.7G461G461-T463 PolarHBondContact O-N 3.17Å
464Q54Low67.7Low179 Ų179104.4 Ų104.484%0.83656%0.56SS**  trans-96.4101.9175.6-69.2-176.83.900108.9K462 D466K462-Q464 PolarHBondContact O-N 2.99Å; Q464-D466 PolarHBondContact O-N 3.42Å
465L57.7Low68Low95 Ų9597.3 Ų97.350%0.49753%0.533SS..  trans-62128.2166.6-71.7146.2000108.5I457 P467 F470I457-L465 HydrophobicContact CG1-CD2 4.25Å; L465-P467 WeakPolarHBondContact O-CD 3.43Å; L465-F470 HydrophobicContact CB-CD2 4.47Å; L465-F470 HydrophobicContact CB-CE2 3.69Å; L465-F470 HydrophobicContact CD1-CE2 3.88Å; L465-F470 HydrophobicContact CD1-CZ 3.95Å; L465-F470 HydrophobicContact CD2-CE2 4.06Å; L465-F470 HydrophobicContact CD2-CZ 4.2Å; L465-F470 HydrophobicContact CG-CE2 4.08Å; L465-F470 HydrophobicContact CG-CZ 4.45Å
466D61.6Low68.6Low97 Ų9796.5 Ų96.552%0.51953%0.527SS..  trans-64.6119.6173.8-170.6-0.5000108.9Q464 D468 A469Q464-D466 PolarHBondContact O-N 3.42Å; D466-D468 PolarHBondContact O-N 2.96Å; D466-D468 PolarHBondContact OD1-N 2.97Å; D466-A469 HydrophobicContact CB-CB 4.09Å; D466-A469 VanDerWaalsContact O-CB 3.3Å; D466-A469 WeakPolarHBondContact O-CB 3.48Å; D466-A469 PolarHBondContact O-N 3.45Å
467P66.4Low69.4Low97 Ų9797.3 Ų97.363%0.6353%0.526SS*.Hα-helixtrans-54.4-35.1179.6-25.234.1000112.6L465 A469 F470L465-P467 WeakPolarHBondContact O-CD 3.43Å; P467-A469 VanDerWaalsContact C-N 3.25Å; P467-A469 PolarHBondContact O-N 3.4Å; P467-F470 PolarHBondContact O-N 2.82Å
468D68.5Low70.5Confident86 Ų8695.6 Ų95.646%0.4652%0.522SS..Hα-helixtrans-68.5-23.6179.2-74.50.5000112.8D466 D471 R472D466-D468 PolarHBondContact O-N 2.96Å; D466-D468 PolarHBondContact OD1-N 2.97Å; D468-D471 PolarHBondContact O-N 3.27Å; D468-R472 WeakPolarHBondContact O-CG 3.39Å; D468-R472 PolarHBondContact O-N 3.01Å
469A67.1Low72Confident19 Ų1992.2 Ų92.216%0.15750%0.498CS..Hα-helixtrans-70.8-35.8178.300000111.5L456 D466 P467 D471 R472 L473L456-A469 HydrophobicContact CD1-CB 4.36Å; L456-A469 WeakPolarHBondContact CD1-O 3.4Å; L456-A469 HydrophobicContact CD2-CB 4.43Å; D466-A469 HydrophobicContact CB-CB 4.09Å; D466-A469 VanDerWaalsContact O-CB 3.3Å; D466-A469 WeakPolarHBondContact O-CB 3.48Å; D466-A469 PolarHBondContact O-N 3.45Å; P467-A469 VanDerWaalsContact C-N 3.25Å; P467-A469 PolarHBondContact O-N 3.4Å; A469-D471 VanDerWaalsContact C-N 3.32Å; A469-D471 PolarHBondContact O-N 3.43Å; A469-R472 PolarHBondContact O-N 3.3Å; A469-L473 PolarHBondContact O-N 3.36Å; A469-L473 VanDerWaalsContact O-N 3.14Å
470F69.9Low73.5Confident87 Ų8785.8 Ų85.838%0.38246%0.457SS..Hα-helixtrans-65.2-36.5175.6-84.3-75.1000112.3K419 M453 L465 P467 R472 L473K419-F470 PolarHBondContact NZ-O 3.18Å; M453-F470 HydrophobicContact CE-CE1 4.3Å; L465-F470 HydrophobicContact CB-CD2 4.47Å; L465-F470 HydrophobicContact CB-CE2 3.69Å; L465-F470 HydrophobicContact CD1-CE2 3.88Å; L465-F470 HydrophobicContact CD1-CZ 3.95Å; L465-F470 HydrophobicContact CD2-CE2 4.06Å; L465-F470 HydrophobicContact CD2-CZ 4.2Å; L465-F470 HydrophobicContact CG-CE2 4.08Å; L465-F470 HydrophobicContact CG-CZ 4.45Å; P467-F470 PolarHBondContact O-N 2.82Å; F470-R472 VanDerWaalsContact C-N 3.26Å; F470-R472 PolarHBondContact O-N 3.38Å; F470-L473 WeakPolarHBondContact O-CB 3.41Å; F470-L473 PolarHBondContact O-N 2.88Å
471D72.9Confident75.2Confident127 Ų12784 Ų8468%0.67944%0.44SS*.Hα-helixtrans-65.4-33.4177-80.2-15.5000112K419 D468 A469K419-D471 PolarHBondContact NZ-O 2.96Å; D468-D471 PolarHBondContact O-N 3.27Å; A469-D471 VanDerWaalsContact C-N 3.32Å; A469-D471 PolarHBondContact O-N 3.43Å
472R75.3Confident76.9Confident183 Ų18386 Ų8669%0.69143%0.426SS*.THydrogen-bonded Turntrans-85-5.8177.1-62.2178-163.1168.79.6114.8D468 A469 F470 L474D468-R472 WeakPolarHBondContact O-CG 3.39Å; D468-R472 PolarHBondContact O-N 3.01Å; A469-R472 PolarHBondContact O-N 3.3Å; F470-R472 VanDerWaalsContact C-N 3.26Å; F470-R472 PolarHBondContact O-N 3.38Å; R472-L474 PolarHBondContact O-N 3.24Å; R472-L474 VanDerWaalsContact O-N 3.16Å
473L83.5Confident78.9Confident23 Ų2377.3 Ų77.312%0.1239%0.388CS..  trans-60.9119.1179.9-178130.1000110.4K419 M453 L456 A469 F470K419-L473 HydrophobicContact CD-CD2 4.36Å; K419-L473 WeakPolarHBondContact CD-O 3.31Å; M453-L473 HydrophobicContact CB-CD1 4.2Å; M453-L473 HydrophobicContact CG-CD1 3.49Å; M453-L473 VanDerWaalsContact CG-CD1 3.49Å; L456-L473 HydrophobicContact CD1-CB 3.88Å; L456-L473 HydrophobicContact CD1-CD1 3.62Å; L456-L473 HydrophobicContact CD1-CG 4.22Å; A469-L473 PolarHBondContact O-N 3.36Å; A469-L473 VanDerWaalsContact O-N 3.14Å; F470-L473 WeakPolarHBondContact O-CB 3.41Å; F470-L473 PolarHBondContact O-N 2.88Å
474L89.3Confident80.5Confident73 Ų7372.7 Ų72.738%0.38236%0.358SS..  trans-134.5123.5175-71.3174.4000108G418 K419 A421 S452 R472 K476G418-L474 WeakPolarHBondContact O-CD2 3.4Å; K419-L474 WeakPolarHBondContact O-CA 3.49Å; A421-L474 HydrophobicContact CB-CB 4.39Å; S452-L474 PolarHBondContact OG-O 2.95Å; R472-L474 PolarHBondContact O-N 3.24Å; R472-L474 VanDerWaalsContact O-N 3.16Å; L474-K476 PolarHBondContact O-N 3.28Å
475V92Very high82Confident4 Ų470.4 Ų70.42%0.02435%0.347CS..BIsolated β-bridgetrans-77.4116.8173.2-1730000107.9K419 L420 A421 A448 A449 D479 F480K419-V475 PolarHBondContact O-N 3.09Å; L420-V475 HydrophobicContact CD1-CB 4.39Å; A421-V475 WeakPolarHBondContact CB-O 3.48Å; A421-V475 PolarHBondContact N-O 3.41Å; A448-V475 HydrophobicContact CB-CG1 4.01Å; A449-V475 HydrophobicContact CB-CG2 4.38Å; V475-D479 HydrophobicContact CG1-CB 4.31Å; V475-F480 HydrophobicContact CG1-CD2 4.14Å; V475-F480 HydrophobicContact CG1-CE2 3.59Å; V475-F480 HydrophobicContact CG1-CZ 4.22Å
476K92.5Very high83.3Confident95 Ų9570.7 Ų70.741%0.41335%0.346SS..  trans-99.4165.7-174.1-64173.3-172.9168.20111.7A421 L474 S478 D479A421-K476 HydrophobicContact CB-CG 4.16Å; L474-K476 PolarHBondContact O-N 3.28Å; K476-S478 PolarHBondContact O-N 2.89Å; K476-D479 PolarHBondContact N-OD2 2.82Å; K476-D479 WeakPolarHBondContact O-CB 3.16Å; K476-D479 PolarHBondContact O-N 3.41Å; K476-D479 VanDerWaalsContact O-N 3.07Å
477R93.6Very high84.4Confident86 Ų8670.2 Ų70.233%0.32534%0.343SS..Hα-helixtrans-56.8-36.8173.1-179.2179.1169.2-82.2-1.2112.2D423 V424 E428 D479 F480 L481D423-R477 HydrophobicContact CB-CB 4.36Å; D423-R477 VanDerWaalsContact OD2-CB 3.27Å; D423-R477 WeakPolarHBondContact OD2-CB 3.5Å; D423-R477 PolarHBondContact OD2-N 3.01Å; V424-R477 HydrophobicContact CG2-CB 4.48Å; E428-R477 IonicContact OE1-CZ 2.94Å; E428-R477 IonicContact OE1-NE 2.73Å; E428-R477 PolarHBondContact OE1-NE 3.05Å; E428-R477 IonicContact OE1-NH2 3.49Å; E428-R477 PolarHBondContact OE1-NH2 3.47Å; E428-R477 IonicContact OE2-CZ 3.68Å; E428-R477 IonicContact OE2-NE 3.72Å; E428-R477 PolarHBondContact OE2-NE 2.72Å; E428-R477 IonicContact OE2-NH2 2.82Å; R477-D479 VanDerWaalsContact C-N 3.26Å; R477-D479 PolarHBondContact O-N 2.9Å; R477-F480 PolarHBondContact O-N 2.99Å; R477-L481 HydrophobicContact CG-CD1 4.42Å; R477-L481 WeakPolarHBondContact O-CG 3.37Å; R477-L481 PolarHBondContact O-N 2.81Å; R477-L481 VanDerWaalsContact O-N 3.13Å
478S93.2Very high85.4Confident62 Ų6266.6 Ų66.643%0.43432%0.319SS..Hα-helixtrans-59.1-35.9176.953.80000113K476 L481 Y482K476-S478 PolarHBondContact O-N 2.89Å; S478-L481 PolarHBondContact O-N 2.88Å; S478-Y482 WeakPolarHBondContact O-CB 3.37Å; S478-Y482 PolarHBondContact O-N 2.73Å
479D93.4Very high85.9Confident1 Ų167.1 Ų67.11%0.00532%0.318CS..Hα-helixtrans-71.3-37.5-176.6-53.4-32.7000110.7A448 T451 Q455 V475 K476 R477 A483A448-D479 HydrophobicContact CB-CB 4.35Å; T451-D479 HydrophobicContact CG2-CB 4.45Å; Q455-D479 PolarHBondContact NE2-OD1 3.03Å; V475-D479 HydrophobicContact CG1-CB 4.31Å; K476-D479 PolarHBondContact N-OD2 2.82Å; K476-D479 WeakPolarHBondContact O-CB 3.16Å; K476-D479 PolarHBondContact O-N 3.41Å; K476-D479 VanDerWaalsContact O-N 3.07Å; R477-D479 VanDerWaalsContact C-N 3.26Å; R477-D479 PolarHBondContact O-N 2.9Å; D479-A483 WeakPolarHBondContact O-CB 3.25Å; D479-A483 PolarHBondContact O-N 3.21Å
480F93.8Very high86.3Confident0 Ų068.1 Ų68.10%032%0.322CS..Hα-helixtrans-66.5-41.9172.8-78-82.1000112.7L420 V424 L429 L444 A448 V475 R477 A483 L484L420-F480 HydrophobicContact CD1-CE2 4Å; L420-F480 HydrophobicContact CD1-CZ 4.37Å; V424-F480 HydrophobicContact CG1-CD2 4.06Å; V424-F480 HydrophobicContact CG1-CE2 3.86Å; V424-F480 HydrophobicContact CG2-CD2 4.2Å; V424-F480 HydrophobicContact CG2-CE2 4.14Å; L429-F480 HydrophobicContact CD1-CB 4.21Å; L429-F480 HydrophobicContact CD1-CD1 3.69Å; L429-F480 HydrophobicContact CD1-CD2 4.19Å; L429-F480 HydrophobicContact CD1-CE1 4.04Å; L429-F480 HydrophobicContact CD1-CE2 4.5Å; L429-F480 HydrophobicContact CD1-CG 3.77Å; L429-F480 HydrophobicContact CD1-CZ 4.43Å; L429-F480 HydrophobicContact CD2-CB 3.78Å; L429-F480 HydrophobicContact CD2-CD1 4.49Å; L429-F480 HydrophobicContact CD2-CG 4.27Å; L444-F480 HydrophobicContact CG-CD1 4.18Å; A448-F480 HydrophobicContact CB-CB 4.45Å; A448-F480 HydrophobicContact CB-CD1 3.62Å; A448-F480 HydrophobicContact CB-CD2 4.03Å; A448-F480 HydrophobicContact CB-CE1 3.75Å; A448-F480 HydrophobicContact CB-CE2 4.14Å; A448-F480 HydrophobicContact CB-CG 3.77Å; A448-F480 HydrophobicContact CB-CZ 4.01Å; V475-F480 HydrophobicContact CG1-CD2 4.14Å; V475-F480 HydrophobicContact CG1-CE2 3.59Å; V475-F480 HydrophobicContact CG1-CZ 4.22Å; R477-F480 PolarHBondContact O-N 2.99Å; F480-A483 PolarHBondContact O-N 2.88Å; F480-L484 WeakPolarHBondContact O-CB 3.29Å; F480-L484 PolarHBondContact O-N 3.37Å
481L92.5Very high86.4Confident46 Ų4667.9 Ų67.924%0.24134%0.336CS..Hα-helixtrans-66.3-42.3178-68.7-179.2000111.6K432 R477 S478 A483 L484 E485K432-L481 HydrophobicContact CD-CD2 3.97Å; R477-L481 HydrophobicContact CG-CD1 4.42Å; R477-L481 WeakPolarHBondContact O-CG 3.37Å; R477-L481 PolarHBondContact O-N 2.81Å; R477-L481 VanDerWaalsContact O-N 3.13Å; S478-L481 PolarHBondContact O-N 2.88Å; L481-A483 VanDerWaalsContact C-N 3.35Å; L481-A483 PolarHBondContact O-N 3.06Å; L481-L484 PolarHBondContact O-N 2.78Å; L481-E485 PolarHBondContact O-N 3.42Å; L481-E485 VanDerWaalsContact O-N 3.07Å
482Y91.6Very high86.1Confident117 Ų11763.7 Ų63.746%0.45931%0.312SS..Hα-helixtrans-59.3-46.5174.5-175.9-88.7000111.4T451 S478 L484 E485 H486T451-Y482 HydrophobicContact CG2-CD1 3.86Å; T451-Y482 HydrophobicContact CG2-CE1 4.38Å; T451-Y482 HydrophobicContact CG2-CG 4.4Å; S478-Y482 WeakPolarHBondContact O-CB 3.37Å; S478-Y482 PolarHBondContact O-N 2.73Å; Y482-L484 VanDerWaalsContact C-N 3.31Å; Y482-L484 PolarHBondContact O-N 3.36Å; Y482-E485 PolarHBondContact O-N 2.97Å; Y482-H486 AromaticContact CD2-CD2 3.58Å; Y482-H486 HydrophobicContact CE1-CB 4.42Å; Y482-H486 AromaticContact CE2-CD2 3.35Å; Y482-H486 WeakPolarHBondContact CE2-CD2 3.36Å; Y482-H486 AromaticContact CE2-NE2 3.88Å; Y482-H486 AromaticContact CZ-CD2 3.65Å; Y482-H486 PolarHBondContact O-N 3.25Å
483A92.4Very high85.4Confident0 Ų055.5 Ų55.50%028%0.284CS..Iπ-helixtrans-63.2-35.4178.400000112.9L444 A447 D479 F480 L481 D487 V488L444-A483 HydrophobicContact CD1-CB 3.82Å; A447-A483 HydrophobicContact CB-CB 3.72Å; D479-A483 WeakPolarHBondContact O-CB 3.25Å; D479-A483 PolarHBondContact O-N 3.21Å; F480-A483 PolarHBondContact O-N 2.88Å; L481-A483 VanDerWaalsContact C-N 3.35Å; L481-A483 PolarHBondContact O-N 3.06Å; A483-D487 HydrophobicContact CB-CB 4.48Å; A483-D487 WeakPolarHBondContact O-CB 3.29Å; A483-D487 PolarHBondContact O-N 3.23Å; A483-V488 PolarHBondContact O-N 2.75Å
484L88.7Confident84.2Confident50 Ų5055.7 Ų55.726%0.26229%0.289SS..Iπ-helixtrans-71.2-31.8177.1-170.8136.7000112.5K432 T433 L444 F480 L481 Y482K432-L484 HydrophobicContact CB-CD1 4.24Å; T433-L484 HydrophobicContact CG2-CD1 3.82Å; L444-L484 HydrophobicContact CD1-CB 4.08Å; F480-L484 WeakPolarHBondContact O-CB 3.29Å; F480-L484 PolarHBondContact O-N 3.37Å; L481-L484 PolarHBondContact O-N 2.78Å; Y482-L484 VanDerWaalsContact C-N 3.31Å; Y482-L484 PolarHBondContact O-N 3.36Å
485E86.1Confident82.9Confident131 Ų13153.9 Ų53.961%0.61228%0.283SS*.Iπ-helixtrans-80-40.5179.1-169.6172.7176.600112.5L481 Y482L481-E485 PolarHBondContact O-N 3.42Å; L481-E485 VanDerWaalsContact O-N 3.07Å; Y482-E485 PolarHBondContact O-N 2.97Å
486H85.3Confident81.8Confident101 Ų10161.2 Ų61.247%0.46832%0.317SS..Iπ-helixtrans-113.7-34.8-168.4-61.1-55000115.3Y482Y482-H486 AromaticContact CD2-CD2 3.58Å; Y482-H486 HydrophobicContact CE1-CB 4.42Å; Y482-H486 AromaticContact CE2-CD2 3.35Å; Y482-H486 WeakPolarHBondContact CE2-CD2 3.36Å; Y482-H486 AromaticContact CE2-NE2 3.88Å; Y482-H486 AromaticContact CZ-CD2 3.65Å; Y482-H486 PolarHBondContact O-N 3.25Å
487D85.2Confident80.6Confident86 Ų8661.8 Ų61.846%0.4632%0.321SS..Iπ-helixtrans-100.5-44.9-166.3-62.3-37.3000113.3A447 A483A447-D487 HydrophobicContact CB-CB 3.97Å; A483-D487 HydrophobicContact CB-CB 4.48Å; A483-D487 WeakPolarHBondContact O-CB 3.29Å; A483-D487 PolarHBondContact O-N 3.23Å
488V85.9Confident79.8Confident22 Ų2260.9 Ų60.913%0.13332%0.32CS..  trans-124.1110-169.5-172.90000110.8F436 E440 A447 A483F436-V488 HydrophobicContact CE1-CB 4.45Å; F436-V488 HydrophobicContact CE1-CG1 3.78Å; E440-V488 HydrophobicContact CB-CG1 4.48Å; A447-V488 HydrophobicContact CB-CG2 3.99Å; A483-V488 PolarHBondContact O-N 2.75Å
489K78.9Confident79.2Confident97 Ų9758.6 Ų58.642%0.42230%0.303SS..  trans-108.3145.2174.6-68.6174.2-179.7157.60110.5A491 E497K489-A491 PolarHBondContact O-N 3.14Å; K489-E497 IonicContact NZ-OE1 2.94Å; K489-E497 PolarHBondContact NZ-OE1 3.41Å; K489-E497 IonicContact NZ-OE2 3.87Å; K489-E497 PolarHBondContact NZ-OE2 2.91Å
490P76.9Confident78.6Confident40 Ų4061.8 Ų61.826%0.2633%0.326SS..  trans-67.6130.2177.728.1-31.9000110F436 F492F436-P490 HydrophobicContact CD2-CB 3.84Å; F436-P490 HydrophobicContact CD2-CG 4.34Å; F436-P490 HydrophobicContact CE2-CB 3.79Å; F436-P490 HydrophobicContact CE2-CG 3.85Å; P490-F492 VanDerWaalsContact C-N 3.26Å
491A71.7Confident78.1Confident81 Ų8166.6 Ų66.667%0.66936%0.358SS*.SBendtrans-69.2-30.7172.900000111.2E440 K489E440-A491 WeakPolarHBondContact OE1-CB 3.27Å; E440-A491 PolarHBondContact OE1-N 3.01Å; K489-A491 PolarHBondContact O-N 3.14Å
492F65.6Low77.8Confident40 Ų4066.7 Ų66.718%0.17536%0.356CS..SBendtrans-103.3108.9173.6-84.2-92.9000111P261 P262 L397 N435 P490P261-F492 HydrophobicContact CB-CD2 4.18Å; P261-F492 HydrophobicContact CB-CE2 3.63Å; P261-F492 HydrophobicContact CB-CZ 3.82Å; P261-F492 HydrophobicContact CG-CE1 4.46Å; P261-F492 HydrophobicContact CG-CE2 4.39Å; P261-F492 HydrophobicContact CG-CZ 4.16Å; P262-F492 HydrophobicContact CG-CE2 4.4Å; L397-F492 HydrophobicContact CD1-CB 3.85Å; L397-F492 HydrophobicContact CD1-CG 4.3Å; N435-F492 WeakPolarHBondContact CB-O 3.23Å; N435-F492 PolarHBondContact ND2-O 3.26Å; P490-F492 VanDerWaalsContact C-N 3.26Å
493G61.4Low77.4Confident10 Ų1062 Ų6210%0.10334%0.34CS..SBendtrans144.9-163.2169.200000114.9S495G493-S495 PolarHBondContact O-N 3.39Å
494A58.1Low76.9Confident28 Ų2867.3 Ų67.323%0.23138%0.375CS..  trans-66.1109.7175.500000109.3E496 L499 V567A494-E496 PolarHBondContact O-N 2.83Å; A494-E496 VanDerWaalsContact O-N 3.13Å; A494-L499 HydrophobicContact CB-CD1 4.02Å; A494-V567 VanDerWaalsContact CA-O 3.31Å; A494-V567 WeakPolarHBondContact CA-O 3.44Å; A494-V567 HydrophobicContact CB-CB 3.72Å; A494-V567 HydrophobicContact CB-CG2 4.15Å; A494-V567 PolarHBondContact N-O 3.27Å
495S62.6Low76.5Confident35 Ų3569.3 Ų69.325%0.24538%0.379CS..  trans-73.6101.8158.6171.50000105.9G493 E497 E498 L499G493-S495 PolarHBondContact O-N 3.39Å; S495-E497 PolarHBondContact O-N 2.93Å; S495-E498 WeakPolarHBondContact O-CA 3.27Å; S495-E498 WeakPolarHBondContact O-CB 3.39Å; S495-E498 PolarHBondContact O-N 2.61Å; S495-E498 PolarHBondContact OG-N 3.2Å; S495-E498 VanDerWaalsContact OG-N 3.1Å; S495-L499 PolarHBondContact O-N 3.15Å
496E68.1Low76.5Confident158 Ų15865 Ų6574%0.73837%0.37SS*.Hα-helixtrans-54.4-31.7175.4-71.7-167.9164.500111A494 L499 S500A494-E496 PolarHBondContact O-N 2.83Å; A494-E496 VanDerWaalsContact O-N 3.13Å; E496-L499 PolarHBondContact O-N 3.12Å; E496-S500 WeakPolarHBondContact O-CB 3.35Å; E496-S500 PolarHBondContact O-N 2.99Å; E496-S500 PolarHBondContact O-OG 2.93Å
497E68.4Low76.7Confident107 Ų10761.9 Ų61.950%0.536%0.356SS..Hα-helixtrans-66-42.2172.3-65.8-178.5159.300112.9K489 S495 L499 S500 C501K489-E497 IonicContact NZ-OE1 2.94Å; K489-E497 PolarHBondContact NZ-OE1 3.41Å; K489-E497 IonicContact NZ-OE2 3.87Å; K489-E497 PolarHBondContact NZ-OE2 2.91Å; S495-E497 PolarHBondContact O-N 2.93Å; E497-L499 VanDerWaalsContact C-N 3.29Å; E497-L499 PolarHBondContact O-N 3.4Å; E497-S500 PolarHBondContact O-OG 3.05Å; E497-C501 PolarHBondContact O-N 3.27Å; E497-C501 PolarHBondContact O-SG 3.11Å
498E75.8Confident76.8Confident66 Ų6658.7 Ų58.731%0.30834%0.339SS..Hα-helixtrans-63.1-39.8173.8-75.3-179-148.800110.8S495 Y502 K568 K574S495-E498 WeakPolarHBondContact O-CA 3.27Å; S495-E498 WeakPolarHBondContact O-CB 3.39Å; S495-E498 PolarHBondContact O-N 2.61Å; S495-E498 PolarHBondContact OG-N 3.2Å; S495-E498 VanDerWaalsContact OG-N 3.1Å; E498-Y502 WeakPolarHBondContact O-CD2 3.35Å; E498-Y502 WeakPolarHBondContact O-CE2 3.45Å; E498-K568 IonicContact OE1-NZ 3.07Å; E498-K568 PolarHBondContact OE1-NZ 3Å; E498-K568 IonicContact OE2-NZ 2.94Å; E498-K568 PolarHBondContact OE2-NZ 3.39Å; E498-K574 IonicContact OE2-NZ 2.81Å; E498-K574 PolarHBondContact OE2-NZ 3.41Å
499L81Confident76.9Confident15 Ų1561.9 Ų61.98%0.07935%0.354CS..Hα-helixtrans-71.8-40.2-178.8-67.1177.2000112.1A494 S495 E496 E497 C501 Y502 V556 V567 I603A494-L499 HydrophobicContact CB-CD1 4.02Å; S495-L499 PolarHBondContact O-N 3.15Å; E496-L499 PolarHBondContact O-N 3.12Å; E497-L499 VanDerWaalsContact C-N 3.29Å; E497-L499 PolarHBondContact O-N 3.4Å; L499-C501 PolarHBondContact O-N 3.2Å; L499-Y502 PolarHBondContact O-N 3.28Å; L499-V556 HydrophobicContact CB-CG1 3.97Å; L499-V556 HydrophobicContact CD2-CG1 4.18Å; L499-V556 HydrophobicContact CD2-CG2 4.34Å; L499-V567 HydrophobicContact CD1-CB 4.23Å; L499-V567 HydrophobicContact CD1-CG1 3.86Å; L499-V567 HydrophobicContact CD2-CG1 4.17Å; L499-I603 HydrophobicContact CD2-CD1 4.48Å
500S79.9Confident77.3Confident68 Ų6857.9 Ų57.948%0.47634%0.336SS..Hα-helixtrans-62.5-29.3-178.968.90000112.7E496 E497 Y502 A503E496-S500 WeakPolarHBondContact O-CB 3.35Å; E496-S500 PolarHBondContact O-N 2.99Å; E496-S500 PolarHBondContact O-OG 2.93Å; E497-S500 PolarHBondContact O-OG 3.05Å; S500-Y502 PolarHBondContact O-N 2.81Å; S500-A503 CarbonylContact O-C 3.48Å; S500-A503 PolarHBondContact O-N 2.9Å
501C84.3Confident77.8Confident100 Ų10056.9 Ų56.968%0.67633%0.333SS*.THydrogen-bonded Turntrans-59-27.5173.5-67.60000114.1E497 L499E497-C501 PolarHBondContact O-N 3.27Å; E497-C501 PolarHBondContact O-SG 3.11Å; L499-C501 PolarHBondContact O-N 3.2Å
502Y85Confident78.6Confident49 Ų4960.6 Ų60.619%0.19234%0.336CS..THydrogen-bonded Turntrans-88-18.6-178.4-62.1-77.2000113.8E498 L499 S500 T552 V556 I569 H573E498-Y502 WeakPolarHBondContact O-CD2 3.35Å; E498-Y502 WeakPolarHBondContact O-CE2 3.45Å; L499-Y502 PolarHBondContact O-N 3.28Å; S500-Y502 PolarHBondContact O-N 2.81Å; Y502-T552 HydrophobicContact CD1-CG2 3.95Å; Y502-T552 HydrophobicContact CG-CG2 4.37Å; Y502-V556 HydrophobicContact CD2-CG2 4.32Å; Y502-V556 HydrophobicContact CG-CG2 4.28Å; Y502-I569 HydrophobicContact CD1-CD1 4.21Å; Y502-I569 HydrophobicContact CD2-CD1 4.06Å; Y502-I569 HydrophobicContact CE1-CD1 3.99Å; Y502-I569 HydrophobicContact CE2-CD1 3.8Å; Y502-I569 HydrophobicContact CE2-CG2 3.78Å; Y502-I569 HydrophobicContact CG-CD1 4.26Å; Y502-H573 AromaticContact CE1-CE1 3.45Å; Y502-H573 VanDerWaalsContact CE1-CE1 3.45Å; Y502-H573 WeakPolarHBondContact CE1-CE1 3.48Å; Y502-H573 AromaticContact CE1-NE2 3.93Å; Y502-H573 AromaticContact CZ-CE1 3.6Å; Y502-H573 AromaticContact CZ-NE2 3.71Å; Y502-H573 PolarHBondContact OH-CE1 2.83Å; Y502-H573 PolarHBondContact OH-NE2 3.13Å
503A84.1Confident79.7Confident17 Ų1760 Ų6014%0.1434%0.337CS..  trans-137.461.3179.600000111.3S500 R505 G506 A553S500-A503 CarbonylContact O-C 3.48Å; S500-A503 PolarHBondContact O-N 2.9Å; A503-R505 VanDerWaalsContact C-N 3.26Å; A503-R505 PolarHBondContact O-N 2.8Å; A503-G506 PolarHBondContact O-N 3.23Å; A503-G506 VanDerWaalsContact O-N 3.07Å; A503-A553 HydrophobicContact CB-CB 4.04Å
504P81.8Confident81.1Confident113 Ų11359.7 Ų59.773%0.73433%0.333SS*.THydrogen-bonded Turntrans-65.3-25.8-171.226-35.7000114.1
505R81.1Confident82.7Confident91 Ų9160.2 Ų60.234%0.34334%0.335SS..THydrogen-bonded Turntrans-100.69.1177.9-59.2-170.6-170.8-1707.9113A503 D685 D717A503-R505 VanDerWaalsContact C-N 3.26Å; A503-R505 PolarHBondContact O-N 2.8Å; R505-D685 IonicContact CZ-OD1 2.81Å; R505-D685 IonicContact NH1-OD1 3.99Å; R505-D685 PolarHBondContact NH1-OD1 3.11Å; R505-D717 IonicContact CZ-OD1 3.52Å; R505-D717 IonicContact CZ-OD2 2.69Å; R505-D717 IonicContact NH1-OD1 2.7Å; R505-D717 IonicContact NH2-OD1 2.8Å; R505-D717 PolarHBondContact NH2-OD1 3.27Å; R505-D717 IonicContact NH2-OD2 2.65Å; R505-D717 PolarHBondContact NH2-OD2 3.16Å
506G84.8Confident84.1Confident40 Ų4063.5 Ų63.541%0.41235%0.346SS..  trans66.4-157.3-167.700000112.6A503A503-G506 PolarHBondContact O-N 3.23Å; A503-G506 VanDerWaalsContact O-N 3.07Å
507I89.3Confident85.2Confident36 Ų3656 Ų5619%0.18531%0.311CS..  trans-109.7122.1178-59.8-56.8000109.3M509 V514 L518 A553 L554 E557I507-M509 HydrophobicContact CG2-SD 4.48Å; I507-V514 HydrophobicContact CG2-CG1 3.66Å; I507-L518 HydrophobicContact CG2-CD1 4.3Å; I507-A553 HydrophobicContact CD1-CB 3.8Å; I507-L554 HydrophobicContact CD1-CD2 4.19Å; I507-L554 HydrophobicContact CG2-CD2 4.03Å; I507-E557 HydrophobicContact CD1-CB 4.11Å; I507-E557 HydrophobicContact CG1-CB 3.58Å; I507-E557 HydrophobicContact CG1-CG 3.61Å
508M87.8Confident86.4Confident20 Ų2051.5 Ų51.510%0.09929%0.291CS..  trans-84.3128174.7-67.4169.6168.700110.4W510 E684 D685 I709 L713M508-W510 VanDerWaalsContact C-N 3.33Å; M508-W510 VanDerWaalsContact O-CD1 3.24Å; M508-W510 PolarHBondContact O-N 2.94Å; M508-W510 VanDerWaalsContact O-N 3.08Å; M508-E684 HydrophobicContact CB-CB 4.35Å; M508-E684 HydrophobicContact CG-CB 4.11Å; M508-D685 HydrophobicContact CE-CB 3.8Å; M508-I709 HydrophobicContact SD-CD1 4.35Å; M508-L713 HydrophobicContact CE-CD2 3.78Å; M508-L713 HydrophobicContact SD-CD2 3.93Å
509M88Confident87.3Confident89 Ų8952.2 Ų52.244%0.43830%0.296SS..  trans-86.869.7-178.6-64.6-60.4-6600111.4I507 V514 L518I507-M509 HydrophobicContact CG2-SD 4.48Å; M509-V514 HydrophobicContact SD-CG1 3.83Å; M509-L518 HydrophobicContact CE-CD1 4.34Å; M509-L518 HydrophobicContact SD-CD1 3.75Å
510W88.1Confident87.8Confident12 Ų1253.7 Ų53.75%0.04530%0.304CS..  trans-87.2-7.3-173.657.5-100.5000115.4M508 V514 A670 L672 H677 A680 A681M508-W510 VanDerWaalsContact C-N 3.33Å; M508-W510 VanDerWaalsContact O-CD1 3.24Å; M508-W510 PolarHBondContact O-N 2.94Å; M508-W510 VanDerWaalsContact O-N 3.08Å; W510-V514 HydrophobicContact CD2-CG2 4Å; W510-V514 VanDerWaalsContact CE2-CG2 3.41Å; W510-V514 HydrophobicContact CG-CG2 4.35Å; W510-V514 HydrophobicContact CH2-CG2 4.43Å; W510-V514 HydrophobicContact CZ2-CG2 3.67Å; W510-A670 WeakPolarHBondContact CH2-O 3.24Å; W510-L672 HydrophobicContact CD2-CD2 4.31Å; W510-L672 HydrophobicContact CD2-CG 4.07Å; W510-L672 HydrophobicContact CE3-CD2 4.36Å; W510-L672 HydrophobicContact CE3-CG 3.96Å; W510-L672 HydrophobicContact CG-CD2 4.49Å; W510-L672 HydrophobicContact CH2-CG 4.34Å; W510-L672 HydrophobicContact CZ2-CD1 4.42Å; W510-L672 HydrophobicContact CZ2-CG 4.44Å; W510-L672 HydrophobicContact CZ3-CG 4.1Å; W510-H677 HydrophobicContact CE3-CB 3.77Å; W510-H677 AromaticContact CE3-CG 3.96Å; W510-H677 HydrophobicContact CZ3-CB 4.24Å; W510-H677 AromaticContact CZ3-ND1 3.83Å; W510-H677 WeakPolarHBondContact O-CA 3.43Å; W510-A680 HydrophobicContact CB-CB 4.37Å; W510-A681 HydrophobicContact CB-CB 3.88Å
511G86.4Confident88.4Confident19 Ų1950.4 Ų50.420%0.19628%0.281CS..SBendtrans176.7173.7179.100000114.6S513 V514 S515G511-S513 PolarHBondContact O-N 3.33Å; G511-S513 VanDerWaalsContact O-N 3.17Å; G511-V514 PolarHBondContact O-N 3Å; G511-V514 VanDerWaalsContact O-N 3.08Å; G511-S515 PolarHBondContact O-N 3.2Å
512E88.7Confident88.8Confident159 Ų15952.4 Ų52.474%0.74327%0.274SS*.Hα-helixtrans-60.4-27.3-175.4-64.5179.517600113.6V514 S515 H516E512-V514 VanDerWaalsContact C-N 3.29Å; E512-V514 PolarHBondContact O-N 3.44Å; E512-S515 WeakPolarHBondContact CA-OG 3.41Å; E512-S515 PolarHBondContact O-N 3.02Å; E512-S515 PolarHBondContact O-OG 2.93Å; E512-H516 WeakPolarHBondContact O-CB 3.49Å; E512-H516 PolarHBondContact O-N 2.82Å
513S88.5Confident89.2Confident27 Ų2754.9 Ų54.919%0.18929%0.29CS..Hα-helixtrans-63.6-35.7177.3-177.40000112.1G511 A517 A670G511-S513 PolarHBondContact O-N 3.33Å; G511-S513 VanDerWaalsContact O-N 3.17Å; S513-A517 WeakPolarHBondContact O-CB 3.31Å; S513-A517 PolarHBondContact O-N 3.23Å; S513-A517 VanDerWaalsContact O-N 3.13Å; S513-A670 PolarHBondContact OG-N 3Å
514V90.6Very high89.6Confident4 Ų454.1 Ų54.12%0.02428%0.284CS..Hα-helixtrans-75.7-44.9179.9176.50000110.4I507 M509 W510 G511 E512 A517 L518 L554I507-V514 HydrophobicContact CG2-CG1 3.66Å; M509-V514 HydrophobicContact SD-CG1 3.83Å; W510-V514 HydrophobicContact CD2-CG2 4Å; W510-V514 VanDerWaalsContact CE2-CG2 3.41Å; W510-V514 HydrophobicContact CG-CG2 4.35Å; W510-V514 HydrophobicContact CH2-CG2 4.43Å; W510-V514 HydrophobicContact CZ2-CG2 3.67Å; G511-V514 PolarHBondContact O-N 3Å; G511-V514 VanDerWaalsContact O-N 3.08Å; E512-V514 VanDerWaalsContact C-N 3.29Å; E512-V514 PolarHBondContact O-N 3.44Å; V514-A517 PolarHBondContact O-N 2.93Å; V514-L518 HydrophobicContact CG1-CD1 4.19Å; V514-L518 WeakPolarHBondContact O-CG 3.26Å; V514-L518 PolarHBondContact O-N 3.27Å; V514-L554 HydrophobicContact CG1-CD2 4.09Å
515S91.8Very high90.1Very high39 Ų3949.5 Ų49.527%0.27325%0.254SS..Hα-helixtrans-61.5-46.9176.356.70000111.3G511 E512 A517 L518 D519G511-S515 PolarHBondContact O-N 3.2Å; E512-S515 WeakPolarHBondContact CA-OG 3.41Å; E512-S515 PolarHBondContact O-N 3.02Å; E512-S515 PolarHBondContact O-OG 2.93Å; S515-A517 VanDerWaalsContact C-N 3.32Å; S515-A517 PolarHBondContact O-N 3.49Å; S515-L518 PolarHBondContact O-N 3.38Å; S515-D519 WeakPolarHBondContact O-CB 3.09Å; S515-D519 VanDerWaalsContact O-CG 3.24Å; S515-D519 PolarHBondContact O-N 3.09Å
516H93.1Very high90.5Very high104 Ų10448.5 Ų48.548%0.48126%0.26SS..Hα-helixtrans-58.4-42.5176.1179.2-98.9000112.1E512 D519 M520E512-H516 WeakPolarHBondContact O-CB 3.49Å; E512-H516 PolarHBondContact O-N 2.82Å; H516-D519 PolarHBondContact O-N 3.44Å; H516-M520 WeakPolarHBondContact O-CB 3.29Å; H516-M520 VanDerWaalsContact O-CG 3.29Å; H516-M520 WeakPolarHBondContact O-CG 3.42Å; H516-M520 PolarHBondContact O-N 2.7Å
517A91.8Very high90.7Very high0 Ų048.5 Ų48.50%026%0.257CS..Hα-helixtrans-64.8-40.4177.500000112.7S513 V514 S515 G521 L554 V667S513-A517 WeakPolarHBondContact O-CB 3.31Å; S513-A517 PolarHBondContact O-N 3.23Å; S513-A517 VanDerWaalsContact O-N 3.13Å; V514-A517 PolarHBondContact O-N 2.93Å; S515-A517 VanDerWaalsContact C-N 3.32Å; S515-A517 PolarHBondContact O-N 3.49Å; A517-G521 PolarHBondContact O-N 2.8Å; A517-L554 HydrophobicContact CB-CD1 4.31Å; A517-V667 HydrophobicContact CB-CG1 3.72Å
518L93Very high90.7Very high14 Ų1447.2 Ų47.27%0.07325%0.25CS..Hα-helixtrans-68.2-40175.4-71.1173.8000112I507 M509 V514 S515 G521 R522 L554 E557 I558I507-L518 HydrophobicContact CG2-CD1 4.3Å; M509-L518 HydrophobicContact CE-CD1 4.34Å; M509-L518 HydrophobicContact SD-CD1 3.75Å; V514-L518 HydrophobicContact CG1-CD1 4.19Å; V514-L518 WeakPolarHBondContact O-CG 3.26Å; V514-L518 PolarHBondContact O-N 3.27Å; S515-L518 PolarHBondContact O-N 3.38Å; L518-G521 CarbonylContact O-C 3.55Å; L518-G521 WeakPolarHBondContact O-CA 3.46Å; L518-G521 PolarHBondContact O-N 3.48Å; L518-R522 WeakPolarHBondContact O-CG 3.33Å; L518-R522 PolarHBondContact O-N 2.98Å; L518-L554 HydrophobicContact CD2-CD2 4.2Å; L518-L554 HydrophobicContact CG-CD2 4.33Å; L518-E557 HydrophobicContact CD2-CG 4.14Å; L518-I558 HydrophobicContact CD2-CG1 4.18Å
519D93.8Very high90.6Very high80 Ų8051.7 Ų51.743%0.42827%0.269SS..Hα-helixtrans-65.1-45177.8-71-25.2000111.2S515 H516 G521 R522 L523S515-D519 WeakPolarHBondContact O-CB 3.09Å; S515-D519 VanDerWaalsContact O-CG 3.24Å; S515-D519 PolarHBondContact O-N 3.09Å; H516-D519 PolarHBondContact O-N 3.44Å; D519-G521 VanDerWaalsContact C-N 3.28Å; D519-G521 PolarHBondContact O-N 3.02Å; D519-R522 WeakPolarHBondContact O-CB 3.13Å; D519-R522 PolarHBondContact O-N 2.92Å; D519-R522 VanDerWaalsContact O-N 3.14Å; D519-L523 WeakPolarHBondContact O-CG 3.48Å; D519-L523 PolarHBondContact O-N 2.99Å
520M93Very high90.4Very high46 Ų4654.5 Ų54.523%0.22728%0.281CS..Hα-helixtrans-60.4-38.6171.6-71.6-57.5-60.300111.9H516 L523 A524 W665 V667H516-M520 WeakPolarHBondContact O-CB 3.29Å; H516-M520 VanDerWaalsContact O-CG 3.29Å; H516-M520 WeakPolarHBondContact O-CG 3.42Å; H516-M520 PolarHBondContact O-N 2.7Å; M520-L523 PolarHBondContact O-N 3.13Å; M520-L523 HydrophobicContact SD-CD1 4.04Å; M520-A524 WeakPolarHBondContact O-CB 3.34Å; M520-A524 PolarHBondContact O-N 3.41Å; M520-W665 HydrophobicContact CE-CE3 4.09Å; M520-W665 HydrophobicContact CE-CZ3 4.42Å; M520-V667 HydrophobicContact CB-CG2 3.74Å; M520-V667 HydrophobicContact CG-CG2 4.04Å
521G91.8Very high89.7Confident0 Ų056.2 Ų56.20%029%0.294CS..Hα-helixtrans-60.8-44.3172.100000113A517 L518 D519 A524 V525A517-G521 PolarHBondContact O-N 2.8Å; L518-G521 CarbonylContact O-C 3.55Å; L518-G521 WeakPolarHBondContact O-CA 3.46Å; L518-G521 PolarHBondContact O-N 3.48Å; D519-G521 VanDerWaalsContact C-N 3.28Å; D519-G521 PolarHBondContact O-N 3.02Å; G521-A524 PolarHBondContact O-N 3.29Å; G521-V525 WeakPolarHBondContact O-CG2 3.39Å; G521-V525 PolarHBondContact O-N 3.36Å
522R93Very high88.7Confident142 Ų14263.4 Ų63.454%0.53633%0.328SS..Hα-helixtrans-64.5-39.7176.4-71.9174.7-175.1-169.83.2112.2L518 D519 A524 V525 S526L518-R522 WeakPolarHBondContact O-CG 3.33Å; L518-R522 PolarHBondContact O-N 2.98Å; D519-R522 WeakPolarHBondContact O-CB 3.13Å; D519-R522 PolarHBondContact O-N 2.92Å; D519-R522 VanDerWaalsContact O-N 3.14Å; R522-A524 VanDerWaalsContact C-N 3.34Å; R522-V525 PolarHBondContact O-N 2.78Å; R522-S526 WeakPolarHBondContact O-CB 3.22Å; R522-S526 PolarHBondContact O-N 3.19Å; R522-S526 PolarHBondContact O-OG 2.91Å
523L92.6Very high87.8Confident101 Ų10161 Ų6153%0.52932%0.323SS..Hα-helixtrans-62.1-43.1173.3-70.5173.7000111D519 M520 S526 A527 W665D519-L523 WeakPolarHBondContact O-CG 3.48Å; D519-L523 PolarHBondContact O-N 2.99Å; M520-L523 PolarHBondContact O-N 3.13Å; M520-L523 HydrophobicContact SD-CD1 4.04Å; L523-S526 PolarHBondContact O-N 2.98Å; L523-A527 WeakPolarHBondContact O-CB 3.45Å; L523-A527 PolarHBondContact O-N 3.23Å; L523-W665 HydrophobicContact CB-CH2 4.48Å; L523-W665 HydrophobicContact CB-CZ3 4.19Å
524A92.1Very high86.7Confident0 Ų065.7 Ų65.70%034%0.343CS..Hα-helixtrans-64.3-43.4178.100000111.7M520 G521 R522 S526 A527 V528 L539 L541 L643 W665M520-A524 WeakPolarHBondContact O-CB 3.34Å; M520-A524 PolarHBondContact O-N 3.41Å; G521-A524 PolarHBondContact O-N 3.29Å; R522-A524 VanDerWaalsContact C-N 3.34Å; A524-S526 VanDerWaalsContact C-N 3.34Å; A524-S526 PolarHBondContact O-N 2.94Å; A524-A527 PolarHBondContact O-N 3.24Å; A524-V528 WeakPolarHBondContact O-CG2 3.42Å; A524-V528 PolarHBondContact O-N 3.25Å; A524-V528 VanDerWaalsContact O-N 3.13Å; A524-L539 HydrophobicContact CB-CD2 4.04Å; A524-L539 WeakPolarHBondContact O-CD2 3.48Å; A524-L541 HydrophobicContact CB-CD2 4.42Å; A524-L643 HydrophobicContact CB-CD1 3.96Å; A524-W665 VanDerWaalsContact CA-CZ3 3.47Å; A524-W665 HydrophobicContact CB-CE3 3.92Å; A524-W665 HydrophobicContact CB-CZ3 3.61Å
525V92.3Very high85.5Confident17 Ų1769.5 Ų69.510%0.10337%0.366CS..Hα-helixtrans-59.6-44.9173.91670000111.1G521 R522 V528 K529 I558 F564 L643G521-V525 WeakPolarHBondContact O-CG2 3.39Å; G521-V525 PolarHBondContact O-N 3.36Å; R522-V525 PolarHBondContact O-N 2.78Å; V525-V528 PolarHBondContact O-N 3.49Å; V525-K529 WeakPolarHBondContact O-CB 3.46Å; V525-K529 PolarHBondContact O-N 3.29Å; V525-I558 HydrophobicContact CG2-CG2 4.16Å; V525-F564 HydrophobicContact CG1-CE1 3.98Å; V525-F564 HydrophobicContact CG1-CZ 4.01Å; V525-L643 HydrophobicContact CG2-CD2 3.86Å
526S90.7Very high84.7Confident70 Ų7073.5 Ų73.549%0.4938%0.376SS..Hα-helixtrans-64.9-44.1-179.2-56.50000111.4R522 L523 A524 V528 K529 E530R522-S526 WeakPolarHBondContact O-CB 3.22Å; R522-S526 PolarHBondContact O-N 3.19Å; R522-S526 PolarHBondContact O-OG 2.91Å; L523-S526 PolarHBondContact O-N 2.98Å; A524-S526 VanDerWaalsContact C-N 3.34Å; A524-S526 PolarHBondContact O-N 2.94Å; S526-V528 VanDerWaalsContact C-N 3.25Å; S526-V528 PolarHBondContact O-N 3.12Å; S526-K529 PolarHBondContact O-N 3.06Å; S526-K529 VanDerWaalsContact O-N 3.09Å; S526-E530 PolarHBondContact O-N 3.16Å
527A88.6Confident84.2Confident40 Ų4077 Ų7733%0.33139%0.385SS..Hα-helixtrans-60.1-33.7176.200000112.9L523 A524 L539 W665L523-A527 WeakPolarHBondContact O-CB 3.45Å; L523-A527 PolarHBondContact O-N 3.23Å; A524-A527 PolarHBondContact O-N 3.24Å; A527-L539 HydrophobicContact CB-CD2 3.95Å; A527-W665 HydrophobicContact CB-CH2 4.36Å
528V88.3Confident84.1Confident9 Ų977.4 Ų77.46%0.05539%0.388CS..Hα-helixtrans-76.4-37.1174.7174.90000111.5A524 V525 S526 L539 F564 L599 R641 L643A524-V528 WeakPolarHBondContact O-CG2 3.42Å; A524-V528 PolarHBondContact O-N 3.25Å; A524-V528 VanDerWaalsContact O-N 3.13Å; V525-V528 PolarHBondContact O-N 3.49Å; S526-V528 VanDerWaalsContact C-N 3.25Å; S526-V528 PolarHBondContact O-N 3.12Å; V528-L539 HydrophobicContact CG2-CB 3.62Å; V528-L539 HydrophobicContact CG2-CD2 3.73Å; V528-L539 HydrophobicContact CG2-CG 4.31Å; V528-F564 HydrophobicContact CB-CE2 4.12Å; V528-F564 HydrophobicContact CB-CZ 4Å; V528-F564 HydrophobicContact CG1-CE2 3.61Å; V528-F564 HydrophobicContact CG1-CZ 3.8Å; V528-L599 HydrophobicContact CG1-CD2 4.32Å; V528-R641 HydrophobicContact CG1-CB 3.81Å; V528-R641 WeakPolarHBondContact O-CD 3.39Å; V528-R641 PolarHBondContact O-NE 3.34Å; V528-R641 PolarHBondContact O-NH1 3.4Å; V528-L643 HydrophobicContact CG2-CB 4.12Å; V528-L643 HydrophobicContact CG2-CD1 4.27Å
529K86.7Confident84Confident114 Ų11478.3 Ų78.350%0.49639%0.393SS..Hα-helixtrans-74.8-32.4-178-168.9180175.2-171.80113.3V525 S526 F564 R641V525-K529 WeakPolarHBondContact O-CB 3.46Å; V525-K529 PolarHBondContact O-N 3.29Å; S526-K529 PolarHBondContact O-N 3.06Å; S526-K529 VanDerWaalsContact O-N 3.09Å; K529-F564 HydrophobicContact CB-CE1 4.28Å; K529-F564 HydrophobicContact CB-CZ 4.47Å; K529-R641 PolarHBondContact O-NH1 2.91Å; K529-R641 PolarHBondContact O-NH2 3.23Å
530E83.6Confident84.1Confident148 Ų14874.6 Ų74.669%0.69237%0.373SS*.SBendtrans-138.980.1-178.3-71170.9-15400109.3S526S526-E530 PolarHBondContact O-N 3.16Å
531P72.9Confident84.2Confident47 Ų4772.4 Ų72.431%0.30536%0.362SS..  trans-78.7132.7179.331.7-35.1000110V533P531-V533 WeakPolarHBondContact CB-O 3.27Å; P531-V533 PolarHBondContact O-N 2.92Å
532D65.3Low84.4Confident171 Ų17172.4 Ų72.491%0.91436%0.362SS*.SBendtrans-65.8-28.5172.7-64.7-41.9000112.1
533V70.1Confident84.5Confident107 Ų10765.7 Ų65.765%0.64834%0.337SS*.SBendtrans-131.8135.6-179.2-179.30000108.5P531 T535P531-V533 WeakPolarHBondContact CB-O 3.27Å; P531-V533 PolarHBondContact O-N 2.92Å; V533-T535 PolarHBondContact O-N 3.23Å
534E65.9Low84.6Confident127 Ų12761.1 Ų61.159%0.59331%0.313SS*.  trans-58.499.8172.4-82.2-166.4166.400110.6Y536E534-Y536 PolarHBondContact OE2-OH 3.22Å
535T65.5Low84.7Confident84 Ų8461.6 Ų61.652%0.51532%0.317SS..  trans-89.6115.5172.255.20000108.9V533 R537V533-T535 PolarHBondContact O-N 3.23Å; T535-R537 PolarHBondContact O-N 3.03Å
536Y75.5Confident84.6Confident123 Ų12362.5 Ų62.548%0.48232%0.323SS..  trans-78.28.4172.7-58.3-72.8000113E534 P635 L636 A638E534-Y536 PolarHBondContact OE2-OH 3.22Å; Y536-P635 CarbonylContact O-C 3.43Å; Y536-P635 WeakPolarHBondContact O-CA 3.45Å; Y536-L636 PolarHBondContact O-N 2.85Å; Y536-A638 HydrophobicContact CE1-CB 4.43Å
537R82.5Confident84.6Confident176 Ų17662.8 Ų62.866%0.66432%0.324SS*.SBendtrans-121151.5-177.8-66.6-175.5-177.2179.90.2111.3T535T535-R537 PolarHBondContact O-N 3.03Å
538P88.4Confident84.7Confident10 Ų1065.7 Ų65.77%0.06533%0.329CS..  trans-60140.7172.8-21.232.2000111.7T540 Q634 L636 M642 V644P538-T540 HydrophobicContact CB-CG2 4.33Å; P538-Q634 VanDerWaalsContact CD-O 3.27Å; P538-Q634 WeakPolarHBondContact CD-O 3.41Å; P538-L636 HydrophobicContact CG-CD1 4.39Å; P538-L636 HydrophobicContact CG-CG 4.49Å; P538-M642 WeakPolarHBondContact CA-O 3.38Å; P538-M642 HydrophobicContact CB-CB 4.15Å; P538-M642 HydrophobicContact CB-CG 4.36Å; P538-M642 HydrophobicContact CB-SD 4.46Å; P538-M642 HydrophobicContact CG-CB 4.46Å; P538-M642 HydrophobicContact CG-SD 4.32Å; P538-V644 HydrophobicContact CB-CG2 3.89Å
539L92Very high84.9Confident33 Ų3365.4 Ų65.417%0.17333%0.327CS..EExtended strand (participates in β ladder)trans-81.5132.5166.3-175.968000108.4A524 A527 V528 M642 L643 V644 W665A524-L539 HydrophobicContact CB-CD2 4.04Å; A524-L539 WeakPolarHBondContact O-CD2 3.48Å; A527-L539 HydrophobicContact CB-CD2 3.95Å; V528-L539 HydrophobicContact CG2-CB 3.62Å; V528-L539 HydrophobicContact CG2-CD2 3.73Å; V528-L539 HydrophobicContact CG2-CG 4.31Å; L539-M642 PolarHBondContact N-O 3.41Å; L539-L643 HydrophobicContact CB-CD1 4.3Å; L539-L643 HydrophobicContact CD2-CD1 4.21Å; L539-L643 HydrophobicContact CG-CD1 4.3Å; L539-L643 CarbonylContact O-C 3.48Å; L539-L643 WeakPolarHBondContact O-CA 3.44Å; L539-V644 PolarHBondContact O-N 2.96Å; L539-W665 HydrophobicContact CD1-CZ2 4.43Å; L539-W665 HydrophobicContact CD2-CH2 4.42Å
540T94.5Very high85.1Confident2 Ų261 Ų611%0.01231%0.314CS..EExtended strand (participates in β ladder)trans-125.9128.6-170.1540000111.8P538 V632 V644 A662 F663 S664 W665P538-T540 HydrophobicContact CB-CG2 4.33Å; T540-V632 HydrophobicContact CG2-CB 4.47Å; T540-V632 HydrophobicContact CG2-CG1 3.41Å; T540-V632 VanDerWaalsContact CG2-CG1 3.41Å; T540-V644 WeakPolarHBondContact CA-O 3.41Å; T540-V644 HydrophobicContact CG2-CB 3.72Å; T540-V644 HydrophobicContact CG2-CG2 4.04Å; T540-A662 PolarHBondContact OG1-O 3.22Å; T540-F663 WeakPolarHBondContact OG1-CA 3.35Å; T540-S664 PolarHBondContact O-N 2.9Å; T540-S664 PolarHBondContact OG1-N 2.87Å; T540-S664 PolarHBondContact OG1-OG 2.86Å; T540-W665 PolarHBondContact O-N 3.05Å
541L95.1Very high85.6Confident0 Ų054.4 Ų54.40%028%0.283CS..EExtended strand (participates in β ladder)trans-125.1118-177.7-178.369.6000109.5A524 L543 V644 L645 A646 W665 V667A524-L541 HydrophobicContact CB-CD2 4.42Å; L541-L543 HydrophobicContact CD2-CD2 4.24Å; L541-L543 HydrophobicContact CG-CD2 4.35Å; L541-V644 PolarHBondContact N-O 3.46Å; L541-L645 HydrophobicContact CB-CD2 3.86Å; L541-L645 HydrophobicContact CD2-CD2 3.66Å; L541-L645 HydrophobicContact CG-CD2 4.24Å; L541-A646 PolarHBondContact O-N 3.24Å; L541-W665 CarbonylContact C-O 3.57Å; L541-W665 WeakPolarHBondContact CA-O 3.28Å; L541-W665 HydrophobicContact CD1-CB 3.48Å; L541-W665 VanDerWaalsContact CD1-CB 3.48Å; L541-W665 HydrophobicContact CD1-CE3 4.27Å; L541-V667 HydrophobicContact CD1-CG2 3.72Å
542L96.3Very high86.6Confident0 Ų054 Ų540%028%0.28CS..EExtended strand (participates in β ladder)trans-97115175.8-176.165.2000110.5I607 A646 T648 L654 T660 F663 W665 V667L542-I607 HydrophobicContact CD1-CD1 4.29Å; L542-A646 HydrophobicContact CD1-CB 3.56Å; L542-T648 HydrophobicContact CD1-CG2 3.96Å; L542-T648 HydrophobicContact CD2-CG2 4.36Å; L542-T648 HydrophobicContact CG-CG2 4.33Å; L542-L654 HydrophobicContact CD1-CD2 4.34Å; L542-L654 HydrophobicContact CD2-CD2 4.41Å; L542-T660 HydrophobicContact CD2-CG2 4.39Å; L542-F663 HydrophobicContact CB-CB 3.84Å; L542-F663 HydrophobicContact CB-CD1 4.3Å; L542-F663 HydrophobicContact CB-CD2 4.36Å; L542-F663 HydrophobicContact CB-CG 3.91Å; L542-F663 HydrophobicContact CD1-CD2 4.34Å; L542-F663 HydrophobicContact CD1-CE2 4.39Å; L542-F663 HydrophobicContact CD2-CD2 4.23Å; L542-W665 PolarHBondContact N-O 3.19Å; L542-V667 PolarHBondContact O-N 3.03Å
543L95.7Very high87.9Confident0 Ų046.7 Ų46.70%024%0.243CC..EExtended strand (participates in β ladder)trans-87.9105.8167.9-55.8-175.6000108.9L541 K551 L554 A555 I558 A646 T647 T648 V667 V669L541-L543 HydrophobicContact CD2-CD2 4.24Å; L541-L543 HydrophobicContact CG-CD2 4.35Å; L543-K551 HydrophobicContact CB-CB 4.38Å; L543-K551 WeakPolarHBondContact CD1-O 3.06Å; L543-L554 HydrophobicContact CD1-CB 4.06Å; L543-A555 HydrophobicContact CD1-CB 3.8Å; L543-I558 HydrophobicContact CD1-CD1 4.48Å; L543-A646 PolarHBondContact N-O 3.44Å; L543-T647 HydrophobicContact CB-CG2 4.37Å; L543-T647 HydrophobicContact CD1-CG2 4.46Å; L543-T647 WeakPolarHBondContact O-CA 3.37Å; L543-T648 PolarHBondContact O-N 3.08Å; L543-V667 WeakPolarHBondContact CA-O 3.45Å; L543-V667 HydrophobicContact CD2-CB 3.84Å; L543-V667 HydrophobicContact CD2-CG1 4.08Å; L543-V669 HydrophobicContact CB-CG2 4.45Å
544E94.9Very high89Confident6 Ų641.9 Ų41.93%0.02821%0.214CC..EExtended strand (participates in β ladder)trans-113.1151.518058.3174.3-140.600110.9T648 R651 V667 H668 V669E544-T648 HydrophobicContact CB-CG2 3.83Å; E544-R651 VanDerWaalsContact CD-CD 3.48Å; E544-R651 WeakPolarHBondContact OE1-CD 3.36Å; E544-R651 IonicContact OE1-CZ 2.8Å; E544-R651 VanDerWaalsContact OE1-CZ 3.29Å; E544-R651 IonicContact OE1-NE 3.68Å; E544-R651 IonicContact OE1-NH1 2.66Å; E544-R651 PolarHBondContact OE1-NH1 3.03Å; E544-R651 WeakPolarHBondContact OE2-CD 2.9Å; E544-R651 VanDerWaalsContact OE2-CG 3.26Å; E544-R651 WeakPolarHBondContact OE2-CG 3.34Å; E544-R651 IonicContact OE2-CZ 3.22Å; E544-R651 IonicContact OE2-NE 3.66Å; E544-R651 PolarHBondContact OE2-NE 3.22Å; E544-R651 IonicContact OE2-NH1 2.75Å; E544-V667 PolarHBondContact N-O 3.13Å; E544-H668 CarbonylContact O-C 3.52Å; E544-H668 WeakPolarHBondContact O-CA 3.43Å; E544-V669 PolarHBondContact O-N 3.45Å
545G92.8Very high90.3Very high9 Ų935.9 Ų35.99%0.09319%0.186CC..  trans158.6176.3178.400000111.3K551 T648 S649G545-K551 PolarHBondContact O-NZ 2.87Å; G545-T648 PolarHBondContact N-O 3.4Å; G545-S649 VanDerWaalsContact O-CA 3.27Å; G545-S649 WeakPolarHBondContact O-CA 3.2Å
546P92.1Very high91.6Very high36 Ų3632 Ų3223%0.23416%0.162CC..SBendtrans-63.1161.2-173.5-24.936.8000113.9A549 K551 V669 M671P546-A549 WeakPolarHBondContact O-CB 3.12Å; P546-A549 PolarHBondContact O-N 2.87Å; P546-K551 PolarHBondContact O-NZ 2.78Å; P546-V669 WeakPolarHBondContact CD-O 3.27Å; P546-M671 HydrophobicContact CB-CE 3.21Å; P546-M671 HydrophobicContact CB-CG 3.94Å; P546-M671 HydrophobicContact CB-SD 3.8Å; P546-M671 HydrophobicContact CG-CE 4.03Å; P546-M671 HydrophobicContact CG-CG 3.88Å; P546-M671 HydrophobicContact CG-SD 3.93Å
547P90.5Very high92.4Very high76 Ų7627.2 Ų27.249%0.49414%0.144SC..THydrogen-bonded Turntrans-53.8147.9172.8-23.332.6000111.6A549P547-A549 PolarHBondContact O-N 3.4Å; P547-A549 VanDerWaalsContact O-N 3.12Å
548K89.8Confident92.9Very high102 Ų10219 Ų1944%0.44311%0.114SC..THydrogen-bonded Turntrans62.412.2178-55.6-173.3-176.5-173.50116.3G550 G708 I709 K710 H711K548-G550 VanDerWaalsContact C-N 3.28Å; K548-G550 PolarHBondContact O-N 3.23Å; K548-G708 CarbonylContact O-C 3.31Å; K548-I709 PolarHBondContact O-N 2.94Å; K548-K710 HydrophobicContact CB-CB 4.09Å; K548-K710 WeakPolarHBondContact O-CB 2.97Å; K548-K710 PolarHBondContact O-N 3.22Å; K548-H711 HydrophobicContact CB-CB 4.42Å; K548-H711 HydrophobicContact CD-CB 3.81Å; K548-H711 PolarHBondContact NZ-ND1 3.48Å; K548-H711 VanDerWaalsContact NZ-ND1 3.19Å
549A91.9Very high93Very high3 Ų318.6 Ų18.63%0.02511%0.111CC..SBendtrans-74.8-5.4176.100000115.4P546 P547 V669 I709P546-A549 WeakPolarHBondContact O-CB 3.12Å; P546-A549 PolarHBondContact O-N 2.87Å; P547-A549 PolarHBondContact O-N 3.4Å; P547-A549 VanDerWaalsContact O-N 3.12Å; A549-V669 HydrophobicContact CB-CG1 4.07Å; A549-I709 WeakPolarHBondContact O-CG2 3.33Å
550G92Very high92.8Very high21 Ų2124.4 Ų24.422%0.21613%0.13CC..SBendtrans91.613.8177.500000115.8K548 T552 A553 L554K548-G550 VanDerWaalsContact C-N 3.28Å; K548-G550 PolarHBondContact O-N 3.23Å; G550-T552 PolarHBondContact O-N 2.85Å; G550-A553 WeakPolarHBondContact O-CB 3.46Å; G550-A553 PolarHBondContact O-N 2.74Å; G550-A553 VanDerWaalsContact O-N 3.12Å; G550-L554 PolarHBondContact O-N 2.96Å
551K93.7Very high92.5Very high9 Ų928.3 Ų28.34%0.03915%0.151CC..Hα-helixtrans-53-45.3-178.6-55.4176.9-65.6-105.40114.1L543 G545 P546 A553 L554 A555 T647 T648 S649 V669L543-K551 HydrophobicContact CB-CB 4.38Å; L543-K551 WeakPolarHBondContact CD1-O 3.06Å; G545-K551 PolarHBondContact O-NZ 2.87Å; P546-K551 PolarHBondContact O-NZ 2.78Å; K551-A553 PolarHBondContact O-N 2.65Å; K551-L554 PolarHBondContact O-N 2.88Å; K551-A555 PolarHBondContact O-N 3.49Å; K551-T647 HydrophobicContact CB-CG2 4.23Å; K551-T648 WeakPolarHBondContact CD-O 3.43Å; K551-T648 VanDerWaalsContact CE-C 3.48Å; K551-T648 WeakPolarHBondContact CE-O 3.02Å; K551-T648 PolarHBondContact NZ-O 3.36Å; K551-S649 PolarHBondContact NZ-OG 2.77Å; K551-V669 HydrophobicContact CG-CB 4.01Å; K551-V669 HydrophobicContact CG-CG1 4.33Å; K551-V669 HydrophobicContact CG-CG2 4.08Å
552T93.4Very high92.1Very high38 Ų3829 Ų2923%0.23316%0.156CC..Hα-helixtrans-62.1-43.2178.5-47.80000111.6Y502 G550 L554 A555 V556 I569 D605Y502-T552 HydrophobicContact CD1-CG2 3.95Å; Y502-T552 HydrophobicContact CG-CG2 4.37Å; G550-T552 PolarHBondContact O-N 2.85Å; T552-L554 VanDerWaalsContact C-N 3.35Å; T552-A555 PolarHBondContact O-N 3.22Å; T552-V556 VanDerWaalsContact O-CG2 3.31Å; T552-V556 WeakPolarHBondContact O-CG2 3.46Å; T552-V556 PolarHBondContact O-N 2.76Å; T552-I569 HydrophobicContact CG2-CD1 4.41Å; T552-D605 WeakPolarHBondContact CB-OD1 3.48Å; T552-D605 HydrophobicContact CG2-CB 4.43Å; T552-D605 VanDerWaalsContact CG2-CG 3.49Å; T552-D605 WeakPolarHBondContact CG2-OD1 3.23Å; T552-D605 PolarHBondContact OG1-OD1 2.9Å
553A93.1Very high91.6Very high18 Ų1830.8 Ų30.815%0.14917%0.174CC..Hα-helixtrans-63.9-41.817700000111A503 I507 G550 K551 V556 E557A503-A553 HydrophobicContact CB-CB 4.04Å; I507-A553 HydrophobicContact CD1-CB 3.8Å; G550-A553 WeakPolarHBondContact O-CB 3.46Å; G550-A553 PolarHBondContact O-N 2.74Å; G550-A553 VanDerWaalsContact O-N 3.12Å; K551-A553 PolarHBondContact O-N 2.65Å; A553-V556 PolarHBondContact O-N 3.13Å; A553-E557 WeakPolarHBondContact O-CB 3.33Å; A553-E557 PolarHBondContact O-N 2.86Å
554L93.4Very high91.1Very high7 Ų731.3 Ų31.34%0.03718%0.177CC..Hα-helixtrans-62.2-45175-71.4170.7000112.5I507 V514 A517 L518 L543 G550 K551 T552 V556 E557 I558 V669I507-L554 HydrophobicContact CD1-CD2 4.19Å; I507-L554 HydrophobicContact CG2-CD2 4.03Å; V514-L554 HydrophobicContact CG1-CD2 4.09Å; A517-L554 HydrophobicContact CB-CD1 4.31Å; L518-L554 HydrophobicContact CD2-CD2 4.2Å; L518-L554 HydrophobicContact CG-CD2 4.33Å; L543-L554 HydrophobicContact CD1-CB 4.06Å; G550-L554 PolarHBondContact O-N 2.96Å; K551-L554 PolarHBondContact O-N 2.88Å; T552-L554 VanDerWaalsContact C-N 3.35Å; L554-V556 VanDerWaalsContact C-N 3.29Å; L554-V556 PolarHBondContact O-N 3.35Å; L554-E557 PolarHBondContact O-N 3Å; L554-I558 VanDerWaalsContact O-CG1 3.25Å; L554-I558 WeakPolarHBondContact O-CG1 3.43Å; L554-I558 PolarHBondContact O-N 3.4Å; L554-V669 HydrophobicContact CD1-CB 4.4Å; L554-V669 HydrophobicContact CD1-CG1 3.65Å; L554-V669 HydrophobicContact CD1-CG2 3.77Å
555A94.3Very high90.3Very high0 Ų032.6 Ų32.60%019%0.185CC..Hα-helixtrans-59.2-42.8176.100000111.6L543 K551 T552 A559 I603 L645 T647L543-A555 HydrophobicContact CD1-CB 3.8Å; K551-A555 PolarHBondContact O-N 3.49Å; T552-A555 PolarHBondContact O-N 3.22Å; A555-A559 WeakPolarHBondContact O-CB 3.43Å; A555-A559 PolarHBondContact O-N 3.41Å; A555-I603 HydrophobicContact CB-CG2 3.93Å; A555-L645 HydrophobicContact CB-CB 4.27Å; A555-L645 VanDerWaalsContact O-CD1 3.25Å; A555-L645 WeakPolarHBondContact O-CD1 3.27Å; A555-T647 HydrophobicContact CB-CG2 3.86Å
556V92.8Very high89.9Confident4 Ų432.7 Ų32.72%0.02418%0.183CC..Hα-helixtrans-65.9-40.8177.9168.90000111.4L499 Y502 T552 A553 L554 A559 R560 I569 I603L499-V556 HydrophobicContact CB-CG1 3.97Å; L499-V556 HydrophobicContact CD2-CG1 4.18Å; L499-V556 HydrophobicContact CD2-CG2 4.34Å; Y502-V556 HydrophobicContact CD2-CG2 4.32Å; Y502-V556 HydrophobicContact CG-CG2 4.28Å; T552-V556 VanDerWaalsContact O-CG2 3.31Å; T552-V556 WeakPolarHBondContact O-CG2 3.46Å; T552-V556 PolarHBondContact O-N 2.76Å; A553-V556 PolarHBondContact O-N 3.13Å; L554-V556 VanDerWaalsContact C-N 3.29Å; L554-V556 PolarHBondContact O-N 3.35Å; V556-A559 PolarHBondContact O-N 2.89Å; V556-R560 WeakPolarHBondContact O-CB 3.38Å; V556-R560 PolarHBondContact O-N 2.99Å; V556-I569 HydrophobicContact CG2-CD1 4.38Å; V556-I603 HydrophobicContact CB-CD1 4.44Å; V556-I603 HydrophobicContact CG2-CD1 3.78Å
557E90.9Very high89.8Confident22 Ų2231.2 Ų31.210%0.10317%0.174CC..Hα-helixtrans-67.6-42.6177.7-175.362.5-170.900112.2I507 L518 A553 L554 A559 R560 L561I507-E557 HydrophobicContact CD1-CB 4.11Å; I507-E557 HydrophobicContact CG1-CB 3.58Å; I507-E557 HydrophobicContact CG1-CG 3.61Å; L518-E557 HydrophobicContact CD2-CG 4.14Å; A553-E557 WeakPolarHBondContact O-CB 3.33Å; A553-E557 PolarHBondContact O-N 2.86Å; L554-E557 PolarHBondContact O-N 3Å; E557-A559 VanDerWaalsContact C-N 3.27Å; E557-A559 PolarHBondContact O-N 2.82Å; E557-R560 VanDerWaalsContact CD-NH2 3.35Å; E557-R560 PolarHBondContact O-N 3.17Å; E557-R560 IonicContact OE1-CZ 3.9Å; E557-R560 IonicContact OE1-NE 3.01Å; E557-R560 IonicContact OE1-NH2 3.98Å; E557-R560 PolarHBondContact OE1-NH2 3.18Å; E557-R560 IonicContact OE2-CZ 3.85Å; E557-R560 IonicContact OE2-NE 3.77Å; E557-R560 PolarHBondContact OE2-NE 2.91Å; E557-R560 IonicContact OE2-NH2 2.71Å; E557-R560 PolarHBondContact OE2-NH2 2.86Å; E557-L561 HydrophobicContact CG-CD1 4.03Å; E557-L561 HydrophobicContact CG-CG 4.32Å; E557-L561 WeakPolarHBondContact O-CB 3.4Å; E557-L561 WeakPolarHBondContact O-CG 3.35Å; E557-L561 PolarHBondContact O-N 3.29Å
558I92.7Very high89.8Confident4 Ų430.3 Ų30.32%0.02116%0.162CC..Hα-helixtrans-58.9-43.3173.9-66.2164.3000110L518 V525 L543 L554 S562 L645L518-I558 HydrophobicContact CD2-CG1 4.18Å; V525-I558 HydrophobicContact CG2-CG2 4.16Å; L543-I558 HydrophobicContact CD1-CD1 4.48Å; L554-I558 VanDerWaalsContact O-CG1 3.25Å; L554-I558 WeakPolarHBondContact O-CG1 3.43Å; L554-I558 PolarHBondContact O-N 3.4Å; I558-S562 PolarHBondContact O-N 3.38Å; I558-L645 HydrophobicContact CB-CD1 4.12Å; I558-L645 HydrophobicContact CG2-CD1 3.97Å; I558-L645 HydrophobicContact CG2-CD2 4.24Å
559A91.5Very high89.8Confident1 Ų125.6 Ų25.61%0.00814%0.141CC..Hα-helixtrans-64.8-39.8177.300000112.4A555 V556 E557 S562 V567 V601 I603 L645A555-A559 WeakPolarHBondContact O-CB 3.43Å; A555-A559 PolarHBondContact O-N 3.41Å; V556-A559 PolarHBondContact O-N 2.89Å; E557-A559 VanDerWaalsContact C-N 3.27Å; E557-A559 PolarHBondContact O-N 2.82Å; A559-S562 WeakPolarHBondContact O-CB 3.47Å; A559-S562 PolarHBondContact O-N 3.32Å; A559-S562 PolarHBondContact O-OG 2.92Å; A559-V567 HydrophobicContact CB-CG1 3.67Å; A559-V601 HydrophobicContact CB-CB 4.31Å; A559-V601 HydrophobicContact CB-CG1 3.78Å; A559-I603 HydrophobicContact CB-CD1 3.79Å; A559-I603 HydrophobicContact CB-CG1 4.28Å; A559-L645 HydrophobicContact CB-CD1 4.09Å
560R87.3Confident89.9Confident154 Ų15425.5 Ų25.558%0.58114%0.141SC*.Hα-helixtrans-64.7-48.1176.4-169.8179.174.3110.22111.6V556 E557 S562 G563V556-R560 WeakPolarHBondContact O-CB 3.38Å; V556-R560 PolarHBondContact O-N 2.99Å; E557-R560 VanDerWaalsContact CD-NH2 3.35Å; E557-R560 PolarHBondContact O-N 3.17Å; E557-R560 IonicContact OE1-CZ 3.9Å; E557-R560 IonicContact OE1-NE 3.01Å; E557-R560 IonicContact OE1-NH2 3.98Å; E557-R560 PolarHBondContact OE1-NH2 3.18Å; E557-R560 IonicContact OE2-CZ 3.85Å; E557-R560 IonicContact OE2-NE 3.77Å; E557-R560 PolarHBondContact OE2-NE 2.91Å; E557-R560 IonicContact OE2-NH2 2.71Å; E557-R560 PolarHBondContact OE2-NH2 2.86Å; R560-S562 PolarHBondContact O-N 2.87Å; R560-G563 PolarHBondContact O-N 2.83Å
561L87.6Confident89.8Confident85 Ų8524.5 Ų24.545%0.44513%0.131SC..Hα-helixtrans-65.1-23.3178.5-69.2175.4000113E557 G563E557-L561 HydrophobicContact CG-CD1 4.03Å; E557-L561 HydrophobicContact CG-CG 4.32Å; E557-L561 WeakPolarHBondContact O-CB 3.4Å; E557-L561 WeakPolarHBondContact O-CG 3.35Å; E557-L561 PolarHBondContact O-N 3.29Å; L561-G563 PolarHBondContact O-N 3.35Å
562S88.4Confident89.6Confident14 Ų1425.4 Ų25.410%0.09814%0.138CC..THydrogen-bonded Turntrans-59.3-30.4176.679.40000113.3I558 A559 R560 F564I558-S562 PolarHBondContact O-N 3.38Å; A559-S562 WeakPolarHBondContact O-CB 3.47Å; A559-S562 PolarHBondContact O-N 3.32Å; A559-S562 PolarHBondContact O-OG 2.92Å; R560-S562 PolarHBondContact O-N 2.87Å; S562-F564 VanDerWaalsContact O-CD1 3.27Å; S562-F564 WeakPolarHBondContact O-CD1 3.37Å; S562-F564 PolarHBondContact O-N 3.13Å; S562-F564 VanDerWaalsContact O-N 3.12Å; S562-F564 WeakPolarHBondContact OG-CB 3.49Å; S562-F564 WeakPolarHBondContact OG-CG 3.32Å; S562-F564 PolarHBondContact OG-N 3.01Å; S562-F564 VanDerWaalsContact OG-N 3.15Å
563G84.3Confident89.3Confident38 Ų3827.6 Ų27.639%0.39215%0.145SC..  trans6114.8-173.200000113.9K434 R560 L561K434-G563 PolarHBondContact NZ-O 3.07Å; R560-G563 PolarHBondContact O-N 2.83Å; L561-G563 PolarHBondContact O-N 3.35Å
564F86.7Confident89Confident11 Ų1130.8 Ų30.85%0.04816%0.156CC..  trans-66.6144.7-179.9-72.12.2000110.4V525 V528 K529 S562 F566 L599 V601 L643V525-F564 HydrophobicContact CG1-CE1 3.98Å; V525-F564 HydrophobicContact CG1-CZ 4.01Å; V528-F564 HydrophobicContact CB-CE2 4.12Å; V528-F564 HydrophobicContact CB-CZ 4Å; V528-F564 HydrophobicContact CG1-CE2 3.61Å; V528-F564 HydrophobicContact CG1-CZ 3.8Å; K529-F564 HydrophobicContact CB-CE1 4.28Å; K529-F564 HydrophobicContact CB-CZ 4.47Å; S562-F564 VanDerWaalsContact O-CD1 3.27Å; S562-F564 WeakPolarHBondContact O-CD1 3.37Å; S562-F564 PolarHBondContact O-N 3.13Å; S562-F564 VanDerWaalsContact O-N 3.12Å; S562-F564 WeakPolarHBondContact OG-CB 3.49Å; S562-F564 WeakPolarHBondContact OG-CG 3.32Å; S562-F564 PolarHBondContact OG-N 3.01Å; S562-F564 VanDerWaalsContact OG-N 3.15Å; F564-F566 PolarHBondContact O-N 3.49Å; F564-L599 HydrophobicContact CB-CB 4.29Å; F564-L599 HydrophobicContact CD1-CB 4.19Å; F564-L599 HydrophobicContact CD1-CD1 4.11Å; F564-L599 HydrophobicContact CD2-CB 4.19Å; F564-L599 HydrophobicContact CE1-CD1 4.16Å; F564-L599 HydrophobicContact CG-CB 3.97Å; F564-V601 HydrophobicContact CB-CG2 4.1Å; F564-V601 HydrophobicContact CD2-CG2 3.37Å; F564-V601 HydrophobicContact CE2-CG2 4.08Å; F564-V601 HydrophobicContact CG-CG2 4.06Å; F564-L643 HydrophobicContact CE2-CB 4.38Å
565P77.7Confident88.8Confident32 Ų3230.8 Ų30.821%0.20816%0.155CC..SBendtrans-60.2-44.2-177.5-2231.8000112.8N435 L599N435-P565 PolarHBondContact ND2-O 2.92Å; N435-P565 WeakPolarHBondContact OD1-CB 3.43Å; P565-L599 WeakPolarHBondContact CD-O 3.36Å
566F85Confident88.5Confident11 Ų1137.3 Ų37.35%0.04819%0.189CC..EExtended strand (participates in β ladder)trans-105.9120.5-177.3-174.8-85.5000111.3F564 K568 D593 G594 L599 S600 V601F564-F566 PolarHBondContact O-N 3.49Å; F566-K568 HydrophobicContact CE1-CB 3.73Å; F566-K568 HydrophobicContact CZ-CB 3.91Å; F566-D593 HydrophobicContact CE2-CB 4.2Å; F566-D593 HydrophobicContact CZ-CB 4.07Å; F566-G594 VanDerWaalsContact CE1-CA 3.47Å; F566-L599 PolarHBondContact N-O 3.04Å; F566-S600 CarbonylContact O-C 3.56Å; F566-S600 WeakPolarHBondContact O-CA 3.46Å; F566-V601 PolarHBondContact O-N 2.74Å
567V89Confident88.3Confident6 Ų641 Ų414%0.03623%0.228CC..EExtended strand (participates in β ladder)trans-130.6125.7169.9-175.70000108.8A494 L499 A559 V601 I603A494-V567 VanDerWaalsContact CA-O 3.31Å; A494-V567 WeakPolarHBondContact CA-O 3.44Å; A494-V567 HydrophobicContact CB-CB 3.72Å; A494-V567 HydrophobicContact CB-CG2 4.15Å; A494-V567 PolarHBondContact N-O 3.27Å; L499-V567 HydrophobicContact CD1-CB 4.23Å; L499-V567 HydrophobicContact CD1-CG1 3.86Å; L499-V567 HydrophobicContact CD2-CG1 4.17Å; A559-V567 HydrophobicContact CB-CG1 3.67Å; V567-V601 WeakPolarHBondContact CA-O 3.37Å; V567-V601 HydrophobicContact CG1-CB 4.34Å; V567-V601 HydrophobicContact CG2-CB 4.23Å; V567-V601 HydrophobicContact CG2-CG2 4.41Å; V567-I603 HydrophobicContact CG1-CD1 4.47Å
568K89.6Confident88.2Confident56 Ų5644.3 Ų44.324%0.24324%0.242CC..EExtended strand (participates in β ladder)trans-139.7142.5174.7-155.466.3174.5167.40111.5E498 F566 I590 V601 V602 I603E498-K568 IonicContact OE1-NZ 3.07Å; E498-K568 PolarHBondContact OE1-NZ 3Å; E498-K568 IonicContact OE2-NZ 2.94Å; E498-K568 PolarHBondContact OE2-NZ 3.39Å; F566-K568 HydrophobicContact CE1-CB 3.73Å; F566-K568 HydrophobicContact CZ-CB 3.91Å; K568-I590 HydrophobicContact CB-CG2 3.94Å; K568-I590 HydrophobicContact CG-CG2 3.97Å; K568-V601 PolarHBondContact N-O 3.1Å; K568-V602 WeakPolarHBondContact O-CA 3.18Å; K568-I603 PolarHBondContact O-N 3.39Å
569I91.3Very high88.2Confident3 Ų348.6 Ų48.62%0.01527%0.269CS..EExtended strand (participates in β ladder)trans-104.2126.2176.7-170165.3000111Y502 T552 V556 T571 I603 D605Y502-I569 HydrophobicContact CD1-CD1 4.21Å; Y502-I569 HydrophobicContact CD2-CD1 4.06Å; Y502-I569 HydrophobicContact CE1-CD1 3.99Å; Y502-I569 HydrophobicContact CE2-CD1 3.8Å; Y502-I569 HydrophobicContact CE2-CG2 3.78Å; Y502-I569 HydrophobicContact CG-CD1 4.26Å; T552-I569 HydrophobicContact CG2-CD1 4.41Å; V556-I569 HydrophobicContact CG2-CD1 4.38Å; I569-T571 HydrophobicContact CG1-CG2 4.41Å; I569-I603 CarbonylContact C-O 3.58Å; I569-I603 WeakPolarHBondContact CA-O 3.44Å; I569-I603 HydrophobicContact CB-CB 4.24Å; I569-I603 HydrophobicContact CD1-CG2 4.15Å; I569-I603 HydrophobicContact CG1-CB 4.01Å; I569-I603 HydrophobicContact CG1-CG2 4.03Å; I569-D605 HydrophobicContact CD1-CB 3.98Å; I569-D605 HydrophobicContact CG1-CB 4.1Å
570V92.6Very high88.2Confident1 Ų153 Ų531%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-100.4125.6169.8-177.20000106.9M575 M587 I590 V602 I603 D605 L610V570-M575 HydrophobicContact CG1-CE 3.78Å; V570-M587 HydrophobicContact CG1-CG 3.73Å; V570-M587 HydrophobicContact CG1-SD 4.2Å; V570-I590 HydrophobicContact CG2-CB 4.23Å; V570-I590 HydrophobicContact CG2-CD1 3.78Å; V570-I590 HydrophobicContact CG2-CG2 3.81Å; V570-V602 HydrophobicContact CG2-CG1 3.99Å; V570-I603 PolarHBondContact N-O 2.88Å; V570-D605 PolarHBondContact O-N 3.42Å; V570-L610 HydrophobicContact CG1-CD1 4.16Å; V570-L610 HydrophobicContact CG1-CD2 4.45Å
571T91.5Very high88.4Confident1 Ų152.7 Ų52.71%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-160.7145.4-168.5-177.40000109.5I569 H573 K574 D605I569-T571 HydrophobicContact CG1-CG2 4.41Å; T571-H573 VanDerWaalsContact C-N 3.26Å; T571-H573 VanDerWaalsContact CB-CE1 3.48Å; T571-H573 WeakPolarHBondContact CB-CE1 3.25Å; T571-H573 WeakPolarHBondContact CG2-CE1 3.37Å; T571-H573 VanDerWaalsContact CG2-ND1 3.33Å; T571-H573 WeakPolarHBondContact CG2-ND1 3.48Å; T571-H573 WeakPolarHBondContact CG2-NE2 3.31Å; T571-H573 PolarHBondContact O-N 3.06Å; T571-H573 PolarHBondContact OG1-CE1 2.92Å; T571-H573 PolarHBondContact OG1-ND1 3.01Å; T571-K574 HydrophobicContact CG2-CB 4.2Å; T571-K574 HydrophobicContact CG2-CD 3.98Å; T571-K574 HydrophobicContact CG2-CG 3.85Å; T571-K574 PolarHBondContact O-N 3.37Å; T571-D605 PolarHBondContact OG1-OD2 2.81Å
572S89.6Confident88.6Confident27 Ų2750.3 Ų50.319%0.18929%0.289CS..G310 helixtrans-63.2-29.5-172.556.80000113.5K574 M575 I576S572-K574 VanDerWaalsContact C-N 3.32Å; S572-K574 PolarHBondContact O-N 2.91Å; S572-M575 CarbonylContact O-C 3.4Å; S572-M575 PolarHBondContact O-N 3.38Å; S572-M575 VanDerWaalsContact O-N 3.08Å; S572-I576 PolarHBondContact O-N 3.34Å
573H87.1Confident88.7Confident85 Ų8550.3 Ų50.339%0.39429%0.287SS..G310 helixtrans-68.7-26.2-178.765.3-92.2000114Y502 T571 M575 I576Y502-H573 AromaticContact CE1-CE1 3.45Å; Y502-H573 VanDerWaalsContact CE1-CE1 3.45Å; Y502-H573 WeakPolarHBondContact CE1-CE1 3.48Å; Y502-H573 AromaticContact CE1-NE2 3.93Å; Y502-H573 AromaticContact CZ-CE1 3.6Å; Y502-H573 AromaticContact CZ-NE2 3.71Å; Y502-H573 PolarHBondContact OH-CE1 2.83Å; Y502-H573 PolarHBondContact OH-NE2 3.13Å; T571-H573 VanDerWaalsContact C-N 3.26Å; T571-H573 VanDerWaalsContact CB-CE1 3.48Å; T571-H573 WeakPolarHBondContact CB-CE1 3.25Å; T571-H573 WeakPolarHBondContact CG2-CE1 3.37Å; T571-H573 VanDerWaalsContact CG2-ND1 3.33Å; T571-H573 WeakPolarHBondContact CG2-ND1 3.48Å; T571-H573 WeakPolarHBondContact CG2-NE2 3.31Å; T571-H573 PolarHBondContact O-N 3.06Å; T571-H573 PolarHBondContact OG1-CE1 2.92Å; T571-H573 PolarHBondContact OG1-ND1 3.01Å; H573-M575 PolarHBondContact O-N 3.13Å; H573-I576 HydrophobicContact CB-CD1 4.47Å; H573-I576 WeakPolarHBondContact O-CD1 3.23Å; H573-I576 WeakPolarHBondContact O-CG1 3.17Å
574K86.3Confident89.1Confident84 Ų8449.2 Ų49.237%0.36527%0.273SS..G310 helixtrans-79.4-8174.6-69.3-176.2-177.9173.70112.7E498 T571 S572E498-K574 IonicContact OE2-NZ 2.81Å; E498-K574 PolarHBondContact OE2-NZ 3.41Å; T571-K574 HydrophobicContact CG2-CB 4.2Å; T571-K574 HydrophobicContact CG2-CD 3.98Å; T571-K574 HydrophobicContact CG2-CG 3.85Å; T571-K574 PolarHBondContact O-N 3.37Å; S572-K574 VanDerWaalsContact C-N 3.32Å; S572-K574 PolarHBondContact O-N 2.91Å
575M88.4Confident89.3Confident7 Ų751.5 Ų51.53%0.03429%0.294CS..G310 helixtrans-124.224.4-173.2-55.4-174.7-174.700112.5V570 S572 H573 G577 F578 K583 A586 M587 L610V570-M575 HydrophobicContact CG1-CE 3.78Å; S572-M575 CarbonylContact O-C 3.4Å; S572-M575 PolarHBondContact O-N 3.38Å; S572-M575 VanDerWaalsContact O-N 3.08Å; H573-M575 PolarHBondContact O-N 3.13Å; M575-G577 PolarHBondContact O-N 3.34Å; M575-F578 HydrophobicContact CB-CB 4.42Å; M575-F578 HydrophobicContact CB-CD2 4.14Å; M575-F578 HydrophobicContact CB-CG 4.2Å; M575-F578 HydrophobicContact CG-CD2 4.37Å; M575-F578 WeakPolarHBondContact O-CB 3.37Å; M575-F578 PolarHBondContact O-N 3.07Å; M575-K583 HydrophobicContact CB-CG 4.14Å; M575-K583 WeakPolarHBondContact O-CE 3.44Å; M575-K583 HydrophobicContact SD-CB 4.23Å; M575-K583 HydrophobicContact SD-CG 4.19Å; M575-A586 HydrophobicContact CE-CB 3.88Å; M575-A586 HydrophobicContact SD-CB 4.36Å; M575-M587 HydrophobicContact CE-CG 4.04Å; M575-L610 HydrophobicContact SD-CD2 4.32Å
576I88.6Confident89.9Confident137 Ų13751.2 Ų51.270%0.70329%0.294SS*.THydrogen-bonded Turntrans-64130177.7-62.1171.1000109S572 H573 F578S572-I576 PolarHBondContact O-N 3.34Å; H573-I576 HydrophobicContact CB-CD1 4.47Å; H573-I576 WeakPolarHBondContact O-CD1 3.23Å; H573-I576 WeakPolarHBondContact O-CG1 3.17Å; I576-F578 VanDerWaalsContact C-N 3.29Å; I576-F578 PolarHBondContact O-N 3.26Å
577G87.9Confident90.3Very high82 Ų8250.8 Ų50.885%0.84529%0.292SS*.THydrogen-bonded Turntrans81.7-0.6-179.500000115.2M575M575-G577 PolarHBondContact O-N 3.34Å
578F90Very high90.4Very high92 Ų9256 Ų5640%0.40432%0.315SS..  trans-74.5141.8176.6-77.529.6000110.3M575 I576 A582 K583 A586M575-F578 HydrophobicContact CB-CB 4.42Å; M575-F578 HydrophobicContact CB-CD2 4.14Å; M575-F578 HydrophobicContact CB-CG 4.2Å; M575-F578 HydrophobicContact CG-CD2 4.37Å; M575-F578 WeakPolarHBondContact O-CB 3.37Å; M575-F578 PolarHBondContact O-N 3.07Å; I576-F578 VanDerWaalsContact C-N 3.29Å; I576-F578 PolarHBondContact O-N 3.26Å; F578-A582 HydrophobicContact CB-CB 4.04Å; F578-A582 HydrophobicContact CD2-CB 3.95Å; F578-A582 HydrophobicContact CG-CB 4.2Å; F578-K583 HydrophobicContact CB-CG 3.61Å; F578-A586 HydrophobicContact CE2-CB 4.3Å
579T92.7Very high90.3Very high94 Ų9460 Ų6058%0.57733%0.332SS*.  trans-66.3159.1165.763.90000110.3M581 A582 K583T579-M581 PolarHBondContact O-N 2.99Å; T579-A582 PolarHBondContact O-N 2.85Å; T579-A582 WeakPolarHBondContact OG1-CB 3.25Å; T579-A582 PolarHBondContact OG1-N 3.05Å; T579-K583 PolarHBondContact O-N 2.86Å
580E90.7Very high90.2Very high94 Ų9461.2 Ų61.244%0.43934%0.339SS..Hα-helixtrans-53.4-40177.7-59.9175.9118.400111.9K583 C584 S621 F623E580-K583 PolarHBondContact O-N 3.04Å; E580-C584 PolarHBondContact O-N 3.41Å; E580-C584 PolarHBondContact O-SG 3.14Å; E580-S621 WeakPolarHBondContact OE1-CB 3.43Å; E580-S621 PolarHBondContact OE1-OG 2.88Å; E580-F623 HydrophobicContact CB-CD1 4.3Å
581M91Very high90.2Very high146 Ų14661.6 Ų61.672%0.71934%0.34SS*.Hα-helixtrans-66.6-41.7177-167.2176.2-166.800112.3T579 C584 A585T579-M581 PolarHBondContact O-N 2.99Å; M581-C584 PolarHBondContact O-N 3.16Å; M581-A585 WeakPolarHBondContact O-CB 3.33Å; M581-A585 PolarHBondContact O-N 3.41Å
582A91.4Very high89.9Confident36 Ų3664.1 Ų64.130%0.29835%0.353SS..Hα-helixtrans-66.7-38.2176.700000111.9F578 T579 A585 A586F578-A582 HydrophobicContact CB-CB 4.04Å; F578-A582 HydrophobicContact CD2-CB 3.95Å; F578-A582 HydrophobicContact CG-CB 4.2Å; T579-A582 PolarHBondContact O-N 2.85Å; T579-A582 WeakPolarHBondContact OG1-CB 3.25Å; T579-A582 PolarHBondContact OG1-N 3.05Å; A582-A585 PolarHBondContact O-N 3.26Å; A582-A586 WeakPolarHBondContact O-CB 3.34Å; A582-A586 PolarHBondContact O-N 3.47Å
583K92.4Very high89.6Confident14 Ų1464.1 Ų64.16%0.06135%0.351CS..Hα-helixtrans-60.6-48.7172.9-70.4-174.3175.9-179.30111.4M575 F578 T579 E580 A585 A586 M587 E612 I624M575-K583 HydrophobicContact CB-CG 4.14Å; M575-K583 WeakPolarHBondContact O-CE 3.44Å; M575-K583 HydrophobicContact SD-CB 4.23Å; M575-K583 HydrophobicContact SD-CG 4.19Å; F578-K583 HydrophobicContact CB-CG 3.61Å; T579-K583 PolarHBondContact O-N 2.86Å; E580-K583 PolarHBondContact O-N 3.04Å; K583-A585 PolarHBondContact O-N 3.47Å; K583-A586 PolarHBondContact O-N 3.4Å; K583-M587 WeakPolarHBondContact O-CG 3.5Å; K583-M587 PolarHBondContact O-N 3.32Å; K583-E612 IonicContact NZ-OE1 3.53Å; K583-E612 PolarHBondContact NZ-OE1 3.29Å; K583-I624 HydrophobicContact CB-CD1 4.22Å; K583-I624 HydrophobicContact CD-CD1 3.69Å
584C92.5Very high89.5Confident14 Ų1460.1 Ų60.110%0.09533%0.333CS..Hα-helixtrans-62.3-41.9178.3-66.10000112.4E580 M581 A586 M587 K588 F623 A627E580-C584 PolarHBondContact O-N 3.41Å; E580-C584 PolarHBondContact O-SG 3.14Å; M581-C584 PolarHBondContact O-N 3.16Å; C584-A586 VanDerWaalsContact C-N 3.35Å; C584-A586 PolarHBondContact O-N 3.25Å; C584-M587 PolarHBondContact O-N 3.38Å; C584-K588 VanDerWaalsContact O-CB 3.29Å; C584-K588 WeakPolarHBondContact O-CB 3.42Å; C584-K588 PolarHBondContact O-N 3.46Å; C584-F623 HydrophobicContact CB-CD1 4.29Å; C584-F623 HydrophobicContact CB-CE1 3.8Å; C584-F623 WeakPolarHBondContact SG-CD1 3.23Å; C584-F623 WeakPolarHBondContact SG-CE1 3.31Å; C584-A627 HydrophobicContact CB-CB 4.29Å
585A90Very high89.5Confident60 Ų6057 Ų5750%0.49632%0.323SS..Hα-helixtrans-62.9-40.3175.800000112.3M581 A582 K583 K589M581-A585 WeakPolarHBondContact O-CB 3.33Å; M581-A585 PolarHBondContact O-N 3.41Å; A582-A585 PolarHBondContact O-N 3.26Å; K583-A585 PolarHBondContact O-N 3.47Å; A585-K589 WeakPolarHBondContact O-CB 3.47Å; A585-K589 PolarHBondContact O-N 3.42Å
586A90.6Very high88.9Confident25 Ų2560.6 Ų60.621%0.20734%0.339CS..Hα-helixtrans-66.1-44176.600000112.2M575 F578 A582 K583 C584 K589 I590M575-A586 HydrophobicContact CE-CB 3.88Å; M575-A586 HydrophobicContact SD-CB 4.36Å; F578-A586 HydrophobicContact CE2-CB 4.3Å; A582-A586 WeakPolarHBondContact O-CB 3.34Å; A582-A586 PolarHBondContact O-N 3.47Å; K583-A586 PolarHBondContact O-N 3.4Å; C584-A586 VanDerWaalsContact C-N 3.35Å; C584-A586 PolarHBondContact O-N 3.25Å; A586-K589 PolarHBondContact O-N 3.19Å; A586-I590 WeakPolarHBondContact O-CG1 3.49Å; A586-I590 PolarHBondContact O-N 2.94Å
587M92.7Very high88.5Confident2 Ų254.6 Ų54.61%0.0131%0.308CS..Hα-helixtrans-61.4-49.9174.3-67.3-168.6-6200111.1V570 M575 K583 C584 K589 I590 F591 I624 A627 I628 L631V570-M587 HydrophobicContact CG1-CG 3.73Å; V570-M587 HydrophobicContact CG1-SD 4.2Å; M575-M587 HydrophobicContact CE-CG 4.04Å; K583-M587 WeakPolarHBondContact O-CG 3.5Å; K583-M587 PolarHBondContact O-N 3.32Å; C584-M587 PolarHBondContact O-N 3.38Å; M587-K589 VanDerWaalsContact C-N 3.28Å; M587-K589 PolarHBondContact O-N 3.27Å; M587-I590 PolarHBondContact O-N 3.49Å; M587-F591 WeakPolarHBondContact O-CD2 3.4Å; M587-F591 PolarHBondContact O-N 2.79Å; M587-I624 HydrophobicContact CE-CG2 3.89Å; M587-A627 HydrophobicContact CE-CB 4.15Å; M587-I628 HydrophobicContact CE-CG1 4.14Å; M587-I628 HydrophobicContact SD-CG1 4.05Å; M587-L631 HydrophobicContact CB-CD1 3.81Å
588K91.9Very high88.1Confident116 Ų11654.3 Ų54.350%0.50429%0.292SS..Hα-helixtrans-54.7-45.1178.1-179.6176.5178.6179.60111.6C584 I590 F591 D592 L631C584-K588 VanDerWaalsContact O-CB 3.29Å; C584-K588 WeakPolarHBondContact O-CB 3.42Å; C584-K588 PolarHBondContact O-N 3.46Å; K588-I590 VanDerWaalsContact C-N 3.33Å; K588-I590 PolarHBondContact O-N 3.33Å; K588-F591 PolarHBondContact O-N 3.35Å; K588-D592 WeakPolarHBondContact O-CB 3.33Å; K588-D592 PolarHBondContact O-N 2.55Å; K588-L631 HydrophobicContact CB-CD2 4.34Å; K588-L631 HydrophobicContact CG-CD2 4.44Å
589K87.5Confident88Confident139 Ų13951.1 Ų51.160%0.60428%0.279SS*.Hα-helixtrans-56.6-45.4176-175.5-174.6176.4-172.90112.1A585 A586 M587 D592 D593A585-K589 WeakPolarHBondContact O-CB 3.47Å; A585-K589 PolarHBondContact O-N 3.42Å; A586-K589 PolarHBondContact O-N 3.19Å; M587-K589 VanDerWaalsContact C-N 3.28Å; M587-K589 PolarHBondContact O-N 3.27Å; K589-D592 PolarHBondContact O-N 2.79Å; K589-D593 WeakPolarHBondContact O-CB 3.41Å; K589-D593 PolarHBondContact O-N 2.93Å
590I89.5Confident87.9Confident30 Ų3046.7 Ų46.715%0.15425%0.252CS..Hα-helixtrans-65.3-41.7-179.5-67.6167.7000111.2K568 V570 A586 M587 K588 D593 G594 V602K568-I590 HydrophobicContact CB-CG2 3.94Å; K568-I590 HydrophobicContact CG-CG2 3.97Å; V570-I590 HydrophobicContact CG2-CB 4.23Å; V570-I590 HydrophobicContact CG2-CD1 3.78Å; V570-I590 HydrophobicContact CG2-CG2 3.81Å; A586-I590 WeakPolarHBondContact O-CG1 3.49Å; A586-I590 PolarHBondContact O-N 2.94Å; M587-I590 PolarHBondContact O-N 3.49Å; K588-I590 VanDerWaalsContact C-N 3.33Å; K588-I590 PolarHBondContact O-N 3.33Å; I590-D593 PolarHBondContact O-N 3.46Å; I590-G594 PolarHBondContact O-N 3.44Å; I590-V602 HydrophobicContact CG2-CG1 4.2Å
591F91.6Very high88Confident8 Ų842.2 Ų42.24%0.03523%0.231CC..Hα-helixtrans-67.1-43.4175.6-86.3-99.9000112M587 K588 D593 G594 A595 V602 V604 L631 M642 V644M587-F591 WeakPolarHBondContact O-CD2 3.4Å; M587-F591 PolarHBondContact O-N 2.79Å; K588-F591 PolarHBondContact O-N 3.35Å; F591-D593 VanDerWaalsContact C-N 3.3Å; F591-D593 PolarHBondContact O-N 3.43Å; F591-G594 PolarHBondContact O-N 2.91Å; F591-A595 VanDerWaalsContact O-CB 3.26Å; F591-A595 WeakPolarHBondContact O-CB 3.32Å; F591-A595 PolarHBondContact O-N 3.01Å; F591-V602 HydrophobicContact CD2-CG1 4.24Å; F591-V602 HydrophobicContact CE2-CG1 3.78Å; F591-V602 HydrophobicContact CZ-CG1 3.94Å; F591-V604 HydrophobicContact CE2-CG2 4.26Å; F591-V604 HydrophobicContact CZ-CG2 4.11Å; F591-L631 HydrophobicContact CB-CD2 3.93Å; F591-L631 HydrophobicContact CD1-CB 3.96Å; F591-L631 HydrophobicContact CD2-CB 4.18Å; F591-L631 HydrophobicContact CD2-CD1 3.92Å; F591-L631 HydrophobicContact CD2-CD2 4.43Å; F591-L631 HydrophobicContact CD2-CG 4.41Å; F591-L631 HydrophobicContact CE1-CB 3.98Å; F591-L631 HydrophobicContact CE2-CB 4.2Å; F591-L631 HydrophobicContact CE2-CD1 4.18Å; F591-L631 HydrophobicContact CG-CB 4.06Å; F591-L631 HydrophobicContact CG-CD1 4.39Å; F591-L631 HydrophobicContact CG-CD2 4.08Å; F591-L631 HydrophobicContact CG-CG 4.4Å; F591-L631 HydrophobicContact CZ-CB 4.1Å; F591-M642 HydrophobicContact CD1-SD 3.91Å; F591-M642 HydrophobicContact CE1-SD 4.15Å; F591-V644 HydrophobicContact CE1-CG2 3.97Å; F591-V644 HydrophobicContact CZ-CG1 4.37Å; F591-V644 HydrophobicContact CZ-CG2 4.43Å
592D86.4Confident88.2Confident54 Ų5435.3 Ų35.329%0.28920%0.197SC..Hα-helixtrans-62.4-37.4175.9-75.5-22.5000111.5K588 K589 K596K588-D592 WeakPolarHBondContact O-CB 3.33Å; K588-D592 PolarHBondContact O-N 2.55Å; K589-D592 PolarHBondContact O-N 2.79Å; D592-K596 WeakPolarHBondContact O-CE 3.35Å; D592-K596 WeakPolarHBondContact O-CG 3.49Å; D592-K596 PolarHBondContact O-N 3.02Å
593D82.9Confident88.3Confident28 Ų2833.6 Ų33.615%0.1518%0.182CC..Hα-helixtrans-69.8-43174.7-72.4-22.6000111.8F566 K589 I590 F591 A595 K596F566-D593 HydrophobicContact CE2-CB 4.2Å; F566-D593 HydrophobicContact CZ-CB 4.07Å; K589-D593 WeakPolarHBondContact O-CB 3.41Å; K589-D593 PolarHBondContact O-N 2.93Å; I590-D593 PolarHBondContact O-N 3.46Å; F591-D593 VanDerWaalsContact C-N 3.3Å; F591-D593 PolarHBondContact O-N 3.43Å; D593-A595 VanDerWaalsContact C-N 3.31Å; D593-A595 PolarHBondContact O-N 3.3Å; D593-K596 WeakPolarHBondContact O-CB 3.38Å; D593-K596 PolarHBondContact O-N 3.26Å; D593-K596 VanDerWaalsContact O-N 3.11Å; D593-K596 IonicContact OD1-NZ 3.77Å; D593-K596 PolarHBondContact OD1-NZ 3.35Å
594G85.3Confident88.5Confident0 Ų033 Ų330%018%0.18CC..Hα-helixtrans-61.4-39.5173.500000112.4F566 I590 F591 K596 S597 S600F566-G594 VanDerWaalsContact CE1-CA 3.47Å; I590-G594 PolarHBondContact O-N 3.44Å; F591-G594 PolarHBondContact O-N 2.91Å; G594-K596 PolarHBondContact O-N 3.26Å; G594-K596 VanDerWaalsContact O-N 3.13Å; G594-S597 PolarHBondContact O-N 3.35Å; G594-S597 VanDerWaalsContact O-N 3.08Å; G594-S600 WeakPolarHBondContact O-CB 3.49Å; G594-S600 PolarHBondContact O-OG 3.3Å
595A84.7Confident88.6Confident20 Ų2032.9 Ų32.917%0.16518%0.178CC..THydrogen-bonded Turntrans-69.6-4.5176.600000113.6F591 D593 L636 R640 M642F591-A595 VanDerWaalsContact O-CB 3.26Å; F591-A595 WeakPolarHBondContact O-CB 3.32Å; F591-A595 PolarHBondContact O-N 3.01Å; D593-A595 VanDerWaalsContact C-N 3.31Å; D593-A595 PolarHBondContact O-N 3.3Å; A595-L636 HydrophobicContact CB-CD2 3.77Å; A595-R640 WeakPolarHBondContact O-CD 3.49Å; A595-R640 PolarHBondContact O-NH1 3.32Å; A595-M642 HydrophobicContact CB-CE 4.22Å
596K76.8Confident88.7Confident82 Ų8232.4 Ų32.436%0.35717%0.168SC..THydrogen-bonded Turntrans-87.1-25.4169.7-67162.9-162.5164.90112.8D592 D593 G594D592-K596 WeakPolarHBondContact O-CE 3.35Å; D592-K596 WeakPolarHBondContact O-CG 3.49Å; D592-K596 PolarHBondContact O-N 3.02Å; D593-K596 WeakPolarHBondContact O-CB 3.38Å; D593-K596 PolarHBondContact O-N 3.26Å; D593-K596 VanDerWaalsContact O-N 3.11Å; D593-K596 IonicContact OD1-NZ 3.77Å; D593-K596 PolarHBondContact OD1-NZ 3.35Å; G594-K596 PolarHBondContact O-N 3.26Å; G594-K596 VanDerWaalsContact O-N 3.13Å
597S79.9Confident88.9Confident10 Ų1031.2 Ų31.27%0.0716%0.158CC..SBendtrans-80.3146.4179.6-165.30000111.2G594 L599G594-S597 PolarHBondContact O-N 3.35Å; G594-S597 VanDerWaalsContact O-N 3.08Å; S597-L599 VanDerWaalsContact C-N 3.27Å; S597-L599 PolarHBondContact O-N 3.28Å; S597-L599 PolarHBondContact OG-O 2.94Å; S597-L599 VanDerWaalsContact OG-O 3.08Å
598P80.1Confident88.9Confident76 Ų7632.1 Ų32.149%0.49416%0.162SC..SBendtrans-61.5-35.6174.123.5-34.3000112.8R641P598-R641 PolarHBondContact O-N 3.46Å
599L87.4Confident88.8Confident26 Ų2627.7 Ų27.714%0.13615%0.15CC..EExtended strand (participates in β ladder)trans-135.9127.7177.4-68.3176.1000108.8V528 F564 P565 F566 S597 R641V528-L599 HydrophobicContact CG1-CD2 4.32Å; F564-L599 HydrophobicContact CB-CB 4.29Å; F564-L599 HydrophobicContact CD1-CB 4.19Å; F564-L599 HydrophobicContact CD1-CD1 4.11Å; F564-L599 HydrophobicContact CD2-CB 4.19Å; F564-L599 HydrophobicContact CE1-CD1 4.16Å; F564-L599 HydrophobicContact CG-CB 3.97Å; P565-L599 WeakPolarHBondContact CD-O 3.36Å; F566-L599 PolarHBondContact N-O 3.04Å; S597-L599 VanDerWaalsContact C-N 3.27Å; S597-L599 PolarHBondContact O-N 3.28Å; S597-L599 PolarHBondContact OG-O 2.94Å; S597-L599 VanDerWaalsContact OG-O 3.08Å; L599-R641 WeakPolarHBondContact CA-O 3.3Å; L599-R641 HydrophobicContact CD2-CB 4.06Å
600S90.7Very high89.1Confident1 Ų121.1 Ų21.11%0.00712%0.121CC..EExtended strand (participates in β ladder)trans-141.1147.6-176.555.20000112.7F566 G594 R641 M642 L643F566-S600 CarbonylContact O-C 3.56Å; F566-S600 WeakPolarHBondContact O-CA 3.46Å; G594-S600 WeakPolarHBondContact O-CB 3.49Å; G594-S600 PolarHBondContact O-OG 3.3Å; S600-R641 PolarHBondContact N-O 3.25Å; S600-R641 PolarHBondContact OG-O 3.16Å; S600-M642 CarbonylContact O-C 3.52Å; S600-M642 WeakPolarHBondContact O-CA 3.38Å; S600-M642 WeakPolarHBondContact OG-CB 3.35Å; S600-M642 WeakPolarHBondContact OG-CG 3.38Å; S600-L643 PolarHBondContact O-N 3.04Å
601V93.3Very high89.2Confident0 Ų019.7 Ų19.70%011%0.114CC..EExtended strand (participates in β ladder)trans-119.9125.2168-171.50000109A559 F564 F566 V567 K568 I603 L643 L645A559-V601 HydrophobicContact CB-CB 4.31Å; A559-V601 HydrophobicContact CB-CG1 3.78Å; F564-V601 HydrophobicContact CB-CG2 4.1Å; F564-V601 HydrophobicContact CD2-CG2 3.37Å; F564-V601 HydrophobicContact CE2-CG2 4.08Å; F564-V601 HydrophobicContact CG-CG2 4.06Å; F566-V601 PolarHBondContact O-N 2.74Å; V567-V601 WeakPolarHBondContact CA-O 3.37Å; V567-V601 HydrophobicContact CG1-CB 4.34Å; V567-V601 HydrophobicContact CG2-CB 4.23Å; V567-V601 HydrophobicContact CG2-CG2 4.41Å; K568-V601 PolarHBondContact N-O 3.1Å; V601-I603 HydrophobicContact CG1-CG1 4.38Å; V601-L643 CarbonylContact C-O 3.56Å; V601-L643 VanDerWaalsContact CA-O 3.26Å; V601-L643 WeakPolarHBondContact CA-O 3.41Å; V601-L643 HydrophobicContact CG1-CB 4.44Å; V601-L643 HydrophobicContact CG1-CD2 4.44Å; V601-L643 HydrophobicContact CG1-CG 4.48Å; V601-L643 HydrophobicContact CG2-CB 4.28Å; V601-L643 HydrophobicContact CG2-CD2 4.41Å; V601-L645 HydrophobicContact CG1-CD1 3.66Å; V601-L645 HydrophobicContact CG1-CG 4.04Å
602V94.2Very high89.1Confident0 Ų024 Ų240%013%0.134CC..EExtended strand (participates in β ladder)trans-114.1117.3172.5-1780000108.3K568 V570 I590 F591 V604 M642 L643 V644 L645K568-V602 WeakPolarHBondContact O-CA 3.18Å; V570-V602 HydrophobicContact CG2-CG1 3.99Å; I590-V602 HydrophobicContact CG2-CG1 4.2Å; F591-V602 HydrophobicContact CD2-CG1 4.24Å; F591-V602 HydrophobicContact CE2-CG1 3.78Å; F591-V602 HydrophobicContact CZ-CG1 3.94Å; V602-V604 HydrophobicContact CG1-CG2 4.38Å; V602-M642 HydrophobicContact CG2-CE 4.19Å; V602-M642 HydrophobicContact CG2-CG 4.37Å; V602-M642 HydrophobicContact CG2-SD 3.96Å; V602-L643 PolarHBondContact N-O 3.4Å; V602-V644 CarbonylContact O-C 3.54Å; V602-V644 VanDerWaalsContact O-CA 3.31Å; V602-V644 WeakPolarHBondContact O-CA 3.42Å; V602-L645 PolarHBondContact O-N 2.86Å
603I95.1Very high89.3Confident0 Ų024.2 Ų24.20%013%0.131CC..EExtended strand (participates in β ladder)trans-92.5118.6176-54.6173.2000108L499 A555 V556 A559 V567 K568 I569 V570 V601 D605 L645L499-I603 HydrophobicContact CD2-CD1 4.48Å; A555-I603 HydrophobicContact CB-CG2 3.93Å; V556-I603 HydrophobicContact CB-CD1 4.44Å; V556-I603 HydrophobicContact CG2-CD1 3.78Å; A559-I603 HydrophobicContact CB-CD1 3.79Å; A559-I603 HydrophobicContact CB-CG1 4.28Å; V567-I603 HydrophobicContact CG1-CD1 4.47Å; K568-I603 PolarHBondContact O-N 3.39Å; I569-I603 CarbonylContact C-O 3.58Å; I569-I603 WeakPolarHBondContact CA-O 3.44Å; I569-I603 HydrophobicContact CB-CB 4.24Å; I569-I603 HydrophobicContact CD1-CG2 4.15Å; I569-I603 HydrophobicContact CG1-CB 4.01Å; I569-I603 HydrophobicContact CG1-CG2 4.03Å; V570-I603 PolarHBondContact N-O 2.88Å; V601-I603 HydrophobicContact CG1-CG1 4.38Å; I603-D605 HydrophobicContact CG2-CB 4.33Å; I603-L645 CarbonylContact C-O 3.54Å; I603-L645 VanDerWaalsContact CA-O 3.23Å; I603-L645 WeakPolarHBondContact CA-O 3.08Å; I603-L645 HydrophobicContact CG1-CB 4.3Å; I603-L645 HydrophobicContact CG1-CD1 4.32Å
604V95.3Very high89.7Confident2 Ų226.4 Ų26.41%0.01214%0.143CC..EExtended strand (participates in β ladder)trans-101.590.4172.1-173.90000108.1F591 V602 I607 L610 V644 L645 A646 T647F591-V604 HydrophobicContact CE2-CG2 4.26Å; F591-V604 HydrophobicContact CZ-CG2 4.11Å; V602-V604 HydrophobicContact CG1-CG2 4.38Å; V604-I607 HydrophobicContact CG1-CD1 4.41Å; V604-I607 HydrophobicContact CG1-CG1 3.88Å; V604-L610 HydrophobicContact CG1-CD1 3.61Å; V604-V644 HydrophobicContact CG2-CG1 3.99Å; V604-L645 PolarHBondContact N-O 2.88Å; V604-A646 CarbonylContact O-C 3.43Å; V604-A646 VanDerWaalsContact O-CA 3.31Å; V604-A646 WeakPolarHBondContact O-CA 3.33Å; V604-T647 PolarHBondContact O-N 2.96Å
605D94.7Very high89.7Confident11 Ų1130.9 Ų30.96%0.05917%0.172CC..EExtended strand (participates in β ladder)trans-87.3137.9-173.9179.756.8000112.1T552 I569 V570 T571 I603 T647T552-D605 WeakPolarHBondContact CB-OD1 3.48Å; T552-D605 HydrophobicContact CG2-CB 4.43Å; T552-D605 VanDerWaalsContact CG2-CG 3.49Å; T552-D605 WeakPolarHBondContact CG2-OD1 3.23Å; T552-D605 PolarHBondContact OG1-OD1 2.9Å; I569-D605 HydrophobicContact CD1-CB 3.98Å; I569-D605 HydrophobicContact CG1-CB 4.1Å; V570-D605 PolarHBondContact O-N 3.42Å; T571-D605 PolarHBondContact OG1-OD2 2.81Å; I603-D605 HydrophobicContact CG2-CB 4.33Å; D605-T647 WeakPolarHBondContact CA-OG1 3.41Å; D605-T647 PolarHBondContact OD1-OG1 3.47Å
606N93.4Very high89.8Confident50 Ų5035.3 Ų35.327%0.26720%0.196SC..  trans55.462.2174.9-173.320000111.9E608 G609 L610 T647N606-E608 PolarHBondContact O-N 2.73Å; N606-E608 VanDerWaalsContact OD1-CG 3.24Å; N606-E608 WeakPolarHBondContact OD1-CG 3.5Å; N606-E608 PolarHBondContact OD1-OE1 2.75Å; N606-E608 VanDerWaalsContact OD1-OE1 3.09Å; N606-G609 WeakPolarHBondContact O-CA 3.36Å; N606-G609 PolarHBondContact O-N 3.01Å; N606-G609 PolarHBondContact OD1-N 3.06Å; N606-L610 PolarHBondContact O-N 3.36Å; N606-T647 PolarHBondContact N-O 2.79Å; N606-T647 PolarHBondContact N-OG1 2.97Å
607I94.1Very high90Very high0 Ų034 Ų340%021%0.207CC..Hα-helixtrans-53.2-42.3-177.9-70.4178.2000111.3L542 V604 G609 L610 I611 I628 A646 T647 L654 L659 F663L542-I607 HydrophobicContact CD1-CD1 4.29Å; V604-I607 HydrophobicContact CG1-CD1 4.41Å; V604-I607 HydrophobicContact CG1-CG1 3.88Å; I607-G609 PolarHBondContact O-N 3.36Å; I607-L610 PolarHBondContact O-N 2.79Å; I607-I611 HydrophobicContact CG2-CG2 4.2Å; I607-I611 WeakPolarHBondContact O-CG1 3.4Å; I607-I611 PolarHBondContact O-N 3Å; I607-I628 HydrophobicContact CG2-CD1 4.47Å; I607-A646 HydrophobicContact CD1-CB 3.62Å; I607-T647 PolarHBondContact N-O 3.09Å; I607-T647 VanDerWaalsContact N-O 3.1Å; I607-L654 HydrophobicContact CB-CD2 4.32Å; I607-L654 HydrophobicContact CD1-CD2 4.05Å; I607-L654 HydrophobicContact CG2-CD1 4.05Å; I607-L654 HydrophobicContact CG2-CD2 4.01Å; I607-L654 HydrophobicContact CG2-CG 4.12Å; I607-L659 HydrophobicContact CG2-CD2 3.76Å; I607-F663 HydrophobicContact CD1-CE2 4.03Å; I607-F663 HydrophobicContact CD1-CZ 3.67Å
608E91.8Very high90Very high21 Ų2137.6 Ų37.610%0.09823%0.23CC..Hα-helixtrans-57.7-36.4176.961.7-84.6-161.500112.6N606 E612 Y613 T648 S649N606-E608 PolarHBondContact O-N 2.73Å; N606-E608 VanDerWaalsContact OD1-CG 3.24Å; N606-E608 WeakPolarHBondContact OD1-CG 3.5Å; N606-E608 PolarHBondContact OD1-OE1 2.75Å; N606-E608 VanDerWaalsContact OD1-OE1 3.09Å; E608-E612 PolarHBondContact O-N 2.92Å; E608-Y613 PolarHBondContact O-N 3.4Å; E608-T648 VanDerWaalsContact OE2-CA 3.23Å; E608-T648 WeakPolarHBondContact OE2-CA 3.24Å; E608-T648 WeakPolarHBondContact OE2-CB 3.45Å; E608-T648 PolarHBondContact OE2-OG1 3.3Å; E608-S649 VanDerWaalsContact CD-N 3.34Å; E608-S649 WeakPolarHBondContact OE1-CA 3.32Å; E608-S649 WeakPolarHBondContact OE1-CB 3.18Å; E608-S649 PolarHBondContact OE1-N 2.75Å; E608-S649 PolarHBondContact OE1-OG 3.43Å; E608-S649 PolarHBondContact OE2-N 3.29Å
609G91.4Very high90.4Very high24 Ų2442.8 Ų42.825%0.24724%0.24CC..Hα-helixtrans-74.9-31.1174.300000113.8N606 I607N606-G609 WeakPolarHBondContact O-CA 3.36Å; N606-G609 PolarHBondContact O-N 3.01Å; N606-G609 PolarHBondContact OD1-N 3.06Å; I607-G609 PolarHBondContact O-N 3.36Å
610L92.3Very high90.6Very high1 Ų144.6 Ų44.61%0.00525%0.246CC..Hα-helixtrans-70.7-44.3176.1-75.4170.4000111.8V570 M575 V604 N606 I607 E612 I624V570-L610 HydrophobicContact CG1-CD1 4.16Å; V570-L610 HydrophobicContact CG1-CD2 4.45Å; M575-L610 HydrophobicContact SD-CD2 4.32Å; V604-L610 HydrophobicContact CG1-CD1 3.61Å; N606-L610 PolarHBondContact O-N 3.36Å; I607-L610 PolarHBondContact O-N 2.79Å; L610-E612 PolarHBondContact O-N 3.01Å; L610-I624 VanDerWaalsContact O-CD1 3.23Å; L610-I624 WeakPolarHBondContact O-CD1 3.32Å
611I91.9Very high90.6Very high0 Ų044.7 Ų44.70%025%0.247CC..THydrogen-bonded Turntrans-78.71.1177.771.9-178.7000112.7I607 Y613 F620 S621 I624 V625 I628I607-I611 HydrophobicContact CG2-CG2 4.2Å; I607-I611 WeakPolarHBondContact O-CG1 3.4Å; I607-I611 PolarHBondContact O-N 3Å; I611-Y613 VanDerWaalsContact C-N 3.26Å; I611-Y613 PolarHBondContact O-N 3.31Å; I611-F620 CarbonylContact O-C 3.38Å; I611-F620 WeakPolarHBondContact O-CA 3.26Å; I611-S621 PolarHBondContact O-N 3.25Å; I611-I624 HydrophobicContact CG2-CG2 3.99Å; I611-V625 HydrophobicContact CB-CG2 4.05Å; I611-V625 HydrophobicContact CD1-CG2 4.38Å; I611-V625 HydrophobicContact CG2-CG2 3.71Å; I611-I628 HydrophobicContact CG2-CD1 4.06Å
612E89.7Confident90.5Very high98 Ų9848.7 Ų48.746%0.45827%0.269SS..THydrogen-bonded Turntrans54.940.9-178.4-56.4-178176.700112.8K583 E608 L610 N614K583-E612 IonicContact NZ-OE1 3.53Å; K583-E612 PolarHBondContact NZ-OE1 3.29Å; E608-E612 PolarHBondContact O-N 2.92Å; L610-E612 PolarHBondContact O-N 3.01Å; E612-N614 PolarHBondContact O-N 3.5Å
613Y91.3Very high90.3Very high59 Ų5954.1 Ų54.123%0.23129%0.292CS..  trans-64.8128-178.1-179.2-104.7000111.2E608 I611 P615 P618 R619 F620 A653E608-Y613 PolarHBondContact O-N 3.4Å; I611-Y613 VanDerWaalsContact C-N 3.26Å; I611-Y613 PolarHBondContact O-N 3.31Å; Y613-P615 HydrophobicContact CE1-CB 4.16Å; Y613-P618 HydrophobicContact CE2-CB 4.45Å; Y613-R619 CarbonylContact C-O 3.52Å; Y613-R619 WeakPolarHBondContact CA-O 3.34Å; Y613-F620 HydrophobicContact CD2-CB 4.39Å; Y613-A653 HydrophobicContact CD1-CB 3.92Å; Y613-A653 HydrophobicContact CD2-CB 3.97Å; Y613-A653 HydrophobicContact CE1-CB 3.61Å; Y613-A653 HydrophobicContact CE2-CB 3.68Å; Y613-A653 HydrophobicContact CG-CB 4.08Å; Y613-A653 VanDerWaalsContact CZ-CB 3.49Å
614N90.2Very high90.2Very high74 Ų7454.1 Ų54.140%0.39629%0.293SS..BIsolated β-bridgetrans-125.5121.2170.5-174.2-15.6000109.3E612 V616 P618 R619E612-N614 PolarHBondContact O-N 3.5Å; N614-V616 PolarHBondContact O-N 3.1Å; N614-V616 PolarHBondContact OD1-N 3.39Å; N614-P618 WeakPolarHBondContact O-CA 3.1Å; N614-R619 HydrophobicContact CB-CB 4.44Å; N614-R619 PolarHBondContact N-O 3.49Å; N614-R619 PolarHBondContact O-N 3.17Å; N614-R619 VanDerWaalsContact O-N 3.14Å
615P85.7Confident90.1Very high93 Ų9354.1 Ų54.160%0.60429%0.292SS*.THydrogen-bonded Turntrans-64.6-21.218026.7-35.3000113.3Y613 G617Y613-P615 HydrophobicContact CE1-CB 4.16Å; P615-G617 PolarHBondContact O-N 3.08Å
616V87.7Confident90Very high113 Ų11357 Ų5769%0.68531%0.306SS*.THydrogen-bonded Turntrans-77.8102.4176.6-176.10000109.8N614N614-V616 PolarHBondContact O-N 3.1Å; N614-V616 PolarHBondContact OD1-N 3.39Å
617G80Confident90Very high56 Ų5655.6 Ų55.658%0.57730%0.3SS*.THydrogen-bonded Turntrans73.747.6177.300000113.3P615 R619P615-G617 PolarHBondContact O-N 3.08Å; G617-R619 VanDerWaalsContact O-CG 3.28Å; G617-R619 WeakPolarHBondContact O-CG 3.4Å; G617-R619 PolarHBondContact O-N 2.96Å
618P79Confident89.9Confident85 Ų8555.8 Ų55.855%0.55230%0.301SS*.THydrogen-bonded Turntrans-17.485.9-149.916.6-34.5000114.4Y613 N614Y613-P618 HydrophobicContact CE2-CB 4.45Å; N614-P618 WeakPolarHBondContact O-CA 3.1Å
619R89.5Confident90Very high184 Ų18458 Ų5869%0.69431%0.309SS*.BIsolated β-bridgetrans-93.9136177.7-59.2-172.2-174.8-173.11109.5Y613 N614 G617Y613-R619 CarbonylContact C-O 3.52Å; Y613-R619 WeakPolarHBondContact CA-O 3.34Å; N614-R619 HydrophobicContact CB-CB 4.44Å; N614-R619 PolarHBondContact N-O 3.49Å; N614-R619 PolarHBondContact O-N 3.17Å; N614-R619 VanDerWaalsContact O-N 3.14Å; G617-R619 VanDerWaalsContact O-CG 3.28Å; G617-R619 WeakPolarHBondContact O-CG 3.4Å; G617-R619 PolarHBondContact O-N 2.96Å
620F90.9Very high90Very high64 Ų6461.6 Ų61.628%0.28132%0.323SS..  trans-160.7161.4175.859.9-83.8000109.1I611 Y613 N622 V625 Q657I611-F620 CarbonylContact O-C 3.38Å; I611-F620 WeakPolarHBondContact O-CA 3.26Å; Y613-F620 HydrophobicContact CD2-CB 4.39Å; F620-N622 HydrophobicContact CD2-CB 4.43Å; F620-N622 HydrophobicContact CE2-CB 3.88Å; F620-N622 PolarHBondContact O-N 3.34Å; F620-V625 HydrophobicContact CD2-CG2 3.97Å; F620-V625 HydrophobicContact CE2-CG2 4.43Å; F620-Q657 HydrophobicContact CE2-CG 4.4Å
621S91Very high90Very high3 Ų362.2 Ų62.22%0.02133%0.326CS..  trans-83.7100.2171.8-178.30000110.5E580 I611 F623 I624 V625E580-S621 WeakPolarHBondContact OE1-CB 3.43Å; E580-S621 PolarHBondContact OE1-OG 2.88Å; I611-S621 PolarHBondContact O-N 3.25Å; S621-F623 PolarHBondContact O-N 3.35Å; S621-I624 PolarHBondContact O-N 2.82Å; S621-I624 WeakPolarHBondContact OG-CG1 3.4Å; S621-I624 PolarHBondContact OG-N 3.46Å; S621-V625 WeakPolarHBondContact O-CG2 3.38Å; S621-V625 PolarHBondContact O-N 2.6Å; S621-V625 VanDerWaalsContact O-N 3.16Å
622N90.8Very high90Very high85 Ų8562.4 Ų62.446%0.45533%0.327SS..Hα-helixtrans-60.6-31.7174-177.544.1000111.7F620 I624 V625 Q626F620-N622 HydrophobicContact CD2-CB 4.43Å; F620-N622 HydrophobicContact CE2-CB 3.88Å; F620-N622 PolarHBondContact O-N 3.34Å; N622-I624 VanDerWaalsContact C-N 3.31Å; N622-I624 PolarHBondContact O-N 2.99Å; N622-V625 PolarHBondContact O-N 2.95Å; N622-Q626 WeakPolarHBondContact O-CG 3.33Å; N622-Q626 PolarHBondContact O-N 3.18Å; N622-Q626 PolarHBondContact OD1-NE2 3.23Å; N622-Q626 VanDerWaalsContact OD1-NE2 3.13Å
623F91.1Very high90Very high113 Ų11360.2 Ų60.250%0.49632%0.323SS..Hα-helixtrans-59.9-43.2177.7-166.8-106000111.5E580 C584 S621 A627E580-F623 HydrophobicContact CB-CD1 4.3Å; C584-F623 HydrophobicContact CB-CD1 4.29Å; C584-F623 HydrophobicContact CB-CE1 3.8Å; C584-F623 WeakPolarHBondContact SG-CD1 3.23Å; C584-F623 WeakPolarHBondContact SG-CE1 3.31Å; S621-F623 PolarHBondContact O-N 3.35Å; F623-A627 WeakPolarHBondContact O-CB 3.31Å; F623-A627 PolarHBondContact O-N 2.93Å
624I93.1Very high89.8Confident1 Ų160.9 Ų60.91%0.00533%0.328CS..Hα-helixtrans-70.1-38.8177-62.1174.3000111.1K583 M587 L610 I611 S621 N622 A627 I628K583-I624 HydrophobicContact CB-CD1 4.22Å; K583-I624 HydrophobicContact CD-CD1 3.69Å; M587-I624 HydrophobicContact CE-CG2 3.89Å; L610-I624 VanDerWaalsContact O-CD1 3.23Å; L610-I624 WeakPolarHBondContact O-CD1 3.32Å; I611-I624 HydrophobicContact CG2-CG2 3.99Å; S621-I624 PolarHBondContact O-N 2.82Å; S621-I624 WeakPolarHBondContact OG-CG1 3.4Å; S621-I624 PolarHBondContact OG-N 3.46Å; N622-I624 VanDerWaalsContact C-N 3.31Å; N622-I624 PolarHBondContact O-N 2.99Å; I624-A627 PolarHBondContact O-N 3.45Å; I624-I628 HydrophobicContact CG2-CD1 3.95Å; I624-I628 HydrophobicContact CG2-CG1 4.38Å; I624-I628 WeakPolarHBondContact O-CG1 3.5Å; I624-I628 PolarHBondContact O-N 2.71Å
625V92.7Very high89.7Confident1 Ų161.8 Ų61.81%0.00634%0.338CS..Hα-helixtrans-58.8-48.9176172.90000111.4I611 F620 S621 N622 I628 R629 Q657I611-V625 HydrophobicContact CB-CG2 4.05Å; I611-V625 HydrophobicContact CD1-CG2 4.38Å; I611-V625 HydrophobicContact CG2-CG2 3.71Å; F620-V625 HydrophobicContact CD2-CG2 3.97Å; F620-V625 HydrophobicContact CE2-CG2 4.43Å; S621-V625 WeakPolarHBondContact O-CG2 3.38Å; S621-V625 PolarHBondContact O-N 2.6Å; S621-V625 VanDerWaalsContact O-N 3.16Å; N622-V625 PolarHBondContact O-N 2.95Å; V625-I628 PolarHBondContact O-N 3.47Å; V625-R629 PolarHBondContact O-N 3.17Å; V625-R629 VanDerWaalsContact O-N 3.12Å; V625-Q657 HydrophobicContact CG1-CB 4.25Å
626Q92.2Very high89.7Confident73 Ų7358.1 Ų58.134%0.34131%0.313SS..Hα-helixtrans-63.9-42.1177.5-60.5-54.7-35.500111.2N622 I628 R629 D630N622-Q626 WeakPolarHBondContact O-CG 3.33Å; N622-Q626 PolarHBondContact O-N 3.18Å; N622-Q626 PolarHBondContact OD1-NE2 3.23Å; N622-Q626 VanDerWaalsContact OD1-NE2 3.13Å; Q626-I628 PolarHBondContact O-N 2.71Å; Q626-R629 WeakPolarHBondContact O-CB 3.36Å; Q626-R629 PolarHBondContact O-N 2.81Å; Q626-D630 PolarHBondContact O-N 2.98Å
627A93.2Very high89.4Confident19 Ų1958.3 Ų58.316%0.15731%0.305CS..Hα-helixtrans-59.7-44177.400000112.4C584 M587 F623 I624 D630 L631C584-A627 HydrophobicContact CB-CB 4.29Å; M587-A627 HydrophobicContact CE-CB 4.15Å; F623-A627 WeakPolarHBondContact O-CB 3.31Å; F623-A627 PolarHBondContact O-N 2.93Å; I624-A627 PolarHBondContact O-N 3.45Å; A627-D630 PolarHBondContact O-N 3.15Å; A627-L631 WeakPolarHBondContact O-CB 3.42Å; A627-L631 WeakPolarHBondContact O-CG 3.49Å; A627-L631 PolarHBondContact O-N 3.43Å
628I93.4Very high89.4Confident4 Ų459.1 Ų59.12%0.02131%0.306CS..Hα-helixtrans-62.7-44177-67.4169.9000110.5M587 I607 I611 I624 V625 Q626 D630 L631 V632 L659M587-I628 HydrophobicContact CE-CG1 4.14Å; M587-I628 HydrophobicContact SD-CG1 4.05Å; I607-I628 HydrophobicContact CG2-CD1 4.47Å; I611-I628 HydrophobicContact CG2-CD1 4.06Å; I624-I628 HydrophobicContact CG2-CD1 3.95Å; I624-I628 HydrophobicContact CG2-CG1 4.38Å; I624-I628 WeakPolarHBondContact O-CG1 3.5Å; I624-I628 PolarHBondContact O-N 2.71Å; V625-I628 PolarHBondContact O-N 3.47Å; Q626-I628 PolarHBondContact O-N 2.71Å; I628-D630 VanDerWaalsContact C-N 3.35Å; I628-D630 PolarHBondContact O-N 3.45Å; I628-L631 PolarHBondContact O-N 3.3Å; I628-V632 HydrophobicContact CG2-CG2 4.23Å; I628-V632 VanDerWaalsContact O-CB 3.29Å; I628-V632 WeakPolarHBondContact O-CB 3.48Å; I628-V632 VanDerWaalsContact O-CG2 3.25Å; I628-V632 WeakPolarHBondContact O-CG2 3.46Å; I628-V632 PolarHBondContact O-N 3.49Å; I628-L659 HydrophobicContact CB-CD1 4.47Å; I628-L659 HydrophobicContact CG2-CD1 4.12Å; I628-L659 HydrophobicContact CG2-CD2 4.38Å
629R92.2Very high89.4Confident69 Ų6957.8 Ų57.826%0.2631%0.308SS..Hα-helixtrans-59.5-44.1177.9-178.6-177.4-71.9158.1-1.5112.1V625 Q626 S633 Q657 N658 L659V625-R629 PolarHBondContact O-N 3.17Å; V625-R629 VanDerWaalsContact O-N 3.12Å; Q626-R629 WeakPolarHBondContact O-CB 3.36Å; Q626-R629 PolarHBondContact O-N 2.81Å; R629-S633 WeakPolarHBondContact O-CB 3.32Å; R629-S633 PolarHBondContact O-N 3.15Å; R629-S633 PolarHBondContact O-OG 3.47Å; R629-Q657 PolarHBondContact NH2-O 2.8Å; R629-N658 VanDerWaalsContact NH2-C 3.33Å; R629-N658 PolarHBondContact NH2-O 3.08Å; R629-L659 HydrophobicContact CB-CD1 4.21Å
630D91.9Very high89.2Confident99 Ų9951.2 Ų51.253%0.52928%0.283SS..Hα-helixtrans-68.9-44.4179.6-71.5-13000111.6Q626 A627 I628 V632 S633 Q634Q626-D630 PolarHBondContact O-N 2.98Å; A627-D630 PolarHBondContact O-N 3.15Å; I628-D630 VanDerWaalsContact C-N 3.35Å; I628-D630 PolarHBondContact O-N 3.45Å; D630-V632 VanDerWaalsContact C-N 3.35Å; D630-V632 PolarHBondContact O-N 3.09Å; D630-S633 PolarHBondContact O-N 2.97Å; D630-S633 PolarHBondContact O-OG 3.05Å; D630-Q634 WeakPolarHBondContact O-CB 3.34Å; D630-Q634 PolarHBondContact O-N 3.14Å
631L92.9Very high89.1Confident13 Ų1351.4 Ų51.47%0.06828%0.282CS..Hα-helixtrans-64-38.9179.7-70.7171.7000112.5M587 K588 F591 A627 I628 S633M587-L631 HydrophobicContact CB-CD1 3.81Å; K588-L631 HydrophobicContact CB-CD2 4.34Å; K588-L631 HydrophobicContact CG-CD2 4.44Å; F591-L631 HydrophobicContact CB-CD2 3.93Å; F591-L631 HydrophobicContact CD1-CB 3.96Å; F591-L631 HydrophobicContact CD2-CB 4.18Å; F591-L631 HydrophobicContact CD2-CD1 3.92Å; F591-L631 HydrophobicContact CD2-CD2 4.43Å; F591-L631 HydrophobicContact CD2-CG 4.41Å; F591-L631 HydrophobicContact CE1-CB 3.98Å; F591-L631 HydrophobicContact CE2-CB 4.2Å; F591-L631 HydrophobicContact CE2-CD1 4.18Å; F591-L631 HydrophobicContact CG-CB 4.06Å; F591-L631 HydrophobicContact CG-CD1 4.39Å; F591-L631 HydrophobicContact CG-CD2 4.08Å; F591-L631 HydrophobicContact CG-CG 4.4Å; F591-L631 HydrophobicContact CZ-CB 4.1Å; A627-L631 WeakPolarHBondContact O-CB 3.42Å; A627-L631 WeakPolarHBondContact O-CG 3.49Å; A627-L631 PolarHBondContact O-N 3.43Å; I628-L631 PolarHBondContact O-N 3.3Å; L631-S633 VanDerWaalsContact C-N 3.3Å; L631-S633 PolarHBondContact O-N 3.18Å
632V91.7Very high89.2Confident5 Ų551.5 Ų51.53%0.0328%0.282CS..Hα-helixtrans-69.4-27.9178.3162.90000112.3T540 I628 D630 V644 A662 F663T540-V632 HydrophobicContact CG2-CB 4.47Å; T540-V632 HydrophobicContact CG2-CG1 3.41Å; T540-V632 VanDerWaalsContact CG2-CG1 3.41Å; I628-V632 HydrophobicContact CG2-CG2 4.23Å; I628-V632 VanDerWaalsContact O-CB 3.29Å; I628-V632 WeakPolarHBondContact O-CB 3.48Å; I628-V632 VanDerWaalsContact O-CG2 3.25Å; I628-V632 WeakPolarHBondContact O-CG2 3.46Å; I628-V632 PolarHBondContact O-N 3.49Å; D630-V632 VanDerWaalsContact C-N 3.35Å; D630-V632 PolarHBondContact O-N 3.09Å; V632-V644 HydrophobicContact CG2-CG1 4.27Å; V632-A662 HydrophobicContact CG1-CB 4.3Å; V632-A662 VanDerWaalsContact CG1-O 3.27Å; V632-A662 WeakPolarHBondContact CG1-O 3.39Å; V632-F663 HydrophobicContact CG2-CE1 4.22Å; V632-F663 HydrophobicContact CG2-CZ 4.44Å
633S88.9Confident89.4Confident52 Ų5247.5 Ų47.536%0.36426%0.26SS..Hα-helixtrans-100.2-4.4-178.861.80000114.3R629 D630 L631R629-S633 WeakPolarHBondContact O-CB 3.32Å; R629-S633 PolarHBondContact O-N 3.15Å; R629-S633 PolarHBondContact O-OG 3.47Å; D630-S633 PolarHBondContact O-N 2.97Å; D630-S633 PolarHBondContact O-OG 3.05Å; L631-S633 VanDerWaalsContact C-N 3.3Å; L631-S633 PolarHBondContact O-N 3.18Å
634Q87.3Confident89.6Confident72 Ų7242.1 Ų42.134%0.33624%0.237SC..PPolyproline II helixtrans-61.7130.6-175-175.3176.8-8.900111.8P538 D630P538-Q634 VanDerWaalsContact CD-O 3.27Å; P538-Q634 WeakPolarHBondContact CD-O 3.41Å; D630-Q634 WeakPolarHBondContact O-CB 3.34Å; D630-Q634 PolarHBondContact O-N 3.14Å
635P87.7Confident89.7Confident94 Ų9442 Ų4261%0.6124%0.236SC*.PPolyproline II helixtrans-70.4138.1178.727.2-33.3000112.5Y536Y536-P635 CarbonylContact O-C 3.43Å; Y536-P635 WeakPolarHBondContact O-CA 3.45Å
636L86.9Confident89.9Confident16 Ų1642 Ų428%0.08424%0.236CC..PPolyproline II helixtrans-93.2151.8175.4-59.5174000110.8Y536 P538 A595 M642Y536-L636 PolarHBondContact O-N 2.85Å; P538-L636 HydrophobicContact CG-CD1 4.39Å; P538-L636 HydrophobicContact CG-CG 4.49Å; A595-L636 HydrophobicContact CB-CD2 3.77Å; L636-M642 HydrophobicContact CD1-CB 3.64Å; L636-M642 HydrophobicContact CD2-CE 4.31Å
637K81.3Confident90.1Very high117 Ų11738.6 Ų38.651%0.50922%0.22SC..PPolyproline II helixtrans-65152172.3-63.6-177.1-175.2176.30110.3E394 G639 R640E394-K637 IonicContact OE2-NZ 2.67Å; E394-K637 PolarHBondContact OE2-NZ 2.89Å; E394-K637 VanDerWaalsContact OE2-NZ 3.07Å; K637-G639 PolarHBondContact O-N 2.6Å; K637-R640 WeakPolarHBondContact O-CB 3.35Å; K637-R640 PolarHBondContact O-N 3.33Å; K637-R640 VanDerWaalsContact O-N 3.1Å
638A79.1Confident90.2Very high73 Ų7337.7 Ų37.760%0.60321%0.213SC*.THydrogen-bonded Turntrans-51.1136.9176.500000112.1Y536 R640Y536-A638 HydrophobicContact CE1-CB 4.43Å; A638-R640 VanDerWaalsContact C-N 3.27Å; A638-R640 PolarHBondContact O-N 3.35Å
639G80.1Confident90.2Very high57 Ų5739.2 Ų39.259%0.58822%0.224SC*.THydrogen-bonded Turntrans78.8-5.1-177.900000116K637K637-G639 PolarHBondContact O-N 2.6Å
640R84.5Confident90.1Very high45 Ų4538.2 Ų38.217%0.1723%0.227CC..  trans-105.6133.7177.1-55.1-168.3-179170.9-9.1110.5E394 A595 K637 A638E394-R640 IonicContact OE1-CZ 3.4Å; E394-R640 IonicContact OE1-NH1 3.42Å; E394-R640 IonicContact OE1-NH2 3.89Å; E394-R640 PolarHBondContact OE1-NH2 3.28Å; A595-R640 WeakPolarHBondContact O-CD 3.49Å; A595-R640 PolarHBondContact O-NH1 3.32Å; K637-R640 WeakPolarHBondContact O-CB 3.35Å; K637-R640 PolarHBondContact O-N 3.33Å; K637-R640 VanDerWaalsContact O-N 3.1Å; A638-R640 VanDerWaalsContact C-N 3.27Å; A638-R640 PolarHBondContact O-N 3.35Å
641R89.4Confident90.1Very high69 Ų6939.9 Ų39.926%0.2623%0.226SC..EExtended strand (participates in β ladder)trans-135.7145.1-174.2-55.8169-74.5178.4-8.4110.8V528 K529 P598 L599 S600V528-R641 HydrophobicContact CG1-CB 3.81Å; V528-R641 WeakPolarHBondContact O-CD 3.39Å; V528-R641 PolarHBondContact O-NE 3.34Å; V528-R641 PolarHBondContact O-NH1 3.4Å; K529-R641 PolarHBondContact O-NH1 2.91Å; K529-R641 PolarHBondContact O-NH2 3.23Å; P598-R641 PolarHBondContact O-N 3.46Å; L599-R641 WeakPolarHBondContact CA-O 3.3Å; L599-R641 HydrophobicContact CD2-CB 4.06Å; S600-R641 PolarHBondContact N-O 3.25Å; S600-R641 PolarHBondContact OG-O 3.16Å
642M92.5Very high89.9Confident5 Ų547 Ų473%0.02526%0.258CS..EExtended strand (participates in β ladder)trans-137.9134.3-172.9-175178.1-71.800110.5P538 L539 F591 A595 S600 V602 L636 V644P538-M642 WeakPolarHBondContact CA-O 3.38Å; P538-M642 HydrophobicContact CB-CB 4.15Å; P538-M642 HydrophobicContact CB-CG 4.36Å; P538-M642 HydrophobicContact CB-SD 4.46Å; P538-M642 HydrophobicContact CG-CB 4.46Å; P538-M642 HydrophobicContact CG-SD 4.32Å; L539-M642 PolarHBondContact N-O 3.41Å; F591-M642 HydrophobicContact CD1-SD 3.91Å; F591-M642 HydrophobicContact CE1-SD 4.15Å; A595-M642 HydrophobicContact CB-CE 4.22Å; S600-M642 CarbonylContact O-C 3.52Å; S600-M642 WeakPolarHBondContact O-CA 3.38Å; S600-M642 WeakPolarHBondContact OG-CB 3.35Å; S600-M642 WeakPolarHBondContact OG-CG 3.38Å; V602-M642 HydrophobicContact CG2-CE 4.19Å; V602-M642 HydrophobicContact CG2-CG 4.37Å; V602-M642 HydrophobicContact CG2-SD 3.96Å; L636-M642 HydrophobicContact CD1-CB 3.64Å; L636-M642 HydrophobicContact CD2-CE 4.31Å; M642-V644 HydrophobicContact CG-CG2 4.18Å; M642-V644 HydrophobicContact SD-CG2 4.11Å
643L94.5Very high89.7Confident0 Ų046.8 Ų46.80%026%0.258CS..EExtended strand (participates in β ladder)trans-104124.2166.9-179.461.7000108.8A524 V525 V528 L539 F564 S600 V601 V602 L645A524-L643 HydrophobicContact CB-CD1 3.96Å; V525-L643 HydrophobicContact CG2-CD2 3.86Å; V528-L643 HydrophobicContact CG2-CB 4.12Å; V528-L643 HydrophobicContact CG2-CD1 4.27Å; L539-L643 HydrophobicContact CB-CD1 4.3Å; L539-L643 HydrophobicContact CD2-CD1 4.21Å; L539-L643 HydrophobicContact CG-CD1 4.3Å; L539-L643 CarbonylContact O-C 3.48Å; L539-L643 WeakPolarHBondContact O-CA 3.44Å; F564-L643 HydrophobicContact CE2-CB 4.38Å; S600-L643 PolarHBondContact O-N 3.04Å; V601-L643 CarbonylContact C-O 3.56Å; V601-L643 VanDerWaalsContact CA-O 3.26Å; V601-L643 WeakPolarHBondContact CA-O 3.41Å; V601-L643 HydrophobicContact CG1-CB 4.44Å; V601-L643 HydrophobicContact CG1-CD2 4.44Å; V601-L643 HydrophobicContact CG1-CG 4.48Å; V601-L643 HydrophobicContact CG2-CB 4.28Å; V601-L643 HydrophobicContact CG2-CD2 4.41Å; V602-L643 PolarHBondContact N-O 3.4Å; L643-L645 HydrophobicContact CD1-CD2 4.37Å; L643-L645 HydrophobicContact CD2-CD1 4.49Å; L643-L645 HydrophobicContact CD2-CD2 4.07Å; L643-L645 HydrophobicContact CD2-CG 4.27Å; L643-L645 HydrophobicContact CG-CD2 4.09Å; L643-L645 HydrophobicContact CG-CG 4.19Å
644V95.7Very high89.8Confident0 Ų044.3 Ų44.30%024%0.24CC..EExtended strand (participates in β ladder)trans-105.3117.1173.1-175.40000109.1P538 L539 T540 L541 F591 V602 V604 V632 M642P538-V644 HydrophobicContact CB-CG2 3.89Å; L539-V644 PolarHBondContact O-N 2.96Å; T540-V644 WeakPolarHBondContact CA-O 3.41Å; T540-V644 HydrophobicContact CG2-CB 3.72Å; T540-V644 HydrophobicContact CG2-CG2 4.04Å; L541-V644 PolarHBondContact N-O 3.46Å; F591-V644 HydrophobicContact CE1-CG2 3.97Å; F591-V644 HydrophobicContact CZ-CG1 4.37Å; F591-V644 HydrophobicContact CZ-CG2 4.43Å; V602-V644 CarbonylContact O-C 3.54Å; V602-V644 VanDerWaalsContact O-CA 3.31Å; V602-V644 WeakPolarHBondContact O-CA 3.42Å; V604-V644 HydrophobicContact CG2-CG1 3.99Å; V632-V644 HydrophobicContact CG2-CG1 4.27Å; M642-V644 HydrophobicContact CG-CG2 4.18Å; M642-V644 HydrophobicContact SD-CG2 4.11Å
645L95.9Very high90Very high0 Ų043.7 Ų43.70%024%0.242CC..EExtended strand (participates in β ladder)trans-103.1110.5176.3-62.6173.3000108.8L541 A555 I558 A559 V601 V602 I603 V604 L643L541-L645 HydrophobicContact CB-CD2 3.86Å; L541-L645 HydrophobicContact CD2-CD2 3.66Å; L541-L645 HydrophobicContact CG-CD2 4.24Å; A555-L645 HydrophobicContact CB-CB 4.27Å; A555-L645 VanDerWaalsContact O-CD1 3.25Å; A555-L645 WeakPolarHBondContact O-CD1 3.27Å; I558-L645 HydrophobicContact CB-CD1 4.12Å; I558-L645 HydrophobicContact CG2-CD1 3.97Å; I558-L645 HydrophobicContact CG2-CD2 4.24Å; A559-L645 HydrophobicContact CB-CD1 4.09Å; V601-L645 HydrophobicContact CG1-CD1 3.66Å; V601-L645 HydrophobicContact CG1-CG 4.04Å; V602-L645 PolarHBondContact O-N 2.86Å; I603-L645 CarbonylContact C-O 3.54Å; I603-L645 VanDerWaalsContact CA-O 3.23Å; I603-L645 WeakPolarHBondContact CA-O 3.08Å; I603-L645 HydrophobicContact CG1-CB 4.3Å; I603-L645 HydrophobicContact CG1-CD1 4.32Å; V604-L645 PolarHBondContact N-O 2.88Å; L643-L645 HydrophobicContact CD1-CD2 4.37Å; L643-L645 HydrophobicContact CD2-CD1 4.49Å; L643-L645 HydrophobicContact CD2-CD2 4.07Å; L643-L645 HydrophobicContact CD2-CG 4.27Å; L643-L645 HydrophobicContact CG-CD2 4.09Å; L643-L645 HydrophobicContact CG-CG 4.19Å
646A96.3Very high90Very high0 Ų044.8 Ų44.80%024%0.242CC..EExtended strand (participates in β ladder)trans-102.6144.8178.800000111.4L541 L542 L543 V604 I607 F663L541-A646 PolarHBondContact O-N 3.24Å; L542-A646 HydrophobicContact CD1-CB 3.56Å; L543-A646 PolarHBondContact N-O 3.44Å; V604-A646 CarbonylContact O-C 3.43Å; V604-A646 VanDerWaalsContact O-CA 3.31Å; V604-A646 WeakPolarHBondContact O-CA 3.33Å; I607-A646 HydrophobicContact CD1-CB 3.62Å; A646-F663 HydrophobicContact CB-CD1 3.84Å; A646-F663 HydrophobicContact CB-CE1 3.24Å; A646-F663 HydrophobicContact CB-CE2 4.45Å; A646-F663 HydrophobicContact CB-CZ 3.59Å
647T95.9Very high89.9Confident2 Ų245.8 Ų45.81%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-121.9138.5172.874.10000111.2L543 K551 A555 V604 D605 N606 I607L543-T647 HydrophobicContact CB-CG2 4.37Å; L543-T647 HydrophobicContact CD1-CG2 4.46Å; L543-T647 WeakPolarHBondContact O-CA 3.37Å; K551-T647 HydrophobicContact CB-CG2 4.23Å; A555-T647 HydrophobicContact CB-CG2 3.86Å; V604-T647 PolarHBondContact O-N 2.96Å; D605-T647 WeakPolarHBondContact CA-OG1 3.41Å; D605-T647 PolarHBondContact OD1-OG1 3.47Å; N606-T647 PolarHBondContact N-O 2.79Å; N606-T647 PolarHBondContact N-OG1 2.97Å; I607-T647 PolarHBondContact N-O 3.09Å; I607-T647 VanDerWaalsContact N-O 3.1Å
648T95.3Very high90.2Very high0 Ų044.3 Ų44.30%024%0.244CC..EExtended strand (participates in β ladder)trans-144.8144.1172.5-172.30000113.2L542 L543 E544 G545 K551 E608 C650 L654L542-T648 HydrophobicContact CD1-CG2 3.96Å; L542-T648 HydrophobicContact CD2-CG2 4.36Å; L542-T648 HydrophobicContact CG-CG2 4.33Å; L543-T648 PolarHBondContact O-N 3.08Å; E544-T648 HydrophobicContact CB-CG2 3.83Å; G545-T648 PolarHBondContact N-O 3.4Å; K551-T648 WeakPolarHBondContact CD-O 3.43Å; K551-T648 VanDerWaalsContact CE-C 3.48Å; K551-T648 WeakPolarHBondContact CE-O 3.02Å; K551-T648 PolarHBondContact NZ-O 3.36Å; E608-T648 VanDerWaalsContact OE2-CA 3.23Å; E608-T648 WeakPolarHBondContact OE2-CA 3.24Å; E608-T648 WeakPolarHBondContact OE2-CB 3.45Å; E608-T648 PolarHBondContact OE2-OG1 3.3Å; T648-C650 PolarHBondContact OG1-N 3.26Å; T648-C650 VanDerWaalsContact OG1-N 3.16Å; T648-L654 HydrophobicContact CG2-CD2 4Å; T648-L654 WeakPolarHBondContact OG1-CD1 3.48Å
649S93.6Very high90.7Very high35 Ų3540.8 Ų40.825%0.24522%0.215CC..SBendtrans-97.3-10.1170.4-41.20000114.2G545 K551 E608G545-S649 VanDerWaalsContact O-CA 3.27Å; G545-S649 WeakPolarHBondContact O-CA 3.2Å; K551-S649 PolarHBondContact NZ-OG 2.77Å; E608-S649 VanDerWaalsContact CD-N 3.34Å; E608-S649 WeakPolarHBondContact OE1-CA 3.32Å; E608-S649 WeakPolarHBondContact OE1-CB 3.18Å; E608-S649 PolarHBondContact OE1-N 2.75Å; E608-S649 PolarHBondContact OE1-OG 3.43Å; E608-S649 PolarHBondContact OE2-N 3.29Å
650C91.2Very high91.1Very high49 Ų4938.8 Ų38.833%0.33119%0.191SC..  trans-130.374.1-171.8-650000110.5T648 E652 A653 L654T648-C650 PolarHBondContact OG1-N 3.26Å; T648-C650 VanDerWaalsContact OG1-N 3.16Å; C650-E652 VanDerWaalsContact C-N 3.27Å; C650-E652 PolarHBondContact O-N 2.79Å; C650-A653 HydrophobicContact CB-CB 4.05Å; C650-A653 PolarHBondContact O-N 2.95Å; C650-L654 WeakPolarHBondContact O-CD1 3.45Å; C650-L654 PolarHBondContact O-N 3.12Å
651R91.1Very high91.3Very high134 Ų13444 Ų4451%0.50622%0.218SC..Hα-helixtrans-56.2-40.4179.8-178.5-173-178.7165.1-7.2112.8E544 A653 L654 T655E544-R651 VanDerWaalsContact CD-CD 3.48Å; E544-R651 WeakPolarHBondContact OE1-CD 3.36Å; E544-R651 IonicContact OE1-CZ 2.8Å; E544-R651 VanDerWaalsContact OE1-CZ 3.29Å; E544-R651 IonicContact OE1-NE 3.68Å; E544-R651 IonicContact OE1-NH1 2.66Å; E544-R651 PolarHBondContact OE1-NH1 3.03Å; E544-R651 WeakPolarHBondContact OE2-CD 2.9Å; E544-R651 VanDerWaalsContact OE2-CG 3.26Å; E544-R651 WeakPolarHBondContact OE2-CG 3.34Å; E544-R651 IonicContact OE2-CZ 3.22Å; E544-R651 IonicContact OE2-NE 3.66Å; E544-R651 PolarHBondContact OE2-NE 3.22Å; E544-R651 IonicContact OE2-NH1 2.75Å; R651-A653 VanDerWaalsContact C-N 3.35Å; R651-A653 PolarHBondContact O-N 3.17Å; R651-L654 PolarHBondContact O-N 2.61Å; R651-T655 WeakPolarHBondContact O-CB 3.48Å; R651-T655 PolarHBondContact O-N 3.3Å; R651-T655 PolarHBondContact O-OG1 3.28Å
652E88.9Confident91.3Very high161 Ų16141.9 Ų41.975%0.75222%0.215SC*.Hα-helixtrans-57.1-49-179.8-65.5173.2-177.400110.8C650 L654 T655 D656C650-E652 VanDerWaalsContact C-N 3.27Å; C650-E652 PolarHBondContact O-N 2.79Å; E652-L654 PolarHBondContact O-N 2.74Å; E652-T655 WeakPolarHBondContact O-CA 3.33Å; E652-T655 WeakPolarHBondContact O-CB 3.37Å; E652-T655 PolarHBondContact O-N 3.01Å; E652-D656 PolarHBondContact O-N 3.21Å
653A87.6Confident91.3Very high2 Ų241.9 Ų41.92%0.01722%0.215CC..Hα-helixtrans-58.3-44.4177.500000112.5Y613 C650 R651 T655 D656 Q657Y613-A653 HydrophobicContact CD1-CB 3.92Å; Y613-A653 HydrophobicContact CD2-CB 3.97Å; Y613-A653 HydrophobicContact CE1-CB 3.61Å; Y613-A653 HydrophobicContact CE2-CB 3.68Å; Y613-A653 HydrophobicContact CG-CB 4.08Å; Y613-A653 VanDerWaalsContact CZ-CB 3.49Å; C650-A653 HydrophobicContact CB-CB 4.05Å; C650-A653 PolarHBondContact O-N 2.95Å; R651-A653 VanDerWaalsContact C-N 3.35Å; R651-A653 PolarHBondContact O-N 3.17Å; A653-T655 VanDerWaalsContact C-N 3.29Å; A653-T655 PolarHBondContact O-N 3.35Å; A653-D656 PolarHBondContact O-N 3.07Å; A653-Q657 WeakPolarHBondContact O-CG 3.49Å; A653-Q657 PolarHBondContact O-N 3.26Å
654L90.5Very high91.1Very high0 Ų045.6 Ų45.60%024%0.241CC..Hα-helixtrans-67.8-30.8177-8769.9000112.5L542 I607 T648 C650 R651 E652 Q657 N658 L659 T660L542-L654 HydrophobicContact CD1-CD2 4.34Å; L542-L654 HydrophobicContact CD2-CD2 4.41Å; I607-L654 HydrophobicContact CB-CD2 4.32Å; I607-L654 HydrophobicContact CD1-CD2 4.05Å; I607-L654 HydrophobicContact CG2-CD1 4.05Å; I607-L654 HydrophobicContact CG2-CD2 4.01Å; I607-L654 HydrophobicContact CG2-CG 4.12Å; T648-L654 HydrophobicContact CG2-CD2 4Å; T648-L654 WeakPolarHBondContact OG1-CD1 3.48Å; C650-L654 WeakPolarHBondContact O-CD1 3.45Å; C650-L654 PolarHBondContact O-N 3.12Å; R651-L654 PolarHBondContact O-N 2.61Å; E652-L654 PolarHBondContact O-N 2.74Å; L654-Q657 PolarHBondContact O-N 3.25Å; L654-N658 PolarHBondContact O-N 3.02Å; L654-L659 HydrophobicContact CB-CB 4.46Å; L654-L659 HydrophobicContact CD2-CD2 4.46Å; L654-L659 HydrophobicContact CG-CB 4.45Å; L654-L659 HydrophobicContact CG-CD2 4.29Å; L654-L659 PolarHBondContact O-N 3.16Å; L654-T660 HydrophobicContact CB-CG2 3.79Å; L654-T660 PolarHBondContact O-N 3.03Å
655T91Very high91Very high59 Ų5949.4 Ų49.436%0.36226%0.255SS..Hα-helixtrans-69.6-45.5178.5-56.60000110.1R651 E652 A653 Q657 N658 T660R651-T655 WeakPolarHBondContact O-CB 3.48Å; R651-T655 PolarHBondContact O-N 3.3Å; R651-T655 PolarHBondContact O-OG1 3.28Å; E652-T655 WeakPolarHBondContact O-CA 3.33Å; E652-T655 WeakPolarHBondContact O-CB 3.37Å; E652-T655 PolarHBondContact O-N 3.01Å; A653-T655 VanDerWaalsContact C-N 3.29Å; A653-T655 PolarHBondContact O-N 3.35Å; T655-Q657 PolarHBondContact O-N 3.21Å; T655-N658 PolarHBondContact O-N 3.05Å; T655-T660 WeakPolarHBondContact OG1-CG2 3.12Å
656D87.6Confident90.9Very high116 Ų11653.3 Ų53.362%0.6227%0.273SS*.Hα-helixtrans-61.3-30.4176.8-67.2-15.4000112.4E652 A653 N658E652-D656 PolarHBondContact O-N 3.21Å; A653-D656 PolarHBondContact O-N 3.07Å; D656-N658 VanDerWaalsContact C-N 3.32Å
657Q85.9Confident90.8Very high37 Ų3753.4 Ų53.417%0.17327%0.274CS..THydrogen-bonded Turntrans-85.32.6175.4-59.4-44.6-44.400114.4F620 V625 R629 A653 L654 T655 L659F620-Q657 HydrophobicContact CE2-CG 4.4Å; V625-Q657 HydrophobicContact CG1-CB 4.25Å; R629-Q657 PolarHBondContact NH2-O 2.8Å; A653-Q657 WeakPolarHBondContact O-CG 3.49Å; A653-Q657 PolarHBondContact O-N 3.26Å; L654-Q657 PolarHBondContact O-N 3.25Å; T655-Q657 PolarHBondContact O-N 3.21Å; Q657-L659 HydrophobicContact CB-CB 4.49Å; Q657-L659 PolarHBondContact O-N 3.46Å
658N86.6Confident90.7Very high86 Ų8658.3 Ų58.346%0.4630%0.296SS..THydrogen-bonded Turntrans52.332.4-171.8-65.2-58.5000112.8R629 L654 T655 D656R629-N658 VanDerWaalsContact NH2-C 3.33Å; R629-N658 PolarHBondContact NH2-O 3.08Å; L654-N658 PolarHBondContact O-N 3.02Å; T655-N658 PolarHBondContact O-N 3.05Å; D656-N658 VanDerWaalsContact C-N 3.32Å
659L89.9Confident90.6Very high0 Ų058.3 Ų58.30%030%0.297CS..  trans-91.3-26.5179.5-168.261000111.4I607 I628 R629 L654 Q657 Q661 A662 F663I607-L659 HydrophobicContact CG2-CD2 3.76Å; I628-L659 HydrophobicContact CB-CD1 4.47Å; I628-L659 HydrophobicContact CG2-CD1 4.12Å; I628-L659 HydrophobicContact CG2-CD2 4.38Å; R629-L659 HydrophobicContact CB-CD1 4.21Å; L654-L659 HydrophobicContact CB-CB 4.46Å; L654-L659 HydrophobicContact CD2-CD2 4.46Å; L654-L659 HydrophobicContact CG-CB 4.45Å; L654-L659 HydrophobicContact CG-CD2 4.29Å; L654-L659 PolarHBondContact O-N 3.16Å; Q657-L659 HydrophobicContact CB-CB 4.49Å; Q657-L659 PolarHBondContact O-N 3.46Å; L659-Q661 VanDerWaalsContact C-N 3.27Å; L659-Q661 PolarHBondContact O-N 2.9Å; L659-A662 HydrophobicContact CD1-CB 4.41Å; L659-A662 WeakPolarHBondContact O-CB 3.49Å; L659-A662 PolarHBondContact O-N 3.17Å; L659-A662 VanDerWaalsContact O-N 3.11Å; L659-F663 HydrophobicContact CG-CE2 4.16Å; L659-F663 VanDerWaalsContact O-CD2 3.32Å; L659-F663 WeakPolarHBondContact O-CD2 3.07Å
660T89.8Confident90.5Very high14 Ų1458 Ų589%0.08630%0.296CS..G310 helixtrans-55.6-41.1174.845.70000112.5L542 L654 T655 A662 F663 H666L542-T660 HydrophobicContact CD2-CG2 4.39Å; L654-T660 HydrophobicContact CB-CG2 3.79Å; L654-T660 PolarHBondContact O-N 3.03Å; T655-T660 WeakPolarHBondContact OG1-CG2 3.12Å; T660-A662 PolarHBondContact O-N 2.98Å; T660-F663 PolarHBondContact O-N 3.12Å; T660-F663 VanDerWaalsContact O-N 3.09Å; T660-H666 PolarHBondContact O-CE1 3.26Å; T660-H666 VanDerWaalsContact O-CE1 3.28Å
661Q88.7Confident90.4Very high155 Ų15558.2 Ų58.272%0.72429%0.293SS*.G310 helixtrans-66.4-14.8-179.7-62.1176.57.200114.3L659 F663L659-Q661 VanDerWaalsContact C-N 3.27Å; L659-Q661 PolarHBondContact O-N 2.9Å; Q661-F663 VanDerWaalsContact C-N 3.27Å
662A89.6Confident90.3Very high25 Ų2551.9 Ų51.921%0.20727%0.269CS..G310 helixtrans-76.8-17.417500000112.4T540 V632 L659 T660T540-A662 PolarHBondContact OG1-O 3.22Å; V632-A662 HydrophobicContact CG1-CB 4.3Å; V632-A662 VanDerWaalsContact CG1-O 3.27Å; V632-A662 WeakPolarHBondContact CG1-O 3.39Å; L659-A662 HydrophobicContact CD1-CB 4.41Å; L659-A662 WeakPolarHBondContact O-CB 3.49Å; L659-A662 PolarHBondContact O-N 3.17Å; L659-A662 VanDerWaalsContact O-N 3.11Å; T660-A662 PolarHBondContact O-N 2.98Å
663F92.3Very high90.2Very high5 Ų546.9 Ų46.92%0.02225%0.252CS..  trans-97.2128.1178.6-60.6-82.9000110.2T540 L542 I607 V632 A646 L659 T660 Q661 H666T540-F663 WeakPolarHBondContact OG1-CA 3.35Å; L542-F663 HydrophobicContact CB-CB 3.84Å; L542-F663 HydrophobicContact CB-CD1 4.3Å; L542-F663 HydrophobicContact CB-CD2 4.36Å; L542-F663 HydrophobicContact CB-CG 3.91Å; L542-F663 HydrophobicContact CD1-CD2 4.34Å; L542-F663 HydrophobicContact CD1-CE2 4.39Å; L542-F663 HydrophobicContact CD2-CD2 4.23Å; I607-F663 HydrophobicContact CD1-CE2 4.03Å; I607-F663 HydrophobicContact CD1-CZ 3.67Å; V632-F663 HydrophobicContact CG2-CE1 4.22Å; V632-F663 HydrophobicContact CG2-CZ 4.44Å; A646-F663 HydrophobicContact CB-CD1 3.84Å; A646-F663 HydrophobicContact CB-CE1 3.24Å; A646-F663 HydrophobicContact CB-CE2 4.45Å; A646-F663 HydrophobicContact CB-CZ 3.59Å; L659-F663 HydrophobicContact CG-CE2 4.16Å; L659-F663 VanDerWaalsContact O-CD2 3.32Å; L659-F663 WeakPolarHBondContact O-CD2 3.07Å; T660-F663 PolarHBondContact O-N 3.12Å; T660-F663 VanDerWaalsContact O-N 3.09Å; Q661-F663 VanDerWaalsContact C-N 3.27Å; F663-H666 PolarHBondContact O-NE2 3.34Å
664S89.7Confident90.2Very high77 Ų7753.6 Ų53.654%0.53828%0.277SS..SBendtrans-71.5-44.3-175.7-61.50000111.7T540T540-S664 PolarHBondContact O-N 2.9Å; T540-S664 PolarHBondContact OG1-N 2.87Å; T540-S664 PolarHBondContact OG1-OG 2.86Å
665W93.2Very high90Very high81 Ų8154.9 Ų54.931%0.30729%0.285SS..EExtended strand (participates in β ladder)trans-118.2142.4-175-63.8-0.8000110.6M520 L523 A524 A527 L539 T540 L541 L542M520-W665 HydrophobicContact CE-CE3 4.09Å; M520-W665 HydrophobicContact CE-CZ3 4.42Å; L523-W665 HydrophobicContact CB-CH2 4.48Å; L523-W665 HydrophobicContact CB-CZ3 4.19Å; A524-W665 VanDerWaalsContact CA-CZ3 3.47Å; A524-W665 HydrophobicContact CB-CE3 3.92Å; A524-W665 HydrophobicContact CB-CZ3 3.61Å; A527-W665 HydrophobicContact CB-CH2 4.36Å; L539-W665 HydrophobicContact CD1-CZ2 4.43Å; L539-W665 HydrophobicContact CD2-CH2 4.42Å; T540-W665 PolarHBondContact O-N 3.05Å; L541-W665 CarbonylContact C-O 3.57Å; L541-W665 WeakPolarHBondContact CA-O 3.28Å; L541-W665 HydrophobicContact CD1-CB 3.48Å; L541-W665 VanDerWaalsContact CD1-CB 3.48Å; L541-W665 HydrophobicContact CD1-CE3 4.27Å; L542-W665 PolarHBondContact N-O 3.19Å
666H94.1Very high89.9Confident81 Ų8158.1 Ų58.138%0.37530%0.296SS..EExtended strand (participates in β ladder)trans-123.7130.9179.8-61-92.3000109.8T660 F663T660-H666 PolarHBondContact O-CE1 3.26Å; T660-H666 VanDerWaalsContact O-CE1 3.28Å; F663-H666 PolarHBondContact O-NE2 3.34Å
667V94.4Very high90Very high2 Ų254 Ų541%0.01227%0.273CS..EExtended strand (participates in β ladder)trans-127.7121.3176.6172.50000108.6A517 M520 L541 L542 L543 E544A517-V667 HydrophobicContact CB-CG1 3.72Å; M520-V667 HydrophobicContact CB-CG2 3.74Å; M520-V667 HydrophobicContact CG-CG2 4.04Å; L541-V667 HydrophobicContact CD1-CG2 3.72Å; L542-V667 PolarHBondContact O-N 3.03Å; L543-V667 WeakPolarHBondContact CA-O 3.45Å; L543-V667 HydrophobicContact CD2-CB 3.84Å; L543-V667 HydrophobicContact CD2-CG1 4.08Å; E544-V667 PolarHBondContact N-O 3.13Å
668H94.4Very high90.2Very high105 Ų10552.3 Ų52.349%0.48627%0.265SS..EExtended strand (participates in β ladder)trans-83.7124.8175.1-172.974.4000110.7E544E544-H668 CarbonylContact O-C 3.52Å; E544-H668 WeakPolarHBondContact O-CA 3.43Å
669V93.1Very high90.3Very high1 Ų148.8 Ų48.81%0.00625%0.246CC..  trans-101.2105.2174.3-176.20000108.2L543 E544 P546 A549 K551 L554L543-V669 HydrophobicContact CB-CG2 4.45Å; E544-V669 PolarHBondContact O-N 3.45Å; P546-V669 WeakPolarHBondContact CD-O 3.27Å; A549-V669 HydrophobicContact CB-CG1 4.07Å; K551-V669 HydrophobicContact CG-CB 4.01Å; K551-V669 HydrophobicContact CG-CG1 4.33Å; K551-V669 HydrophobicContact CG-CG2 4.08Å; L554-V669 HydrophobicContact CD1-CB 4.4Å; L554-V669 HydrophobicContact CD1-CG1 3.65Å; L554-V669 HydrophobicContact CD1-CG2 3.77Å
670A90.5Very high90.3Very high28 Ų2850 Ų5023%0.23126%0.256CS..  trans-74.2161.7-176.200000112.8W510 S513W510-A670 WeakPolarHBondContact CH2-O 3.24Å; S513-A670 PolarHBondContact OG-N 3Å
671M90.1Very high90.3Very high54 Ų5449.4 Ų49.427%0.26625%0.253SS..  trans-80.2164.3164.2-74.5173.5159.300110.8P546 S673P546-M671 HydrophobicContact CB-CE 3.21Å; P546-M671 HydrophobicContact CB-CG 3.94Å; P546-M671 HydrophobicContact CB-SD 3.8Å; P546-M671 HydrophobicContact CG-CE 4.03Å; P546-M671 HydrophobicContact CG-CG 3.88Å; P546-M671 HydrophobicContact CG-SD 3.93Å; M671-S673 PolarHBondContact O-N 3.26Å; M671-S673 VanDerWaalsContact O-N 3.13Å
672L89.1Confident90.4Very high0 Ų042 Ų420%022%0.218CC..BIsolated β-bridgetrans-68.7110.6169.7-65.393.2000108.7W510 H677 L678 A681 L705 I707 I709 L712W510-L672 HydrophobicContact CD2-CD2 4.31Å; W510-L672 HydrophobicContact CD2-CG 4.07Å; W510-L672 HydrophobicContact CE3-CD2 4.36Å; W510-L672 HydrophobicContact CE3-CG 3.96Å; W510-L672 HydrophobicContact CG-CD2 4.49Å; W510-L672 HydrophobicContact CH2-CG 4.34Å; W510-L672 HydrophobicContact CZ2-CD1 4.42Å; W510-L672 HydrophobicContact CZ2-CG 4.44Å; W510-L672 HydrophobicContact CZ3-CG 4.1Å; L672-H677 HydrophobicContact CB-CB 4.27Å; L672-H677 HydrophobicContact CD2-CB 4.11Å; L672-H677 WeakPolarHBondContact CD2-O 3.41Å; L672-H677 HydrophobicContact CG-CB 4.32Å; L672-L678 HydrophobicContact CD2-CB 4.41Å; L672-A681 HydrophobicContact CD2-CB 4.07Å; L672-L705 CarbonylContact O-C 3.59Å; L672-L705 VanDerWaalsContact O-C 3.31Å; L672-L705 VanDerWaalsContact O-CB 3.31Å; L672-L705 WeakPolarHBondContact O-CB 3.2Å; L672-I707 HydrophobicContact CB-CG2 3.93Å; L672-I707 HydrophobicContact CD1-CG2 4.42Å; L672-I707 WeakPolarHBondContact CD1-O 3.33Å; L672-I707 PolarHBondContact N-O 2.81Å; L672-I707 PolarHBondContact O-N 3.48Å; L672-I709 HydrophobicContact CD1-CB 3.97Å; L672-I709 HydrophobicContact CD1-CD1 4.22Å; L672-L712 HydrophobicContact CD2-CD2 3.82Å
673S87.1Confident90.4Very high56 Ų5646.5 Ų46.539%0.39224%0.235SC..  trans-104.9-31.3-175.956.40000115.3M671 L705M671-S673 PolarHBondContact O-N 3.26Å; M671-S673 VanDerWaalsContact O-N 3.13Å; S673-L705 VanDerWaalsContact CA-O 3.24Å; S673-L705 WeakPolarHBondContact CA-O 3.2Å; S673-L705 PolarHBondContact O-N 3.08Å
674R87.5Confident90Very high143 Ų14351.6 Ų51.654%0.5426%0.259SS..SBendtrans-105.8147.4-177.3-61.8-178.5-178.6170.22.8110.5E676 H677 L678R674-E676 PolarHBondContact O-N 3.46Å; R674-H677 WeakPolarHBondContact O-CB 3.46Å; R674-H677 PolarHBondContact O-N 3.29Å; R674-H677 VanDerWaalsContact O-N 3.08Å; R674-L678 PolarHBondContact O-N 3.29Å
675P86.3Confident89.9Confident28 Ų2849.3 Ų49.318%0.18224%0.24CC..Hα-helixtrans-54.3-38.2172.7-26.835.4000112.9H677 L678 I679 L700P675-H677 VanDerWaalsContact C-N 3.28Å; P675-H677 PolarHBondContact O-N 3.3Å; P675-L678 WeakPolarHBondContact O-CB 3.31Å; P675-L678 PolarHBondContact O-N 3.02Å; P675-I679 PolarHBondContact O-N 3.27Å; P675-L700 HydrophobicContact CB-CB 4.12Å; P675-L700 HydrophobicContact CG-CB 4.18Å; P675-L700 WeakPolarHBondContact CG-O 3.38Å
676E88.2Confident89.5Confident126 Ų12648 Ų4859%0.58925%0.253SS*.Hα-helixtrans-53.8-42.2175.5-64.8162.9-168.900112.5R674 L678 I679 A680R674-E676 PolarHBondContact O-N 3.46Å; E676-L678 VanDerWaalsContact C-N 3.31Å; E676-L678 PolarHBondContact O-N 3.44Å; E676-I679 PolarHBondContact O-N 2.98Å; E676-A680 WeakPolarHBondContact O-CB 3.48Å; E676-A680 PolarHBondContact O-N 3.08Å
677H90.1Very high89.1Confident31 Ų3148.5 Ų48.514%0.14425%0.251CS..Hα-helixtrans-64.2-39.7178-60.4169.7000111.3W510 L672 R674 P675 A681W510-H677 HydrophobicContact CE3-CB 3.77Å; W510-H677 AromaticContact CE3-CG 3.96Å; W510-H677 HydrophobicContact CZ3-CB 4.24Å; W510-H677 AromaticContact CZ3-ND1 3.83Å; W510-H677 WeakPolarHBondContact O-CA 3.43Å; L672-H677 HydrophobicContact CB-CB 4.27Å; L672-H677 HydrophobicContact CD2-CB 4.11Å; L672-H677 WeakPolarHBondContact CD2-O 3.41Å; L672-H677 HydrophobicContact CG-CB 4.32Å; R674-H677 WeakPolarHBondContact O-CB 3.46Å; R674-H677 PolarHBondContact O-N 3.29Å; R674-H677 VanDerWaalsContact O-N 3.08Å; P675-H677 VanDerWaalsContact C-N 3.28Å; P675-H677 PolarHBondContact O-N 3.3Å; H677-A681 PolarHBondContact O-N 3.47Å; H677-A681 VanDerWaalsContact O-N 3.08Å
678L89Confident88.7Confident0 Ų048.9 Ų48.90%025%0.253CS..Hα-helixtrans-68.4-42.7179.9-178.3148.5000110.6L672 R674 P675 E676 A681 L682 I696 L700 L705 L712 F731 L735L672-L678 HydrophobicContact CD2-CB 4.41Å; R674-L678 PolarHBondContact O-N 3.29Å; P675-L678 WeakPolarHBondContact O-CB 3.31Å; P675-L678 PolarHBondContact O-N 3.02Å; E676-L678 VanDerWaalsContact C-N 3.31Å; E676-L678 PolarHBondContact O-N 3.44Å; L678-A681 PolarHBondContact O-N 2.93Å; L678-L682 HydrophobicContact CD2-CD1 3.5Å; L678-L682 VanDerWaalsContact CD2-CD1 3.5Å; L678-L682 HydrophobicContact CD2-CG 4.06Å; L678-L682 WeakPolarHBondContact O-CG 3.46Å; L678-L682 PolarHBondContact O-N 3.18Å; L678-I696 HydrophobicContact CD2-CG2 3.79Å; L678-L700 HydrophobicContact CD1-CD1 4.1Å; L678-L700 HydrophobicContact CD2-CD1 4.06Å; L678-L705 HydrophobicContact CB-CD1 3.85Å; L678-L705 HydrophobicContact CD1-CD1 3.72Å; L678-L705 HydrophobicContact CG-CD1 4.42Å; L678-L712 HydrophobicContact CD1-CD1 4.25Å; L678-L712 HydrophobicContact CG-CD1 4.46Å; L678-F731 HydrophobicContact CD1-CZ 4.45Å; L678-F731 HydrophobicContact CD2-CE1 4.34Å; L678-L735 HydrophobicContact CD1-CD1 4.2Å; L678-L735 HydrophobicContact CD1-CD2 3.76Å
679I89.7Confident88.4Confident12 Ų1247.6 Ų47.66%0.06225%0.252CS..Hα-helixtrans-63.3-45.7176.8-61.5-56.2000110.8P675 E676 A681 L682 E683 I696 E697P675-I679 PolarHBondContact O-N 3.27Å; E676-I679 PolarHBondContact O-N 2.98Å; I679-A681 VanDerWaalsContact C-N 3.28Å; I679-A681 PolarHBondContact O-N 3.36Å; I679-L682 HydrophobicContact CD1-CD1 4.42Å; I679-L682 CarbonylContact O-C 3.56Å; I679-L682 PolarHBondContact O-N 3.49Å; I679-E683 HydrophobicContact CG2-CG 4.18Å; I679-E683 WeakPolarHBondContact O-CG 3.35Å; I679-E683 PolarHBondContact O-N 3.15Å; I679-I696 HydrophobicContact CD1-CB 4.5Å; I679-I696 HydrophobicContact CD1-CG2 4.25Å; I679-E697 HydrophobicContact CD1-CB 3.83Å; I679-E697 HydrophobicContact CD1-CG 4.49Å; I679-E697 HydrophobicContact CG1-CB 3.96Å; I679-E697 HydrophobicContact CG1-CG 4.06Å
680A89.8Confident88.1Confident26 Ų2651.5 Ų51.522%0.21528%0.28CS..Hα-helixtrans-57.8-40.3175.700000112.5W510 E676 E683 E684W510-A680 HydrophobicContact CB-CB 4.37Å; E676-A680 WeakPolarHBondContact O-CB 3.48Å; E676-A680 PolarHBondContact O-N 3.08Å; A680-E683 PolarHBondContact O-N 3.35Å; A680-E684 WeakPolarHBondContact O-CG 3.37Å; A680-E684 PolarHBondContact O-N 2.96Å; A680-E684 VanDerWaalsContact O-N 3.15Å
681A90.2Very high88Confident1 Ų158 Ų581%0.00830%0.303CS..Hα-helixtrans-66.4-37.1174.400000113.1W510 L672 H677 L678 I679 D685 I709 L712W510-A681 HydrophobicContact CB-CB 3.88Å; L672-A681 HydrophobicContact CD2-CB 4.07Å; H677-A681 PolarHBondContact O-N 3.47Å; H677-A681 VanDerWaalsContact O-N 3.08Å; L678-A681 PolarHBondContact O-N 2.93Å; I679-A681 VanDerWaalsContact C-N 3.28Å; I679-A681 PolarHBondContact O-N 3.36Å; A681-D685 PolarHBondContact O-N 2.59Å; A681-I709 HydrophobicContact CB-CD1 3.99Å; A681-L712 HydrophobicContact CB-CD2 3.77Å
682L89.7Confident87.9Confident1 Ų156.4 Ų56.41%0.00530%0.295CS..Hα-helixtrans-72.4-34.3176.8-70.3-178.7000112.8L678 I679 G686 F688 I696 I716 F731L678-L682 HydrophobicContact CD2-CD1 3.5Å; L678-L682 VanDerWaalsContact CD2-CD1 3.5Å; L678-L682 HydrophobicContact CD2-CG 4.06Å; L678-L682 WeakPolarHBondContact O-CG 3.46Å; L678-L682 PolarHBondContact O-N 3.18Å; I679-L682 HydrophobicContact CD1-CD1 4.42Å; I679-L682 CarbonylContact O-C 3.56Å; I679-L682 PolarHBondContact O-N 3.49Å; L682-G686 PolarHBondContact O-N 3.19Å; L682-G686 VanDerWaalsContact O-N 3.11Å; L682-F688 HydrophobicContact CD2-CD2 3.74Å; L682-F688 HydrophobicContact CD2-CE2 3.94Å; L682-I696 HydrophobicContact CD1-CD1 3.95Å; L682-I696 HydrophobicContact CD1-CG2 4.38Å; L682-I716 HydrophobicContact CD2-CD1 3.53Å; L682-I716 HydrophobicContact CD2-CG1 3.9Å; L682-F731 HydrophobicContact CD1-CE1 4.43Å; L682-F731 HydrophobicContact CD1-CZ 4.48Å; L682-F731 HydrophobicContact CD2-CZ 4.36Å
683E89.2Confident87.9Confident119 Ų11957.2 Ų57.256%0.55630%0.298SS*.Hα-helixtrans-63.7-44.6174.4-76179.4172.300111I679 A680 G686I679-E683 HydrophobicContact CG2-CG 4.18Å; I679-E683 WeakPolarHBondContact O-CG 3.35Å; I679-E683 PolarHBondContact O-N 3.15Å; A680-E683 PolarHBondContact O-N 3.35Å; E683-G686 PolarHBondContact O-N 2.79Å
684E85.9Confident87.9Confident112 Ų11259.7 Ų59.752%0.52330%0.304SS..Hα-helixtrans-66.6-36176.4-73.6-10514300113.2M508 A680M508-E684 HydrophobicContact CB-CB 4.35Å; M508-E684 HydrophobicContact CG-CB 4.11Å; A680-E684 WeakPolarHBondContact O-CG 3.37Å; A680-E684 PolarHBondContact O-N 2.96Å; A680-E684 VanDerWaalsContact O-N 3.15Å
685D86.1Confident88Confident28 Ų2857.1 Ų57.115%0.1530%0.3CS..Hα-helixtrans-74.6-30.2178.4-171.181.6000113R505 M508 A681 R687 I716R505-D685 IonicContact CZ-OD1 2.81Å; R505-D685 IonicContact NH1-OD1 3.99Å; R505-D685 PolarHBondContact NH1-OD1 3.11Å; M508-D685 HydrophobicContact CE-CB 3.8Å; A681-D685 PolarHBondContact O-N 2.59Å; D685-R687 VanDerWaalsContact C-N 3.3Å; D685-R687 PolarHBondContact O-N 3.42Å; D685-R687 VanDerWaalsContact OD2-CD 3.23Å; D685-R687 WeakPolarHBondContact OD2-CD 3.42Å; D685-R687 WeakPolarHBondContact OD2-CG 3.43Å; D685-R687 IonicContact OD2-NE 3.19Å; D685-I716 WeakPolarHBondContact OD2-CG2 3.33Å
686G85.5Confident88.1Confident55 Ų5555.8 Ų55.857%0.56729%0.291SS*.  trans74.24.4170.400000116.8L682 E683L682-G686 PolarHBondContact O-N 3.19Å; L682-G686 VanDerWaalsContact O-N 3.11Å; E683-G686 PolarHBondContact O-N 2.79Å
687R85.2Confident88Confident91 Ų9154 Ų5434%0.34328%0.283SS..  trans-82.5-23.3-179.1-69.3-176.7-169-178.712.6115.3D685 I716 D717 S720 R727D685-R687 VanDerWaalsContact C-N 3.3Å; D685-R687 PolarHBondContact O-N 3.42Å; D685-R687 VanDerWaalsContact OD2-CD 3.23Å; D685-R687 WeakPolarHBondContact OD2-CD 3.42Å; D685-R687 WeakPolarHBondContact OD2-CG 3.43Å; D685-R687 IonicContact OD2-NE 3.19Å; R687-I716 HydrophobicContact CB-CG2 4.48Å; R687-D717 IonicContact CZ-OD1 3.75Å; R687-D717 IonicContact NH1-OD1 3.79Å; R687-D717 PolarHBondContact NH1-OD1 3.44Å; R687-D717 IonicContact NH2-OD1 3.6Å; R687-D717 PolarHBondContact NH2-OD1 3.35Å; R687-S720 PolarHBondContact NH1-OG 3.38Å; R687-R727 PolarHBondContact O-NH1 2.92Å; R687-R727 VanDerWaalsContact O-NH1 3.16Å
688F86.7Confident87.9Confident9 Ų959.9 Ų59.94%0.03931%0.308CS..SBendtrans-96.5137174.7-73.3-93.5000109.6L682 E692 Q693 I696 I716 V719 R727 F731L682-F688 HydrophobicContact CD2-CD2 3.74Å; L682-F688 HydrophobicContact CD2-CE2 3.94Å; F688-E692 WeakPolarHBondContact CA-OE2 3.14Å; F688-E692 HydrophobicContact CB-CB 4.37Å; F688-E692 HydrophobicContact CD1-CB 4.04Å; F688-Q693 HydrophobicContact CB-CG 4.03Å; F688-Q693 PolarHBondContact O-NE2 3.5Å; F688-I696 HydrophobicContact CD1-CD1 3.88Å; F688-I696 HydrophobicContact CE1-CD1 3.96Å; F688-I696 HydrophobicContact CG-CD1 4.45Å; F688-I716 HydrophobicContact CE2-CG1 4.19Å; F688-I716 HydrophobicContact CE2-CG2 4.2Å; F688-V719 HydrophobicContact CZ-CG1 4.46Å; F688-R727 HydrophobicContact CE1-CG 3.76Å; F688-R727 HydrophobicContact CZ-CG 4.18Å; F688-F731 HydrophobicContact CE1-CB 4.36Å; F688-F731 HydrophobicContact CE1-CG 4.44Å; F688-F731 HydrophobicContact CE2-CD2 4.41Å; F688-F731 HydrophobicContact CZ-CB 4.13Å; F688-F731 AromaticContact CZ-CD2 3.86Å; F688-F731 HydrophobicContact CZ-CD2 3.86Å; F688-F731 HydrophobicContact CZ-CE2 4.45Å; F688-F731 AromaticContact CZ-CG 3.94Å; F688-F731 HydrophobicContact CZ-CG 3.94Å
689T87.5Confident87.7Confident79 Ų7962.4 Ų62.449%0.48533%0.326SS..  trans-71.4156.5174.763.20000110.7K691 E692 Q693T689-K691 PolarHBondContact O-N 3.41Å; T689-K691 VanDerWaalsContact O-N 3.1Å; T689-E692 PolarHBondContact N-OE2 2.98Å; T689-E692 WeakPolarHBondContact O-CB 3.43Å; T689-E692 PolarHBondContact O-N 3.01Å; T689-E692 WeakPolarHBondContact OG1-CG 3.43Å; T689-E692 PolarHBondContact OG1-N 3.46Å; T689-E692 PolarHBondContact OG1-OE2 3.06Å; T689-Q693 WeakPolarHBondContact O-CG 3.27Å; T689-Q693 PolarHBondContact O-N 3.18Å
690S87.8Confident87.5Confident83 Ų8361.9 Ų61.958%0.5832%0.323SS*.Hα-helixtrans-57.8-29.2178.4-47.20000113.4Q694S690-Q694 WeakPolarHBondContact O-CG 3.39Å; S690-Q694 PolarHBondContact O-N 3Å; S690-Q694 VanDerWaalsContact O-N 3.15Å
691K88.1Confident87Confident163 Ų16364.8 Ų64.871%0.70934%0.342SS*.Hα-helixtrans-69-44173.8-69.7-175.7-179.9179.20111.7T689 Q694 I695T689-K691 PolarHBondContact O-N 3.41Å; T689-K691 VanDerWaalsContact O-N 3.1Å; K691-Q694 PolarHBondContact O-N 3.26Å; K691-I695 WeakPolarHBondContact O-CG1 3.47Å; K691-I695 PolarHBondContact O-N 2.88Å
692E88.1Confident86.4Confident21 Ų2168.1 Ų68.110%0.09838%0.376CS..Hα-helixtrans-64.9-41.8177.2-68.3169.1134.500111.1F688 T689 Q694 I695 I696 V728F688-E692 WeakPolarHBondContact CA-OE2 3.14Å; F688-E692 HydrophobicContact CB-CB 4.37Å; F688-E692 HydrophobicContact CD1-CB 4.04Å; T689-E692 PolarHBondContact N-OE2 2.98Å; T689-E692 WeakPolarHBondContact O-CB 3.43Å; T689-E692 PolarHBondContact O-N 3.01Å; T689-E692 WeakPolarHBondContact OG1-CG 3.43Å; T689-E692 PolarHBondContact OG1-N 3.46Å; T689-E692 PolarHBondContact OG1-OE2 3.06Å; E692-Q694 PolarHBondContact O-N 2.91Å; E692-I695 PolarHBondContact O-N 3.27Å; E692-I695 VanDerWaalsContact O-N 3.15Å; E692-I696 VanDerWaalsContact O-CG1 3.32Å; E692-I696 WeakPolarHBondContact O-CG1 3.49Å; E692-I696 PolarHBondContact O-N 3.21Å; E692-V728 HydrophobicContact CB-CG2 3.6Å; E692-V728 HydrophobicContact CG-CG2 3.54Å
693Q88.2Confident86.1Confident17 Ų1772.3 Ų72.38%0.07939%0.392CS..Hα-helixtrans-58.1-45.3175.4-69.4168.2-12.100111.7F688 T689 I695 I696 E697F688-Q693 HydrophobicContact CB-CG 4.03Å; F688-Q693 PolarHBondContact O-NE2 3.5Å; T689-Q693 WeakPolarHBondContact O-CG 3.27Å; T689-Q693 PolarHBondContact O-N 3.18Å; Q693-I695 VanDerWaalsContact C-N 3.31Å; Q693-I695 PolarHBondContact O-N 3.41Å; Q693-I696 PolarHBondContact O-N 2.98Å; Q693-E697 WeakPolarHBondContact O-CB 3.38Å; Q693-E697 PolarHBondContact O-N 2.79Å
694Q87.9Confident85.7Confident109 Ų10973.9 Ų73.951%0.50939%0.393SS..Hα-helixtrans-63.1-34.6176-74.6176.36.100113.3S690 K691 E692 K698S690-Q694 WeakPolarHBondContact O-CG 3.39Å; S690-Q694 PolarHBondContact O-N 3Å; S690-Q694 VanDerWaalsContact O-N 3.15Å; K691-Q694 PolarHBondContact O-N 3.26Å; E692-Q694 PolarHBondContact O-N 2.91Å; Q694-K698 WeakPolarHBondContact O-CB 3.44Å; Q694-K698 VanDerWaalsContact O-CG 3.28Å; Q694-K698 WeakPolarHBondContact O-CG 3.34Å; Q694-K698 PolarHBondContact O-N 2.94Å; Q694-K698 VanDerWaalsContact O-N 3.07Å
695I88.2Confident85.7Confident89 Ų8968.6 Ų68.646%0.45637%0.368SS..Hα-helixtrans-68.5-42.9175.8-64.8164.1000109.9K691 E692 Q693 S699 V728K691-I695 WeakPolarHBondContact O-CG1 3.47Å; K691-I695 PolarHBondContact O-N 2.88Å; E692-I695 PolarHBondContact O-N 3.27Å; E692-I695 VanDerWaalsContact O-N 3.15Å; Q693-I695 VanDerWaalsContact C-N 3.31Å; Q693-I695 PolarHBondContact O-N 3.41Å; I695-S699 WeakPolarHBondContact O-CB 3.41Å; I695-S699 PolarHBondContact O-N 2.73Å; I695-S699 PolarHBondContact O-OG 3.03Å; I695-V728 HydrophobicContact CB-CG1 4.33Å; I695-V728 HydrophobicContact CG2-CG1 3.77Å
696I88.3Confident85.7Confident0 Ų070.4 Ų70.40%038%0.382CS..Hα-helixtrans-62.8-48176.8-67166.3000110.2L678 I679 L682 F688 E692 Q693 K698 S699 L700 V728 F731 L732L678-I696 HydrophobicContact CD2-CG2 3.79Å; I679-I696 HydrophobicContact CD1-CB 4.5Å; I679-I696 HydrophobicContact CD1-CG2 4.25Å; L682-I696 HydrophobicContact CD1-CD1 3.95Å; L682-I696 HydrophobicContact CD1-CG2 4.38Å; F688-I696 HydrophobicContact CD1-CD1 3.88Å; F688-I696 HydrophobicContact CE1-CD1 3.96Å; F688-I696 HydrophobicContact CG-CD1 4.45Å; E692-I696 VanDerWaalsContact O-CG1 3.32Å; E692-I696 WeakPolarHBondContact O-CG1 3.49Å; E692-I696 PolarHBondContact O-N 3.21Å; Q693-I696 PolarHBondContact O-N 2.98Å; I696-K698 PolarHBondContact O-N 3.4Å; I696-S699 PolarHBondContact O-N 2.96Å; I696-L700 HydrophobicContact CG2-CD1 3.69Å; I696-L700 HydrophobicContact CG2-CG 4.45Å; I696-L700 WeakPolarHBondContact O-CB 3.44Å; I696-L700 WeakPolarHBondContact O-CG 3.23Å; I696-L700 PolarHBondContact O-N 3.11Å; I696-V728 HydrophobicContact CG1-CG1 3.87Å; I696-F731 HydrophobicContact CD1-CD1 3.84Å; I696-F731 HydrophobicContact CD1-CE1 4.12Å; I696-F731 HydrophobicContact CG1-CD1 4.24Å; I696-F731 HydrophobicContact CG2-CD1 4.43Å; I696-F731 HydrophobicContact CG2-CE1 4.09Å; I696-L732 HydrophobicContact CG2-CD2 4.31Å
697E87.8Confident85.9Confident88 Ų8867.9 Ų67.941%0.41136%0.356SS..Hα-helixtrans-58.9-47.3179.5-170.4-178.7-168.300111.8I679 Q693 S699 L700 S701I679-E697 HydrophobicContact CD1-CB 3.83Å; I679-E697 HydrophobicContact CD1-CG 4.49Å; I679-E697 HydrophobicContact CG1-CB 3.96Å; I679-E697 HydrophobicContact CG1-CG 4.06Å; Q693-E697 WeakPolarHBondContact O-CB 3.38Å; Q693-E697 PolarHBondContact O-N 2.79Å; E697-S699 VanDerWaalsContact C-N 3.31Å; E697-S699 PolarHBondContact O-N 2.81Å; E697-L700 PolarHBondContact O-N 3.25Å; E697-S701 PolarHBondContact O-N 3.26Å
698K87.5Confident86.1Confident154 Ų15463.7 Ų63.767%0.6734%0.341SS*.Hα-helixtrans-61-41176.3-76.3178-178.1179.90112.2Q694 I696 L700 S701Q694-K698 WeakPolarHBondContact O-CB 3.44Å; Q694-K698 VanDerWaalsContact O-CG 3.28Å; Q694-K698 WeakPolarHBondContact O-CG 3.34Å; Q694-K698 PolarHBondContact O-N 2.94Å; Q694-K698 VanDerWaalsContact O-N 3.07Å; I696-K698 PolarHBondContact O-N 3.4Å; K698-L700 VanDerWaalsContact C-N 3.25Å; K698-L700 PolarHBondContact O-N 3.49Å; K698-S701 PolarHBondContact O-N 3.04Å; K698-S701 PolarHBondContact O-OG 3.48Å
699S85.6Confident86.3Confident53 Ų5364.1 Ų64.137%0.37134%0.344SS..Hα-helixtrans-68.6-26.1-179.7-55.90000112.7I695 I696 E697I695-S699 WeakPolarHBondContact O-CB 3.41Å; I695-S699 PolarHBondContact O-N 2.73Å; I695-S699 PolarHBondContact O-OG 3.03Å; I696-S699 PolarHBondContact O-N 2.96Å; E697-S699 VanDerWaalsContact C-N 3.31Å; E697-S699 PolarHBondContact O-N 2.81Å
700L84.1Confident86.4Confident1 Ų166.4 Ų66.41%0.00535%0.347CS..Hα-helixtrans-97-5.5180-65.4175.5000113.6P675 L678 I696 E697 K698 G702 R703 L705 L732 L735 I740P675-L700 HydrophobicContact CB-CB 4.12Å; P675-L700 HydrophobicContact CG-CB 4.18Å; P675-L700 WeakPolarHBondContact CG-O 3.38Å; L678-L700 HydrophobicContact CD1-CD1 4.1Å; L678-L700 HydrophobicContact CD2-CD1 4.06Å; I696-L700 HydrophobicContact CG2-CD1 3.69Å; I696-L700 HydrophobicContact CG2-CG 4.45Å; I696-L700 WeakPolarHBondContact O-CB 3.44Å; I696-L700 WeakPolarHBondContact O-CG 3.23Å; I696-L700 PolarHBondContact O-N 3.11Å; E697-L700 PolarHBondContact O-N 3.25Å; K698-L700 VanDerWaalsContact C-N 3.25Å; K698-L700 PolarHBondContact O-N 3.49Å; L700-G702 PolarHBondContact O-N 3.25Å; L700-R703 PolarHBondContact O-N 3.29Å; L700-L705 HydrophobicContact CD1-CD1 4.37Å; L700-L705 HydrophobicContact CD2-CD2 4.15Å; L700-L732 HydrophobicContact CD2-CD2 4.38Å; L700-L732 HydrophobicContact CG-CD2 4.33Å; L700-L735 HydrophobicContact CD1-CD2 3.81Å; L700-L735 HydrophobicContact CD2-CD2 3.91Å; L700-L735 HydrophobicContact CG-CD2 4.46Å; L700-I740 HydrophobicContact CD2-CD1 3.79Å
701S79.4Confident86.5Confident88 Ų8864.2 Ų64.262%0.61533%0.327SS*.THydrogen-bonded Turntrans-58122.5178.866.10000111.2E697 K698E697-S701 PolarHBondContact O-N 3.26Å; K698-S701 PolarHBondContact O-N 3.04Å; K698-S701 PolarHBondContact O-OG 3.48Å
702G78.3Confident86.6Confident71 Ų7156.4 Ų56.473%0.73229%0.293SS*.THydrogen-bonded Turntrans84.8-1.7-176.900000116.1L700L700-G702 PolarHBondContact O-N 3.25Å
703R82.1Confident86.7Confident89 Ų8956.8 Ų56.834%0.33630%0.296SS..PPolyproline II helixtrans-98.3150.9174.7-61.4-167.7-179.4-178.4-0.2111.7L700 E736 I740L700-R703 PolarHBondContact O-N 3.29Å; R703-E736 IonicContact CZ-OE1 3.5Å; R703-E736 IonicContact NH1-OE1 3.74Å; R703-E736 PolarHBondContact NH1-OE1 2.96Å; R703-E736 IonicContact NH2-OE1 3.48Å; R703-I740 HydrophobicContact CB-CG2 4.39Å
704R82.4Confident86.7Confident152 Ų15259.3 Ų59.357%0.57431%0.31SS*.EExtended strand (participates in β ladder)trans-96.3138.2170.8-66.1-172.1-172.6-164.64.6110.7V741 E743R704-V741 PolarHBondContact O-N 3.33Å; R704-V741 VanDerWaalsContact O-N 3.11Å; R704-E743 HydrophobicContact CG-CG 4.24Å; R704-E743 IonicContact CZ-OE1 3.63Å; R704-E743 VanDerWaalsContact CZ-OE1 3.31Å; R704-E743 IonicContact NE-OE1 3.75Å; R704-E743 PolarHBondContact NE-OE1 3.02Å; R704-E743 IonicContact NH2-OE1 2.8Å; R704-E743 PolarHBondContact NH2-OE1 3.47Å
705L84.3Confident86.8Confident1 Ų154.6 Ų54.61%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-102.9151176.2-61.3171.6000109.7L672 S673 L678 L700 L735 G739 I740L672-L705 CarbonylContact O-C 3.59Å; L672-L705 VanDerWaalsContact O-C 3.31Å; L672-L705 VanDerWaalsContact O-CB 3.31Å; L672-L705 WeakPolarHBondContact O-CB 3.2Å; S673-L705 VanDerWaalsContact CA-O 3.24Å; S673-L705 WeakPolarHBondContact CA-O 3.2Å; S673-L705 PolarHBondContact O-N 3.08Å; L678-L705 HydrophobicContact CB-CD1 3.85Å; L678-L705 HydrophobicContact CD1-CD1 3.72Å; L678-L705 HydrophobicContact CG-CD1 4.42Å; L700-L705 HydrophobicContact CD1-CD1 4.37Å; L700-L705 HydrophobicContact CD2-CD2 4.15Å; L705-L735 HydrophobicContact CD2-CD2 4.1Å; L705-L735 HydrophobicContact CD2-CG 4.35Å; L705-G739 CarbonylContact C-O 3.58Å; L705-G739 WeakPolarHBondContact CA-O 3.24Å; L705-I740 HydrophobicContact CD2-CG1 4.09Å
706C86.4Confident86.8Confident65 Ų6550.4 Ų50.444%0.43927%0.266SS..  trans-141.962.8172.3-82.80000108.7G739 V741C706-G739 PolarHBondContact N-O 3.08Å; C706-V741 HydrophobicContact CB-CG2 4.02Å
707I89.3Confident86.8Confident2 Ų253 Ų531%0.0128%0.28CS..BIsolated β-bridgetrans-120.3134.3-177.2-168.8166.8000111.7L672 H711 L712 L715 L735L672-I707 HydrophobicContact CB-CG2 3.93Å; L672-I707 HydrophobicContact CD1-CG2 4.42Å; L672-I707 WeakPolarHBondContact CD1-O 3.33Å; L672-I707 PolarHBondContact N-O 2.81Å; L672-I707 PolarHBondContact O-N 3.48Å; I707-H711 HydrophobicContact CG1-CB 4.24Å; I707-L712 HydrophobicContact CD1-CB 4.12Å; I707-L712 HydrophobicContact CD1-CD1 4.48Å; I707-L712 HydrophobicContact CG1-CB 4.38Å; I707-L715 HydrophobicContact CD1-CD1 3.57Å; I707-L735 HydrophobicContact CD1-CD1 3.75Å
708G90.1Very high86.8Confident3 Ų353.2 Ų53.23%0.03128%0.284CS..  trans-79.3143.317200000111.6K548 K710 H711 L712K548-G708 CarbonylContact O-C 3.31Å; G708-K710 VanDerWaalsContact C-N 3.28Å; G708-K710 PolarHBondContact O-N 3.02Å; G708-H711 WeakPolarHBondContact O-CA 3.31Å; G708-H711 WeakPolarHBondContact O-CB 3.28Å; G708-H711 PolarHBondContact O-N 3.13Å; G708-L712 PolarHBondContact O-N 3.38Å
709I90.7Very high86.8Confident19 Ų1946 Ų4610%0.09725%0.252CS..Hα-helixtrans-54.2-40.3-176.7-171.558.7000113.3M508 K548 A549 L672 A681 H711 L712 L713M508-I709 HydrophobicContact SD-CD1 4.35Å; K548-I709 PolarHBondContact O-N 2.94Å; A549-I709 WeakPolarHBondContact O-CG2 3.33Å; L672-I709 HydrophobicContact CD1-CB 3.97Å; L672-I709 HydrophobicContact CD1-CD1 4.22Å; A681-I709 HydrophobicContact CB-CD1 3.99Å; I709-H711 VanDerWaalsContact C-N 3.26Å; I709-H711 PolarHBondContact O-N 3.27Å; I709-L712 HydrophobicContact CD1-CD2 4.13Å; I709-L712 WeakPolarHBondContact O-CB 3.15Å; I709-L712 PolarHBondContact O-N 3.02Å; I709-L713 WeakPolarHBondContact O-CG 3.46Å; I709-L713 PolarHBondContact O-N 3.4Å
710K90.2Very high86.6Confident127 Ų12745.2 Ų45.255%0.55225%0.247SC*.Hα-helixtrans-64-37.4178.4-179.8174.6-177.7173.40111.2K548 G708 L713 D714K548-K710 HydrophobicContact CB-CB 4.09Å; K548-K710 WeakPolarHBondContact O-CB 2.97Å; K548-K710 PolarHBondContact O-N 3.22Å; G708-K710 VanDerWaalsContact C-N 3.28Å; G708-K710 PolarHBondContact O-N 3.02Å; K710-L713 PolarHBondContact O-N 3.18Å; K710-D714 VanDerWaalsContact O-CG 3.22Å; K710-D714 PolarHBondContact O-N 3.45Å
711H89.7Confident86.6Confident36 Ų3653.5 Ų53.517%0.16728%0.283CS..Hα-helixtrans-73.4-36178.3-159.954.5000112.4K548 I707 G708 I709 L713 D714 L715 V738K548-H711 HydrophobicContact CB-CB 4.42Å; K548-H711 HydrophobicContact CD-CB 3.81Å; K548-H711 PolarHBondContact NZ-ND1 3.48Å; K548-H711 VanDerWaalsContact NZ-ND1 3.19Å; I707-H711 HydrophobicContact CG1-CB 4.24Å; G708-H711 WeakPolarHBondContact O-CA 3.31Å; G708-H711 WeakPolarHBondContact O-CB 3.28Å; G708-H711 PolarHBondContact O-N 3.13Å; I709-H711 VanDerWaalsContact C-N 3.26Å; I709-H711 PolarHBondContact O-N 3.27Å; H711-L713 VanDerWaalsContact C-N 3.31Å; H711-L713 PolarHBondContact O-N 3.04Å; H711-D714 IonicContact ND1-OD2 3.94Å; H711-D714 WeakPolarHBondContact O-CB 3.17Å; H711-D714 PolarHBondContact O-N 2.91Å; H711-L715 WeakPolarHBondContact O-CG 3.41Å; H711-L715 PolarHBondContact O-N 2.65Å; H711-V738 WeakPolarHBondContact CD2-CG1 3.47Å; H711-V738 WeakPolarHBondContact NE2-CG1 3.36Å
712L90.2Very high86.8Confident0 Ų052.5 Ų52.50%027%0.271CS..Hα-helixtrans-57.3-44.9170.2176.462.9000111.1L672 L678 A681 I707 G708 I709 D714 L715 I716 F731L672-L712 HydrophobicContact CD2-CD2 3.82Å; L678-L712 HydrophobicContact CD1-CD1 4.25Å; L678-L712 HydrophobicContact CG-CD1 4.46Å; A681-L712 HydrophobicContact CB-CD2 3.77Å; I707-L712 HydrophobicContact CD1-CB 4.12Å; I707-L712 HydrophobicContact CD1-CD1 4.48Å; I707-L712 HydrophobicContact CG1-CB 4.38Å; G708-L712 PolarHBondContact O-N 3.38Å; I709-L712 HydrophobicContact CD1-CD2 4.13Å; I709-L712 WeakPolarHBondContact O-CB 3.15Å; I709-L712 PolarHBondContact O-N 3.02Å; L712-D714 PolarHBondContact O-N 2.87Å; L712-L715 WeakPolarHBondContact O-CB 3.33Å; L712-L715 PolarHBondContact O-N 2.79Å; L712-I716 HydrophobicContact CD1-CD1 4.22Å; L712-I716 HydrophobicContact CD1-CG1 4.4Å; L712-I716 HydrophobicContact CG-CD1 3.92Å; L712-I716 VanDerWaalsContact O-CG1 3.27Å; L712-I716 WeakPolarHBondContact O-CG1 3.5Å; L712-I716 PolarHBondContact O-N 3.41Å; L712-F731 HydrophobicContact CD1-CE2 3.98Å; L712-F731 HydrophobicContact CD1-CZ 3.7Å
713L90.3Very high87Confident29 Ų2954.5 Ų54.515%0.15227%0.265CS..Hα-helixtrans-63.7-40.4176.6-64.4171.7000112.5M508 I709 K710 H711 L715 I716 D717M508-L713 HydrophobicContact CE-CD2 3.78Å; M508-L713 HydrophobicContact SD-CD2 3.93Å; I709-L713 WeakPolarHBondContact O-CG 3.46Å; I709-L713 PolarHBondContact O-N 3.4Å; K710-L713 PolarHBondContact O-N 3.18Å; H711-L713 VanDerWaalsContact C-N 3.31Å; H711-L713 PolarHBondContact O-N 3.04Å; L713-L715 VanDerWaalsContact C-N 3.28Å; L713-L715 PolarHBondContact O-N 3.07Å; L713-I716 HydrophobicContact CD2-CD1 4.3Å; L713-I716 PolarHBondContact O-N 2.83Å; L713-D717 WeakPolarHBondContact O-CB 3.45Å; L713-D717 PolarHBondContact O-N 3.21Å
714D88.4Confident87Confident70 Ų7054.1 Ų54.137%0.37427%0.274SS..Hα-helixtrans-58.5-41.5173.5-62.1-30000110.9K710 H711 L712 D717 L718K710-D714 VanDerWaalsContact O-CG 3.22Å; K710-D714 PolarHBondContact O-N 3.45Å; H711-D714 IonicContact ND1-OD2 3.94Å; H711-D714 WeakPolarHBondContact O-CB 3.17Å; H711-D714 PolarHBondContact O-N 2.91Å; L712-D714 PolarHBondContact O-N 2.87Å; D714-D717 PolarHBondContact O-N 2.96Å; D714-L718 WeakPolarHBondContact O-CB 3.28Å; D714-L718 PolarHBondContact O-N 3.42Å
715L89.1Confident86.9Confident9 Ų954 Ų545%0.04729%0.285CS..Hα-helixtrans-66.6-42.9176.6-68.5-178.3000112.1I707 H711 L712 L713 D717 L718 V719 F731 K734 L735I707-L715 HydrophobicContact CD1-CD1 3.57Å; H711-L715 WeakPolarHBondContact O-CG 3.41Å; H711-L715 PolarHBondContact O-N 2.65Å; L712-L715 WeakPolarHBondContact O-CB 3.33Å; L712-L715 PolarHBondContact O-N 2.79Å; L713-L715 VanDerWaalsContact C-N 3.28Å; L713-L715 PolarHBondContact O-N 3.07Å; L715-D717 VanDerWaalsContact C-N 3.34Å; L715-L718 PolarHBondContact O-N 3.38Å; L715-V719 WeakPolarHBondContact O-CB 3.42Å; L715-V719 VanDerWaalsContact O-CG2 3.28Å; L715-V719 WeakPolarHBondContact O-CG2 3.32Å; L715-V719 PolarHBondContact O-N 3.18Å; L715-F731 HydrophobicContact CB-CE2 4.43Å; L715-K734 HydrophobicContact CD2-CB 4.01Å; L715-L735 HydrophobicContact CD1-CD1 4.41Å
716I88.7Confident86.9Confident1 Ų159.6 Ų59.61%0.00531%0.31CS..Hα-helixtrans-61.7-44176-66.2163.7000110.3L682 D685 R687 F688 L712 L713 L718 V719 S720 F731L682-I716 HydrophobicContact CD2-CD1 3.53Å; L682-I716 HydrophobicContact CD2-CG1 3.9Å; D685-I716 WeakPolarHBondContact OD2-CG2 3.33Å; R687-I716 HydrophobicContact CB-CG2 4.48Å; F688-I716 HydrophobicContact CE2-CG1 4.19Å; F688-I716 HydrophobicContact CE2-CG2 4.2Å; L712-I716 HydrophobicContact CD1-CD1 4.22Å; L712-I716 HydrophobicContact CD1-CG1 4.4Å; L712-I716 HydrophobicContact CG-CD1 3.92Å; L712-I716 VanDerWaalsContact O-CG1 3.27Å; L712-I716 WeakPolarHBondContact O-CG1 3.5Å; L712-I716 PolarHBondContact O-N 3.41Å; L713-I716 HydrophobicContact CD2-CD1 4.3Å; L713-I716 PolarHBondContact O-N 2.83Å; I716-L718 PolarHBondContact O-N 3.15Å; I716-V719 PolarHBondContact O-N 2.93Å; I716-S720 WeakPolarHBondContact O-CB 3.48Å; I716-S720 PolarHBondContact O-N 3.15Å; I716-S720 PolarHBondContact O-OG 3.1Å; I716-S720 VanDerWaalsContact O-OG 3.13Å; I716-F731 HydrophobicContact CG1-CE2 4.05Å
717D88.3Confident87Confident54 Ų5458.7 Ų58.729%0.28930%0.298SS..Hα-helixtrans-62.2-41.6177.2-76.8-18.1000112.1R505 R687 L713 D714 L715 S720R505-D717 IonicContact CZ-OD1 3.52Å; R505-D717 IonicContact CZ-OD2 2.69Å; R505-D717 IonicContact NH1-OD1 2.7Å; R505-D717 IonicContact NH2-OD1 2.8Å; R505-D717 PolarHBondContact NH2-OD1 3.27Å; R505-D717 IonicContact NH2-OD2 2.65Å; R505-D717 PolarHBondContact NH2-OD2 3.16Å; R687-D717 IonicContact CZ-OD1 3.75Å; R687-D717 IonicContact NH1-OD1 3.79Å; R687-D717 PolarHBondContact NH1-OD1 3.44Å; R687-D717 IonicContact NH2-OD1 3.6Å; R687-D717 PolarHBondContact NH2-OD1 3.35Å; L713-D717 WeakPolarHBondContact O-CB 3.45Å; L713-D717 PolarHBondContact O-N 3.21Å; D714-D717 PolarHBondContact O-N 2.96Å; L715-D717 VanDerWaalsContact C-N 3.34Å; D717-S720 PolarHBondContact O-OG 2.93Å
718L87.6Confident86.9Confident93 Ų9359.5 Ų59.549%0.48730%0.303SS..Hα-helixtrans-63.3-48.6176.5-177.766.3000111.8D714 L715 I716D714-L718 WeakPolarHBondContact O-CB 3.28Å; D714-L718 PolarHBondContact O-N 3.42Å; L715-L718 PolarHBondContact O-N 3.38Å; I716-L718 PolarHBondContact O-N 3.15Å
719V88Confident86.7Confident2 Ų262.4 Ų62.41%0.01233%0.326CS..Hα-helixtrans-80-25.9-171.41750000112.3F688 L715 I716 K721 N722 R727 A730 F731F688-V719 HydrophobicContact CZ-CG1 4.46Å; L715-V719 WeakPolarHBondContact O-CB 3.42Å; L715-V719 VanDerWaalsContact O-CG2 3.28Å; L715-V719 WeakPolarHBondContact O-CG2 3.32Å; L715-V719 PolarHBondContact O-N 3.18Å; I716-V719 PolarHBondContact O-N 2.93Å; V719-K721 PolarHBondContact O-N 2.74Å; V719-N722 WeakPolarHBondContact O-CB 3.32Å; V719-N722 PolarHBondContact O-N 2.97Å; V719-R727 HydrophobicContact CG1-CB 4.4Å; V719-R727 HydrophobicContact CG1-CG 3.58Å; V719-R727 WeakPolarHBondContact CG1-O 3.4Å; V719-A730 HydrophobicContact CG1-CB 4.19Å; V719-A730 HydrophobicContact CG2-CB 4.47Å; V719-F731 HydrophobicContact CG1-CB 3.95Å; V719-F731 HydrophobicContact CG2-CB 4.38Å
720S82.1Confident86.6Confident37 Ų3762.6 Ų62.626%0.25933%0.331SS..THydrogen-bonded Turntrans-59.8-17.3175.663.90000114R687 I716 D717R687-S720 PolarHBondContact NH1-OG 3.38Å; I716-S720 WeakPolarHBondContact O-CB 3.48Å; I716-S720 PolarHBondContact O-N 3.15Å; I716-S720 PolarHBondContact O-OG 3.1Å; I716-S720 VanDerWaalsContact O-OG 3.13Å; D717-S720 PolarHBondContact O-OG 2.93Å
721K82.8Confident86.6Confident176 Ų17656.6 Ų56.677%0.76531%0.305SS*.THydrogen-bonded Turntrans-83.3-12.3175.3-61.8-179.9-177.6177.40114.4V719V719-K721 PolarHBondContact O-N 2.74Å
722N83.4Confident86.5Confident67 Ų6756.2 Ų56.236%0.35830%0.304SS..SBendtrans-81.1157.6179.2-67.3-15.5000111.2V719 A730V719-N722 WeakPolarHBondContact O-CB 3.32Å; V719-N722 PolarHBondContact O-N 2.97Å; N722-A730 WeakPolarHBondContact ND2-CB 3.35Å
723D84.1Confident86.4Confident112 Ų11258.5 Ų58.560%0.59932%0.323SS*.  trans-53.6140173-67.5-38.8000110.6D725 H726 R727D723-D725 PolarHBondContact O-N 2.69Å; D723-D725 VanDerWaalsContact O-N 3.08Å; D723-H726 PolarHBondContact O-N 3.43Å; D723-R727 PolarHBondContact O-N 2.94Å; D723-R727 VanDerWaalsContact O-N 3.09Å
724P80.2Confident86.2Confident81 Ų8160.4 Ų60.453%0.52633%0.33SS..Hα-helixtrans-49.9-38.9-177.8-2834.5000113.5H726 R727P724-H726 VanDerWaalsContact C-N 3.31Å; P724-H726 PolarHBondContact O-N 3.31Å; P724-R727 WeakPolarHBondContact O-CB 3.21Å; P724-R727 PolarHBondContact O-N 3.2Å
725D80.9Confident86.1Confident150 Ų15057.1 Ų57.180%0.80231%0.312SS*.Hα-helixtrans-66.8-29.2-178.5-61.3-29.2000113.4D723D723-D725 PolarHBondContact O-N 2.69Å; D723-D725 VanDerWaalsContact O-N 3.08Å
726H85.5Confident85.9Confident118 Ų11861.7 Ų61.755%0.54633%0.334SS..Hα-helixtrans-101.2-5.9-178.1-6396.7000113.1D723 P724 V728 A729 A730D723-H726 PolarHBondContact O-N 3.43Å; P724-H726 VanDerWaalsContact C-N 3.31Å; P724-H726 PolarHBondContact O-N 3.31Å; H726-V728 PolarHBondContact O-N 2.77Å; H726-A729 PolarHBondContact O-N 2.85Å; H726-A730 VanDerWaalsContact O-CB 3.28Å; H726-A730 WeakPolarHBondContact O-CB 3.4Å; H726-A730 PolarHBondContact O-N 3.32Å
727R87.3Confident85.6Confident46 Ų4667.9 Ų67.917%0.17436%0.363CS..Hα-helixtrans-59.8-50.4-173.4-171-174.7-68.5175.3-1112.2R687 F688 V719 D723 P724 A730 F731R687-R727 PolarHBondContact O-NH1 2.92Å; R687-R727 VanDerWaalsContact O-NH1 3.16Å; F688-R727 HydrophobicContact CE1-CG 3.76Å; F688-R727 HydrophobicContact CZ-CG 4.18Å; V719-R727 HydrophobicContact CG1-CB 4.4Å; V719-R727 HydrophobicContact CG1-CG 3.58Å; V719-R727 WeakPolarHBondContact CG1-O 3.4Å; D723-R727 PolarHBondContact O-N 2.94Å; D723-R727 VanDerWaalsContact O-N 3.09Å; P724-R727 WeakPolarHBondContact O-CB 3.21Å; P724-R727 PolarHBondContact O-N 3.2Å; R727-A730 PolarHBondContact O-N 3.4Å; R727-F731 WeakPolarHBondContact O-CB 3.38Å; R727-F731 PolarHBondContact O-N 3.07Å
728V87.1Confident85Confident19 Ų1968.4 Ų68.412%0.11537%0.368CS..Hα-helixtrans-65.1-44.3-178.2177.90000111.6E692 I695 I696 H726 F731 L732E692-V728 HydrophobicContact CB-CG2 3.6Å; E692-V728 HydrophobicContact CG-CG2 3.54Å; I695-V728 HydrophobicContact CB-CG1 4.33Å; I695-V728 HydrophobicContact CG2-CG1 3.77Å; I696-V728 HydrophobicContact CG1-CG1 3.87Å; H726-V728 PolarHBondContact O-N 2.77Å; V728-F731 PolarHBondContact O-N 3Å; V728-L732 HydrophobicContact CG1-CD1 4.02Å; V728-L732 HydrophobicContact CG1-CG 4.48Å; V728-L732 WeakPolarHBondContact O-CG 3.08Å; V728-L732 PolarHBondContact O-N 2.73Å
729A86.9Confident84Confident64 Ų6464.3 Ų64.353%0.52935%0.347SS..Hα-helixtrans-63.2-43.9178.700000111.7H726 F731 L732 A733H726-A729 PolarHBondContact O-N 2.85Å; A729-F731 VanDerWaalsContact C-N 3.34Å; A729-F731 PolarHBondContact O-N 3.4Å; A729-L732 PolarHBondContact O-N 2.97Å; A729-A733 WeakPolarHBondContact O-CB 3.41Å; A729-A733 PolarHBondContact O-N 3.49Å
730A88.4Confident82.9Confident24 Ų2465.6 Ų65.620%0.19835%0.354CS..Hα-helixtrans-64.6-3817600000112.4V719 N722 H726 R727 K734V719-A730 HydrophobicContact CG1-CB 4.19Å; V719-A730 HydrophobicContact CG2-CB 4.47Å; N722-A730 WeakPolarHBondContact ND2-CB 3.35Å; H726-A730 VanDerWaalsContact O-CB 3.28Å; H726-A730 WeakPolarHBondContact O-CB 3.4Å; H726-A730 PolarHBondContact O-N 3.32Å; R727-A730 PolarHBondContact O-N 3.4Å; A730-K734 WeakPolarHBondContact O-CB 3.46Å; A730-K734 WeakPolarHBondContact O-CG 3.44Å; A730-K734 PolarHBondContact O-N 2.92Å
731F89.9Confident82Confident0 Ų067.3 Ų67.30%036%0.363CS..Hα-helixtrans-63.3-49.7175.9-177.3-102.9000111.7L678 L682 F688 I696 L712 L715 I716 V719 R727 V728 A729 K734 L735L678-F731 HydrophobicContact CD1-CZ 4.45Å; L678-F731 HydrophobicContact CD2-CE1 4.34Å; L682-F731 HydrophobicContact CD1-CE1 4.43Å; L682-F731 HydrophobicContact CD1-CZ 4.48Å; L682-F731 HydrophobicContact CD2-CZ 4.36Å; F688-F731 HydrophobicContact CE1-CB 4.36Å; F688-F731 HydrophobicContact CE1-CG 4.44Å; F688-F731 HydrophobicContact CE2-CD2 4.41Å; F688-F731 HydrophobicContact CZ-CB 4.13Å; F688-F731 AromaticContact CZ-CD2 3.86Å; F688-F731 HydrophobicContact CZ-CD2 3.86Å; F688-F731 HydrophobicContact CZ-CE2 4.45Å; F688-F731 AromaticContact CZ-CG 3.94Å; F688-F731 HydrophobicContact CZ-CG 3.94Å; I696-F731 HydrophobicContact CD1-CD1 3.84Å; I696-F731 HydrophobicContact CD1-CE1 4.12Å; I696-F731 HydrophobicContact CG1-CD1 4.24Å; I696-F731 HydrophobicContact CG2-CD1 4.43Å; I696-F731 HydrophobicContact CG2-CE1 4.09Å; L712-F731 HydrophobicContact CD1-CE2 3.98Å; L712-F731 HydrophobicContact CD1-CZ 3.7Å; L715-F731 HydrophobicContact CB-CE2 4.43Å; I716-F731 HydrophobicContact CG1-CE2 4.05Å; V719-F731 HydrophobicContact CG1-CB 3.95Å; V719-F731 HydrophobicContact CG2-CB 4.38Å; R727-F731 WeakPolarHBondContact O-CB 3.38Å; R727-F731 PolarHBondContact O-N 3.07Å; V728-F731 PolarHBondContact O-N 3Å; A729-F731 VanDerWaalsContact C-N 3.34Å; A729-F731 PolarHBondContact O-N 3.4Å; F731-K734 PolarHBondContact O-N 3.44Å; F731-L735 HydrophobicContact CE1-CD2 4.15Å; F731-L735 VanDerWaalsContact O-CB 3.31Å; F731-L735 WeakPolarHBondContact O-CB 3.45Å; F731-L735 PolarHBondContact O-N 3.04Å
732L87.5Confident80.6Confident29 Ų2965 Ų6515%0.15236%0.359CS..Hα-helixtrans-63.8-43.7179.8-70.5172.2000112I696 L700 V728 A729 K734 L735 E736I696-L732 HydrophobicContact CG2-CD2 4.31Å; L700-L732 HydrophobicContact CD2-CD2 4.38Å; L700-L732 HydrophobicContact CG-CD2 4.33Å; V728-L732 HydrophobicContact CG1-CD1 4.02Å; V728-L732 HydrophobicContact CG1-CG 4.48Å; V728-L732 WeakPolarHBondContact O-CG 3.08Å; V728-L732 PolarHBondContact O-N 2.73Å; A729-L732 PolarHBondContact O-N 2.97Å; L732-K734 VanDerWaalsContact C-N 3.32Å; L732-K734 PolarHBondContact O-N 3.46Å; L732-L735 PolarHBondContact O-N 3.28Å; L732-E736 PolarHBondContact O-N 2.93Å
733A87.2Confident79.1Confident48 Ų4871.1 Ų71.140%0.39739%0.385SS..Hα-helixtrans-60.7-41.2176.700000112A729 E737A729-A733 WeakPolarHBondContact O-CB 3.41Å; A729-A733 PolarHBondContact O-N 3.49Å; A733-E737 PolarHBondContact O-N 3.45Å
734K86.9Confident78.8Confident69 Ų6969.1 Ų69.130%0.338%0.375SS..Hα-helixtrans-73.2-31.6176.5-73.2-72166.2-142.70113.2L715 A730 F731 L732 E737 V738L715-K734 HydrophobicContact CD2-CB 4.01Å; A730-K734 WeakPolarHBondContact O-CB 3.46Å; A730-K734 WeakPolarHBondContact O-CG 3.44Å; A730-K734 PolarHBondContact O-N 2.92Å; F731-K734 PolarHBondContact O-N 3.44Å; L732-K734 VanDerWaalsContact C-N 3.32Å; L732-K734 PolarHBondContact O-N 3.46Å; K734-E737 IonicContact NZ-OE1 2.77Å; K734-E737 PolarHBondContact NZ-OE1 3.39Å; K734-E737 IonicContact NZ-OE2 2.77Å; K734-E737 PolarHBondContact NZ-OE2 3.09Å; K734-E737 PolarHBondContact O-N 3.49Å; K734-V738 WeakPolarHBondContact O-CG2 3.28Å
735L86.7Confident78.7Confident0 Ų068.5 Ų68.50%037%0.367CS..Hα-helixtrans-66.7-39.7174.7-172.463.9000111.1L678 L700 L705 I707 L715 F731 L732 E737 V738 G739 I740L678-L735 HydrophobicContact CD1-CD1 4.2Å; L678-L735 HydrophobicContact CD1-CD2 3.76Å; L700-L735 HydrophobicContact CD1-CD2 3.81Å; L700-L735 HydrophobicContact CD2-CD2 3.91Å; L700-L735 HydrophobicContact CG-CD2 4.46Å; L705-L735 HydrophobicContact CD2-CD2 4.1Å; L705-L735 HydrophobicContact CD2-CG 4.35Å; I707-L735 HydrophobicContact CD1-CD1 3.75Å; L715-L735 HydrophobicContact CD1-CD1 4.41Å; F731-L735 HydrophobicContact CE1-CD2 4.15Å; F731-L735 VanDerWaalsContact O-CB 3.31Å; F731-L735 WeakPolarHBondContact O-CB 3.45Å; F731-L735 PolarHBondContact O-N 3.04Å; L732-L735 PolarHBondContact O-N 3.28Å; L735-E737 VanDerWaalsContact C-N 3.34Å; L735-E737 PolarHBondContact O-N 2.97Å; L735-V738 PolarHBondContact O-N 2.77Å; L735-G739 PolarHBondContact O-N 2.95Å; L735-I740 HydrophobicContact CG-CD1 4.34Å; L735-I740 HydrophobicContact CG-CG1 4.23Å
736E84.4Confident78.6Confident105 Ų10563.9 Ų63.949%0.49134%0.343SS..Hα-helixtrans-58.8-40.7173.4-81.9178.1172.500112.7R703 L732 V738 I740R703-E736 IonicContact CZ-OE1 3.5Å; R703-E736 IonicContact NH1-OE1 3.74Å; R703-E736 PolarHBondContact NH1-OE1 2.96Å; R703-E736 IonicContact NH2-OE1 3.48Å; L732-E736 PolarHBondContact O-N 2.93Å; E736-V738 PolarHBondContact O-N 3.35Å; E736-I740 HydrophobicContact CB-CD1 4.42Å; E736-I740 HydrophobicContact CG-CD1 3.56Å; E736-I740 HydrophobicContact CG-CG1 4.31Å
737E82.1Confident78.2Confident132 Ų13260.8 Ų60.862%0.61733%0.331SS*.Hα-helixtrans-64.5-26.9178.5-74175.6-162.700113.8A733 K734 L735A733-E737 PolarHBondContact O-N 3.45Å; K734-E737 IonicContact NZ-OE1 2.77Å; K734-E737 PolarHBondContact NZ-OE1 3.39Å; K734-E737 IonicContact NZ-OE2 2.77Å; K734-E737 PolarHBondContact NZ-OE2 3.09Å; K734-E737 PolarHBondContact O-N 3.49Å; L735-E737 VanDerWaalsContact C-N 3.34Å; L735-E737 PolarHBondContact O-N 2.97Å
738V75.2Confident77.6Confident65 Ų6561.7 Ų61.739%0.39434%0.34SS..Hα-helixtrans-108.9-40.5-165.8-179.20000112.9H711 K734 L735 E736H711-V738 WeakPolarHBondContact CD2-CG1 3.47Å; H711-V738 WeakPolarHBondContact NE2-CG1 3.36Å; K734-V738 WeakPolarHBondContact O-CG2 3.28Å; L735-V738 PolarHBondContact O-N 2.77Å; E736-V738 PolarHBondContact O-N 3.35Å
739G67Low77Confident6 Ų664.5 Ų64.56%0.06236%0.355CS..Hα-helixtrans-153.511.6-158.200000116.6L705 C706 L735L705-G739 CarbonylContact C-O 3.58Å; L705-G739 WeakPolarHBondContact CA-O 3.24Å; C706-G739 PolarHBondContact N-O 3.08Å; L735-G739 PolarHBondContact O-N 2.95Å
740I66.1Low76.3Confident30 Ų3064.6 Ų64.615%0.15434%0.343CS..EExtended strand (participates in β ladder)trans-87.2121.6169.9-59.1-163.8000108.2L700 R703 L705 L735 E736L700-I740 HydrophobicContact CD2-CD1 3.79Å; R703-I740 HydrophobicContact CB-CG2 4.39Å; L705-I740 HydrophobicContact CD2-CG1 4.09Å; L735-I740 HydrophobicContact CG-CD1 4.34Å; L735-I740 HydrophobicContact CG-CG1 4.23Å; E736-I740 HydrophobicContact CB-CD1 4.42Å; E736-I740 HydrophobicContact CG-CD1 3.56Å; E736-I740 HydrophobicContact CG-CG1 4.31Å
741V61.7Low75.4Confident73 Ų7367.7 Ų67.744%0.44235%0.354SS..EExtended strand (participates in β ladder)trans-104.9111.9170.2-171.40000105.8R704 C706R704-V741 PolarHBondContact O-N 3.33Å; R704-V741 VanDerWaalsContact O-N 3.11Å; C706-V741 HydrophobicContact CB-CG2 4.02Å
742D55Low74.2Confident127 Ų12773.3 Ų73.368%0.67938%0.384SS*.  trans-64133.3167-68.4-33.9000107.8
743E50.2Low72.9Confident196 Ų19677.4 Ų77.492%0.91641%0.405SS*.  trans-55.70-174.1-79.2-158137.500114.9R704R704-E743 HydrophobicContact CG-CG 4.24Å; R704-E743 IonicContact CZ-OE1 3.63Å; R704-E743 VanDerWaalsContact CZ-OE1 3.31Å; R704-E743 IonicContact NE-OE1 3.75Å; R704-E743 PolarHBondContact NE-OE1 3.02Å; R704-E743 IonicContact NH2-OE1 2.8Å; R704-E743 PolarHBondContact NH2-OE1 3.47Å

Retrieved 743 of 743 residues in 157.9 ms (Link to these results)

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