A0A093HMM2_STRCA Loading...

Cytoplasmic protein

AlphaFold DB , UniProt , Accession A0A093HMM2, Species STRCA (Struthio camelus australis), Gene n/a, Length 380 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
1M35.8Very low68.8Low244 Ų24491.5 Ų91.5100%1.20245%0.454SS*.  0109.90-78.8171.4-167.700106.3E3M1-E3 PolarHBondContact O-N 2.8Å
2T42.9Very low69.8Low128 Ų12893.1 Ų93.179%0.78547%0.466SS*.  trans-72118.4177.444.70000108.3E4T2-E4 PolarHBondContact O-N 3.01Å
3E53.7Low70.4Confident186 Ų18687.7 Ų87.787%0.86944%0.437SS*.  trans-64107.6171.8-74.2-175.7101.600108.4M1 V5M1-E3 PolarHBondContact O-N 2.8Å; E3-V5 PolarHBondContact O-N 3.2Å; E3-V5 VanDerWaalsContact O-N 3.12Å
4E66.6Low71.3Confident111 Ų11189.4 Ų89.452%0.51945%0.454SS..  trans-75.6102.6178-56.2-172.6119.400108.4T2 I6 R42T2-E4 PolarHBondContact O-N 3.01Å; E4-I6 PolarHBondContact O-N 2.98Å; E4-R42 IonicContact OE1-CZ 3.02Å; E4-R42 VanDerWaalsContact OE1-CZ 3.22Å; E4-R42 IonicContact OE1-NH1 2.88Å; E4-R42 PolarHBondContact OE1-NH1 3.44Å; E4-R42 IonicContact OE1-NH2 3.3Å; E4-R42 PolarHBondContact OE1-NH2 3.12Å; E4-R42 IonicContact OE2-NH2 2.69Å; E4-R42 PolarHBondContact OE2-NH2 3.21Å
5V78.3Confident72Confident66 Ų6685.7 Ų85.740%0.444%0.443SS..  trans-71.5124.5179.3179.80000109E3 L31 R58E3-V5 PolarHBondContact O-N 3.2Å; E3-V5 VanDerWaalsContact O-N 3.12Å; V5-L31 HydrophobicContact CB-CB 4.17Å; V5-L31 HydrophobicContact CB-CD2 4.35Å; V5-L31 HydrophobicContact CG1-CB 4.21Å; V5-L31 HydrophobicContact CG1-CD2 3.9Å; V5-L31 WeakPolarHBondContact O-CB 3.43Å; V5-L31 PolarHBondContact O-N 3.37Å; V5-R58 HydrophobicContact CG1-CG 4.18Å
6I84.5Confident71.8Confident73 Ų7390.9 Ų90.937%0.37447%0.465SS..EExtended strand (participates in β ladder)trans-99.9129.5178.2-58.9172.7000109.3E4 R28 L29 K59E4-I6 PolarHBondContact O-N 2.98Å; I6-R28 HydrophobicContact CG2-CB 4.35Å; I6-L29 CarbonylContact C-O 3.58Å; I6-L29 WeakPolarHBondContact CA-O 3.48Å; I6-K59 PolarHBondContact O-N 2.91Å; I6-K59 VanDerWaalsContact O-N 3.14Å
7V86Confident71.5Confident0 Ų092.8 Ų92.80%047%0.471CS..EExtended strand (participates in β ladder)trans-109.4151.9169.8-62.90000110.6L29 L31 W39 V41 V56 E57 R58V7-L29 HydrophobicContact CG2-CB 3.86Å; V7-L29 PolarHBondContact N-O 3.36Å; V7-L29 PolarHBondContact O-N 3.17Å; V7-L29 VanDerWaalsContact O-O 3.06Å; V7-L31 HydrophobicContact CG1-CB 3.92Å; V7-L31 HydrophobicContact CG1-CD1 4.34Å; V7-L31 HydrophobicContact CG1-CD2 4.13Å; V7-L31 HydrophobicContact CG1-CG 4.38Å; V7-W39 HydrophobicContact CG1-CE3 4.21Å; V7-W39 HydrophobicContact CG1-CZ3 3.94Å; V7-V41 HydrophobicContact CG2-CG1 3.92Å; V7-V56 HydrophobicContact CB-CB 4.22Å; V7-V56 HydrophobicContact CG2-CB 4.15Å; V7-V56 HydrophobicContact CG2-CG1 4.39Å; V7-E57 CarbonylContact C-O 3.48Å; V7-E57 WeakPolarHBondContact CA-O 3.38Å; V7-E57 WeakPolarHBondContact CB-O 3.47Å; V7-R58 HydrophobicContact CG1-CB 4.39Å; V7-R58 HydrophobicContact CG1-CG 3.61Å
8I83Confident71.6Confident36 Ų3697.4 Ų97.419%0.18550%0.498CS..EExtended strand (participates in β ladder)trans-115.6124.8177.6-60.6179.5000108K10 E27 V56 E57 K59I8-K10 PolarHBondContact O-N 3.47Å; I8-E27 CarbonylContact C-O 3.58Å; I8-E27 VanDerWaalsContact CA-O 3.32Å; I8-E27 WeakPolarHBondContact CA-O 3.28Å; I8-V56 CarbonylContact O-C 3.44Å; I8-V56 WeakPolarHBondContact O-CA 3.5Å; I8-E57 PolarHBondContact N-O 2.87Å; I8-E57 PolarHBondContact O-N 3.41Å; I8-K59 HydrophobicContact CD1-CB 4.07Å; I8-K59 HydrophobicContact CD1-CD 3.58Å; I8-K59 HydrophobicContact CD1-CG 4.38Å; I8-K59 HydrophobicContact CG1-CB 4.37Å
9A85.4Confident71.7Confident1 Ų199.5 Ų99.51%0.00851%0.505CS..EExtended strand (participates in β ladder)trans-61.8123.4171.700000109.7I23 K24 N26 E27 L29 Y55 V56A9-I23 HydrophobicContact CB-CB 4.17Å; A9-I23 HydrophobicContact CB-CD1 3.93Å; A9-I23 HydrophobicContact CB-CG1 4.34Å; A9-K24 WeakPolarHBondContact CB-O 3.39Å; A9-N26 VanDerWaalsContact O-CA 3.29Å; A9-N26 WeakPolarHBondContact O-CA 3.16Å; A9-N26 PolarHBondContact O-N 3.49Å; A9-E27 HydrophobicContact CB-CB 4.24Å; A9-E27 PolarHBondContact N-O 2.81Å; A9-L29 HydrophobicContact CB-CD1 4.31Å; A9-Y55 CarbonylContact C-O 3.36Å; A9-Y55 WeakPolarHBondContact CA-O 3.3Å; A9-V56 HydrophobicContact CB-CG1 4.43Å
10K73.4Confident72.4Confident79 Ų7995.6 Ų95.634%0.34348%0.484SS..SBendtrans-83.4-24.3178.3-73.4-174.8179.8-164.50111.9I8 K25 Y55 E57I8-K10 PolarHBondContact O-N 3.47Å; K10-K25 WeakPolarHBondContact O-CD 3.19Å; K10-K25 WeakPolarHBondContact O-CE 3.46Å; K10-K25 VanDerWaalsContact O-CG 3.29Å; K10-K25 WeakPolarHBondContact O-CG 3.42Å; K10-Y55 PolarHBondContact N-O 2.89Å; K10-E57 HydrophobicContact CD-CB 4.3Å; K10-E57 WeakPolarHBondContact CE-OE2 3.44Å; K10-E57 HydrophobicContact CG-CB 4.1Å; K10-E57 IonicContact NZ-OE2 3.42Å; K10-E57 PolarHBondContact NZ-OE2 2.82Å
11W67.6Low73Confident82 Ų8291.3 Ų91.331%0.31146%0.463SS..SBendtrans-140.3162.5178.6-59.2-90.2000110.8K25 N54 Y55 R126W11-K25 PolarHBondContact O-N 3.07Å; W11-N54 WeakPolarHBondContact CZ3-O 3.3Å; W11-Y55 HydrophobicContact CB-CD1 3.83Å; W11-Y55 HydrophobicContact CB-CE1 3.97Å; W11-Y55 HydrophobicContact CE3-CD1 4.48Å; W11-Y55 HydrophobicContact CE3-CG 4.39Å; W11-R126 VanDerWaalsContact CZ2-NH2 3.32Å
12D79.8Confident75.4Confident111 Ų11183.5 Ų83.559%0.59443%0.426SS*.  trans-71.2143.9164.854.5-77.6000110.5I23D12-I23 CarbonylContact C-O 3.54Å; D12-I23 VanDerWaalsContact CA-O 3.29Å; D12-I23 WeakPolarHBondContact CA-O 3.45Å
13Y78.2Confident77.5Confident23 Ų2377.5 Ų77.59%0.0939%0.389CS..BIsolated β-bridgetrans-148.4130.4177.6169.4-95.1000108.7E20 L21 D22 I23 W38 P52 Y55Y13-E20 HydrophobicContact CE1-CB 4.44Å; Y13-E20 PolarHBondContact OH-OE2 2.82Å; Y13-L21 WeakPolarHBondContact CD1-O 3.38Å; Y13-D22 WeakPolarHBondContact O-CA 3.41Å; Y13-I23 HydrophobicContact CD1-CG1 4.23Å; Y13-I23 HydrophobicContact CG-CG1 4.39Å; Y13-I23 PolarHBondContact N-O 3.37Å; Y13-I23 PolarHBondContact O-N 3.49Å; Y13-W38 HydrophobicContact CE1-CZ3 4.29Å; Y13-W38 AromaticContact CZ-CH2 3.96Å; Y13-W38 AromaticContact CZ-CZ3 3.89Å; Y13-W38 WeakPolarHBondContact OH-CH2 2.76Å; Y13-W38 VanDerWaalsContact OH-CZ3 3.26Å; Y13-W38 WeakPolarHBondContact OH-CZ3 3.27Å; Y13-P52 HydrophobicContact CD2-CG 4.05Å; Y13-P52 HydrophobicContact CE2-CG 3.89Å; Y13-P52 HydrophobicContact CG-CG 4.45Å; Y13-Y55 HydrophobicContact CD2-CD1 4.39Å; Y13-Y55 HydrophobicContact CD2-CE1 4.26Å; Y13-Y55 HydrophobicContact CG-CD1 4.4Å
14T82.4Confident79Confident111 Ų11175.5 Ų75.568%0.68138%0.378SS*.  trans-103123.8177.9-56.20000107.8Q16T14-Q16 PolarHBondContact O-N 2.79Å
15A83.1Confident79.6Confident35 Ų3576.8 Ų76.829%0.28938%0.381SS..  trans-53.2126.6175.600000110.5E20A15-E20 HydrophobicContact CB-CB 3.7Å; A15-E20 WeakPolarHBondContact CB-O 3.16Å
16Q68Low79.7Confident168 Ų16879.4 Ų79.479%0.78539%0.393SS*.SBendtrans-94.8-18.9175.7-60.8-174.4-14.400111.4T14 E20T14-Q16 PolarHBondContact O-N 2.79Å; Q16-E20 WeakPolarHBondContact CA-OE2 3.25Å; Q16-E20 WeakPolarHBondContact CB-OE2 2.91Å; Q16-E20 PolarHBondContact N-OE2 3.37Å
17Q66Low79.8Confident124 Ų12478.2 Ų78.258%0.57939%0.386SS*.SBendtrans-129.3156178.9-54.9-176.1-2.900111.9Q19 E20Q17-Q19 PolarHBondContact O-N 2.81Å; Q17-E20 HydrophobicContact CB-CG 4.09Å; Q17-E20 PolarHBondContact N-OE2 2.94Å; Q17-E20 WeakPolarHBondContact O-CB 3.47Å; Q17-E20 PolarHBondContact O-N 3.18Å
18D74.3Confident79.8Confident176 Ų17686.7 Ų86.794%0.94142%0.418SS*.THydrogen-bonded Turntrans-60.1-18.8178.9-75.9-91.9000115
19Q74.1Confident80.1Confident136 Ų13685 Ų8564%0.63641%0.409SS*.THydrogen-bonded Turntrans-91.3-9.2178.2-60.3-170.73.300113Q17 G49 Y50Q17-Q19 PolarHBondContact O-N 2.81Å; Q19-G49 WeakPolarHBondContact O-CA 3.36Å; Q19-Y50 HydrophobicContact CB-CD2 4.08Å; Q19-Y50 HydrophobicContact CB-CE2 4.45Å; Q19-Y50 VanDerWaalsContact O-CD2 3.27Å; Q19-Y50 WeakPolarHBondContact O-CD2 3.44Å; Q19-Y50 PolarHBondContact O-N 2.88Å
20E85.2Confident80.3Confident21 Ų2188.1 Ų88.110%0.09842%0.421CS..BIsolated β-bridgetrans-92156.6-176.8-64.3167.9177.400111.2Y13 A15 Q16 Q17 W38 Y50Y13-E20 HydrophobicContact CE1-CB 4.44Å; Y13-E20 PolarHBondContact OH-OE2 2.82Å; A15-E20 HydrophobicContact CB-CB 3.7Å; A15-E20 WeakPolarHBondContact CB-O 3.16Å; Q16-E20 WeakPolarHBondContact CA-OE2 3.25Å; Q16-E20 WeakPolarHBondContact CB-OE2 2.91Å; Q16-E20 PolarHBondContact N-OE2 3.37Å; Q17-E20 HydrophobicContact CB-CG 4.09Å; Q17-E20 PolarHBondContact N-OE2 2.94Å; Q17-E20 WeakPolarHBondContact O-CB 3.47Å; Q17-E20 PolarHBondContact O-N 3.18Å; E20-W38 HydrophobicContact CB-CZ3 4.47Å; E20-W38 VanDerWaalsContact CD-CZ3 3.49Å; E20-W38 HydrophobicContact CG-CE3 4.23Å; E20-W38 HydrophobicContact CG-CH2 4.24Å; E20-W38 HydrophobicContact CG-CZ3 3.61Å; E20-W38 WeakPolarHBondContact OE1-CH2 3.44Å; E20-W38 WeakPolarHBondContact OE1-CZ3 3.45Å; E20-Y50 CarbonylContact C-O 3.37Å; E20-Y50 VanDerWaalsContact CA-O 3.24Å; E20-Y50 WeakPolarHBondContact CA-O 3.49Å
21L84.8Confident80.9Confident7 Ų785.3 Ų85.34%0.03741%0.41CS..  trans-109.9133.3179.4-161.367.9000110.7Y13 I23 L29 V41 N43 K47 Y50 V51Y13-L21 WeakPolarHBondContact CD1-O 3.38Å; L21-I23 HydrophobicContact CD2-CG2 4.47Å; L21-L29 HydrophobicContact CD2-CD2 4.44Å; L21-V41 HydrophobicContact CD2-CG2 3.88Å; L21-N43 HydrophobicContact CD2-CB 4.02Å; L21-K47 HydrophobicContact CD1-CB 3.8Å; L21-Y50 PolarHBondContact N-O 3Å; L21-V51 HydrophobicContact CB-CG1 3.92Å
22D85.7Confident81.6Confident79 Ų7985.1 Ų85.142%0.42242%0.415SS..  trans-66.6131.8165.863.7-76.2000109.9Y13Y13-D22 WeakPolarHBondContact O-CA 3.41Å
23I87.6Confident81.3Confident3 Ų382.5 Ų82.52%0.01540%0.4CS..BIsolated β-bridgetrans-134.4143.9177.959.6171000109.5A9 D12 Y13 L21 L29 V51 V56A9-I23 HydrophobicContact CB-CB 4.17Å; A9-I23 HydrophobicContact CB-CD1 3.93Å; A9-I23 HydrophobicContact CB-CG1 4.34Å; D12-I23 CarbonylContact C-O 3.54Å; D12-I23 VanDerWaalsContact CA-O 3.29Å; D12-I23 WeakPolarHBondContact CA-O 3.45Å; Y13-I23 HydrophobicContact CD1-CG1 4.23Å; Y13-I23 HydrophobicContact CG-CG1 4.39Å; Y13-I23 PolarHBondContact N-O 3.37Å; Y13-I23 PolarHBondContact O-N 3.49Å; L21-I23 HydrophobicContact CD2-CG2 4.47Å; I23-L29 HydrophobicContact CB-CD1 4.15Å; I23-L29 HydrophobicContact CG2-CD1 3.48Å; I23-L29 VanDerWaalsContact CG2-CD1 3.48Å; I23-L29 HydrophobicContact CG2-CD2 3.95Å; I23-L29 HydrophobicContact CG2-CG 4.34Å; I23-V51 HydrophobicContact CD1-CB 4.08Å; I23-V51 HydrophobicContact CD1-CG1 4.06Å; I23-V51 HydrophobicContact CG1-CG1 4.39Å; I23-V51 HydrophobicContact CG2-CG1 3.63Å; I23-V56 HydrophobicContact CD1-CG1 3.9Å
24K84.1Confident81.4Confident144 Ų14484.8 Ų84.863%0.62641%0.414SS*.  trans-105147.1175.2-67-176-179.9-179.80110.7A9 N26 E27A9-K24 WeakPolarHBondContact CB-O 3.39Å; K24-N26 PolarHBondContact O-N 3.38Å; K24-E27 HydrophobicContact CB-CB 4.34Å; K24-E27 PolarHBondContact N-OE2 3Å; K24-E27 WeakPolarHBondContact O-CA 3.42Å; K24-E27 WeakPolarHBondContact O-CB 3.42Å; K24-E27 PolarHBondContact O-N 3.33Å
25K81.1Confident80.2Confident137 Ų13781.6 Ų81.660%0.59640%0.397SS*.THydrogen-bonded Turntrans-49.3132.7171.5179.8165.1-175.5-179.30110.8K10 W11 E27K10-K25 WeakPolarHBondContact O-CD 3.19Å; K10-K25 WeakPolarHBondContact O-CE 3.46Å; K10-K25 VanDerWaalsContact O-CG 3.29Å; K10-K25 WeakPolarHBondContact O-CG 3.42Å; W11-K25 PolarHBondContact O-N 3.07Å; K25-E27 PolarHBondContact O-N 2.83Å
26N80.1Confident79.3Confident121 Ų12186.7 Ų86.765%0.64741%0.412SS*.THydrogen-bonded Turntrans66.713.7-175.9-157.350.1000115.2A9 K24A9-N26 VanDerWaalsContact O-CA 3.29Å; A9-N26 WeakPolarHBondContact O-CA 3.16Å; A9-N26 PolarHBondContact O-N 3.49Å; K24-N26 PolarHBondContact O-N 3.38Å
27E86.2Confident78.7Confident49 Ų4983.9 Ų83.923%0.22941%0.407CS..  trans-73.8141.8172.5-172.3169.2179.400111.3I8 A9 K24 K25 L29I8-E27 CarbonylContact C-O 3.58Å; I8-E27 VanDerWaalsContact CA-O 3.32Å; I8-E27 WeakPolarHBondContact CA-O 3.28Å; A9-E27 HydrophobicContact CB-CB 4.24Å; A9-E27 PolarHBondContact N-O 2.81Å; K24-E27 HydrophobicContact CB-CB 4.34Å; K24-E27 PolarHBondContact N-OE2 3Å; K24-E27 WeakPolarHBondContact O-CA 3.42Å; K24-E27 WeakPolarHBondContact O-CB 3.42Å; K24-E27 PolarHBondContact O-N 3.33Å; K25-E27 PolarHBondContact O-N 2.83Å; E27-L29 HydrophobicContact CG-CD2 4.07Å
28R86.8Confident79.3Confident177 Ų17782.2 Ų82.267%0.66840%0.395SS*.EExtended strand (participates in β ladder)trans-98.4122.6-177.7-46.9171.2-168.7-137.81.6108I6I6-R28 HydrophobicContact CG2-CB 4.35Å
29L88.4Confident79.8Confident0 Ų075.4 Ų75.40%036%0.356CS..EExtended strand (participates in β ladder)trans-125145.6-178.1-48.8157.4000107.3I6 V7 A9 L21 I23 E27 V41 R42 N43 V56I6-L29 CarbonylContact C-O 3.58Å; I6-L29 WeakPolarHBondContact CA-O 3.48Å; V7-L29 HydrophobicContact CG2-CB 3.86Å; V7-L29 PolarHBondContact N-O 3.36Å; V7-L29 PolarHBondContact O-N 3.17Å; V7-L29 VanDerWaalsContact O-O 3.06Å; A9-L29 HydrophobicContact CB-CD1 4.31Å; L21-L29 HydrophobicContact CD2-CD2 4.44Å; I23-L29 HydrophobicContact CB-CD1 4.15Å; I23-L29 HydrophobicContact CG2-CD1 3.48Å; I23-L29 VanDerWaalsContact CG2-CD1 3.48Å; I23-L29 HydrophobicContact CG2-CD2 3.95Å; I23-L29 HydrophobicContact CG2-CG 4.34Å; E27-L29 HydrophobicContact CG-CD2 4.07Å; L29-V41 HydrophobicContact CB-CB 3.99Å; L29-V41 HydrophobicContact CB-CG1 4.45Å; L29-V41 HydrophobicContact CB-CG2 4.38Å; L29-V41 HydrophobicContact CD1-CB 4.47Å; L29-V41 HydrophobicContact CD1-CG2 4.11Å; L29-R42 CarbonylContact C-O 3.58Å; L29-R42 VanDerWaalsContact CA-O 3.31Å; L29-R42 WeakPolarHBondContact CA-O 3.01Å; L29-N43 HydrophobicContact CD2-CB 3.79Å; L29-V56 HydrophobicContact CD1-CG1 3.91Å
30W89.4Confident80.2Confident67 Ų6773.5 Ų73.525%0.25434%0.343SS..EExtended strand (participates in β ladder)trans-91.9128.2171.2-55.9-106.2000108.5L32 V41 R42 A44W30-L32 PolarHBondContact O-N 3.25Å; W30-V41 CarbonylContact O-C 3.55Å; W30-V41 VanDerWaalsContact O-CA 3.3Å; W30-V41 WeakPolarHBondContact O-CA 3.48Å; W30-R42 HydrophobicContact CB-CG 3.53Å; W30-R42 HydrophobicContact CD2-CG 4.34Å; W30-R42 HydrophobicContact CE3-CG 4.08Å; W30-R42 HydrophobicContact CG-CG 4.19Å; W30-R42 PolarHBondContact N-O 3Å; W30-R42 VanDerWaalsContact NE1-NH2 3.2Å; W30-R42 PolarHBondContact O-N 3.11Å; W30-A44 HydrophobicContact CH2-CB 4.33Å; W30-A44 HydrophobicContact CZ3-CB 4.17Å
31L86.8Confident80.4Confident21 Ų2172.5 Ų72.511%0.1134%0.338CS..EExtended strand (participates in β ladder)trans-73.8123.4177.8-175.964.9000109.1V5 V7 D34 W39 V41 R58V5-L31 HydrophobicContact CB-CB 4.17Å; V5-L31 HydrophobicContact CB-CD2 4.35Å; V5-L31 HydrophobicContact CG1-CB 4.21Å; V5-L31 HydrophobicContact CG1-CD2 3.9Å; V5-L31 WeakPolarHBondContact O-CB 3.43Å; V5-L31 PolarHBondContact O-N 3.37Å; V7-L31 HydrophobicContact CG1-CB 3.92Å; V7-L31 HydrophobicContact CG1-CD1 4.34Å; V7-L31 HydrophobicContact CG1-CD2 4.13Å; V7-L31 HydrophobicContact CG1-CG 4.38Å; L31-D34 HydrophobicContact CD1-CB 4.11Å; L31-D34 HydrophobicContact CD2-CB 3.99Å; L31-D34 HydrophobicContact CG-CB 4.43Å; L31-W39 HydrophobicContact CD1-CB 3.99Å; L31-W39 HydrophobicContact CD1-CD2 4.06Å; L31-W39 HydrophobicContact CD1-CE3 3.72Å; L31-W39 HydrophobicContact CD1-CG 4.21Å; L31-V41 HydrophobicContact CD1-CG1 4.15Å; L31-R58 HydrophobicContact CD2-CG 4.3Å
32L81.3Confident80.6Confident78 Ų7874.7 Ų74.741%0.40835%0.346SS..EExtended strand (participates in β ladder)trans-100.7-37.7175.4-64.5175.2000111.2W30 R40 R42 T48W30-L32 PolarHBondContact O-N 3.25Å; L32-R40 WeakPolarHBondContact CA-O 3.47Å; L32-R40 HydrophobicContact CB-CB 4.38Å; L32-R40 HydrophobicContact CB-CG 4.41Å; L32-R40 WeakPolarHBondContact CB-O 3.31Å; L32-R40 HydrophobicContact CD1-CG 4.41Å; L32-R40 PolarHBondContact N-O 2.95Å; L32-R42 HydrophobicContact CD1-CB 4.01Å; L32-R42 HydrophobicContact CD1-CG 4.39Å; L32-R42 HydrophobicContact CD2-CG 4.27Å; L32-R42 HydrophobicContact CG-CB 4.38Å; L32-R42 HydrophobicContact CG-CG 4.26Å; L32-T48 HydrophobicContact CD1-CG2 3.64Å
33D74.8Confident80.7Confident55 Ų5571.5 Ų71.529%0.29433%0.329SS..EExtended strand (participates in β ladder)trans-156119.6-179.4-177-92.1000110.6S35 W39 R40D33-S35 VanDerWaalsContact CG-OG 3.29Å; D33-S35 WeakPolarHBondContact OD1-CB 3.19Å; D33-S35 PolarHBondContact OD1-N 3.42Å; D33-S35 PolarHBondContact OD1-OG 2.81Å; D33-S35 WeakPolarHBondContact OD2-CB 3.18Å; D33-S35 PolarHBondContact OD2-OG 3.25Å; D33-W39 CarbonylContact O-C 3.52Å; D33-W39 WeakPolarHBondContact O-CA 2.97Å; D33-R40 HydrophobicContact CB-CB 3.87Å; D33-R40 PolarHBondContact N-O 3.48Å; D33-R40 VanDerWaalsContact N-O 3.09Å; D33-R40 PolarHBondContact O-N 3.2Å
34D78.6Confident80.5Confident72 Ų7275.2 Ų75.239%0.38536%0.36SS..  trans-101.824.4171.558.7-54.7000112L31 K36 W39 R58L31-D34 HydrophobicContact CD1-CB 4.11Å; L31-D34 HydrophobicContact CD2-CB 3.99Å; L31-D34 HydrophobicContact CG-CB 4.43Å; D34-K36 PolarHBondContact O-N 3.42Å; D34-W39 HydrophobicContact CB-CD2 3.89Å; D34-W39 HydrophobicContact CB-CG 4.1Å; D34-W39 HydrophobicContact CB-CZ2 4.18Å; D34-R58 IonicContact OD2-NH1 3.08Å
35S57.1Low80.5Confident44 Ų4471.8 Ų71.831%0.30836%0.359SS..SBendtrans-73.3-15.6-166.6-69.80000115.4D33 K329D33-S35 VanDerWaalsContact CG-OG 3.29Å; D33-S35 WeakPolarHBondContact OD1-CB 3.19Å; D33-S35 PolarHBondContact OD1-N 3.42Å; D33-S35 PolarHBondContact OD1-OG 2.81Å; D33-S35 WeakPolarHBondContact OD2-CB 3.18Å; D33-S35 PolarHBondContact OD2-OG 3.25Å; S35-K329 PolarHBondContact O-NZ 2.95Å; S35-K329 WeakPolarHBondContact OG-CE 3.29Å; S35-K329 PolarHBondContact OG-NZ 2.81Å
36K64.2Low80.6Confident142 Ų14271.4 Ų71.462%0.61736%0.363SS*.SBendtrans-133.2177.3-171.3-62179.3-178.6-179.70109.3D34 W38 W39D34-K36 PolarHBondContact O-N 3.42Å; K36-W38 PolarHBondContact O-N 3.26Å; K36-W39 PolarHBondContact O-NE1 2.99Å
37T56.3Low80.8Confident109 Ų10971.8 Ų71.867%0.66936%0.359SS*.SBendtrans-65.3-21.6172.3500000113S53T37-S53 VanDerWaalsContact O-CB 3.28Å; T37-S53 WeakPolarHBondContact O-CB 3.19Å; T37-S53 PolarHBondContact O-N 3.06Å; T37-S53 PolarHBondContact O-OG 2.94Å; T37-S53 VanDerWaalsContact O-OG 3.14Å
38W78Confident80.9Confident89 Ų8972.7 Ų72.734%0.33737%0.368SS..EExtended strand (participates in β ladder)trans-106.2115.2170.4-72.575.6000109.3Y13 E20 K36 Y50 V51 P52Y13-W38 HydrophobicContact CE1-CZ3 4.29Å; Y13-W38 AromaticContact CZ-CH2 3.96Å; Y13-W38 AromaticContact CZ-CZ3 3.89Å; Y13-W38 WeakPolarHBondContact OH-CH2 2.76Å; Y13-W38 VanDerWaalsContact OH-CZ3 3.26Å; Y13-W38 WeakPolarHBondContact OH-CZ3 3.27Å; E20-W38 HydrophobicContact CB-CZ3 4.47Å; E20-W38 VanDerWaalsContact CD-CZ3 3.49Å; E20-W38 HydrophobicContact CG-CE3 4.23Å; E20-W38 HydrophobicContact CG-CH2 4.24Å; E20-W38 HydrophobicContact CG-CZ3 3.61Å; E20-W38 WeakPolarHBondContact OE1-CH2 3.44Å; E20-W38 WeakPolarHBondContact OE1-CZ3 3.45Å; K36-W38 PolarHBondContact O-N 3.26Å; W38-Y50 HydrophobicContact CB-CD1 4.31Å; W38-V51 CarbonylContact C-O 3.52Å; W38-V51 WeakPolarHBondContact CA-O 3.14Å; W38-P52 HydrophobicContact CE3-CG 4.41Å; W38-P52 HydrophobicContact CH2-CG 4.14Å; W38-P52 HydrophobicContact CZ3-CG 4.02Å
39W84.4Confident80.8Confident33 Ų3364.4 Ų64.413%0.12534%0.338CS..EExtended strand (participates in β ladder)trans-84.1133.3-178.9-69.85.7000109.9V7 L31 D33 D34 K36 V41 Y50 V51 S53 V56 R58V7-W39 HydrophobicContact CG1-CE3 4.21Å; V7-W39 HydrophobicContact CG1-CZ3 3.94Å; L31-W39 HydrophobicContact CD1-CB 3.99Å; L31-W39 HydrophobicContact CD1-CD2 4.06Å; L31-W39 HydrophobicContact CD1-CE3 3.72Å; L31-W39 HydrophobicContact CD1-CG 4.21Å; D33-W39 CarbonylContact O-C 3.52Å; D33-W39 WeakPolarHBondContact O-CA 2.97Å; D34-W39 HydrophobicContact CB-CD2 3.89Å; D34-W39 HydrophobicContact CB-CG 4.1Å; D34-W39 HydrophobicContact CB-CZ2 4.18Å; K36-W39 PolarHBondContact O-NE1 2.99Å; W39-V41 HydrophobicContact CB-CG1 4.35Å; W39-Y50 CarbonylContact O-C 3.59Å; W39-Y50 WeakPolarHBondContact O-CA 3.43Å; W39-V51 HydrophobicContact CB-CG2 4.35Å; W39-V51 PolarHBondContact N-O 2.97Å; W39-V51 PolarHBondContact O-N 2.91Å; W39-S53 VanDerWaalsContact CE2-CB 3.45Å; W39-V56 HydrophobicContact CD2-CG2 4.08Å; W39-V56 HydrophobicContact CE3-CB 4.5Å; W39-V56 HydrophobicContact CE3-CG2 3.37Å; W39-V56 HydrophobicContact CZ3-CG2 3.82Å; W39-R58 HydrophobicContact CH2-CG 4.35Å; W39-R58 HydrophobicContact CZ3-CG 4.12Å
40R84.3Confident80.6Confident95 Ų9567.8 Ų67.836%0.35835%0.351SS..EExtended strand (participates in β ladder)trans-83.2122.3171.2-161.5177.8176.7-139-4.3108.6L32 D33 T48 G49 Y50L32-R40 WeakPolarHBondContact CA-O 3.47Å; L32-R40 HydrophobicContact CB-CB 4.38Å; L32-R40 HydrophobicContact CB-CG 4.41Å; L32-R40 WeakPolarHBondContact CB-O 3.31Å; L32-R40 HydrophobicContact CD1-CG 4.41Å; L32-R40 PolarHBondContact N-O 2.95Å; D33-R40 HydrophobicContact CB-CB 3.87Å; D33-R40 PolarHBondContact N-O 3.48Å; D33-R40 VanDerWaalsContact N-O 3.09Å; D33-R40 PolarHBondContact O-N 3.2Å; R40-T48 PolarHBondContact NH2-OG1 2.86Å; R40-T48 VanDerWaalsContact NH2-OG1 3.11Å; R40-G49 WeakPolarHBondContact CA-O 3.32Å; R40-Y50 HydrophobicContact CB-CD1 4.04Å; R40-Y50 HydrophobicContact CB-CE1 3.83Å; R40-Y50 HydrophobicContact CG-CD1 4.39Å; R40-Y50 HydrophobicContact CG-CE1 4.1Å
41V89.3Confident80.3Confident0 Ų064.6 Ų64.60%034%0.339CS..EExtended strand (participates in β ladder)trans-129.7154.3-177.1-62.90000109.9V7 L21 L29 W30 L31 W39 T48 G49 V51V7-V41 HydrophobicContact CG2-CG1 3.92Å; L21-V41 HydrophobicContact CD2-CG2 3.88Å; L29-V41 HydrophobicContact CB-CB 3.99Å; L29-V41 HydrophobicContact CB-CG1 4.45Å; L29-V41 HydrophobicContact CB-CG2 4.38Å; L29-V41 HydrophobicContact CD1-CB 4.47Å; L29-V41 HydrophobicContact CD1-CG2 4.11Å; W30-V41 CarbonylContact O-C 3.55Å; W30-V41 VanDerWaalsContact O-CA 3.3Å; W30-V41 WeakPolarHBondContact O-CA 3.48Å; L31-V41 HydrophobicContact CD1-CG1 4.15Å; W39-V41 HydrophobicContact CB-CG1 4.35Å; V41-T48 VanDerWaalsContact O-CA 3.28Å; V41-T48 WeakPolarHBondContact O-CA 3.37Å; V41-G49 PolarHBondContact N-O 3.04Å; V41-G49 PolarHBondContact O-N 3.04Å; V41-V51 HydrophobicContact CB-CG2 4.32Å; V41-V51 HydrophobicContact CG1-CG2 3.72Å; V41-V51 HydrophobicContact CG2-CB 4.23Å; V41-V51 HydrophobicContact CG2-CG1 3.57Å; V41-V51 HydrophobicContact CG2-CG2 3.58Å
42R88Confident79.7Confident54 Ų5464.5 Ų64.520%0.20434%0.34CS..EExtended strand (participates in β ladder)trans-111137.9166.962.3172.1-159.7-154.30.3109.9E4 L29 W30 L32 K47 T48E4-R42 IonicContact OE1-CZ 3.02Å; E4-R42 VanDerWaalsContact OE1-CZ 3.22Å; E4-R42 IonicContact OE1-NH1 2.88Å; E4-R42 PolarHBondContact OE1-NH1 3.44Å; E4-R42 IonicContact OE1-NH2 3.3Å; E4-R42 PolarHBondContact OE1-NH2 3.12Å; E4-R42 IonicContact OE2-NH2 2.69Å; E4-R42 PolarHBondContact OE2-NH2 3.21Å; L29-R42 CarbonylContact C-O 3.58Å; L29-R42 VanDerWaalsContact CA-O 3.31Å; L29-R42 WeakPolarHBondContact CA-O 3.01Å; W30-R42 HydrophobicContact CB-CG 3.53Å; W30-R42 HydrophobicContact CD2-CG 4.34Å; W30-R42 HydrophobicContact CE3-CG 4.08Å; W30-R42 HydrophobicContact CG-CG 4.19Å; W30-R42 PolarHBondContact N-O 3Å; W30-R42 VanDerWaalsContact NE1-NH2 3.2Å; W30-R42 PolarHBondContact O-N 3.11Å; L32-R42 HydrophobicContact CD1-CB 4.01Å; L32-R42 HydrophobicContact CD1-CG 4.39Å; L32-R42 HydrophobicContact CD2-CG 4.27Å; L32-R42 HydrophobicContact CG-CB 4.38Å; L32-R42 HydrophobicContact CG-CG 4.26Å; R42-K47 VanDerWaalsContact CA-O 3.31Å; R42-K47 WeakPolarHBondContact CA-O 3.39Å; R42-T48 HydrophobicContact CB-CG2 4.03Å
43N87.8Confident79.4Confident12 Ų1262.1 Ų62.16%0.06433%0.33CS..  trans-88.9-179.6171.772.33.7000112L21 L29 A45 N46 K47L21-N43 HydrophobicContact CD2-CB 4.02Å; L29-N43 HydrophobicContact CD2-CB 3.79Å; N43-A45 PolarHBondContact O-N 2.69Å; N43-A45 WeakPolarHBondContact OD1-CA 3.37Å; N43-A45 WeakPolarHBondContact OD1-CB 3.02Å; N43-A45 PolarHBondContact OD1-N 3.3Å; N43-N46 PolarHBondContact O-N 2.78Å; N43-N46 VanDerWaalsContact O-N 3.11Å; N43-N46 PolarHBondContact OD1-N 2.81Å; N43-K47 PolarHBondContact N-O 3.24Å; N43-K47 PolarHBondContact OD1-N 3Å; N43-K47 PolarHBondContact OD1-O 3.47Å
44A84.2Confident79.4Confident80 Ų8064.5 Ų64.566%0.66134%0.343SS*.THydrogen-bonded Turntrans-66.7-18178.600000113.8W30 N46W30-A44 HydrophobicContact CH2-CB 4.33Å; W30-A44 HydrophobicContact CZ3-CB 4.17Å; A44-N46 VanDerWaalsContact C-N 3.27Å
45A84.3Confident79.2Confident72 Ų7265 Ų6560%0.59534%0.34SS*.THydrogen-bonded Turntrans-88.212.1174.800000112.9N43 K47N43-A45 PolarHBondContact O-N 2.69Å; N43-A45 WeakPolarHBondContact OD1-CA 3.37Å; N43-A45 WeakPolarHBondContact OD1-CB 3.02Å; N43-A45 PolarHBondContact OD1-N 3.3Å; A45-K47 PolarHBondContact O-N 2.61Å; A45-K47 VanDerWaalsContact O-N 3.09Å
46N83.3Confident80.4Confident130 Ų13063.3 Ų63.370%0.69533%0.327SS*.SBendtrans57.915.2-174.4-73.9-14.9000114.8N43 A44N43-N46 PolarHBondContact O-N 2.78Å; N43-N46 VanDerWaalsContact O-N 3.11Å; N43-N46 PolarHBondContact OD1-N 2.81Å; A44-N46 VanDerWaalsContact C-N 3.27Å
47K83.9Confident81.1Confident129 Ų12961.4 Ų61.456%0.56132%0.321SS*.  trans-76.7130.7169.6-69.4-171.6176.1-175.60108.7L21 R42 N43 A45L21-K47 HydrophobicContact CD1-CB 3.8Å; R42-K47 VanDerWaalsContact CA-O 3.31Å; R42-K47 WeakPolarHBondContact CA-O 3.39Å; N43-K47 PolarHBondContact N-O 3.24Å; N43-K47 PolarHBondContact OD1-N 3Å; N43-K47 PolarHBondContact OD1-O 3.47Å; A45-K47 PolarHBondContact O-N 2.61Å; A45-K47 VanDerWaalsContact O-N 3.09Å
48T88.3Confident82.2Confident67 Ų6762.6 Ų62.641%0.41131%0.313SS..EExtended strand (participates in β ladder)trans-105.7137.5174.773.30000109.7L32 R40 V41 R42L32-T48 HydrophobicContact CD1-CG2 3.64Å; R40-T48 PolarHBondContact NH2-OG1 2.86Å; R40-T48 VanDerWaalsContact NH2-OG1 3.11Å; V41-T48 VanDerWaalsContact O-CA 3.28Å; V41-T48 WeakPolarHBondContact O-CA 3.37Å; R42-T48 HydrophobicContact CB-CG2 4.03Å
49G84Confident81.7Confident4 Ų465 Ų654%0.04133%0.325CS..EExtended strand (participates in β ladder)trans-161.6178.8170.300000110.9Q19 R40 V41Q19-G49 WeakPolarHBondContact O-CA 3.36Å; R40-G49 WeakPolarHBondContact CA-O 3.32Å; V41-G49 PolarHBondContact N-O 3.04Å; V41-G49 PolarHBondContact O-N 3.04Å
50Y84Confident79.8Confident70 Ų7070.3 Ų70.328%0.27536%0.356SS..EExtended strand (participates in β ladder)trans-90.3139.9178.2-66.4-78.3000111Q19 E20 L21 W38 W39 R40Q19-Y50 HydrophobicContact CB-CD2 4.08Å; Q19-Y50 HydrophobicContact CB-CE2 4.45Å; Q19-Y50 VanDerWaalsContact O-CD2 3.27Å; Q19-Y50 WeakPolarHBondContact O-CD2 3.44Å; Q19-Y50 PolarHBondContact O-N 2.88Å; E20-Y50 CarbonylContact C-O 3.37Å; E20-Y50 VanDerWaalsContact CA-O 3.24Å; E20-Y50 WeakPolarHBondContact CA-O 3.49Å; L21-Y50 PolarHBondContact N-O 3Å; W38-Y50 HydrophobicContact CB-CD1 4.31Å; W39-Y50 CarbonylContact O-C 3.59Å; W39-Y50 WeakPolarHBondContact O-CA 3.43Å; R40-Y50 HydrophobicContact CB-CD1 4.04Å; R40-Y50 HydrophobicContact CB-CE1 3.83Å; R40-Y50 HydrophobicContact CG-CD1 4.39Å; R40-Y50 HydrophobicContact CG-CE1 4.1Å
51V84.5Confident77.5Confident0 Ų070.4 Ų70.40%037%0.372CS..EExtended strand (participates in β ladder)trans-132.8148.7174.2-59.90000109.4L21 I23 W38 W39 V41 S53 V56L21-V51 HydrophobicContact CB-CG1 3.92Å; I23-V51 HydrophobicContact CD1-CB 4.08Å; I23-V51 HydrophobicContact CD1-CG1 4.06Å; I23-V51 HydrophobicContact CG1-CG1 4.39Å; I23-V51 HydrophobicContact CG2-CG1 3.63Å; W38-V51 CarbonylContact C-O 3.52Å; W38-V51 WeakPolarHBondContact CA-O 3.14Å; W39-V51 HydrophobicContact CB-CG2 4.35Å; W39-V51 PolarHBondContact N-O 2.97Å; W39-V51 PolarHBondContact O-N 2.91Å; V41-V51 HydrophobicContact CB-CG2 4.32Å; V41-V51 HydrophobicContact CG1-CG2 3.72Å; V41-V51 HydrophobicContact CG2-CB 4.23Å; V41-V51 HydrophobicContact CG2-CG1 3.57Å; V41-V51 HydrophobicContact CG2-CG2 3.58Å; V51-S53 PolarHBondContact O-N 3.48Å; V51-V56 HydrophobicContact CG2-CG1 3.81Å; V51-V56 HydrophobicContact CG2-CG2 4.05Å
52P72.5Confident75.1Confident19 Ų1978 Ų7812%0.12341%0.411CS..EExtended strand (participates in β ladder)trans-62.7133.9177.6-8.718.8000110.2Y13 W38 N54 Y55Y13-P52 HydrophobicContact CD2-CG 4.05Å; Y13-P52 HydrophobicContact CE2-CG 3.89Å; Y13-P52 HydrophobicContact CG-CG 4.45Å; W38-P52 HydrophobicContact CE3-CG 4.41Å; W38-P52 HydrophobicContact CH2-CG 4.14Å; W38-P52 HydrophobicContact CZ3-CG 4.02Å; P52-N54 PolarHBondContact O-N 3.07Å; P52-Y55 HydrophobicContact CB-CD2 3.78Å; P52-Y55 HydrophobicContact CB-CE2 4.49Å; P52-Y55 HydrophobicContact CB-CG 4.31Å; P52-Y55 HydrophobicContact CG-CD2 3.89Å; P52-Y55 HydrophobicContact CG-CE2 4.42Å; P52-Y55 HydrophobicContact CG-CG 4.13Å; P52-Y55 WeakPolarHBondContact O-CB 3.28Å; P52-Y55 PolarHBondContact O-N 2.86Å
53S75.4Confident72.6Confident29 Ų2985.1 Ų85.120%0.20344%0.444CS..G310 helixtrans-58.8-33.8179.862.60000112.6T37 W39 V51 Y55 V56T37-S53 VanDerWaalsContact O-CB 3.28Å; T37-S53 WeakPolarHBondContact O-CB 3.19Å; T37-S53 PolarHBondContact O-N 3.06Å; T37-S53 PolarHBondContact O-OG 2.94Å; T37-S53 VanDerWaalsContact O-OG 3.14Å; W39-S53 VanDerWaalsContact CE2-CB 3.45Å; V51-S53 PolarHBondContact O-N 3.48Å; S53-Y55 PolarHBondContact O-N 2.78Å; S53-Y55 VanDerWaalsContact O-N 3.16Å; S53-V56 PolarHBondContact O-N 2.84Å; S53-V56 VanDerWaalsContact O-O 3.12Å
54N75.2Confident70.2Confident105 Ų10594.6 Ų94.656%0.56148%0.484SS*.G310 helixtrans-67.7-9.7176.8-73.2-17.9000113W11 P52W11-N54 WeakPolarHBondContact CZ3-O 3.3Å; P52-N54 PolarHBondContact O-N 3.07Å
55Y74.6Confident67.7Low83 Ų8394.3 Ų94.333%0.32549%0.49SS..G310 helixtrans-100.5-4-179.1-82.5-117.7000113.8A9 K10 W11 Y13 P52 S53A9-Y55 CarbonylContact C-O 3.36Å; A9-Y55 WeakPolarHBondContact CA-O 3.3Å; K10-Y55 PolarHBondContact N-O 2.89Å; W11-Y55 HydrophobicContact CB-CD1 3.83Å; W11-Y55 HydrophobicContact CB-CE1 3.97Å; W11-Y55 HydrophobicContact CE3-CD1 4.48Å; W11-Y55 HydrophobicContact CE3-CG 4.39Å; Y13-Y55 HydrophobicContact CD2-CD1 4.39Å; Y13-Y55 HydrophobicContact CD2-CE1 4.26Å; Y13-Y55 HydrophobicContact CG-CD1 4.4Å; P52-Y55 HydrophobicContact CB-CD2 3.78Å; P52-Y55 HydrophobicContact CB-CE2 4.49Å; P52-Y55 HydrophobicContact CB-CG 4.31Å; P52-Y55 HydrophobicContact CG-CD2 3.89Å; P52-Y55 HydrophobicContact CG-CE2 4.42Å; P52-Y55 HydrophobicContact CG-CG 4.13Å; P52-Y55 WeakPolarHBondContact O-CB 3.28Å; P52-Y55 PolarHBondContact O-N 2.86Å; S53-Y55 PolarHBondContact O-N 2.78Å; S53-Y55 VanDerWaalsContact O-N 3.16Å
56V82.1Confident65.1Low7 Ų796.4 Ų96.44%0.04250%0.5CS..EExtended strand (participates in β ladder)trans-134.2140.5-174.3-71.30000111.7V7 I8 A9 I23 L29 W39 V51 S53V7-V56 HydrophobicContact CB-CB 4.22Å; V7-V56 HydrophobicContact CG2-CB 4.15Å; V7-V56 HydrophobicContact CG2-CG1 4.39Å; I8-V56 CarbonylContact O-C 3.44Å; I8-V56 WeakPolarHBondContact O-CA 3.5Å; A9-V56 HydrophobicContact CB-CG1 4.43Å; I23-V56 HydrophobicContact CD1-CG1 3.9Å; L29-V56 HydrophobicContact CD1-CG1 3.91Å; W39-V56 HydrophobicContact CD2-CG2 4.08Å; W39-V56 HydrophobicContact CE3-CB 4.5Å; W39-V56 HydrophobicContact CE3-CG2 3.37Å; W39-V56 HydrophobicContact CZ3-CG2 3.82Å; V51-V56 HydrophobicContact CG2-CG1 3.81Å; V51-V56 HydrophobicContact CG2-CG2 4.05Å; S53-V56 PolarHBondContact O-N 2.84Å; S53-V56 VanDerWaalsContact O-O 3.12Å
57E79.5Confident63.2Low103 Ų10397.9 Ų97.948%0.48151%0.507SS..EExtended strand (participates in β ladder)trans-114.4133.7178.7-159.4164.666.200111.9V7 I8 K10 K59V7-E57 CarbonylContact C-O 3.48Å; V7-E57 WeakPolarHBondContact CA-O 3.38Å; V7-E57 WeakPolarHBondContact CB-O 3.47Å; I8-E57 PolarHBondContact N-O 2.87Å; I8-E57 PolarHBondContact O-N 3.41Å; K10-E57 HydrophobicContact CD-CB 4.3Å; K10-E57 WeakPolarHBondContact CE-OE2 3.44Å; K10-E57 HydrophobicContact CG-CB 4.1Å; K10-E57 IonicContact NZ-OE2 3.42Å; K10-E57 PolarHBondContact NZ-OE2 2.82Å; E57-K59 PolarHBondContact O-N 2.81Å
58R79.3Confident61Low134 Ų13497.1 Ų97.151%0.50651%0.513SS..EExtended strand (participates in β ladder)trans-70.7117.1169.2-76.3-177-73.2-164.9-5.6109.8V5 V7 L31 D34 W39 N60V5-R58 HydrophobicContact CG1-CG 4.18Å; V7-R58 HydrophobicContact CG1-CB 4.39Å; V7-R58 HydrophobicContact CG1-CG 3.61Å; L31-R58 HydrophobicContact CD2-CG 4.3Å; D34-R58 IonicContact OD2-NH1 3.08Å; W39-R58 HydrophobicContact CH2-CG 4.35Å; W39-R58 HydrophobicContact CZ3-CG 4.12Å; R58-N60 PolarHBondContact O-N 2.89Å; R58-N60 VanDerWaalsContact O-N 3.09Å
59K66Low58.6Low138 Ų138102.2 Ų102.260%0.653%0.529SS*.  trans-79.496.8171.3-175.9165.8174.6171.60108.5I6 I8 E57I6-K59 PolarHBondContact O-N 2.91Å; I6-K59 VanDerWaalsContact O-N 3.14Å; I8-K59 HydrophobicContact CD1-CB 4.07Å; I8-K59 HydrophobicContact CD1-CD 3.58Å; I8-K59 HydrophobicContact CD1-CG 4.38Å; I8-K59 HydrophobicContact CG1-CB 4.37Å; E57-K59 PolarHBondContact O-N 2.81Å
60N45.4Very low55.9Low145 Ų145109.6 Ų109.678%0.77557%0.568SS**  trans-60.7140.5177.1-159.335000110.9R58R58-N60 PolarHBondContact O-N 2.89Å; R58-N60 VanDerWaalsContact O-N 3.09Å
61S35.6Very low53.5Low97 Ų97113.9 Ų113.968%0.67860%0.595SS**  trans-42.5133.5174-175.20000112.7K63S61-K63 PolarHBondContact O-N 2.8Å
62L38.4Very low50.9Low160 Ų160121.4 Ų121.484%0.83863%0.628SS**  trans-56.6100.1169.1-77153000109.9K64L62-K64 PolarHBondContact O-N 3.06Å
63K37.2Very low49.1Very low204 Ų204125.8 Ų125.889%0.88765%0.65SS**  trans-73.4106.5150.5-79-172.5178.2-179.60107.4S61S61-K63 PolarHBondContact O-N 2.8Å
64K37.6Very low47.1Very low210 Ų210129.7 Ų129.791%0.91367%0.673SS**  trans-62.5133.2165.6-90.8-179173.9176.50109.7L62L62-K64 PolarHBondContact O-N 3.06Å
65G31Very low45.1Very low75 Ų75132.7 Ų132.777%0.77369%0.688SS**  trans125.481.3175.100000109.2
66S29.3Very low42.8Very low116 Ų116132 Ų13281%0.81171%0.706SS**  -153.9124.859.9-164.40000111.4V68S66-V68 PolarHBondContact O-N 2.86Å
67L42.7Very low40.4Very low160 Ų160140.4 Ų140.484%0.83875%0.75SS**  trans-61.9117.9155.1-74.4132.2000107.4
68V38Very low37.9Very low114 Ų114138.8 Ų138.869%0.69176%0.761SS**  168.3126.5113.2-79.40000111.8S66S66-V68 PolarHBondContact O-N 2.86Å
69K38.1Very low35.4Very low173 Ų173141.6 Ų141.675%0.75278%0.776SS**  trans61.4128.2141.4-59.4172-179.8176.70116.9
70N28.6Very low33.6Very low159 Ų159140.6 Ų140.685%0.8578%0.782SS**  -154.911863.7-73.6-61.3000111.1
71L32.5Very low32.6Very low161 Ų161141.3 Ų141.384%0.84378%0.778SS**  trans-107129.5143.9-174.164.1000105.7
72K30.8Very low32.3Very low158 Ų158145.3 Ų145.369%0.68778%0.779SS**  trans108.1130.3139.5-147.394.2178.5-166.60119.5
73D33.9Very low31.7Very low110 Ų110145.8 Ų145.859%0.58877%0.774SS**  trans81.8113.3142.2-82.7-25.5000117
74T32.8Very low31.1Very low112 Ų112141.5 Ų141.569%0.68777%0.765SS**  42.3121.862.4107.60000113.2
75L32.7Very low30.6Very low168 Ų168136.6 Ų136.688%0.8876%0.757SS**  trans92.8100.4-177.7-50.2174.4000116.4
76G28Very low30.6Very low68 Ų68137.2 Ų137.270%0.70176%0.755SS**  78.2124.7108.800000120.4
77L30.5Very low30.5Very low184 Ų184142.8 Ų142.896%0.96376%0.758SS**  trans82.4118.4151.9-87.371000120
78G27Very low29.7Very low69 Ų69142.8 Ų142.871%0.71176%0.759SS**  122.488.711900000119.6
79K27.9Very low29Very low192 Ų192141.3 Ų141.384%0.83576%0.759SS**  60.8112.8126.5-69.7177.3176.8171.70121.4
80T26.7Very low28.3Very low118 Ų118138.7 Ų138.772%0.72476%0.762SS**  77.8119.9121.562.50000122.9
81K26.3Very low28.6Very low160 Ų160136.8 Ų136.870%0.69676%0.758SS**  72.7119.3123.2-82.8-172.1160.7168.50121.1
82R27.5Very low28.6Very low181 Ų181134.8 Ų134.868%0.68375%0.753SS**  99.4129.1112.7-86-176.7174.4-179-3.9119.6
83K26Very low28.4Very low170 Ų170133.3 Ų133.374%0.73976%0.76SS**  trans65.4144.9130.4-73.7-168.4163.7-167.70116.8
84T25.5Very low28.1Very low113 Ų113133 Ų13369%0.69377%0.766SS**  cis-173.7144.19.423.90000104.3
85S27.7Very low27.8Very low107 Ų107134.1 Ų134.175%0.74877%0.773SS**  172.2122.489.1-72.70000105.7
86A29.4Very low27.5Very low88 Ų88133.3 Ų133.373%0.72777%0.77SS**  58.6134.680.400000113.3
87R28.7Very low27.4Very low234 Ų234134.7 Ų134.788%0.88377%0.774SS**  cis-168.9147.4-2.5-94.7167.1178.3-175-4.3103.3
88D24.5Very low27Very low159 Ų159134.3 Ų134.385%0.8577%0.768SS**  174136.191.7-147.7-109.5000105
89A24.3Very low26.8Very low84 Ų84141.7 Ų141.769%0.69478%0.775SS**  cis-148.8154.630.500000111.7
90S23.4Very low26.8Very low118 Ų118137.8 Ų137.883%0.82577%0.77SS**  trans-134175.6164.9-58.10000105.7
91P35.4Very low26.8Very low118 Ų118138.4 Ų138.477%0.76678%0.779SS**  cis-141.3176.411.833.2-8.7000116.9
92T31.7Very low26.9Very low119 Ų119139 Ų13973%0.7379%0.79SS**  trans-53.4173.7170.453.80000115.6
93P26.4Very low26.7Very low128 Ų128133.3 Ų133.383%0.83179%0.788SS**  -140.7150.691.331.9-14000115.6
94S28.4Very low26.8Very low104 Ų104131.2 Ų131.273%0.72779%0.794SS**  trans-54.9156.9169-40.10000113.6
95T25.9Very low26.8Very low134 Ų134131.1 Ų131.182%0.82280%0.798SS**  -173.1120.1125.2-59.10000109.8
96D26.5Very low27Very low152 Ų152130.5 Ų130.581%0.81380%0.8SS**  trans24117.5137.5-139.4-108.6000120.8
97A26.3Very low27Very low96 Ų96133 Ų13379%0.79380%0.801SS**  trans-175.9152.5140.900000112.4
98E22Very low27.2Very low177 Ų177131.6 Ų131.683%0.82780%0.795SS**  trans-73.1155-162.4-67.4154.979.800118.4
99Y22.7Very low28Very low223 Ų223130.1 Ų130.188%0.87579%0.786SS**  trans11.1159.5157.9-77.2-89.9000123.5
100P28.6Very low28.7Very low111 Ų111135.6 Ų135.672%0.72179%0.79SS**  cis-126.3146.6-6.435.8-18.5000113.5
101S25.8Very low29.6Very low131 Ų131135.3 Ų135.392%0.91678%0.779SS**  trans-96.5109.1170-74.10000110.9
102N27.7Very low30.6Very low172 Ų172132.9 Ų132.992%0.9276%0.76SS**  trans-73.5130.8156.5-167.933000108.3
103G24.5Very low32.1Very low62 Ų62132.9 Ų132.964%0.63976%0.755SS**  trans138.9111.3163.600000115.9
104S28.6Very low34.1Very low126 Ų126128.7 Ų128.788%0.88173%0.726SS**  trans92.455.9152.5-52.50000118.1A106S104-A106 PolarHBondContact O-N 2.75Å
105S25.4Very low36.3Very low110 Ų110124.8 Ų124.877%0.76970%0.697SS**  trans-75.998.4142.3-55.30000108D107S105-D107 PolarHBondContact O-N 3.14Å
106A31.8Very low38.6Very low95 Ų95118.4 Ų118.479%0.78566%0.658SS**  trans-67.392.2160.300000107S104 R108S104-A106 PolarHBondContact O-N 2.75Å; A106-R108 PolarHBondContact O-N 2.98Å; A106-R108 VanDerWaalsContact O-N 3.13Å
107D27.9Very low40.9Very low139 Ų139116.2 Ų116.274%0.74364%0.64SS**  trans-55.9114.6-179.3-104.7-70.7000110.6S105 I109S105-D107 PolarHBondContact O-N 3.14Å; D107-I109 VanDerWaalsContact C-N 3.28Å; D107-I109 PolarHBondContact O-N 2.96Å
108R33.5Very low43Very low205 Ų205111.9 Ų111.977%0.77460%0.603SS**  trans-66.391.5166.7-66.4176.7-178.3169.81107.1A106 Y110A106-R108 PolarHBondContact O-N 2.98Å; A106-R108 VanDerWaalsContact O-N 3.13Å; R108-Y110 PolarHBondContact O-N 3.42Å
109I40.8Very low44.6Very low129 Ų129107 Ų10766%0.66258%0.579SS**THydrogen-bonded Turntrans-57107.5159.2-59.9-165.8000105.3D107D107-I109 VanDerWaalsContact C-N 3.28Å; D107-I109 PolarHBondContact O-N 2.96Å
110Y40Very low46.1Very low199 Ų199100 Ų10078%0.7855%0.553SS**THydrogen-bonded Turntrans153.11.1153-47.7-46.1000112.8R108 L112R108-Y110 PolarHBondContact O-N 3.42Å; Y110-L112 PolarHBondContact O-N 2.79Å
111D41.2Very low47.7Very low111 Ų11197.8 Ų97.859%0.59454%0.544SS*.  trans-93.982.8171.1-83.5-65.7000109.5
112L57.3Low49.3Very low68 Ų6892.6 Ų92.636%0.35651%0.505SS..  trans-72.6140.3162.2-63159.7000106.6Y110 I114 V140 M141 K143Y110-L112 PolarHBondContact O-N 2.79Å; L112-I114 HydrophobicContact CB-CD1 4.09Å; L112-I114 HydrophobicContact CB-CG1 4.21Å; L112-I114 HydrophobicContact CD1-CD1 4.44Å; L112-I114 HydrophobicContact CD2-CD1 3.67Å; L112-I114 HydrophobicContact CD2-CG1 4.33Å; L112-I114 HydrophobicContact CG-CD1 4.27Å; L112-V140 CarbonylContact C-O 3.5Å; L112-V140 VanDerWaalsContact C-O 3.24Å; L112-V140 VanDerWaalsContact O-O 3.11Å; L112-M141 WeakPolarHBondContact CB-O 3.49Å; L112-M141 PolarHBondContact N-O 2.83Å; L112-M141 VanDerWaalsContact O-CA 3.23Å; L112-M141 WeakPolarHBondContact O-CA 3.42Å; L112-K143 HydrophobicContact CD1-CD 4.33Å; L112-K143 HydrophobicContact CD1-CG 4.04Å
113N62.8Low50.9Low118 Ų11889.8 Ų89.863%0.63149%0.494SS*.  trans-129.751.4170.1-165.289000107.6P115 I139N113-P115 VanDerWaalsContact O-CD 3.3Å; N113-P115 WeakPolarHBondContact O-CD 3.03Å; N113-I139 HydrophobicContact CB-CG2 4.22Å; N113-I139 VanDerWaalsContact CG-CG2 3.48Å; N113-I139 VanDerWaalsContact OD1-CG2 3.27Å; N113-I139 WeakPolarHBondContact OD1-CG2 3.17Å
114I69.2Low52.7Low41 Ų4188.1 Ų88.121%0.2147%0.474CS..EExtended strand (participates in β ladder)trans-84.3116-170.9-60.1165.8000108.1L112 A116 I139 V140 E167L112-I114 HydrophobicContact CB-CD1 4.09Å; L112-I114 HydrophobicContact CB-CG1 4.21Å; L112-I114 HydrophobicContact CD1-CD1 4.44Å; L112-I114 HydrophobicContact CD2-CD1 3.67Å; L112-I114 HydrophobicContact CD2-CG1 4.33Å; L112-I114 HydrophobicContact CG-CD1 4.27Å; I114-A116 PolarHBondContact O-N 2.8Å; I114-I139 CarbonylContact O-C 3.5Å; I114-V140 HydrophobicContact CB-CB 4.3Å; I114-V140 PolarHBondContact N-O 3.42Å; I114-V140 PolarHBondContact O-N 3.47Å; I114-E167 WeakPolarHBondContact CD1-OE1 3.41Å; I114-E167 HydrophobicContact CG2-CB 4.15Å; I114-E167 HydrophobicContact CG2-CG 4.29Å; I114-E167 WeakPolarHBondContact CG2-OE1 3.39Å
115P74.1Confident53.5Low21 Ų2190.1 Ų90.114%0.13647%0.469CS..EExtended strand (participates in β ladder)trans-65.7133.9171.527.5-31.1000109.8N113 R137 I139 E168N113-P115 VanDerWaalsContact O-CD 3.3Å; N113-P115 WeakPolarHBondContact O-CD 3.03Å; P115-R137 HydrophobicContact CB-CG 4.49Å; P115-R137 VanDerWaalsContact CB-CZ 3.42Å; P115-I139 HydrophobicContact CB-CD1 4.09Å; P115-E168 HydrophobicContact CB-CB 4.27Å; P115-E168 HydrophobicContact CG-CB 4.16Å; P115-E168 WeakPolarHBondContact O-CB 3.3Å; P115-E168 PolarHBondContact O-N 3.22Å
116A74.3Confident54.6Low0 Ų089.8 Ų89.80%045%0.451CS..EExtended strand (participates in β ladder)trans-135.7146.3176.600000109.9I114 R137 V138 V140 V165 V166I114-A116 PolarHBondContact O-N 2.8Å; A116-R137 CarbonylContact O-C 3.52Å; A116-R137 WeakPolarHBondContact O-CA 3.05Å; A116-V138 HydrophobicContact CB-CG2 4.17Å; A116-V138 PolarHBondContact N-O 2.95Å; A116-V138 PolarHBondContact O-N 2.94Å; A116-V140 HydrophobicContact CB-CG2 3.68Å; A116-V165 HydrophobicContact CB-CB 4.03Å; A116-V165 HydrophobicContact CB-CG2 4.17Å; A116-V166 CarbonylContact C-O 3.4Å; A116-V166 WeakPolarHBondContact CA-O 3.41Å; A116-V166 WeakPolarHBondContact CB-O 3.45Å
117Y75.2Confident55.5Low107 Ų10795.1 Ų95.142%0.4246%0.46SS..EExtended strand (participates in β ladder)trans-96.9132.2175-71.1-74.9000110.8K119 R137 V165 V166 E168Y117-K119 PolarHBondContact O-N 3.2Å; Y117-R137 HydrophobicContact CD1-CB 4.45Å; Y117-R137 HydrophobicContact CE1-CB 4.29Å; Y117-R137 HydrophobicContact CE1-CG 4.39Å; Y117-V165 CarbonylContact O-C 3.47Å; Y117-V165 VanDerWaalsContact O-CA 3.24Å; Y117-V165 WeakPolarHBondContact O-CA 3.39Å; Y117-V166 PolarHBondContact N-O 3.14Å; Y117-V166 PolarHBondContact O-N 3.29Å; Y117-E168 HydrophobicContact CD2-CB 4.01Å; Y117-E168 HydrophobicContact CD2-CG 4.27Å; Y117-E168 HydrophobicContact CE2-CB 3.78Å; Y117-E168 HydrophobicContact CE2-CG 3.56Å; Y117-E168 WeakPolarHBondContact CE2-OE2 3.3Å; Y117-E168 PolarHBondContact OH-OE1 3.09Å; Y117-E168 PolarHBondContact OH-OE2 3.46Å
118V70.3Confident56.6Low4 Ų491.9 Ų91.92%0.02444%0.443CS..EExtended strand (participates in β ladder)trans-73.9112.6176.8179.70000109.8F120 L132 V133 G135 S136 V138 Y164 V165V118-F120 WeakPolarHBondContact CG1-O 3.44Å; V118-L132 HydrophobicContact CB-CB 4.36Å; V118-L132 HydrophobicContact CG1-CB 3.52Å; V118-L132 HydrophobicContact CG1-CD1 4.3Å; V118-L132 HydrophobicContact CG1-CG 4.5Å; V118-L132 HydrophobicContact CG2-CB 3.86Å; V118-L132 HydrophobicContact CG2-CD1 4.45Å; V118-L132 HydrophobicContact CG2-CD2 4.04Å; V118-L132 HydrophobicContact CG2-CG 4.36Å; V118-V133 VanDerWaalsContact CB-O 3.29Å; V118-V133 WeakPolarHBondContact CB-O 3.22Å; V118-V133 WeakPolarHBondContact CG1-O 3.34Å; V118-G135 PolarHBondContact O-N 3.05Å; V118-S136 WeakPolarHBondContact CG2-O 3.34Å; V118-S136 PolarHBondContact N-O 3.21Å; V118-V138 HydrophobicContact CG2-CG1 3.6Å; V118-V138 HydrophobicContact CG2-CG2 4.13Å; V118-Y164 CarbonylContact C-O 3.54Å; V118-Y164 WeakPolarHBondContact CA-O 3.44Å; V118-V165 HydrophobicContact CG2-CG1 4.14Å
119K54.8Low58.2Low74 Ų7483.4 Ų83.432%0.32241%0.412SS..SBendtrans-78.3-33.9176.5-172.4177.6173.6-174.40111.7Y117 K134 Y164 V166 D231Y117-K119 PolarHBondContact O-N 3.2Å; K119-K134 WeakPolarHBondContact O-CD 3.11Å; K119-K134 WeakPolarHBondContact O-CE 3.38Å; K119-K134 WeakPolarHBondContact O-CG 3.16Å; K119-Y164 PolarHBondContact N-O 2.78Å; K119-V166 HydrophobicContact CB-CG2 4.41Å; K119-V166 HydrophobicContact CD-CG2 4.2Å; K119-D231 IonicContact NZ-OD1 2.89Å; K119-D231 IonicContact NZ-OD2 3.8Å; K119-D231 PolarHBondContact NZ-OD2 2.85Å
120F55.2Low59.6Low77 Ų7777.4 Ų77.434%0.33838%0.381SS..SBendtrans-133.5135.6-176.3-57.9-70000110.6V118 Y122 Y164V118-F120 WeakPolarHBondContact CG1-O 3.44Å; F120-Y122 PolarHBondContact O-N 3.34Å; F120-Y164 HydrophobicContact CB-CD1 3.5Å; F120-Y164 VanDerWaalsContact CB-CD1 3.5Å; F120-Y164 HydrophobicContact CB-CE1 3.92Å; F120-Y164 HydrophobicContact CB-CG 4.15Å; F120-Y164 PolarHBondContact N-O 3.02Å
121A60.7Low61Low64 Ų6470.2 Ų70.253%0.52936%0.36SS..  trans-67133.4175.100000108.8L132 K134A121-L132 CarbonylContact C-O 3.54Å; A121-L132 VanDerWaalsContact CA-O 3.26Å; A121-L132 WeakPolarHBondContact CA-O 3.26Å; A121-K134 HydrophobicContact CB-CB 4.1Å
122Y59.2Low62.7Low22 Ų2265.1 Ų65.19%0.08633%0.333CS..BIsolated β-bridgetrans-125.3124.2177.6179.9-114.9000107.3F120 E129 L130 S131 L132 F160 P161 Y164F120-Y122 PolarHBondContact O-N 3.34Å; Y122-E129 HydrophobicContact CE1-CB 4.31Å; Y122-E129 PolarHBondContact OH-OE1 3.49Å; Y122-E129 PolarHBondContact OH-OE2 3.35Å; Y122-L130 WeakPolarHBondContact CD1-O 3.32Å; Y122-S131 CarbonylContact O-C 3.37Å; Y122-S131 WeakPolarHBondContact O-CA 3.24Å; Y122-L132 HydrophobicContact CD1-CG 4.43Å; Y122-L132 PolarHBondContact N-O 3.23Å; Y122-L132 PolarHBondContact O-N 2.88Å; Y122-L132 VanDerWaalsContact O-O 3.14Å; Y122-F160 HydrophobicContact CD1-CB 4.22Å; Y122-F160 HydrophobicContact CE1-CB 4.45Å; Y122-P161 HydrophobicContact CD2-CG 4.11Å; Y122-P161 HydrophobicContact CE2-CG 4.12Å; Y122-P161 HydrophobicContact CG-CG 4.35Å; Y122-Y164 HydrophobicContact CD2-CD1 4.34Å; Y122-Y164 HydrophobicContact CD2-CE1 4.07Å; Y122-Y164 HydrophobicContact CG-CD1 4.38Å
123V61.4Low63.4Low114 Ų11465.4 Ų65.469%0.69134%0.337SS*.  trans-94.2122.4173.1-178.40000105.9E125V123-E125 PolarHBondContact O-N 2.89Å
124A63Low63.5Low27 Ų2766.7 Ų66.722%0.22334%0.337CS..  trans-59.7120.7175.100000108.6E129 S131A124-E129 HydrophobicContact CB-CB 3.67Å; A124-E129 WeakPolarHBondContact CB-O 3.31Å; A124-S131 WeakPolarHBondContact CB-OG 3.29Å; A124-S131 PolarHBondContact N-OG 2.65Å
125E46Very low63Low168 Ų16867.5 Ų67.579%0.78536%0.356SS*.SBendtrans-90.2-13.8176.8-64.6-178.194.800110.4V123 E129V123-E125 PolarHBondContact O-N 2.89Å; E125-E129 PolarHBondContact N-OE2 2.99Å
126R48.1Very low62.9Low102 Ų10267.6 Ų67.639%0.38536%0.357SS..SBendtrans-127.9156.4-179.6-49.8172.266.3109.7-5.3112W11 D128 E129W11-R126 VanDerWaalsContact CZ2-NH2 3.32Å; R126-D128 VanDerWaalsContact CB-OD1 3.31Å; R126-D128 WeakPolarHBondContact CB-OD1 3.39Å; R126-D128 IonicContact NE-OD1 2.69Å; R126-D128 PolarHBondContact NE-OD1 2.66Å; R126-D128 PolarHBondContact O-N 3.42Å; R126-E129 HydrophobicContact CB-CB 4.38Å; R126-E129 HydrophobicContact CB-CG 3.94Å; R126-E129 WeakPolarHBondContact CD-OE1 3.4Å; R126-E129 HydrophobicContact CG-CG 4.36Å; R126-E129 PolarHBondContact N-OE2 3.12Å; R126-E129 PolarHBondContact O-N 2.79Å; R126-E129 VanDerWaalsContact O-N 3.13Å
127E50Low63Low207 Ų20773.6 Ų73.697%0.96738%0.38SS*.THydrogen-bonded Turntrans-68.5-17.9178.745.2-179.463.800114
128D52.4Low63.2Low72 Ų7268.5 Ų68.539%0.38536%0.36SS..THydrogen-bonded Turntrans-92.4-4.8173.460.6-66.3000113.9R126 G158 W159R126-D128 VanDerWaalsContact CB-OD1 3.31Å; R126-D128 WeakPolarHBondContact CB-OD1 3.39Å; R126-D128 IonicContact NE-OD1 2.69Å; R126-D128 PolarHBondContact NE-OD1 2.66Å; R126-D128 PolarHBondContact O-N 3.42Å; D128-G158 CarbonylContact O-C 3.57Å; D128-G158 VanDerWaalsContact O-CA 3.24Å; D128-G158 WeakPolarHBondContact O-CA 3.5Å; D128-W159 VanDerWaalsContact O-CD1 3.27Å; D128-W159 PolarHBondContact O-N 3.1Å
129E65.9Low63.5Low26 Ų2670 Ų7012%0.12137%0.367CS..BIsolated β-bridgetrans-95.4150.2-178.6-72.3171.1177.500112.5Y122 A124 E125 R126 W148 W159Y122-E129 HydrophobicContact CE1-CB 4.31Å; Y122-E129 PolarHBondContact OH-OE1 3.49Å; Y122-E129 PolarHBondContact OH-OE2 3.35Å; A124-E129 HydrophobicContact CB-CB 3.67Å; A124-E129 WeakPolarHBondContact CB-O 3.31Å; E125-E129 PolarHBondContact N-OE2 2.99Å; R126-E129 HydrophobicContact CB-CB 4.38Å; R126-E129 HydrophobicContact CB-CG 3.94Å; R126-E129 WeakPolarHBondContact CD-OE1 3.4Å; R126-E129 HydrophobicContact CG-CG 4.36Å; R126-E129 PolarHBondContact N-OE2 3.12Å; R126-E129 PolarHBondContact O-N 2.79Å; R126-E129 VanDerWaalsContact O-N 3.13Å; E129-W148 HydrophobicContact CG-CH2 4.43Å; E129-W148 HydrophobicContact CG-CZ3 4.03Å; E129-W148 VanDerWaalsContact OE1-CH2 3.32Å; E129-W148 WeakPolarHBondContact OE1-CH2 3.34Å; E129-W159 CarbonylContact C-O 3.59Å; E129-W159 WeakPolarHBondContact CA-O 3.39Å; E129-W159 WeakPolarHBondContact CB-O 3.31Å
130L70.4Confident64.5Low3 Ų366.4 Ų66.42%0.01635%0.351CS..PPolyproline II helixtrans-100.8122.3176.9-169.267.4000110.1Y122 L132 G151 Q156 W159 F160Y122-L130 WeakPolarHBondContact CD1-O 3.32Å; L130-L132 HydrophobicContact CD2-CD2 4.17Å; L130-L132 HydrophobicContact CG-CD2 4.45Å; L130-L132 PolarHBondContact O-N 3.08Å; L130-G151 WeakPolarHBondContact CD2-O 3.25Å; L130-Q156 HydrophobicContact CD1-CB 3.74Å; L130-Q156 VanDerWaalsContact CD1-O 3.3Å; L130-Q156 WeakPolarHBondContact CD1-O 3.08Å; L130-W159 PolarHBondContact N-O 3.13Å; L130-F160 HydrophobicContact CB-CD1 3.94Å; L130-F160 HydrophobicContact CD2-CD1 3.85Å; L130-F160 HydrophobicContact CD2-CE1 3.86Å
131S70.2Confident64.9Low49 Ų4964.8 Ų64.834%0.34335%0.345SS..PPolyproline II helixtrans-69.4125171.7-63.70000109.7Y122 A124Y122-S131 CarbonylContact O-C 3.37Å; Y122-S131 WeakPolarHBondContact O-CA 3.24Å; A124-S131 WeakPolarHBondContact CB-OG 3.29Å; A124-S131 PolarHBondContact N-OG 2.65Å
132L76Confident65.2Low3 Ų365.2 Ų65.22%0.01634%0.337CS..BIsolated β-bridgetrans-100.6132.6177.2-53.2177.9000110.1V118 A121 Y122 L130 V138 F160 V165V118-L132 HydrophobicContact CB-CB 4.36Å; V118-L132 HydrophobicContact CG1-CB 3.52Å; V118-L132 HydrophobicContact CG1-CD1 4.3Å; V118-L132 HydrophobicContact CG1-CG 4.5Å; V118-L132 HydrophobicContact CG2-CB 3.86Å; V118-L132 HydrophobicContact CG2-CD1 4.45Å; V118-L132 HydrophobicContact CG2-CD2 4.04Å; V118-L132 HydrophobicContact CG2-CG 4.36Å; A121-L132 CarbonylContact C-O 3.54Å; A121-L132 VanDerWaalsContact CA-O 3.26Å; A121-L132 WeakPolarHBondContact CA-O 3.26Å; Y122-L132 HydrophobicContact CD1-CG 4.43Å; Y122-L132 PolarHBondContact N-O 3.23Å; Y122-L132 PolarHBondContact O-N 2.88Å; Y122-L132 VanDerWaalsContact O-O 3.14Å; L130-L132 HydrophobicContact CD2-CD2 4.17Å; L130-L132 HydrophobicContact CG-CD2 4.45Å; L130-L132 PolarHBondContact O-N 3.08Å; L132-V138 HydrophobicContact CD2-CG1 3.87Å; L132-V138 HydrophobicContact CD2-CG2 4.48Å; L132-F160 HydrophobicContact CD1-CB 3.72Å; L132-F160 HydrophobicContact CD1-CD2 3.8Å; L132-F160 HydrophobicContact CD1-CG 3.83Å; L132-F160 HydrophobicContact CD2-CB 4.12Å; L132-F160 HydrophobicContact CD2-CD1 3.83Å; L132-F160 HydrophobicContact CD2-CD2 4.26Å; L132-F160 HydrophobicContact CD2-CE1 4.19Å; L132-F160 HydrophobicContact CD2-CG 3.82Å; L132-F160 HydrophobicContact CG-CB 3.94Å; L132-F160 HydrophobicContact CG-CG 4.13Å; L132-V165 HydrophobicContact CD1-CG1 3.71Å; L132-V165 HydrophobicContact CD2-CG1 4.5Å
133V71.9Confident65.3Low75 Ų7568 Ų6846%0.45535%0.349SS..PPolyproline II helixtrans-102.6121.3173.5178.50000108.4V118 G135 S136 Y153V118-V133 VanDerWaalsContact CB-O 3.29Å; V118-V133 WeakPolarHBondContact CB-O 3.22Å; V118-V133 WeakPolarHBondContact CG1-O 3.34Å; V133-G135 PolarHBondContact O-N 3.43Å; V133-S136 WeakPolarHBondContact CB-OG 3.45Å; V133-S136 WeakPolarHBondContact O-CB 3.35Å; V133-S136 PolarHBondContact O-N 3.32Å; V133-S136 PolarHBondContact O-OG 3.04Å; V133-Y153 HydrophobicContact CB-CE1 4.44Å; V133-Y153 HydrophobicContact CG2-CE1 4.05Å
134K66.1Low64.6Low144 Ų14464.7 Ų64.763%0.62633%0.331SS*.THydrogen-bonded Turntrans-49.1130.9178.4-177.9172.4-178.2176.60111.3K119 A121 S136K119-K134 WeakPolarHBondContact O-CD 3.11Å; K119-K134 WeakPolarHBondContact O-CE 3.38Å; K119-K134 WeakPolarHBondContact O-CG 3.16Å; A121-K134 HydrophobicContact CB-CB 4.1Å; K134-S136 VanDerWaalsContact C-N 3.28Å; K134-S136 PolarHBondContact O-N 2.87Å
135G58.4Low63.5Low59 Ų5970 Ų7061%0.60837%0.366SS*.THydrogen-bonded Turntrans81.5-1.4-177.700000114.8V118 V133V118-G135 PolarHBondContact O-N 3.05Å; V133-G135 PolarHBondContact O-N 3.43Å
136S71.8Confident63.3Low22 Ų2267 Ų6715%0.15436%0.356CS..  trans-83.7155.2175-64.90000112.4V118 V133 K134 Y153V118-S136 WeakPolarHBondContact CG2-O 3.34Å; V118-S136 PolarHBondContact N-O 3.21Å; V133-S136 WeakPolarHBondContact CB-OG 3.45Å; V133-S136 WeakPolarHBondContact O-CB 3.35Å; V133-S136 PolarHBondContact O-N 3.32Å; V133-S136 PolarHBondContact O-OG 3.04Å; K134-S136 VanDerWaalsContact C-N 3.28Å; K134-S136 PolarHBondContact O-N 2.87Å; S136-Y153 VanDerWaalsContact CB-CE2 3.41Å; S136-Y153 WeakPolarHBondContact CB-OH 3.42Å; S136-Y153 PolarHBondContact OG-OH 3.05Å
137R76.3Confident63.6Low127 Ų12763.6 Ų63.648%0.47935%0.352SS..EExtended strand (participates in β ladder)trans-94.3124.4174.4-167-178.7-166.9-134.69.3109.8P115 A116 Y117 Y153 E168P115-R137 HydrophobicContact CB-CG 4.49Å; P115-R137 VanDerWaalsContact CB-CZ 3.42Å; A116-R137 CarbonylContact O-C 3.52Å; A116-R137 WeakPolarHBondContact O-CA 3.05Å; Y117-R137 HydrophobicContact CD1-CB 4.45Å; Y117-R137 HydrophobicContact CE1-CB 4.29Å; Y117-R137 HydrophobicContact CE1-CG 4.39Å; R137-Y153 WeakPolarHBondContact O-CD2 3.38Å; R137-E168 IonicContact CZ-OE2 3.22Å; R137-E168 IonicContact NE-OE2 3.28Å; R137-E168 PolarHBondContact NE-OE2 2.88Å; R137-E168 IonicContact NH2-OE1 2.65Å; R137-E168 IonicContact NH2-OE2 3.34Å; R137-E168 PolarHBondContact NH2-OE2 3.28Å
138V79.3Confident64.2Low0 Ų057.8 Ų57.80%032%0.321CS..EExtended strand (participates in β ladder)trans-118.6152.2176.1-58.50000109.7A116 V118 L132 Y153 F160 V165A116-V138 HydrophobicContact CB-CG2 4.17Å; A116-V138 PolarHBondContact N-O 2.95Å; A116-V138 PolarHBondContact O-N 2.94Å; V118-V138 HydrophobicContact CG2-CG1 3.6Å; V118-V138 HydrophobicContact CG2-CG2 4.13Å; L132-V138 HydrophobicContact CD2-CG1 3.87Å; L132-V138 HydrophobicContact CD2-CG2 4.48Å; V138-Y153 HydrophobicContact CG1-CD2 3.68Å; V138-Y153 HydrophobicContact CG1-CG 3.83Å; V138-F160 HydrophobicContact CG2-CZ 4Å; V138-V165 HydrophobicContact CG2-CG1 3.85Å
139I76.8Confident65.2Low34 Ų3456 Ų5617%0.17431%0.309CS..EExtended strand (participates in β ladder)trans-103.8112.8178.2-56.8-56.3000108.4N113 I114 P115 M141 G151 S152N113-I139 HydrophobicContact CB-CG2 4.22Å; N113-I139 VanDerWaalsContact CG-CG2 3.48Å; N113-I139 VanDerWaalsContact OD1-CG2 3.27Å; N113-I139 WeakPolarHBondContact OD1-CG2 3.17Å; I114-I139 CarbonylContact O-C 3.5Å; P115-I139 HydrophobicContact CB-CD1 4.09Å; I139-M141 HydrophobicContact CG2-CG 4.48Å; I139-M141 PolarHBondContact O-N 2.93Å; I139-G151 CarbonylContact O-C 3.57Å; I139-G151 WeakPolarHBondContact O-CA 3.42Å; I139-S152 PolarHBondContact N-O 2.75Å; I139-S152 PolarHBondContact O-N 3.26Å
140V75.4Confident65.4Low0 Ų059 Ų590%032%0.32CS..EExtended strand (participates in β ladder)trans-76.4119.1175.8-176.20000108.8L112 I114 A116 K143 W149 F160L112-V140 CarbonylContact C-O 3.5Å; L112-V140 VanDerWaalsContact C-O 3.24Å; L112-V140 VanDerWaalsContact O-O 3.11Å; I114-V140 HydrophobicContact CB-CB 4.3Å; I114-V140 PolarHBondContact N-O 3.42Å; I114-V140 PolarHBondContact O-N 3.47Å; A116-V140 HydrophobicContact CB-CG2 3.68Å; V140-K143 HydrophobicContact CG1-CG 3.99Å; V140-W149 HydrophobicContact CB-CE3 4.35Å; V140-W149 HydrophobicContact CG1-CB 4.23Å; V140-W149 HydrophobicContact CG1-CD2 4.1Å; V140-W149 HydrophobicContact CG1-CE3 3.75Å; V140-W149 HydrophobicContact CG1-CG 4.33Å; V140-W149 HydrophobicContact CG1-CZ3 4.46Å; V140-W149 HydrophobicContact CG2-CE3 3.63Å; V140-W149 HydrophobicContact CG2-CZ3 4Å; V140-F160 HydrophobicContact CG2-CZ 4.11Å
141M64.3Low65.8Low43 Ų4358.9 Ų58.921%0.21232%0.319CS..EExtended strand (participates in β ladder)trans-101.8-35.3-177.8-60.4-176.679.300113.2L112 I139 R150 I157L112-M141 WeakPolarHBondContact CB-O 3.49Å; L112-M141 PolarHBondContact N-O 2.83Å; L112-M141 VanDerWaalsContact O-CA 3.23Å; L112-M141 WeakPolarHBondContact O-CA 3.42Å; I139-M141 HydrophobicContact CG2-CG 4.48Å; I139-M141 PolarHBondContact O-N 2.93Å; M141-R150 WeakPolarHBondContact CA-O 3.43Å; M141-R150 PolarHBondContact N-O 3.47Å; M141-I157 HydrophobicContact SD-CD1 4.48Å
142E66.3Low66Low73 Ų7358.1 Ų58.134%0.34131%0.313SS..EExtended strand (participates in β ladder)trans-143.7143.8-176.5-154.9176.915600110.4W149 R150 W159E142-W149 CarbonylContact O-C 3.6Å; E142-W149 VanDerWaalsContact O-CA 3.3Å; E142-W149 WeakPolarHBondContact O-CA 3.41Å; E142-R150 HydrophobicContact CB-CB 3.53Å; E142-R150 PolarHBondContact N-O 2.72Å; E142-R150 PolarHBondContact O-N 2.83Å; E142-R150 WeakPolarHBondContact OE2-CD 3.46Å; E142-R150 IonicContact OE2-NH1 2.61Å; E142-W159 HydrophobicContact CB-CH2 4.41Å; E142-W159 HydrophobicContact CG-CH2 4.34Å
143K61.3Low66.1Low79 Ų7960.2 Ų60.234%0.34332%0.321SS..EExtended strand (participates in β ladder)trans-123.9114.8176-62.9-174.9-177.6177.20109.7L112 V140 W149 E167L112-K143 HydrophobicContact CD1-CD 4.33Å; L112-K143 HydrophobicContact CD1-CG 4.04Å; V140-K143 HydrophobicContact CG1-CG 3.99Å; K143-W149 HydrophobicContact CB-CG 4.5Å; K143-W149 HydrophobicContact CD-CD2 4.36Å; K143-W149 HydrophobicContact CD-CZ2 3.92Å; K143-W149 HydrophobicContact CG-CD2 4Å; K143-W149 HydrophobicContact CG-CG 4.04Å; K143-W149 HydrophobicContact CG-CZ2 4.44Å; K143-E167 VanDerWaalsContact CE-OE1 3.26Å; K143-E167 WeakPolarHBondContact CE-OE1 3.16Å; K143-E167 IonicContact NZ-OE1 2.89Å; K143-E167 PolarHBondContact NZ-OE1 3.4Å; K143-E167 IonicContact NZ-OE2 3.7Å; K143-E167 PolarHBondContact NZ-OE2 3.27Å
144C46.8Very low65.9Low46 Ų4662.9 Ų62.931%0.31133%0.333SS..  trans-89.3144171.8-65.50000110.7D146 G147 W148 W159C144-D146 PolarHBondContact O-N 3.23Å; C144-G147 PolarHBondContact O-N 2.93Å; C144-W148 VanDerWaalsContact CB-O 3.29Å; C144-W148 WeakPolarHBondContact CB-O 3.3Å; C144-W148 PolarHBondContact N-O 2.79Å; C144-W159 HydrophobicContact CB-CZ3 4.48Å; C144-W159 VanDerWaalsContact SG-CH2 3.52Å; C144-W159 WeakPolarHBondContact SG-CZ3 3.37Å
145S39.4Very low65.7Low139 Ų13959.4 Ų59.497%0.97234%0.338SS*.THydrogen-bonded Turntrans-67.1-3.7175.355.90000114G147S145-G147 VanDerWaalsContact C-N 3.32Å
146D41.3Very low65.7Low105 Ų10562.9 Ų62.956%0.56134%0.339SS*.THydrogen-bonded Turntrans-88.63.9176.8-157.8-117.2000112.5C144C144-D146 PolarHBondContact O-N 3.23Å
147G54.7Low65.7Low30 Ų3066 Ų6631%0.30935%0.353SS..SBendtrans85.98.618000000114.7C144 S145 S162C144-G147 PolarHBondContact O-N 2.93Å; S145-G147 VanDerWaalsContact C-N 3.32Å; G147-S162 WeakPolarHBondContact O-CB 3.44Å; G147-S162 PolarHBondContact O-N 2.82Å; G147-S162 PolarHBondContact O-OG 2.92Å; G147-S162 VanDerWaalsContact O-OG 3.12Å
148W63Low65.3Low84 Ų8460.1 Ų60.132%0.31833%0.332SS..EExtended strand (participates in β ladder)trans-105.3129.4175.2-73.586.4000111E129 C144 W159E129-W148 HydrophobicContact CG-CH2 4.43Å; E129-W148 HydrophobicContact CG-CZ3 4.03Å; E129-W148 VanDerWaalsContact OE1-CH2 3.32Å; E129-W148 WeakPolarHBondContact OE1-CH2 3.34Å; C144-W148 VanDerWaalsContact CB-O 3.29Å; C144-W148 WeakPolarHBondContact CB-O 3.3Å; C144-W148 PolarHBondContact N-O 2.79Å; W148-W159 HydrophobicContact CB-CE3 4.26Å; W148-W159 HydrophobicContact CE3-CB 3.94Å; W148-W159 HydrophobicContact CZ3-CB 4.38Å
149W74.2Confident64.8Low34 Ų3463 Ų6313%0.12934%0.342CS..EExtended strand (participates in β ladder)trans-110.2141.4175.8-705.4000109.5V140 E142 K143 W159 F160 V165 E167V140-W149 HydrophobicContact CB-CE3 4.35Å; V140-W149 HydrophobicContact CG1-CB 4.23Å; V140-W149 HydrophobicContact CG1-CD2 4.1Å; V140-W149 HydrophobicContact CG1-CE3 3.75Å; V140-W149 HydrophobicContact CG1-CG 4.33Å; V140-W149 HydrophobicContact CG1-CZ3 4.46Å; V140-W149 HydrophobicContact CG2-CE3 3.63Å; V140-W149 HydrophobicContact CG2-CZ3 4Å; E142-W149 CarbonylContact O-C 3.6Å; E142-W149 VanDerWaalsContact O-CA 3.3Å; E142-W149 WeakPolarHBondContact O-CA 3.41Å; K143-W149 HydrophobicContact CB-CG 4.5Å; K143-W149 HydrophobicContact CD-CD2 4.36Å; K143-W149 HydrophobicContact CD-CZ2 3.92Å; K143-W149 HydrophobicContact CG-CD2 4Å; K143-W149 HydrophobicContact CG-CG 4.04Å; K143-W149 HydrophobicContact CG-CZ2 4.44Å; W149-W159 CarbonylContact O-C 3.53Å; W149-W159 WeakPolarHBondContact O-CA 3.06Å; W149-F160 HydrophobicContact CB-CD2 4.22Å; W149-F160 HydrophobicContact CB-CE2 3.8Å; W149-F160 HydrophobicContact CB-CZ 4.25Å; W149-F160 HydrophobicContact CE3-CE2 4.35Å; W149-F160 PolarHBondContact N-O 2.97Å; W149-F160 PolarHBondContact O-N 3.35Å; W149-F160 VanDerWaalsContact O-O 3.08Å; W149-V165 HydrophobicContact CE3-CG2 3.45Å; W149-V165 VanDerWaalsContact CE3-CG2 3.45Å; W149-V165 HydrophobicContact CZ3-CG2 3.47Å; W149-V165 VanDerWaalsContact CZ3-CG2 3.47Å; W149-E167 HydrophobicContact CH2-CG 3.69Å; W149-E167 WeakPolarHBondContact CH2-OE2 3.47Å; W149-E167 HydrophobicContact CZ3-CG 3.7Å
150R70.3Confident64.5Low91 Ų9161.4 Ų61.434%0.34333%0.334SS..EExtended strand (participates in β ladder)trans-96134.3170.1-157.9179.2177-142.4-5.8107.9M141 E142 I157 G158 W159M141-R150 WeakPolarHBondContact CA-O 3.43Å; M141-R150 PolarHBondContact N-O 3.47Å; E142-R150 HydrophobicContact CB-CB 3.53Å; E142-R150 PolarHBondContact N-O 2.72Å; E142-R150 PolarHBondContact O-N 2.83Å; E142-R150 WeakPolarHBondContact OE2-CD 3.46Å; E142-R150 IonicContact OE2-NH1 2.61Å; R150-I157 HydrophobicContact CG-CG2 4.16Å; R150-G158 WeakPolarHBondContact CA-O 3.45Å; R150-W159 HydrophobicContact CB-CD2 3.99Å; R150-W159 HydrophobicContact CB-CE3 3.67Å; R150-W159 HydrophobicContact CB-CH2 3.84Å; R150-W159 HydrophobicContact CB-CZ2 4.15Å; R150-W159 HydrophobicContact CB-CZ3 3.59Å; R150-W159 HydrophobicContact CG-CD2 4.04Å; R150-W159 HydrophobicContact CG-CE3 4.24Å; R150-W159 HydrophobicContact CG-CH2 4.32Å; R150-W159 HydrophobicContact CG-CZ2 4.13Å; R150-W159 HydrophobicContact CG-CZ3 4.38Å
151G77.9Confident63.8Low0 Ų062.3 Ų62.30%034%0.34CS..EExtended strand (participates in β ladder)trans-154.5178.7172.300000113.6L130 I139 I157 G158 F160L130-G151 WeakPolarHBondContact CD2-O 3.25Å; I139-G151 CarbonylContact O-C 3.57Å; I139-G151 WeakPolarHBondContact O-CA 3.42Å; G151-I157 WeakPolarHBondContact O-CA 2.83Å; G151-G158 PolarHBondContact N-O 3.45Å; G151-G158 PolarHBondContact O-N 3.33Å; G151-G158 VanDerWaalsContact O-N 3.07Å; G151-F160 VanDerWaalsContact N-CE1 3.35Å
152S75.3Confident63.8Low33 Ų3361.3 Ų61.323%0.23134%0.338CS..EExtended strand (participates in β ladder)trans-116.9131.2-175.7176.60000110.6I139 Q156I139-S152 PolarHBondContact N-O 2.75Å; I139-S152 PolarHBondContact O-N 3.26Å; S152-Q156 CarbonylContact C-O 3.54Å; S152-Q156 VanDerWaalsContact CA-O 3.3Å; S152-Q156 WeakPolarHBondContact CA-O 3.44Å
153Y78.4Confident63.5Low46 Ų4662.9 Ų62.918%0.1835%0.348CS..EExtended strand (participates in β ladder)trans-143.2126.2175.4-178.3-119.1000109.9V133 S136 R137 V138 G155 Q156V133-Y153 HydrophobicContact CB-CE1 4.44Å; V133-Y153 HydrophobicContact CG2-CE1 4.05Å; S136-Y153 VanDerWaalsContact CB-CE2 3.41Å; S136-Y153 WeakPolarHBondContact CB-OH 3.42Å; S136-Y153 PolarHBondContact OG-OH 3.05Å; R137-Y153 WeakPolarHBondContact O-CD2 3.38Å; V138-Y153 HydrophobicContact CG1-CD2 3.68Å; V138-Y153 HydrophobicContact CG1-CG 3.83Å; Y153-G155 PolarHBondContact O-N 3.16Å; Y153-G155 VanDerWaalsContact O-N 3.11Å; Y153-Q156 PolarHBondContact N-O 2.67Å; Y153-Q156 PolarHBondContact O-N 2.84Å
154N67.3Low63.4Low132 Ų13263.1 Ų63.171%0.70635%0.347SS*.THydrogen-bonded Turntrans49.435.7-177.8-79.6-37.9000114.6Q156N154-Q156 VanDerWaalsContact C-N 3.25Å; N154-Q156 PolarHBondContact O-N 2.91Å
155G62.2Low64.6Low71 Ų7161.3 Ų61.373%0.73234%0.335SS*.THydrogen-bonded Turntrans790.9-179.800000115Y153Y153-G155 PolarHBondContact O-N 3.16Å; Y153-G155 VanDerWaalsContact O-N 3.11Å
156Q57.3Low66Low132 Ų13258.6 Ų58.662%0.61731%0.313SS*.EExtended strand (participates in β ladder)trans-96.7138.1171.3-66.5174.953.900109.4L130 S152 Y153 N154L130-Q156 HydrophobicContact CD1-CB 3.74Å; L130-Q156 VanDerWaalsContact CD1-O 3.3Å; L130-Q156 WeakPolarHBondContact CD1-O 3.08Å; S152-Q156 CarbonylContact C-O 3.54Å; S152-Q156 VanDerWaalsContact CA-O 3.3Å; S152-Q156 WeakPolarHBondContact CA-O 3.44Å; Y153-Q156 PolarHBondContact N-O 2.67Å; Y153-Q156 PolarHBondContact O-N 2.84Å; N154-Q156 VanDerWaalsContact C-N 3.25Å; N154-Q156 PolarHBondContact O-N 2.91Å
157I72.6Confident67.5Low88 Ų8856.6 Ų56.645%0.45130%0.3SS..EExtended strand (participates in β ladder)trans-117.3129.1179.4-59167.1000107.6M141 R150 G151M141-I157 HydrophobicContact SD-CD1 4.48Å; R150-I157 HydrophobicContact CG-CG2 4.16Å; G151-I157 WeakPolarHBondContact O-CA 2.83Å
158G67.1Low68.2Low3 Ų357.7 Ų57.73%0.03130%0.297CS..EExtended strand (participates in β ladder)trans-164.8174.7178.600000112.3D128 R150 G151D128-G158 CarbonylContact O-C 3.57Å; D128-G158 VanDerWaalsContact O-CA 3.24Å; D128-G158 WeakPolarHBondContact O-CA 3.5Å; R150-G158 WeakPolarHBondContact CA-O 3.45Å; G151-G158 PolarHBondContact N-O 3.45Å; G151-G158 PolarHBondContact O-N 3.33Å; G151-G158 VanDerWaalsContact O-N 3.07Å
159W69.4Low67.6Low60 Ų6059.7 Ų59.723%0.22732%0.318CS..EExtended strand (participates in β ladder)trans-87.1139.9178.4-62.598.8000111D128 E129 L130 E142 C144 W148 W149 R150D128-W159 VanDerWaalsContact O-CD1 3.27Å; D128-W159 PolarHBondContact O-N 3.1Å; E129-W159 CarbonylContact C-O 3.59Å; E129-W159 WeakPolarHBondContact CA-O 3.39Å; E129-W159 WeakPolarHBondContact CB-O 3.31Å; L130-W159 PolarHBondContact N-O 3.13Å; E142-W159 HydrophobicContact CB-CH2 4.41Å; E142-W159 HydrophobicContact CG-CH2 4.34Å; C144-W159 HydrophobicContact CB-CZ3 4.48Å; C144-W159 VanDerWaalsContact SG-CH2 3.52Å; C144-W159 WeakPolarHBondContact SG-CZ3 3.37Å; W148-W159 HydrophobicContact CB-CE3 4.26Å; W148-W159 HydrophobicContact CE3-CB 3.94Å; W148-W159 HydrophobicContact CZ3-CB 4.38Å; W149-W159 CarbonylContact O-C 3.53Å; W149-W159 WeakPolarHBondContact O-CA 3.06Å; R150-W159 HydrophobicContact CB-CD2 3.99Å; R150-W159 HydrophobicContact CB-CE3 3.67Å; R150-W159 HydrophobicContact CB-CH2 3.84Å; R150-W159 HydrophobicContact CB-CZ2 4.15Å; R150-W159 HydrophobicContact CB-CZ3 3.59Å; R150-W159 HydrophobicContact CG-CD2 4.04Å; R150-W159 HydrophobicContact CG-CE3 4.24Å; R150-W159 HydrophobicContact CG-CH2 4.32Å; R150-W159 HydrophobicContact CG-CZ2 4.13Å; R150-W159 HydrophobicContact CG-CZ3 4.38Å
160F69.8Low65.8Low0 Ų066.4 Ų66.40%035%0.351CS..EExtended strand (participates in β ladder)trans-144.8150.4173.755.1-97.3000110Y122 L130 L132 V138 V140 W149 G151 S162 V165Y122-F160 HydrophobicContact CD1-CB 4.22Å; Y122-F160 HydrophobicContact CE1-CB 4.45Å; L130-F160 HydrophobicContact CB-CD1 3.94Å; L130-F160 HydrophobicContact CD2-CD1 3.85Å; L130-F160 HydrophobicContact CD2-CE1 3.86Å; L132-F160 HydrophobicContact CD1-CB 3.72Å; L132-F160 HydrophobicContact CD1-CD2 3.8Å; L132-F160 HydrophobicContact CD1-CG 3.83Å; L132-F160 HydrophobicContact CD2-CB 4.12Å; L132-F160 HydrophobicContact CD2-CD1 3.83Å; L132-F160 HydrophobicContact CD2-CD2 4.26Å; L132-F160 HydrophobicContact CD2-CE1 4.19Å; L132-F160 HydrophobicContact CD2-CG 3.82Å; L132-F160 HydrophobicContact CG-CB 3.94Å; L132-F160 HydrophobicContact CG-CG 4.13Å; V138-F160 HydrophobicContact CG2-CZ 4Å; V140-F160 HydrophobicContact CG2-CZ 4.11Å; W149-F160 HydrophobicContact CB-CD2 4.22Å; W149-F160 HydrophobicContact CB-CE2 3.8Å; W149-F160 HydrophobicContact CB-CZ 4.25Å; W149-F160 HydrophobicContact CE3-CE2 4.35Å; W149-F160 PolarHBondContact N-O 2.97Å; W149-F160 PolarHBondContact O-N 3.35Å; W149-F160 VanDerWaalsContact O-O 3.08Å; G151-F160 VanDerWaalsContact N-CE1 3.35Å; F160-S162 PolarHBondContact O-N 3.46Å; F160-V165 HydrophobicContact CD2-CG1 3.92Å; F160-V165 HydrophobicContact CD2-CG2 4.33Å; F160-V165 HydrophobicContact CE2-CB 4.25Å; F160-V165 HydrophobicContact CE2-CG1 3.57Å; F160-V165 HydrophobicContact CE2-CG2 3.61Å; F160-V165 HydrophobicContact CZ-CG1 4.31Å
161P61.5Low64Low19 Ų1971 Ų7112%0.12338%0.376CS..EExtended strand (participates in β ladder)trans-62133177.322.4-33000111.2Y122 N163 Y164Y122-P161 HydrophobicContact CD2-CG 4.11Å; Y122-P161 HydrophobicContact CE2-CG 4.12Å; Y122-P161 HydrophobicContact CG-CG 4.35Å; P161-N163 PolarHBondContact O-N 2.79Å; P161-N163 VanDerWaalsContact O-N 3.16Å; P161-Y164 HydrophobicContact CB-CD2 3.68Å; P161-Y164 HydrophobicContact CB-CE2 4.01Å; P161-Y164 HydrophobicContact CG-CD1 4.48Å; P161-Y164 HydrophobicContact CG-CD2 3.28Å; P161-Y164 HydrophobicContact CG-CE2 3.59Å; P161-Y164 HydrophobicContact CG-CG 3.79Å; P161-Y164 PolarHBondContact O-N 2.8Å; P161-Y164 VanDerWaalsContact O-N 3.14Å
162S63.5Low61.9Low23 Ų2375.1 Ų75.116%0.16141%0.41CS..G310 helixtrans-59.8-29.3-178.162.10000113.2G147 F160 Y164 V165G147-S162 WeakPolarHBondContact O-CB 3.44Å; G147-S162 PolarHBondContact O-N 2.82Å; G147-S162 PolarHBondContact O-OG 2.92Å; G147-S162 VanDerWaalsContact O-OG 3.12Å; F160-S162 PolarHBondContact O-N 3.46Å; S162-Y164 PolarHBondContact O-N 3.09Å; S162-Y164 VanDerWaalsContact O-N 3.13Å; S162-V165 PolarHBondContact O-N 2.85Å
163N60.5Low59.9Low105 Ų10580 Ų8056%0.56144%0.439SS*.G310 helixtrans-68.4-9.5-178.6-65-14.4000113.8P161P161-N163 PolarHBondContact O-N 2.79Å; P161-N163 VanDerWaalsContact O-N 3.16Å
164Y60Low57.8Low84 Ų8482.5 Ų82.533%0.32947%0.469SS..G310 helixtrans-96.1-5.5-176.1-74.9-118000112.5V118 K119 F120 Y122 P161 S162V118-Y164 CarbonylContact C-O 3.54Å; V118-Y164 WeakPolarHBondContact CA-O 3.44Å; K119-Y164 PolarHBondContact N-O 2.78Å; F120-Y164 HydrophobicContact CB-CD1 3.5Å; F120-Y164 VanDerWaalsContact CB-CD1 3.5Å; F120-Y164 HydrophobicContact CB-CE1 3.92Å; F120-Y164 HydrophobicContact CB-CG 4.15Å; F120-Y164 PolarHBondContact N-O 3.02Å; Y122-Y164 HydrophobicContact CD2-CD1 4.34Å; Y122-Y164 HydrophobicContact CD2-CE1 4.07Å; Y122-Y164 HydrophobicContact CG-CD1 4.38Å; P161-Y164 HydrophobicContact CB-CD2 3.68Å; P161-Y164 HydrophobicContact CB-CE2 4.01Å; P161-Y164 HydrophobicContact CG-CD1 4.48Å; P161-Y164 HydrophobicContact CG-CD2 3.28Å; P161-Y164 HydrophobicContact CG-CE2 3.59Å; P161-Y164 HydrophobicContact CG-CG 3.79Å; P161-Y164 PolarHBondContact O-N 2.8Å; P161-Y164 VanDerWaalsContact O-N 3.14Å; S162-Y164 PolarHBondContact O-N 3.09Å; S162-Y164 VanDerWaalsContact O-N 3.13Å
165V71Confident55.9Low9 Ų983.4 Ų83.46%0.05547%0.474CS..EExtended strand (participates in β ladder)trans-130.8150.1-180-55.20000111.2A116 Y117 V118 L132 V138 W149 F160 S162A116-V165 HydrophobicContact CB-CB 4.03Å; A116-V165 HydrophobicContact CB-CG2 4.17Å; Y117-V165 CarbonylContact O-C 3.47Å; Y117-V165 VanDerWaalsContact O-CA 3.24Å; Y117-V165 WeakPolarHBondContact O-CA 3.39Å; V118-V165 HydrophobicContact CG2-CG1 4.14Å; L132-V165 HydrophobicContact CD1-CG1 3.71Å; L132-V165 HydrophobicContact CD2-CG1 4.5Å; V138-V165 HydrophobicContact CG2-CG1 3.85Å; W149-V165 HydrophobicContact CE3-CG2 3.45Å; W149-V165 VanDerWaalsContact CE3-CG2 3.45Å; W149-V165 HydrophobicContact CZ3-CG2 3.47Å; W149-V165 VanDerWaalsContact CZ3-CG2 3.47Å; F160-V165 HydrophobicContact CD2-CG1 3.92Å; F160-V165 HydrophobicContact CD2-CG2 4.33Å; F160-V165 HydrophobicContact CE2-CB 4.25Å; F160-V165 HydrophobicContact CE2-CG1 3.57Å; F160-V165 HydrophobicContact CE2-CG2 3.61Å; F160-V165 HydrophobicContact CZ-CG1 4.31Å; S162-V165 PolarHBondContact O-N 2.85Å
166V68.6Low54.6Low82 Ų8285 Ų8550%0.49747%0.474SS..EExtended strand (participates in β ladder)trans-119.3128.9172.7176.10000107.6A116 Y117 K119 E168A116-V166 CarbonylContact C-O 3.4Å; A116-V166 WeakPolarHBondContact CA-O 3.41Å; A116-V166 WeakPolarHBondContact CB-O 3.45Å; Y117-V166 PolarHBondContact N-O 3.14Å; Y117-V166 PolarHBondContact O-N 3.29Å; K119-V166 HydrophobicContact CB-CG2 4.41Å; K119-V166 HydrophobicContact CD-CG2 4.2Å; V166-E168 PolarHBondContact O-N 3.45Å
167E74.1Confident54Low63 Ų6383.7 Ų83.729%0.29448%0.477SS..EExtended strand (participates in β ladder)trans-67.4133179.7-55.9-171.884.700110.4I114 K143 W149 V169I114-E167 WeakPolarHBondContact CD1-OE1 3.41Å; I114-E167 HydrophobicContact CG2-CB 4.15Å; I114-E167 HydrophobicContact CG2-CG 4.29Å; I114-E167 WeakPolarHBondContact CG2-OE1 3.39Å; K143-E167 VanDerWaalsContact CE-OE1 3.26Å; K143-E167 WeakPolarHBondContact CE-OE1 3.16Å; K143-E167 IonicContact NZ-OE1 2.89Å; K143-E167 PolarHBondContact NZ-OE1 3.4Å; K143-E167 IonicContact NZ-OE2 3.7Å; K143-E167 PolarHBondContact NZ-OE2 3.27Å; W149-E167 HydrophobicContact CH2-CG 3.69Å; W149-E167 WeakPolarHBondContact CH2-OE2 3.47Å; W149-E167 HydrophobicContact CZ3-CG 3.7Å; E167-V169 PolarHBondContact O-N 3.21Å; E167-V169 VanDerWaalsContact O-N 3.09Å
168E68.1Low52.3Low53 Ų5384.5 Ų84.525%0.24849%0.491CS..  trans-77.793.3173.5-174.5179.517800107.3P115 Y117 R137 V166 E170P115-E168 HydrophobicContact CB-CB 4.27Å; P115-E168 HydrophobicContact CG-CB 4.16Å; P115-E168 WeakPolarHBondContact O-CB 3.3Å; P115-E168 PolarHBondContact O-N 3.22Å; Y117-E168 HydrophobicContact CD2-CB 4.01Å; Y117-E168 HydrophobicContact CD2-CG 4.27Å; Y117-E168 HydrophobicContact CE2-CB 3.78Å; Y117-E168 HydrophobicContact CE2-CG 3.56Å; Y117-E168 WeakPolarHBondContact CE2-OE2 3.3Å; Y117-E168 PolarHBondContact OH-OE1 3.09Å; Y117-E168 PolarHBondContact OH-OE2 3.46Å; R137-E168 IonicContact CZ-OE2 3.22Å; R137-E168 IonicContact NE-OE2 3.28Å; R137-E168 PolarHBondContact NE-OE2 2.88Å; R137-E168 IonicContact NH2-OE1 2.65Å; R137-E168 IonicContact NH2-OE2 3.34Å; R137-E168 PolarHBondContact NH2-OE2 3.28Å; V166-E168 PolarHBondContact O-N 3.45Å; E168-E170 PolarHBondContact O-N 3.17Å
169V50Low50.5Low126 Ų12693 Ų9376%0.76453%0.527SS*.  trans-73.5108.6164.5-91.50000107.5E167 E171E167-V169 PolarHBondContact O-N 3.21Å; E167-V169 VanDerWaalsContact O-N 3.09Å; V169-E171 VanDerWaalsContact C-N 3.29Å; V169-E171 PolarHBondContact O-N 3.4Å
170E38Very low48.9Very low175 Ų17596.4 Ų96.482%0.81855%0.549SS*.  trans-63.990170-87.2-178.799.300109.3E168 A172E168-E170 PolarHBondContact O-N 3.17Å; E170-A172 PolarHBondContact O-N 3.13Å
171E32Very low46.9Very low187 Ų187101.7 Ų101.787%0.87459%0.586SS**  trans-78.5106.3154.7-83.8-163.19600108.1V169 T173V169-E171 VanDerWaalsContact C-N 3.29Å; V169-E171 PolarHBondContact O-N 3.4Å; E171-T173 PolarHBondContact O-N 2.9Å
172A34.1Very low45.5Very low87 Ų87108.8 Ų108.872%0.71962%0.622SS**  trans-66125.5171.100000110.4E170E170-A172 PolarHBondContact O-N 3.13Å
173T32.9Very low44Very low134 Ų134119.5 Ų119.582%0.82266%0.659SS**  trans98.210915372.50000119.8E171E171-T173 PolarHBondContact O-N 2.9Å
174A33.4Very low42.5Very low100 Ų100124.3 Ų124.383%0.82668%0.675SS**  trans49.4127.1139.700000118.7
175D27.3Very low41Very low150 Ų150123.9 Ų123.980%0.80270%0.696SS**  cis-165.1146.441.3-175.6-106.3000108.8
176S36.4Very low38.8Very low105 Ų105128.4 Ų128.473%0.73473%0.734SS**  trans-126.2151.3167.7-71.70000105.9
177P44.5Very low36.9Very low105 Ų105129.5 Ų129.568%0.68275%0.746SS**  -157.4151.980.939.2-18.3000118.6
178S36Very low34.7Very low105 Ų105134.1 Ų134.173%0.73477%0.769SS**  trans71.3147.3134.261.10000119.8
179F30Very low32.9Very low180 Ų180136.6 Ų136.679%0.78979%0.792SS**  cis-161.716221.7-159.5-104.8000112.1
180L34.3Very low31.7Very low132 Ų132138.4 Ų138.469%0.69180%0.798SS**  trans-56.1148.5-178-54.8158.8000116.6
181S28.5Very low31.5Very low112 Ų112133.7 Ų133.778%0.78380%0.796SS**  165131.2109.8-81.20000115.6
182L32.7Very low31.4Very low167 Ų167133.7 Ų133.787%0.87480%0.796SS**  trans-34130.6160.2-158.173.3000115.3
183R31.6Very low31.4Very low249 Ų249133.1 Ų133.194%0.9480%0.799SS**  trans-139.8136.8149.7-70-162.7-176.7-136.90.4111.7
184K28.3Very low31.8Very low205 Ų205131.5 Ų131.589%0.89179%0.789SS**  trans-91.7134.6-170.7-176.2155.6179.91690110.8
185G28.8Very low32.5Very low75 Ų75134.8 Ų134.877%0.77378%0.784SS**  trans63.7107.6148.300000119.3
186A25.5Very low33.8Very low104 Ų104129.7 Ų129.786%0.8676%0.759SS**  trans-168.5128.9132.100000109.7
187S28.8Very low34.8Very low106 Ų106127.3 Ų127.374%0.74174%0.738SS**  trans-52.9132.3168-175.40000111.5
188M26.9Very low35.8Very low159 Ų159123.9 Ų123.978%0.78371%0.712SS**  170.2124.1115.3-88-68.8-163.400109.9
189S30.8Very low37.3Very low105 Ų105120.2 Ų120.273%0.73469%0.686SS**  trans48101144.762.20000118.4
190N25.4Very low38.9Very low165 Ų165111.7 Ų111.788%0.88265%0.648SS**  -145.8128.2121.7-141.911.3000109.9Q192N190-Q192 PolarHBondContact O-N 3.28Å
191G32.7Very low40Very low76 Ų76108.9 Ų108.978%0.78463%0.631SS**  trans-61.7119.5-171.700000112.2
192Q30.1Very low41.5Very low187 Ų187103.6 Ų103.687%0.87460%0.595SS**  trans-126.8105.6155.2-75.5-175.4-21.200105.8N190 T194N190-Q192 PolarHBondContact O-N 3.28Å; Q192-T194 PolarHBondContact O-N 3.45Å
193G34Very low42Very low75 Ų7599 Ų9977%0.77357%0.571SS**  trans-53.3125.8176.800000109.2K195G193-K195 VanDerWaalsContact C-N 3.3Å; G193-K195 PolarHBondContact O-N 2.92Å
194T41.4Very low42.6Very low100 Ų10093.4 Ų93.461%0.61355%0.55SS**  trans-5998.5169.2490000106.9Q192 V196Q192-T194 PolarHBondContact O-N 3.45Å; T194-V196 VanDerWaalsContact C-N 3.31Å; T194-V196 PolarHBondContact O-N 2.85Å
195K48.1Very low43.3Very low168 Ų16887.8 Ų87.873%0.7353%0.534SS*.  trans-70.995.4177.9-165.9-177.6-177.5-169.90106.3G193 L197G193-K195 VanDerWaalsContact C-N 3.3Å; G193-K195 PolarHBondContact O-N 2.92Å; K195-L197 PolarHBondContact O-N 2.85Å; K195-L197 VanDerWaalsContact O-N 3.08Å
196V54.7Low44.5Very low44 Ų4486 Ų8627%0.26751%0.506SS..  trans-60.2112.8171.1176.90000106.3T194 V199 E223T194-V196 VanDerWaalsContact C-N 3.31Å; T194-V196 PolarHBondContact O-N 2.85Å; V196-V199 HydrophobicContact CG1-CG2 4.46Å; V196-E223 HydrophobicContact CG1-CB 3.97Å; V196-E223 HydrophobicContact CG1-CG 4.17Å; V196-E223 WeakPolarHBondContact CG2-OE1 3.49Å
197L58.3Low45.4Very low55 Ų5586.5 Ų86.529%0.28850%0.503SS..  trans-78-50.2-178-66.1170000109.1K195 V224 I225K195-L197 PolarHBondContact O-N 2.85Å; K195-L197 VanDerWaalsContact O-N 3.08Å; L197-V224 WeakPolarHBondContact CB-O 3.46Å; L197-V224 PolarHBondContact N-O 2.99Å; L197-I225 WeakPolarHBondContact CD1-O 3.18Å
198H64.9Low46.5Very low32 Ų3282.8 Ų82.815%0.14848%0.477CS..EExtended strand (participates in β ladder)trans-148.5153.8-177.4-56.569.8000109.8E223 V224 K227 I254 D257H198-E223 CarbonylContact O-C 3.58Å; H198-V224 HydrophobicContact CB-CB 4.07Å; H198-V224 HydrophobicContact CB-CG2 4.09Å; H198-V224 PolarHBondContact N-O 2.71Å; H198-V224 WeakPolarHBondContact O-CB 3.43Å; H198-V224 PolarHBondContact O-N 3.11Å; H198-K227 PolarHBondContact CE1-NZ 2.82Å; H198-K227 PolarHBondContact NE2-NZ 2.92Å; H198-I254 HydrophobicContact CB-CG1 4.41Å; H198-I254 HydrophobicContact CB-CG2 4.08Å; H198-D257 IonicContact CD2-OD2 3.99Å; H198-D257 PolarHBondContact CD2-OD2 2.75Å; H198-D257 IonicContact NE2-OD2 3.03Å; H198-D257 PolarHBondContact NE2-OD2 2.79Å
199V68.3Low47.3Very low29 Ų2982.4 Ų82.418%0.17648%0.483CS..EExtended strand (participates in β ladder)trans-101.3130.1164.9-173.20000107.4V196 T221 M222 I254 I255 S256V196-V199 HydrophobicContact CG1-CG2 4.46Å; V199-T221 HydrophobicContact CG1-CG2 3.29Å; V199-M222 CarbonylContact C-O 3.44Å; V199-M222 WeakPolarHBondContact CA-O 3.36Å; V199-I254 CarbonylContact O-C 3.5Å; V199-I254 WeakPolarHBondContact O-CA 3.36Å; V199-I255 HydrophobicContact CB-CG1 4.05Å; V199-I255 HydrophobicContact CG1-CD1 3.87Å; V199-I255 HydrophobicContact CG1-CG1 3.71Å; V199-I255 WeakPolarHBondContact O-CG1 3.29Å; V199-I255 PolarHBondContact O-N 2.88Å; V199-S256 PolarHBondContact N-O 3.03Å; V199-S256 PolarHBondContact O-N 3.4Å
200V62.3Low48Very low0 Ų080.4 Ų80.40%047%0.466CS..EExtended strand (participates in β ladder)trans-123.7151-179.5-59.20000111.3T221 M222 V224 W235 V252 V253 I254V200-T221 CarbonylContact O-C 3.46Å; V200-T221 WeakPolarHBondContact O-CA 3.09Å; V200-M222 HydrophobicContact CG2-CG 3.29Å; V200-M222 HydrophobicContact CG2-SD 3.99Å; V200-M222 PolarHBondContact N-O 2.97Å; V200-M222 PolarHBondContact O-N 3.25Å; V200-V224 HydrophobicContact CB-CG2 4.3Å; V200-V224 HydrophobicContact CG1-CG2 3.41Å; V200-V224 VanDerWaalsContact CG1-CG2 3.41Å; V200-V224 HydrophobicContact CG2-CG2 3.89Å; V200-W235 HydrophobicContact CG1-CE3 4.16Å; V200-W235 HydrophobicContact CG1-CZ3 3.86Å; V200-V252 HydrophobicContact CB-CB 4Å; V200-V252 HydrophobicContact CB-CG2 4.38Å; V200-V252 HydrophobicContact CG2-CB 3.91Å; V200-V252 HydrophobicContact CG2-CG1 4.05Å; V200-V252 HydrophobicContact CG2-CG2 4.22Å; V200-V253 CarbonylContact C-O 3.52Å; V200-V253 WeakPolarHBondContact CA-O 3.02Å; V200-V253 WeakPolarHBondContact CB-O 2.88Å; V200-I254 HydrophobicContact CG1-CB 4.22Å; V200-I254 HydrophobicContact CG1-CG1 3.6Å
201Q58.1Low49.1Very low73 Ų7381.9 Ų81.934%0.34147%0.468SS..EExtended strand (participates in β ladder)trans-113139173.5-177.4173.251.500110G219 E220 V252 V253 I255Q201-G219 PolarHBondContact NE2-O 2.8Å; Q201-G219 VanDerWaalsContact NE2-O 3.15Å; Q201-E220 CarbonylContact C-O 3.56Å; Q201-E220 WeakPolarHBondContact CA-O 3.28Å; Q201-V252 CarbonylContact O-C 3.59Å; Q201-V252 VanDerWaalsContact O-CA 3.26Å; Q201-V252 WeakPolarHBondContact O-CA 3.45Å; Q201-V253 HydrophobicContact CB-CG1 4Å; Q201-V253 PolarHBondContact N-O 3.07Å; Q201-V253 WeakPolarHBondContact O-CG1 3.49Å; Q201-V253 PolarHBondContact O-N 3.23Å; Q201-I255 HydrophobicContact CB-CD1 4.28Å; Q201-I255 HydrophobicContact CB-CG2 3.66Å
202T60.9Low50.1Low2 Ų284.5 Ų84.51%0.01246%0.46CS..EExtended strand (participates in β ladder)trans-80.3135.7179.456.90000111.5F216 E217 G219 E220 M222 Y251 V252T202-F216 HydrophobicContact CG2-CB 4.01Å; T202-F216 HydrophobicContact CG2-CD1 4.41Å; T202-F216 HydrophobicContact CG2-CD2 3.14Å; T202-F216 HydrophobicContact CG2-CE2 3.56Å; T202-F216 HydrophobicContact CG2-CG 3.62Å; T202-F216 HydrophobicContact CG2-CZ 4.38Å; T202-E217 PolarHBondContact OG1-O 3.42Å; T202-G219 WeakPolarHBondContact O-CA 3.36Å; T202-G219 PolarHBondContact O-N 2.93Å; T202-G219 PolarHBondContact OG1-N 2.97Å; T202-G219 VanDerWaalsContact OG1-N 3.12Å; T202-E220 PolarHBondContact N-O 3.29Å; T202-E220 PolarHBondContact OG1-N 3.11Å; T202-E220 PolarHBondContact OG1-O 2.92Å; T202-M222 HydrophobicContact CG2-CE 3.22Å; T202-M222 HydrophobicContact CG2-SD 4.03Å; T202-Y251 CarbonylContact C-O 3.46Å; T202-Y251 VanDerWaalsContact CA-O 3.32Å; T202-Y251 WeakPolarHBondContact CA-O 3.39Å; T202-V252 HydrophobicContact CG2-CG1 3.85Å
203L42.7Very low51.7Low71 Ų7178 Ų7837%0.37243%0.429SS..SBendtrans-91.5-26-179.4-64.5176.8000112.7K218 Y251 V253L203-K218 WeakPolarHBondContact O-CD 3.31Å; L203-K218 WeakPolarHBondContact O-CE 3.49Å; L203-K218 WeakPolarHBondContact O-CG 3.31Å; L203-Y251 PolarHBondContact N-O 3.33Å; L203-V253 HydrophobicContact CD1-CB 4.47Å; L203-V253 HydrophobicContact CD2-CB 4.27Å; L203-V253 HydrophobicContact CD2-CG1 3.82Å; L203-V253 HydrophobicContact CG-CB 4.43Å; L203-V253 HydrophobicContact CG-CG1 4.32Å
204Y43.8Very low53.2Low131 Ų13174.6 Ų74.651%0.51439%0.394SS..SBendtrans-138.6149.6-176.6-53.8-74.8000109.9F216 Y251Y204-F216 WeakPolarHBondContact O-CE2 3.33Å; Y204-Y251 HydrophobicContact CD2-CD1 4.34Å
205P42.3Very low54.3Low86 Ų8673.2 Ų73.256%0.55838%0.382SS*.  trans-71.6140.6173.831.8-30.6000109.7F216P205-F216 WeakPolarHBondContact CA-O 3.03Å
206F53.7Low55.2Low39 Ų3965.5 Ų65.517%0.17135%0.349CS..BIsolated β-bridgetrans-135.8127.4-178.5-176.7-106.4000110S208 E213 L214 N215 F216 W234 P248 Y251F206-S208 WeakPolarHBondContact CE1-OG 3.28Å; F206-S208 WeakPolarHBondContact CZ-OG 3.48Å; F206-E213 HydrophobicContact CE1-CB 4.38Å; F206-L214 WeakPolarHBondContact CD1-O 3.3Å; F206-N215 WeakPolarHBondContact O-CA 3.39Å; F206-F216 HydrophobicContact CB-CD1 4.2Å; F206-F216 HydrophobicContact CB-CD2 3.77Å; F206-F216 HydrophobicContact CB-CE1 3.72Å; F206-F216 HydrophobicContact CB-CE2 3.29Å; F206-F216 HydrophobicContact CB-CG 4.22Å; F206-F216 HydrophobicContact CB-CZ 3.25Å; F206-F216 HydrophobicContact CD1-CD1 4.18Å; F206-F216 AromaticContact CD1-CE1 3.49Å; F206-F216 HydrophobicContact CD1-CE1 3.49Å; F206-F216 VanDerWaalsContact CD1-CE1 3.49Å; F206-F216 AromaticContact CD1-CZ 3.76Å; F206-F216 HydrophobicContact CD1-CZ 3.76Å; F206-F216 HydrophobicContact CE1-CE1 4.38Å; F206-F216 AromaticContact CG-CE1 3.91Å; F206-F216 HydrophobicContact CG-CE1 3.91Å; F206-F216 HydrophobicContact CG-CE2 4.23Å; F206-F216 AromaticContact CG-CZ 3.68Å; F206-F216 HydrophobicContact CG-CZ 3.68Å; F206-F216 PolarHBondContact N-O 3.47Å; F206-F216 PolarHBondContact O-N 3.24Å; F206-F216 VanDerWaalsContact O-O 3.11Å; F206-W234 HydrophobicContact CZ-CH2 4.28Å; F206-W234 HydrophobicContact CZ-CZ3 4.47Å; F206-P248 HydrophobicContact CE2-CG 4.25Å; F206-P248 HydrophobicContact CZ-CG 4.2Å; F206-Y251 HydrophobicContact CB-CD1 4.3Å; F206-Y251 HydrophobicContact CD2-CD1 4.37Å; F206-Y251 HydrophobicContact CD2-CE1 4.2Å
207S44.7Very low55.2Low114 Ų11470.5 Ų70.580%0.79737%0.369SS*.  trans-127.895.1-177.534.10000109.3
208S53.4Low54.6Low28 Ų2875.1 Ų75.120%0.19639%0.387CS..  trans-90.4149174.8-89.60000112.7F206 E213F206-S208 WeakPolarHBondContact CE1-OG 3.28Å; F206-S208 WeakPolarHBondContact CZ-OG 3.48Å; S208-E213 WeakPolarHBondContact CB-OE2 3.48Å; S208-E213 VanDerWaalsContact OG-CD 3.29Å; S208-E213 PolarHBondContact OG-OE2 3.49Å
209V43.1Very low53.8Low151 Ų15175.3 Ų75.392%0.91540%0.397SS*.  trans-98.3-3.5174.3-660000112.9
210T44.6Very low53.5Low62 Ų6275.6 Ų75.638%0.3840%0.397SS..SBendtrans-91.9141.8178.1720000110.6E212 E213T210-E212 PolarHBondContact O-N 3.41Å; T210-E213 PolarHBondContact O-N 2.82Å; T210-E213 VanDerWaalsContact OG1-CB 3.26Å; T210-E213 WeakPolarHBondContact OG1-CB 3.37Å; T210-E213 WeakPolarHBondContact OG1-CG 3.5Å; T210-E213 PolarHBondContact OG1-N 3.39Å; T210-E213 PolarHBondContact OG1-OE2 2.77Å
211E48.6Very low53.7Low197 Ų19778.5 Ų78.592%0.92141%0.414SS*.THydrogen-bonded Turntrans-72.4-11.7178.663.6-176.892.500113.4
212E53.7Low54.4Low131 Ų13175.1 Ų75.161%0.61240%0.399SS*.THydrogen-bonded Turntrans-89.7-17.1179.9-58.9-176.786.300112.3T210 L246T210-E212 PolarHBondContact O-N 3.41Å; E212-L246 PolarHBondContact O-N 3.28Å
213E63.8Low54.8Low50 Ų5078.3 Ų78.323%0.23441%0.413CS..BIsolated β-bridgetrans-104.6143.8-178.7-66.8169.4147.500112F206 S208 T210 W234F206-E213 HydrophobicContact CE1-CB 4.38Å; S208-E213 WeakPolarHBondContact CB-OE2 3.48Å; S208-E213 VanDerWaalsContact OG-CD 3.29Å; S208-E213 PolarHBondContact OG-OE2 3.49Å; T210-E213 PolarHBondContact O-N 2.82Å; T210-E213 VanDerWaalsContact OG1-CB 3.26Å; T210-E213 WeakPolarHBondContact OG1-CB 3.37Å; T210-E213 WeakPolarHBondContact OG1-CG 3.5Å; T210-E213 PolarHBondContact OG1-N 3.39Å; T210-E213 PolarHBondContact OG1-OE2 2.77Å; E213-W234 HydrophobicContact CG-CH2 4.45Å; E213-W234 HydrophobicContact CG-CZ3 4.02Å; E213-W234 WeakPolarHBondContact OE1-CH2 3.49Å
214L65.6Low56.3Low4 Ų474.9 Ų74.92%0.02140%0.396CS..  trans-88.2125.8-179.4-158.771000110.1F206 F216 M222 C237 N239 Q243 L246 V247F206-L214 WeakPolarHBondContact CD1-O 3.3Å; L214-F216 HydrophobicContact CB-CD1 4.4Å; L214-F216 WeakPolarHBondContact O-CD1 3.23Å; L214-F216 VanDerWaalsContact O-CE1 3.31Å; L214-F216 WeakPolarHBondContact O-CE1 3.42Å; L214-M222 HydrophobicContact CD2-CE 4.05Å; L214-M222 HydrophobicContact CD2-SD 4.34Å; L214-C237 HydrophobicContact CD2-CB 4.39Å; L214-N239 HydrophobicContact CD2-CB 3.99Å; L214-Q243 HydrophobicContact CD1-CB 3.76Å; L214-Q243 WeakPolarHBondContact CD1-O 3.43Å; L214-L246 PolarHBondContact N-O 2.7Å; L214-V247 HydrophobicContact CB-CG2 3.71Å; L214-V247 HydrophobicContact CD2-CG2 3.93Å; L214-V247 HydrophobicContact CG-CG2 4.49Å
215N63.9Low57.5Low70 Ų7070.3 Ų70.337%0.37438%0.38SS..  trans-78.5134.6166.850.694.7000109.8F206 R241F206-N215 WeakPolarHBondContact O-CA 3.39Å; N215-R241 PolarHBondContact OD1-NH1 3.49Å
216F67.4Low58.4Low7 Ų770.4 Ų70.43%0.03137%0.373CS..BIsolated β-bridgetrans-152.7150.3-178.551.7-98.3000112.3T202 Y204 P205 F206 L214 E220 M222 V247 Y251T202-F216 HydrophobicContact CG2-CB 4.01Å; T202-F216 HydrophobicContact CG2-CD1 4.41Å; T202-F216 HydrophobicContact CG2-CD2 3.14Å; T202-F216 HydrophobicContact CG2-CE2 3.56Å; T202-F216 HydrophobicContact CG2-CG 3.62Å; T202-F216 HydrophobicContact CG2-CZ 4.38Å; Y204-F216 WeakPolarHBondContact O-CE2 3.33Å; P205-F216 WeakPolarHBondContact CA-O 3.03Å; F206-F216 HydrophobicContact CB-CD1 4.2Å; F206-F216 HydrophobicContact CB-CD2 3.77Å; F206-F216 HydrophobicContact CB-CE1 3.72Å; F206-F216 HydrophobicContact CB-CE2 3.29Å; F206-F216 HydrophobicContact CB-CG 4.22Å; F206-F216 HydrophobicContact CB-CZ 3.25Å; F206-F216 HydrophobicContact CD1-CD1 4.18Å; F206-F216 AromaticContact CD1-CE1 3.49Å; F206-F216 HydrophobicContact CD1-CE1 3.49Å; F206-F216 VanDerWaalsContact CD1-CE1 3.49Å; F206-F216 AromaticContact CD1-CZ 3.76Å; F206-F216 HydrophobicContact CD1-CZ 3.76Å; F206-F216 HydrophobicContact CE1-CE1 4.38Å; F206-F216 AromaticContact CG-CE1 3.91Å; F206-F216 HydrophobicContact CG-CE1 3.91Å; F206-F216 HydrophobicContact CG-CE2 4.23Å; F206-F216 AromaticContact CG-CZ 3.68Å; F206-F216 HydrophobicContact CG-CZ 3.68Å; F206-F216 PolarHBondContact N-O 3.47Å; F206-F216 PolarHBondContact O-N 3.24Å; F206-F216 VanDerWaalsContact O-O 3.11Å; L214-F216 HydrophobicContact CB-CD1 4.4Å; L214-F216 WeakPolarHBondContact O-CD1 3.23Å; L214-F216 VanDerWaalsContact O-CE1 3.31Å; L214-F216 WeakPolarHBondContact O-CE1 3.42Å; F216-E220 WeakPolarHBondContact CA-OE2 3.38Å; F216-M222 HydrophobicContact CB-CE 3.62Å; F216-M222 HydrophobicContact CD1-CE 3.77Å; F216-M222 HydrophobicContact CD2-CE 4.38Å; F216-M222 HydrophobicContact CG-CE 3.68Å; F216-V247 HydrophobicContact CD1-CG1 4.4Å; F216-V247 HydrophobicContact CD1-CG2 4.12Å; F216-V247 HydrophobicContact CE1-CB 4.15Å; F216-V247 HydrophobicContact CE1-CG1 3.56Å; F216-V247 HydrophobicContact CE1-CG2 3.79Å; F216-V247 HydrophobicContact CZ-CG1 3.71Å; F216-Y251 HydrophobicContact CE2-CD1 4.37Å; F216-Y251 HydrophobicContact CZ-CD1 4.49Å
217E55.8Low59Low148 Ų14872.6 Ų72.669%0.69238%0.382SS*.  trans-93.8163.8175.8-68.4-171.189.100111.4T202 G219 E220T202-E217 PolarHBondContact OG1-O 3.42Å; E217-G219 PolarHBondContact O-N 2.96Å; E217-E220 PolarHBondContact N-OE2 3.09Å; E217-E220 VanDerWaalsContact N-OE2 3.07Å; E217-E220 WeakPolarHBondContact O-CB 3.36Å; E217-E220 PolarHBondContact O-N 3.25Å
218K44.8Very low59.4Low153 Ų15368.6 Ų68.667%0.66535%0.354SS*.THydrogen-bonded Turntrans-63.8130176174.1174.8-179.9-172.40110.6L203L203-K218 WeakPolarHBondContact O-CD 3.31Å; L203-K218 WeakPolarHBondContact O-CE 3.49Å; L203-K218 WeakPolarHBondContact O-CG 3.31Å
219G47.8Very low58.7Low35 Ų3576.5 Ų76.536%0.36139%0.387SS..THydrogen-bonded Turntrans87.54.3178.300000114.3Q201 T202 E217Q201-G219 PolarHBondContact NE2-O 2.8Å; Q201-G219 VanDerWaalsContact NE2-O 3.15Å; T202-G219 WeakPolarHBondContact O-CA 3.36Å; T202-G219 PolarHBondContact O-N 2.93Å; T202-G219 PolarHBondContact OG1-N 2.97Å; T202-G219 VanDerWaalsContact OG1-N 3.12Å; E217-G219 PolarHBondContact O-N 2.96Å
220E61.6Low58.4Low36 Ų3676.4 Ų76.417%0.16838%0.382CS..  trans-74.6137.5176.6-169.7174165.400111.4Q201 T202 F216 E217 N239Q201-E220 CarbonylContact C-O 3.56Å; Q201-E220 WeakPolarHBondContact CA-O 3.28Å; T202-E220 PolarHBondContact N-O 3.29Å; T202-E220 PolarHBondContact OG1-N 3.11Å; T202-E220 PolarHBondContact OG1-O 2.92Å; F216-E220 WeakPolarHBondContact CA-OE2 3.38Å; E217-E220 PolarHBondContact N-OE2 3.09Å; E217-E220 VanDerWaalsContact N-OE2 3.07Å; E217-E220 WeakPolarHBondContact O-CB 3.36Å; E217-E220 PolarHBondContact O-N 3.25Å; E220-N239 WeakPolarHBondContact OE1-CB 3.27Å
221T67.1Low58.7Low60 Ų6076.2 Ų76.237%0.36838%0.378SS..EExtended strand (participates in β ladder)trans-97.6133.8179.1-56.40000111V199 V200 I255V199-T221 HydrophobicContact CG1-CG2 3.29Å; V200-T221 CarbonylContact O-C 3.46Å; V200-T221 WeakPolarHBondContact O-CA 3.09Å; T221-I255 HydrophobicContact CG2-CD1 3.54Å; T221-I255 HydrophobicContact CG2-CG1 4.49Å
222M72.9Confident58.9Low2 Ų270.8 Ų70.81%0.0136%0.36CS..EExtended strand (participates in β ladder)trans-142.6153.5-178.460.1-176.457.500111.8V199 V200 T202 L214 F216 C237 K238 V247 V252V199-M222 CarbonylContact C-O 3.44Å; V199-M222 WeakPolarHBondContact CA-O 3.36Å; V200-M222 HydrophobicContact CG2-CG 3.29Å; V200-M222 HydrophobicContact CG2-SD 3.99Å; V200-M222 PolarHBondContact N-O 2.97Å; V200-M222 PolarHBondContact O-N 3.25Å; T202-M222 HydrophobicContact CG2-CE 3.22Å; T202-M222 HydrophobicContact CG2-SD 4.03Å; L214-M222 HydrophobicContact CD2-CE 4.05Å; L214-M222 HydrophobicContact CD2-SD 4.34Å; F216-M222 HydrophobicContact CB-CE 3.62Å; F216-M222 HydrophobicContact CD1-CE 3.77Å; F216-M222 HydrophobicContact CD2-CE 4.38Å; F216-M222 HydrophobicContact CG-CE 3.68Å; M222-C237 HydrophobicContact CB-CB 4.25Å; M222-C237 HydrophobicContact CG-CB 3.96Å; M222-C237 HydrophobicContact SD-CB 3.6Å; M222-K238 CarbonylContact C-O 3.53Å; M222-K238 VanDerWaalsContact CA-O 3.26Å; M222-K238 WeakPolarHBondContact CA-O 3.42Å; M222-K238 WeakPolarHBondContact CB-O 3.49Å; M222-V247 HydrophobicContact CE-CG2 4.43Å; M222-V247 HydrophobicContact SD-CB 4.25Å; M222-V247 HydrophobicContact SD-CG1 3.92Å; M222-V247 HydrophobicContact SD-CG2 3.72Å; M222-V252 HydrophobicContact SD-CG1 4.06Å
223E70.5Confident58.9Low69 Ų6968.3 Ų68.332%0.32235%0.349SS..EExtended strand (participates in β ladder)trans-99.9116.4-176.3-62.3-177.3116.700110.2V196 H198 I225 C237 K238V196-E223 HydrophobicContact CG1-CB 3.97Å; V196-E223 HydrophobicContact CG1-CG 4.17Å; V196-E223 WeakPolarHBondContact CG2-OE1 3.49Å; H198-E223 CarbonylContact O-C 3.58Å; E223-I225 PolarHBondContact O-N 3.37Å; E223-C237 CarbonylContact O-C 3.52Å; E223-C237 VanDerWaalsContact O-CA 3.26Å; E223-C237 WeakPolarHBondContact O-CA 3.28Å; E223-K238 HydrophobicContact CB-CB 4.41Å; E223-K238 PolarHBondContact N-O 2.93Å; E223-K238 PolarHBondContact O-N 3.08Å
224V72.7Confident58.7Low0 Ų068.7 Ų68.70%035%0.348CS..EExtended strand (participates in β ladder)trans-68.1115.4170.6-175.80000108.6L197 H198 V200 K227 W235L197-V224 WeakPolarHBondContact CB-O 3.46Å; L197-V224 PolarHBondContact N-O 2.99Å; H198-V224 HydrophobicContact CB-CB 4.07Å; H198-V224 HydrophobicContact CB-CG2 4.09Å; H198-V224 PolarHBondContact N-O 2.71Å; H198-V224 WeakPolarHBondContact O-CB 3.43Å; H198-V224 PolarHBondContact O-N 3.11Å; V200-V224 HydrophobicContact CB-CG2 4.3Å; V200-V224 HydrophobicContact CG1-CG2 3.41Å; V200-V224 VanDerWaalsContact CG1-CG2 3.41Å; V200-V224 HydrophobicContact CG2-CG2 3.89Å; V224-K227 HydrophobicContact CG1-CG 4.22Å; V224-W235 HydrophobicContact CG1-CB 4.24Å; V224-W235 HydrophobicContact CG2-CE3 3.81Å; V224-W235 HydrophobicContact CG2-CZ3 4.44Å
225I70.1Confident59Low34 Ų3469.6 Ų69.617%0.17435%0.351CS..EExtended strand (participates in β ladder)trans-93.3-36.6176.6-56.9166.4000110.4L197 E223 K236 K238 I244L197-I225 WeakPolarHBondContact CD1-O 3.18Å; E223-I225 PolarHBondContact O-N 3.37Å; I225-K236 PolarHBondContact N-O 3.33Å; I225-K238 HydrophobicContact CD1-CB 3.55Å; I225-K238 HydrophobicContact CD1-CD 4.18Å; I225-K238 HydrophobicContact CD1-CG 4.36Å; I225-K238 HydrophobicContact CG1-CB 4.08Å; I225-I244 HydrophobicContact CD1-CD1 3.73Å; I225-I244 HydrophobicContact CD1-CG1 3.78Å; I225-I244 HydrophobicContact CD1-CG2 4.01Å
226E61.7Low59.2Low89 Ų8969.9 Ų69.942%0.41635%0.349SS..EExtended strand (participates in β ladder)trans-150.7138.9-169.9-152.1-178.4140.600111.3K236E226-K236 HydrophobicContact CB-CB 3.78Å; E226-K236 HydrophobicContact CB-CD 3.86Å; E226-K236 HydrophobicContact CB-CG 4.43Å; E226-K236 PolarHBondContact N-O 2.93Å; E226-K236 WeakPolarHBondContact O-CB 3.24Å; E226-K236 PolarHBondContact O-N 2.76Å; E226-K236 WeakPolarHBondContact OE2-CD 3.48Å; E226-K236 IonicContact OE2-NZ 2.89Å; E226-K236 PolarHBondContact OE2-NZ 3.14Å
227K64.8Low59.6Low85 Ų8569.5 Ų69.537%0.3735%0.347SS..  trans-111.397.9170.2-65.6179.3-173.7171.10106.9H198 V224 E229 W235H198-K227 PolarHBondContact CE1-NZ 2.82Å; H198-K227 PolarHBondContact NE2-NZ 2.92Å; V224-K227 HydrophobicContact CG1-CG 4.22Å; K227-E229 PolarHBondContact O-N 2.87Å; K227-W235 HydrophobicContact CG-CG 4.38Å
228P52.6Low60.5Low30 Ų3065.5 Ų65.520%0.19533%0.328CS..  trans-61.6123.4-179.723.3-31.1000110.1N230 D231 W234P228-N230 PolarHBondContact O-N 2.95Å; P228-D231 HydrophobicContact CG-CB 4.4Å; P228-D231 CarbonylContact O-C 3.58Å; P228-D231 PolarHBondContact O-N 3.05Å; P228-D231 VanDerWaalsContact O-N 3.16Å; P228-W234 WeakPolarHBondContact CD-O 3.45Å; P228-W234 WeakPolarHBondContact CG-O 3.14Å
229E38.7Very low61.6Low193 Ų19358.4 Ų58.490%0.90230%0.297SS*.THydrogen-bonded Turntrans-62.1-25.1176.3-77.6178.785.700112.3K227K227-E229 PolarHBondContact O-N 2.87Å
230N38.7Very low62.3Low150 Ų15061.6 Ų61.680%0.80231%0.314SS*.THydrogen-bonded Turntrans-74.9-22.4177.7-65.4-37.4000113.9P228P228-N230 PolarHBondContact O-N 2.95Å
231D49Very low62.3Low57 Ų5766.7 Ų66.731%0.30533%0.331SS..  trans-146.174.5-175.7-78.3-76.6000110.2K119 P228 E233 W234K119-D231 IonicContact NZ-OD1 2.89Å; K119-D231 IonicContact NZ-OD2 3.8Å; K119-D231 PolarHBondContact NZ-OD2 2.85Å; P228-D231 HydrophobicContact CG-CB 4.4Å; P228-D231 CarbonylContact O-C 3.58Å; P228-D231 PolarHBondContact O-N 3.05Å; P228-D231 VanDerWaalsContact O-N 3.16Å; D231-E233 PolarHBondContact O-N 2.77Å; D231-W234 PolarHBondContact O-N 3.27Å
232P53.5Low62.1Low83 Ų8365.8 Ų65.854%0.53933%0.334SS..THydrogen-bonded Turntrans-65.3-12.4-170.825-35000115.2W235P232-W235 PolarHBondContact O-NE1 2.85Å
233E53.4Low61.5Low80 Ų8069.4 Ų69.437%0.37435%0.35SS..THydrogen-bonded Turntrans-91.7-4.1178.7-66.7-64.7110.100113.4D231 K249 N250D231-E233 PolarHBondContact O-N 2.77Å; E233-K249 WeakPolarHBondContact O-CB 3.14Å; E233-K249 PolarHBondContact O-N 2.79Å; E233-K249 WeakPolarHBondContact OE1-CD 3.29Å; E233-K249 IonicContact OE1-NZ 3.58Å; E233-K249 PolarHBondContact OE1-NZ 2.9Å; E233-N250 PolarHBondContact OE2-ND2 3.39Å
234W59.7Low61.5Low58 Ų5870.5 Ų70.522%0.2236%0.358CS..EExtended strand (participates in β ladder)trans-123.8115.3177.4-71.988.2000110.7F206 E213 P228 D231 L246 V247 P248F206-W234 HydrophobicContact CZ-CH2 4.28Å; F206-W234 HydrophobicContact CZ-CZ3 4.47Å; E213-W234 HydrophobicContact CG-CH2 4.45Å; E213-W234 HydrophobicContact CG-CZ3 4.02Å; E213-W234 WeakPolarHBondContact OE1-CH2 3.49Å; P228-W234 WeakPolarHBondContact CD-O 3.45Å; P228-W234 WeakPolarHBondContact CG-O 3.14Å; D231-W234 PolarHBondContact O-N 3.27Å; W234-L246 HydrophobicContact CE3-CB 3.85Å; W234-L246 HydrophobicContact CZ3-CB 4.46Å; W234-V247 WeakPolarHBondContact CA-O 3.14Å; W234-P248 HydrophobicContact CE3-CB 4.45Å; W234-P248 HydrophobicContact CE3-CG 4.04Å; W234-P248 HydrophobicContact CH2-CB 4.49Å; W234-P248 HydrophobicContact CH2-CG 3.69Å; W234-P248 HydrophobicContact CZ2-CG 4.25Å; W234-P248 HydrophobicContact CZ3-CB 4.39Å; W234-P248 HydrophobicContact CZ3-CG 3.56Å
235W71.6Confident61.3Low22 Ų2270.8 Ų70.88%0.08336%0.361CS..EExtended strand (participates in β ladder)trans-99.8137-178.9-64.2-5.6000110.3V200 V224 K227 P232 C237 L246 V247 K249 V252 I254V200-W235 HydrophobicContact CG1-CE3 4.16Å; V200-W235 HydrophobicContact CG1-CZ3 3.86Å; V224-W235 HydrophobicContact CG1-CB 4.24Å; V224-W235 HydrophobicContact CG2-CE3 3.81Å; V224-W235 HydrophobicContact CG2-CZ3 4.44Å; K227-W235 HydrophobicContact CG-CG 4.38Å; P232-W235 PolarHBondContact O-NE1 2.85Å; W235-C237 PolarHBondContact O-N 3.36Å; W235-L246 CarbonylContact O-C 3.57Å; W235-L246 WeakPolarHBondContact O-CA 3.47Å; W235-V247 PolarHBondContact N-O 2.79Å; W235-V247 PolarHBondContact O-N 3.29Å; W235-K249 HydrophobicContact CH2-CG 4.06Å; W235-K249 HydrophobicContact CZ2-CB 4.36Å; W235-K249 HydrophobicContact CZ2-CD 3.63Å; W235-K249 HydrophobicContact CZ2-CG 3.58Å; W235-V252 HydrophobicContact CE3-CG2 3.99Å; W235-V252 HydrophobicContact CZ3-CG2 4.13Å; W235-I254 HydrophobicContact CH2-CD1 3.8Å; W235-I254 HydrophobicContact CH2-CG1 4.11Å; W235-I254 HydrophobicContact CZ3-CD1 4.04Å; W235-I254 HydrophobicContact CZ3-CG1 3.86Å
236K68.3Low60.9Low76 Ų7671.8 Ų71.833%0.3337%0.366SS..EExtended strand (participates in β ladder)trans-81.7107.9174.4-165.2176.4-180179.40108.1I225 E226 I244 L246I225-K236 PolarHBondContact N-O 3.33Å; E226-K236 HydrophobicContact CB-CB 3.78Å; E226-K236 HydrophobicContact CB-CD 3.86Å; E226-K236 HydrophobicContact CB-CG 4.43Å; E226-K236 PolarHBondContact N-O 2.93Å; E226-K236 WeakPolarHBondContact O-CB 3.24Å; E226-K236 PolarHBondContact O-N 2.76Å; E226-K236 WeakPolarHBondContact OE2-CD 3.48Å; E226-K236 IonicContact OE2-NZ 2.89Å; E226-K236 PolarHBondContact OE2-NZ 3.14Å; K236-I244 HydrophobicContact CD-CG2 4.33Å; K236-I244 HydrophobicContact CG-CG2 3.74Å; K236-L246 HydrophobicContact CB-CD2 4.26Å
237C77Confident61.2Low0 Ų067.6 Ų67.60%035%0.346CS..EExtended strand (participates in β ladder)trans-114.2151.5-175.4-62.80000110.5L214 M222 E223 W235 I244 G245 V247L214-C237 HydrophobicContact CD2-CB 4.39Å; M222-C237 HydrophobicContact CB-CB 4.25Å; M222-C237 HydrophobicContact CG-CB 3.96Å; M222-C237 HydrophobicContact SD-CB 3.6Å; E223-C237 CarbonylContact O-C 3.52Å; E223-C237 VanDerWaalsContact O-CA 3.26Å; E223-C237 WeakPolarHBondContact O-CA 3.28Å; W235-C237 PolarHBondContact O-N 3.36Å; C237-I244 VanDerWaalsContact O-CA 3.32Å; C237-I244 WeakPolarHBondContact O-CA 3.32Å; C237-G245 PolarHBondContact N-O 3.39Å; C237-G245 PolarHBondContact O-N 2.88Å; C237-V247 HydrophobicContact CB-CB 4.21Å; C237-V247 HydrophobicContact CB-CG2 3.69Å
238K73.5Confident60.8Low64 Ų6464.1 Ų64.128%0.27833%0.333SS..EExtended strand (participates in β ladder)trans-112.5119.9171.9-175.5-178.9176.1-168.90109.4M222 E223 I225 Q243 I244M222-K238 CarbonylContact C-O 3.53Å; M222-K238 VanDerWaalsContact CA-O 3.26Å; M222-K238 WeakPolarHBondContact CA-O 3.42Å; M222-K238 WeakPolarHBondContact CB-O 3.49Å; E223-K238 HydrophobicContact CB-CB 4.41Å; E223-K238 PolarHBondContact N-O 2.93Å; E223-K238 PolarHBondContact O-N 3.08Å; I225-K238 HydrophobicContact CD1-CB 3.55Å; I225-K238 HydrophobicContact CD1-CD 4.18Å; I225-K238 HydrophobicContact CD1-CG 4.36Å; I225-K238 HydrophobicContact CG1-CB 4.08Å; K238-Q243 CarbonylContact C-O 3.43Å; K238-Q243 WeakPolarHBondContact CA-O 2.97Å; K238-I244 HydrophobicContact CB-CG1 4.07Å; K238-I244 HydrophobicContact CD-CG1 4.35Å; K238-I244 HydrophobicContact CG-CG1 3.95Å
239N69.1Low61.1Low3 Ų366.5 Ų66.52%0.01634%0.34CS..EExtended strand (participates in β ladder)trans-73.6169.817566.812.2000111.9L214 E220 R241 G242 Q243L214-N239 HydrophobicContact CD2-CB 3.99Å; E220-N239 WeakPolarHBondContact OE1-CB 3.27Å; N239-R241 PolarHBondContact ND2-NH1 3.23Å; N239-R241 PolarHBondContact O-N 3.39Å; N239-R241 VanDerWaalsContact O-N 3.11Å; N239-R241 VanDerWaalsContact OD1-C 3.31Å; N239-R241 WeakPolarHBondContact OD1-CA 3.13Å; N239-R241 VanDerWaalsContact OD1-CB 3.31Å; N239-R241 WeakPolarHBondContact OD1-CB 3.37Å; N239-R241 PolarHBondContact OD1-N 3.42Å; N239-G242 PolarHBondContact O-N 3.07Å; N239-G242 PolarHBondContact OD1-N 2.84Å; N239-Q243 PolarHBondContact N-O 3.33Å; N239-Q243 WeakPolarHBondContact OD1-CB 3.26Å; N239-Q243 PolarHBondContact OD1-N 2.94Å; N239-Q243 PolarHBondContact OD1-O 2.83Å
240S61.1Low61.5Low102 Ų10262.9 Ų62.971%0.71333%0.327SS*.THydrogen-bonded Turntrans-55.7-23.4172.960.70000114G242S240-G242 VanDerWaalsContact C-N 3.26Å; S240-G242 PolarHBondContact O-N 2.71Å
241R62.5Low62Low144 Ų14460 Ų6054%0.54331%0.305SS..THydrogen-bonded Turntrans-82.2-0.8176.4-58153.357.9-152.13.8113.1N215 N239 Q243N215-R241 PolarHBondContact OD1-NH1 3.49Å; N239-R241 PolarHBondContact ND2-NH1 3.23Å; N239-R241 PolarHBondContact O-N 3.39Å; N239-R241 VanDerWaalsContact O-N 3.11Å; N239-R241 VanDerWaalsContact OD1-C 3.31Å; N239-R241 WeakPolarHBondContact OD1-CA 3.13Å; N239-R241 VanDerWaalsContact OD1-CB 3.31Å; N239-R241 WeakPolarHBondContact OD1-CB 3.37Å; N239-R241 PolarHBondContact OD1-N 3.42Å; R241-Q243 VanDerWaalsContact C-N 3.32Å; R241-Q243 VanDerWaalsContact NH2-NE2 3.1Å; R241-Q243 PolarHBondContact O-N 3Å
242G62.4Low62.5Low40 Ų4057.9 Ų57.941%0.41229%0.294SS..SBendtrans80.35.4179.600000115.4N239 S240N239-G242 PolarHBondContact O-N 3.07Å; N239-G242 PolarHBondContact OD1-N 2.84Å; S240-G242 VanDerWaalsContact C-N 3.26Å; S240-G242 PolarHBondContact O-N 2.71Å
243Q59.9Low62.3Low78 Ų7856.8 Ų56.836%0.36429%0.286SS..  trans-79.6137.9175.6-63.8175.4-8.500110.1L214 K238 N239 R241L214-Q243 HydrophobicContact CD1-CB 3.76Å; L214-Q243 WeakPolarHBondContact CD1-O 3.43Å; K238-Q243 CarbonylContact C-O 3.43Å; K238-Q243 WeakPolarHBondContact CA-O 2.97Å; N239-Q243 PolarHBondContact N-O 3.33Å; N239-Q243 WeakPolarHBondContact OD1-CB 3.26Å; N239-Q243 PolarHBondContact OD1-N 2.94Å; N239-Q243 PolarHBondContact OD1-O 2.83Å; R241-Q243 VanDerWaalsContact C-N 3.32Å; R241-Q243 VanDerWaalsContact NH2-NE2 3.1Å; R241-Q243 PolarHBondContact O-N 3Å
244I71.8Confident62.6Low92 Ų9256.5 Ų56.547%0.47229%0.287SS..EExtended strand (participates in β ladder)trans-112.3131.2-178.9-58.5170.9000108I225 K236 C237 K238I225-I244 HydrophobicContact CD1-CD1 3.73Å; I225-I244 HydrophobicContact CD1-CG1 3.78Å; I225-I244 HydrophobicContact CD1-CG2 4.01Å; K236-I244 HydrophobicContact CD-CG2 4.33Å; K236-I244 HydrophobicContact CG-CG2 3.74Å; C237-I244 VanDerWaalsContact O-CA 3.32Å; C237-I244 WeakPolarHBondContact O-CA 3.32Å; K238-I244 HydrophobicContact CB-CG1 4.07Å; K238-I244 HydrophobicContact CD-CG1 4.35Å; K238-I244 HydrophobicContact CG-CG1 3.95Å
245G68.4Low62.5Low6 Ų657.3 Ų57.36%0.06229%0.294CS..EExtended strand (participates in β ladder)trans-162.9170178.200000111.9C237C237-G245 PolarHBondContact N-O 3.39Å; C237-G245 PolarHBondContact O-N 2.88Å
246L62Low61.5Low56 Ų5659.4 Ų59.429%0.29331%0.312SS..EExtended strand (participates in β ladder)trans-78.1136.8176.6-63.9173.4000110.4E212 L214 W234 W235 K236E212-L246 PolarHBondContact O-N 3.28Å; L214-L246 PolarHBondContact N-O 2.7Å; W234-L246 HydrophobicContact CE3-CB 3.85Å; W234-L246 HydrophobicContact CZ3-CB 4.46Å; W235-L246 CarbonylContact O-C 3.57Å; W235-L246 WeakPolarHBondContact O-CA 3.47Å; K236-L246 HydrophobicContact CB-CD2 4.26Å
247V67.1Low60.4Low0 Ų061.5 Ų61.50%033%0.327CS..EExtended strand (participates in β ladder)trans-130.1128.1-177.6175.40000109.2L214 F216 M222 W234 W235 C237 K249 V252L214-V247 HydrophobicContact CB-CG2 3.71Å; L214-V247 HydrophobicContact CD2-CG2 3.93Å; L214-V247 HydrophobicContact CG-CG2 4.49Å; F216-V247 HydrophobicContact CD1-CG1 4.4Å; F216-V247 HydrophobicContact CD1-CG2 4.12Å; F216-V247 HydrophobicContact CE1-CB 4.15Å; F216-V247 HydrophobicContact CE1-CG1 3.56Å; F216-V247 HydrophobicContact CE1-CG2 3.79Å; F216-V247 HydrophobicContact CZ-CG1 3.71Å; M222-V247 HydrophobicContact CE-CG2 4.43Å; M222-V247 HydrophobicContact SD-CB 4.25Å; M222-V247 HydrophobicContact SD-CG1 3.92Å; M222-V247 HydrophobicContact SD-CG2 3.72Å; W234-V247 WeakPolarHBondContact CA-O 3.14Å; W235-V247 PolarHBondContact N-O 2.79Å; W235-V247 PolarHBondContact O-N 3.29Å; C237-V247 HydrophobicContact CB-CB 4.21Å; C237-V247 HydrophobicContact CB-CG2 3.69Å; V247-K249 PolarHBondContact O-N 3.35Å; V247-V252 HydrophobicContact CG1-CG1 3.4Å; V247-V252 VanDerWaalsContact CG1-CG1 3.4Å; V247-V252 HydrophobicContact CG1-CG2 4.31Å
248P56.6Low58.6Low13 Ų1363 Ų638%0.08434%0.343CS..EExtended strand (participates in β ladder)trans-63.7131.2177.4-12.622.5000110.9F206 W234 N250 Y251F206-P248 HydrophobicContact CE2-CG 4.25Å; F206-P248 HydrophobicContact CZ-CG 4.2Å; W234-P248 HydrophobicContact CE3-CB 4.45Å; W234-P248 HydrophobicContact CE3-CG 4.04Å; W234-P248 HydrophobicContact CH2-CB 4.49Å; W234-P248 HydrophobicContact CH2-CG 3.69Å; W234-P248 HydrophobicContact CZ2-CG 4.25Å; W234-P248 HydrophobicContact CZ3-CB 4.39Å; W234-P248 HydrophobicContact CZ3-CG 3.56Å; P248-N250 VanDerWaalsContact C-N 3.27Å; P248-N250 PolarHBondContact O-N 3.16Å; P248-Y251 HydrophobicContact CB-CD2 3.9Å; P248-Y251 HydrophobicContact CB-CG 4.36Å; P248-Y251 HydrophobicContact CG-CD2 4.23Å; P248-Y251 HydrophobicContact CG-CG 4.41Å; P248-Y251 WeakPolarHBondContact O-CB 3.4Å; P248-Y251 PolarHBondContact O-N 3.21Å
249K59Low56.9Low80 Ų8066 Ų6635%0.34837%0.369SS..G310 helixtrans-58.1-36.1178.7176.4179.1163.7-159.40113.1E233 W235 V247 Y251 V252E233-K249 WeakPolarHBondContact O-CB 3.14Å; E233-K249 PolarHBondContact O-N 2.79Å; E233-K249 WeakPolarHBondContact OE1-CD 3.29Å; E233-K249 IonicContact OE1-NZ 3.58Å; E233-K249 PolarHBondContact OE1-NZ 2.9Å; W235-K249 HydrophobicContact CH2-CG 4.06Å; W235-K249 HydrophobicContact CZ2-CB 4.36Å; W235-K249 HydrophobicContact CZ2-CD 3.63Å; W235-K249 HydrophobicContact CZ2-CG 3.58Å; V247-K249 PolarHBondContact O-N 3.35Å; K249-Y251 PolarHBondContact O-N 3.25Å; K249-Y251 VanDerWaalsContact O-N 3.15Å; K249-V252 PolarHBondContact O-N 2.9Å
250N47.6Very low55.1Low116 Ų11672.4 Ų72.462%0.6241%0.408SS*.G310 helixtrans-68.4-9.9178.2-71.7-67000113.8E233 P248E233-N250 PolarHBondContact OE2-ND2 3.39Å; P248-N250 VanDerWaalsContact C-N 3.27Å; P248-N250 PolarHBondContact O-N 3.16Å
251Y48.9Very low53.7Low89 Ų8975.1 Ų75.135%0.34941%0.413SS..G310 helixtrans-102.7-1.8-178.6-80.6-116.4000112.7T202 L203 Y204 F206 F216 P248 K249T202-Y251 CarbonylContact C-O 3.46Å; T202-Y251 VanDerWaalsContact CA-O 3.32Å; T202-Y251 WeakPolarHBondContact CA-O 3.39Å; L203-Y251 PolarHBondContact N-O 3.33Å; Y204-Y251 HydrophobicContact CD2-CD1 4.34Å; F206-Y251 HydrophobicContact CB-CD1 4.3Å; F206-Y251 HydrophobicContact CD2-CD1 4.37Å; F206-Y251 HydrophobicContact CD2-CE1 4.2Å; F216-Y251 HydrophobicContact CE2-CD1 4.37Å; F216-Y251 HydrophobicContact CZ-CD1 4.49Å; P248-Y251 HydrophobicContact CB-CD2 3.9Å; P248-Y251 HydrophobicContact CB-CG 4.36Å; P248-Y251 HydrophobicContact CG-CD2 4.23Å; P248-Y251 HydrophobicContact CG-CG 4.41Å; P248-Y251 WeakPolarHBondContact O-CB 3.4Å; P248-Y251 PolarHBondContact O-N 3.21Å; K249-Y251 PolarHBondContact O-N 3.25Å; K249-Y251 VanDerWaalsContact O-N 3.15Å
252V58.7Low52.1Low13 Ų1375.5 Ų75.58%0.07943%0.426CS..EExtended strand (participates in β ladder)trans-134.7147.5-175.1-66.50000113.3V200 Q201 T202 M222 W235 V247 K249V200-V252 HydrophobicContact CB-CB 4Å; V200-V252 HydrophobicContact CB-CG2 4.38Å; V200-V252 HydrophobicContact CG2-CB 3.91Å; V200-V252 HydrophobicContact CG2-CG1 4.05Å; V200-V252 HydrophobicContact CG2-CG2 4.22Å; Q201-V252 CarbonylContact O-C 3.59Å; Q201-V252 VanDerWaalsContact O-CA 3.26Å; Q201-V252 WeakPolarHBondContact O-CA 3.45Å; T202-V252 HydrophobicContact CG2-CG1 3.85Å; M222-V252 HydrophobicContact SD-CG1 4.06Å; W235-V252 HydrophobicContact CE3-CG2 3.99Å; W235-V252 HydrophobicContact CZ3-CG2 4.13Å; V247-V252 HydrophobicContact CG1-CG1 3.4Å; V247-V252 VanDerWaalsContact CG1-CG1 3.4Å; V247-V252 HydrophobicContact CG1-CG2 4.31Å; K249-V252 PolarHBondContact O-N 2.9Å
253V48.9Very low50.4Low61 Ų6180.4 Ų80.437%0.3745%0.448SS..EExtended strand (participates in β ladder)trans-119.7135.4174.663.10000109.8V200 Q201 L203 I255V200-V253 CarbonylContact C-O 3.52Å; V200-V253 WeakPolarHBondContact CA-O 3.02Å; V200-V253 WeakPolarHBondContact CB-O 2.88Å; Q201-V253 HydrophobicContact CB-CG1 4Å; Q201-V253 PolarHBondContact N-O 3.07Å; Q201-V253 WeakPolarHBondContact O-CG1 3.49Å; Q201-V253 PolarHBondContact O-N 3.23Å; L203-V253 HydrophobicContact CD1-CB 4.47Å; L203-V253 HydrophobicContact CD2-CB 4.27Å; L203-V253 HydrophobicContact CD2-CG1 3.82Å; L203-V253 HydrophobicContact CG-CB 4.43Å; L203-V253 HydrophobicContact CG-CG1 4.32Å; V253-I255 HydrophobicContact CG1-CG2 4.32Å; V253-I255 PolarHBondContact O-N 3.48Å
254I61.5Low49.1Very low74 Ų7481.4 Ų81.438%0.37946%0.464SS..EExtended strand (participates in β ladder)trans-73.5126.1178.4-61.9162.3000109.6H198 V199 V200 W235H198-I254 HydrophobicContact CB-CG1 4.41Å; H198-I254 HydrophobicContact CB-CG2 4.08Å; V199-I254 CarbonylContact O-C 3.5Å; V199-I254 WeakPolarHBondContact O-CA 3.36Å; V200-I254 HydrophobicContact CG1-CB 4.22Å; V200-I254 HydrophobicContact CG1-CG1 3.6Å; W235-I254 HydrophobicContact CH2-CD1 3.8Å; W235-I254 HydrophobicContact CH2-CG1 4.11Å; W235-I254 HydrophobicContact CZ3-CD1 4.04Å; W235-I254 HydrophobicContact CZ3-CG1 3.86Å
255I56.7Low47.2Very low75 Ų7585.1 Ų85.139%0.38548%0.479SS..EExtended strand (participates in β ladder)trans-111-21-179.563.7167.5000114.3V199 Q201 T221 V253V199-I255 HydrophobicContact CB-CG1 4.05Å; V199-I255 HydrophobicContact CG1-CD1 3.87Å; V199-I255 HydrophobicContact CG1-CG1 3.71Å; V199-I255 WeakPolarHBondContact O-CG1 3.29Å; V199-I255 PolarHBondContact O-N 2.88Å; Q201-I255 HydrophobicContact CB-CD1 4.28Å; Q201-I255 HydrophobicContact CB-CG2 3.66Å; T221-I255 HydrophobicContact CG2-CD1 3.54Å; T221-I255 HydrophobicContact CG2-CG1 4.49Å; V253-I255 HydrophobicContact CG1-CG2 4.32Å; V253-I255 PolarHBondContact O-N 3.48Å
256S51.1Low45.6Very low65 Ų6589.9 Ų89.946%0.45551%0.508SS..EExtended strand (participates in β ladder)trans-151.1141174-57.70000113.5V199V199-S256 PolarHBondContact N-O 3.03Å; V199-S256 PolarHBondContact O-N 3.4Å
257D45.6Very low44.2Very low121 Ų12192.5 Ų92.565%0.64753%0.529SS*.EExtended strand (participates in β ladder)trans-101.7134.5171.4-153.9-100.2000109.8H198H198-D257 IonicContact CD2-OD2 3.99Å; H198-D257 PolarHBondContact CD2-OD2 2.75Å; H198-D257 IonicContact NE2-OD2 3.03Å; H198-D257 PolarHBondContact NE2-OD2 2.79Å
258G37.2Very low42.6Very low32 Ų32100.2 Ų100.233%0.3357%0.565SS.*PPolyproline II helixtrans-75.7168.9178.900000113.5
259P39.8Very low41.6Very low127 Ų127105.7 Ų105.783%0.82559%0.592SS**PPolyproline II helixtrans-79.5133.3-138.732-34.9000114.8
260T30.9Very low40.7Very low137 Ų137105.5 Ų105.584%0.8460%0.601SS**  trans-142111.7136.545.80000111.4
261I31.6Very low40.6Very low159 Ų159106.7 Ų106.782%0.81560%0.598SS**  trans36.2101.1147.3-50176000117.4
262N27.7Very low40.8Very low152 Ų152105.4 Ų105.481%0.81360%0.599SS**  trans21.2104.5141.1-67.6-10.3000117.9
263T27.9Very low40.9Very low142 Ų142106 Ų10687%0.87161%0.607SS**  -144.8143110.139.40000109.6
264S32.9Very low41.7Very low100 Ų100105.4 Ų105.470%0.69961%0.605SS**  trans-66.3147.6-164.336.60000115.9
265H31.2Very low42.2Very low170 Ų170102.8 Ų102.879%0.78759%0.593SS**SBendtrans99.5134.7173.7-61.8-82.8000115.3P267H265-P267 WeakPolarHBondContact O-CD 3.49Å
266P35.2Very low42.6Very low106 Ų106104.3 Ų104.369%0.68861%0.61SS**  trans-66.6127.1-16727.3-34000110.6Q268P266-Q268 PolarHBondContact O-N 3.43Å
267P33.3Very low42.9Very low111 Ų111105.3 Ų105.372%0.72161%0.614SS**  trans-82.7103152.432.1-21.5000105.3H265 I269H265-P267 WeakPolarHBondContact O-CD 3.49Å; P267-I269 PolarHBondContact O-N 3.05Å; P267-I269 VanDerWaalsContact O-N 3.08Å
268Q32.3Very low43.9Very low161 Ų161102 Ų10275%0.75261%0.608SS**  trans-40.9116.5138.4-63.9-81.8-68.100105.4P266 S270P266-Q268 PolarHBondContact O-N 3.43Å; Q268-S270 PolarHBondContact O-N 2.6Å
269I35.7Very low45.4Very low128 Ų128107.3 Ų107.366%0.65662%0.618SS**  trans-63.695.6166.2-67.8169.6000103.9P267 Y271P267-I269 PolarHBondContact O-N 3.05Å; P267-I269 VanDerWaalsContact O-N 3.08Å; I269-Y271 HydrophobicContact CB-CD2 4.46Å; I269-Y271 HydrophobicContact CB-CE2 4.2Å; I269-Y271 HydrophobicContact CG2-CD2 3.78Å; I269-Y271 HydrophobicContact CG2-CE1 4.48Å; I269-Y271 HydrophobicContact CG2-CE2 3.5Å; I269-Y271 VanDerWaalsContact CG2-CE2 3.5Å; I269-Y271 HydrophobicContact CG2-CG 4.39Å; I269-Y271 WeakPolarHBondContact O-CD2 3.47Å; I269-Y271 PolarHBondContact O-N 2.74Å
270S40.3Very low47.3Very low76 Ų76102.3 Ų102.353%0.53158%0.583SS.*  trans-66.787.6172.736.80000106.1Q268 T272Q268-S270 PolarHBondContact O-N 2.6Å; S270-T272 WeakPolarHBondContact CA-OG1 3.5Å; S270-T272 WeakPolarHBondContact CB-OG1 3.3Å; S270-T272 PolarHBondContact O-N 3.34Å
271Y45.9Very low49.2Very low142 Ų14298.1 Ų98.156%0.55756%0.562SS**SBendtrans-64.225.9150.1-65.4-83000110.8I269I269-Y271 HydrophobicContact CB-CD2 4.46Å; I269-Y271 HydrophobicContact CB-CE2 4.2Å; I269-Y271 HydrophobicContact CG2-CD2 3.78Å; I269-Y271 HydrophobicContact CG2-CE1 4.48Å; I269-Y271 HydrophobicContact CG2-CE2 3.5Å; I269-Y271 VanDerWaalsContact CG2-CE2 3.5Å; I269-Y271 HydrophobicContact CG2-CG 4.39Å; I269-Y271 WeakPolarHBondContact O-CD2 3.47Å; I269-Y271 PolarHBondContact O-N 2.74Å
272T53.4Low51Low62 Ų6293.6 Ų93.638%0.3856%0.555SS.*SBendtrans-130.833.8-160700000111S270 R302S270-T272 WeakPolarHBondContact CA-OG1 3.5Å; S270-T272 WeakPolarHBondContact CB-OG1 3.3Å; S270-T272 PolarHBondContact O-N 3.34Å; T272-R302 VanDerWaalsContact CA-NH2 3.34Å
273G59Low53.4Low24 Ų2491.6 Ų91.625%0.24754%0.536CS..SBendtrans-169166.9175.200000112.2Y287G273-Y287 WeakPolarHBondContact O-CD1 3.29Å; G273-Y287 WeakPolarHBondContact O-CE1 3.43Å
274P67.4Low55.9Low50 Ų5090.4 Ų90.433%0.32552%0.521SS..  trans-57.5138.617622.3-32.9000112R283 Y286P274-R283 WeakPolarHBondContact CB-O 3.26Å; P274-Y286 CarbonylContact C-O 3.56Å; P274-Y286 VanDerWaalsContact CA-O 3.25Å; P274-Y286 WeakPolarHBondContact CA-O 3.23Å
275S71.4Confident58.3Low18 Ų1886.5 Ų86.513%0.12649%0.491CS..  trans-66131.8179.2-176.10000111.3T277 A281 G282 Y286S275-T277 VanDerWaalsContact C-N 3.28Å; S275-T277 PolarHBondContact OG-N 3.42Å; S275-T277 VanDerWaalsContact OG-N 3.16Å; S275-T277 PolarHBondContact OG-O 2.94Å; S275-T277 PolarHBondContact OG-OG1 2.7Å; S275-A281 WeakPolarHBondContact O-CA 3.41Å; S275-G282 PolarHBondContact O-N 3.44Å; S275-Y286 PolarHBondContact N-O 3Å
276S64.7Low60.9Low107 Ų10778.6 Ų78.675%0.74845%0.454SS*.SBendtrans-86.92.5171.2-58.30000112.8A281S276-A281 WeakPolarHBondContact O-CB 3.3Å
277T57.3Low63.1Low87 Ų8774 Ų7453%0.53442%0.423SS..SBendtrans-131.4155.7-178.659.90000110.8S275 Y286S275-T277 VanDerWaalsContact C-N 3.28Å; S275-T277 PolarHBondContact OG-N 3.42Å; S275-T277 VanDerWaalsContact OG-N 3.16Å; S275-T277 PolarHBondContact OG-O 2.94Å; S275-T277 PolarHBondContact OG-OG1 2.7Å; T277-Y286 WeakPolarHBondContact O-CE1 3.36Å
278G66.4Low65.2Low50 Ų5068.7 Ų68.752%0.51539%0.389SS..SBendtrans100.4-177.5-178.600000114.3F280 A281G278-F280 PolarHBondContact O-N 2.78Å; G278-A281 WeakPolarHBondContact O-CB 3.33Å; G278-A281 PolarHBondContact O-N 3.29Å
279R69.6Low67Low145 Ų14566.9 Ų66.955%0.54738%0.384SS..THydrogen-bonded Turntrans-64.9-25.2-170.8-169-176.5-77.4-178.9-1.3113.3
280F78.3Confident68.6Low22 Ų2261.5 Ų61.510%0.09636%0.357CS..THydrogen-bonded Turntrans-120.529.7179.5-50.7-70.4000112G278 G282 R283 W285 Y286 F320 Y342 M352G278-F280 PolarHBondContact O-N 2.78Å; F280-G282 PolarHBondContact O-N 2.8Å; F280-R283 HydrophobicContact CB-CG 4.1Å; F280-R283 VanDerWaalsContact O-CB 3.32Å; F280-R283 WeakPolarHBondContact O-CB 3.41Å; F280-R283 VanDerWaalsContact O-CG 3.3Å; F280-R283 WeakPolarHBondContact O-CG 3.46Å; F280-R283 PolarHBondContact O-N 2.92Å; F280-R283 VanDerWaalsContact O-N 3.14Å; F280-W285 HydrophobicContact CB-CH2 3.87Å; F280-W285 HydrophobicContact CB-CZ3 4.1Å; F280-W285 AromaticContact CD1-CH2 3.96Å; F280-W285 HydrophobicContact CD1-CH2 3.96Å; F280-W285 HydrophobicContact CD2-CH2 4.31Å; F280-W285 HydrophobicContact CD2-CZ3 4.32Å; F280-W285 AromaticContact CG-CH2 3.79Å; F280-W285 HydrophobicContact CG-CH2 3.79Å; F280-W285 HydrophobicContact CG-CZ3 4.15Å; F280-Y286 VanDerWaalsContact C-CD1 3.46Å; F280-Y286 HydrophobicContact CB-CD1 3.72Å; F280-Y286 HydrophobicContact CB-CD2 4.09Å; F280-Y286 HydrophobicContact CB-CE1 4.17Å; F280-Y286 HydrophobicContact CB-CG 3.64Å; F280-Y286 HydrophobicContact CD2-CD2 4Å; F280-Y286 AromaticContact CD2-CE2 3.95Å; F280-Y286 HydrophobicContact CD2-CE2 3.95Å; F280-Y286 HydrophobicContact CD2-CG 4.43Å; F280-Y286 WeakPolarHBondContact O-CD1 3.45Å; F280-F320 HydrophobicContact CD2-CE1 4.04Å; F280-F320 HydrophobicContact CD2-CZ 4.35Å; F280-F320 HydrophobicContact CE2-CD1 4.07Å; F280-F320 HydrophobicContact CE2-CD2 4.37Å; F280-F320 AromaticContact CE2-CE1 3.59Å; F280-F320 HydrophobicContact CE2-CE1 3.59Å; F280-F320 AromaticContact CE2-CE2 3.95Å; F280-F320 HydrophobicContact CE2-CE2 3.95Å; F280-F320 HydrophobicContact CE2-CG 4.43Å; F280-F320 AromaticContact CE2-CZ 3.53Å; F280-F320 HydrophobicContact CE2-CZ 3.53Å; F280-F320 HydrophobicContact CZ-CE2 4.46Å; F280-F320 HydrophobicContact CZ-CZ 4.33Å; F280-Y342 HydrophobicContact CE2-CE1 4.47Å; F280-Y342 AromaticContact CZ-CE1 3.82Å; F280-Y342 HydrophobicContact CZ-CE1 3.82Å; F280-Y342 AromaticContact CZ-CZ 3.77Å; F280-Y342 WeakPolarHBondContact CZ-OH 3.27Å; F280-M352 HydrophobicContact CD1-CB 4.33Å; F280-M352 HydrophobicContact CE1-CB 3.61Å; F280-M352 HydrophobicContact CE1-CG 4.36Å; F280-M352 HydrophobicContact CE2-CB 4.22Å; F280-M352 HydrophobicContact CE2-CG 4.17Å; F280-M352 HydrophobicContact CZ-CB 3.54Å; F280-M352 HydrophobicContact CZ-CG 3.99Å
281A72.4Confident70.3Confident48 Ų4859.9 Ų59.940%0.39734%0.344SS..THydrogen-bonded Turntrans-48.4134.4176.500000112S275 S276 G278 R283S275-A281 WeakPolarHBondContact O-CA 3.41Å; S276-A281 WeakPolarHBondContact O-CB 3.3Å; G278-A281 WeakPolarHBondContact O-CB 3.33Å; G278-A281 PolarHBondContact O-N 3.29Å; A281-R283 VanDerWaalsContact C-N 3.32Å
282G67.8Low71.8Confident65 Ų6559 Ų5967%0.6734%0.34SS*.THydrogen-bonded Turntrans83.4-0.1179.800000115.1S275 F280S275-G282 PolarHBondContact O-N 3.44Å; F280-G282 PolarHBondContact O-N 2.8Å
283R78.9Confident72.5Confident109 Ų10962.2 Ų62.241%0.41135%0.35SS..  trans-82.7129.3169.6-64.7-71.4-175.4158.41.6110P274 F280 A281 W285 Y286 D353P274-R283 WeakPolarHBondContact CB-O 3.26Å; F280-R283 HydrophobicContact CB-CG 4.1Å; F280-R283 VanDerWaalsContact O-CB 3.32Å; F280-R283 WeakPolarHBondContact O-CB 3.41Å; F280-R283 VanDerWaalsContact O-CG 3.3Å; F280-R283 WeakPolarHBondContact O-CG 3.46Å; F280-R283 PolarHBondContact O-N 2.92Å; F280-R283 VanDerWaalsContact O-N 3.14Å; A281-R283 VanDerWaalsContact C-N 3.32Å; R283-W285 HydrophobicContact CB-CD2 3.98Å; R283-W285 HydrophobicContact CB-CE3 4.41Å; R283-W285 HydrophobicContact CB-CG 4.45Å; R283-W285 HydrophobicContact CB-CH2 4.32Å; R283-W285 HydrophobicContact CB-CZ2 3.88Å; R283-W285 HydrophobicContact CG-CH2 4.14Å; R283-W285 HydrophobicContact CG-CZ2 3.65Å; R283-W285 PolarHBondContact O-N 2.81Å; R283-Y286 PolarHBondContact O-N 3.15Å; R283-D353 IonicContact CZ-OD1 3.49Å; R283-D353 IonicContact CZ-OD2 2.84Å; R283-D353 IonicContact NE-OD1 2.71Å; R283-D353 IonicContact NE-OD2 3.46Å; R283-D353 IonicContact NH1-OD1 2.77Å; R283-D353 PolarHBondContact NH1-OD1 3.02Å; R283-D353 IonicContact NH1-OD2 3.95Å; R283-D353 PolarHBondContact NH1-OD2 2.55Å; R283-D353 IonicContact NH2-OD1 3.5Å; R283-D353 IonicContact NH2-OD2 3.54Å; R283-D353 PolarHBondContact NH2-OD2 2.64Å
284E80.6Confident72.9Confident118 Ų11864.2 Ų64.255%0.55135%0.353SS*.THydrogen-bonded Turntrans-57-26.7-179.3-61.3-174.787.600114.3A378 Q380E284-A378 HydrophobicContact CB-CB 4.24Å; E284-Q380 PolarHBondContact OE1-NE2 3.25Å; E284-Q380 VanDerWaalsContact OE1-NE2 3.11Å
285W83.7Confident73.4Confident18 Ų1861.8 Ų61.87%0.06834%0.338CS..THydrogen-bonded Turntrans-92.3-10.7-179.947.6-100.5000113.8F280 R283 F308 L309 V310 M352 D353 V356 A378F280-W285 HydrophobicContact CB-CH2 3.87Å; F280-W285 HydrophobicContact CB-CZ3 4.1Å; F280-W285 AromaticContact CD1-CH2 3.96Å; F280-W285 HydrophobicContact CD1-CH2 3.96Å; F280-W285 HydrophobicContact CD2-CH2 4.31Å; F280-W285 HydrophobicContact CD2-CZ3 4.32Å; F280-W285 AromaticContact CG-CH2 3.79Å; F280-W285 HydrophobicContact CG-CH2 3.79Å; F280-W285 HydrophobicContact CG-CZ3 4.15Å; R283-W285 HydrophobicContact CB-CD2 3.98Å; R283-W285 HydrophobicContact CB-CE3 4.41Å; R283-W285 HydrophobicContact CB-CG 4.45Å; R283-W285 HydrophobicContact CB-CH2 4.32Å; R283-W285 HydrophobicContact CB-CZ2 3.88Å; R283-W285 HydrophobicContact CG-CH2 4.14Å; R283-W285 HydrophobicContact CG-CZ2 3.65Å; R283-W285 PolarHBondContact O-N 2.81Å; W285-F308 HydrophobicContact CB-CE2 3.65Å; W285-F308 HydrophobicContact CB-CZ 3.97Å; W285-F308 HydrophobicContact CG-CE2 4.3Å; W285-L309 CarbonylContact O-C 3.57Å; W285-V310 HydrophobicContact CD2-CG2 4.35Å; W285-V310 HydrophobicContact CE3-CB 3.65Å; W285-V310 HydrophobicContact CE3-CG1 4.33Å; W285-V310 HydrophobicContact CE3-CG2 3.44Å; W285-V310 VanDerWaalsContact CE3-CG2 3.44Å; W285-V310 HydrophobicContact CZ3-CB 3.94Å; W285-V310 HydrophobicContact CZ3-CG1 4.11Å; W285-V310 HydrophobicContact CZ3-CG2 3.92Å; W285-V310 PolarHBondContact O-N 2.76Å; W285-M352 HydrophobicContact CH2-CB 3.96Å; W285-M352 HydrophobicContact CH2-CG 3.57Å; W285-M352 HydrophobicContact CZ2-CG 4.49Å; W285-M352 HydrophobicContact CZ3-CG 3.8Å; W285-D353 WeakPolarHBondContact CZ2-OD1 3.26Å; W285-V356 HydrophobicContact CD2-CG2 4.41Å; W285-A378 HydrophobicContact CB-CB 3.83Å
286Y84.9Confident73.6Confident3 Ų363.4 Ų63.41%0.01234%0.343CS..EExtended strand (participates in β ladder)trans-98.1122.1-175.6-178.7-118.2000110.8P274 S275 T277 F280 R283 G288 V310 D312 F320P274-Y286 CarbonylContact C-O 3.56Å; P274-Y286 VanDerWaalsContact CA-O 3.25Å; P274-Y286 WeakPolarHBondContact CA-O 3.23Å; S275-Y286 PolarHBondContact N-O 3Å; T277-Y286 WeakPolarHBondContact O-CE1 3.36Å; F280-Y286 VanDerWaalsContact C-CD1 3.46Å; F280-Y286 HydrophobicContact CB-CD1 3.72Å; F280-Y286 HydrophobicContact CB-CD2 4.09Å; F280-Y286 HydrophobicContact CB-CE1 4.17Å; F280-Y286 HydrophobicContact CB-CG 3.64Å; F280-Y286 HydrophobicContact CD2-CD2 4Å; F280-Y286 AromaticContact CD2-CE2 3.95Å; F280-Y286 HydrophobicContact CD2-CE2 3.95Å; F280-Y286 HydrophobicContact CD2-CG 4.43Å; F280-Y286 WeakPolarHBondContact O-CD1 3.45Å; R283-Y286 PolarHBondContact O-N 3.15Å; Y286-G288 VanDerWaalsContact CZ-CA 3.46Å; Y286-V310 HydrophobicContact CD2-CB 4.34Å; Y286-V310 HydrophobicContact CD2-CG1 4.14Å; Y286-D312 PolarHBondContact OH-OD1 3.3Å; Y286-D312 PolarHBondContact OH-OD2 2.8Å; Y286-F320 HydrophobicContact CE2-CD1 4.29Å; Y286-F320 HydrophobicContact CE2-CE1 4.24Å
287Y81.3Confident73.9Confident10 Ų1061.2 Ų61.24%0.03933%0.327CS..EExtended strand (participates in β ladder)trans-108.53.3-177.2-83.3-114.1000112.2G273 N289 V290 L309 V310 L379G273-Y287 WeakPolarHBondContact O-CD1 3.29Å; G273-Y287 WeakPolarHBondContact O-CE1 3.43Å; Y287-N289 PolarHBondContact O-N 3.3Å; Y287-V290 VanDerWaalsContact O-CG2 3.23Å; Y287-V290 WeakPolarHBondContact O-CG2 3.42Å; Y287-L309 HydrophobicContact CD1-CD2 4.47Å; Y287-L309 HydrophobicContact CD2-CB 3.58Å; Y287-L309 HydrophobicContact CE2-CB 3.87Å; Y287-L309 HydrophobicContact CG-CB 4.09Å; Y287-L309 HydrophobicContact CG-CD1 4.47Å; Y287-L309 HydrophobicContact CG-CD2 4.45Å; Y287-V310 PolarHBondContact N-O 3.03Å; Y287-L379 HydrophobicContact CE2-CB 4.37Å; Y287-L379 PolarHBondContact OH-O 3.49Å
288G78.5Confident74.8Confident0 Ų057.5 Ų57.50%031%0.305CS..EExtended strand (participates in β ladder)trans64.6-133.4174.700000113.1Y286 V290 R311 D312Y286-G288 VanDerWaalsContact CZ-CA 3.46Å; G288-V290 PolarHBondContact O-N 3.48Å; G288-R311 WeakPolarHBondContact O-CA 3.41Å; G288-D312 PolarHBondContact O-N 3.48Å
289N69.7Low75.5Confident123 Ų12355.1 Ų55.166%0.65828%0.28SS*.SBendtrans-78.351.8-171.3-33.398.6000112.1Y287 D312Y287-N289 PolarHBondContact O-N 3.3Å; N289-D312 PolarHBondContact N-OD2 2.73Å; N289-D312 PolarHBondContact ND2-OD2 2.86Å
290V69.7Low75.8Confident15 Ų1552.6 Ų52.69%0.09128%0.278CS..  trans-96.7132.7179.1167.50000109.5Y287 G288 Q294 A295 R311Y287-V290 VanDerWaalsContact O-CG2 3.23Å; Y287-V290 WeakPolarHBondContact O-CG2 3.42Å; G288-V290 PolarHBondContact O-N 3.48Å; V290-Q294 HydrophobicContact CG1-CB 3.65Å; V290-A295 HydrophobicContact CG1-CB 4.05Å; V290-R311 HydrophobicContact CB-CB 4.24Å; V290-R311 VanDerWaalsContact O-CD 3.3Å; V290-R311 WeakPolarHBondContact O-CD 3.31Å
291T76.1Confident75.4Confident41 Ų4158.5 Ų58.525%0.25231%0.306SS..  trans-72.8162.7178.566.10000111.3H293 Q294 A295 E314T291-H293 VanDerWaalsContact C-N 3.25Å; T291-H293 PolarHBondContact O-N 3.38Å; T291-Q294 PolarHBondContact O-N 2.83Å; T291-Q294 WeakPolarHBondContact OG1-CB 3.26Å; T291-Q294 WeakPolarHBondContact OG1-CG 3.32Å; T291-Q294 PolarHBondContact OG1-N 2.86Å; T291-Q294 VanDerWaalsContact OG1-N 3.13Å; T291-Q294 PolarHBondContact OG1-NE2 2.73Å; T291-A295 WeakPolarHBondContact O-CB 3.46Å; T291-A295 PolarHBondContact O-N 2.89Å; T291-E314 WeakPolarHBondContact CA-OE1 3.29Å; T291-E314 WeakPolarHBondContact CB-OE1 3.42Å
292R75.9Confident75.5Confident124 Ų12459.8 Ų59.847%0.46830%0.3SS..Hα-helixtrans-53.2-47.7173.2-174.5179.8172.1177.9-5.2111.3A295 E296 R311 E314 H332R292-A295 WeakPolarHBondContact O-CB 3.09Å; R292-A295 PolarHBondContact O-N 3.12Å; R292-E296 IonicContact NE-OE2 3.48Å; R292-E296 WeakPolarHBondContact O-CG 3.46Å; R292-E296 PolarHBondContact O-N 3.01Å; R292-R311 VanDerWaalsContact CA-CZ 3.49Å; R292-R311 VanDerWaalsContact CB-NH2 3.32Å; R292-E314 VanDerWaalsContact CB-OE2 3.3Å; R292-E314 WeakPolarHBondContact CB-OE2 3.46Å; R292-E314 PolarHBondContact N-OE1 3.23Å; R292-E314 PolarHBondContact N-OE2 3.26Å; R292-H332 PolarHBondContact NE-CD2 3.27Å; R292-H332 VanDerWaalsContact NE-CD2 3.27Å; R292-H332 PolarHBondContact NE-NE2 3.28Å
293H68.6Low76Confident129 Ų12957.2 Ų57.260%0.59727%0.274SS*.Hα-helixtrans-64.3-43.6-178.3-175.864.4000112T291 A295 E296 C297T291-H293 VanDerWaalsContact C-N 3.25Å; T291-H293 PolarHBondContact O-N 3.38Å; H293-A295 VanDerWaalsContact C-N 3.33Å; H293-A295 PolarHBondContact O-N 2.83Å; H293-E296 WeakPolarHBondContact O-CB 3.36Å; H293-E296 PolarHBondContact O-N 3.27Å; H293-E296 VanDerWaalsContact O-N 3.17Å; H293-C297 PolarHBondContact O-N 3Å; H293-C297 PolarHBondContact O-SG 3.42Å; H293-C297 VanDerWaalsContact O-SG 3.4Å
294Q67.6Low76.1Confident66 Ų6655.9 Ų55.931%0.30828%0.278SS..Hα-helixtrans-62.8-40.4176.3-72.9167.529.700111.8V290 T291 E296 C297 A298V290-Q294 HydrophobicContact CG1-CB 3.65Å; T291-Q294 PolarHBondContact O-N 2.83Å; T291-Q294 WeakPolarHBondContact OG1-CB 3.26Å; T291-Q294 WeakPolarHBondContact OG1-CG 3.32Å; T291-Q294 PolarHBondContact OG1-N 2.86Å; T291-Q294 VanDerWaalsContact OG1-N 3.13Å; T291-Q294 PolarHBondContact OG1-NE2 2.73Å; Q294-E296 VanDerWaalsContact C-N 3.35Å; Q294-C297 PolarHBondContact O-N 3.07Å; Q294-A298 WeakPolarHBondContact O-CB 3.24Å; Q294-A298 PolarHBondContact O-N 3.14Å
295A77.2Confident76.1Confident0 Ų055.6 Ų55.60%028%0.276CS..Hα-helixtrans-62.2-41.5173.300000112.1V290 T291 R292 H293 A298 L299 L309V290-A295 HydrophobicContact CG1-CB 4.05Å; T291-A295 WeakPolarHBondContact O-CB 3.46Å; T291-A295 PolarHBondContact O-N 2.89Å; R292-A295 WeakPolarHBondContact O-CB 3.09Å; R292-A295 PolarHBondContact O-N 3.12Å; H293-A295 VanDerWaalsContact C-N 3.33Å; H293-A295 PolarHBondContact O-N 2.83Å; A295-A298 PolarHBondContact O-N 3.07Å; A295-L299 WeakPolarHBondContact O-CB 3.36Å; A295-L299 WeakPolarHBondContact O-CD1 3.42Å; A295-L299 VanDerWaalsContact O-CG 3.22Å; A295-L299 WeakPolarHBondContact O-CG 3.46Å; A295-L299 PolarHBondContact O-N 3.16Å; A295-L309 HydrophobicContact CB-CD1 3.76Å; A295-L309 HydrophobicContact CB-CD2 4.09Å; A295-L309 HydrophobicContact CB-CG 4.36Å
296E76.9Confident75.8Confident51 Ų5155 Ų5524%0.23828%0.276CS..Hα-helixtrans-63.9-45.4176-73177.9114.700111.9R292 H293 Q294 L299 N300 N330 H332R292-E296 IonicContact NE-OE2 3.48Å; R292-E296 WeakPolarHBondContact O-CG 3.46Å; R292-E296 PolarHBondContact O-N 3.01Å; H293-E296 WeakPolarHBondContact O-CB 3.36Å; H293-E296 PolarHBondContact O-N 3.27Å; H293-E296 VanDerWaalsContact O-N 3.17Å; Q294-E296 VanDerWaalsContact C-N 3.35Å; E296-L299 PolarHBondContact O-N 3.47Å; E296-N300 VanDerWaalsContact O-CB 3.24Å; E296-N300 WeakPolarHBondContact O-CB 3.48Å; E296-N300 PolarHBondContact O-N 2.82Å; E296-N300 PolarHBondContact O-ND2 3.35Å; E296-N300 VanDerWaalsContact O-ND2 3.08Å; E296-N330 HydrophobicContact CG-CB 4.32Å; E296-N330 PolarHBondContact O-ND2 3.12Å; E296-H332 VanDerWaalsContact CG-CE1 3.48Å; E296-H332 WeakPolarHBondContact CG-CE1 3.34Å; E296-H332 VanDerWaalsContact CG-NE2 3.28Å; E296-H332 WeakPolarHBondContact CG-NE2 3.47Å; E296-H332 IonicContact OE1-NE2 3.4Å; E296-H332 PolarHBondContact OE1-NE2 3.42Å
297C71.4Confident76Confident62 Ų6255 Ų5542%0.41928%0.276SS..Hα-helixtrans-59.7-47.7175.4-71.20000111.2H293 Q294 L299 N300 E301H293-C297 PolarHBondContact O-N 3Å; H293-C297 PolarHBondContact O-SG 3.42Å; H293-C297 VanDerWaalsContact O-SG 3.4Å; Q294-C297 PolarHBondContact O-N 3.07Å; C297-L299 PolarHBondContact O-N 2.78Å; C297-N300 PolarHBondContact O-N 3.13Å; C297-E301 VanDerWaalsContact O-CB 3.26Å; C297-E301 WeakPolarHBondContact O-CB 3.34Å; C297-E301 PolarHBondContact O-N 3.24Å
298A75.4Confident76.5Confident8 Ų854.5 Ų54.57%0.06627%0.274CS..Hα-helixtrans-60.9-44.5178.700000112.6Q294 A295 N300 R302 L309 L379Q294-A298 WeakPolarHBondContact O-CB 3.24Å; Q294-A298 PolarHBondContact O-N 3.14Å; A295-A298 PolarHBondContact O-N 3.07Å; A298-N300 VanDerWaalsContact C-N 3.35Å; A298-R302 PolarHBondContact O-N 3.25Å; A298-L309 HydrophobicContact CB-CD2 4.45Å; A298-L379 HydrophobicContact CB-CD2 3.67Å
299L80.8Confident77Confident0 Ų054.5 Ų54.50%027%0.274CS..Hα-helixtrans-69.9-29.8177.6-71.7167.2000112.8A295 E296 C297 G303 D307 L309 K325 L379A295-L299 WeakPolarHBondContact O-CB 3.36Å; A295-L299 WeakPolarHBondContact O-CD1 3.42Å; A295-L299 VanDerWaalsContact O-CG 3.22Å; A295-L299 WeakPolarHBondContact O-CG 3.46Å; A295-L299 PolarHBondContact O-N 3.16Å; E296-L299 PolarHBondContact O-N 3.47Å; C297-L299 PolarHBondContact O-N 2.78Å; L299-G303 CarbonylContact O-C 3.53Å; L299-G303 WeakPolarHBondContact O-CA 3.3Å; L299-G303 PolarHBondContact O-N 2.79Å; L299-G303 VanDerWaalsContact O-N 3.07Å; L299-D307 HydrophobicContact CD2-CB 4.42Å; L299-D307 WeakPolarHBondContact CD2-O 3.42Å; L299-L309 HydrophobicContact CD1-CD2 4.35Å; L299-L309 HydrophobicContact CD2-CD2 4.29Å; L299-L309 HydrophobicContact CG-CD2 3.99Å; L299-K325 HydrophobicContact CB-CB 4.37Å; L299-K325 HydrophobicContact CD2-CB 4.09Å; L299-K325 WeakPolarHBondContact O-CD 3.36Å; L299-L379 HydrophobicContact CD2-CB 4.37Å; L299-L379 HydrophobicContact CD2-CD1 4.23Å; L299-L379 HydrophobicContact CD2-CD2 4.08Å; L299-L379 HydrophobicContact CD2-CG 4.47Å; L299-L379 HydrophobicContact CG-CD2 4.33Å
300N75.9Confident77.9Confident92 Ų9248.7 Ų48.749%0.49224%0.243SC..Hα-helixtrans-81.5-32.3177.8-73.3-27.4000113E296 C297 A298 K325 N330E296-N300 VanDerWaalsContact O-CB 3.24Å; E296-N300 WeakPolarHBondContact O-CB 3.48Å; E296-N300 PolarHBondContact O-N 2.82Å; E296-N300 PolarHBondContact O-ND2 3.35Å; E296-N300 VanDerWaalsContact O-ND2 3.08Å; C297-N300 PolarHBondContact O-N 3.13Å; A298-N300 VanDerWaalsContact C-N 3.35Å; N300-K325 PolarHBondContact OD1-NZ 2.76Å; N300-N330 PolarHBondContact OD1-ND2 3.16Å; N300-N330 PolarHBondContact OD1-OD1 2.82Å
301E70.6Confident78.8Confident147 Ų14748.4 Ų48.469%0.68724%0.24SC*.Hα-helixtrans-79.3-41.5-180-172.5-17785.700111.9C297C297-E301 VanDerWaalsContact O-CB 3.26Å; C297-E301 WeakPolarHBondContact O-CB 3.34Å; C297-E301 PolarHBondContact O-N 3.24Å
302R74.1Confident78.9Confident74 Ų7448.1 Ų48.128%0.27924%0.237SC..THydrogen-bonded Turntrans-123.1-17.9-170.6-59.1-173-62.8-85.6-1.8114.7T272 A298 L379T272-R302 VanDerWaalsContact CA-NH2 3.34Å; A298-R302 PolarHBondContact O-N 3.25Å; R302-L379 HydrophobicContact CB-CD1 4.19Å
303G78.6Confident78.8Confident11 Ų1142.9 Ų42.911%0.11322%0.22CC..PPolyproline II helixtrans-83.3141.1-17400000113.4L299 L379L299-G303 CarbonylContact O-C 3.53Å; L299-G303 WeakPolarHBondContact O-CA 3.3Å; L299-G303 PolarHBondContact O-N 2.79Å; L299-G303 VanDerWaalsContact O-N 3.07Å; G303-L379 VanDerWaalsContact CA-CD1 3.43Å
304V81.2Confident78.5Confident81 Ų8142 Ų4249%0.49122%0.216SC..PPolyproline II helixtrans-101.8166.2165.4-62.30000110.9G306 D307 K325V304-G306 PolarHBondContact O-N 3.44Å; V304-D307 VanDerWaalsContact CG2-OD1 3.27Å; V304-D307 WeakPolarHBondContact CG2-OD1 3.19Å; V304-D307 WeakPolarHBondContact CG2-OD2 3.35Å; V304-D307 PolarHBondContact N-OD2 3.5Å; V304-D307 WeakPolarHBondContact O-CB 3.4Å; V304-D307 VanDerWaalsContact O-CG 3.28Å; V304-D307 PolarHBondContact O-N 2.77Å; V304-K325 VanDerWaalsContact O-CB 3.29Å; V304-K325 WeakPolarHBondContact O-CB 2.92Å; V304-K325 WeakPolarHBondContact O-CG 3.39Å
305E79.6Confident77.9Confident112 Ų11244 Ų4452%0.52324%0.238SC..THydrogen-bonded Turntrans-54.8128.8179.6-178170.7106.900111.7S327E305-S327 WeakPolarHBondContact OE2-CA 3.35Å; E305-S327 WeakPolarHBondContact OE2-CB 3.5Å; E305-S327 PolarHBondContact OE2-N 2.79Å; E305-S327 PolarHBondContact OE2-OG 3.13Å; E305-S327 VanDerWaalsContact OE2-OG 3.06Å
306G77.9Confident77.1Confident6 Ų645.5 Ų45.56%0.06225%0.248CC..THydrogen-bonded Turntrans94.3-12.1-173.700000114.4V304 L324 K325 V376V304-G306 PolarHBondContact O-N 3.44Å; G306-L324 WeakPolarHBondContact O-CD1 3.32Å; G306-K325 PolarHBondContact N-O 2.84Å; G306-V376 WeakPolarHBondContact O-CB 3.5Å; G306-V376 PolarHBondContact O-N 3.49Å
307D88.9Confident76.3Confident3 Ų349.7 Ų49.72%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-72.1136.9177.1-69.99.2000110.7L299 V304 L324 K325 K377 L379L299-D307 HydrophobicContact CD2-CB 4.42Å; L299-D307 WeakPolarHBondContact CD2-O 3.42Å; V304-D307 VanDerWaalsContact CG2-OD1 3.27Å; V304-D307 WeakPolarHBondContact CG2-OD1 3.19Å; V304-D307 WeakPolarHBondContact CG2-OD2 3.35Å; V304-D307 PolarHBondContact N-OD2 3.5Å; V304-D307 WeakPolarHBondContact O-CB 3.4Å; V304-D307 VanDerWaalsContact O-CG 3.28Å; V304-D307 PolarHBondContact O-N 2.77Å; D307-L324 WeakPolarHBondContact O-CD1 3.39Å; D307-K325 HydrophobicContact CB-CB 4.34Å; D307-K325 WeakPolarHBondContact O-CB 3.14Å; D307-K325 PolarHBondContact O-N 2.77Å; D307-K377 VanDerWaalsContact CA-O 3.31Å; D307-K377 WeakPolarHBondContact CA-O 3.46Å; D307-K377 WeakPolarHBondContact OD1-CE 3.34Å; D307-K377 WeakPolarHBondContact OD1-CG 3.31Å; D307-K377 IonicContact OD1-NZ 3.99Å; D307-K377 WeakPolarHBondContact OD2-CE 3.46Å; D307-K377 IonicContact OD2-NZ 3.75Å; D307-L379 HydrophobicContact CB-CD1 4.42Å
308F92.2Very high76.2Confident0 Ų050.1 Ų50.10%028%0.283CS..EExtended strand (participates in β ladder)trans-138159.6-177.475-81.1000112.6W285 V310 V322 S323 L324 V356 L375 K377 A378 L379W285-F308 HydrophobicContact CB-CE2 3.65Å; W285-F308 HydrophobicContact CB-CZ 3.97Å; W285-F308 HydrophobicContact CG-CE2 4.3Å; F308-V310 HydrophobicContact CD2-CG2 4.45Å; F308-V310 HydrophobicContact CE2-CG2 4.41Å; F308-V322 HydrophobicContact CD2-CG1 4.3Å; F308-S323 CarbonylContact C-O 3.56Å; F308-S323 WeakPolarHBondContact CA-O 3.5Å; F308-S323 WeakPolarHBondContact CB-O 3.48Å; F308-L324 HydrophobicContact CB-CB 4.49Å; F308-L324 HydrophobicContact CB-CD1 3.95Å; F308-V356 HydrophobicContact CE1-CG1 4.49Å; F308-V356 HydrophobicContact CE2-CG1 3.81Å; F308-V356 HydrophobicContact CE2-CG2 4.15Å; F308-V356 HydrophobicContact CZ-CG1 3.45Å; F308-V356 VanDerWaalsContact CZ-CG1 3.45Å; F308-L375 HydrophobicContact CB-CD2 3.76Å; F308-L375 HydrophobicContact CD1-CB 3.6Å; F308-L375 HydrophobicContact CD1-CD2 4.15Å; F308-L375 HydrophobicContact CD1-CG 4.33Å; F308-L375 HydrophobicContact CD2-CD1 4.19Å; F308-L375 HydrophobicContact CD2-CD2 4.17Å; F308-L375 HydrophobicContact CE1-CB 3.7Å; F308-L375 HydrophobicContact CE2-CD1 4.23Å; F308-L375 HydrophobicContact CG-CB 4.05Å; F308-L375 HydrophobicContact CG-CD1 4.45Å; F308-L375 HydrophobicContact CG-CD2 3.76Å; F308-L375 HydrophobicContact CG-CG 4.28Å; F308-L375 HydrophobicContact CZ-CB 4.22Å; F308-K377 WeakPolarHBondContact CD1-O 3.43Å; F308-K377 WeakPolarHBondContact CE1-O 3.39Å; F308-K377 PolarHBondContact N-O 3.09Å; F308-A378 CarbonylContact O-C 3.49Å; F308-A378 WeakPolarHBondContact O-CA 3.46Å; F308-L379 PolarHBondContact O-N 3.45Å
309L89.4Confident76.6Confident0 Ų050.6 Ų50.60%029%0.285CS..EExtended strand (participates in β ladder)trans-140.1153.6168.766.287.3000109.8W285 Y287 A295 A298 L299 R311 S323 L379W285-L309 CarbonylContact O-C 3.57Å; Y287-L309 HydrophobicContact CD1-CD2 4.47Å; Y287-L309 HydrophobicContact CD2-CB 3.58Å; Y287-L309 HydrophobicContact CE2-CB 3.87Å; Y287-L309 HydrophobicContact CG-CB 4.09Å; Y287-L309 HydrophobicContact CG-CD1 4.47Å; Y287-L309 HydrophobicContact CG-CD2 4.45Å; A295-L309 HydrophobicContact CB-CD1 3.76Å; A295-L309 HydrophobicContact CB-CD2 4.09Å; A295-L309 HydrophobicContact CB-CG 4.36Å; A298-L309 HydrophobicContact CB-CD2 4.45Å; L299-L309 HydrophobicContact CD1-CD2 4.35Å; L299-L309 HydrophobicContact CD2-CD2 4.29Å; L299-L309 HydrophobicContact CG-CD2 3.99Å; L309-R311 HydrophobicContact CD1-CB 4.16Å; L309-R311 HydrophobicContact CD1-CG 4.49Å; L309-S323 PolarHBondContact N-O 3.28Å; L309-S323 PolarHBondContact O-N 3.28Å; L309-L379 HydrophobicContact CB-CB 4.45Å; L309-L379 HydrophobicContact CD2-CD2 3.74Å
310V88.9Confident76.9Confident0 Ų051.1 Ų51.10%029%0.287CS..EExtended strand (participates in β ladder)trans-110131.9174.7-179.10000108.3W285 Y286 Y287 F308 F320 S321 V322 M352W285-V310 HydrophobicContact CD2-CG2 4.35Å; W285-V310 HydrophobicContact CE3-CB 3.65Å; W285-V310 HydrophobicContact CE3-CG1 4.33Å; W285-V310 HydrophobicContact CE3-CG2 3.44Å; W285-V310 VanDerWaalsContact CE3-CG2 3.44Å; W285-V310 HydrophobicContact CZ3-CB 3.94Å; W285-V310 HydrophobicContact CZ3-CG1 4.11Å; W285-V310 HydrophobicContact CZ3-CG2 3.92Å; W285-V310 PolarHBondContact O-N 2.76Å; Y286-V310 HydrophobicContact CD2-CB 4.34Å; Y286-V310 HydrophobicContact CD2-CG1 4.14Å; Y287-V310 PolarHBondContact N-O 3.03Å; F308-V310 HydrophobicContact CD2-CG2 4.45Å; F308-V310 HydrophobicContact CE2-CG2 4.41Å; V310-F320 HydrophobicContact CG1-CB 4.31Å; V310-S321 WeakPolarHBondContact CA-O 3.42Å; V310-V322 HydrophobicContact CG2-CG2 4.22Å; V310-M352 HydrophobicContact CB-CE 4.33Å; V310-M352 HydrophobicContact CG1-CE 3.23Å; V310-M352 HydrophobicContact CG2-CE 4.15Å
311R86.9Confident77.4Confident9 Ų947.2 Ų47.23%0.03427%0.267CS..EExtended strand (participates in β ladder)trans-131.3163.1178.967.1-166.5-17779.2-1.4110.6G288 V290 R292 L309 E314 F320 S321 S323G288-R311 WeakPolarHBondContact O-CA 3.41Å; V290-R311 HydrophobicContact CB-CB 4.24Å; V290-R311 VanDerWaalsContact O-CD 3.3Å; V290-R311 WeakPolarHBondContact O-CD 3.31Å; R292-R311 VanDerWaalsContact CA-CZ 3.49Å; R292-R311 VanDerWaalsContact CB-NH2 3.32Å; L309-R311 HydrophobicContact CD1-CB 4.16Å; L309-R311 HydrophobicContact CD1-CG 4.49Å; R311-E314 IonicContact CZ-OE2 2.6Å; R311-E314 IonicContact NH1-OE2 2.74Å; R311-E314 PolarHBondContact NH1-OE2 3.38Å; R311-E314 IonicContact NH2-OE2 3.89Å; R311-E314 PolarHBondContact NH2-OE2 3.36Å; R311-F320 CarbonylContact O-C 3.56Å; R311-F320 WeakPolarHBondContact O-CA 3.34Å; R311-S321 PolarHBondContact N-O 2.91Å; R311-S321 PolarHBondContact O-N 3.15Å; R311-S323 PolarHBondContact NE-OG 2.69Å
312D79.4Confident78.4Confident35 Ų3540.2 Ų40.219%0.18723%0.234CC..EExtended strand (participates in β ladder)trans-67.3145.7171.2-56.5-41.7000110.4Y286 G288 N289 E314 F320Y286-D312 PolarHBondContact OH-OD1 3.3Å; Y286-D312 PolarHBondContact OH-OD2 2.8Å; G288-D312 PolarHBondContact O-N 3.48Å; N289-D312 PolarHBondContact N-OD2 2.73Å; N289-D312 PolarHBondContact ND2-OD2 2.86Å; D312-E314 PolarHBondContact O-N 2.89Å; D312-F320 WeakPolarHBondContact OD1-CE1 3.1Å
313S72.9Confident79Confident15 Ų1536.7 Ų36.711%0.10522%0.221CC..  trans-76124179178.40000111.1S315 S316 D319S313-S315 VanDerWaalsContact C-N 3.29Å; S313-S315 PolarHBondContact O-N 2.92Å; S313-S316 WeakPolarHBondContact CB-O 3.39Å; S313-S316 PolarHBondContact OG-N 3.42Å; S313-D319 VanDerWaalsContact CB-C 3.42Å; S313-D319 WeakPolarHBondContact CB-O 3.34Å; S313-D319 PolarHBondContact N-O 2.55Å
314E62.5Low79.5Confident110 Ų11036.2 Ų36.251%0.51422%0.215SC..THydrogen-bonded Turntrans-67.1-30.6177.3-70.816210900112.7T291 R292 R311 D312T291-E314 WeakPolarHBondContact CA-OE1 3.29Å; T291-E314 WeakPolarHBondContact CB-OE1 3.42Å; R292-E314 VanDerWaalsContact CB-OE2 3.3Å; R292-E314 WeakPolarHBondContact CB-OE2 3.46Å; R292-E314 PolarHBondContact N-OE1 3.23Å; R292-E314 PolarHBondContact N-OE2 3.26Å; R311-E314 IonicContact CZ-OE2 2.6Å; R311-E314 IonicContact NH1-OE2 2.74Å; R311-E314 PolarHBondContact NH1-OE2 3.38Å; R311-E314 IonicContact NH2-OE2 3.89Å; R311-E314 PolarHBondContact NH2-OE2 3.36Å; D312-E314 PolarHBondContact O-N 2.89Å
315S54.3Low79.7Confident109 Ų10934 Ų3476%0.76220%0.199SC*.THydrogen-bonded Turntrans-93.9-8.5-174.3-47.60000113.6S313S313-S315 VanDerWaalsContact C-N 3.29Å; S313-S315 PolarHBondContact O-N 2.92Å
316S62.1Low79.8Confident30 Ų3029 Ų2921%0.2118%0.178CC..  trans-153.1110-173.6-53.60000109.9S313 S318 D319 K334S313-S316 WeakPolarHBondContact CB-O 3.39Å; S313-S316 PolarHBondContact OG-N 3.42Å; S316-S318 PolarHBondContact O-N 3.12Å; S316-D319 WeakPolarHBondContact CB-OD2 3.31Å; S316-D319 PolarHBondContact O-N 2.84Å; S316-D319 VanDerWaalsContact O-N 3.1Å; S316-D319 PolarHBondContact OG-OD2 3.22Å; S316-K334 PolarHBondContact OG-NZ 3.08Å
317P58.5Low79.5Confident140 Ų14033.7 Ų33.791%0.90921%0.209SC*.THydrogen-bonded Turntrans-71.424.4-169.627.7-34.8000115.5
318S71.1Confident78.6Confident70 Ų7036.5 Ų36.549%0.4924%0.238SC..THydrogen-bonded Turntrans-145.7-4.2174.9-62.20000113S316 L337S316-S318 PolarHBondContact O-N 3.12Å; S318-L337 VanDerWaalsContact O-CB 3.31Å; S318-L337 WeakPolarHBondContact O-CB 3.44Å
319D82Confident77.8Confident19 Ų1941.9 Ų41.910%0.10226%0.262CS..  trans-97.5163.6179.7-66.9-23.8000110S313 S316 K334 V335 Q336 L337S313-D319 VanDerWaalsContact CB-C 3.42Å; S313-D319 WeakPolarHBondContact CB-O 3.34Å; S313-D319 PolarHBondContact N-O 2.55Å; S316-D319 WeakPolarHBondContact CB-OD2 3.31Å; S316-D319 PolarHBondContact O-N 2.84Å; S316-D319 VanDerWaalsContact O-N 3.1Å; S316-D319 PolarHBondContact OG-OD2 3.22Å; D319-K334 WeakPolarHBondContact OD2-CE 3.3Å; D319-K334 IonicContact OD2-NZ 3.73Å; D319-K334 PolarHBondContact OD2-NZ 2.92Å; D319-V335 WeakPolarHBondContact CA-O 3.12Å; D319-V335 WeakPolarHBondContact CB-O 3.38Å; D319-Q336 VanDerWaalsContact OD1-CA 3.31Å; D319-Q336 WeakPolarHBondContact OD1-CA 3.39Å; D319-L337 PolarHBondContact OD1-N 3.38Å
320F87.7Confident77.4Confident10 Ų1042.4 Ų42.44%0.04427%0.265CS..EExtended strand (participates in β ladder)trans-119.8166.2176-58.8-85.1000110.1F280 Y286 V310 R311 D312 V335 Y342 M352F280-F320 HydrophobicContact CD2-CE1 4.04Å; F280-F320 HydrophobicContact CD2-CZ 4.35Å; F280-F320 HydrophobicContact CE2-CD1 4.07Å; F280-F320 HydrophobicContact CE2-CD2 4.37Å; F280-F320 AromaticContact CE2-CE1 3.59Å; F280-F320 HydrophobicContact CE2-CE1 3.59Å; F280-F320 AromaticContact CE2-CE2 3.95Å; F280-F320 HydrophobicContact CE2-CE2 3.95Å; F280-F320 HydrophobicContact CE2-CG 4.43Å; F280-F320 AromaticContact CE2-CZ 3.53Å; F280-F320 HydrophobicContact CE2-CZ 3.53Å; F280-F320 HydrophobicContact CZ-CE2 4.46Å; F280-F320 HydrophobicContact CZ-CZ 4.33Å; Y286-F320 HydrophobicContact CE2-CD1 4.29Å; Y286-F320 HydrophobicContact CE2-CE1 4.24Å; V310-F320 HydrophobicContact CG1-CB 4.31Å; R311-F320 CarbonylContact O-C 3.56Å; R311-F320 WeakPolarHBondContact O-CA 3.34Å; D312-F320 WeakPolarHBondContact OD1-CE1 3.1Å; F320-V335 HydrophobicContact CB-CB 4.14Å; F320-V335 PolarHBondContact N-O 2.69Å; F320-V335 PolarHBondContact O-N 3.33Å; F320-Y342 HydrophobicContact CD2-CD1 4.32Å; F320-Y342 AromaticContact CD2-CE1 3.97Å; F320-Y342 HydrophobicContact CD2-CE1 3.97Å; F320-Y342 AromaticContact CE2-CE1 3.81Å; F320-Y342 HydrophobicContact CE2-CE1 3.81Å; F320-M352 HydrophobicContact CB-CE 3.78Å; F320-M352 HydrophobicContact CG-CE 4.24Å
321S86.5Confident77.1Confident11 Ų1146.2 Ų46.28%0.07728%0.281CS..EExtended strand (participates in β ladder)trans-133.9128.4174.6-73.10000110.2V310 R311 F333V310-S321 WeakPolarHBondContact CA-O 3.42Å; R311-S321 PolarHBondContact N-O 2.91Å; R311-S321 PolarHBondContact O-N 3.15Å; S321-F333 CarbonylContact C-O 3.52Å; S321-F333 WeakPolarHBondContact CA-O 3.48Å
322V90.9Very high77Confident0 Ų047.8 Ų47.80%029%0.289CS..EExtended strand (participates in β ladder)trans-93.1118.7171.7-178.20000107.7F308 V310 H332 F333 V335 M352 L355 I364 L375F308-V322 HydrophobicContact CD2-CG1 4.3Å; V310-V322 HydrophobicContact CG2-CG2 4.22Å; V322-H332 CarbonylContact O-C 3.37Å; V322-H332 WeakPolarHBondContact O-CA 3.32Å; V322-F333 HydrophobicContact CB-CB 4.45Å; V322-F333 PolarHBondContact N-O 2.86Å; V322-F333 PolarHBondContact O-N 2.82Å; V322-V335 HydrophobicContact CG2-CG2 3.66Å; V322-M352 HydrophobicContact CG2-CE 4.46Å; V322-L355 HydrophobicContact CG2-CD2 4.4Å; V322-I364 HydrophobicContact CG1-CD1 4.39Å; V322-L375 HydrophobicContact CG1-CD1 4.23Å; V322-L375 HydrophobicContact CG1-CD2 3.76Å
323S87.9Confident77.3Confident0 Ų047.8 Ų47.80%029%0.287CS..EExtended strand (participates in β ladder)trans-105.7126176.4-52.90000108.6F308 L309 R311 K331 H332F308-S323 CarbonylContact C-O 3.56Å; F308-S323 WeakPolarHBondContact CA-O 3.5Å; F308-S323 WeakPolarHBondContact CB-O 3.48Å; L309-S323 PolarHBondContact N-O 3.28Å; L309-S323 PolarHBondContact O-N 3.28Å; R311-S323 PolarHBondContact NE-OG 2.69Å; S323-K331 CarbonylContact C-O 3.36Å; S323-K331 WeakPolarHBondContact CA-O 3.16Å; S323-H332 WeakPolarHBondContact CB-ND1 3.2Å; S323-H332 PolarHBondContact OG-ND1 2.82Å
324L89.5Confident77.8Confident0 Ų051.2 Ų51.20%030%0.301CS..EExtended strand (participates in β ladder)trans-126132.6-171.7174.865.6000110.6G306 D307 F308 N330 K331 F333 I364 L373 L375G306-L324 WeakPolarHBondContact O-CD1 3.32Å; D307-L324 WeakPolarHBondContact O-CD1 3.39Å; F308-L324 HydrophobicContact CB-CB 4.49Å; F308-L324 HydrophobicContact CB-CD1 3.95Å; L324-N330 CarbonylContact O-C 3.41Å; L324-N330 VanDerWaalsContact O-CA 3.3Å; L324-N330 WeakPolarHBondContact O-CA 3.49Å; L324-K331 PolarHBondContact N-O 2.87Å; L324-K331 PolarHBondContact O-N 2.77Å; L324-F333 HydrophobicContact CB-CE2 4.19Å; L324-F333 HydrophobicContact CD2-CE2 4.06Å; L324-I364 HydrophobicContact CD2-CG2 3.69Å; L324-L373 HydrophobicContact CD2-CB 3.82Å; L324-L373 HydrophobicContact CD2-CD1 4.3Å; L324-L375 HydrophobicContact CD1-CD2 4.04Å; L324-L375 HydrophobicContact CD2-CD2 4.33Å
325K85.5Confident79Confident35 Ų3546 Ų4615%0.15228%0.276CS..  trans-76.5125.5171.8-176.954.5168.71650110.2L299 N300 V304 G306 D307 N330L299-K325 HydrophobicContact CB-CB 4.37Å; L299-K325 HydrophobicContact CD2-CB 4.09Å; L299-K325 WeakPolarHBondContact O-CD 3.36Å; N300-K325 PolarHBondContact OD1-NZ 2.76Å; V304-K325 VanDerWaalsContact O-CB 3.29Å; V304-K325 WeakPolarHBondContact O-CB 2.92Å; V304-K325 WeakPolarHBondContact O-CG 3.39Å; G306-K325 PolarHBondContact N-O 2.84Å; D307-K325 HydrophobicContact CB-CB 4.34Å; D307-K325 WeakPolarHBondContact O-CB 3.14Å; D307-K325 PolarHBondContact O-N 2.77Å; K325-N330 WeakPolarHBondContact CD-OD1 3.15Å
326A81.8Confident80.5Confident8 Ų845 Ų457%0.06626%0.26CS..  trans-126.6161.817300000110.2G328 L373A326-G328 PolarHBondContact O-N 3.31Å; A326-L373 HydrophobicContact CB-CD1 3.94Å; A326-L373 HydrophobicContact CB-CD2 4.06Å
327S70.7Confident81.4Confident104 Ų10445.4 Ų45.473%0.72726%0.259SS*.SBendtrans-46.3-37.5-177.6-130.80000115.1E305E305-S327 WeakPolarHBondContact OE2-CA 3.35Å; E305-S327 WeakPolarHBondContact OE2-CB 3.5Å; E305-S327 PolarHBondContact OE2-N 2.79Å; E305-S327 PolarHBondContact OE2-OG 3.13Å; E305-S327 VanDerWaalsContact OE2-OG 3.06Å
328G69.9Low82.6Confident61 Ų6141.5 Ų41.563%0.62923%0.232SC*.SBendtrans-104.4-86.9178.200000112.6A326A326-G328 PolarHBondContact O-N 3.31Å
329K75.2Confident83.1Confident113 Ų11345.2 Ų45.249%0.49125%0.247SC..SBendtrans-105.2139.1-178.8-63.8-176.8-170.3171.60111.3S35 K331S35-K329 PolarHBondContact O-NZ 2.95Å; S35-K329 WeakPolarHBondContact OG-CE 3.29Å; S35-K329 PolarHBondContact OG-NZ 2.81Å; K329-K331 PolarHBondContact O-N 2.83Å
330N81.1Confident83Confident12 Ų1249 Ų496%0.06428%0.275CS..  trans-59.7138.7171.3-60-14.6000109.7E296 N300 L324 K325E296-N330 HydrophobicContact CG-CB 4.32Å; E296-N330 PolarHBondContact O-ND2 3.12Å; N300-N330 PolarHBondContact OD1-ND2 3.16Å; N300-N330 PolarHBondContact OD1-OD1 2.82Å; L324-N330 CarbonylContact O-C 3.41Å; L324-N330 VanDerWaalsContact O-CA 3.3Å; L324-N330 WeakPolarHBondContact O-CA 3.49Å; K325-N330 WeakPolarHBondContact CD-OD1 3.15Å
331K81.8Confident82.9Confident79 Ų7950 Ų5034%0.34328%0.282SS..EExtended strand (participates in β ladder)trans-104141.2179.9-66.4-71.4-173.61720108.7S323 L324 K329 F333 L373S323-K331 CarbonylContact C-O 3.36Å; S323-K331 WeakPolarHBondContact CA-O 3.16Å; L324-K331 PolarHBondContact N-O 2.87Å; L324-K331 PolarHBondContact O-N 2.77Å; K329-K331 PolarHBondContact O-N 2.83Å; K331-F333 HydrophobicContact CB-CE2 3.64Å; K331-F333 HydrophobicContact CB-CZ 3.7Å; K331-F333 HydrophobicContact CG-CZ 4.38Å; K331-L373 HydrophobicContact CG-CD1 3.99Å
332H85.9Confident82.8Confident43 Ų4350.5 Ų50.520%0.19928%0.282CS..EExtended strand (participates in β ladder)trans-123.8127176.1-55.3-86.1000109R292 E296 V322 S323R292-H332 PolarHBondContact NE-CD2 3.27Å; R292-H332 VanDerWaalsContact NE-CD2 3.27Å; R292-H332 PolarHBondContact NE-NE2 3.28Å; E296-H332 VanDerWaalsContact CG-CE1 3.48Å; E296-H332 WeakPolarHBondContact CG-CE1 3.34Å; E296-H332 VanDerWaalsContact CG-NE2 3.28Å; E296-H332 WeakPolarHBondContact CG-NE2 3.47Å; E296-H332 IonicContact OE1-NE2 3.4Å; E296-H332 PolarHBondContact OE1-NE2 3.42Å; V322-H332 CarbonylContact O-C 3.37Å; V322-H332 WeakPolarHBondContact O-CA 3.32Å; S323-H332 WeakPolarHBondContact CB-ND1 3.2Å; S323-H332 PolarHBondContact OG-ND1 2.82Å
333F86.4Confident82.3Confident34 Ų3451 Ų5115%0.14929%0.285CS..EExtended strand (participates in β ladder)trans-116.6123.9179.9-53.5-85.6000109.3S321 V322 L324 K331 I344 I364 F365S321-F333 CarbonylContact C-O 3.52Å; S321-F333 WeakPolarHBondContact CA-O 3.48Å; V322-F333 HydrophobicContact CB-CB 4.45Å; V322-F333 PolarHBondContact N-O 2.86Å; V322-F333 PolarHBondContact O-N 2.82Å; L324-F333 HydrophobicContact CB-CE2 4.19Å; L324-F333 HydrophobicContact CD2-CE2 4.06Å; K331-F333 HydrophobicContact CB-CE2 3.64Å; K331-F333 HydrophobicContact CB-CZ 3.7Å; K331-F333 HydrophobicContact CG-CZ 4.38Å; F333-I344 HydrophobicContact CB-CD1 3.55Å; F333-I344 HydrophobicContact CB-CG1 4.3Å; F333-I344 HydrophobicContact CG-CD1 4.27Å; F333-I364 HydrophobicContact CB-CD1 4.39Å; F333-I364 HydrophobicContact CD1-CG1 4.31Å; F333-I364 HydrophobicContact CD2-CD1 3.66Å; F333-I364 HydrophobicContact CD2-CG1 4.13Å; F333-I364 HydrophobicContact CE1-CG1 4.37Å; F333-I364 HydrophobicContact CE2-CD1 4.03Å; F333-I364 HydrophobicContact CE2-CG1 4.19Å; F333-I364 HydrophobicContact CE2-CG2 3.88Å; F333-I364 HydrophobicContact CG-CD1 3.96Å; F333-I364 HydrophobicContact CG-CG1 4.19Å; F333-I364 HydrophobicContact CZ-CG1 4.31Å; F333-I364 HydrophobicContact CZ-CG2 3.97Å; F333-F365 HydrophobicContact CE1-CB 3.98Å; F333-F365 HydrophobicContact CE1-CD2 4.34Å; F333-F365 HydrophobicContact CZ-CB 3.74Å; F333-F365 HydrophobicContact CZ-CG 4.44Å
334K83.6Confident82.2Confident88 Ų8851.4 Ų51.438%0.38329%0.288SS..EExtended strand (participates in β ladder)trans-73.5130.5175.5-171.2174.7-177.9-1780109.4S316 D319 Q336S316-K334 PolarHBondContact OG-NZ 3.08Å; D319-K334 WeakPolarHBondContact OD2-CE 3.3Å; D319-K334 IonicContact OD2-NZ 3.73Å; D319-K334 PolarHBondContact OD2-NZ 2.92Å; K334-Q336 HydrophobicContact CD-CG 4.21Å; K334-Q336 HydrophobicContact CG-CG 4.23Å
335V87.8Confident81.8Confident0 Ų055 Ų550%033%0.325CS..EExtended strand (participates in β ladder)trans-111.4110.1172-178.50000107.5D319 F320 V322 Y342 C343 I344 M352 L355D319-V335 WeakPolarHBondContact CA-O 3.12Å; D319-V335 WeakPolarHBondContact CB-O 3.38Å; F320-V335 HydrophobicContact CB-CB 4.14Å; F320-V335 PolarHBondContact N-O 2.69Å; F320-V335 PolarHBondContact O-N 3.33Å; V322-V335 HydrophobicContact CG2-CG2 3.66Å; V335-Y342 HydrophobicContact CG1-CD1 4.1Å; V335-C343 CarbonylContact C-O 3.6Å; V335-C343 VanDerWaalsContact CA-O 3.29Å; V335-C343 WeakPolarHBondContact CA-O 3.39Å; V335-I344 HydrophobicContact CG2-CB 4.3Å; V335-I344 HydrophobicContact CG2-CD1 4.19Å; V335-M352 HydrophobicContact CB-CE 4.39Å; V335-M352 HydrophobicContact CG1-CE 4.24Å; V335-M352 HydrophobicContact CG1-SD 4.11Å; V335-M352 HydrophobicContact CG2-CE 4.23Å; V335-L355 HydrophobicContact CG1-CD1 3.7Å; V335-L355 HydrophobicContact CG2-CD1 4.07Å
336Q85.3Confident81.4Confident89 Ų8962.9 Ų62.942%0.41636%0.362SS..EExtended strand (participates in β ladder)trans-88.2137.9-179.9-66.3178.1-58.100110.5D319 K334 V338 C343D319-Q336 VanDerWaalsContact OD1-CA 3.31Å; D319-Q336 WeakPolarHBondContact OD1-CA 3.39Å; K334-Q336 HydrophobicContact CD-CG 4.21Å; K334-Q336 HydrophobicContact CG-CG 4.23Å; Q336-V338 HydrophobicContact CB-CG2 4.2Å; Q336-C343 HydrophobicContact CB-CB 4.39Å; Q336-C343 PolarHBondContact N-O 2.81Å; Q336-C343 PolarHBondContact O-N 2.82Å
337L80.7Confident81.3Confident38 Ų3868.7 Ų68.720%0.19938%0.382CS..EExtended strand (participates in β ladder)trans-99.4104.5171.5-176.374.6000109.1S318 D319 Y342S318-L337 VanDerWaalsContact O-CB 3.31Å; S318-L337 WeakPolarHBondContact O-CB 3.44Å; D319-L337 PolarHBondContact OD1-N 3.38Å; L337-Y342 HydrophobicContact CD1-CD1 3.97Å; L337-Y342 HydrophobicContact CD1-CD2 4.42Å; L337-Y342 HydrophobicContact CD1-CE1 3.64Å; L337-Y342 HydrophobicContact CD1-CE2 4.12Å; L337-Y342 HydrophobicContact CD1-CG 4.34Å
338V82.8Confident82.2Confident57 Ų5772 Ų7235%0.34538%0.379SS..EExtended strand (participates in β ladder)trans-120.6121.6-179.8-174.50000108.4Q336 S340 V341Q336-V338 HydrophobicContact CB-CG2 4.2Å; V338-S340 PolarHBondContact O-N 2.94Å; V338-V341 PolarHBondContact N-O 2.94Å; V338-V341 WeakPolarHBondContact O-CA 3.24Å; V338-V341 WeakPolarHBondContact O-CB 3.43Å; V338-V341 PolarHBondContact O-N 3.11Å
339D81.2Confident83.1Confident149 Ų14969.9 Ų69.980%0.79735%0.352SS*.THydrogen-bonded Turntrans50.541.9-179.3-69-82.7000113.6V341D339-V341 PolarHBondContact O-N 2.9Å
340S81.1Confident83.6Confident99 Ų9970.1 Ų70.169%0.69236%0.359SS*.THydrogen-bonded Turntrans65.112.5-175.3-49.40000115.7V338V338-S340 PolarHBondContact O-N 2.94Å
341V84.5Confident83.9Confident31 Ų3172.3 Ų72.319%0.18837%0.373CS..EExtended strand (participates in β ladder)trans-107.6131176-177.30000109.7V338 D339 R348 F349V338-V341 PolarHBondContact N-O 2.94Å; V338-V341 WeakPolarHBondContact O-CA 3.24Å; V338-V341 WeakPolarHBondContact O-CB 3.43Å; V338-V341 PolarHBondContact O-N 3.11Å; D339-V341 PolarHBondContact O-N 2.9Å; V341-R348 HydrophobicContact CG1-CB 3.88Å; V341-R348 HydrophobicContact CG1-CG 4.46Å; V341-F349 VanDerWaalsContact CG1-O 3.28Å; V341-F349 WeakPolarHBondContact CG1-O 3.49Å
342Y85.1Confident84.1Confident20 Ų2068.6 Ų68.68%0.07836%0.357CS..EExtended strand (participates in β ladder)trans-83.3118.1178.1-61.8-88.6000110F280 F320 V335 L337 R348 F349 M352F280-Y342 HydrophobicContact CE2-CE1 4.47Å; F280-Y342 AromaticContact CZ-CE1 3.82Å; F280-Y342 HydrophobicContact CZ-CE1 3.82Å; F280-Y342 AromaticContact CZ-CZ 3.77Å; F280-Y342 WeakPolarHBondContact CZ-OH 3.27Å; F320-Y342 HydrophobicContact CD2-CD1 4.32Å; F320-Y342 AromaticContact CD2-CE1 3.97Å; F320-Y342 HydrophobicContact CD2-CE1 3.97Å; F320-Y342 AromaticContact CE2-CE1 3.81Å; F320-Y342 HydrophobicContact CE2-CE1 3.81Å; V335-Y342 HydrophobicContact CG1-CD1 4.1Å; L337-Y342 HydrophobicContact CD1-CD1 3.97Å; L337-Y342 HydrophobicContact CD1-CD2 4.42Å; L337-Y342 HydrophobicContact CD1-CE1 3.64Å; L337-Y342 HydrophobicContact CD1-CE2 4.12Å; L337-Y342 HydrophobicContact CD1-CG 4.34Å; Y342-R348 CarbonylContact O-C 3.52Å; Y342-R348 WeakPolarHBondContact O-CA 3.49Å; Y342-F349 PolarHBondContact N-O 2.89Å; Y342-F349 PolarHBondContact O-N 2.82Å; Y342-M352 HydrophobicContact CD1-SD 3.93Å; Y342-M352 HydrophobicContact CE1-CB 4.42Å; Y342-M352 HydrophobicContact CE1-SD 4.41Å; Y342-M352 HydrophobicContact CG-SD 4.41Å
343C81.2Confident84.1Confident10 Ų1068.2 Ų68.27%0.06836%0.356CS..EExtended strand (participates in β ladder)trans-115.6132.3-175.2-58.20000110.7V335 Q336 R347V335-C343 CarbonylContact C-O 3.6Å; V335-C343 VanDerWaalsContact CA-O 3.29Å; V335-C343 WeakPolarHBondContact CA-O 3.39Å; Q336-C343 HydrophobicContact CB-CB 4.39Å; Q336-C343 PolarHBondContact N-O 2.81Å; Q336-C343 PolarHBondContact O-N 2.82Å; C343-R347 WeakPolarHBondContact CA-O 3.06Å
344I85.5Confident84.1Confident10 Ų1070.7 Ų70.75%0.05137%0.368CS..EExtended strand (participates in β ladder)trans-137.8113.1175.4175.1169.5000109.1F333 V335 Q346 R347 F349 L355 Y359 I364F333-I344 HydrophobicContact CB-CD1 3.55Å; F333-I344 HydrophobicContact CB-CG1 4.3Å; F333-I344 HydrophobicContact CG-CD1 4.27Å; V335-I344 HydrophobicContact CG2-CB 4.3Å; V335-I344 HydrophobicContact CG2-CD1 4.19Å; I344-Q346 PolarHBondContact O-N 3.4Å; I344-R347 PolarHBondContact N-O 2.81Å; I344-R347 PolarHBondContact O-N 3.26Å; I344-R347 VanDerWaalsContact O-N 3.12Å; I344-F349 HydrophobicContact CG2-CD2 4.16Å; I344-F349 HydrophobicContact CG2-CE2 3.66Å; I344-L355 HydrophobicContact CB-CD1 4.34Å; I344-L355 HydrophobicContact CG2-CD1 3.65Å; I344-L355 HydrophobicContact CG2-CG 4.08Å; I344-Y359 HydrophobicContact CD1-CE2 4.38Å; I344-Y359 HydrophobicContact CG2-CE2 3.46Å; I344-Y359 VanDerWaalsContact CG2-CE2 3.46Å; I344-Y359 WeakPolarHBondContact CG2-OH 3.47Å; I344-I364 HydrophobicContact CD1-CD1 3.71Å; I344-I364 HydrophobicContact CD1-CG1 4.06Å
345G80.4Confident84.4Confident76 Ų7666.5 Ų66.578%0.78435%0.35SS*.THydrogen-bonded Turntrans59.2-118.3-167.100000111
346Q78.1Confident84.4Confident199 Ų19966.7 Ų66.793%0.9335%0.351SS*.THydrogen-bonded Turntrans-96.9-4.7178.4-65.8-177.2-13.500113.9I344I344-Q346 PolarHBondContact O-N 3.4Å
347R80.1Confident84.4Confident130 Ų13067.7 Ų67.749%0.49136%0.356SS..EExtended strand (participates in β ladder)trans-93.9150.3-177.1-61.5-165.1-174.8-118.1-9.4111.3C343 I344 F349 H358 Y359C343-R347 WeakPolarHBondContact CA-O 3.06Å; I344-R347 PolarHBondContact N-O 2.81Å; I344-R347 PolarHBondContact O-N 3.26Å; I344-R347 VanDerWaalsContact O-N 3.12Å; R347-F349 HydrophobicContact CB-CE2 3.66Å; R347-F349 HydrophobicContact CB-CZ 3.92Å; R347-H358 PolarHBondContact NH1-CE1 3.07Å; R347-H358 PolarHBondContact NH1-NE2 2.89Å; R347-Y359 WeakPolarHBondContact CD-OH 3.2Å
348R88.4Confident84.7Confident173 Ų17368.7 Ų68.765%0.65336%0.359SS*.EExtended strand (participates in β ladder)trans-130.4137.7-175.1-65.4179.7166-108.40.3109.7V341 Y342V341-R348 HydrophobicContact CG1-CB 3.88Å; V341-R348 HydrophobicContact CG1-CG 4.46Å; Y342-R348 CarbonylContact O-C 3.52Å; Y342-R348 WeakPolarHBondContact O-CA 3.49Å
349F89.6Confident84.9Confident17 Ų1766.6 Ų66.68%0.07535%0.345CS..EExtended strand (participates in β ladder)trans-137.9142.2-176.7-57.5-84000110.5V341 Y342 I344 R347 E354 L355 H358 Y359V341-F349 VanDerWaalsContact CG1-O 3.28Å; V341-F349 WeakPolarHBondContact CG1-O 3.49Å; Y342-F349 PolarHBondContact N-O 2.89Å; Y342-F349 PolarHBondContact O-N 2.82Å; I344-F349 HydrophobicContact CG2-CD2 4.16Å; I344-F349 HydrophobicContact CG2-CE2 3.66Å; R347-F349 HydrophobicContact CB-CE2 3.66Å; R347-F349 HydrophobicContact CB-CZ 3.92Å; F349-E354 HydrophobicContact CD1-CB 4.4Å; F349-L355 HydrophobicContact CB-CB 3.98Å; F349-L355 HydrophobicContact CD1-CB 4.24Å; F349-L355 HydrophobicContact CD2-CB 3.73Å; F349-L355 HydrophobicContact CD2-CD1 3.74Å; F349-L355 HydrophobicContact CD2-CG 3.69Å; F349-L355 HydrophobicContact CE2-CB 4.28Å; F349-L355 HydrophobicContact CE2-CD1 4.24Å; F349-L355 HydrophobicContact CE2-CG 3.92Å; F349-L355 HydrophobicContact CG-CB 3.7Å; F349-L355 HydrophobicContact CG-CD1 4.46Å; F349-L355 HydrophobicContact CG-CG 4.2Å; F349-H358 HydrophobicContact CD1-CB 4.37Å; F349-H358 HydrophobicContact CE1-CB 3.47Å; F349-H358 VanDerWaalsContact CE1-CB 3.47Å; F349-H358 AromaticContact CE1-CD2 3.82Å; F349-H358 AromaticContact CE1-CG 3.52Å; F349-H358 HydrophobicContact CZ-CB 3.99Å; F349-H358 AromaticContact CZ-CD2 3.61Å; F349-H358 AromaticContact CZ-CG 3.81Å; F349-Y359 AromaticContact CE2-CE2 3.6Å; F349-Y359 HydrophobicContact CE2-CE2 3.6Å; F349-Y359 HydrophobicContact CZ-CD2 4.34Å; F349-Y359 AromaticContact CZ-CE2 3.64Å; F349-Y359 HydrophobicContact CZ-CE2 3.64Å
350N85.8Confident85.1Confident119 Ų11964.2 Ų64.264%0.63633%0.328SS*.SBendtrans-79.6-27.4-179-72.278.2000111.8E354N350-E354 PolarHBondContact N-OE2 2.73Å
351T87.2Confident85.2Confident58 Ų5867.9 Ų67.936%0.35633%0.331SS..SBendtrans-133.2157175.5680000111.8D353 E354 L355T351-D353 VanDerWaalsContact C-N 3.27Å; T351-D353 PolarHBondContact O-N 2.97Å; T351-E354 PolarHBondContact O-N 3.07Å; T351-E354 WeakPolarHBondContact OG1-CB 3.11Å; T351-E354 VanDerWaalsContact OG1-CG 3.28Å; T351-E354 WeakPolarHBondContact OG1-CG 2.95Å; T351-E354 PolarHBondContact OG1-N 2.93Å; T351-L355 PolarHBondContact O-N 3.24Å
352M84.8Confident85.2Confident1 Ų167.4 Ų67.41%0.00533%0.33CS..Hα-helixtrans-67.1-31.1175.7-164.562.4158.400111.9F280 W285 V310 F320 V322 V335 Y342 L355 V356F280-M352 HydrophobicContact CD1-CB 4.33Å; F280-M352 HydrophobicContact CE1-CB 3.61Å; F280-M352 HydrophobicContact CE1-CG 4.36Å; F280-M352 HydrophobicContact CE2-CB 4.22Å; F280-M352 HydrophobicContact CE2-CG 4.17Å; F280-M352 HydrophobicContact CZ-CB 3.54Å; F280-M352 HydrophobicContact CZ-CG 3.99Å; W285-M352 HydrophobicContact CH2-CB 3.96Å; W285-M352 HydrophobicContact CH2-CG 3.57Å; W285-M352 HydrophobicContact CZ2-CG 4.49Å; W285-M352 HydrophobicContact CZ3-CG 3.8Å; V310-M352 HydrophobicContact CB-CE 4.33Å; V310-M352 HydrophobicContact CG1-CE 3.23Å; V310-M352 HydrophobicContact CG2-CE 4.15Å; F320-M352 HydrophobicContact CB-CE 3.78Å; F320-M352 HydrophobicContact CG-CE 4.24Å; V322-M352 HydrophobicContact CG2-CE 4.46Å; V335-M352 HydrophobicContact CB-CE 4.39Å; V335-M352 HydrophobicContact CG1-CE 4.24Å; V335-M352 HydrophobicContact CG1-SD 4.11Å; V335-M352 HydrophobicContact CG2-CE 4.23Å; Y342-M352 HydrophobicContact CD1-SD 3.93Å; Y342-M352 HydrophobicContact CE1-CB 4.42Å; Y342-M352 HydrophobicContact CE1-SD 4.41Å; Y342-M352 HydrophobicContact CG-SD 4.41Å; M352-L355 WeakPolarHBondContact O-CB 2.93Å; M352-L355 PolarHBondContact O-N 3.17Å; M352-L355 HydrophobicContact SD-CD1 4.15Å; M352-V356 WeakPolarHBondContact O-CG2 3.36Å; M352-V356 PolarHBondContact O-N 2.91Å
353D86.6Confident85.2Confident34 Ų3468.5 Ų68.518%0.18234%0.34CS..Hα-helixtrans-64.4-45.3174.7-71.5-71.6000112.2R283 W285 T351 L355 V356 E357R283-D353 IonicContact CZ-OD1 3.49Å; R283-D353 IonicContact CZ-OD2 2.84Å; R283-D353 IonicContact NE-OD1 2.71Å; R283-D353 IonicContact NE-OD2 3.46Å; R283-D353 IonicContact NH1-OD1 2.77Å; R283-D353 PolarHBondContact NH1-OD1 3.02Å; R283-D353 IonicContact NH1-OD2 3.95Å; R283-D353 PolarHBondContact NH1-OD2 2.55Å; R283-D353 IonicContact NH2-OD1 3.5Å; R283-D353 IonicContact NH2-OD2 3.54Å; R283-D353 PolarHBondContact NH2-OD2 2.64Å; W285-D353 WeakPolarHBondContact CZ2-OD1 3.26Å; T351-D353 VanDerWaalsContact C-N 3.27Å; T351-D353 PolarHBondContact O-N 2.97Å; D353-L355 VanDerWaalsContact C-N 3.28Å; D353-L355 PolarHBondContact O-N 2.92Å; D353-V356 PolarHBondContact O-N 2.88Å; D353-E357 WeakPolarHBondContact O-CB 3.26Å; D353-E357 WeakPolarHBondContact O-CG 3.33Å; D353-E357 PolarHBondContact O-N 2.97Å
354E85.9Confident85.4Confident87 Ų8769 Ų6941%0.40734%0.342SS..Hα-helixtrans-59.7-40.3175-78.3173.4-178.400111.8F349 N350 T351 H358F349-E354 HydrophobicContact CD1-CB 4.4Å; N350-E354 PolarHBondContact N-OE2 2.73Å; T351-E354 PolarHBondContact O-N 3.07Å; T351-E354 WeakPolarHBondContact OG1-CB 3.11Å; T351-E354 VanDerWaalsContact OG1-CG 3.28Å; T351-E354 WeakPolarHBondContact OG1-CG 2.95Å; T351-E354 PolarHBondContact OG1-N 2.93Å; E354-H358 WeakPolarHBondContact O-CB 3.21Å; E354-H358 PolarHBondContact O-N 2.85Å
355L90.3Very high85.3Confident0 Ų071.8 Ų71.80%035%0.354CS..Hα-helixtrans-58.9-51.6174.6-176.9158.7000110.2V322 V335 I344 F349 T351 M352 D353 H358 Y359V322-L355 HydrophobicContact CG2-CD2 4.4Å; V335-L355 HydrophobicContact CG1-CD1 3.7Å; V335-L355 HydrophobicContact CG2-CD1 4.07Å; I344-L355 HydrophobicContact CB-CD1 4.34Å; I344-L355 HydrophobicContact CG2-CD1 3.65Å; I344-L355 HydrophobicContact CG2-CG 4.08Å; F349-L355 HydrophobicContact CB-CB 3.98Å; F349-L355 HydrophobicContact CD1-CB 4.24Å; F349-L355 HydrophobicContact CD2-CB 3.73Å; F349-L355 HydrophobicContact CD2-CD1 3.74Å; F349-L355 HydrophobicContact CD2-CG 3.69Å; F349-L355 HydrophobicContact CE2-CB 4.28Å; F349-L355 HydrophobicContact CE2-CD1 4.24Å; F349-L355 HydrophobicContact CE2-CG 3.92Å; F349-L355 HydrophobicContact CG-CB 3.7Å; F349-L355 HydrophobicContact CG-CD1 4.46Å; F349-L355 HydrophobicContact CG-CG 4.2Å; T351-L355 PolarHBondContact O-N 3.24Å; M352-L355 WeakPolarHBondContact O-CB 2.93Å; M352-L355 PolarHBondContact O-N 3.17Å; M352-L355 HydrophobicContact SD-CD1 4.15Å; D353-L355 VanDerWaalsContact C-N 3.28Å; D353-L355 PolarHBondContact O-N 2.92Å; L355-H358 PolarHBondContact O-N 2.73Å; L355-Y359 HydrophobicContact CD2-CD2 3.91Å; L355-Y359 HydrophobicContact CD2-CE2 4.29Å; L355-Y359 HydrophobicContact CG-CD2 4.08Å; L355-Y359 HydrophobicContact CG-CE2 4.09Å; L355-Y359 WeakPolarHBondContact O-CD2 3.26Å; L355-Y359 PolarHBondContact O-N 2.83Å
356V88.1Confident85.3Confident3 Ų371.9 Ų71.92%0.01834%0.339CS..Hα-helixtrans-62.4-45.5-179.4170.60000111.3W285 F308 M352 D353 H358 Y359 K360W285-V356 HydrophobicContact CD2-CG2 4.41Å; F308-V356 HydrophobicContact CE1-CG1 4.49Å; F308-V356 HydrophobicContact CE2-CG1 3.81Å; F308-V356 HydrophobicContact CE2-CG2 4.15Å; F308-V356 HydrophobicContact CZ-CG1 3.45Å; F308-V356 VanDerWaalsContact CZ-CG1 3.45Å; M352-V356 WeakPolarHBondContact O-CG2 3.36Å; M352-V356 PolarHBondContact O-N 2.91Å; D353-V356 PolarHBondContact O-N 2.88Å; V356-H358 VanDerWaalsContact C-N 3.35Å; V356-H358 PolarHBondContact O-N 3.42Å; V356-Y359 PolarHBondContact O-N 3.22Å; V356-K360 HydrophobicContact CG1-CD 4.37Å; V356-K360 WeakPolarHBondContact O-CG 3.32Å; V356-K360 PolarHBondContact O-N 3.32Å
357E85.7Confident85.1Confident111 Ų11163.7 Ų63.752%0.51930%0.304SS..Hα-helixtrans-66.2-34.6177.8-73.9-163.2105.400113.2D353 K360D353-E357 WeakPolarHBondContact O-CB 3.26Å; D353-E357 WeakPolarHBondContact O-CG 3.33Å; D353-E357 PolarHBondContact O-N 2.97Å; E357-K360 WeakPolarHBondContact O-CB 3.09Å; E357-K360 PolarHBondContact O-N 3.18Å
358H86.6Confident84.6Confident59 Ų5966.8 Ų66.827%0.27332%0.324SS..Hα-helixtrans-64.1-48.8174.7-175.984.5000110.7R347 F349 E354 L355 V356 K360 K361 A362R347-H358 PolarHBondContact NH1-CE1 3.07Å; R347-H358 PolarHBondContact NH1-NE2 2.89Å; F349-H358 HydrophobicContact CD1-CB 4.37Å; F349-H358 HydrophobicContact CE1-CB 3.47Å; F349-H358 VanDerWaalsContact CE1-CB 3.47Å; F349-H358 AromaticContact CE1-CD2 3.82Å; F349-H358 AromaticContact CE1-CG 3.52Å; F349-H358 HydrophobicContact CZ-CB 3.99Å; F349-H358 AromaticContact CZ-CD2 3.61Å; F349-H358 AromaticContact CZ-CG 3.81Å; E354-H358 WeakPolarHBondContact O-CB 3.21Å; E354-H358 PolarHBondContact O-N 2.85Å; L355-H358 PolarHBondContact O-N 2.73Å; V356-H358 VanDerWaalsContact C-N 3.35Å; V356-H358 PolarHBondContact O-N 3.42Å; H358-K360 VanDerWaalsContact C-N 3.26Å; H358-K360 PolarHBondContact O-N 2.82Å; H358-K361 PolarHBondContact O-N 2.82Å; H358-A362 WeakPolarHBondContact O-CB 3.44Å; H358-A362 PolarHBondContact O-N 3.27Å
359Y86.9Confident83.8Confident12 Ų1266.6 Ų66.65%0.04733%0.33CS..Hα-helixtrans-79.5-5.1-178.2-70.5-67000114.8I344 R347 F349 L355 V356 A362 I364 L375I344-Y359 HydrophobicContact CD1-CE2 4.38Å; I344-Y359 HydrophobicContact CG2-CE2 3.46Å; I344-Y359 VanDerWaalsContact CG2-CE2 3.46Å; I344-Y359 WeakPolarHBondContact CG2-OH 3.47Å; R347-Y359 WeakPolarHBondContact CD-OH 3.2Å; F349-Y359 AromaticContact CE2-CE2 3.6Å; F349-Y359 HydrophobicContact CE2-CE2 3.6Å; F349-Y359 HydrophobicContact CZ-CD2 4.34Å; F349-Y359 AromaticContact CZ-CE2 3.64Å; F349-Y359 HydrophobicContact CZ-CE2 3.64Å; L355-Y359 HydrophobicContact CD2-CD2 3.91Å; L355-Y359 HydrophobicContact CD2-CE2 4.29Å; L355-Y359 HydrophobicContact CG-CD2 4.08Å; L355-Y359 HydrophobicContact CG-CE2 4.09Å; L355-Y359 WeakPolarHBondContact O-CD2 3.26Å; L355-Y359 PolarHBondContact O-N 2.83Å; V356-Y359 PolarHBondContact O-N 3.22Å; Y359-A362 CarbonylContact C-O 3.51Å; Y359-A362 VanDerWaalsContact CA-O 3.25Å; Y359-A362 WeakPolarHBondContact CA-O 3.26Å; Y359-I364 HydrophobicContact CD1-CB 3.52Å; Y359-I364 HydrophobicContact CD1-CD1 4.45Å; Y359-I364 HydrophobicContact CD1-CG1 3.79Å; Y359-I364 HydrophobicContact CD2-CD1 4.36Å; Y359-I364 HydrophobicContact CD2-CG1 4.43Å; Y359-I364 HydrophobicContact CE1-CB 4.02Å; Y359-I364 HydrophobicContact CE1-CG1 3.93Å; Y359-I364 HydrophobicContact CG-CB 3.95Å; Y359-I364 HydrophobicContact CG-CD1 4.18Å; Y359-I364 HydrophobicContact CG-CG1 4.02Å; Y359-L375 PolarHBondContact O-N 2.91Å
360K85.5Confident83.1Confident99 Ų9968.1 Ų68.143%0.4335%0.35SS..Hα-helixtrans-68.9-33.8159.6-84.3168.9174.3-170.30112.2V356 E357 H358 L375V356-K360 HydrophobicContact CG1-CD 4.37Å; V356-K360 WeakPolarHBondContact O-CG 3.32Å; V356-K360 PolarHBondContact O-N 3.32Å; E357-K360 WeakPolarHBondContact O-CB 3.09Å; E357-K360 PolarHBondContact O-N 3.18Å; H358-K360 VanDerWaalsContact C-N 3.26Å; H358-K360 PolarHBondContact O-N 2.82Å; K360-L375 WeakPolarHBondContact CA-O 3.1Å; K360-L375 HydrophobicContact CG-CB 4.43Å; K360-L375 WeakPolarHBondContact CG-O 3.34Å
361K83.1Confident82.7Confident176 Ų17668 Ų6877%0.76535%0.346SS*.Hα-helixtrans-100.6-31.6-176-63.7173.9-176168.50113H358H358-K361 PolarHBondContact O-N 2.82Å
362A83.8Confident82.5Confident21 Ų2171 Ų7117%0.17435%0.354CS..SBendtrans-113.5145.1179.900000110.5H358 Y359 I364H358-A362 WeakPolarHBondContact O-CB 3.44Å; H358-A362 PolarHBondContact O-N 3.27Å; Y359-A362 CarbonylContact C-O 3.51Å; Y359-A362 VanDerWaalsContact CA-O 3.25Å; Y359-A362 WeakPolarHBondContact CA-O 3.26Å; A362-I364 PolarHBondContact O-N 3.49Å
363P85.6Confident82.5Confident43 Ų4372 Ų7228%0.27936%0.36SS..  trans-68.3130.9-179.428.2-33.9000111F365 K372 L373 Y374P363-F365 VanDerWaalsContact C-N 3.31Å; P363-K372 HydrophobicContact CB-CB 3.92Å; P363-K372 HydrophobicContact CB-CG 4.2Å; P363-K372 HydrophobicContact CG-CD 4.29Å; P363-K372 HydrophobicContact CG-CG 4.39Å; P363-L373 CarbonylContact C-O 3.24Å; P363-L373 WeakPolarHBondContact CA-O 3.22Å; P363-Y374 HydrophobicContact CB-CD1 4.37Å; P363-Y374 HydrophobicContact CB-CE1 3.95Å; P363-Y374 HydrophobicContact CB-CE2 4.32Å; P363-Y374 HydrophobicContact CG-CE1 4.33Å; P363-Y374 VanDerWaalsContact N-CE1 3.34Å
364I85.5Confident82.5Confident20 Ų2074 Ų7410%0.10337%0.365CS..SBendtrans-75.9-25.5173.4-164.9168000111.7V322 L324 F333 I344 Y359 A362 L373 L375V322-I364 HydrophobicContact CG1-CD1 4.39Å; L324-I364 HydrophobicContact CD2-CG2 3.69Å; F333-I364 HydrophobicContact CB-CD1 4.39Å; F333-I364 HydrophobicContact CD1-CG1 4.31Å; F333-I364 HydrophobicContact CD2-CD1 3.66Å; F333-I364 HydrophobicContact CD2-CG1 4.13Å; F333-I364 HydrophobicContact CE1-CG1 4.37Å; F333-I364 HydrophobicContact CE2-CD1 4.03Å; F333-I364 HydrophobicContact CE2-CG1 4.19Å; F333-I364 HydrophobicContact CE2-CG2 3.88Å; F333-I364 HydrophobicContact CG-CD1 3.96Å; F333-I364 HydrophobicContact CG-CG1 4.19Å; F333-I364 HydrophobicContact CZ-CG1 4.31Å; F333-I364 HydrophobicContact CZ-CG2 3.97Å; I344-I364 HydrophobicContact CD1-CD1 3.71Å; I344-I364 HydrophobicContact CD1-CG1 4.06Å; Y359-I364 HydrophobicContact CD1-CB 3.52Å; Y359-I364 HydrophobicContact CD1-CD1 4.45Å; Y359-I364 HydrophobicContact CD1-CG1 3.79Å; Y359-I364 HydrophobicContact CD2-CD1 4.36Å; Y359-I364 HydrophobicContact CD2-CG1 4.43Å; Y359-I364 HydrophobicContact CE1-CB 4.02Å; Y359-I364 HydrophobicContact CE1-CG1 3.93Å; Y359-I364 HydrophobicContact CG-CB 3.95Å; Y359-I364 HydrophobicContact CG-CD1 4.18Å; Y359-I364 HydrophobicContact CG-CG1 4.02Å; A362-I364 PolarHBondContact O-N 3.49Å; I364-L373 HydrophobicContact CG2-CB 4.38Å; I364-L373 PolarHBondContact N-O 2.85Å; I364-L375 HydrophobicContact CD1-CD1 4.37Å; I364-L375 HydrophobicContact CD1-CD2 3.99Å; I364-L375 HydrophobicContact CD1-CG 4.28Å; I364-L375 HydrophobicContact CG2-CD2 4.4Å
365F83.4Confident82.7Confident69 Ų6969.9 Ų69.930%0.30335%0.346SS..EExtended strand (participates in β ladder)trans-144.6141.4176.2179.6-97.3000110F333 P363 K372 L373F333-F365 HydrophobicContact CE1-CB 3.98Å; F333-F365 HydrophobicContact CE1-CD2 4.34Å; F333-F365 HydrophobicContact CZ-CB 3.74Å; F333-F365 HydrophobicContact CZ-CG 4.44Å; P363-F365 VanDerWaalsContact C-N 3.31Å; F365-K372 WeakPolarHBondContact O-CA 3.4Å; F365-L373 HydrophobicContact CB-CB 4.23Å; F365-L373 HydrophobicContact CB-CD1 4.23Å; F365-L373 HydrophobicContact CD1-CD1 3.82Å; F365-L373 HydrophobicContact CD1-CG 4.26Å; F365-L373 HydrophobicContact CG-CD1 4.38Å; F365-L373 PolarHBondContact O-N 3.41Å
366T80.5Confident82.3Confident78 Ų7874.2 Ų74.248%0.47937%0.372SS..EExtended strand (participates in β ladder)trans-125.4120.2170.7-55.40000107.8E371 K372T366-E371 CarbonylContact C-O 3.51Å; T366-E371 VanDerWaalsContact CA-O 3.3Å; T366-E371 WeakPolarHBondContact CA-O 2.94Å; T366-K372 HydrophobicContact CG2-CG 4.07Å
367S74.5Confident82.2Confident27 Ų2778.8 Ų78.819%0.18939%0.391CS..  trans-72.9156.1175.6-168.70000110.5H369 G370 E371S367-H369 PolarHBondContact O-N 3.07Å; S367-G370 PolarHBondContact O-N 3.11Å; S367-E371 PolarHBondContact N-O 3.32Å
368E69.6Low82.1Confident196 Ų19674.1 Ų74.192%0.91637%0.372SS*.THydrogen-bonded Turntrans-61.2-25.1175.2-67.3-175.797.200112.3G370E368-G370 PolarHBondContact O-N 3.47Å
369H71Confident81.8Confident169 Ų16971.3 Ų71.378%0.78236%0.359SS*.THydrogen-bonded Turntrans-81.53.3174-59.1-64000113.9S367S367-H369 PolarHBondContact O-N 3.07Å
370G75.6Confident80.9Confident48 Ų4876.9 Ų76.950%0.49539%0.385SS..SBendtrans88.11.8177.600000115.3S367 E368 K372S367-G370 PolarHBondContact O-N 3.11Å; E368-G370 PolarHBondContact O-N 3.47Å; G370-K372 PolarHBondContact O-N 3.43Å
371E77.3Confident80.7Confident118 Ų11875.8 Ų75.855%0.55138%0.383SS*.  trans-67.7129.2175.2-60.7176.3104.400110.7T366 S367T366-E371 CarbonylContact C-O 3.51Å; T366-E371 VanDerWaalsContact CA-O 3.3Å; T366-E371 WeakPolarHBondContact CA-O 2.94Å; S367-E371 PolarHBondContact N-O 3.32Å
372K83.4Confident80.6Confident120 Ų12070.5 Ų70.552%0.52236%0.363SS..EExtended strand (participates in β ladder)trans-114122.1-177.4-72.1178.4-173.2175.80109.2P363 F365 T366 G370 Y374P363-K372 HydrophobicContact CB-CB 3.92Å; P363-K372 HydrophobicContact CB-CG 4.2Å; P363-K372 HydrophobicContact CG-CD 4.29Å; P363-K372 HydrophobicContact CG-CG 4.39Å; F365-K372 WeakPolarHBondContact O-CA 3.4Å; T366-K372 HydrophobicContact CG2-CG 4.07Å; G370-K372 PolarHBondContact O-N 3.43Å; K372-Y374 HydrophobicContact CB-CD2 4.39Å; K372-Y374 HydrophobicContact CB-CE2 3.47Å; K372-Y374 VanDerWaalsContact CB-CE2 3.47Å; K372-Y374 WeakPolarHBondContact CD-OH 3.29Å; K372-Y374 WeakPolarHBondContact O-CD2 3.45Å; K372-Y374 WeakPolarHBondContact O-CE2 3.43Å
373L82.8Confident80.4Confident23 Ų2373.2 Ų73.212%0.1237%0.373CS..EExtended strand (participates in β ladder)trans-99.3135.9177-60.6178.6000109.9L324 A326 K331 P363 I364 F365L324-L373 HydrophobicContact CD2-CB 3.82Å; L324-L373 HydrophobicContact CD2-CD1 4.3Å; A326-L373 HydrophobicContact CB-CD1 3.94Å; A326-L373 HydrophobicContact CB-CD2 4.06Å; K331-L373 HydrophobicContact CG-CD1 3.99Å; P363-L373 CarbonylContact C-O 3.24Å; P363-L373 WeakPolarHBondContact CA-O 3.22Å; I364-L373 HydrophobicContact CG2-CB 4.38Å; I364-L373 PolarHBondContact N-O 2.85Å; F365-L373 HydrophobicContact CB-CB 4.23Å; F365-L373 HydrophobicContact CB-CD1 4.23Å; F365-L373 HydrophobicContact CD1-CD1 3.82Å; F365-L373 HydrophobicContact CD1-CG 4.26Å; F365-L373 HydrophobicContact CG-CD1 4.38Å; F365-L373 PolarHBondContact O-N 3.41Å
374Y88.3Confident80.1Confident76 Ų7675 Ų7530%0.29838%0.379SS..  trans-126.4153.6-179.2-60.1-98.1000109.2P363 K372 V376P363-Y374 HydrophobicContact CB-CD1 4.37Å; P363-Y374 HydrophobicContact CB-CE1 3.95Å; P363-Y374 HydrophobicContact CB-CE2 4.32Å; P363-Y374 HydrophobicContact CG-CE1 4.33Å; P363-Y374 VanDerWaalsContact N-CE1 3.34Å; K372-Y374 HydrophobicContact CB-CD2 4.39Å; K372-Y374 HydrophobicContact CB-CE2 3.47Å; K372-Y374 VanDerWaalsContact CB-CE2 3.47Å; K372-Y374 WeakPolarHBondContact CD-OH 3.29Å; K372-Y374 WeakPolarHBondContact O-CD2 3.45Å; K372-Y374 WeakPolarHBondContact O-CE2 3.43Å; Y374-V376 PolarHBondContact O-N 3.05Å
375L88.6Confident79.7Confident0 Ų078.4 Ų78.40%040%0.396CS..  trans-78.893.2168.3-59.4-172.5000107.4F308 V322 L324 Y359 K360 I364F308-L375 HydrophobicContact CB-CD2 3.76Å; F308-L375 HydrophobicContact CD1-CB 3.6Å; F308-L375 HydrophobicContact CD1-CD2 4.15Å; F308-L375 HydrophobicContact CD1-CG 4.33Å; F308-L375 HydrophobicContact CD2-CD1 4.19Å; F308-L375 HydrophobicContact CD2-CD2 4.17Å; F308-L375 HydrophobicContact CE1-CB 3.7Å; F308-L375 HydrophobicContact CE2-CD1 4.23Å; F308-L375 HydrophobicContact CG-CB 4.05Å; F308-L375 HydrophobicContact CG-CD1 4.45Å; F308-L375 HydrophobicContact CG-CD2 3.76Å; F308-L375 HydrophobicContact CG-CG 4.28Å; F308-L375 HydrophobicContact CZ-CB 4.22Å; V322-L375 HydrophobicContact CG1-CD1 4.23Å; V322-L375 HydrophobicContact CG1-CD2 3.76Å; L324-L375 HydrophobicContact CD1-CD2 4.04Å; L324-L375 HydrophobicContact CD2-CD2 4.33Å; Y359-L375 PolarHBondContact O-N 2.91Å; K360-L375 WeakPolarHBondContact CA-O 3.1Å; K360-L375 HydrophobicContact CG-CB 4.43Å; K360-L375 WeakPolarHBondContact CG-O 3.34Å; I364-L375 HydrophobicContact CD1-CD1 4.37Å; I364-L375 HydrophobicContact CD1-CD2 3.99Å; I364-L375 HydrophobicContact CD1-CG 4.28Å; I364-L375 HydrophobicContact CG2-CD2 4.4Å
376V83.6Confident79.5Confident90 Ų9079.1 Ų79.155%0.54540%0.403SS..  trans-78.8-59.6-171.8178.10000110.6G306 Y374G306-V376 WeakPolarHBondContact O-CB 3.5Å; G306-V376 PolarHBondContact O-N 3.49Å; Y374-V376 PolarHBondContact O-N 3.05Å
377K84.1Confident79.4Confident99 Ų9979.1 Ų79.143%0.4340%0.397SS..EExtended strand (participates in β ladder)trans-143.5155.3178.362.9173.4-174.7170.40111.3D307 F308D307-K377 VanDerWaalsContact CA-O 3.31Å; D307-K377 WeakPolarHBondContact CA-O 3.46Å; D307-K377 WeakPolarHBondContact OD1-CE 3.34Å; D307-K377 WeakPolarHBondContact OD1-CG 3.31Å; D307-K377 IonicContact OD1-NZ 3.99Å; D307-K377 WeakPolarHBondContact OD2-CE 3.46Å; D307-K377 IonicContact OD2-NZ 3.75Å; F308-K377 WeakPolarHBondContact CD1-O 3.43Å; F308-K377 WeakPolarHBondContact CE1-O 3.39Å; F308-K377 PolarHBondContact N-O 3.09Å
378A85.1Confident79.8Confident13 Ų1383.2 Ų83.211%0.10741%0.413CS..EExtended strand (participates in β ladder)trans-62.7142.4170.400000109.2E284 W285 F308 Q380E284-A378 HydrophobicContact CB-CB 4.24Å; W285-A378 HydrophobicContact CB-CB 3.83Å; F308-A378 CarbonylContact O-C 3.49Å; F308-A378 WeakPolarHBondContact O-CA 3.46Å; A378-Q380 PolarHBondContact O-N 2.92Å
379L80.1Confident80.7Confident0 Ų073.8 Ų73.80%037%0.371CS..  trans-57.5137.4168.2-172.965.5000108.5Y287 A298 L299 R302 G303 D307 F308 L309Y287-L379 HydrophobicContact CE2-CB 4.37Å; Y287-L379 PolarHBondContact OH-O 3.49Å; A298-L379 HydrophobicContact CB-CD2 3.67Å; L299-L379 HydrophobicContact CD2-CB 4.37Å; L299-L379 HydrophobicContact CD2-CD1 4.23Å; L299-L379 HydrophobicContact CD2-CD2 4.08Å; L299-L379 HydrophobicContact CD2-CG 4.47Å; L299-L379 HydrophobicContact CG-CD2 4.33Å; R302-L379 HydrophobicContact CB-CD1 4.19Å; G303-L379 VanDerWaalsContact CA-CD1 3.43Å; D307-L379 HydrophobicContact CB-CD1 4.42Å; F308-L379 PolarHBondContact O-N 3.45Å; L309-L379 HydrophobicContact CB-CB 4.45Å; L309-L379 HydrophobicContact CD2-CD2 3.74Å
380Q68.1Low81.5Confident129 Ų12965.1 Ų65.160%0.60333%0.334SS*.  trans-117.80179.8-67.8-81.2-47.100109.9E284 A378E284-Q380 PolarHBondContact OE1-NE2 3.25Å; E284-Q380 VanDerWaalsContact OE1-NE2 3.11Å; A378-Q380 PolarHBondContact O-N 2.92Å

Retrieved 380 of 380 residues in 203.7 ms (Link to these results)

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