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Abasic site processing protein HMCES

Sensor of abasic sites in single-stranded DNA (ssDNA) required to preserve genome integrity by promoting error-free repair of abasic sites. Acts as an enzyme that recognizes and binds abasic sites in ssDNA at replication forks and chemically modifies the lesion by forming a covalent cross-link with DNA: forms a stable thiazolidine linkage between a ring-opened abasic site and the alpha-amino and sulfhydryl substituents of its N-terminal catalytic cysteine residue. The HMCES DNA-protein cross-link is then either reversed or degraded. HMCES is able to catalyze the reversal of its thiazolidine cross-link and cycle between a cross-link and a non-cross-linked state depending on DNA context: mediates self-reversal of the thiazolidine cross-link in double stranded DNA, allowing APEX1 to initiate downstream repair of abasic sites. The HMCES DNA-protein cross-link can also be degraded by the SPRTN metalloprotease following unfolding by the BRIP1/FANCJ helicase. Acts as a protease: mediates autocatalytic processing of its N-terminal methionine in order to expose the catalytic cysteine.

AlphaFold DB , UniProt , Accession A0A060W3C7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene hmces, Length 363 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	71.8	Confident	94.5	Very high	90 Å²	90	22.4 Å²	22.4	44%	0.443	14%	0.14	S	C	.	.				0	127.7	0	-83.8	-159.1	-67.7	0	0	105.1	G3 N98 E129 T221 H232 R234	M1-G3 PolarHBondContact O-N 2.95Å; M1-N98 HydrophobicContact SD-CB 3.95Å; M1-E129 WeakPolarHBondContact CA-OE2 3.16Å; M1-E129 PolarHBondContact N-OE2 2.82Å; M1-T221 HydrophobicContact CG-CG2 4.46Å; M1-T221 HydrophobicContact SD-CG2 4.33Å; M1-H232 PolarHBondContact N-CE1 3.27Å; M1-H232 PolarHBondContact N-NE2 3.49Å; M1-R234 HydrophobicContact CG-CB 4.05Å; M1-R234 HydrophobicContact CG-CG 4.27Å
2	C	85.3	Confident	94.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.163	C	C	.	.			trans	-53.2	112.4	-176.5	169	0	0	0	0	111.7	N98 F127 E129 P236	C2-N98 PolarHBondContact O-ND2 3.36Å; C2-N98 PolarHBondContact O-OD1 2.9Å; C2-F127 HydrophobicContact CB-CD2 3.77Å; C2-F127 HydrophobicContact CB-CE2 4.31Å; C2-F127 HydrophobicContact CB-CG 4.37Å; C2-F127 WeakPolarHBondContact SG-CB 3.41Å; C2-E129 PolarHBondContact N-OE2 3.45Å; C2-P236 HydrophobicContact CB-CG 4.38Å
3	G	96	Very high	95	Very high	24 Å²	24	29.9 Å²	29.9	25%	0.247	17%	0.174	C	C	.	.			trans	-125.5	14.7	178.5	0	0	0	0	0	113	M1 P48	M1-G3 PolarHBondContact O-N 2.95Å; G3-P48 WeakPolarHBondContact O-CD 3.47Å
4	R	98.6	Very high	95.2	Very high	32 Å²	32	27.8 Å²	27.8	12%	0.121	16%	0.161	C	C	.	.			trans	-153.1	137.7	176	-154.2	78	66.6	77.5	1.5	111.2	N45 K46 F127 Y128 W130 V278 N279	R4-N45 WeakPolarHBondContact CD-OD1 3.46Å; R4-N45 WeakPolarHBondContact CG-OD1 3.36Å; R4-N45 PolarHBondContact NH1-ND2 3.31Å; R4-N45 PolarHBondContact NH1-OD1 3.47Å; R4-K46 WeakPolarHBondContact CA-O 3.24Å; R4-K46 WeakPolarHBondContact CD-O 3.45Å; R4-K46 WeakPolarHBondContact CG-O 3.43Å; R4-F127 WeakPolarHBondContact O-CA 3.43Å; R4-F127 WeakPolarHBondContact O-CB 3.4Å; R4-Y128 HydrophobicContact CB-CD2 3.75Å; R4-Y128 HydrophobicContact CB-CG 4.35Å; R4-Y128 HydrophobicContact CG-CD2 3.58Å; R4-Y128 HydrophobicContact CG-CE2 4.14Å; R4-Y128 HydrophobicContact CG-CG 4.43Å; R4-Y128 PolarHBondContact O-N 2.87Å; R4-W130 HydrophobicContact CB-CH2 3.78Å; R4-W130 HydrophobicContact CB-CZ3 3.97Å; R4-W130 HydrophobicContact CG-CH2 4.22Å; R4-V278 PolarHBondContact NH1-O 3.34Å; R4-N279 PolarHBondContact NH2-O 2.71Å
5	T	98.8	Very high	95.4	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.018	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	163.2	174.4	60.4	0	0	0	0	111.5	N45 K46 W77 A124 G126 F127	T5-N45 CarbonylContact O-C 3.5Å; T5-K46 PolarHBondContact N-O 3.48Å; T5-K46 PolarHBondContact O-N 3.21Å; T5-K46 WeakPolarHBondContact OG1-CB 3.45Å; T5-W77 HydrophobicContact CG2-CH2 3.98Å; T5-W77 HydrophobicContact CG2-CZ3 4.03Å; T5-A124 HydrophobicContact CG2-CB 4.34Å; T5-G126 WeakPolarHBondContact CA-O 3.38Å; T5-G126 WeakPolarHBondContact CB-O 3.24Å; T5-F127 HydrophobicContact CG2-CB 3.96Å
6	A	98.8	Very high	95.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	142.2	161.8	0	0	0	0	0	108.6	Y44 A124 D125 G126 Y128 F141 L289	A6-Y44 WeakPolarHBondContact CB-O 3.35Å; A6-A124 CarbonylContact O-C 3.48Å; A6-A124 WeakPolarHBondContact O-CA 3.35Å; A6-A124 WeakPolarHBondContact O-CB 3.45Å; A6-D125 HydrophobicContact CB-CB 4.32Å; A6-D125 PolarHBondContact O-N 2.98Å; A6-G126 PolarHBondContact N-O 3.03Å; A6-Y128 HydrophobicContact CB-CE2 4.21Å; A6-F141 HydrophobicContact CB-CE2 3.91Å; A6-F141 HydrophobicContact CB-CZ 4.32Å; A6-L289 HydrophobicContact CB-CD1 4.36Å; A6-L289 HydrophobicContact CB-CD2 3.81Å; A6-L289 HydrophobicContact CB-CG 4.5Å
7	C	98.5	Very high	95.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	93.2	170.6	-171	0	0	0	0	106.9	Y40 P42 S43 P53 D125	C7-Y40 PolarHBondContact O-OH 3.16Å; C7-Y40 PolarHBondContact SG-OH 3.33Å; C7-P42 CarbonylContact O-C 3.53Å; C7-P42 VanDerWaalsContact O-CA 3.3Å; C7-P42 WeakPolarHBondContact O-CA 3.45Å; C7-S43 CarbonylContact C-O 3.54Å; C7-S43 PolarHBondContact N-O 2.94Å; C7-S43 PolarHBondContact O-N 3.01Å; C7-P53 VanDerWaalsContact SG-CG 3.56Å; C7-D125 WeakPolarHBondContact CA-OD2 3.34Å
8	T	98.4	Very high	95.6	Very high	30 Å²	30	28.8 Å²	28.8	18%	0.184	16%	0.162	C	C	.	.			trans	-106.2	-14.6	-162.8	59.2	0	0	0	0	113.5	P42 Y44 D125 L289	T8-P42 WeakPolarHBondContact O-CB 3.41Å; T8-Y44 HydrophobicContact CG2-CD1 3.33Å; T8-Y44 HydrophobicContact CG2-CD2 4.15Å; T8-Y44 HydrophobicContact CG2-CE1 3.42Å; T8-Y44 VanDerWaalsContact CG2-CE1 3.42Å; T8-Y44 HydrophobicContact CG2-CE2 4.23Å; T8-Y44 HydrophobicContact CG2-CG 3.69Å; T8-D125 WeakPolarHBondContact CB-OD2 3.49Å; T8-D125 WeakPolarHBondContact CG2-OD2 3.43Å; T8-D125 PolarHBondContact N-OD1 2.93Å; T8-D125 PolarHBondContact N-OD2 2.88Å; T8-D125 PolarHBondContact OG1-OD2 3.2Å; T8-L289 HydrophobicContact CG2-CD1 4.35Å
9	L	98.2	Very high	95.6	Very high	10 Å²	10	29.5 Å²	29.5	5%	0.052	16%	0.163	C	C	.	.	S	Bend	trans	-61	143.5	174.6	-64.3	-169.7	0	0	0	111.5	E13 V14 A17 Y40 P42 W190 W193 L195	L9-E13 HydrophobicContact CB-CB 3.81Å; L9-E13 HydrophobicContact CD1-CB 4.34Å; L9-E13 HydrophobicContact CD2-CB 4.36Å; L9-E13 HydrophobicContact CG-CB 4.39Å; L9-V14 HydrophobicContact CB-CG2 3.81Å; L9-A17 HydrophobicContact CD1-CB 3.85Å; L9-Y40 VanDerWaalsContact O-CE1 3.28Å; L9-Y40 WeakPolarHBondContact O-CE1 3.15Å; L9-Y40 PolarHBondContact O-OH 3.49Å; L9-P42 WeakPolarHBondContact O-CG 3.5Å; L9-W190 HydrophobicContact CD1-CH2 4.38Å; L9-W190 HydrophobicContact CD1-CZ2 3.88Å; L9-W190 HydrophobicContact CD2-CZ2 4.47Å; L9-W193 HydrophobicContact CD2-CB 4.48Å; L9-L195 HydrophobicContact CD1-CD1 4.11Å; L9-L195 HydrophobicContact CD1-CD2 3.81Å; L9-L195 HydrophobicContact CD1-CG 3.99Å; L9-L195 HydrophobicContact CG-CD2 4.34Å
10	A	98	Very high	95.6	Very high	34 Å²	34	28.9 Å²	28.9	28%	0.281	16%	0.159	S	C	.	.			trans	-65.4	165.3	170.4	0	0	0	0	0	111.8	D12 E13 V14	A10-D12 VanDerWaalsContact C-N 3.31Å; A10-D12 VanDerWaalsContact CB-OD1 3.3Å; A10-D12 WeakPolarHBondContact CB-OD1 3.33Å; A10-D12 PolarHBondContact O-N 3.19Å; A10-E13 HydrophobicContact CB-CB 4.45Å; A10-E13 HydrophobicContact CB-CG 4.28Å; A10-E13 WeakPolarHBondContact CB-OE2 2.96Å; A10-E13 PolarHBondContact N-OE2 3.18Å; A10-E13 WeakPolarHBondContact O-CB 3.48Å; A10-E13 PolarHBondContact O-N 3.09Å; A10-E13 VanDerWaalsContact O-N 3.1Å; A10-V14 WeakPolarHBondContact O-CG2 3.45Å; A10-V14 PolarHBondContact O-N 3.02Å
11	A	97.6	Very high	95.5	Very high	23 Å²	23	33.2 Å²	33.2	19%	0.19	17%	0.173	C	C	.	.	H	α-helix	trans	-58.8	-40.6	-175.2	0	0	0	0	0	113.1	S15 W32 Y40	A11-S15 PolarHBondContact O-N 2.85Å; A11-W32 HydrophobicContact CB-CZ2 3.85Å; A11-W32 WeakPolarHBondContact O-CZ2 3.41Å; A11-W32 PolarHBondContact O-NE1 3.11Å; A11-Y40 HydrophobicContact CB-CD1 3.95Å
12	D	96.8	Very high	96.4	Very high	79 Å²	79	29.9 Å²	29.9	42%	0.422	16%	0.157	S	C	.	.	H	α-helix	trans	-69.9	-36.9	176.3	65.6	-56.7	0	0	0	111.9	A10 S15 R16	A10-D12 VanDerWaalsContact C-N 3.31Å; A10-D12 VanDerWaalsContact CB-OD1 3.3Å; A10-D12 WeakPolarHBondContact CB-OD1 3.33Å; A10-D12 PolarHBondContact O-N 3.19Å; D12-S15 WeakPolarHBondContact O-CB 3.33Å; D12-S15 PolarHBondContact O-N 2.75Å; D12-R16 PolarHBondContact O-N 2.95Å; D12-R16 IonicContact OD2-CZ 3.88Å; D12-R16 IonicContact OD2-NH1 3.2Å; D12-R16 PolarHBondContact OD2-NH1 2.9Å; D12-R16 IonicContact OD2-NH2 2.72Å; D12-R16 PolarHBondContact OD2-NH2 3.09Å
13	E	97.7	Very high	96.5	Very high	64 Å²	64	35.4 Å²	35.4	30%	0.299	18%	0.177	S	C	.	.	H	α-helix	trans	-65.7	-41.4	174.3	-70.1	180	125.4	0	0	112.2	L9 A10 S15 R16 A17 W190	L9-E13 HydrophobicContact CB-CB 3.81Å; L9-E13 HydrophobicContact CD1-CB 4.34Å; L9-E13 HydrophobicContact CD2-CB 4.36Å; L9-E13 HydrophobicContact CG-CB 4.39Å; A10-E13 HydrophobicContact CB-CB 4.45Å; A10-E13 HydrophobicContact CB-CG 4.28Å; A10-E13 WeakPolarHBondContact CB-OE2 2.96Å; A10-E13 PolarHBondContact N-OE2 3.18Å; A10-E13 WeakPolarHBondContact O-CB 3.48Å; A10-E13 PolarHBondContact O-N 3.09Å; A10-E13 VanDerWaalsContact O-N 3.1Å; E13-S15 VanDerWaalsContact C-N 3.28Å; E13-S15 PolarHBondContact O-N 2.84Å; E13-R16 PolarHBondContact O-N 3.36Å; E13-A17 WeakPolarHBondContact O-CB 3.34Å; E13-A17 PolarHBondContact O-N 3.25Å; E13-W190 HydrophobicContact CB-CH2 4.08Å; E13-W190 HydrophobicContact CG-CH2 4.28Å
14	V	98.3	Very high	96.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.1	-42.1	173.2	172.5	0	0	0	0	110.6	L9 A10 A17 S18 W32 Y40 P53 L72 L123	L9-V14 HydrophobicContact CB-CG2 3.81Å; A10-V14 WeakPolarHBondContact O-CG2 3.45Å; A10-V14 PolarHBondContact O-N 3.02Å; V14-A17 PolarHBondContact O-N 3.47Å; V14-S18 WeakPolarHBondContact O-CB 3.39Å; V14-S18 PolarHBondContact O-N 3.41Å; V14-S18 VanDerWaalsContact O-N 3.08Å; V14-S18 PolarHBondContact O-OG 3.22Å; V14-W32 HydrophobicContact CB-CZ2 4.04Å; V14-W32 HydrophobicContact CG1-CH2 4.39Å; V14-W32 HydrophobicContact CG1-CZ2 4.06Å; V14-Y40 HydrophobicContact CG2-CE1 3.88Å; V14-P53 HydrophobicContact CG1-CB 4.03Å; V14-P53 HydrophobicContact CG1-CG 4.3Å; V14-L72 HydrophobicContact CG1-CD1 4.07Å; V14-L72 HydrophobicContact CG1-CD2 4.09Å; V14-L123 HydrophobicContact CG1-CD1 3.84Å
15	S	97.7	Very high	95.8	Very high	9 Å²	9	37.4 Å²	37.4	6%	0.063	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-46.7	176.1	-179.6	0	0	0	0	112	A11 D12 E13 S18 Q29 P30	A11-S15 PolarHBondContact O-N 2.85Å; D12-S15 WeakPolarHBondContact O-CB 3.33Å; D12-S15 PolarHBondContact O-N 2.75Å; E13-S15 VanDerWaalsContact C-N 3.28Å; E13-S15 PolarHBondContact O-N 2.84Å; S15-S18 PolarHBondContact O-N 2.99Å; S15-S18 PolarHBondContact O-OG 3.03Å; S15-Q29 WeakPolarHBondContact O-CG 3.21Å; S15-Q29 WeakPolarHBondContact OG-CG 3.43Å; S15-Q29 PolarHBondContact OG-NE2 3.02Å; S15-P30 PolarHBondContact OG-O 2.98Å
16	R	97	Very high	95.5	Very high	88 Å²	88	42.5 Å²	42.5	33%	0.332	23%	0.232	S	C	.	.	H	α-helix	trans	-64.6	-40.8	175.3	-69.6	-169.5	-64.8	-88.4	-0.7	112.9	D12 E13 S18 Q19 W190	D12-R16 PolarHBondContact O-N 2.95Å; D12-R16 IonicContact OD2-CZ 3.88Å; D12-R16 IonicContact OD2-NH1 3.2Å; D12-R16 PolarHBondContact OD2-NH1 2.9Å; D12-R16 IonicContact OD2-NH2 2.72Å; D12-R16 PolarHBondContact OD2-NH2 3.09Å; E13-R16 PolarHBondContact O-N 3.36Å; R16-S18 PolarHBondContact O-N 3.12Å; R16-Q19 VanDerWaalsContact O-CG 3.24Å; R16-Q19 WeakPolarHBondContact O-CG 3.44Å; R16-Q19 PolarHBondContact O-N 3.03Å; R16-W190 HydrophobicContact CB-CE3 3.69Å; R16-W190 HydrophobicContact CB-CZ3 4.02Å
17	A	96.8	Very high	95.3	Very high	22 Å²	22	45.6 Å²	45.6	18%	0.182	24%	0.244	C	C	.	.	H	α-helix	trans	-71.4	-14.4	-179.7	0	0	0	0	0	114.1	L9 E13 V14 W190 L195	L9-A17 HydrophobicContact CD1-CB 3.85Å; E13-A17 WeakPolarHBondContact O-CB 3.34Å; E13-A17 PolarHBondContact O-N 3.25Å; V14-A17 PolarHBondContact O-N 3.47Å; A17-W190 HydrophobicContact CB-CD2 3.97Å; A17-W190 VanDerWaalsContact CB-CE2 3.48Å; A17-W190 HydrophobicContact CB-CG 4.26Å; A17-W190 HydrophobicContact CB-CZ2 3.79Å; A17-L195 HydrophobicContact CB-CD1 3.62Å; A17-L195 HydrophobicContact CB-CG 4.06Å
18	S	96.9	Very high	95.1	Very high	11 Å²	11	50 Å²	50	8%	0.077	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	22.1	179.5	57.1	0	0	0	0	113.1	V14 S15 R16 P30	V14-S18 WeakPolarHBondContact O-CB 3.39Å; V14-S18 PolarHBondContact O-N 3.41Å; V14-S18 VanDerWaalsContact O-N 3.08Å; V14-S18 PolarHBondContact O-OG 3.22Å; S15-S18 PolarHBondContact O-N 2.99Å; S15-S18 PolarHBondContact O-OG 3.03Å; R16-S18 PolarHBondContact O-N 3.12Å; S18-P30 VanDerWaalsContact O-CD 3.23Å; S18-P30 WeakPolarHBondContact O-CD 3.31Å; S18-P30 WeakPolarHBondContact O-CG 3.23Å; S18-P30 WeakPolarHBondContact OG-CG 3.43Å
19	Q	96.1	Very high	95	Very high	41 Å²	41	52.7 Å²	52.7	19%	0.192	27%	0.271	C	S	.	.			trans	-53.1	143	167.8	-76.3	172.4	-3.6	0	0	111	R16 R28 Q29	R16-Q19 VanDerWaalsContact O-CG 3.24Å; R16-Q19 WeakPolarHBondContact O-CG 3.44Å; R16-Q19 PolarHBondContact O-N 3.03Å; Q19-R28 CarbonylContact C-O 3.57Å; Q19-R28 VanDerWaalsContact CA-O 3.25Å; Q19-R28 WeakPolarHBondContact CA-O 3.5Å; Q19-Q29 HydrophobicContact CG-CB 4.04Å; Q19-Q29 HydrophobicContact CG-CG 4.1Å
20	Y	94.8	Very high	95	Very high	18 Å²	18	52.2 Å²	52.2	7%	0.071	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	168.7	-177.4	66.9	-80.5	0	0	0	110.2	D22 R28 P30 D68 E69 C70	Y20-D22 HydrophobicContact CE2-CB 4.48Å; Y20-R28 HydrophobicContact CD1-CB 4.1Å; Y20-R28 HydrophobicContact CD2-CB 4.31Å; Y20-R28 HydrophobicContact CE1-CB 3.57Å; Y20-R28 HydrophobicContact CE2-CB 3.8Å; Y20-R28 HydrophobicContact CE2-CG 4.08Å; Y20-R28 HydrophobicContact CG-CB 4.43Å; Y20-R28 PolarHBondContact N-O 3.19Å; Y20-R28 PolarHBondContact O-N 3.3Å; Y20-P30 HydrophobicContact CE1-CB 4.12Å; Y20-D68 VanDerWaalsContact CE2-O 3.26Å; Y20-D68 WeakPolarHBondContact CE2-O 3.3Å; Y20-E69 PolarHBondContact OH-OE2 3.3Å; Y20-C70 HydrophobicContact CD1-CB 4.09Å; Y20-C70 HydrophobicContact CE1-CB 3.6Å; Y20-C70 HydrophobicContact CE2-CB 4.28Å; Y20-C70 PolarHBondContact OH-N 3.05Å
21	R	93.1	Very high	94.9	Very high	120 Å²	120	60.5 Å²	60.5	45%	0.453	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.7	166.4	-68.4	-179.3	-177.7	-95.8	2.6	110.2	G25 Q26	R21-G25 PolarHBondContact NH1-O 3.43Å; R21-Q26 VanDerWaalsContact CA-O 3.32Å; R21-Q26 WeakPolarHBondContact CA-O 3.43Å
22	D	91.2	Very high	95	Very high	20 Å²	20	61 Å²	61	11%	0.107	29%	0.289	C	S	.	.			trans	-68.3	174.3	166.9	67.9	24.2	0	0	0	110.6	Y20 G24 G25 Q26 R28	Y20-D22 HydrophobicContact CE2-CB 4.48Å; D22-G24 PolarHBondContact O-N 3.06Å; D22-G24 VanDerWaalsContact OD1-CA 3.3Å; D22-G24 WeakPolarHBondContact OD1-CA 3.3Å; D22-G24 PolarHBondContact OD1-N 3.4Å; D22-G25 WeakPolarHBondContact O-CA 3.45Å; D22-G25 PolarHBondContact O-N 3.47Å; D22-G25 PolarHBondContact OD1-N 3.43Å; D22-Q26 PolarHBondContact N-O 2.84Å; D22-Q26 PolarHBondContact OD1-N 3.21Å; D22-R28 HydrophobicContact CB-CG 4.13Å; D22-R28 IonicContact OD2-CZ 2.73Å; D22-R28 IonicContact OD2-NE 2.67Å; D22-R28 PolarHBondContact OD2-NE 3.46Å; D22-R28 IonicContact OD2-NH2 3.67Å; D22-R28 PolarHBondContact OD2-NH2 3.16Å
23	R	87.2	Confident	95	Very high	115 Å²	115	60.1 Å²	60.1	43%	0.434	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.9	179	-74.9	175.4	-175.6	-175.6	18.1	113.6	G25 D68 D250 E253	R23-G25 PolarHBondContact O-N 3.15Å; R23-D68 VanDerWaalsContact CB-OD2 3.23Å; R23-D68 WeakPolarHBondContact CB-OD2 3.41Å; R23-D68 HydrophobicContact CG-CB 3.96Å; R23-D68 WeakPolarHBondContact CG-OD2 3.44Å; R23-D68 PolarHBondContact N-OD2 3.29Å; R23-D250 IonicContact CZ-OD2 2.88Å; R23-D250 IonicContact NE-OD2 3.66Å; R23-D250 PolarHBondContact NE-OD2 2.69Å; R23-D250 IonicContact NH2-OD1 2.71Å; R23-D250 PolarHBondContact NH2-OD1 2.9Å; R23-D250 IonicContact NH2-OD2 2.69Å; R23-D250 PolarHBondContact NH2-OD2 2.69Å; R23-E253 VanDerWaalsContact CZ-CG 3.49Å; R23-E253 IonicContact NH1-OE1 3.33Å
24	G	89.9	Confident	94.7	Very high	68 Å²	68	64.2 Å²	64.2	70%	0.701	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-2.5	172.8	0	0	0	0	0	113	D22 Q26	D22-G24 PolarHBondContact O-N 3.06Å; D22-G24 VanDerWaalsContact OD1-CA 3.3Å; D22-G24 WeakPolarHBondContact OD1-CA 3.3Å; D22-G24 PolarHBondContact OD1-N 3.4Å; G24-Q26 PolarHBondContact O-N 3.37Å
25	G	90.8	Very high	94.4	Very high	31 Å²	31	66.3 Å²	66.3	32%	0.32	33%	0.327	S	S	.	.			trans	78.9	3.5	-176.7	0	0	0	0	0	113.5	R21 D22 R23	R21-G25 PolarHBondContact NH1-O 3.43Å; D22-G25 WeakPolarHBondContact O-CA 3.45Å; D22-G25 PolarHBondContact O-N 3.47Å; D22-G25 PolarHBondContact OD1-N 3.43Å; R23-G25 PolarHBondContact O-N 3.15Å
26	Q	92.3	Very high	94.3	Very high	109 Å²	109	66.2 Å²	66.2	51%	0.509	33%	0.326	S	S	.	.			trans	-76	135.7	-179.6	-59.7	-172.6	1.1	0	0	109.9	R21 D22 G24 R28	R21-Q26 VanDerWaalsContact CA-O 3.32Å; R21-Q26 WeakPolarHBondContact CA-O 3.43Å; D22-Q26 PolarHBondContact N-O 2.84Å; D22-Q26 PolarHBondContact OD1-N 3.21Å; G24-Q26 PolarHBondContact O-N 3.37Å; Q26-R28 PolarHBondContact O-N 2.97Å
27	R	93.8	Very high	94.2	Very high	65 Å²	65	64.3 Å²	64.3	25%	0.245	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	129.8	174.9	-169.8	69.6	72.6	-174.5	13.2	109.1	E242	R27-E242 IonicContact CZ-OE1 2.79Å; R27-E242 IonicContact NH1-OE1 3.37Å; R27-E242 PolarHBondContact NH1-OE1 3Å; R27-E242 IonicContact NH1-OE2 3.83Å; R27-E242 PolarHBondContact NH1-OE2 3.42Å
28	R	95.3	Very high	94.1	Very high	92 Å²	92	69.2 Å²	69.2	35%	0.347	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149.1	177.5	-62.9	-65.2	-178.4	-165.2	-6.1	109.3	Q19 Y20 D22 Q26	Q19-R28 CarbonylContact C-O 3.57Å; Q19-R28 VanDerWaalsContact CA-O 3.25Å; Q19-R28 WeakPolarHBondContact CA-O 3.5Å; Y20-R28 HydrophobicContact CD1-CB 4.1Å; Y20-R28 HydrophobicContact CD2-CB 4.31Å; Y20-R28 HydrophobicContact CE1-CB 3.57Å; Y20-R28 HydrophobicContact CE2-CB 3.8Å; Y20-R28 HydrophobicContact CE2-CG 4.08Å; Y20-R28 HydrophobicContact CG-CB 4.43Å; Y20-R28 PolarHBondContact N-O 3.19Å; Y20-R28 PolarHBondContact O-N 3.3Å; D22-R28 HydrophobicContact CB-CG 4.13Å; D22-R28 IonicContact OD2-CZ 2.73Å; D22-R28 IonicContact OD2-NE 2.67Å; D22-R28 PolarHBondContact OD2-NE 3.46Å; D22-R28 IonicContact OD2-NH2 3.67Å; D22-R28 PolarHBondContact OD2-NH2 3.16Å; Q26-R28 PolarHBondContact O-N 2.97Å
29	Q	96.1	Very high	94.1	Very high	87 Å²	87	73.5 Å²	73.5	41%	0.407	37%	0.371	S	S	.	.			trans	-114.9	120.4	170.4	-175	177.6	-31.7	0	0	108	S15 Q19 R31	S15-Q29 WeakPolarHBondContact O-CG 3.21Å; S15-Q29 WeakPolarHBondContact OG-CG 3.43Å; S15-Q29 PolarHBondContact OG-NE2 3.02Å; Q19-Q29 HydrophobicContact CG-CB 4.04Å; Q19-Q29 HydrophobicContact CG-CG 4.1Å; Q29-R31 PolarHBondContact O-N 3.48Å
30	P	97.3	Very high	94.1	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-68.8	131.5	-176.6	29.5	-34.6	0	0	0	109.7	S15 S18 Y20 L55 C70 L72	S15-P30 PolarHBondContact OG-O 2.98Å; S18-P30 VanDerWaalsContact O-CD 3.23Å; S18-P30 WeakPolarHBondContact O-CD 3.31Å; S18-P30 WeakPolarHBondContact O-CG 3.23Å; S18-P30 WeakPolarHBondContact OG-CG 3.43Å; Y20-P30 HydrophobicContact CE1-CB 4.12Å; P30-L55 HydrophobicContact CB-CD1 3.62Å; P30-L55 HydrophobicContact CG-CD1 3.74Å; P30-C70 HydrophobicContact CB-CB 4.45Å; P30-L72 HydrophobicContact CB-CG 4.15Å; P30-L72 HydrophobicContact CG-CD1 4.13Å; P30-L72 HydrophobicContact CG-CG 4.06Å
31	R	97.4	Very high	94.3	Very high	208 Å²	208	77.9 Å²	77.9	79%	0.785	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	153	172.9	-64.4	-176.5	-177.9	177.5	1.5	109.9	Q29 V71 L72	Q29-R31 PolarHBondContact O-N 3.48Å; R31-V71 VanDerWaalsContact O-CG2 3.25Å; R31-V71 WeakPolarHBondContact O-CG2 3.46Å; R31-L72 PolarHBondContact O-N 3.22Å
32	W	98.4	Very high	94.5	Very high	35 Å²	35	74.9 Å²	74.9	13%	0.133	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	140.7	166.9	-69	90.9	0	0	0	110	A11 V14 D36 Y40 P53 L72 V74	A11-W32 HydrophobicContact CB-CZ2 3.85Å; A11-W32 WeakPolarHBondContact O-CZ2 3.41Å; A11-W32 PolarHBondContact O-NE1 3.11Å; V14-W32 HydrophobicContact CB-CZ2 4.04Å; V14-W32 HydrophobicContact CG1-CH2 4.39Å; V14-W32 HydrophobicContact CG1-CZ2 4.06Å; W32-D36 HydrophobicContact CE3-CB 4.27Å; W32-Y40 AromaticContact CH2-CD1 3.77Å; W32-Y40 HydrophobicContact CH2-CD1 3.77Å; W32-Y40 HydrophobicContact CH2-CD2 4.43Å; W32-Y40 HydrophobicContact CH2-CE1 4.47Å; W32-Y40 AromaticContact CH2-CG 3.73Å; W32-Y40 HydrophobicContact CH2-CG 3.73Å; W32-Y40 HydrophobicContact CZ2-CD1 4.02Å; W32-Y40 HydrophobicContact CZ2-CG 4.43Å; W32-Y40 HydrophobicContact CZ3-CG 4.45Å; W32-P53 HydrophobicContact CH2-CB 3.81Å; W32-P53 HydrophobicContact CZ3-CB 4.25Å; W32-L72 CarbonylContact C-O 3.49Å; W32-L72 WeakPolarHBondContact CA-O 3.34Å; W32-L72 HydrophobicContact CD2-CB 3.79Å; W32-L72 HydrophobicContact CD2-CD1 4.2Å; W32-L72 HydrophobicContact CE3-CB 3.72Å; W32-L72 HydrophobicContact CG-CB 4.23Å; W32-L72 HydrophobicContact CZ2-CD1 4.15Å; W32-L72 HydrophobicContact CZ3-CB 4.17Å; W32-V74 HydrophobicContact CE3-CG2 4.23Å; W32-V74 HydrophobicContact CH2-CG2 4.42Å; W32-V74 HydrophobicContact CZ3-CG2 3.56Å
33	K	97.1	Very high	94.9	Very high	59 Å²	59	74.7 Å²	74.7	26%	0.257	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-57.3	143.4	163.5	177	179.6	165.3	-66.2	0	109	G35 D36 F61 V71 L72	K33-G35 PolarHBondContact O-N 2.91Å; K33-D36 HydrophobicContact CB-CB 4.34Å; K33-D36 IonicContact NZ-OD1 2.86Å; K33-D36 WeakPolarHBondContact O-CB 3.36Å; K33-D36 PolarHBondContact O-N 3.28Å; K33-F61 HydrophobicContact CD-CD1 3.98Å; K33-F61 HydrophobicContact CD-CD2 4.39Å; K33-F61 HydrophobicContact CD-CE1 3.72Å; K33-F61 HydrophobicContact CD-CE2 4.15Å; K33-F61 HydrophobicContact CD-CG 4.3Å; K33-F61 HydrophobicContact CD-CZ 3.8Å; K33-V71 HydrophobicContact CB-CG2 4.13Å; K33-L72 PolarHBondContact N-O 3.12Å
34	D	92.1	Very high	95.4	Very high	151 Å²	151	71.3 Å²	71.3	81%	0.807	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	126.3	-175.2	-63.1	-23.2	0	0	0	112.6	D36	D34-D36 PolarHBondContact O-N 2.7Å
35	G	92.1	Very high	95.8	Very high	44 Å²	44	68.3 Å²	68.3	45%	0.454	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	-10.8	-178.6	0	0	0	0	0	115.8	K33 V38	K33-G35 PolarHBondContact O-N 2.91Å; G35-V38 PolarHBondContact O-N 3.49Å
36	D	94.9	Very high	96.2	Very high	6 Å²	6	67.5 Å²	67.5	3%	0.032	33%	0.331	C	S	.	.	H	α-helix	trans	-77.5	-28.3	-174.5	-79.7	14.7	0	0	0	113	W32 K33 D34 V38 K39 Y40 A73 V74	W32-D36 HydrophobicContact CE3-CB 4.27Å; K33-D36 HydrophobicContact CB-CB 4.34Å; K33-D36 IonicContact NZ-OD1 2.86Å; K33-D36 WeakPolarHBondContact O-CB 3.36Å; K33-D36 PolarHBondContact O-N 3.28Å; D34-D36 PolarHBondContact O-N 2.7Å; D36-V38 PolarHBondContact O-N 3.36Å; D36-K39 PolarHBondContact O-N 3.09Å; D36-K39 IonicContact OD1-NZ 3.16Å; D36-K39 PolarHBondContact OD1-NZ 3.17Å; D36-Y40 PolarHBondContact O-N 3.32Å; D36-Y40 VanDerWaalsContact O-N 3.1Å; D36-A73 WeakPolarHBondContact OD2-CA 3.19Å; D36-V74 HydrophobicContact CB-CB 4.2Å; D36-V74 HydrophobicContact CB-CG2 4Å; D36-V74 WeakPolarHBondContact O-CG2 3.4Å; D36-V74 PolarHBondContact OD2-N 2.73Å
37	S	94.4	Very high	96.5	Very high	49 Å²	49	64 Å²	64	34%	0.343	32%	0.318	S	S	.	.	H	α-helix	trans	-57.9	-33.9	173.9	56.5	0	0	0	0	112.6
38	V	95.4	Very high	96.6	Very high	124 Å²	124	62.2 Å²	62.2	75%	0.752	32%	0.316	S	S	*	.	H	α-helix	trans	-77.6	-28.4	177.8	-176.6	0	0	0	0	111.8	G35 D36 Y40	G35-V38 PolarHBondContact O-N 3.49Å; D36-V38 PolarHBondContact O-N 3.36Å; V38-Y40 VanDerWaalsContact C-N 3.34Å
39	K	95.3	Very high	96.7	Very high	102 Å²	102	63.4 Å²	63.4	44%	0.443	33%	0.325	S	S	.	.	H	α-helix	trans	-75.3	-25.8	176.6	-63.3	173.9	-166.4	162.1	0	112.3	D36 Q41 V74	D36-K39 PolarHBondContact O-N 3.09Å; D36-K39 IonicContact OD1-NZ 3.16Å; D36-K39 PolarHBondContact OD1-NZ 3.17Å; K39-Q41 PolarHBondContact O-N 3.31Å; K39-V74 HydrophobicContact CB-CB 4.35Å; K39-V74 HydrophobicContact CB-CG1 4.23Å; K39-V74 HydrophobicContact CB-CG2 4.37Å
40	Y	97.7	Very high	96.7	Very high	12 Å²	12	60.6 Å²	60.6	5%	0.047	32%	0.315	C	S	.	.			trans	-71.4	128.5	-178.2	175.4	-124.5	0	0	0	111.1	C7 L9 A11 V14 W32 D36 V38 P42 P53	C7-Y40 PolarHBondContact O-OH 3.16Å; C7-Y40 PolarHBondContact SG-OH 3.33Å; L9-Y40 VanDerWaalsContact O-CE1 3.28Å; L9-Y40 WeakPolarHBondContact O-CE1 3.15Å; L9-Y40 PolarHBondContact O-OH 3.49Å; A11-Y40 HydrophobicContact CB-CD1 3.95Å; V14-Y40 HydrophobicContact CG2-CE1 3.88Å; W32-Y40 AromaticContact CH2-CD1 3.77Å; W32-Y40 HydrophobicContact CH2-CD1 3.77Å; W32-Y40 HydrophobicContact CH2-CD2 4.43Å; W32-Y40 HydrophobicContact CH2-CE1 4.47Å; W32-Y40 AromaticContact CH2-CG 3.73Å; W32-Y40 HydrophobicContact CH2-CG 3.73Å; W32-Y40 HydrophobicContact CZ2-CD1 4.02Å; W32-Y40 HydrophobicContact CZ2-CG 4.43Å; W32-Y40 HydrophobicContact CZ3-CG 4.45Å; D36-Y40 PolarHBondContact O-N 3.32Å; D36-Y40 VanDerWaalsContact O-N 3.1Å; V38-Y40 VanDerWaalsContact C-N 3.34Å; Y40-P42 HydrophobicContact CE1-CG 3.87Å; Y40-P53 HydrophobicContact CD2-CG 4.31Å; Y40-P53 HydrophobicContact CE2-CG 3.84Å
41	Q	97.4	Very high	96.8	Very high	139 Å²	139	63.8 Å²	63.8	65%	0.65	33%	0.332	S	S	*	.			trans	-122.8	115.1	173.9	-66.3	-178.5	14.2	0	0	109.4	K39 K46	K39-Q41 PolarHBondContact O-N 3.31Å; Q41-K46 PolarHBondContact O-NZ 3.4Å
42	P	98.3	Very high	96.8	Very high	56 Å²	56	53.9 Å²	53.9	36%	0.364	29%	0.294	S	S	.	.			trans	-59.7	142.9	172.4	-21.1	31.8	0	0	0	111	C7 T8 L9 Y40	C7-P42 CarbonylContact O-C 3.53Å; C7-P42 VanDerWaalsContact O-CA 3.3Å; C7-P42 WeakPolarHBondContact O-CA 3.45Å; T8-P42 WeakPolarHBondContact O-CB 3.41Å; L9-P42 WeakPolarHBondContact O-CG 3.5Å; Y40-P42 HydrophobicContact CE1-CG 3.87Å
43	S	98.7	Very high	96.8	Very high	17 Å²	17	52.2 Å²	52.2	12%	0.119	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	143.9	175.1	150.9	0	0	0	0	111.6	C7 N45 N284	C7-S43 CarbonylContact C-O 3.54Å; C7-S43 PolarHBondContact N-O 2.94Å; C7-S43 PolarHBondContact O-N 3.01Å; S43-N45 PolarHBondContact O-N 3.35Å; S43-N45 PolarHBondContact OG-N 2.84Å; S43-N284 VanDerWaalsContact CA-OD1 3.27Å; S43-N284 WeakPolarHBondContact CA-OD1 3.06Å; S43-N284 WeakPolarHBondContact CB-OD1 3.11Å; S43-N284 PolarHBondContact OG-OD1 3.48Å; S43-N284 VanDerWaalsContact OG-OD1 3.12Å
44	Y	98.8	Very high	96.9	Very high	44 Å²	44	49.4 Å²	49.4	17%	0.173	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	-12.7	174.9	-65.2	-87.7	0	0	0	112.2	A6 T8 Y128 N284 S285 P286 L289	A6-Y44 WeakPolarHBondContact CB-O 3.35Å; T8-Y44 HydrophobicContact CG2-CD1 3.33Å; T8-Y44 HydrophobicContact CG2-CD2 4.15Å; T8-Y44 HydrophobicContact CG2-CE1 3.42Å; T8-Y44 VanDerWaalsContact CG2-CE1 3.42Å; T8-Y44 HydrophobicContact CG2-CE2 4.23Å; T8-Y44 HydrophobicContact CG2-CG 3.69Å; Y44-Y128 WeakPolarHBondContact O-CE2 3.39Å; Y44-Y128 PolarHBondContact O-OH 3.21Å; Y44-N284 PolarHBondContact N-OD1 3.09Å; Y44-S285 VanDerWaalsContact CB-O 3.31Å; Y44-S285 WeakPolarHBondContact CB-O 3.42Å; Y44-S285 VanDerWaalsContact CD2-C 3.48Å; Y44-S285 VanDerWaalsContact CG-C 3.45Å; Y44-P286 HydrophobicContact CE1-CB 4.13Å; Y44-P286 HydrophobicContact CE1-CG 4.12Å; Y44-P286 HydrophobicContact CE2-CG 4.17Å; Y44-L289 HydrophobicContact CD1-CD1 3.52Å; Y44-L289 HydrophobicContact CD1-CG 3.95Å; Y44-L289 HydrophobicContact CE1-CD1 3.91Å
45	N	98.6	Very high	97.2	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	60.6	-165.8	-156.5	-1.8	0	0	0	113.2	R4 T5 S43 V278 N280 N283	R4-N45 WeakPolarHBondContact CD-OD1 3.46Å; R4-N45 WeakPolarHBondContact CG-OD1 3.36Å; R4-N45 PolarHBondContact NH1-ND2 3.31Å; R4-N45 PolarHBondContact NH1-OD1 3.47Å; T5-N45 CarbonylContact O-C 3.5Å; S43-N45 PolarHBondContact O-N 3.35Å; S43-N45 PolarHBondContact OG-N 2.84Å; N45-V278 PolarHBondContact ND2-O 3.1Å; N45-N280 PolarHBondContact ND2-O 3.36Å; N45-N280 VanDerWaalsContact ND2-O 3.16Å; N45-N283 WeakPolarHBondContact CB-O 3.46Å; N45-N283 PolarHBondContact ND2-O 3.18Å
46	K	98.6	Very high	97.5	Very high	14 Å²	14	40.4 Å²	40.4	6%	0.061	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	130.1	178	-50.4	-67.8	-71	-167.7	0	110.2	R4 T5 Q41 L51	R4-K46 WeakPolarHBondContact CA-O 3.24Å; R4-K46 WeakPolarHBondContact CD-O 3.45Å; R4-K46 WeakPolarHBondContact CG-O 3.43Å; T5-K46 PolarHBondContact N-O 3.48Å; T5-K46 PolarHBondContact O-N 3.21Å; T5-K46 WeakPolarHBondContact OG1-CB 3.45Å; Q41-K46 PolarHBondContact O-NZ 3.4Å; K46-L51 WeakPolarHBondContact CE-O 3.32Å; K46-L51 PolarHBondContact NZ-O 3.13Å
47	S	97.8	Very high	97.7	Very high	35 Å²	35	40.1 Å²	40.1	25%	0.245	22%	0.216	C	C	.	.			trans	-112.4	168.9	174.9	64.8	0	0	0	0	111.4	S50	S47-S50 WeakPolarHBondContact O-CB 3.44Å; S47-S50 PolarHBondContact O-N 3.26Å; S47-S50 VanDerWaalsContact O-N 3.1Å; S47-S50 PolarHBondContact O-OG 3.44Å
48	P	97.4	Very high	97.8	Very high	29 Å²	29	40.7 Å²	40.7	19%	0.188	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.5	148.9	160.6	-34.1	38.1	0	0	0	112.6	G3 S50 W77 N97	G3-P48 WeakPolarHBondContact O-CD 3.47Å; P48-S50 PolarHBondContact O-N 3.29Å; P48-W77 HydrophobicContact CG-CD2 4.47Å; P48-N97 WeakPolarHBondContact CB-ND2 3.47Å; P48-N97 WeakPolarHBondContact CB-OD1 3.41Å; P48-N97 HydrophobicContact CG-CB 4.14Å; P48-N97 WeakPolarHBondContact CG-ND2 3.44Å
49	Q	95.8	Very high	97.8	Very high	116 Å²	116	40.2 Å²	40.2	54%	0.542	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	-11.8	-173.3	-48.6	173.4	-18.5	0	0	115.3	W77	Q49-W77 VanDerWaalsContact CA-O 3.28Å; Q49-W77 WeakPolarHBondContact CA-O 3.34Å; Q49-W77 PolarHBondContact N-O 3.37Å
50	S	97.4	Very high	97.9	Very high	29 Å²	29	37.6 Å²	37.6	20%	0.203	19%	0.187	C	C	.	.	S	Bend	trans	-74.6	162.4	171.3	76.9	0	0	0	0	112	S47 P48 W77	S47-S50 WeakPolarHBondContact O-CB 3.44Å; S47-S50 PolarHBondContact O-N 3.26Å; S47-S50 VanDerWaalsContact O-N 3.1Å; S47-S50 PolarHBondContact O-OG 3.44Å; P48-S50 PolarHBondContact O-N 3.29Å; S50-W77 PolarHBondContact O-N 3.38Å
51	L	98.3	Very high	97.7	Very high	66 Å²	66	39.8 Å²	39.8	35%	0.346	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127	178.1	-67.1	-176.1	0	0	0	110.9	K46 V74 M75 R76	K46-L51 WeakPolarHBondContact CE-O 3.32Å; K46-L51 PolarHBondContact NZ-O 3.13Å; L51-V74 HydrophobicContact CB-CG1 3.54Å; L51-V74 HydrophobicContact CD1-CG1 3.92Å; L51-V74 HydrophobicContact CD2-CG1 4.14Å; L51-V74 HydrophobicContact CG-CG1 4.07Å; L51-M75 WeakPolarHBondContact CA-O 3.39Å; L51-R76 HydrophobicContact CD2-CB 3.96Å
52	S	98.6	Very high	97.6	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.007	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	152	179.8	-59.5	0	0	0	0	111.4	M75 Y217	S52-M75 PolarHBondContact N-O 2.94Å; S52-M75 PolarHBondContact O-N 2.94Å; S52-Y217 WeakPolarHBondContact CB-OH 3.16Å; S52-Y217 PolarHBondContact OG-OH 2.72Å; S52-Y217 VanDerWaalsContact OG-OH 3.1Å
53	P	98.8	Very high	97.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	134.2	173.4	27.7	-28.8	0	0	0	110.3	C7 V14 W32 Y40 L123	C7-P53 VanDerWaalsContact SG-CG 3.56Å; V14-P53 HydrophobicContact CG1-CB 4.03Å; V14-P53 HydrophobicContact CG1-CG 4.3Å; W32-P53 HydrophobicContact CH2-CB 3.81Å; W32-P53 HydrophobicContact CZ3-CB 4.25Å; Y40-P53 HydrophobicContact CD2-CG 4.31Å; Y40-P53 HydrophobicContact CE2-CG 3.84Å; P53-L123 HydrophobicContact CG-CB 4.21Å; P53-L123 PolarHBondContact O-N 3.07Å; P53-L123 VanDerWaalsContact O-N 3.09Å
54	V	98.9	Very high	97.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143.1	171.4	-55.9	0	0	0	0	109.6	L56 L72 A73 M75 C120 V121 I122 Y217	V54-L56 HydrophobicContact CG2-CD2 4.13Å; V54-L72 WeakPolarHBondContact O-CA 3.3Å; V54-A73 HydrophobicContact CG2-CB 4.32Å; V54-A73 PolarHBondContact N-O 2.79Å; V54-A73 PolarHBondContact O-N 3.07Å; V54-M75 HydrophobicContact CG1-CB 4.4Å; V54-M75 HydrophobicContact CG2-CB 4.19Å; V54-M75 HydrophobicContact CG2-CE 3.75Å; V54-M75 HydrophobicContact CG2-CG 3.6Å; V54-M75 HydrophobicContact CG2-SD 3.63Å; V54-C120 HydrophobicContact CB-CB 4.22Å; V54-C120 HydrophobicContact CG2-CB 4.43Å; V54-V121 CarbonylContact C-O 3.52Å; V54-V121 VanDerWaalsContact CA-O 3.26Å; V54-V121 WeakPolarHBondContact CA-O 3.38Å; V54-I122 HydrophobicContact CG1-CB 4.35Å; V54-I122 HydrophobicContact CG1-CG1 3.87Å; V54-Y217 HydrophobicContact CG1-CD1 4.11Å; V54-Y217 HydrophobicContact CG1-CE1 4.35Å; V54-Y217 HydrophobicContact CG1-CG 4.46Å
55	L	98.8	Very high	96.8	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	135.7	169.9	-167	71.5	0	0	0	108.7	P30 C70 L72 C120 V121 V245 L249	P30-L55 HydrophobicContact CB-CD1 3.62Å; P30-L55 HydrophobicContact CG-CD1 3.74Å; L55-C70 HydrophobicContact CD1-CB 3.73Å; L55-C70 HydrophobicContact CD2-CB 4.32Å; L55-C70 HydrophobicContact CG-CB 3.97Å; L55-L72 HydrophobicContact CB-CD2 4.48Å; L55-L72 HydrophobicContact CD1-CD2 3.98Å; L55-L72 HydrophobicContact CD1-CG 4.23Å; L55-C120 CarbonylContact O-C 3.59Å; L55-C120 WeakPolarHBondContact O-CA 3.39Å; L55-V121 HydrophobicContact CB-CB 4.32Å; L55-V121 PolarHBondContact N-O 3.1Å; L55-V121 PolarHBondContact O-N 3.3Å; L55-V245 HydrophobicContact CD2-CG1 4.19Å; L55-L249 HydrophobicContact CB-CD1 4.21Å; L55-L249 HydrophobicContact CD2-CD1 3.71Å; L55-L249 HydrophobicContact CG-CD1 3.72Å; L55-L249 WeakPolarHBondContact O-CD2 3.32Å
56	L	98.5	Very high	96.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	166.8	175.9	67.6	167.3	0	0	0	111.6	V54 Q58 H60 F61 C70 V71 A73 M75 C120 F202	V54-L56 HydrophobicContact CG2-CD2 4.13Å; L56-Q58 PolarHBondContact O-N 2.84Å; L56-H60 HydrophobicContact CD1-CB 4.33Å; L56-F61 HydrophobicContact CD1-CE2 3.8Å; L56-F61 HydrophobicContact CD1-CZ 3.95Å; L56-F61 HydrophobicContact CD2-CE2 4.07Å; L56-F61 HydrophobicContact CG-CE2 4.05Å; L56-C70 CarbonylContact O-C 3.5Å; L56-C70 WeakPolarHBondContact O-CA 3.27Å; L56-V71 HydrophobicContact CD2-CG1 3.96Å; L56-V71 HydrophobicContact CG-CG1 4.13Å; L56-V71 PolarHBondContact N-O 2.85Å; L56-V71 VanDerWaalsContact N-O 3.11Å; L56-V71 PolarHBondContact O-N 3.31Å; L56-A73 HydrophobicContact CD2-CB 3.75Å; L56-M75 HydrophobicContact CD1-CE 3.68Å; L56-M75 HydrophobicContact CD2-CE 4.17Å; L56-C120 HydrophobicContact CB-CB 4.27Å; L56-F202 HydrophobicContact CD1-CD1 4.27Å; L56-F202 HydrophobicContact CD1-CE1 3.63Å; L56-F202 HydrophobicContact CD1-CE2 4.29Å; L56-F202 HydrophobicContact CD1-CZ 3.66Å
57	S	97.8	Very high	96	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	128.6	173.5	178.6	0	0	0	0	111.1	R59 H60 V67	S57-R59 PolarHBondContact O-N 3.16Å; S57-R59 VanDerWaalsContact O-N 3.13Å; S57-R59 WeakPolarHBondContact OG-CB 2.93Å; S57-R59 PolarHBondContact OG-N 3.1Å; S57-H60 PolarHBondContact O-CD2 2.97Å; S57-H60 PolarHBondContact O-N 3.35Å; S57-V67 WeakPolarHBondContact CB-O 3.29Å; S57-V67 PolarHBondContact OG-O 2.6Å
58	Q	96.9	Very high	95.6	Very high	61 Å²	61	49.9 Å²	49.9	29%	0.285	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-61.2	-22.4	177.6	-167.1	-178.4	34.1	0	0	111.9	L56 H60 F61 V62 A65 E69 V71	L56-Q58 PolarHBondContact O-N 2.84Å; Q58-H60 PolarHBondContact O-N 3.08Å; Q58-H60 VanDerWaalsContact O-N 3.08Å; Q58-F61 PolarHBondContact O-N 3.5Å; Q58-V62 HydrophobicContact CG-CB 4.48Å; Q58-V62 HydrophobicContact CG-CG2 4.32Å; Q58-V62 PolarHBondContact O-N 2.8Å; Q58-A65 HydrophobicContact CB-CB 4.15Å; Q58-A65 HydrophobicContact CG-CB 4.19Å; Q58-E69 HydrophobicContact CB-CB 4.41Å; Q58-E69 HydrophobicContact CB-CG 4.27Å; Q58-E69 WeakPolarHBondContact CB-O 3.28Å; Q58-E69 PolarHBondContact N-O 3.12Å; Q58-E69 VanDerWaalsContact OE1-CG 3.26Å; Q58-V71 HydrophobicContact CB-CB 4.16Å; Q58-V71 HydrophobicContact CB-CG1 4.24Å; Q58-V71 HydrophobicContact CG-CB 4.21Å; Q58-V71 HydrophobicContact CG-CG1 4.46Å
59	R	95.9	Very high	95.5	Very high	113 Å²	113	50.9 Å²	50.9	43%	0.426	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-60.2	-19.2	178.2	-163.2	168.4	-175.6	-177.3	-0.7	114	S57 F61 V62 F251	S57-R59 PolarHBondContact O-N 3.16Å; S57-R59 VanDerWaalsContact O-N 3.13Å; S57-R59 WeakPolarHBondContact OG-CB 2.93Å; S57-R59 PolarHBondContact OG-N 3.1Å; R59-F61 PolarHBondContact O-N 3.27Å; R59-V62 WeakPolarHBondContact CA-O 3.01Å; R59-F251 HydrophobicContact CB-CE1 4.13Å; R59-F251 HydrophobicContact CB-CZ 4.03Å; R59-F251 HydrophobicContact CG-CZ 4.14Å
60	H	96.1	Very high	95.6	Very high	48 Å²	48	45.8 Å²	45.8	22%	0.222	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-68.3	-20	171	-71	-61.8	0	0	0	114	L56 S57 Q58 G117 F202 F251	L56-H60 HydrophobicContact CD1-CB 4.33Å; S57-H60 PolarHBondContact O-CD2 2.97Å; S57-H60 PolarHBondContact O-N 3.35Å; Q58-H60 PolarHBondContact O-N 3.08Å; Q58-H60 VanDerWaalsContact O-N 3.08Å; H60-G117 PolarHBondContact CE1-O 3.01Å; H60-G117 VanDerWaalsContact CE1-O 3.23Å; H60-G117 PolarHBondContact NE2-O 3.41Å; H60-G117 VanDerWaalsContact NE2-O 3.15Å; H60-F202 HydrophobicContact CB-CZ 4.25Å; H60-F202 AromaticContact CD2-CE1 3.96Å; H60-F202 AromaticContact CD2-CZ 3.7Å; H60-F202 AromaticContact CE1-CZ 3.95Å; H60-F202 AromaticContact CG-CZ 3.7Å; H60-F202 AromaticContact ND1-CZ 3.86Å; H60-F202 AromaticContact NE2-CE1 3.89Å; H60-F202 AromaticContact NE2-CZ 3.85Å; H60-F251 AromaticContact CD2-CE1 3.82Å; H60-F251 AromaticContact CE1-CD1 3.68Å; H60-F251 AromaticContact CE1-CE1 3.47Å; H60-F251 VanDerWaalsContact CE1-CE1 3.47Å; H60-F251 WeakPolarHBondContact CE1-CE1 3.48Å; H60-F251 AromaticContact CE1-CZ 3.82Å; H60-F251 AromaticContact ND1-CE1 4Å; H60-F251 AromaticContact NE2-CD1 3.39Å; H60-F251 WeakPolarHBondContact NE2-CD1 3.39Å; H60-F251 AromaticContact NE2-CE1 3.36Å; H60-F251 WeakPolarHBondContact NE2-CE1 3.22Å
61	F	95.1	Very high	95.6	Very high	58 Å²	58	44.8 Å²	44.8	25%	0.254	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-33.2	178.3	-53.3	-69.8	0	0	0	112.4	K33 L56 Q58 R59 V71 A73 Y215	K33-F61 HydrophobicContact CD-CD1 3.98Å; K33-F61 HydrophobicContact CD-CD2 4.39Å; K33-F61 HydrophobicContact CD-CE1 3.72Å; K33-F61 HydrophobicContact CD-CE2 4.15Å; K33-F61 HydrophobicContact CD-CG 4.3Å; K33-F61 HydrophobicContact CD-CZ 3.8Å; L56-F61 HydrophobicContact CD1-CE2 3.8Å; L56-F61 HydrophobicContact CD1-CZ 3.95Å; L56-F61 HydrophobicContact CD2-CE2 4.07Å; L56-F61 HydrophobicContact CG-CE2 4.05Å; Q58-F61 PolarHBondContact O-N 3.5Å; R59-F61 PolarHBondContact O-N 3.27Å; F61-V71 HydrophobicContact CD2-CG1 3.77Å; F61-V71 HydrophobicContact CE2-CG1 3.65Å; F61-A73 HydrophobicContact CE2-CB 4.45Å; F61-A73 HydrophobicContact CZ-CB 4.21Å; F61-Y215 HydrophobicContact CE1-CD1 4.37Å; F61-Y215 AromaticContact CE1-CE1 3.69Å; F61-Y215 HydrophobicContact CE1-CE1 3.69Å; F61-Y215 HydrophobicContact CE1-CE2 4.26Å; F61-Y215 AromaticContact CE1-CZ 3.63Å; F61-Y215 HydrophobicContact CZ-CE1 4.35Å
62	V	95.8	Very high	95.7	Very high	71 Å²	71	41.6 Å²	41.6	43%	0.43	21%	0.207	S	C	.	.			trans	-121.7	105	-177.4	-177.9	0	0	0	0	109.4	Q58 R59 N64 A65	Q58-V62 HydrophobicContact CG-CB 4.48Å; Q58-V62 HydrophobicContact CG-CG2 4.32Å; Q58-V62 PolarHBondContact O-N 2.8Å; R59-V62 WeakPolarHBondContact CA-O 3.01Å; V62-N64 PolarHBondContact O-N 3.43Å; V62-A65 HydrophobicContact CB-CB 3.96Å; V62-A65 HydrophobicContact CG1-CB 4.09Å; V62-A65 WeakPolarHBondContact O-CB 3.31Å; V62-A65 PolarHBondContact O-N 3.4Å
63	K	91.8	Very high	95.7	Very high	177 Å²	177	41.7 Å²	41.7	77%	0.77	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52	-35.1	-171.2	-171.6	179.5	179.6	-177.3	0	114.7
64	N	93.6	Very high	95.6	Very high	151 Å²	151	42.3 Å²	42.3	81%	0.807	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	3.8	-175.3	-60.6	-19	0	0	0	113.6	V62	V62-N64 PolarHBondContact O-N 3.43Å
65	A	93.8	Very high	95.6	Very high	11 Å²	11	42.3 Å²	42.3	9%	0.091	21%	0.212	C	C	.	.	S	Bend	trans	-67	147.3	175.5	0	0	0	0	0	110.8	Q58 V62	Q58-A65 HydrophobicContact CB-CB 4.15Å; Q58-A65 HydrophobicContact CG-CB 4.19Å; V62-A65 HydrophobicContact CB-CB 3.96Å; V62-A65 HydrophobicContact CG1-CB 4.09Å; V62-A65 WeakPolarHBondContact O-CB 3.31Å; V62-A65 PolarHBondContact O-N 3.4Å
66	P	92.2	Very high	95.6	Very high	76 Å²	76	43.1 Å²	43.1	49%	0.494	21%	0.214	S	C	.	.			trans	-53	141.1	167.5	-21.8	32.7	0	0	0	110.3	D68 E69	P66-D68 VanDerWaalsContact C-N 3.29Å; P66-D68 WeakPolarHBondContact CB-OD1 3.49Å; P66-D68 PolarHBondContact O-N 2.78Å; P66-E69 HydrophobicContact CB-CB 4.1Å; P66-E69 HydrophobicContact CG-CB 4.41Å; P66-E69 WeakPolarHBondContact O-CB 3.37Å; P66-E69 PolarHBondContact O-N 3.3Å
67	V	86.6	Confident	95.6	Very high	9 Å²	9	43.1 Å²	43.1	6%	0.055	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-25.5	-174	67.1	0	0	0	0	112.9	S57 E69 D250 F251	S57-V67 WeakPolarHBondContact CB-O 3.29Å; S57-V67 PolarHBondContact OG-O 2.6Å; V67-E69 VanDerWaalsContact C-N 3.34Å; V67-D250 WeakPolarHBondContact CG1-OD1 3.37Å; V67-F251 HydrophobicContact CG2-CD1 4.11Å; V67-F251 HydrophobicContact CG2-CE1 4.01Å; V67-F251 HydrophobicContact CG2-CZ 4.41Å
68	D	90.2	Very high	95.6	Very high	26 Å²	26	43.2 Å²	43.2	14%	0.139	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-5.7	173.6	60	-37.9	0	0	0	113.2	Y20 R23 P66 C70	Y20-D68 VanDerWaalsContact CE2-O 3.26Å; Y20-D68 WeakPolarHBondContact CE2-O 3.3Å; R23-D68 VanDerWaalsContact CB-OD2 3.23Å; R23-D68 WeakPolarHBondContact CB-OD2 3.41Å; R23-D68 HydrophobicContact CG-CB 3.96Å; R23-D68 WeakPolarHBondContact CG-OD2 3.44Å; R23-D68 PolarHBondContact N-OD2 3.29Å; P66-D68 VanDerWaalsContact C-N 3.29Å; P66-D68 WeakPolarHBondContact CB-OD1 3.49Å; P66-D68 PolarHBondContact O-N 2.78Å; D68-C70 PolarHBondContact O-N 3.42Å
69	E	95.4	Very high	95.7	Very high	50 Å²	50	40.3 Å²	40.3	23%	0.234	20%	0.202	C	C	.	.			trans	-73.5	122.4	169.6	-172.1	66.4	-178	0	0	109.4	Y20 Q58 P66 V67	Y20-E69 PolarHBondContact OH-OE2 3.3Å; Q58-E69 HydrophobicContact CB-CB 4.41Å; Q58-E69 HydrophobicContact CB-CG 4.27Å; Q58-E69 WeakPolarHBondContact CB-O 3.28Å; Q58-E69 PolarHBondContact N-O 3.12Å; Q58-E69 VanDerWaalsContact OE1-CG 3.26Å; P66-E69 HydrophobicContact CB-CB 4.1Å; P66-E69 HydrophobicContact CG-CB 4.41Å; P66-E69 WeakPolarHBondContact O-CB 3.37Å; P66-E69 PolarHBondContact O-N 3.3Å; V67-E69 VanDerWaalsContact C-N 3.34Å
70	C	97.5	Very high	95.8	Very high	9 Å²	9	35 Å²	35	6%	0.061	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	147.1	-176.4	-61.3	0	0	0	0	111.5	Y20 P30 L55 L56 D68	Y20-C70 HydrophobicContact CD1-CB 4.09Å; Y20-C70 HydrophobicContact CE1-CB 3.6Å; Y20-C70 HydrophobicContact CE2-CB 4.28Å; Y20-C70 PolarHBondContact OH-N 3.05Å; P30-C70 HydrophobicContact CB-CB 4.45Å; L55-C70 HydrophobicContact CD1-CB 3.73Å; L55-C70 HydrophobicContact CD2-CB 4.32Å; L55-C70 HydrophobicContact CG-CB 3.97Å; L56-C70 CarbonylContact O-C 3.5Å; L56-C70 WeakPolarHBondContact O-CA 3.27Å; D68-C70 PolarHBondContact O-N 3.42Å
71	V	98.3	Very high	95.9	Very high	7 Å²	7	32.9 Å²	32.9	4%	0.042	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.4	176.1	67.6	0	0	0	0	109.5	R31 K33 L56 Q58 F61	R31-V71 VanDerWaalsContact O-CG2 3.25Å; R31-V71 WeakPolarHBondContact O-CG2 3.46Å; K33-V71 HydrophobicContact CB-CG2 4.13Å; L56-V71 HydrophobicContact CD2-CG1 3.96Å; L56-V71 HydrophobicContact CG-CG1 4.13Å; L56-V71 PolarHBondContact N-O 2.85Å; L56-V71 VanDerWaalsContact N-O 3.11Å; L56-V71 PolarHBondContact O-N 3.31Å; Q58-V71 HydrophobicContact CB-CB 4.16Å; Q58-V71 HydrophobicContact CB-CG1 4.24Å; Q58-V71 HydrophobicContact CG-CB 4.21Å; Q58-V71 HydrophobicContact CG-CG1 4.46Å; F61-V71 HydrophobicContact CD2-CG1 3.77Å; F61-V71 HydrophobicContact CE2-CG1 3.65Å
72	L	98.7	Very high	95.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	128.7	168.7	-74.4	168.9	0	0	0	109.9	V14 P30 R31 W32 K33 V54 L55 L123	V14-L72 HydrophobicContact CG1-CD1 4.07Å; V14-L72 HydrophobicContact CG1-CD2 4.09Å; P30-L72 HydrophobicContact CB-CG 4.15Å; P30-L72 HydrophobicContact CG-CD1 4.13Å; P30-L72 HydrophobicContact CG-CG 4.06Å; R31-L72 PolarHBondContact O-N 3.22Å; W32-L72 CarbonylContact C-O 3.49Å; W32-L72 WeakPolarHBondContact CA-O 3.34Å; W32-L72 HydrophobicContact CD2-CB 3.79Å; W32-L72 HydrophobicContact CD2-CD1 4.2Å; W32-L72 HydrophobicContact CE3-CB 3.72Å; W32-L72 HydrophobicContact CG-CB 4.23Å; W32-L72 HydrophobicContact CZ2-CD1 4.15Å; W32-L72 HydrophobicContact CZ3-CB 4.17Å; K33-L72 PolarHBondContact N-O 3.12Å; V54-L72 WeakPolarHBondContact O-CA 3.3Å; L55-L72 HydrophobicContact CB-CD2 4.48Å; L55-L72 HydrophobicContact CD1-CD2 3.98Å; L55-L72 HydrophobicContact CD1-CG 4.23Å; L72-L123 HydrophobicContact CD2-CD1 3.57Å
73	A	98.6	Very high	95.9	Very high	2 Å²	2	34.6 Å²	34.6	2%	0.017	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	154.9	172.4	0	0	0	0	0	110.4	D36 V54 L56 F61 M75	D36-A73 WeakPolarHBondContact OD2-CA 3.19Å; V54-A73 HydrophobicContact CG2-CB 4.32Å; V54-A73 PolarHBondContact N-O 2.79Å; V54-A73 PolarHBondContact O-N 3.07Å; L56-A73 HydrophobicContact CD2-CB 3.75Å; F61-A73 HydrophobicContact CE2-CB 4.45Å; F61-A73 HydrophobicContact CZ-CB 4.21Å; A73-M75 HydrophobicContact CB-CE 4.29Å
74	V	98.5	Very high	96.2	Very high	13 Å²	13	27.3 Å²	27.3	8%	0.079	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	120.6	171.5	176.1	0	0	0	0	108.8	W32 D36 K39 L51	W32-V74 HydrophobicContact CE3-CG2 4.23Å; W32-V74 HydrophobicContact CH2-CG2 4.42Å; W32-V74 HydrophobicContact CZ3-CG2 3.56Å; D36-V74 HydrophobicContact CB-CB 4.2Å; D36-V74 HydrophobicContact CB-CG2 4Å; D36-V74 WeakPolarHBondContact O-CG2 3.4Å; D36-V74 PolarHBondContact OD2-N 2.73Å; K39-V74 HydrophobicContact CB-CB 4.35Å; K39-V74 HydrophobicContact CB-CG1 4.23Å; K39-V74 HydrophobicContact CB-CG2 4.37Å; L51-V74 HydrophobicContact CB-CG1 3.54Å; L51-V74 HydrophobicContact CD1-CG1 3.92Å; L51-V74 HydrophobicContact CD2-CG1 4.14Å; L51-V74 HydrophobicContact CG-CG1 4.07Å
75	M	98.8	Very high	96.3	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	148.9	179.8	-64.9	-165.8	-173.2	0	0	111.7	L51 S52 V54 L56 A73 F202 Y215 Y217	L51-M75 WeakPolarHBondContact CA-O 3.39Å; S52-M75 PolarHBondContact N-O 2.94Å; S52-M75 PolarHBondContact O-N 2.94Å; V54-M75 HydrophobicContact CG1-CB 4.4Å; V54-M75 HydrophobicContact CG2-CB 4.19Å; V54-M75 HydrophobicContact CG2-CE 3.75Å; V54-M75 HydrophobicContact CG2-CG 3.6Å; V54-M75 HydrophobicContact CG2-SD 3.63Å; L56-M75 HydrophobicContact CD1-CE 3.68Å; L56-M75 HydrophobicContact CD2-CE 4.17Å; A73-M75 HydrophobicContact CB-CE 4.29Å; M75-F202 HydrophobicContact CE-CB 4.15Å; M75-F202 HydrophobicContact CE-CD1 4.36Å; M75-F202 HydrophobicContact CE-CD2 3.88Å; M75-F202 HydrophobicContact CE-CE2 4.36Å; M75-F202 HydrophobicContact CE-CG 3.88Å; M75-F202 HydrophobicContact SD-CB 3.55Å; M75-F202 VanDerWaalsContact SD-CB 3.55Å; M75-F202 HydrophobicContact SD-CD2 4.28Å; M75-F202 HydrophobicContact SD-CG 3.98Å; M75-Y215 HydrophobicContact CE-CD1 4.08Å; M75-Y215 HydrophobicContact CE-CG 4.45Å; M75-Y217 HydrophobicContact CB-CD1 3.73Å; M75-Y217 HydrophobicContact CB-CE1 4.46Å
76	R	98.6	Very high	96.4	Very high	22 Å²	22	31.6 Å²	31.6	8%	0.083	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	130.6	174.1	175.3	179.9	178.2	-98.5	15.2	110.6	L51 G78 N90 L214 Y215 T216 Y217	L51-R76 HydrophobicContact CD2-CB 3.96Å; R76-G78 PolarHBondContact NH1-O 2.83Å; R76-G78 VanDerWaalsContact NH1-O 3.12Å; R76-G78 PolarHBondContact O-N 2.85Å; R76-N90 PolarHBondContact NH2-OD1 3.29Å; R76-L214 HydrophobicContact CB-CD1 4.43Å; R76-Y215 PolarHBondContact N-O 2.82Å; R76-T216 HydrophobicContact CB-CG2 3.99Å; R76-T216 HydrophobicContact CG-CG2 4.43Å; R76-T216 CarbonylContact O-C 3.56Å; R76-T216 WeakPolarHBondContact O-CA 3.35Å; R76-Y217 WeakPolarHBondContact O-CD1 3.11Å; R76-Y217 PolarHBondContact O-N 2.98Å
77	W	98.5	Very high	96.5	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	119.1	172.3	-170.3	-0.9	0	0	0	110.7	T5 P48 Q49 S50 N97 Y217 V219	T5-W77 HydrophobicContact CG2-CH2 3.98Å; T5-W77 HydrophobicContact CG2-CZ3 4.03Å; P48-W77 HydrophobicContact CG-CD2 4.47Å; Q49-W77 VanDerWaalsContact CA-O 3.28Å; Q49-W77 WeakPolarHBondContact CA-O 3.34Å; Q49-W77 PolarHBondContact N-O 3.37Å; S50-W77 PolarHBondContact O-N 3.38Å; W77-N97 PolarHBondContact NE1-O 2.73Å; W77-Y217 HydrophobicContact CB-CE1 3.76Å; W77-Y217 HydrophobicContact CB-CE2 4.11Å; W77-Y217 VanDerWaalsContact CB-CZ 3.49Å; W77-Y217 WeakPolarHBondContact CB-OH 3.28Å; W77-Y217 AromaticContact CD1-CE2 3.61Å; W77-Y217 AromaticContact CD1-CZ 3.92Å; W77-Y217 HydrophobicContact CD2-CE2 4.3Å; W77-Y217 HydrophobicContact CG-CE1 4.33Å; W77-Y217 AromaticContact CG-CE2 3.77Å; W77-Y217 HydrophobicContact CG-CE2 3.77Å; W77-Y217 AromaticContact CG-CZ 3.6Å; W77-V219 HydrophobicContact CZ2-CG2 4Å
78	G	98.1	Very high	96.9	Very high	2 Å²	2	34.8 Å²	34.8	2%	0.021	17%	0.17	C	C	.	.	S	Bend	trans	118.5	93.8	-177.5	0	0	0	0	0	109	R76 V80 T216 Y217	R76-G78 PolarHBondContact NH1-O 2.83Å; R76-G78 VanDerWaalsContact NH1-O 3.12Å; R76-G78 PolarHBondContact O-N 2.85Å; G78-V80 PolarHBondContact O-N 2.67Å; G78-T216 WeakPolarHBondContact O-CB 3.3Å; G78-Y217 CarbonylContact C-O 3.59Å; G78-Y217 WeakPolarHBondContact CA-O 3.04Å; G78-Y217 PolarHBondContact N-O 3.09Å
79	L	98.3	Very high	97.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.172	C	C	.	.			trans	-61.3	125.2	-172.9	-174.4	151	0	0	0	111.4	P81 T96 Y110 D203 T216 Y217 T218	L79-P81 HydrophobicContact CD2-CB 4.36Å; L79-P81 HydrophobicContact CD2-CG 3.83Å; L79-T96 PolarHBondContact N-O 2.9Å; L79-T96 PolarHBondContact N-OG1 2.99Å; L79-T96 VanDerWaalsContact O-CB 3.28Å; L79-T96 WeakPolarHBondContact O-CB 3.39Å; L79-T96 PolarHBondContact O-OG1 2.82Å; L79-Y110 HydrophobicContact CD1-CD1 4.4Å; L79-D203 HydrophobicContact CD1-CB 4.27Å; L79-D203 HydrophobicContact CD2-CB 4.33Å; L79-D203 HydrophobicContact CG-CB 4.17Å; L79-T216 WeakPolarHBondContact CA-OG1 3.31Å; L79-Y217 PolarHBondContact N-O 2.96Å; L79-Y217 VanDerWaalsContact N-O 3.14Å; L79-T218 HydrophobicContact CB-CG2 4.45Å; L79-T218 HydrophobicContact CD1-CG2 3.87Å
80	V	98.1	Very high	97	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	18%	0.182	C	C	.	.			trans	-104.6	108.7	171.7	-177.6	0	0	0	0	106.5	G78 F84 P89 W205 L214 T216	G78-V80 PolarHBondContact O-N 2.67Å; V80-F84 HydrophobicContact CG1-CB 4.03Å; V80-F84 HydrophobicContact CG1-CD1 3.65Å; V80-F84 HydrophobicContact CG1-CE1 4.46Å; V80-F84 HydrophobicContact CG1-CG 4.13Å; V80-P89 HydrophobicContact CG1-CB 4.5Å; V80-P89 HydrophobicContact CG2-CB 3.72Å; V80-W205 HydrophobicContact CB-CB 4.19Å; V80-W205 HydrophobicContact CB-CG 4.4Å; V80-W205 HydrophobicContact CG1-CB 3.81Å; V80-W205 HydrophobicContact CG1-CD2 3.69Å; V80-W205 HydrophobicContact CG1-CE3 4.13Å; V80-W205 HydrophobicContact CG1-CG 3.52Å; V80-L214 HydrophobicContact CG2-CD2 4.44Å; V80-T216 HydrophobicContact CB-CG2 4.07Å; V80-T216 HydrophobicContact CG2-CG2 3.84Å; V80-T216 PolarHBondContact N-OG1 3.23Å
81	P	97.1	Very high	96.8	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.019	20%	0.203	C	C	.	.			trans	-63.3	144.5	-177.4	-21.4	32.5	0	0	0	111.5	L79 W83 F84 D203	L79-P81 HydrophobicContact CD2-CB 4.36Å; L79-P81 HydrophobicContact CD2-CG 3.83Å; P81-W83 HydrophobicContact CB-CD2 3.98Å; P81-W83 VanDerWaalsContact CB-CE2 3.45Å; P81-W83 HydrophobicContact CB-CG 4.13Å; P81-W83 HydrophobicContact CB-CZ2 3.89Å; P81-W83 VanDerWaalsContact CB-NE1 3.28Å; P81-W83 HydrophobicContact CG-CH2 4.46Å; P81-W83 HydrophobicContact CG-CZ2 3.8Å; P81-W83 PolarHBondContact O-N 2.9Å; P81-F84 WeakPolarHBondContact O-CB 3.38Å; P81-F84 PolarHBondContact O-N 3.05Å; P81-D203 WeakPolarHBondContact CA-OD2 3.35Å
82	A	96.8	Very high	96.5	Very high	46 Å²	46	43.2 Å²	43.2	38%	0.38	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-26	178.1	0	0	0	0	0	113.9	D203	A82-D203 PolarHBondContact N-OD2 3.08Å
83	W	95.4	Very high	96.1	Very high	120 Å²	120	51 Å²	51	46%	0.455	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-6.6	179.3	56.5	-101.5	0	0	0	114.4	P81 K85	P81-W83 HydrophobicContact CB-CD2 3.98Å; P81-W83 VanDerWaalsContact CB-CE2 3.45Å; P81-W83 HydrophobicContact CB-CG 4.13Å; P81-W83 HydrophobicContact CB-CZ2 3.89Å; P81-W83 VanDerWaalsContact CB-NE1 3.28Å; P81-W83 HydrophobicContact CG-CH2 4.46Å; P81-W83 HydrophobicContact CG-CZ2 3.8Å; P81-W83 PolarHBondContact O-N 2.9Å; W83-K85 WeakPolarHBondContact O-CD 3.33Å; W83-K85 VanDerWaalsContact O-CE 3.31Å; W83-K85 WeakPolarHBondContact O-CE 3.42Å; W83-K85 WeakPolarHBondContact O-CG 3.4Å
84	F	96.6	Very high	95.7	Very high	24 Å²	24	59.3 Å²	59.3	11%	0.105	28%	0.28	C	S	.	.			trans	-62.6	135	-178.8	-175.8	-118.1	0	0	0	111.9	V80 P81 E86 K91 M92 W205	V80-F84 HydrophobicContact CG1-CB 4.03Å; V80-F84 HydrophobicContact CG1-CD1 3.65Å; V80-F84 HydrophobicContact CG1-CE1 4.46Å; V80-F84 HydrophobicContact CG1-CG 4.13Å; P81-F84 WeakPolarHBondContact O-CB 3.38Å; P81-F84 PolarHBondContact O-N 3.05Å; F84-E86 HydrophobicContact CD1-CB 4.48Å; F84-E86 HydrophobicContact CE1-CB 3.64Å; F84-E86 HydrophobicContact CE1-CG 4.42Å; F84-E86 HydrophobicContact CE2-CB 4.19Å; F84-E86 HydrophobicContact CE2-CG 4.12Å; F84-E86 HydrophobicContact CZ-CB 3.47Å; F84-E86 VanDerWaalsContact CZ-CB 3.47Å; F84-E86 HydrophobicContact CZ-CG 3.76Å; F84-K91 HydrophobicContact CZ-CB 4.35Å; F84-M92 HydrophobicContact CE2-CB 4.28Å; F84-M92 HydrophobicContact CE2-CG 4.22Å; F84-M92 HydrophobicContact CZ-CB 4.05Å; F84-M92 HydrophobicContact CZ-CG 4.44Å; F84-W205 HydrophobicContact CD1-CZ2 4.38Å; F84-W205 AromaticContact CD1-NE1 3.99Å; F84-W205 PolarHBondContact O-NE1 3.16Å
85	K	95.4	Very high	95.4	Very high	167 Å²	167	62.6 Å²	62.6	73%	0.726	30%	0.304	S	S	*	.			trans	-111.3	-5.4	-165.7	-60.6	-57.8	-175.7	-179.5	0	115.7	W83 P208	W83-K85 WeakPolarHBondContact O-CD 3.33Å; W83-K85 VanDerWaalsContact O-CE 3.31Å; W83-K85 WeakPolarHBondContact O-CE 3.42Å; W83-K85 WeakPolarHBondContact O-CG 3.4Å; K85-P208 WeakPolarHBondContact O-CG 3.44Å
86	E	96.1	Very high	95.3	Very high	85 Å²	85	62.9 Å²	62.9	40%	0.397	31%	0.306	S	S	.	.			trans	-81.7	148.1	172.9	-67.6	-69.6	151.1	0	0	110.5	F84 D88 K91 W205	F84-E86 HydrophobicContact CD1-CB 4.48Å; F84-E86 HydrophobicContact CE1-CB 3.64Å; F84-E86 HydrophobicContact CE1-CG 4.42Å; F84-E86 HydrophobicContact CE2-CB 4.19Å; F84-E86 HydrophobicContact CE2-CG 4.12Å; F84-E86 HydrophobicContact CZ-CB 3.47Å; F84-E86 VanDerWaalsContact CZ-CB 3.47Å; F84-E86 HydrophobicContact CZ-CG 3.76Å; E86-D88 VanDerWaalsContact C-N 3.3Å; E86-D88 PolarHBondContact O-N 2.63Å; E86-K91 HydrophobicContact CB-CB 4.15Å; E86-K91 HydrophobicContact CB-CD 4.02Å; E86-K91 HydrophobicContact CG-CB 4.07Å; E86-K91 HydrophobicContact CG-CD 4Å; E86-K91 WeakPolarHBondContact OE2-CD 3.23Å; E86-K91 IonicContact OE2-NZ 3.32Å; E86-K91 PolarHBondContact OE2-NZ 2.86Å; E86-W205 WeakPolarHBondContact O-CZ2 3.24Å
87	N	94.6	Very high	95.2	Very high	86 Å²	86	63.5 Å²	63.5	46%	0.46	31%	0.311	S	S	.	.	S	Bend	trans	-73.1	-19	178	-67.7	-42.2	0	0	0	114.2	W205 P208 S209	N87-W205 WeakPolarHBondContact O-CH2 3.19Å; N87-P208 WeakPolarHBondContact OD1-CD 3.49Å; N87-S209 WeakPolarHBondContact OD1-CB 3.25Å; N87-S209 PolarHBondContact OD1-N 3.35Å; N87-S209 PolarHBondContact OD1-OG 3.23Å
88	D	94.8	Very high	95.2	Very high	65 Å²	65	64.5 Å²	64.5	35%	0.348	32%	0.316	S	S	.	.			trans	-110.2	117.2	179.5	178.1	2.5	0	0	0	110	E86 N90 K91	E86-D88 VanDerWaalsContact C-N 3.3Å; E86-D88 PolarHBondContact O-N 2.63Å; D88-N90 PolarHBondContact O-N 3.4Å; D88-N90 VanDerWaalsContact O-N 3.09Å; D88-N90 VanDerWaalsContact OD1-CB 3.29Å; D88-N90 WeakPolarHBondContact OD1-CB 3.13Å; D88-N90 PolarHBondContact OD1-N 2.82Å; D88-N90 PolarHBondContact OD1-ND2 3.02Å; D88-K91 HydrophobicContact CB-CD 4.23Å; D88-K91 HydrophobicContact CB-CG 4.06Å; D88-K91 WeakPolarHBondContact O-CB 3.25Å; D88-K91 PolarHBondContact O-N 2.81Å
89	P	94.3	Very high	95.2	Very high	25 Å²	25	64.5 Å²	64.5	16%	0.162	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-62.1	-15.7	178.4	27.7	-36.8	0	0	0	113.7	V80 K91 W205 L214	V80-P89 HydrophobicContact CG1-CB 4.5Å; V80-P89 HydrophobicContact CG2-CB 3.72Å; P89-K91 VanDerWaalsContact C-N 3.3Å; P89-W205 HydrophobicContact CB-CZ3 4.23Å; P89-W205 HydrophobicContact CG-CZ3 4.27Å; P89-L214 HydrophobicContact CB-CD2 3.91Å; P89-L214 HydrophobicContact CG-CD2 3.96Å
90	N	93.8	Very high	95.1	Very high	86 Å²	86	69.3 Å²	69.3	46%	0.46	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-79.1	-11.9	176.1	-57.3	-47.5	0	0	0	113.2	R76 D88 M92	R76-N90 PolarHBondContact NH2-OD1 3.29Å; D88-N90 PolarHBondContact O-N 3.4Å; D88-N90 VanDerWaalsContact O-N 3.09Å; D88-N90 VanDerWaalsContact OD1-CB 3.29Å; D88-N90 WeakPolarHBondContact OD1-CB 3.13Å; D88-N90 PolarHBondContact OD1-N 2.82Å; D88-N90 PolarHBondContact OD1-ND2 3.02Å; N90-M92 PolarHBondContact O-N 2.96Å
91	K	94.2	Very high	95.1	Very high	116 Å²	116	70.7 Å²	70.7	50%	0.504	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-79.8	1.5	174.3	-68.3	-177.1	179.6	-171.6	0	114	F84 E86 D88 P89 Q93	F84-K91 HydrophobicContact CZ-CB 4.35Å; E86-K91 HydrophobicContact CB-CB 4.15Å; E86-K91 HydrophobicContact CB-CD 4.02Å; E86-K91 HydrophobicContact CG-CB 4.07Å; E86-K91 HydrophobicContact CG-CD 4Å; E86-K91 WeakPolarHBondContact OE2-CD 3.23Å; E86-K91 IonicContact OE2-NZ 3.32Å; E86-K91 PolarHBondContact OE2-NZ 2.86Å; D88-K91 HydrophobicContact CB-CD 4.23Å; D88-K91 HydrophobicContact CB-CG 4.06Å; D88-K91 WeakPolarHBondContact O-CB 3.25Å; D88-K91 PolarHBondContact O-N 2.81Å; P89-K91 VanDerWaalsContact C-N 3.3Å; K91-Q93 PolarHBondContact O-N 3.23Å
92	M	92.1	Very high	95	Very high	42 Å²	42	75 Å²	75	21%	0.207	36%	0.363	C	S	.	.			trans	-65.5	121.5	178.6	-158.6	-85.6	-66.7	0	0	109.6	F84 N90 Y94 T96	F84-M92 HydrophobicContact CE2-CB 4.28Å; F84-M92 HydrophobicContact CE2-CG 4.22Å; F84-M92 HydrophobicContact CZ-CB 4.05Å; F84-M92 HydrophobicContact CZ-CG 4.44Å; N90-M92 PolarHBondContact O-N 2.96Å; M92-Y94 WeakPolarHBondContact CE-O 3.37Å; M92-Y94 PolarHBondContact O-N 3.16Å; M92-Y94 PolarHBondContact SD-N 3.1Å; M92-T96 HydrophobicContact CE-CG2 3.47Å; M92-T96 VanDerWaalsContact CE-CG2 3.47Å; M92-T96 WeakPolarHBondContact CE-OG1 3.19Å; M92-T96 HydrophobicContact SD-CG2 4.02Å
93	Q	89.4	Confident	94.9	Very high	163 Å²	163	73.4 Å²	73.4	76%	0.762	35%	0.349	S	S	*	.			trans	-79	-18.4	-166.1	-64	-180	2.7	0	0	114.3	K91	K91-Q93 PolarHBondContact O-N 3.23Å
94	Y	89.3	Confident	94.9	Very high	177 Å²	177	67.7 Å²	67.7	69%	0.694	33%	0.328	S	S	*	.	S	Bend	trans	-110.3	164.6	-177.4	-51.5	-68.2	0	0	0	110.1	M92	M92-Y94 WeakPolarHBondContact CE-O 3.37Å; M92-Y94 PolarHBondContact O-N 3.16Å; M92-Y94 PolarHBondContact SD-N 3.1Å
95	S	93.1	Very high	94.9	Very high	83 Å²	83	70 Å²	70	58%	0.58	34%	0.34	S	S	*	.			trans	-90.3	124.9	171.6	-179.4	0	0	0	0	110	N97	S95-N97 PolarHBondContact OG-ND2 2.86Å
96	T	96.6	Very high	94.9	Very high	7 Å²	7	69.2 Å²	69.2	4%	0.043	34%	0.34	C	S	.	.			trans	-117.2	19.5	174.4	55.6	0	0	0	0	111.5	L79 M92 N98 T218	L79-T96 PolarHBondContact N-O 2.9Å; L79-T96 PolarHBondContact N-OG1 2.99Å; L79-T96 VanDerWaalsContact O-CB 3.28Å; L79-T96 WeakPolarHBondContact O-CB 3.39Å; L79-T96 PolarHBondContact O-OG1 2.82Å; M92-T96 HydrophobicContact CE-CG2 3.47Å; M92-T96 VanDerWaalsContact CE-CG2 3.47Å; M92-T96 WeakPolarHBondContact CE-OG1 3.19Å; M92-T96 HydrophobicContact SD-CG2 4.02Å; T96-N98 PolarHBondContact O-N 2.81Å; T96-T218 WeakPolarHBondContact O-CB 3.32Å; T96-T218 PolarHBondContact O-OG1 3.45Å
97	N	97.6	Very high	94.9	Very high	35 Å²	35	70.3 Å²	70.3	19%	0.187	34%	0.343	C	S	.	.	S	Bend	trans	-63	-34.4	176.8	-57.5	-22.3	0	0	0	111.2	P48 W77 S95 T218 V219	P48-N97 WeakPolarHBondContact CB-ND2 3.47Å; P48-N97 WeakPolarHBondContact CB-OD1 3.41Å; P48-N97 HydrophobicContact CG-CB 4.14Å; P48-N97 WeakPolarHBondContact CG-ND2 3.44Å; W77-N97 PolarHBondContact NE1-O 2.73Å; S95-N97 PolarHBondContact OG-ND2 2.86Å; N97-T218 PolarHBondContact O-OG1 3.23Å; N97-V219 PolarHBondContact O-N 2.99Å
98	N	98.3	Very high	94.9	Very high	21 Å²	21	71.9 Å²	71.9	11%	0.112	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	150	177.6	-52.6	101.3	0	0	0	110.8	M1 C2 T96 Y110 T218 V219 T221	M1-N98 HydrophobicContact SD-CB 3.95Å; C2-N98 PolarHBondContact O-ND2 3.36Å; C2-N98 PolarHBondContact O-OD1 2.9Å; T96-N98 PolarHBondContact O-N 2.81Å; N98-Y110 PolarHBondContact O-OH 3.12Å; N98-T218 WeakPolarHBondContact CA-OG1 3.18Å; N98-T218 PolarHBondContact N-OG1 3.31Å; N98-V219 CarbonylContact C-O 3.51Å; N98-V219 WeakPolarHBondContact CA-O 3.02Å; N98-T221 HydrophobicContact CB-CG2 3.85Å
99	C	96.6	Very high	94.9	Very high	2 Å²	2	70 Å²	70	1%	0.014	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	133.2	167.3	62.9	0	0	0	0	109.9	L104 Y110 T218 V219 I220 T221	C99-L104 HydrophobicContact CB-CD2 4.17Å; C99-L104 VanDerWaalsContact SG-CD2 3.54Å; C99-Y110 HydrophobicContact CB-CD1 3.91Å; C99-Y110 HydrophobicContact CB-CD2 3.56Å; C99-Y110 HydrophobicContact CB-CE1 3.77Å; C99-Y110 HydrophobicContact CB-CE2 3.4Å; C99-Y110 VanDerWaalsContact CB-CE2 3.4Å; C99-Y110 HydrophobicContact CB-CG 3.82Å; C99-T218 HydrophobicContact CB-CG2 4.07Å; C99-T218 PolarHBondContact N-OG1 2.99Å; C99-T218 WeakPolarHBondContact SG-CG2 3.47Å; C99-V219 PolarHBondContact N-O 3.23Å; C99-I220 CarbonylContact O-C 3.5Å; C99-I220 WeakPolarHBondContact O-CA 3.43Å; C99-I220 VanDerWaalsContact SG-CG1 3.58Å; C99-T221 PolarHBondContact O-N 3.47Å; C99-T221 PolarHBondContact O-OG1 2.92Å
100	R	97.4	Very high	95.1	Very high	102 Å²	102	69.5 Å²	69.5	39%	0.385	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	128.8	177.3	-74.3	-170.7	75	112.7	-5	109.9	E102 S103 L104 R234	R100-E102 VanDerWaalsContact CB-OE2 3.31Å; R100-E102 WeakPolarHBondContact CB-OE2 3.47Å; R100-E102 IonicContact NE-OE2 2.72Å; R100-E102 PolarHBondContact NE-OE2 3.37Å; R100-E102 PolarHBondContact O-N 3.29Å; R100-S103 PolarHBondContact O-N 2.77Å; R100-S103 PolarHBondContact O-OG 3.21Å; R100-S103 VanDerWaalsContact O-OG 3.09Å; R100-L104 PolarHBondContact O-N 3.39Å; R100-R234 VanDerWaalsContact NH2-CZ 3.31Å
101	S	97.3	Very high	95.3	Very high	30 Å²	30	69.5 Å²	69.5	21%	0.21	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-53.3	-36.2	-179.2	53.1	0	0	0	0	112.3	S103 T221	S101-S103 VanDerWaalsContact C-N 3.26Å; S101-S103 PolarHBondContact O-N 2.71Å; S101-T221 PolarHBondContact N-O 3.3Å; S101-T221 PolarHBondContact OG-O 2.88Å
102	E	95.6	Very high	95.4	Very high	92 Å²	92	66.2 Å²	66.2	43%	0.43	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-66	-28	-178.5	-51.7	83.8	177.5	0	0	112.6	R100 R234	R100-E102 VanDerWaalsContact CB-OE2 3.31Å; R100-E102 WeakPolarHBondContact CB-OE2 3.47Å; R100-E102 IonicContact NE-OE2 2.72Å; R100-E102 PolarHBondContact NE-OE2 3.37Å; R100-E102 PolarHBondContact O-N 3.29Å; E102-R234 IonicContact OE1-CZ 3Å; E102-R234 IonicContact OE1-NH1 3.92Å; E102-R234 PolarHBondContact OE1-NH1 3.21Å; E102-R234 IonicContact OE1-NH2 2.76Å; E102-R234 PolarHBondContact OE1-NH2 2.7Å; E102-R234 VanDerWaalsContact OE1-NH2 3.16Å; E102-R234 IonicContact OE2-CZ 3.68Å; E102-R234 IonicContact OE2-NH1 3.42Å; E102-R234 IonicContact OE2-NH2 2.59Å; E102-R234 PolarHBondContact OE2-NH2 2.96Å
103	S	94.1	Very high	95.7	Very high	13 Å²	13	64.3 Å²	64.3	9%	0.091	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-106.5	8.3	-173.6	67.4	0	0	0	0	114.3	R100 S101 L105 E106 K107	R100-S103 PolarHBondContact O-N 2.77Å; R100-S103 PolarHBondContact O-OG 3.21Å; R100-S103 VanDerWaalsContact O-OG 3.09Å; S101-S103 VanDerWaalsContact C-N 3.26Å; S101-S103 PolarHBondContact O-N 2.71Å; S103-L105 VanDerWaalsContact C-N 3.32Å; S103-L105 PolarHBondContact O-N 3.08Å; S103-E106 PolarHBondContact O-N 2.88Å; S103-K107 PolarHBondContact O-N 2.64Å
104	L	95.2	Very high	96.1	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-39.7	-174.2	-80.4	174.1	0	0	0	113.1	C99 R100 Y110 K111 L114 L201 I220 L260 L263	C99-L104 HydrophobicContact CB-CD2 4.17Å; C99-L104 VanDerWaalsContact SG-CD2 3.54Å; R100-L104 PolarHBondContact O-N 3.39Å; L104-Y110 HydrophobicContact CD2-CG 4.44Å; L104-K111 WeakPolarHBondContact O-CA 3.38Å; L104-K111 PolarHBondContact O-N 3.06Å; L104-K111 VanDerWaalsContact O-N 3.15Å; L104-L114 HydrophobicContact CB-CD2 4.42Å; L104-L201 HydrophobicContact CD2-CD1 3.64Å; L104-I220 HydrophobicContact CD1-CD1 4.19Å; L104-I220 HydrophobicContact CD1-CG2 4.2Å; L104-L260 HydrophobicContact CD1-CD2 3.57Å; L104-L263 HydrophobicContact CD1-CD1 3.97Å
105	L	96.4	Very high	96.5	Very high	71 Å²	71	52.9 Å²	52.9	37%	0.372	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-10.2	-177.3	-65.4	174.7	0	0	0	113.8	S103 K111 L114 L257 L260	S103-L105 VanDerWaalsContact C-N 3.32Å; S103-L105 PolarHBondContact O-N 3.08Å; L105-K111 VanDerWaalsContact O-CD 3.26Å; L105-K111 WeakPolarHBondContact O-CD 3.45Å; L105-L114 HydrophobicContact CD2-CD2 3.8Å; L105-L257 HydrophobicContact CD1-CD2 3.91Å; L105-L257 HydrophobicContact CD2-CD2 4.45Å; L105-L260 HydrophobicContact CD1-CD1 4.08Å; L105-L260 HydrophobicContact CD2-CD1 4.36Å; L105-L260 HydrophobicContact CG-CD1 4.19Å
106	E	96.2	Very high	96.7	Very high	152 Å²	152	54.6 Å²	54.6	71%	0.71	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-41.8	-177.6	-59.4	174.4	171.3	0	0	111.1	S103	S103-E106 PolarHBondContact O-N 2.88Å
107	K	94.9	Very high	96.7	Very high	107 Å²	107	54.4 Å²	54.4	47%	0.465	26%	0.26	S	S	.	.			trans	-88.3	118.1	-174.2	-65.7	-178.4	178.5	179.5	0	111	S103 S109 Y110 K111	S103-K107 PolarHBondContact O-N 2.64Å; K107-S109 PolarHBondContact O-N 3.36Å; K107-S109 VanDerWaalsContact O-N 3.13Å; K107-Y110 HydrophobicContact CB-CD2 3.73Å; K107-Y110 HydrophobicContact CB-CE2 4.25Å; K107-Y110 HydrophobicContact CD-CD2 3.97Å; K107-Y110 HydrophobicContact CD-CE2 3.76Å; K107-Y110 HydrophobicContact CG-CD2 4.45Å; K107-Y110 PolarHBondContact O-N 2.76Å; K107-K111 WeakPolarHBondContact O-CB 3.21Å; K107-K111 PolarHBondContact O-N 2.76Å
108	K	94.8	Very high	96.8	Very high	120 Å²	120	53.8 Å²	53.8	52%	0.522	26%	0.256	S	S	.	.	H	α-helix	trans	-49.8	-41	179.4	-172.7	176.1	176.8	60.3	0	113.6	Y110 D112	K108-Y110 PolarHBondContact O-N 2.59Å; K108-Y110 VanDerWaalsContact O-N 3.09Å; K108-D112 WeakPolarHBondContact CE-OD2 3.2Å; K108-D112 VanDerWaalsContact CG-OD2 3.32Å; K108-D112 WeakPolarHBondContact CG-OD2 3.47Å; K108-D112 IonicContact NZ-OD1 2.87Å; K108-D112 IonicContact NZ-OD2 3.94Å; K108-D112 PolarHBondContact NZ-OD2 2.75Å; K108-D112 WeakPolarHBondContact O-CB 3.47Å; K108-D112 PolarHBondContact O-N 3.4Å; K108-D112 VanDerWaalsContact O-N 3.14Å
109	S	96.2	Very high	96.8	Very high	26 Å²	26	52.8 Å²	52.8	18%	0.182	25%	0.25	C	S	.	.	H	α-helix	trans	-59.3	-19.3	178.4	-52.1	0	0	0	0	114.7	K107 P113	K107-S109 PolarHBondContact O-N 3.36Å; K107-S109 VanDerWaalsContact O-N 3.13Å; S109-P113 WeakPolarHBondContact O-CG 3.4Å
110	Y	97.6	Very high	96.9	Very high	13 Å²	13	52.7 Å²	52.7	5%	0.051	25%	0.25	C	C	.	.	H	α-helix	trans	-116.9	-37.9	-179.3	-50.7	-44.4	0	0	0	111.7	L79 N98 C99 L104 K107 K108 P113 L114 T218	L79-Y110 HydrophobicContact CD1-CD1 4.4Å; N98-Y110 PolarHBondContact O-OH 3.12Å; C99-Y110 HydrophobicContact CB-CD1 3.91Å; C99-Y110 HydrophobicContact CB-CD2 3.56Å; C99-Y110 HydrophobicContact CB-CE1 3.77Å; C99-Y110 HydrophobicContact CB-CE2 3.4Å; C99-Y110 VanDerWaalsContact CB-CE2 3.4Å; C99-Y110 HydrophobicContact CB-CG 3.82Å; L104-Y110 HydrophobicContact CD2-CG 4.44Å; K107-Y110 HydrophobicContact CB-CD2 3.73Å; K107-Y110 HydrophobicContact CB-CE2 4.25Å; K107-Y110 HydrophobicContact CD-CD2 3.97Å; K107-Y110 HydrophobicContact CD-CE2 3.76Å; K107-Y110 HydrophobicContact CG-CD2 4.45Å; K107-Y110 PolarHBondContact O-N 2.76Å; K108-Y110 PolarHBondContact O-N 2.59Å; K108-Y110 VanDerWaalsContact O-N 3.09Å; Y110-P113 WeakPolarHBondContact O-CD 3.32Å; Y110-L114 WeakPolarHBondContact O-CB 3.3Å; Y110-L114 PolarHBondContact O-N 2.89Å; Y110-T218 HydrophobicContact CD1-CG2 3.95Å; Y110-T218 HydrophobicContact CE1-CG2 3.9Å
111	K	97.8	Very high	97	Very high	87 Å²	87	47.9 Å²	47.9	38%	0.378	23%	0.231	S	C	.	.	H	α-helix	trans	-58.5	-50.6	176.7	-173.3	-168.2	-170.7	166.4	0	111.6	L104 L105 K107 L114 L115	L104-K111 WeakPolarHBondContact O-CA 3.38Å; L104-K111 PolarHBondContact O-N 3.06Å; L104-K111 VanDerWaalsContact O-N 3.15Å; L105-K111 VanDerWaalsContact O-CD 3.26Å; L105-K111 WeakPolarHBondContact O-CD 3.45Å; K107-K111 WeakPolarHBondContact O-CB 3.21Å; K107-K111 PolarHBondContact O-N 2.76Å; K111-L114 PolarHBondContact O-N 3.18Å; K111-L115 HydrophobicContact CD-CD1 4.43Å; K111-L115 HydrophobicContact CG-CD1 3.93Å; K111-L115 HydrophobicContact CG-CG 4.35Å; K111-L115 WeakPolarHBondContact O-CB 3.49Å; K111-L115 VanDerWaalsContact O-CG 3.3Å; K111-L115 WeakPolarHBondContact O-CG 3.46Å; K111-L115 PolarHBondContact O-N 3.16Å
112	D	97.3	Very high	97	Very high	47 Å²	47	46.5 Å²	46.5	25%	0.251	22%	0.222	S	C	.	.	H	α-helix	trans	-62.8	-48.4	-175.7	-69	-0.1	0	0	0	110.7	K108 L114 L115 K116	K108-D112 WeakPolarHBondContact CE-OD2 3.2Å; K108-D112 VanDerWaalsContact CG-OD2 3.32Å; K108-D112 WeakPolarHBondContact CG-OD2 3.47Å; K108-D112 IonicContact NZ-OD1 2.87Å; K108-D112 IonicContact NZ-OD2 3.94Å; K108-D112 PolarHBondContact NZ-OD2 2.75Å; K108-D112 WeakPolarHBondContact O-CB 3.47Å; K108-D112 PolarHBondContact O-N 3.4Å; K108-D112 VanDerWaalsContact O-N 3.14Å; D112-L114 PolarHBondContact O-N 3.05Å; D112-L115 PolarHBondContact O-N 3.43Å; D112-K116 VanDerWaalsContact O-CG 3.3Å; D112-K116 WeakPolarHBondContact O-CG 3.47Å; D112-K116 PolarHBondContact O-N 2.96Å
113	P	98.1	Very high	97.2	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-60.4	-42.4	173.7	-28	36.2	0	0	0	115.3	S109 Y110 L115 K116 G117 Q118 F202 D203	S109-P113 WeakPolarHBondContact O-CG 3.4Å; Y110-P113 WeakPolarHBondContact O-CD 3.32Å; P113-L115 VanDerWaalsContact C-N 3.31Å; P113-L115 PolarHBondContact O-N 2.93Å; P113-K116 CarbonylContact O-C 3.59Å; P113-K116 PolarHBondContact O-N 2.79Å; P113-G117 PolarHBondContact O-N 3.44Å; P113-Q118 HydrophobicContact CB-CB 4.05Å; P113-Q118 VanDerWaalsContact CB-OE1 3.31Å; P113-Q118 WeakPolarHBondContact O-CB 3.49Å; P113-Q118 PolarHBondContact O-N 2.7Å; P113-F202 WeakPolarHBondContact CB-O 3.4Å; P113-D203 HydrophobicContact CG-CB 4.08Å
114	L	98.3	Very high	97.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.8	-41.4	177.9	175	65.5	0	0	0	111.9	L104 L105 Y110 K111 D112 G117 R119 L201 S256 L260	L104-L114 HydrophobicContact CB-CD2 4.42Å; L105-L114 HydrophobicContact CD2-CD2 3.8Å; Y110-L114 WeakPolarHBondContact O-CB 3.3Å; Y110-L114 PolarHBondContact O-N 2.89Å; K111-L114 PolarHBondContact O-N 3.18Å; D112-L114 PolarHBondContact O-N 3.05Å; L114-G117 PolarHBondContact O-N 3.18Å; L114-R119 HydrophobicContact CD1-CG 4.4Å; L114-L201 HydrophobicContact CB-CD1 4.04Å; L114-L201 HydrophobicContact CB-CD2 4.13Å; L114-L201 HydrophobicContact CD1-CD2 3.98Å; L114-S256 PolarHBondContact O-OG 2.65Å; L114-L260 HydrophobicContact CD1-CD2 4.34Å; L114-L260 HydrophobicContact CD2-CD1 4.15Å; L114-L260 HydrophobicContact CD2-CD2 4.01Å; L114-L260 HydrophobicContact CD2-CG 4.32Å
115	L	97.2	Very high	97.6	Very high	101 Å²	101	41.9 Å²	41.9	53%	0.529	20%	0.199	S	C	.	.	H	α-helix	trans	-73.2	-27.9	178.6	-67.7	179.7	0	0	0	112.8	K111 D112 P113 G117	K111-L115 HydrophobicContact CD-CD1 4.43Å; K111-L115 HydrophobicContact CG-CD1 3.93Å; K111-L115 HydrophobicContact CG-CG 4.35Å; K111-L115 WeakPolarHBondContact O-CB 3.49Å; K111-L115 VanDerWaalsContact O-CG 3.3Å; K111-L115 WeakPolarHBondContact O-CG 3.46Å; K111-L115 PolarHBondContact O-N 3.16Å; D112-L115 PolarHBondContact O-N 3.43Å; P113-L115 VanDerWaalsContact C-N 3.31Å; P113-L115 PolarHBondContact O-N 2.93Å; L115-G117 PolarHBondContact O-N 2.88Å
116	K	96.9	Very high	97.7	Very high	118 Å²	118	38.5 Å²	38.5	51%	0.513	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-1.1	170.7	-68.5	171.1	-174.3	175.8	0	113.3	D112 P113 Q118	D112-K116 VanDerWaalsContact O-CG 3.3Å; D112-K116 WeakPolarHBondContact O-CG 3.47Å; D112-K116 PolarHBondContact O-N 2.96Å; P113-K116 CarbonylContact O-C 3.59Å; P113-K116 PolarHBondContact O-N 2.79Å; K116-Q118 VanDerWaalsContact C-N 3.28Å; K116-Q118 HydrophobicContact CB-CG 4.02Å; K116-Q118 PolarHBondContact O-N 2.9Å
117	G	97.5	Very high	97.8	Very high	4 Å²	4	31.4 Å²	31.4	4%	0.041	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	14.9	-177.3	0	0	0	0	0	114.1	H60 P113 L114 L115 R119	H60-G117 PolarHBondContact CE1-O 3.01Å; H60-G117 VanDerWaalsContact CE1-O 3.23Å; H60-G117 PolarHBondContact NE2-O 3.41Å; H60-G117 VanDerWaalsContact NE2-O 3.15Å; P113-G117 PolarHBondContact O-N 3.44Å; L114-G117 PolarHBondContact O-N 3.18Å; L115-G117 PolarHBondContact O-N 2.88Å; G117-R119 PolarHBondContact O-N 2.99Å
118	Q	98.4	Very high	98	Very high	21 Å²	21	26.3 Å²	26.3	10%	0.098	13%	0.126	C	C	.	.			trans	-74.6	63.6	-179	-62.9	174.2	-66.5	0	0	111.5	P113 K116 L201 F202 D203	P113-Q118 HydrophobicContact CB-CB 4.05Å; P113-Q118 VanDerWaalsContact CB-OE1 3.31Å; P113-Q118 WeakPolarHBondContact O-CB 3.49Å; P113-Q118 PolarHBondContact O-N 2.7Å; K116-Q118 VanDerWaalsContact C-N 3.28Å; K116-Q118 HydrophobicContact CB-CG 4.02Å; K116-Q118 PolarHBondContact O-N 2.9Å; Q118-L201 WeakPolarHBondContact O-CA 3.35Å; Q118-F202 HydrophobicContact CB-CD1 3.85Å; Q118-F202 HydrophobicContact CB-CD2 4.15Å; Q118-F202 HydrophobicContact CB-CE1 3.65Å; Q118-F202 HydrophobicContact CB-CE2 3.95Å; Q118-F202 HydrophobicContact CB-CG 4.1Å; Q118-F202 HydrophobicContact CB-CZ 3.69Å; Q118-F202 WeakPolarHBondContact CB-O 3.37Å; Q118-F202 HydrophobicContact CG-CD2 4.46Å; Q118-F202 HydrophobicContact CG-CE1 4.33Å; Q118-F202 HydrophobicContact CG-CE2 3.93Å; Q118-F202 HydrophobicContact CG-CZ 3.85Å; Q118-F202 VanDerWaalsContact O-CD1 3.31Å; Q118-F202 WeakPolarHBondContact O-CD1 3.34Å; Q118-F202 PolarHBondContact O-N 2.87Å; Q118-D203 PolarHBondContact NE2-OD1 2.93Å; Q118-D203 PolarHBondContact OE1-OD1 2.9Å
119	R	98.7	Very high	98.2	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	136.3	180	-56.6	-169.7	-52.7	-111.7	8	108.6	L114 G117 L201 R247 W248 D250 F251 V254	L114-R119 HydrophobicContact CD1-CG 4.4Å; G117-R119 PolarHBondContact O-N 2.99Å; R119-L201 HydrophobicContact CG-CD2 3.96Å; R119-R247 PolarHBondContact NH2-O 3.45Å; R119-W248 HydrophobicContact CB-CD2 4.44Å; R119-W248 HydrophobicContact CB-CZ2 4.13Å; R119-W248 HydrophobicContact CG-CZ2 4.13Å; R119-W248 VanDerWaalsContact CZ-O 3.23Å; R119-W248 PolarHBondContact NE-O 3.13Å; R119-W248 PolarHBondContact NH2-O 3.44Å; R119-D250 PolarHBondContact NH2-O 3.32Å; R119-D250 VanDerWaalsContact NH2-O 3.08Å; R119-F251 VanDerWaalsContact NH2-CA 3.3Å; R119-V254 PolarHBondContact NH1-O 2.95Å; R119-V254 PolarHBondContact NH2-O 3.18Å
120	C	98.9	Very high	98.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	161.8	177.4	61.8	0	0	0	0	110.4	V54 L55 L56 G200 F202 W248	V54-C120 HydrophobicContact CB-CB 4.22Å; V54-C120 HydrophobicContact CG2-CB 4.43Å; L55-C120 CarbonylContact O-C 3.59Å; L55-C120 WeakPolarHBondContact O-CA 3.39Å; L56-C120 HydrophobicContact CB-CB 4.27Å; C120-G200 PolarHBondContact N-O 2.96Å; C120-G200 PolarHBondContact O-N 3.32Å; C120-G200 VanDerWaalsContact O-O 3.11Å; C120-F202 HydrophobicContact CB-CD1 3.95Å; C120-W248 PolarHBondContact O-NE1 2.56Å
121	V	98.9	Very high	98.3	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	114.9	168.9	178.7	0	0	0	0	108.1	V54 L55 L123 T197 I198 L239 V245 L249	V54-V121 CarbonylContact C-O 3.52Å; V54-V121 VanDerWaalsContact CA-O 3.26Å; V54-V121 WeakPolarHBondContact CA-O 3.38Å; L55-V121 HydrophobicContact CB-CB 4.32Å; L55-V121 PolarHBondContact N-O 3.1Å; L55-V121 PolarHBondContact O-N 3.3Å; V121-L123 HydrophobicContact CG1-CD2 4.15Å; V121-T197 HydrophobicContact CG1-CG2 3.75Å; V121-I198 CarbonylContact C-O 3.51Å; V121-I198 WeakPolarHBondContact CA-O 3.17Å; V121-L239 HydrophobicContact CG2-CD1 3.58Å; V121-V245 HydrophobicContact CG2-CG1 4.09Å; V121-V245 HydrophobicContact CG2-CG2 4.49Å; V121-L249 HydrophobicContact CB-CD2 4.49Å; V121-L249 HydrophobicContact CG2-CD1 4.21Å; V121-L249 HydrophobicContact CG2-CD2 3.78Å; V121-L249 HydrophobicContact CG2-CG 3.94Å
122	I	98.9	Very high	98.1	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	128.3	176.9	-56.7	135.9	0	0	0	107.7	V54 I198 Y217 V219	V54-I122 HydrophobicContact CG1-CB 4.35Å; V54-I122 HydrophobicContact CG1-CG1 3.87Å; I122-I198 HydrophobicContact CB-CB 4.18Å; I122-I198 HydrophobicContact CD1-CG2 4.26Å; I122-I198 PolarHBondContact N-O 2.97Å; I122-I198 PolarHBondContact O-N 2.96Å; I122-Y217 HydrophobicContact CB-CE2 4.41Å; I122-Y217 HydrophobicContact CD1-CD2 3.39Å; I122-Y217 HydrophobicContact CD1-CE2 3.56Å; I122-Y217 HydrophobicContact CD1-CG 4.35Å; I122-Y217 HydrophobicContact CG1-CD2 3.56Å; I122-Y217 HydrophobicContact CG1-CE2 3.6Å; I122-Y217 HydrophobicContact CG1-CG 4.15Å; I122-Y217 HydrophobicContact CG2-CE2 3.96Å; I122-V219 HydrophobicContact CD1-CG2 3.94Å
123	L	98.9	Very high	97.8	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.026	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	132.6	-177.9	-58.4	178	0	0	0	109.9	V14 P53 L72 V121 L195 T197	V14-L123 HydrophobicContact CG1-CD1 3.84Å; P53-L123 HydrophobicContact CG-CB 4.21Å; P53-L123 PolarHBondContact O-N 3.07Å; P53-L123 VanDerWaalsContact O-N 3.09Å; L72-L123 HydrophobicContact CD2-CD1 3.57Å; V121-L123 HydrophobicContact CG1-CD2 4.15Å; L123-L195 HydrophobicContact CB-CD1 4.32Å; L123-L195 HydrophobicContact CD1-CD1 4.44Å; L123-T197 HydrophobicContact CD2-CG2 3.99Å
124	A	98.8	Very high	97.2	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	156.3	178	0	0	0	0	0	109.9	T5 A6 L195 L196 I198	T5-A124 HydrophobicContact CG2-CB 4.34Å; A6-A124 CarbonylContact O-C 3.48Å; A6-A124 WeakPolarHBondContact O-CA 3.35Å; A6-A124 WeakPolarHBondContact O-CB 3.45Å; A124-L195 CarbonylContact O-C 3.59Å; A124-L195 WeakPolarHBondContact O-CA 3.04Å; A124-L195 WeakPolarHBondContact O-CD2 3.26Å; A124-L196 PolarHBondContact N-O 2.83Å; A124-L196 WeakPolarHBondContact O-CA 3.43Å; A124-L196 WeakPolarHBondContact O-CB 3.43Å; A124-L196 PolarHBondContact O-N 2.88Å; A124-I198 HydrophobicContact CB-CD1 4.46Å
125	D	98.8	Very high	96.7	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.016	22%	0.224	C	C	.	.	S	Bend	trans	-66.4	-36.5	168.6	-50.7	-22.4	0	0	0	109.7	A6 C7 T8 F141 Y143 W193 L195	A6-D125 HydrophobicContact CB-CB 4.32Å; A6-D125 PolarHBondContact O-N 2.98Å; C7-D125 WeakPolarHBondContact CA-OD2 3.34Å; T8-D125 WeakPolarHBondContact CB-OD2 3.49Å; T8-D125 WeakPolarHBondContact CG2-OD2 3.43Å; T8-D125 PolarHBondContact N-OD1 2.93Å; T8-D125 PolarHBondContact N-OD2 2.88Å; T8-D125 PolarHBondContact OG1-OD2 3.2Å; D125-F141 HydrophobicContact CB-CZ 4.16Å; D125-Y143 WeakPolarHBondContact O-CB 3.22Å; D125-W193 PolarHBondContact O-NE1 2.8Å; D125-L195 WeakPolarHBondContact OD1-CD2 3.46Å
126	G	98.8	Very high	96.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.8	-176	178.8	0	0	0	0	0	110.5	T5 A6 F141 I142	T5-G126 WeakPolarHBondContact CA-O 3.38Å; T5-G126 WeakPolarHBondContact CB-O 3.24Å; A6-G126 PolarHBondContact N-O 3.03Å; G126-F141 VanDerWaalsContact C-CE2 3.44Å; G126-F141 VanDerWaalsContact CA-CZ 3.49Å; G126-I142 CarbonylContact C-O 3.58Å; G126-I142 WeakPolarHBondContact CA-O 3.45Å
127	F	98.9	Very high	96.5	Very high	3 Å²	3	52.1 Å²	52.1	1%	0.013	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	158.6	177	72.2	-81.1	0	0	0	112.4	C2 R4 T5 E129 I142 L196 P236 L269	C2-F127 HydrophobicContact CB-CD2 3.77Å; C2-F127 HydrophobicContact CB-CE2 4.31Å; C2-F127 HydrophobicContact CB-CG 4.37Å; C2-F127 WeakPolarHBondContact SG-CB 3.41Å; R4-F127 WeakPolarHBondContact O-CA 3.43Å; R4-F127 WeakPolarHBondContact O-CB 3.4Å; T5-F127 HydrophobicContact CG2-CB 3.96Å; F127-E129 HydrophobicContact CD2-CB 4.43Å; F127-E129 HydrophobicContact CE2-CB 4.14Å; F127-I142 HydrophobicContact CD1-CB 4.06Å; F127-I142 HydrophobicContact CD1-CG2 4.3Å; F127-I142 HydrophobicContact CD2-CD1 4.24Å; F127-I142 HydrophobicContact CE1-CB 3.66Å; F127-I142 HydrophobicContact CE1-CD1 4.41Å; F127-I142 HydrophobicContact CE1-CG2 3.49Å; F127-I142 VanDerWaalsContact CE1-CG2 3.49Å; F127-I142 HydrophobicContact CE2-CB 4.16Å; F127-I142 HydrophobicContact CE2-CD1 3.47Å; F127-I142 VanDerWaalsContact CE2-CD1 3.47Å; F127-I142 HydrophobicContact CE2-CG1 4.37Å; F127-I142 HydrophobicContact CE2-CG2 4.5Å; F127-I142 HydrophobicContact CG-CB 4.48Å; F127-I142 HydrophobicContact CZ-CB 3.71Å; F127-I142 HydrophobicContact CZ-CD1 3.57Å; F127-I142 HydrophobicContact CZ-CG1 4.24Å; F127-I142 HydrophobicContact CZ-CG2 3.6Å; F127-I142 PolarHBondContact N-O 3.35Å; F127-I142 PolarHBondContact O-N 2.76Å; F127-L196 HydrophobicContact CD1-CD2 3.6Å; F127-L196 HydrophobicContact CE1-CD2 4.18Å; F127-P236 HydrophobicContact CD1-CG 3.8Å; F127-P236 HydrophobicContact CD2-CG 4.36Å; F127-P236 HydrophobicContact CE1-CG 3.56Å; F127-P236 HydrophobicContact CE2-CG 4.16Å; F127-P236 HydrophobicContact CG-CG 4.19Å; F127-P236 VanDerWaalsContact CZ-CD 3.45Å; F127-P236 HydrophobicContact CZ-CG 3.76Å; F127-L269 HydrophobicContact CE1-CD1 3.8Å; F127-L269 HydrophobicContact CZ-CD1 4.39Å
128	Y	98.8	Very high	96.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	144.2	173.4	-50.5	-89.2	0	0	0	111.3	R4 A6 Y44 F140 F141 V274 V278 C288 L289	R4-Y128 HydrophobicContact CB-CD2 3.75Å; R4-Y128 HydrophobicContact CB-CG 4.35Å; R4-Y128 HydrophobicContact CG-CD2 3.58Å; R4-Y128 HydrophobicContact CG-CE2 4.14Å; R4-Y128 HydrophobicContact CG-CG 4.43Å; R4-Y128 PolarHBondContact O-N 2.87Å; A6-Y128 HydrophobicContact CB-CE2 4.21Å; Y44-Y128 WeakPolarHBondContact O-CE2 3.39Å; Y44-Y128 PolarHBondContact O-OH 3.21Å; Y128-F140 WeakPolarHBondContact CA-O 3.35Å; Y128-F141 HydrophobicContact CD1-CB 4.08Å; Y128-F141 AromaticContact CD1-CD2 3.83Å; Y128-F141 HydrophobicContact CD1-CD2 3.83Å; Y128-F141 HydrophobicContact CD1-CG 4.44Å; Y128-F141 HydrophobicContact CE1-CB 4.05Å; Y128-F141 AromaticContact CE1-CD2 3.58Å; Y128-F141 HydrophobicContact CE1-CD2 3.58Å; Y128-F141 HydrophobicContact CE1-CE2 4.44Å; Y128-F141 HydrophobicContact CE1-CG 4.16Å; Y128-F141 HydrophobicContact CE2-CD2 4.43Å; Y128-F141 HydrophobicContact CG-CD2 4.37Å; Y128-F141 AromaticContact CZ-CD2 3.94Å; Y128-V274 HydrophobicContact CD1-CG2 4.21Å; Y128-V274 HydrophobicContact CE1-CG2 4.33Å; Y128-V278 HydrophobicContact CD1-CG1 4.46Å; Y128-V278 HydrophobicContact CD1-CG2 3.93Å; Y128-V278 HydrophobicContact CD2-CG2 4.13Å; Y128-V278 HydrophobicContact CE1-CB 4.47Å; Y128-V278 HydrophobicContact CE1-CG2 3.72Å; Y128-V278 HydrophobicContact CE2-CG2 3.91Å; Y128-V278 HydrophobicContact CG-CG2 4.11Å; Y128-C288 WeakPolarHBondContact CE1-O 3.5Å; Y128-C288 WeakPolarHBondContact OH-CB 3.32Å; Y128-L289 HydrophobicContact CE1-CD2 3.97Å; Y128-L289 WeakPolarHBondContact OH-CD2 3.26Å
129	E	98.6	Very high	96.5	Very high	12 Å²	12	52.4 Å²	52.4	6%	0.056	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	149	170.1	-168.6	55.3	-83.6	0	0	110.7	M1 C2 F127 F140 I142 I231 H232	M1-E129 WeakPolarHBondContact CA-OE2 3.16Å; M1-E129 PolarHBondContact N-OE2 2.82Å; C2-E129 PolarHBondContact N-OE2 3.45Å; F127-E129 HydrophobicContact CD2-CB 4.43Å; F127-E129 HydrophobicContact CE2-CB 4.14Å; E129-F140 PolarHBondContact N-O 3Å; E129-F140 PolarHBondContact O-N 3.26Å; E129-I142 HydrophobicContact CB-CD1 3.77Å; E129-I231 HydrophobicContact CB-CG2 4.11Å; E129-I231 HydrophobicContact CG-CG2 4.06Å; E129-H232 HydrophobicContact CG-CB 3.47Å; E129-H232 VanDerWaalsContact CG-CB 3.47Å; E129-H232 IonicContact OE1-CD2 3.77Å; E129-H232 PolarHBondContact OE1-CD2 3.32Å; E129-H232 IonicContact OE2-CD2 3.4Å; E129-H232 PolarHBondContact OE2-CD2 3.28Å; E129-H232 IonicContact OE2-CG 3.72Å; E129-H232 IonicContact OE2-NE2 2.95Å
130	W	98	Very high	96.5	Very high	36 Å²	36	52.7 Å²	52.7	14%	0.136	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	110.3	-171.2	-79.7	-97.2	0	0	0	111.1	R4 R132 K137 Q138 P139 V278 N279	R4-W130 HydrophobicContact CB-CH2 3.78Å; R4-W130 HydrophobicContact CB-CZ3 3.97Å; R4-W130 HydrophobicContact CG-CH2 4.22Å; W130-R132 PolarHBondContact O-N 3.47Å; W130-K137 HydrophobicContact CB-CB 4.03Å; W130-K137 HydrophobicContact CB-CD 4.07Å; W130-K137 HydrophobicContact CG-CB 4.27Å; W130-Q138 WeakPolarHBondContact CA-O 3.25Å; W130-P139 HydrophobicContact CD2-CB 4.49Å; W130-P139 HydrophobicContact CG-CB 4.48Å; W130-P139 HydrophobicContact CZ2-CB 4.44Å; W130-V278 HydrophobicContact CZ2-CG1 4.02Å; W130-N279 PolarHBondContact NE1-OD1 3.46Å
131	R	97.4	Very high	96.5	Very high	84 Å²	84	52.9 Å²	52.9	32%	0.317	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	121.2	171.2	-172.4	172.7	69.1	-174	2.5	109.8	K137 Q138 F140 G230 I231	R131-K137 WeakPolarHBondContact O-CA 3.46Å; R131-Q138 PolarHBondContact N-O 2.84Å; R131-Q138 PolarHBondContact O-N 3.08Å; R131-F140 HydrophobicContact CB-CD2 4.13Å; R131-F140 HydrophobicContact CB-CE2 3.71Å; R131-G230 WeakPolarHBondContact CD-O 3.37Å; R131-G230 WeakPolarHBondContact CG-O 3.39Å; R131-I231 WeakPolarHBondContact CA-O 3.47Å; R131-I231 HydrophobicContact CB-CG2 4.21Å
132	R	94.6	Very high	96.4	Very high	196 Å²	196	53 Å²	53	74%	0.74	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	134.1	174.7	-61.3	-176	-173.2	-168.3	2.7	110	W130	W130-R132 PolarHBondContact O-N 3.47Å
133	Q	90.7	Very high	96.4	Very high	99 Å²	99	54.6 Å²	54.6	46%	0.463	24%	0.24	S	C	.	.			trans	-122.4	174.7	168.1	-54.7	-175.8	5.9	0	0	108	K135 D136 Q138	Q133-K135 VanDerWaalsContact C-N 3.26Å; Q133-K135 PolarHBondContact O-N 3.17Å; Q133-D136 CarbonylContact C-O 3.51Å; Q133-D136 WeakPolarHBondContact CA-O 3.47Å; Q133-D136 WeakPolarHBondContact CB-O 3.4Å; Q133-D136 PolarHBondContact N-O 2.74Å; Q133-Q138 VanDerWaalsContact NE2-CB 3.29Å
134	E	86.3	Confident	96.4	Very high	196 Å²	196	54.4 Å²	54.4	92%	0.916	24%	0.239	S	C	*	.	S	Bend	trans	-55.7	-38.3	-174.5	-69.4	-175.8	172.6	0	0	113.8
135	K	87.6	Confident	96.3	Very high	188 Å²	188	57.7 Å²	57.7	82%	0.817	26%	0.26	S	S	*	.	S	Bend	trans	-117.5	-26.8	-174.2	-63.6	-176.5	-177.7	176.5	0	114.3	Q133	Q133-K135 VanDerWaalsContact C-N 3.26Å; Q133-K135 PolarHBondContact O-N 3.17Å
136	D	92.6	Very high	96.1	Very high	122 Å²	122	59.9 Å²	59.9	65%	0.652	27%	0.27	S	S	*	.			trans	-139.7	-178.9	-172.9	-80.7	-50	0	0	0	111.8	Q133	Q133-D136 CarbonylContact C-O 3.51Å; Q133-D136 WeakPolarHBondContact CA-O 3.47Å; Q133-D136 WeakPolarHBondContact CB-O 3.4Å; Q133-D136 PolarHBondContact N-O 2.74Å
137	K	95.8	Very high	95.5	Very high	122 Å²	122	65.7 Å²	65.7	53%	0.53	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.3	174.2	-63.3	-179.5	-174.6	175.5	0	110.3	W130 R131 P139	W130-K137 HydrophobicContact CB-CB 4.03Å; W130-K137 HydrophobicContact CB-CD 4.07Å; W130-K137 HydrophobicContact CG-CB 4.27Å; R131-K137 WeakPolarHBondContact O-CA 3.46Å; K137-P139 WeakPolarHBondContact O-CD 3.33Å
138	Q	97.4	Very high	93.7	Very high	31 Å²	31	74.6 Å²	74.6	15%	0.145	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	115.6	173.2	175	59	52.9	0	0	109.8	W130 R131 Q133 F140 P273 V274 L294	W130-Q138 WeakPolarHBondContact CA-O 3.25Å; R131-Q138 PolarHBondContact N-O 2.84Å; R131-Q138 PolarHBondContact O-N 3.08Å; Q133-Q138 VanDerWaalsContact NE2-CB 3.29Å; Q138-F140 HydrophobicContact CB-CE2 4.04Å; Q138-F140 HydrophobicContact CG-CD2 4.08Å; Q138-F140 HydrophobicContact CG-CE2 3.45Å; Q138-F140 VanDerWaalsContact CG-CE2 3.45Å; Q138-F140 HydrophobicContact CG-CZ 3.9Å; Q138-F140 WeakPolarHBondContact O-CD2 3.33Å; Q138-P273 HydrophobicContact CG-CB 4.32Å; Q138-V274 PolarHBondContact NE2-O 3.23Å; Q138-L294 VanDerWaalsContact CD-CD2 3.49Å; Q138-L294 HydrophobicContact CG-CD1 4.48Å; Q138-L294 HydrophobicContact CG-CD2 4.16Å
139	P	98.3	Very high	91.3	Very high	1 Å²	1	77 Å²	77	1%	0.006	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	142.1	172	27.2	-30.7	0	0	0	111.4	W130 K137 V274 S275 V278	W130-P139 HydrophobicContact CD2-CB 4.49Å; W130-P139 HydrophobicContact CG-CB 4.48Å; W130-P139 HydrophobicContact CZ2-CB 4.44Å; K137-P139 WeakPolarHBondContact O-CD 3.33Å; P139-V274 HydrophobicContact CB-CG2 3.75Å; P139-V274 HydrophobicContact CG-CG2 3.94Å; P139-V274 WeakPolarHBondContact CG-O 3.45Å; P139-V274 PolarHBondContact O-N 3.15Å; P139-S275 WeakPolarHBondContact CG-O 3.11Å; P139-V278 HydrophobicContact CB-CG1 3.67Å; P139-V278 HydrophobicContact CG-CG1 3.92Å
140	F	98.6	Very high	88.3	Confident	7 Å²	7	82.1 Å²	82.1	3%	0.031	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144.3	170.5	-73.7	-96.8	0	0	0	109	Y128 E129 R131 Q138 I142 I231 F271 H272 P273	Y128-F140 WeakPolarHBondContact CA-O 3.35Å; E129-F140 PolarHBondContact N-O 3Å; E129-F140 PolarHBondContact O-N 3.26Å; R131-F140 HydrophobicContact CB-CD2 4.13Å; R131-F140 HydrophobicContact CB-CE2 3.71Å; Q138-F140 HydrophobicContact CB-CE2 4.04Å; Q138-F140 HydrophobicContact CG-CD2 4.08Å; Q138-F140 HydrophobicContact CG-CE2 3.45Å; Q138-F140 VanDerWaalsContact CG-CE2 3.45Å; Q138-F140 HydrophobicContact CG-CZ 3.9Å; Q138-F140 WeakPolarHBondContact O-CD2 3.33Å; F140-I142 HydrophobicContact CB-CG1 4.35Å; F140-I231 HydrophobicContact CB-CD1 4.09Å; F140-I231 HydrophobicContact CB-CG2 4.48Å; F140-I231 HydrophobicContact CD1-CD1 3.96Å; F140-I231 HydrophobicContact CD2-CD1 4.2Å; F140-I231 HydrophobicContact CD2-CG1 4.2Å; F140-I231 HydrophobicContact CD2-CG2 4.03Å; F140-I231 HydrophobicContact CE1-CD1 4.46Å; F140-I231 HydrophobicContact CE2-CG1 4.39Å; F140-I231 HydrophobicContact CG-CD1 3.82Å; F140-I231 HydrophobicContact CG-CG1 4.32Å; F140-I231 HydrophobicContact CG-CG2 4.43Å; F140-F271 AromaticContact CD1-CD2 3.72Å; F140-F271 HydrophobicContact CD1-CD2 3.72Å; F140-F271 HydrophobicContact CD1-CE2 4.33Å; F140-F271 HydrophobicContact CE1-CD2 4.08Å; F140-F271 HydrophobicContact CE1-CE2 4.28Å; F140-H272 WeakPolarHBondContact CA-O 3.28Å; F140-P273 HydrophobicContact CD1-CB 4.09Å; F140-P273 HydrophobicContact CE1-CB 3.78Å; F140-P273 HydrophobicContact CE1-CG 4.29Å; F140-P273 HydrophobicContact CZ-CB 4.17Å
141	F	98.8	Very high	85.3	Confident	3 Å²	3	86.1 Å²	86.1	1%	0.013	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.9	164.7	-176.4	-116	0	0	0	109	A6 D125 G126 Y128 Y143 W193 F271 H272 V274 L289	A6-F141 HydrophobicContact CB-CE2 3.91Å; A6-F141 HydrophobicContact CB-CZ 4.32Å; D125-F141 HydrophobicContact CB-CZ 4.16Å; G126-F141 VanDerWaalsContact C-CE2 3.44Å; G126-F141 VanDerWaalsContact CA-CZ 3.49Å; Y128-F141 HydrophobicContact CD1-CB 4.08Å; Y128-F141 AromaticContact CD1-CD2 3.83Å; Y128-F141 HydrophobicContact CD1-CD2 3.83Å; Y128-F141 HydrophobicContact CD1-CG 4.44Å; Y128-F141 HydrophobicContact CE1-CB 4.05Å; Y128-F141 AromaticContact CE1-CD2 3.58Å; Y128-F141 HydrophobicContact CE1-CD2 3.58Å; Y128-F141 HydrophobicContact CE1-CE2 4.44Å; Y128-F141 HydrophobicContact CE1-CG 4.16Å; Y128-F141 HydrophobicContact CE2-CD2 4.43Å; Y128-F141 HydrophobicContact CG-CD2 4.37Å; Y128-F141 AromaticContact CZ-CD2 3.94Å; F141-Y143 AromaticContact CD1-CD1 3.37Å; F141-Y143 HydrophobicContact CD1-CD1 3.37Å; F141-Y143 AromaticContact CD1-CE1 3.8Å; F141-Y143 HydrophobicContact CD1-CE1 3.8Å; F141-Y143 HydrophobicContact CD1-CG 4.17Å; F141-Y143 AromaticContact CE1-CD1 3.53Å; F141-Y143 HydrophobicContact CE1-CD1 3.53Å; F141-Y143 HydrophobicContact CE1-CE1 4.23Å; F141-Y143 AromaticContact CE1-CG 3.85Å; F141-Y143 HydrophobicContact CE1-CG 3.85Å; F141-Y143 HydrophobicContact CG-CD1 4.27Å; F141-W193 HydrophobicContact CE1-CZ2 4.25Å; F141-F271 WeakPolarHBondContact O-CA 3.29Å; F141-F271 VanDerWaalsContact O-CB 3.32Å; F141-F271 WeakPolarHBondContact O-CB 3.4Å; F141-H272 AromaticContact CD1-CE1 3.9Å; F141-H272 AromaticContact CD1-NE2 3.99Å; F141-H272 PolarHBondContact N-O 2.69Å; F141-H272 PolarHBondContact O-N 3.44Å; F141-H272 VanDerWaalsContact O-N 3.1Å; F141-V274 HydrophobicContact CB-CG1 3.74Å; F141-L289 HydrophobicContact CD1-CD2 3.82Å; F141-L289 HydrophobicContact CD2-CD2 3.46Å; F141-L289 VanDerWaalsContact CD2-CD2 3.46Å; F141-L289 HydrophobicContact CE1-CD2 3.73Å; F141-L289 HydrophobicContact CE2-CD2 3.35Å; F141-L289 HydrophobicContact CG-CD2 3.69Å; F141-L289 HydrophobicContact CZ-CD2 3.49Å; F141-L289 VanDerWaalsContact CZ-CD2 3.49Å
142	I	98.8	Very high	82.4	Confident	3 Å²	3	90.8 Å²	90.8	2%	0.015	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.1	-171.2	-55	162.9	0	0	0	108.7	G126 F127 E129 F140 L228 I231 L269 T270 F271	G126-I142 CarbonylContact C-O 3.58Å; G126-I142 WeakPolarHBondContact CA-O 3.45Å; F127-I142 HydrophobicContact CD1-CB 4.06Å; F127-I142 HydrophobicContact CD1-CG2 4.3Å; F127-I142 HydrophobicContact CD2-CD1 4.24Å; F127-I142 HydrophobicContact CE1-CB 3.66Å; F127-I142 HydrophobicContact CE1-CD1 4.41Å; F127-I142 HydrophobicContact CE1-CG2 3.49Å; F127-I142 VanDerWaalsContact CE1-CG2 3.49Å; F127-I142 HydrophobicContact CE2-CB 4.16Å; F127-I142 HydrophobicContact CE2-CD1 3.47Å; F127-I142 VanDerWaalsContact CE2-CD1 3.47Å; F127-I142 HydrophobicContact CE2-CG1 4.37Å; F127-I142 HydrophobicContact CE2-CG2 4.5Å; F127-I142 HydrophobicContact CG-CB 4.48Å; F127-I142 HydrophobicContact CZ-CB 3.71Å; F127-I142 HydrophobicContact CZ-CD1 3.57Å; F127-I142 HydrophobicContact CZ-CG1 4.24Å; F127-I142 HydrophobicContact CZ-CG2 3.6Å; F127-I142 PolarHBondContact N-O 3.35Å; F127-I142 PolarHBondContact O-N 2.76Å; E129-I142 HydrophobicContact CB-CD1 3.77Å; F140-I142 HydrophobicContact CB-CG1 4.35Å; I142-L228 HydrophobicContact CD1-CD2 4.15Å; I142-L228 HydrophobicContact CG1-CD2 4.34Å; I142-L228 HydrophobicContact CG2-CD1 4.13Å; I142-L228 HydrophobicContact CG2-CD2 3.94Å; I142-I231 HydrophobicContact CD1-CD1 4.39Å; I142-L269 HydrophobicContact CG2-CB 3.95Å; I142-L269 HydrophobicContact CG2-CD1 3.75Å; I142-T270 WeakPolarHBondContact CA-O 3.31Å; I142-F271 HydrophobicContact CB-CB 4.27Å; I142-F271 HydrophobicContact CG1-CB 3.74Å; I142-F271 HydrophobicContact CG2-CB 4.43Å
143	Y	98.7	Very high	79.3	Confident	36 Å²	36	86.9 Å²	86.9	14%	0.141	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	167.2	-168.6	55.1	-75.8	0	0	0	111.3	D125 F141 Q146 W193 L269 T270 H272	D125-Y143 WeakPolarHBondContact O-CB 3.22Å; F141-Y143 AromaticContact CD1-CD1 3.37Å; F141-Y143 HydrophobicContact CD1-CD1 3.37Å; F141-Y143 AromaticContact CD1-CE1 3.8Å; F141-Y143 HydrophobicContact CD1-CE1 3.8Å; F141-Y143 HydrophobicContact CD1-CG 4.17Å; F141-Y143 AromaticContact CE1-CD1 3.53Å; F141-Y143 HydrophobicContact CE1-CD1 3.53Å; F141-Y143 HydrophobicContact CE1-CE1 4.23Å; F141-Y143 AromaticContact CE1-CG 3.85Å; F141-Y143 HydrophobicContact CE1-CG 3.85Å; F141-Y143 HydrophobicContact CG-CD1 4.27Å; Y143-Q146 HydrophobicContact CD2-CG 4.19Å; Y143-Q146 HydrophobicContact CE2-CG 4.26Å; Y143-W193 AromaticContact CD2-CH2 3.8Å; Y143-W193 HydrophobicContact CD2-CH2 3.8Å; Y143-W193 AromaticContact CD2-CZ2 3.59Å; Y143-W193 HydrophobicContact CD2-CZ2 3.59Å; Y143-W193 AromaticContact CE2-CH2 3.97Å; Y143-W193 HydrophobicContact CE2-CH2 3.97Å; Y143-W193 HydrophobicContact CE2-CZ2 4.24Å; Y143-W193 HydrophobicContact CG-CH2 4.48Å; Y143-W193 HydrophobicContact CG-CZ2 4.02Å; Y143-L269 WeakPolarHBondContact O-CA 3.17Å; Y143-T270 HydrophobicContact CD2-CG2 4.07Å; Y143-T270 HydrophobicContact CE1-CG2 4.27Å; Y143-T270 HydrophobicContact CE2-CG2 3.65Å; Y143-T270 PolarHBondContact N-O 3.03Å; Y143-T270 PolarHBondContact O-N 2.59Å; Y143-T270 VanDerWaalsContact O-O 3.13Å; Y143-H272 AromaticContact CE1-CE1 3.41Å; Y143-H272 VanDerWaalsContact CE1-CE1 3.41Å; Y143-H272 WeakPolarHBondContact CE1-CE1 2.82Å; Y143-H272 AromaticContact CE1-ND1 3.33Å; Y143-H272 VanDerWaalsContact CE1-ND1 3.33Å; Y143-H272 WeakPolarHBondContact CE1-ND1 3.01Å; Y143-H272 AromaticContact CZ-CE1 3.77Å; Y143-H272 AromaticContact CZ-ND1 3.58Å; Y143-H272 PolarHBondContact OH-ND1 3.26Å
144	F	98.3	Very high	76.5	Confident	1 Å²	1	90 Å²	90	0%	0.004	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-64.7	142.6	169.5	-78.7	-51.9	0	0	0	110.4	Q146 R194 L195 L196 T197 I238 D240 L269	F144-Q146 PolarHBondContact O-N 3.05Å; F144-Q146 PolarHBondContact O-NE2 3.01Å; F144-R194 HydrophobicContact CD2-CG 4.27Å; F144-L195 WeakPolarHBondContact CD2-O 3.35Å; F144-L196 HydrophobicContact CD1-CD1 4.21Å; F144-L196 HydrophobicContact CD2-CB 4.4Å; F144-L196 HydrophobicContact CD2-CD1 3.73Å; F144-L196 HydrophobicContact CE1-CD1 4.18Å; F144-L196 HydrophobicContact CE2-CD1 3.71Å; F144-L196 HydrophobicContact CG-CD1 3.98Å; F144-L196 HydrophobicContact CZ-CD1 3.93Å; F144-T197 WeakPolarHBondContact CE2-OG1 3.46Å; F144-I238 HydrophobicContact CE1-CG2 3.59Å; F144-I238 HydrophobicContact CE2-CG2 4.36Å; F144-I238 HydrophobicContact CZ-CG2 3.33Å; F144-D240 HydrophobicContact CE1-CB 4.32Å; F144-D240 HydrophobicContact CZ-CB 4.4Å; F144-L269 HydrophobicContact CD1-CD2 3.57Å; F144-L269 HydrophobicContact CE1-CD2 3.79Å; F144-L269 HydrophobicContact CG-CD2 4.29Å
145	P	97.1	Very high	73.8	Confident	68 Å²	68	86.5 Å²	86.5	44%	0.442	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-50.7	131.9	164.4	-25.7	34	0	0	0	110.7	T268 T270	P145-T268 WeakPolarHBondContact CD-O 3.48Å; P145-T270 HydrophobicContact CB-CG2 4.5Å; P145-T270 HydrophobicContact CG-CG2 4.19Å
146	Q	94.9	Very high	71.2	Confident	49 Å²	49	85.1 Å²	85.1	23%	0.229	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-97.3	137.2	-179	-57.2	-63.6	-50.1	0	0	109	Y143 F144 Q148 W193 R194	Y143-Q146 HydrophobicContact CD2-CG 4.19Å; Y143-Q146 HydrophobicContact CE2-CG 4.26Å; F144-Q146 PolarHBondContact O-N 3.05Å; F144-Q146 PolarHBondContact O-NE2 3.01Å; Q146-Q148 PolarHBondContact O-N 3.31Å; Q146-W193 HydrophobicContact CG-CD2 4.16Å; Q146-W193 HydrophobicContact CG-CE3 3.9Å; Q146-W193 HydrophobicContact CG-CH2 3.69Å; Q146-W193 HydrophobicContact CG-CZ2 3.93Å; Q146-W193 HydrophobicContact CG-CZ3 3.67Å; Q146-R194 PolarHBondContact NE2-O 3.06Å
147	T	85.5	Confident	68.4	Low	123 Å²	123	87.1 Å²	87.1	76%	0.755	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-68.5	122	169.5	44.6	0	0	0	0	108.5	G149	T147-G149 PolarHBondContact O-N 3.06Å; T147-G149 VanDerWaalsContact O-N 3.15Å
148	Q	60.1	Low	65.4	Low	189 Å²	189	89.1 Å²	89.1	88%	0.883	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-60.7	119.8	168.8	-64	-173.4	8	0	0	107.6	Q146	Q146-Q148 PolarHBondContact O-N 3.31Å
149	G	48.5	Very low	62.5	Low	50 Å²	50	95 Å²	95	52%	0.515	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-61.8	159.4	171.5	0	0	0	0	0	110.9	T147 V151	T147-G149 PolarHBondContact O-N 3.06Å; T147-G149 VanDerWaalsContact O-N 3.15Å; G149-V151 PolarHBondContact O-N 2.96Å
150	P	35.7	Very low	59.5	Low	121 Å²	121	103.2 Å²	103.2	79%	0.786	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-57.5	125.3	175.9	23.4	-30.9	0	0	0	109.7	H152	P150-H152 PolarHBondContact O-N 3.49Å; P150-H152 VanDerWaalsContact O-N 3.11Å
151	V	36.4	Very low	56.2	Low	120 Å²	120	105.8 Å²	105.8	73%	0.727	58%	0.579	S	S	*	*			trans	-60.7	112.2	170.7	178.2	0	0	0	0	106.7	G149 V153	G149-V151 PolarHBondContact O-N 2.96Å; V151-V153 VanDerWaalsContact C-N 3.28Å; V151-V153 PolarHBondContact O-N 3.23Å
152	H	35.1	Very low	52.9	Low	181 Å²	181	112.1 Å²	112.1	84%	0.838	62%	0.618	S	S	*	*			trans	-60.3	100	162.9	-105.2	-69.9	0	0	0	106.7	P150 K154	P150-H152 PolarHBondContact O-N 3.49Å; P150-H152 VanDerWaalsContact O-N 3.11Å; H152-K154 PolarHBondContact O-N 3.24Å
153	V	31.1	Very low	50.3	Low	114 Å²	114	117.2 Å²	117.2	69%	0.691	65%	0.651	S	S	*	*			trans	-60.7	109.1	162	178	0	0	0	0	104.6	V151 T155	V151-V153 VanDerWaalsContact C-N 3.28Å; V151-V153 PolarHBondContact O-N 3.23Å; V153-T155 VanDerWaalsContact C-N 3.3Å; V153-T155 PolarHBondContact O-N 3.1Å
154	K	31	Very low	46.9	Very low	164 Å²	164	120.7 Å²	120.7	71%	0.713	68%	0.68	S	S	*	*			trans	-61.9	102.8	162.8	-75.1	179.6	174.4	179.2	0	105.1	H152 E156	H152-K154 PolarHBondContact O-N 3.24Å; K154-E156 VanDerWaalsContact C-N 3.35Å; K154-E156 PolarHBondContact O-N 2.87Å
155	T	30	Very low	43.7	Very low	123 Å²	123	129.3 Å²	129.3	76%	0.755	72%	0.717	S	S	*	*			trans	-59.9	108.4	160.6	-27.5	0	0	0	0	104.7	V153 D157	V153-T155 VanDerWaalsContact C-N 3.3Å; V153-T155 PolarHBondContact O-N 3.1Å; T155-D157 PolarHBondContact O-N 2.7Å
156	E	31.5	Very low	40.6	Very low	160 Å²	160	134 Å²	134	75%	0.748	73%	0.733	S	S	*	*			trans	-63.4	115.3	168.5	-69.2	178.2	157.7	0	0	106.2	K154 Q158	K154-E156 VanDerWaalsContact C-N 3.35Å; K154-E156 PolarHBondContact O-N 2.87Å; E156-Q158 PolarHBondContact O-N 3.01Å
157	D	34.8	Very low	37.5	Very low	163 Å²	163	139.9 Å²	139.9	87%	0.872	77%	0.767	S	S	*	*			trans	-59	102.5	167.7	-71.9	-42	0	0	0	107.7	T155 D159	T155-D157 PolarHBondContact O-N 2.7Å; D157-D159 PolarHBondContact O-N 2.97Å
158	Q	33	Very low	35	Very low	165 Å²	165	141.8 Å²	141.8	77%	0.771	77%	0.771	S	S	*	*			trans	-88.3	100.2	162.1	-73.5	-172.2	14.4	0	0	107.6	E156 E160	E156-Q158 PolarHBondContact O-N 3.01Å; Q158-E160 PolarHBondContact O-N 3.13Å
159	D	36.8	Very low	33.7	Very low	154 Å²	154	141.3 Å²	141.3	82%	0.824	77%	0.769	S	S	*	*			trans	-60.6	103.2	158.8	-173.8	26.9	0	0	0	108.9	D157	D157-D159 PolarHBondContact O-N 2.97Å
160	E	34.2	Very low	32.7	Very low	173 Å²	173	144.9 Å²	144.9	81%	0.808	78%	0.781	S	S	*	*			trans	-134.8	98.8	164.9	-86.1	-84.4	151.6	0	0	106.6	Q158	Q158-E160 PolarHBondContact O-N 3.13Å
161	G	30.1	Very low	32.2	Very low	61 Å²	61	144.9 Å²	144.9	63%	0.629	78%	0.783	S	S	*	*			trans	-75	144	174.8	0	0	0	0	0	112.3
162	T	29.7	Very low	31.9	Very low	137 Å²	137	144.8 Å²	144.8	84%	0.84	79%	0.787	S	S	*	*			trans	-159.1	138.9	148.3	-68.2	0	0	0	0	108.7
163	P	43	Very low	31.5	Very low	109 Å²	109	141.4 Å²	141.4	71%	0.708	78%	0.784	S	S	*	*			trans	-99	177.1	-166.9	38.8	-32.4	0	0	0	113.7
164	C	27.4	Very low	31.5	Very low	110 Å²	110	145.4 Å²	145.4	74%	0.743	80%	0.795	S	S	*	*			trans	105.4	135.1	168.8	-58.1	0	0	0	0	113.5
165	K	32.1	Very low	31.5	Very low	181 Å²	181	147.1 Å²	147.1	79%	0.787	81%	0.806	S	S	*	*			cis	-161.3	160	6.5	-108.5	166.5	-174.9	-172.1	0	108.4
166	E	32.2	Very low	31.4	Very low	167 Å²	167	145 Å²	145	78%	0.78	81%	0.807	S	S	*	*			trans	-15.8	133.7	164.1	-65.1	157.8	158.1	0	0	117.3
167	D	30.1	Very low	31.3	Very low	173 Å²	173	142.7 Å²	142.7	93%	0.925	81%	0.809	S	S	*	*				-157.9	138.2	112.2	-91.1	-30.7	0	0	0	111.6
168	L	32.9	Very low	31.2	Very low	163 Å²	163	141 Å²	141	85%	0.853	81%	0.805	S	S	*	*			trans	-101.3	118	-169.1	-179.2	82.6	0	0	0	108.7
169	Q	31.5	Very low	31.2	Very low	179 Å²	179	139.7 Å²	139.7	84%	0.836	80%	0.803	S	S	*	*			trans	-160.3	120	149.5	-126.5	154.8	-27.9	0	0	116.8
170	T	28	Very low	31	Very low	125 Å²	125	140.5 Å²	140.5	77%	0.767	80%	0.802	S	S	*	*			trans	73.9	107.7	144.9	27.3	0	0	0	0	121.1
171	C	25	Very low	31.1	Very low	121 Å²	121	141.6 Å²	141.6	82%	0.818	80%	0.804	S	S	*	*			trans	-55.2	143.1	157.4	29.9	0	0	0	0	115.4
172	S	29.8	Very low	31.2	Very low	117 Å²	117	146.4 Å²	146.4	82%	0.818	81%	0.81	S	S	*	*			trans	-156.1	113.8	134.8	57	0	0	0	0	110.1
173	S	28	Very low	31.7	Very low	111 Å²	111	147.7 Å²	147.7	78%	0.776	81%	0.807	S	S	*	*			trans	-68.3	131.6	169.1	42.5	0	0	0	0	111.9
174	E	30.4	Very low	31.6	Very low	197 Å²	197	148.7 Å²	148.7	92%	0.921	81%	0.806	S	S	*	*			trans	-135.9	118.8	150.5	-70.6	-166.4	161	0	0	109.2
175	E	30.2	Very low	32.4	Very low	201 Å²	201	152.5 Å²	152.5	94%	0.939	81%	0.81	S	S	*	*			trans	-89.8	144.2	170.4	-67.4	-174.3	157.2	0	0	110.2
176	G	28.6	Very low	32.8	Very low	77 Å²	77	145.3 Å²	145.3	79%	0.794	79%	0.787	S	S	*	*			trans	127.5	125.3	172.3	0	0	0	0	0	110.2
177	S	29.1	Very low	33.8	Very low	112 Å²	112	143.6 Å²	143.6	78%	0.783	78%	0.783	S	S	*	*			cis	-166.4	139.8	25.6	50.3	0	0	0	0	110.5
178	V	32.6	Very low	35.5	Very low	128 Å²	128	141.6 Å²	141.6	78%	0.776	77%	0.768	S	S	*	*			trans	21.6	117.3	143.2	-172.7	0	0	0	0	119.2
179	D	34.6	Very low	37.9	Very low	137 Å²	137	139.4 Å²	139.4	73%	0.733	75%	0.754	S	S	*	*			trans	24.3	101.1	143.2	-76.1	-56.2	0	0	0	118.5
180	Q	32	Very low	40.7	Very low	171 Å²	171	133.9 Å²	133.9	80%	0.799	73%	0.725	S	S	*	*				-128	106	129.8	-68.7	-174.6	2.2	0	0	107.3	E182	Q180-E182 PolarHBondContact O-N 3.08Å
181	K	35.2	Very low	43.7	Very low	196 Å²	196	137.3 Å²	137.3	85%	0.852	72%	0.724	S	S	*	*			trans	-64.5	87.5	153.5	-80	-179.2	178.7	175.4	0	105.9	E183	K181-E183 VanDerWaalsContact C-N 3.32Å; K181-E183 PolarHBondContact O-N 3.16Å
182	E	33.6	Very low	47	Very low	163 Å²	163	133.2 Å²	133.2	76%	0.762	70%	0.702	S	S	*	*			trans	-54.8	107	156.3	-72.4	-172.2	152.6	0	0	105.5	Q180 D184	Q180-E182 PolarHBondContact O-N 3.08Å; E182-D184 VanDerWaalsContact C-N 3.26Å; E182-D184 PolarHBondContact O-N 3.45Å
183	E	39.5	Very low	50.1	Low	164 Å²	164	130.7 Å²	130.7	77%	0.766	67%	0.674	S	S	*	*			trans	-56.9	104.3	159.6	-73.7	-178	166.3	0	0	105.3	K181 K185	K181-E183 VanDerWaalsContact C-N 3.32Å; K181-E183 PolarHBondContact O-N 3.16Å; E183-K185 PolarHBondContact O-N 3.1Å
184	D	39.8	Very low	53.4	Low	130 Å²	130	130 Å²	130	70%	0.695	66%	0.655	S	S	*	*			trans	-52.7	88.3	169	-179.2	25	0	0	0	108	E182 G186 H188	E182-D184 VanDerWaalsContact C-N 3.26Å; E182-D184 PolarHBondContact O-N 3.45Å; D184-G186 PolarHBondContact O-N 2.87Å; D184-G186 PolarHBondContact OD1-N 2.9Å; D184-H188 IonicContact OD2-NE2 2.82Å
185	K	44.7	Very low	56.7	Low	189 Å²	189	121 Å²	121	82%	0.822	61%	0.613	S	S	*	*			trans	-75.5	55.3	164.2	-73.7	-174.3	-179.3	172.7	0	107.5	E183 D187	E183-K185 PolarHBondContact O-N 3.1Å; K185-D187 PolarHBondContact O-N 3.01Å; K185-D187 VanDerWaalsContact O-N 3.17Å
186	G	41.3	Very low	59.9	Low	30 Å²	30	111.4 Å²	111.4	31%	0.309	57%	0.568	S	S	.	*			trans	-62.3	116	169.8	0	0	0	0	0	107.7	D184 H188	D184-G186 PolarHBondContact O-N 2.87Å; D184-G186 PolarHBondContact OD1-N 2.9Å; G186-H188 PolarHBondContact O-N 2.99Å
187	D	52.1	Low	63.3	Low	131 Å²	131	108.8 Å²	108.8	70%	0.701	54%	0.537	S	S	*	.			trans	-62.7	52.2	164	-172.5	23.1	0	0	0	110	K185 E189	K185-D187 PolarHBondContact O-N 3.01Å; K185-D187 VanDerWaalsContact O-N 3.17Å; D187-E189 PolarHBondContact O-N 2.71Å
188	H	67	Low	66.6	Low	131 Å²	131	103.5 Å²	103.5	61%	0.606	50%	0.5	S	S	*	.			trans	-84	109.1	-177.2	-67.6	-43.4	0	0	0	107.8	D184 G186 W190	D184-H188 IonicContact OD2-NE2 2.82Å; G186-H188 PolarHBondContact O-N 2.99Å; H188-W190 PolarHBondContact O-N 2.93Å
189	E	82.9	Confident	69.8	Low	118 Å²	118	97.4 Å²	97.4	55%	0.551	46%	0.463	S	S	*	.			trans	-42.9	128.1	166.8	-177.4	174.9	-138.2	0	0	110.6	D187 R191	D187-E189 PolarHBondContact O-N 2.71Å; E189-R191 WeakPolarHBondContact O-CG 3.05Å; E189-R191 PolarHBondContact O-N 2.82Å; E189-R191 VanDerWaalsContact O-N 3.16Å
190	W	90.8	Very high	72.8	Confident	63 Å²	63	90.9 Å²	90.9	24%	0.239	43%	0.428	C	S	.	.			trans	-56.8	119.4	179.2	171.1	-105.2	0	0	0	111.2	L9 E13 R16 A17 H188 G192 W193	L9-W190 HydrophobicContact CD1-CH2 4.38Å; L9-W190 HydrophobicContact CD1-CZ2 3.88Å; L9-W190 HydrophobicContact CD2-CZ2 4.47Å; E13-W190 HydrophobicContact CB-CH2 4.08Å; E13-W190 HydrophobicContact CG-CH2 4.28Å; R16-W190 HydrophobicContact CB-CE3 3.69Å; R16-W190 HydrophobicContact CB-CZ3 4.02Å; A17-W190 HydrophobicContact CB-CD2 3.97Å; A17-W190 VanDerWaalsContact CB-CE2 3.48Å; A17-W190 HydrophobicContact CB-CG 4.26Å; A17-W190 HydrophobicContact CB-CZ2 3.79Å; H188-W190 PolarHBondContact O-N 2.93Å; W190-G192 VanDerWaalsContact CZ2-CA 3.45Å; W190-G192 VanDerWaalsContact NE1-C 3.3Å; W190-G192 PolarHBondContact NE1-O 2.87Å; W190-W193 PolarHBondContact NE1-O 3.43Å
191	R	90.8	Very high	76	Confident	197 Å²	197	82.7 Å²	82.7	74%	0.743	39%	0.39	S	S	*	.			trans	-105.6	5.7	178.2	-56.3	-165.7	-177.7	-78.4	-2.6	114	E189	E189-R191 WeakPolarHBondContact O-CG 3.05Å; E189-R191 PolarHBondContact O-N 2.82Å; E189-R191 VanDerWaalsContact O-N 3.16Å
192	G	93.8	Very high	79	Confident	34 Å²	34	73.5 Å²	73.5	35%	0.351	35%	0.35	S	S	.	.	S	Bend	trans	-84.5	-156.3	-179.9	0	0	0	0	0	112.5	W190 R194	W190-G192 VanDerWaalsContact CZ2-CA 3.45Å; W190-G192 VanDerWaalsContact NE1-C 3.3Å; W190-G192 PolarHBondContact NE1-O 2.87Å; G192-R194 PolarHBondContact O-N 3.09Å
193	W	95.8	Very high	82.1	Confident	65 Å²	65	66 Å²	66	25%	0.246	32%	0.315	C	S	.	.			trans	-61.8	127.4	-179.4	-168.7	-91.7	0	0	0	111.6	L9 D125 F141 Y143 Q146 W190 L195	L9-W193 HydrophobicContact CD2-CB 4.48Å; D125-W193 PolarHBondContact O-NE1 2.8Å; F141-W193 HydrophobicContact CE1-CZ2 4.25Å; Y143-W193 AromaticContact CD2-CH2 3.8Å; Y143-W193 HydrophobicContact CD2-CH2 3.8Å; Y143-W193 AromaticContact CD2-CZ2 3.59Å; Y143-W193 HydrophobicContact CD2-CZ2 3.59Å; Y143-W193 AromaticContact CE2-CH2 3.97Å; Y143-W193 HydrophobicContact CE2-CH2 3.97Å; Y143-W193 HydrophobicContact CE2-CZ2 4.24Å; Y143-W193 HydrophobicContact CG-CH2 4.48Å; Y143-W193 HydrophobicContact CG-CZ2 4.02Å; Q146-W193 HydrophobicContact CG-CD2 4.16Å; Q146-W193 HydrophobicContact CG-CE3 3.9Å; Q146-W193 HydrophobicContact CG-CH2 3.69Å; Q146-W193 HydrophobicContact CG-CZ2 3.93Å; Q146-W193 HydrophobicContact CG-CZ3 3.67Å; W190-W193 PolarHBondContact NE1-O 3.43Å; W193-L195 PolarHBondContact O-N 2.81Å
194	R	97.4	Very high	84.9	Confident	95 Å²	95	59.9 Å²	59.9	36%	0.358	29%	0.29	S	S	.	.			trans	-75	105.1	171.4	-176.6	-177.4	-177.1	-159	-3	108.7	F144 Q146 G192 D240	F144-R194 HydrophobicContact CD2-CG 4.27Å; Q146-R194 PolarHBondContact NE2-O 3.06Å; G192-R194 PolarHBondContact O-N 3.09Å; R194-D240 IonicContact CZ-OD1 3.92Å; R194-D240 IonicContact NH1-OD1 3.69Å; R194-D240 IonicContact NH2-OD1 2.8Å; R194-D240 PolarHBondContact NH2-OD1 2.93Å
195	L	98.5	Very high	87.7	Confident	9 Å²	9	54 Å²	54	5%	0.047	26%	0.258	C	S	.	.			trans	-62.7	138.9	177.1	-68.6	172.6	0	0	0	111.2	L9 A17 L123 A124 D125 F144 W193	L9-L195 HydrophobicContact CD1-CD1 4.11Å; L9-L195 HydrophobicContact CD1-CD2 3.81Å; L9-L195 HydrophobicContact CD1-CG 3.99Å; L9-L195 HydrophobicContact CG-CD2 4.34Å; A17-L195 HydrophobicContact CB-CD1 3.62Å; A17-L195 HydrophobicContact CB-CG 4.06Å; L123-L195 HydrophobicContact CB-CD1 4.32Å; L123-L195 HydrophobicContact CD1-CD1 4.44Å; A124-L195 CarbonylContact O-C 3.59Å; A124-L195 WeakPolarHBondContact O-CA 3.04Å; A124-L195 WeakPolarHBondContact O-CD2 3.26Å; D125-L195 WeakPolarHBondContact OD1-CD2 3.46Å; F144-L195 WeakPolarHBondContact CD2-O 3.35Å; W193-L195 PolarHBondContact O-N 2.81Å
196	L	98.6	Very high	90.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	130.7	166.2	-167.8	67.7	0	0	0	110.1	A124 F127 F144 I198 I238 L269	A124-L196 PolarHBondContact N-O 2.83Å; A124-L196 WeakPolarHBondContact O-CA 3.43Å; A124-L196 WeakPolarHBondContact O-CB 3.43Å; A124-L196 PolarHBondContact O-N 2.88Å; F127-L196 HydrophobicContact CD1-CD2 3.6Å; F127-L196 HydrophobicContact CE1-CD2 4.18Å; F144-L196 HydrophobicContact CD1-CD1 4.21Å; F144-L196 HydrophobicContact CD2-CB 4.4Å; F144-L196 HydrophobicContact CD2-CD1 3.73Å; F144-L196 HydrophobicContact CE1-CD1 4.18Å; F144-L196 HydrophobicContact CE2-CD1 3.71Å; F144-L196 HydrophobicContact CG-CD1 3.98Å; F144-L196 HydrophobicContact CZ-CD1 3.93Å; L196-I198 HydrophobicContact CD2-CD1 3.97Å; L196-I198 HydrophobicContact CD2-CG1 3.98Å; L196-I198 HydrophobicContact CG-CD1 4.41Å; L196-I198 HydrophobicContact CG-CG1 3.98Å; L196-I238 HydrophobicContact CD1-CD1 3.78Å; L196-I238 HydrophobicContact CD1-CG1 4.33Å; L196-I238 HydrophobicContact CD1-CG2 4.14Å; L196-I238 HydrophobicContact CD2-CD1 4.03Å; L196-I238 HydrophobicContact CG-CD1 3.93Å; L196-L269 HydrophobicContact CD1-CD2 3.59Å
197	T	98.8	Very high	92.8	Very high	22 Å²	22	48.3 Å²	48.3	14%	0.135	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	101	-176.8	35.5	0	0	0	0	109.5	V121 L123 F144 L239 V245	V121-T197 HydrophobicContact CG1-CG2 3.75Å; L123-T197 HydrophobicContact CD2-CG2 3.99Å; F144-T197 WeakPolarHBondContact CE2-OG1 3.46Å; T197-L239 WeakPolarHBondContact CB-O 3.48Å; T197-L239 PolarHBondContact O-N 2.81Å; T197-L239 PolarHBondContact OG1-O 3.36Å; T197-V245 HydrophobicContact CG2-CG2 3.99Å
198	I	98.9	Very high	94.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.3	-172.9	-58.1	165.5	0	0	0	109.8	V121 I122 A124 L196 G200 V219 P236 I238	V121-I198 CarbonylContact C-O 3.51Å; V121-I198 WeakPolarHBondContact CA-O 3.17Å; I122-I198 HydrophobicContact CB-CB 4.18Å; I122-I198 HydrophobicContact CD1-CG2 4.26Å; I122-I198 PolarHBondContact N-O 2.97Å; I122-I198 PolarHBondContact O-N 2.96Å; A124-I198 HydrophobicContact CB-CD1 4.46Å; L196-I198 HydrophobicContact CD2-CD1 3.97Å; L196-I198 HydrophobicContact CD2-CG1 3.98Å; L196-I198 HydrophobicContact CG-CD1 4.41Å; L196-I198 HydrophobicContact CG-CG1 3.98Å; I198-G200 PolarHBondContact O-N 3.3Å; I198-V219 HydrophobicContact CG2-CG1 3.79Å; I198-P236 HydrophobicContact CD1-CB 4.5Å; I198-P236 HydrophobicContact CG1-CB 4.36Å; I198-P236 HydrophobicContact CG2-CB 3.74Å; I198-I238 HydrophobicContact CG1-CD1 3.83Å
199	A	98.9	Very high	96.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	126.4	175.6	0	0	0	0	0	111	I220 A237 L239 W248 L263	A199-I220 HydrophobicContact CB-CD1 4.2Å; A199-I220 WeakPolarHBondContact O-CB 3.23Å; A199-I220 PolarHBondContact O-N 3.42Å; A199-A237 HydrophobicContact CB-CB 4Å; A199-A237 PolarHBondContact N-O 2.8Å; A199-L239 HydrophobicContact CB-CD1 3.9Å; A199-L239 HydrophobicContact CB-CD2 4.31Å; A199-L239 HydrophobicContact CB-CG 3.98Å; A199-W248 HydrophobicContact CB-CD2 4.29Å; A199-W248 HydrophobicContact CB-CZ2 4.01Å; A199-L263 HydrophobicContact CB-CD2 3.79Å
200	G	98.8	Very high	96.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	161.6	177.4	0	0	0	0	0	113	C120 I198 T218	C120-G200 PolarHBondContact N-O 2.96Å; C120-G200 PolarHBondContact O-N 3.32Å; C120-G200 VanDerWaalsContact O-O 3.11Å; I198-G200 PolarHBondContact O-N 3.3Å; G200-T218 WeakPolarHBondContact CA-O 3.26Å
201	L	98.8	Very high	96.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	145.1	163.4	-64.5	176.8	0	0	0	108.6	L104 L114 Q118 R119 Y217 T218 I220 W248	L104-L201 HydrophobicContact CD2-CD1 3.64Å; L114-L201 HydrophobicContact CB-CD1 4.04Å; L114-L201 HydrophobicContact CB-CD2 4.13Å; L114-L201 HydrophobicContact CD1-CD2 3.98Å; Q118-L201 WeakPolarHBondContact O-CA 3.35Å; R119-L201 HydrophobicContact CG-CD2 3.96Å; L201-Y217 CarbonylContact O-C 3.52Å; L201-Y217 WeakPolarHBondContact O-CA 3.48Å; L201-Y217 WeakPolarHBondContact O-CB 3.44Å; L201-T218 HydrophobicContact CB-CG2 4Å; L201-T218 PolarHBondContact N-O 3.37Å; L201-T218 PolarHBondContact O-N 2.82Å; L201-I220 HydrophobicContact CG-CD1 4.27Å; L201-W248 HydrophobicContact CD2-CZ2 4.29Å
202	F	98.9	Very high	97	Very high	3 Å²	3	37.2 Å²	37.2	1%	0.013	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	157.5	174.6	75.9	-89.7	0	0	0	111.6	L56 H60 M75 P113 Q118 C120 Y215 T216	L56-F202 HydrophobicContact CD1-CD1 4.27Å; L56-F202 HydrophobicContact CD1-CE1 3.63Å; L56-F202 HydrophobicContact CD1-CE2 4.29Å; L56-F202 HydrophobicContact CD1-CZ 3.66Å; H60-F202 HydrophobicContact CB-CZ 4.25Å; H60-F202 AromaticContact CD2-CE1 3.96Å; H60-F202 AromaticContact CD2-CZ 3.7Å; H60-F202 AromaticContact CE1-CZ 3.95Å; H60-F202 AromaticContact CG-CZ 3.7Å; H60-F202 AromaticContact ND1-CZ 3.86Å; H60-F202 AromaticContact NE2-CE1 3.89Å; H60-F202 AromaticContact NE2-CZ 3.85Å; M75-F202 HydrophobicContact CE-CB 4.15Å; M75-F202 HydrophobicContact CE-CD1 4.36Å; M75-F202 HydrophobicContact CE-CD2 3.88Å; M75-F202 HydrophobicContact CE-CE2 4.36Å; M75-F202 HydrophobicContact CE-CG 3.88Å; M75-F202 HydrophobicContact SD-CB 3.55Å; M75-F202 VanDerWaalsContact SD-CB 3.55Å; M75-F202 HydrophobicContact SD-CD2 4.28Å; M75-F202 HydrophobicContact SD-CG 3.98Å; P113-F202 WeakPolarHBondContact CB-O 3.4Å; Q118-F202 HydrophobicContact CB-CD1 3.85Å; Q118-F202 HydrophobicContact CB-CD2 4.15Å; Q118-F202 HydrophobicContact CB-CE1 3.65Å; Q118-F202 HydrophobicContact CB-CE2 3.95Å; Q118-F202 HydrophobicContact CB-CG 4.1Å; Q118-F202 HydrophobicContact CB-CZ 3.69Å; Q118-F202 WeakPolarHBondContact CB-O 3.37Å; Q118-F202 HydrophobicContact CG-CD2 4.46Å; Q118-F202 HydrophobicContact CG-CE1 4.33Å; Q118-F202 HydrophobicContact CG-CE2 3.93Å; Q118-F202 HydrophobicContact CG-CZ 3.85Å; Q118-F202 VanDerWaalsContact O-CD1 3.31Å; Q118-F202 WeakPolarHBondContact O-CD1 3.34Å; Q118-F202 PolarHBondContact O-N 2.87Å; C120-F202 HydrophobicContact CB-CD1 3.95Å; F202-Y215 HydrophobicContact CD2-CD1 4.19Å; F202-Y215 HydrophobicContact CE2-CD1 4.28Å; F202-Y215 HydrophobicContact CE2-CE1 4.42Å; F202-T216 CarbonylContact C-O 3.58Å; F202-T216 WeakPolarHBondContact CA-O 3.43Å; F202-T216 VanDerWaalsContact CB-O 3.31Å; F202-T216 WeakPolarHBondContact CB-O 3.41Å
203	D	98.5	Very high	97.1	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.032	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	161.6	167.3	-156.7	0.4	0	0	0	110	L79 P81 A82 P113 Q118 T216	L79-D203 HydrophobicContact CD1-CB 4.27Å; L79-D203 HydrophobicContact CD2-CB 4.33Å; L79-D203 HydrophobicContact CG-CB 4.17Å; P81-D203 WeakPolarHBondContact CA-OD2 3.35Å; A82-D203 PolarHBondContact N-OD2 3.08Å; P113-D203 HydrophobicContact CG-CB 4.08Å; Q118-D203 PolarHBondContact NE2-OD1 2.93Å; Q118-D203 PolarHBondContact OE1-OD1 2.9Å; D203-T216 PolarHBondContact N-O 2.94Å; D203-T216 PolarHBondContact O-N 2.94Å
204	C	98	Very high	97.2	Very high	35 Å²	35	37.6 Å²	37.6	24%	0.236	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	113.5	-179.7	176.7	0	0	0	0	108.9	P213 Y215	C204-P213 VanDerWaalsContact SG-CB 3.55Å; C204-Y215 HydrophobicContact CB-CD1 4.09Å; C204-Y215 HydrophobicContact CB-CE1 3.83Å
205	W	97.9	Very high	97.2	Very high	5 Å²	5	35.7 Å²	35.7	2%	0.019	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.3	179.4	169.6	81.6	0	0	0	110.1	V80 F84 E86 N87 P89 P207 L214	V80-W205 HydrophobicContact CB-CB 4.19Å; V80-W205 HydrophobicContact CB-CG 4.4Å; V80-W205 HydrophobicContact CG1-CB 3.81Å; V80-W205 HydrophobicContact CG1-CD2 3.69Å; V80-W205 HydrophobicContact CG1-CE3 4.13Å; V80-W205 HydrophobicContact CG1-CG 3.52Å; F84-W205 HydrophobicContact CD1-CZ2 4.38Å; F84-W205 AromaticContact CD1-NE1 3.99Å; F84-W205 PolarHBondContact O-NE1 3.16Å; E86-W205 WeakPolarHBondContact O-CZ2 3.24Å; N87-W205 WeakPolarHBondContact O-CH2 3.19Å; P89-W205 HydrophobicContact CB-CZ3 4.23Å; P89-W205 HydrophobicContact CG-CZ3 4.27Å; W205-P207 HydrophobicContact CH2-CB 3.79Å; W205-P207 HydrophobicContact CH2-CG 3.69Å; W205-P207 VanDerWaalsContact CZ2-CA 3.48Å; W205-P207 HydrophobicContact CZ2-CB 4.19Å; W205-P207 HydrophobicContact CZ2-CG 4.42Å; W205-P207 HydrophobicContact CZ3-CB 4.36Å; W205-P207 HydrophobicContact CZ3-CG 3.75Å; W205-L214 HydrophobicContact CE3-CB 3.9Å; W205-L214 HydrophobicContact CE3-CD2 3.87Å; W205-L214 HydrophobicContact CZ3-CB 4.42Å; W205-L214 HydrophobicContact CZ3-CD2 4.11Å; W205-L214 PolarHBondContact N-O 3.25Å; W205-L214 PolarHBondContact O-N 2.84Å
206	T	97.4	Very high	97.3	Very high	76 Å²	76	35.3 Å²	35.3	47%	0.466	23%	0.229	S	C	.	.			trans	-111	131.6	174.9	-55.2	0	0	0	0	108.7
207	P	96.3	Very high	97.3	Very high	24 Å²	24	35.3 Å²	35.3	16%	0.156	23%	0.229	C	C	.	.			trans	-54.8	132.2	176.8	-22.9	31.1	0	0	0	111.9	W205 S209 G210	W205-P207 HydrophobicContact CH2-CB 3.79Å; W205-P207 HydrophobicContact CH2-CG 3.69Å; W205-P207 VanDerWaalsContact CZ2-CA 3.48Å; W205-P207 HydrophobicContact CZ2-CB 4.19Å; W205-P207 HydrophobicContact CZ2-CG 4.42Å; W205-P207 HydrophobicContact CZ3-CB 4.36Å; W205-P207 HydrophobicContact CZ3-CG 3.75Å; P207-S209 PolarHBondContact O-N 3.46Å; P207-G210 WeakPolarHBondContact O-CA 3.29Å; P207-G210 PolarHBondContact O-N 2.89Å
208	P	96	Very high	97.3	Very high	75 Å²	75	34.3 Å²	34.3	49%	0.487	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-29.9	176.3	-27.4	34.7	0	0	0	113.8	K85 N87 G210	K85-P208 WeakPolarHBondContact O-CG 3.44Å; N87-P208 WeakPolarHBondContact OD1-CD 3.49Å; P208-G210 PolarHBondContact O-N 2.9Å
209	S	95.3	Very high	97.3	Very high	88 Å²	88	34.4 Å²	34.4	62%	0.615	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-3.6	172.7	57.3	0	0	0	0	114.6	N87 P207	N87-S209 WeakPolarHBondContact OD1-CB 3.25Å; N87-S209 PolarHBondContact OD1-N 3.35Å; N87-S209 PolarHBondContact OD1-OG 3.23Å; P207-S209 PolarHBondContact O-N 3.46Å
210	G	93.6	Very high	97.3	Very high	46 Å²	46	34.4 Å²	34.4	47%	0.474	22%	0.224	S	C	.	.			trans	87.4	157.1	-168.6	0	0	0	0	0	112.8	P207 P208	P207-G210 WeakPolarHBondContact O-CA 3.29Å; P207-G210 PolarHBondContact O-N 2.89Å; P208-G210 PolarHBondContact O-N 2.9Å
211	G	93.3	Very high	97.2	Very high	53 Å²	53	34.4 Å²	34.4	55%	0.546	22%	0.224	S	C	.	.			trans	143.1	-179.2	-178.1	0	0	0	0	0	112.5
212	D	93.9	Very high	97.2	Very high	145 Å²	145	34.8 Å²	34.8	78%	0.775	23%	0.226	S	C	*	.	P	Polyproline II helix	trans	-67.6	145.7	176.9	-71.9	-24.8	0	0	0	111.6	L214	D212-L214 PolarHBondContact O-N 3.25Å
213	P	96	Very high	97.1	Very high	63 Å²	63	38.9 Å²	38.9	41%	0.409	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-62.9	130.2	173.2	25.4	-32.8	0	0	0	111.1	C204 Y215	C204-P213 VanDerWaalsContact SG-CB 3.55Å; P213-Y215 HydrophobicContact CB-CE2 4.13Å; P213-Y215 HydrophobicContact CG-CE2 4.18Å
214	L	97.4	Very high	97.1	Very high	44 Å²	44	38.8 Å²	38.8	23%	0.23	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	116.9	173.6	-178.6	67.1	0	0	0	109.9	R76 V80 P89 W205 D212 T216	R76-L214 HydrophobicContact CB-CD1 4.43Å; V80-L214 HydrophobicContact CG2-CD2 4.44Å; P89-L214 HydrophobicContact CB-CD2 3.91Å; P89-L214 HydrophobicContact CG-CD2 3.96Å; W205-L214 HydrophobicContact CE3-CB 3.9Å; W205-L214 HydrophobicContact CE3-CD2 3.87Å; W205-L214 HydrophobicContact CZ3-CB 4.42Å; W205-L214 HydrophobicContact CZ3-CD2 4.11Å; W205-L214 PolarHBondContact N-O 3.25Å; W205-L214 PolarHBondContact O-N 2.84Å; D212-L214 PolarHBondContact O-N 3.25Å; L214-T216 HydrophobicContact CD1-CG2 4.42Å; L214-T216 HydrophobicContact CD2-CG2 3.7Å; L214-T216 HydrophobicContact CG-CG2 3.63Å
215	Y	98.5	Very high	97	Very high	56 Å²	56	37.1 Å²	37.1	22%	0.22	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	126.7	170.9	-68.5	-96.3	0	0	0	110	F61 M75 R76 F202 C204 P213	F61-Y215 HydrophobicContact CE1-CD1 4.37Å; F61-Y215 AromaticContact CE1-CE1 3.69Å; F61-Y215 HydrophobicContact CE1-CE1 3.69Å; F61-Y215 HydrophobicContact CE1-CE2 4.26Å; F61-Y215 AromaticContact CE1-CZ 3.63Å; F61-Y215 HydrophobicContact CZ-CE1 4.35Å; M75-Y215 HydrophobicContact CE-CD1 4.08Å; M75-Y215 HydrophobicContact CE-CG 4.45Å; R76-Y215 PolarHBondContact N-O 2.82Å; F202-Y215 HydrophobicContact CD2-CD1 4.19Å; F202-Y215 HydrophobicContact CE2-CD1 4.28Å; F202-Y215 HydrophobicContact CE2-CE1 4.42Å; C204-Y215 HydrophobicContact CB-CD1 4.09Å; C204-Y215 HydrophobicContact CB-CE1 3.83Å; P213-Y215 HydrophobicContact CB-CE2 4.13Å; P213-Y215 HydrophobicContact CG-CE2 4.18Å
216	T	98.8	Very high	96.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	151	-176.8	61.2	0	0	0	0	110.8	R76 G78 L79 V80 F202 D203 L214	R76-T216 HydrophobicContact CB-CG2 3.99Å; R76-T216 HydrophobicContact CG-CG2 4.43Å; R76-T216 CarbonylContact O-C 3.56Å; R76-T216 WeakPolarHBondContact O-CA 3.35Å; G78-T216 WeakPolarHBondContact O-CB 3.3Å; L79-T216 WeakPolarHBondContact CA-OG1 3.31Å; V80-T216 HydrophobicContact CB-CG2 4.07Å; V80-T216 HydrophobicContact CG2-CG2 3.84Å; V80-T216 PolarHBondContact N-OG1 3.23Å; F202-T216 CarbonylContact C-O 3.58Å; F202-T216 WeakPolarHBondContact CA-O 3.43Å; F202-T216 VanDerWaalsContact CB-O 3.31Å; F202-T216 WeakPolarHBondContact CB-O 3.41Å; D203-T216 PolarHBondContact N-O 2.94Å; D203-T216 PolarHBondContact O-N 2.94Å; L214-T216 HydrophobicContact CD1-CG2 4.42Å; L214-T216 HydrophobicContact CD2-CG2 3.7Å; L214-T216 HydrophobicContact CG-CG2 3.63Å
217	Y	98.9	Very high	96.8	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	160.3	-179.1	75.5	-92.4	0	0	0	113.5	S52 V54 M75 R76 W77 G78 L79 I122 L201 V219	S52-Y217 WeakPolarHBondContact CB-OH 3.16Å; S52-Y217 PolarHBondContact OG-OH 2.72Å; S52-Y217 VanDerWaalsContact OG-OH 3.1Å; V54-Y217 HydrophobicContact CG1-CD1 4.11Å; V54-Y217 HydrophobicContact CG1-CE1 4.35Å; V54-Y217 HydrophobicContact CG1-CG 4.46Å; M75-Y217 HydrophobicContact CB-CD1 3.73Å; M75-Y217 HydrophobicContact CB-CE1 4.46Å; R76-Y217 WeakPolarHBondContact O-CD1 3.11Å; R76-Y217 PolarHBondContact O-N 2.98Å; W77-Y217 HydrophobicContact CB-CE1 3.76Å; W77-Y217 HydrophobicContact CB-CE2 4.11Å; W77-Y217 VanDerWaalsContact CB-CZ 3.49Å; W77-Y217 WeakPolarHBondContact CB-OH 3.28Å; W77-Y217 AromaticContact CD1-CE2 3.61Å; W77-Y217 AromaticContact CD1-CZ 3.92Å; W77-Y217 HydrophobicContact CD2-CE2 4.3Å; W77-Y217 HydrophobicContact CG-CE1 4.33Å; W77-Y217 AromaticContact CG-CE2 3.77Å; W77-Y217 HydrophobicContact CG-CE2 3.77Å; W77-Y217 AromaticContact CG-CZ 3.6Å; G78-Y217 CarbonylContact C-O 3.59Å; G78-Y217 WeakPolarHBondContact CA-O 3.04Å; G78-Y217 PolarHBondContact N-O 3.09Å; L79-Y217 PolarHBondContact N-O 2.96Å; L79-Y217 VanDerWaalsContact N-O 3.14Å; I122-Y217 HydrophobicContact CB-CE2 4.41Å; I122-Y217 HydrophobicContact CD1-CD2 3.39Å; I122-Y217 HydrophobicContact CD1-CE2 3.56Å; I122-Y217 HydrophobicContact CD1-CG 4.35Å; I122-Y217 HydrophobicContact CG1-CD2 3.56Å; I122-Y217 HydrophobicContact CG1-CE2 3.6Å; I122-Y217 HydrophobicContact CG1-CG 4.15Å; I122-Y217 HydrophobicContact CG2-CE2 3.96Å; L201-Y217 CarbonylContact O-C 3.52Å; L201-Y217 WeakPolarHBondContact O-CA 3.48Å; L201-Y217 WeakPolarHBondContact O-CB 3.44Å; Y217-V219 HydrophobicContact CE2-CG2 4.01Å
218	T	98.8	Very high	96.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	144.5	168.6	-167.3	0	0	0	0	110.3	L79 T96 N97 N98 C99 Y110 G200 L201	L79-T218 HydrophobicContact CB-CG2 4.45Å; L79-T218 HydrophobicContact CD1-CG2 3.87Å; T96-T218 WeakPolarHBondContact O-CB 3.32Å; T96-T218 PolarHBondContact O-OG1 3.45Å; N97-T218 PolarHBondContact O-OG1 3.23Å; N98-T218 WeakPolarHBondContact CA-OG1 3.18Å; N98-T218 PolarHBondContact N-OG1 3.31Å; C99-T218 HydrophobicContact CB-CG2 4.07Å; C99-T218 PolarHBondContact N-OG1 2.99Å; C99-T218 WeakPolarHBondContact SG-CG2 3.47Å; Y110-T218 HydrophobicContact CD1-CG2 3.95Å; Y110-T218 HydrophobicContact CE1-CG2 3.9Å; G200-T218 WeakPolarHBondContact CA-O 3.26Å; L201-T218 HydrophobicContact CB-CG2 4Å; L201-T218 PolarHBondContact N-O 3.37Å; L201-T218 PolarHBondContact O-N 2.82Å
219	V	98.8	Very high	96.9	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.012	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	124	175	171.1	0	0	0	0	109.2	W77 N97 N98 C99 I122 I198 Y217 T221 P236	W77-V219 HydrophobicContact CZ2-CG2 4Å; N97-V219 PolarHBondContact O-N 2.99Å; N98-V219 CarbonylContact C-O 3.51Å; N98-V219 WeakPolarHBondContact CA-O 3.02Å; C99-V219 PolarHBondContact N-O 3.23Å; I122-V219 HydrophobicContact CD1-CG2 3.94Å; I198-V219 HydrophobicContact CG2-CG1 3.79Å; Y217-V219 HydrophobicContact CE2-CG2 4.01Å; V219-T221 HydrophobicContact CG1-CG2 4.22Å; V219-T221 PolarHBondContact O-N 3.04Å; V219-P236 HydrophobicContact CG1-CB 3.88Å
220	I	98.7	Very high	96.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	132.1	171	-57.4	171.4	0	0	0	108.6	C99 L104 A199 L201 P236 A237 W248 L263	C99-I220 CarbonylContact O-C 3.5Å; C99-I220 WeakPolarHBondContact O-CA 3.43Å; C99-I220 VanDerWaalsContact SG-CG1 3.58Å; L104-I220 HydrophobicContact CD1-CD1 4.19Å; L104-I220 HydrophobicContact CD1-CG2 4.2Å; A199-I220 HydrophobicContact CB-CD1 4.2Å; A199-I220 WeakPolarHBondContact O-CB 3.23Å; A199-I220 PolarHBondContact O-N 3.42Å; L201-I220 HydrophobicContact CG-CD1 4.27Å; I220-P236 CarbonylContact O-C 3.54Å; I220-P236 WeakPolarHBondContact O-CA 3.38Å; I220-A237 HydrophobicContact CB-CB 3.95Å; I220-A237 HydrophobicContact CG2-CB 3.93Å; I220-A237 PolarHBondContact O-N 3Å; I220-W248 HydrophobicContact CD1-CH2 3.45Å; I220-W248 VanDerWaalsContact CD1-CH2 3.45Å; I220-W248 HydrophobicContact CD1-CZ2 3.46Å; I220-W248 VanDerWaalsContact CD1-CZ2 3.46Å; I220-L263 HydrophobicContact CD1-CD1 4.22Å; I220-L263 HydrophobicContact CD1-CD2 4.36Å; I220-L263 HydrophobicContact CG2-CD1 4.12Å
221	T	98.4	Very high	97.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	149.1	176.3	60.7	0	0	0	0	111.3	M1 N98 C99 S101 V219 R234 M235	M1-T221 HydrophobicContact CG-CG2 4.46Å; M1-T221 HydrophobicContact SD-CG2 4.33Å; N98-T221 HydrophobicContact CB-CG2 3.85Å; C99-T221 PolarHBondContact O-N 3.47Å; C99-T221 PolarHBondContact O-OG1 2.92Å; S101-T221 PolarHBondContact N-O 3.3Å; S101-T221 PolarHBondContact OG-O 2.88Å; V219-T221 HydrophobicContact CG1-CG2 4.22Å; V219-T221 PolarHBondContact O-N 3.04Å; T221-R234 PolarHBondContact O-NH2 2.89Å; T221-M235 CarbonylContact C-O 3.59Å; T221-M235 VanDerWaalsContact CA-O 3.25Å; T221-M235 WeakPolarHBondContact CA-O 3.36Å; T221-M235 WeakPolarHBondContact CB-O 3.48Å
222	M	97.3	Very high	97.3	Very high	9 Å²	9	37.5 Å²	37.5	4%	0.044	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	178.4	179.8	58.1	-176.3	52.1	0	0	110	R234 M235 A237 L263 S265	M222-R234 VanDerWaalsContact CA-CZ 3.43Å; M222-R234 VanDerWaalsContact O-CA 3.29Å; M222-R234 WeakPolarHBondContact O-CA 3.36Å; M222-R234 WeakPolarHBondContact O-CD 3.22Å; M222-R234 PolarHBondContact O-NE 2.78Å; M222-M235 HydrophobicContact CG-CG 4.12Å; M222-M235 PolarHBondContact N-O 3.48Å; M222-M235 PolarHBondContact O-N 2.92Å; M222-A237 HydrophobicContact CE-CB 3.38Å; M222-A237 HydrophobicContact SD-CB 4.36Å; M222-L263 HydrophobicContact CE-CB 3.59Å; M222-S265 PolarHBondContact SD-N 2.95Å; M222-S265 VanDerWaalsContact SD-N 3.45Å
223	D	97.6	Very high	97.4	Very high	89 Å²	89	35.3 Å²	35.3	48%	0.476	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	138.5	174.6	-66.8	-28.9	0	0	0	111.2	R234 S265	D223-R234 IonicContact OD1-CZ 2.69Å; D223-R234 IonicContact OD1-NH1 3.67Å; D223-R234 PolarHBondContact OD1-NH1 3.44Å; D223-S265 WeakPolarHBondContact O-CB 3.38Å; D223-S265 PolarHBondContact O-OG 3.42Å
224	A	97.5	Very high	97.5	Very high	3 Å²	3	32.6 Å²	32.6	3%	0.025	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-63.4	141.3	179.4	0	0	0	0	0	111.3	L228 Q229 H232 D233 M235	A224-L228 HydrophobicContact CB-CB 4.22Å; A224-Q229 HydrophobicContact CB-CG 3.98Å; A224-Q229 WeakPolarHBondContact O-CG 3.38Å; A224-Q229 PolarHBondContact O-NE2 2.8Å; A224-H232 WeakPolarHBondContact CB-O 3.21Å; A224-D233 PolarHBondContact N-O 2.83Å; A224-M235 HydrophobicContact CB-CB 4.45Å
225	S	96.4	Very high	97.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-64	152	172.9	60.3	0	0	0	0	110.2	N227 L228 Q229 M235 S265 K266 N267	S225-N227 WeakPolarHBondContact CB-OD1 3.21Å; S225-N227 PolarHBondContact O-N 2.95Å; S225-N227 PolarHBondContact OG-OD1 2.94Å; S225-L228 PolarHBondContact O-N 3.06Å; S225-Q229 WeakPolarHBondContact O-CG 3.43Å; S225-Q229 PolarHBondContact O-N 2.8Å; S225-M235 PolarHBondContact N-SD 2.88Å; S225-S265 WeakPolarHBondContact CA-OG 3.43Å; S225-S265 WeakPolarHBondContact CB-OG 3.38Å; S225-S265 PolarHBondContact N-OG 3.13Å; S225-K266 WeakPolarHBondContact CB-O 3.49Å; S225-N267 VanDerWaalsContact CB-OD1 3.29Å; S225-N267 WeakPolarHBondContact CB-OD1 3.16Å
226	P	96	Very high	97.5	Very high	91 Å²	91	28 Å²	28	59%	0.591	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.8	-38	-176.5	-33	34.8	0	0	0	115.1	L228 N267	P226-L228 VanDerWaalsContact C-N 3.3Å; P226-L228 PolarHBondContact O-N 2.89Å; P226-N267 VanDerWaalsContact CD-OD1 3.3Å; P226-N267 WeakPolarHBondContact CD-OD1 3.38Å
227	N	95.9	Very high	97.5	Very high	56 Å²	56	28 Å²	28	30%	0.299	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-19.9	178.5	72	-43.5	0	0	0	114.4	S225 N267 L269 F271	S225-N227 WeakPolarHBondContact CB-OD1 3.21Å; S225-N227 PolarHBondContact O-N 2.95Å; S225-N227 PolarHBondContact OG-OD1 2.94Å; N227-N267 PolarHBondContact OD1-OD1 2.9Å; N227-N267 VanDerWaalsContact OD1-OD1 3.08Å; N227-L269 PolarHBondContact ND2-O 2.84Å; N227-F271 VanDerWaalsContact O-CE1 3.32Å; N227-F271 WeakPolarHBondContact O-CE1 3.49Å
228	L	97.3	Very high	97.5	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.031	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-13.9	-179.2	-65.1	180	0	0	0	113.8	I142 A224 S225 P226 G230 I231 H232 M235 L269 F271	I142-L228 HydrophobicContact CD1-CD2 4.15Å; I142-L228 HydrophobicContact CG1-CD2 4.34Å; I142-L228 HydrophobicContact CG2-CD1 4.13Å; I142-L228 HydrophobicContact CG2-CD2 3.94Å; A224-L228 HydrophobicContact CB-CB 4.22Å; S225-L228 PolarHBondContact O-N 3.06Å; P226-L228 VanDerWaalsContact C-N 3.3Å; P226-L228 PolarHBondContact O-N 2.89Å; L228-G230 PolarHBondContact O-N 2.64Å; L228-I231 HydrophobicContact CD2-CD1 4.12Å; L228-I231 WeakPolarHBondContact O-CA 3.4Å; L228-I231 WeakPolarHBondContact O-CB 3.45Å; L228-I231 PolarHBondContact O-N 3.19Å; L228-H232 PolarHBondContact O-N 3.1Å; L228-H232 VanDerWaalsContact O-N 3.08Å; L228-M235 HydrophobicContact CD1-CB 4.41Å; L228-M235 HydrophobicContact CD1-CE 3.8Å; L228-M235 HydrophobicContact CD1-SD 4.12Å; L228-L269 HydrophobicContact CD1-CB 4.44Å; L228-L269 HydrophobicContact CD1-CD1 4.04Å; L228-F271 HydrophobicContact CD2-CD1 3.41Å; L228-F271 VanDerWaalsContact CD2-CD1 3.41Å; L228-F271 HydrophobicContact CD2-CE1 3.73Å; L228-F271 HydrophobicContact CD2-CG 4.33Å
229	Q	95.8	Very high	97.5	Very high	116 Å²	116	28.3 Å²	28.3	54%	0.542	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-31.7	179.3	-76.5	174.5	13.3	0	0	113	A224 S225 I231	A224-Q229 HydrophobicContact CB-CG 3.98Å; A224-Q229 WeakPolarHBondContact O-CG 3.38Å; A224-Q229 PolarHBondContact O-NE2 2.8Å; S225-Q229 WeakPolarHBondContact O-CG 3.43Å; S225-Q229 PolarHBondContact O-N 2.8Å; Q229-I231 PolarHBondContact O-N 3.39Å
230	G	96.1	Very high	97.4	Very high	57 Å²	57	30.5 Å²	30.5	59%	0.588	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-13.7	173.8	0	0	0	0	0	114.4	R131 L228	R131-G230 WeakPolarHBondContact CD-O 3.37Å; R131-G230 WeakPolarHBondContact CG-O 3.39Å; L228-G230 PolarHBondContact O-N 2.64Å
231	I	97.3	Very high	97.2	Very high	12 Å²	12	31.9 Å²	31.9	6%	0.062	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-51.4	175.8	-60.3	173	0	0	0	110.1	E129 R131 F140 I142 L228 Q229 F271	E129-I231 HydrophobicContact CB-CG2 4.11Å; E129-I231 HydrophobicContact CG-CG2 4.06Å; R131-I231 WeakPolarHBondContact CA-O 3.47Å; R131-I231 HydrophobicContact CB-CG2 4.21Å; F140-I231 HydrophobicContact CB-CD1 4.09Å; F140-I231 HydrophobicContact CB-CG2 4.48Å; F140-I231 HydrophobicContact CD1-CD1 3.96Å; F140-I231 HydrophobicContact CD2-CD1 4.2Å; F140-I231 HydrophobicContact CD2-CG1 4.2Å; F140-I231 HydrophobicContact CD2-CG2 4.03Å; F140-I231 HydrophobicContact CE1-CD1 4.46Å; F140-I231 HydrophobicContact CE2-CG1 4.39Å; F140-I231 HydrophobicContact CG-CD1 3.82Å; F140-I231 HydrophobicContact CG-CG1 4.32Å; F140-I231 HydrophobicContact CG-CG2 4.43Å; I142-I231 HydrophobicContact CD1-CD1 4.39Å; L228-I231 HydrophobicContact CD2-CD1 4.12Å; L228-I231 WeakPolarHBondContact O-CA 3.4Å; L228-I231 WeakPolarHBondContact O-CB 3.45Å; L228-I231 PolarHBondContact O-N 3.19Å; Q229-I231 PolarHBondContact O-N 3.39Å; I231-F271 HydrophobicContact CD1-CB 4.49Å; I231-F271 HydrophobicContact CD1-CD1 4.04Å; I231-F271 HydrophobicContact CD1-CD2 3.7Å; I231-F271 HydrophobicContact CD1-CE1 4.13Å; I231-F271 HydrophobicContact CD1-CE2 3.8Å; I231-F271 HydrophobicContact CD1-CG 3.81Å; I231-F271 HydrophobicContact CD1-CZ 4Å
232	H	97.6	Very high	97.1	Very high	38 Å²	38	36.1 Å²	36.1	18%	0.176	21%	0.21	C	C	.	.			trans	-156.8	153.3	-179.5	-159.9	-65.7	0	0	0	110.4	M1 E129 A224 L228 R234	M1-H232 PolarHBondContact N-CE1 3.27Å; M1-H232 PolarHBondContact N-NE2 3.49Å; E129-H232 HydrophobicContact CG-CB 3.47Å; E129-H232 VanDerWaalsContact CG-CB 3.47Å; E129-H232 IonicContact OE1-CD2 3.77Å; E129-H232 PolarHBondContact OE1-CD2 3.32Å; E129-H232 IonicContact OE2-CD2 3.4Å; E129-H232 PolarHBondContact OE2-CD2 3.28Å; E129-H232 IonicContact OE2-CG 3.72Å; E129-H232 IonicContact OE2-NE2 2.95Å; A224-H232 WeakPolarHBondContact CB-O 3.21Å; L228-H232 PolarHBondContact O-N 3.1Å; L228-H232 VanDerWaalsContact O-N 3.08Å; H232-R234 PolarHBondContact ND1-N 3.11Å; H232-R234 PolarHBondContact O-N 2.9Å
233	D	97.2	Very high	96.9	Very high	99 Å²	99	40.3 Å²	40.3	53%	0.529	23%	0.23	S	C	.	.	S	Bend	trans	-71.5	-10.6	177.5	69.2	-32.3	0	0	0	114.5	A224	A224-D233 PolarHBondContact N-O 2.83Å
234	R	97.6	Very high	96.9	Very high	5 Å²	5	38.2 Å²	38.2	2%	0.019	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	145.9	-173.8	-61.6	-64.2	-73.9	-171.4	-4.8	111	M1 R100 E102 T221 M222 D223 H232	M1-R234 HydrophobicContact CG-CB 4.05Å; M1-R234 HydrophobicContact CG-CG 4.27Å; R100-R234 VanDerWaalsContact NH2-CZ 3.31Å; E102-R234 IonicContact OE1-CZ 3Å; E102-R234 IonicContact OE1-NH1 3.92Å; E102-R234 PolarHBondContact OE1-NH1 3.21Å; E102-R234 IonicContact OE1-NH2 2.76Å; E102-R234 PolarHBondContact OE1-NH2 2.7Å; E102-R234 VanDerWaalsContact OE1-NH2 3.16Å; E102-R234 IonicContact OE2-CZ 3.68Å; E102-R234 IonicContact OE2-NH1 3.42Å; E102-R234 IonicContact OE2-NH2 2.59Å; E102-R234 PolarHBondContact OE2-NH2 2.96Å; T221-R234 PolarHBondContact O-NH2 2.89Å; M222-R234 VanDerWaalsContact CA-CZ 3.43Å; M222-R234 VanDerWaalsContact O-CA 3.29Å; M222-R234 WeakPolarHBondContact O-CA 3.36Å; M222-R234 WeakPolarHBondContact O-CD 3.22Å; M222-R234 PolarHBondContact O-NE 2.78Å; D223-R234 IonicContact OD1-CZ 2.69Å; D223-R234 IonicContact OD1-NH1 3.67Å; D223-R234 PolarHBondContact OD1-NH1 3.44Å; H232-R234 PolarHBondContact ND1-N 3.11Å; H232-R234 PolarHBondContact O-N 2.9Å
235	M	98	Very high	97	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.02	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	158.2	174.6	71.3	-178.4	-69.4	0	0	111.2	T221 M222 A224 S225 L228 I238 L269	T221-M235 CarbonylContact C-O 3.59Å; T221-M235 VanDerWaalsContact CA-O 3.25Å; T221-M235 WeakPolarHBondContact CA-O 3.36Å; T221-M235 WeakPolarHBondContact CB-O 3.48Å; M222-M235 HydrophobicContact CG-CG 4.12Å; M222-M235 PolarHBondContact N-O 3.48Å; M222-M235 PolarHBondContact O-N 2.92Å; A224-M235 HydrophobicContact CB-CB 4.45Å; S225-M235 PolarHBondContact N-SD 2.88Å; L228-M235 HydrophobicContact CD1-CB 4.41Å; L228-M235 HydrophobicContact CD1-CE 3.8Å; L228-M235 HydrophobicContact CD1-SD 4.12Å; M235-I238 HydrophobicContact CE-CG1 4.09Å; M235-L269 HydrophobicContact CE-CD1 3.69Å; M235-L269 HydrophobicContact CE-CG 4.38Å
236	P	98.4	Very high	97	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	147.9	167.2	25.9	-33.4	0	0	0	111	C2 F127 I198 V219 I220 I238	C2-P236 HydrophobicContact CB-CG 4.38Å; F127-P236 HydrophobicContact CD1-CG 3.8Å; F127-P236 HydrophobicContact CD2-CG 4.36Å; F127-P236 HydrophobicContact CE1-CG 3.56Å; F127-P236 HydrophobicContact CE2-CG 4.16Å; F127-P236 HydrophobicContact CG-CG 4.19Å; F127-P236 VanDerWaalsContact CZ-CD 3.45Å; F127-P236 HydrophobicContact CZ-CG 3.76Å; I198-P236 HydrophobicContact CD1-CB 4.5Å; I198-P236 HydrophobicContact CG1-CB 4.36Å; I198-P236 HydrophobicContact CG2-CB 3.74Å; V219-P236 HydrophobicContact CG1-CB 3.88Å; I220-P236 CarbonylContact O-C 3.54Å; I220-P236 WeakPolarHBondContact O-CA 3.38Å; P236-I238 HydrophobicContact CB-CD1 4.13Å; P236-I238 HydrophobicContact CG-CD1 3.87Å; P236-I238 PolarHBondContact O-N 3.07Å
237	A	98.5	Very high	97	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.008	22%	0.221	C	C	.	.			trans	-71.1	110.6	172.8	0	0	0	0	0	109.8	A199 I220 M222 L263	A199-A237 HydrophobicContact CB-CB 4Å; A199-A237 PolarHBondContact N-O 2.8Å; I220-A237 HydrophobicContact CB-CB 3.95Å; I220-A237 HydrophobicContact CG2-CB 3.93Å; I220-A237 PolarHBondContact O-N 3Å; M222-A237 HydrophobicContact CE-CB 3.38Å; M222-A237 HydrophobicContact SD-CB 4.36Å; A237-L263 HydrophobicContact CB-CD2 3.89Å
238	I	98.5	Very high	97.2	Very high	6 Å²	6	39.6 Å²	39.6	3%	0.031	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-96	131.8	-177.2	-56.5	-50.8	0	0	0	110.9	F144 L196 I198 M235 P236 K266 L269	F144-I238 HydrophobicContact CE1-CG2 3.59Å; F144-I238 HydrophobicContact CE2-CG2 4.36Å; F144-I238 HydrophobicContact CZ-CG2 3.33Å; L196-I238 HydrophobicContact CD1-CD1 3.78Å; L196-I238 HydrophobicContact CD1-CG1 4.33Å; L196-I238 HydrophobicContact CD1-CG2 4.14Å; L196-I238 HydrophobicContact CD2-CD1 4.03Å; L196-I238 HydrophobicContact CG-CD1 3.93Å; I198-I238 HydrophobicContact CG1-CD1 3.83Å; M235-I238 HydrophobicContact CE-CG1 4.09Å; P236-I238 HydrophobicContact CB-CD1 4.13Å; P236-I238 HydrophobicContact CG-CD1 3.87Å; P236-I238 PolarHBondContact O-N 3.07Å; I238-K266 PolarHBondContact O-NZ 3.34Å; I238-L269 HydrophobicContact CG1-CD1 3.98Å; I238-L269 HydrophobicContact CG1-CD2 4.36Å; I238-L269 HydrophobicContact CG2-CD2 4.41Å
239	L	98.6	Very high	97.2	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	21%	0.207	C	C	.	.			trans	-99	105.8	171.3	-60	168.2	0	0	0	107.7	V121 T197 A199 E244 V245 W248 L262	V121-L239 HydrophobicContact CG2-CD1 3.58Å; T197-L239 WeakPolarHBondContact CB-O 3.48Å; T197-L239 PolarHBondContact O-N 2.81Å; T197-L239 PolarHBondContact OG1-O 3.36Å; A199-L239 HydrophobicContact CB-CD1 3.9Å; A199-L239 HydrophobicContact CB-CD2 4.31Å; A199-L239 HydrophobicContact CB-CG 3.98Å; L239-E244 WeakPolarHBondContact CA-OE2 3.22Å; L239-E244 HydrophobicContact CB-CB 4.18Å; L239-E244 HydrophobicContact CD2-CB 4.26Å; L239-V245 HydrophobicContact CB-CG2 3.96Å; L239-W248 HydrophobicContact CD1-CB 3.59Å; L239-W248 HydrophobicContact CD1-CD2 4.29Å; L239-W248 HydrophobicContact CD1-CG 3.52Å; L239-W248 HydrophobicContact CD2-CB 4.12Å; L239-W248 HydrophobicContact CD2-CG 4.34Å; L239-L262 HydrophobicContact CD2-CB 4.23Å
240	D	97.1	Very high	97.2	Very high	48 Å²	48	34.1 Å²	34.1	26%	0.257	18%	0.182	S	C	.	.			trans	-95.6	110	-175.6	-168.9	2.6	0	0	0	110.7	F144 R194 E244 K266 T268	F144-D240 HydrophobicContact CE1-CB 4.32Å; F144-D240 HydrophobicContact CZ-CB 4.4Å; R194-D240 IonicContact CZ-OD1 3.92Å; R194-D240 IonicContact NH1-OD1 3.69Å; R194-D240 IonicContact NH2-OD1 2.8Å; R194-D240 PolarHBondContact NH2-OD1 2.93Å; D240-E244 PolarHBondContact N-OE2 2.92Å; D240-K266 HydrophobicContact CB-CD 4.41Å; D240-T268 VanDerWaalsContact OD2-CB 3.31Å; D240-T268 WeakPolarHBondContact OD2-CB 3.17Å; D240-T268 WeakPolarHBondContact OD2-CG2 3.47Å
241	G	94.9	Very high	97.2	Very high	28 Å²	28	33.9 Å²	33.9	29%	0.289	16%	0.164	S	C	.	.	S	Bend	trans	96	163.7	176.7	0	0	0	0	0	114.3	E243 E244 V245	G241-E243 VanDerWaalsContact C-N 3.29Å; G241-E243 PolarHBondContact O-N 3.45Å; G241-E244 PolarHBondContact O-N 3.08Å; G241-V245 WeakPolarHBondContact O-CG2 3.33Å; G241-V245 PolarHBondContact O-N 2.65Å
242	E	94.5	Very high	96.9	Very high	89 Å²	89	35 Å²	35	42%	0.416	18%	0.18	S	C	.	.	H	α-helix	trans	-60.3	-37	-174.7	-66.4	-175.4	-163.9	0	0	112.4	R27 V245 R246	R27-E242 IonicContact CZ-OE1 2.79Å; R27-E242 IonicContact NH1-OE1 3.37Å; R27-E242 PolarHBondContact NH1-OE1 3Å; R27-E242 IonicContact NH1-OE2 3.83Å; R27-E242 PolarHBondContact NH1-OE2 3.42Å; E242-V245 PolarHBondContact O-N 3.27Å; E242-R246 VanDerWaalsContact O-CB 3.22Å; E242-R246 WeakPolarHBondContact O-CB 3.36Å; E242-R246 PolarHBondContact O-N 2.95Å
243	E	95.2	Very high	96.7	Very high	98 Å²	98	39.5 Å²	39.5	46%	0.458	20%	0.201	S	C	.	.	H	α-helix	trans	-68.7	-41.2	-175.5	178.7	56.6	-164.4	0	0	112.8	G241 R246 R247	G241-E243 VanDerWaalsContact C-N 3.29Å; G241-E243 PolarHBondContact O-N 3.45Å; E243-R246 PolarHBondContact O-N 2.9Å; E243-R246 IonicContact OE1-CZ 2.65Å; E243-R246 IonicContact OE1-NE 2.93Å; E243-R246 IonicContact OE1-NH2 3.27Å; E243-R246 PolarHBondContact OE1-NH2 3.12Å; E243-R246 IonicContact OE2-CZ 3.33Å; E243-R246 IonicContact OE2-NE 3.35Å; E243-R246 PolarHBondContact OE2-NE 2.66Å; E243-R246 IonicContact OE2-NH2 3.82Å; E243-R246 PolarHBondContact OE2-NH2 3.08Å; E243-R247 WeakPolarHBondContact O-CB 3.31Å; E243-R247 VanDerWaalsContact O-CG 3.3Å; E243-R247 WeakPolarHBondContact O-CG 3.21Å; E243-R247 PolarHBondContact O-N 2.81Å; E243-R247 VanDerWaalsContact OE1-CD 3.24Å; E243-R247 WeakPolarHBondContact OE1-CD 3.4Å; E243-R247 WeakPolarHBondContact OE1-CG 3.19Å
244	E	97.6	Very high	96.7	Very high	44 Å²	44	35.6 Å²	35.6	21%	0.206	18%	0.18	C	C	.	.	H	α-helix	trans	-69.3	-40.5	176.5	-66.3	-167.3	157.3	0	0	111.7	L239 D240 G241 W248 K266	L239-E244 WeakPolarHBondContact CA-OE2 3.22Å; L239-E244 HydrophobicContact CB-CB 4.18Å; L239-E244 HydrophobicContact CD2-CB 4.26Å; D240-E244 PolarHBondContact N-OE2 2.92Å; G241-E244 PolarHBondContact O-N 3.08Å; E244-W248 VanDerWaalsContact O-CB 3.24Å; E244-W248 WeakPolarHBondContact O-CB 3.46Å; E244-W248 PolarHBondContact O-N 3.08Å; E244-K266 WeakPolarHBondContact OE1-CE 3.36Å; E244-K266 IonicContact OE1-NZ 3.74Å; E244-K266 PolarHBondContact OE1-NZ 2.93Å; E244-K266 IonicContact OE2-NZ 3.87Å; E244-K266 PolarHBondContact OE2-NZ 3.34Å
245	V	98.1	Very high	96.6	Very high	17 Å²	17	43 Å²	43	10%	0.103	21%	0.212	C	C	.	.	H	α-helix	trans	-58.4	-50.3	173	167.7	0	0	0	0	110.1	L55 V121 T197 L239 G241 E242 W248 L249	L55-V245 HydrophobicContact CD2-CG1 4.19Å; V121-V245 HydrophobicContact CG2-CG1 4.09Å; V121-V245 HydrophobicContact CG2-CG2 4.49Å; T197-V245 HydrophobicContact CG2-CG2 3.99Å; L239-V245 HydrophobicContact CB-CG2 3.96Å; G241-V245 WeakPolarHBondContact O-CG2 3.33Å; G241-V245 PolarHBondContact O-N 2.65Å; E242-V245 PolarHBondContact O-N 3.27Å; V245-W248 PolarHBondContact O-N 3.44Å; V245-L249 HydrophobicContact CG1-CD1 4.04Å; V245-L249 HydrophobicContact CG1-CG 4.5Å; V245-L249 WeakPolarHBondContact O-CG 3.43Å; V245-L249 PolarHBondContact O-N 3.35Å
246	R	96.8	Very high	96.5	Very high	69 Å²	69	43.6 Å²	43.6	26%	0.26	22%	0.217	S	C	.	.	H	α-helix	trans	-58	-52.2	179.1	-173	-169.1	68.5	75.5	-3.6	111.3	E242 E243 W248 L249 D250	E242-R246 VanDerWaalsContact O-CB 3.22Å; E242-R246 WeakPolarHBondContact O-CB 3.36Å; E242-R246 PolarHBondContact O-N 2.95Å; E243-R246 PolarHBondContact O-N 2.9Å; E243-R246 IonicContact OE1-CZ 2.65Å; E243-R246 IonicContact OE1-NE 2.93Å; E243-R246 IonicContact OE1-NH2 3.27Å; E243-R246 PolarHBondContact OE1-NH2 3.12Å; E243-R246 IonicContact OE2-CZ 3.33Å; E243-R246 IonicContact OE2-NE 3.35Å; E243-R246 PolarHBondContact OE2-NE 2.66Å; E243-R246 IonicContact OE2-NH2 3.82Å; E243-R246 PolarHBondContact OE2-NH2 3.08Å; R246-W248 VanDerWaalsContact C-N 3.27Å; R246-W248 PolarHBondContact O-N 3.44Å; R246-L249 PolarHBondContact O-N 3.22Å; R246-L249 VanDerWaalsContact O-N 3.16Å; R246-D250 IonicContact NH1-OD2 2.69Å; R246-D250 WeakPolarHBondContact O-CB 3.49Å; R246-D250 PolarHBondContact O-N 2.94Å
247	R	97.1	Very high	96.4	Very high	93 Å²	93	48.7 Å²	48.7	35%	0.351	24%	0.244	S	C	.	.	H	α-helix	trans	-62.7	-35	179.2	-71.3	-178.5	67.3	179.9	2.4	112.4	R119 E243 V254 L262	R119-R247 PolarHBondContact NH2-O 3.45Å; E243-R247 WeakPolarHBondContact O-CB 3.31Å; E243-R247 VanDerWaalsContact O-CG 3.3Å; E243-R247 WeakPolarHBondContact O-CG 3.21Å; E243-R247 PolarHBondContact O-N 2.81Å; E243-R247 VanDerWaalsContact OE1-CD 3.24Å; E243-R247 WeakPolarHBondContact OE1-CD 3.4Å; E243-R247 WeakPolarHBondContact OE1-CG 3.19Å; R247-V254 HydrophobicContact CB-CG2 4.23Å; R247-V254 HydrophobicContact CG-CG2 4.45Å; R247-V254 WeakPolarHBondContact O-CB 3.49Å; R247-V254 WeakPolarHBondContact O-CG2 3.35Å; R247-L262 HydrophobicContact CB-CD1 3.77Å
248	W	98.4	Very high	96.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67.9	-41.1	174.4	-176.3	-105.1	0	0	0	111.8	R119 C120 A199 L201 I220 L239 E244 V245 R246 A259 L262 L263	R119-W248 HydrophobicContact CB-CD2 4.44Å; R119-W248 HydrophobicContact CB-CZ2 4.13Å; R119-W248 HydrophobicContact CG-CZ2 4.13Å; R119-W248 VanDerWaalsContact CZ-O 3.23Å; R119-W248 PolarHBondContact NE-O 3.13Å; R119-W248 PolarHBondContact NH2-O 3.44Å; C120-W248 PolarHBondContact O-NE1 2.56Å; A199-W248 HydrophobicContact CB-CD2 4.29Å; A199-W248 HydrophobicContact CB-CZ2 4.01Å; L201-W248 HydrophobicContact CD2-CZ2 4.29Å; I220-W248 HydrophobicContact CD1-CH2 3.45Å; I220-W248 VanDerWaalsContact CD1-CH2 3.45Å; I220-W248 HydrophobicContact CD1-CZ2 3.46Å; I220-W248 VanDerWaalsContact CD1-CZ2 3.46Å; L239-W248 HydrophobicContact CD1-CB 3.59Å; L239-W248 HydrophobicContact CD1-CD2 4.29Å; L239-W248 HydrophobicContact CD1-CG 3.52Å; L239-W248 HydrophobicContact CD2-CB 4.12Å; L239-W248 HydrophobicContact CD2-CG 4.34Å; E244-W248 VanDerWaalsContact O-CB 3.24Å; E244-W248 WeakPolarHBondContact O-CB 3.46Å; E244-W248 PolarHBondContact O-N 3.08Å; V245-W248 PolarHBondContact O-N 3.44Å; R246-W248 VanDerWaalsContact C-N 3.27Å; R246-W248 PolarHBondContact O-N 3.44Å; W248-A259 HydrophobicContact CE3-CB 3.91Å; W248-A259 HydrophobicContact CZ3-CB 3.97Å; W248-L262 HydrophobicContact CB-CD1 4.13Å; W248-L262 HydrophobicContact CE3-CD1 4.42Å; W248-L263 HydrophobicContact CE3-CD2 4.33Å; W248-L263 HydrophobicContact CH2-CD1 4.26Å; W248-L263 HydrophobicContact CH2-CD2 4.08Å; W248-L263 HydrophobicContact CZ3-CD1 4.23Å; W248-L263 HydrophobicContact CZ3-CD2 3.82Å; W248-L263 HydrophobicContact CZ3-CG 4.1Å
249	L	98	Very high	96.3	Very high	4 Å²	4	51 Å²	51	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-79.2	-25.5	-178.6	-66	-175.5	0	0	0	114.3	L55 V121 V245 R246 F251	L55-L249 HydrophobicContact CB-CD1 4.21Å; L55-L249 HydrophobicContact CD2-CD1 3.71Å; L55-L249 HydrophobicContact CG-CD1 3.72Å; L55-L249 WeakPolarHBondContact O-CD2 3.32Å; V121-L249 HydrophobicContact CB-CD2 4.49Å; V121-L249 HydrophobicContact CG2-CD1 4.21Å; V121-L249 HydrophobicContact CG2-CD2 3.78Å; V121-L249 HydrophobicContact CG2-CG 3.94Å; V245-L249 HydrophobicContact CG1-CD1 4.04Å; V245-L249 HydrophobicContact CG1-CG 4.5Å; V245-L249 WeakPolarHBondContact O-CG 3.43Å; V245-L249 PolarHBondContact O-N 3.35Å; R246-L249 PolarHBondContact O-N 3.22Å; R246-L249 VanDerWaalsContact O-N 3.16Å; L249-F251 VanDerWaalsContact C-N 3.33Å; L249-F251 PolarHBondContact O-N 3.22Å
250	D	95.4	Very high	96.3	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.016	27%	0.265	C	S	.	.			trans	-77.3	75.9	-176.4	-170.4	-13.8	0	0	0	112.2	R23 V67 R119 R246 G252 E253 V254	R23-D250 IonicContact CZ-OD2 2.88Å; R23-D250 IonicContact NE-OD2 3.66Å; R23-D250 PolarHBondContact NE-OD2 2.69Å; R23-D250 IonicContact NH2-OD1 2.71Å; R23-D250 PolarHBondContact NH2-OD1 2.9Å; R23-D250 IonicContact NH2-OD2 2.69Å; R23-D250 PolarHBondContact NH2-OD2 2.69Å; V67-D250 WeakPolarHBondContact CG1-OD1 3.37Å; R119-D250 PolarHBondContact NH2-O 3.32Å; R119-D250 VanDerWaalsContact NH2-O 3.08Å; R246-D250 IonicContact NH1-OD2 2.69Å; R246-D250 WeakPolarHBondContact O-CB 3.49Å; R246-D250 PolarHBondContact O-N 2.94Å; D250-G252 PolarHBondContact O-N 2.97Å; D250-G252 PolarHBondContact OD1-N 3.16Å; D250-E253 PolarHBondContact OD1-N 2.86Å; D250-E253 VanDerWaalsContact OD1-N 3.12Å; D250-V254 HydrophobicContact CB-CG2 4.19Å; D250-V254 WeakPolarHBondContact O-CA 3.28Å; D250-V254 WeakPolarHBondContact O-CB 3.48Å; D250-V254 PolarHBondContact O-N 3.35Å
251	F	95.9	Very high	96.3	Very high	52 Å²	52	56.6 Å²	56.6	23%	0.228	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-11.2	178.6	75.7	-89.3	0	0	0	113.8	R59 H60 V67 R119 L249	R59-F251 HydrophobicContact CB-CE1 4.13Å; R59-F251 HydrophobicContact CB-CZ 4.03Å; R59-F251 HydrophobicContact CG-CZ 4.14Å; H60-F251 AromaticContact CD2-CE1 3.82Å; H60-F251 AromaticContact CE1-CD1 3.68Å; H60-F251 AromaticContact CE1-CE1 3.47Å; H60-F251 VanDerWaalsContact CE1-CE1 3.47Å; H60-F251 WeakPolarHBondContact CE1-CE1 3.48Å; H60-F251 AromaticContact CE1-CZ 3.82Å; H60-F251 AromaticContact ND1-CE1 4Å; H60-F251 AromaticContact NE2-CD1 3.39Å; H60-F251 WeakPolarHBondContact NE2-CD1 3.39Å; H60-F251 AromaticContact NE2-CE1 3.36Å; H60-F251 WeakPolarHBondContact NE2-CE1 3.22Å; V67-F251 HydrophobicContact CG2-CD1 4.11Å; V67-F251 HydrophobicContact CG2-CE1 4.01Å; V67-F251 HydrophobicContact CG2-CZ 4.41Å; R119-F251 VanDerWaalsContact NH2-CA 3.3Å; L249-F251 VanDerWaalsContact C-N 3.33Å; L249-F251 PolarHBondContact O-N 3.22Å
252	G	92.1	Very high	96.4	Very high	37 Å²	37	55.9 Å²	55.9	38%	0.381	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-42.4	178.7	0	0	0	0	0	112.3	D250	D250-G252 PolarHBondContact O-N 2.97Å; D250-G252 PolarHBondContact OD1-N 3.16Å
253	E	92.6	Very high	96.5	Very high	132 Å²	132	52.8 Å²	52.8	62%	0.617	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-31.4	-179.6	-57.2	-63.3	150.6	0	0	112.9	R23 D250 K255	R23-E253 VanDerWaalsContact CZ-CG 3.49Å; R23-E253 IonicContact NH1-OE1 3.33Å; D250-E253 PolarHBondContact OD1-N 2.86Å; D250-E253 VanDerWaalsContact OD1-N 3.12Å; E253-K255 PolarHBondContact O-N 2.88Å
254	V	96.4	Very high	96.5	Very high	17 Å²	17	53.9 Å²	53.9	10%	0.103	26%	0.261	C	S	.	.	S	Bend	trans	-91.2	101.5	179.2	-169.9	0	0	0	0	109.5	R119 R247 D250 D258 A259	R119-V254 PolarHBondContact NH1-O 2.95Å; R119-V254 PolarHBondContact NH2-O 3.18Å; R247-V254 HydrophobicContact CB-CG2 4.23Å; R247-V254 HydrophobicContact CG-CG2 4.45Å; R247-V254 WeakPolarHBondContact O-CB 3.49Å; R247-V254 WeakPolarHBondContact O-CG2 3.35Å; D250-V254 HydrophobicContact CB-CG2 4.19Å; D250-V254 WeakPolarHBondContact O-CA 3.28Å; D250-V254 WeakPolarHBondContact O-CB 3.48Å; D250-V254 PolarHBondContact O-N 3.35Å; V254-D258 HydrophobicContact CG1-CB 4.11Å; V254-A259 HydrophobicContact CG1-CB 4.04Å
255	K	96.9	Very high	96.3	Very high	159 Å²	159	54.4 Å²	54.4	69%	0.691	27%	0.269	S	S	*	.			trans	-57.6	149.7	174.8	-63.8	-177.6	-177.5	176.4	0	110.8	E253 L257 D258 A259	E253-K255 PolarHBondContact O-N 2.88Å; K255-L257 VanDerWaalsContact C-N 3.29Å; K255-L257 PolarHBondContact O-N 2.71Å; K255-D258 PolarHBondContact O-N 3.17Å; K255-A259 PolarHBondContact O-N 3.38Å
256	S	96.4	Very high	96	Very high	17 Å²	17	55.2 Å²	55.2	12%	0.119	27%	0.271	C	S	.	.	H	α-helix	trans	-55.7	-40.9	-174.2	-50.4	0	0	0	0	113.5	L114 D258 A259 L260	L114-S256 PolarHBondContact O-OG 2.65Å; S256-D258 VanDerWaalsContact C-N 3.33Å; S256-D258 PolarHBondContact O-N 3.24Å; S256-A259 PolarHBondContact O-N 2.93Å; S256-L260 WeakPolarHBondContact O-CG 3.31Å; S256-L260 PolarHBondContact O-N 3.03Å; S256-L260 VanDerWaalsContact O-N 3.08Å
257	L	95.7	Very high	95.9	Very high	108 Å²	108	56.8 Å²	56.8	57%	0.565	29%	0.285	S	S	*	.	H	α-helix	trans	-67	-32.8	178.3	-63	-178.6	0	0	0	113.1	L105 K255 L260	L105-L257 HydrophobicContact CD1-CD2 3.91Å; L105-L257 HydrophobicContact CD2-CD2 4.45Å; K255-L257 VanDerWaalsContact C-N 3.29Å; K255-L257 PolarHBondContact O-N 2.71Å; L257-L260 HydrophobicContact CD2-CD1 4.33Å
258	D	97.4	Very high	95.9	Very high	56 Å²	56	54.2 Å²	54.2	30%	0.299	28%	0.279	S	S	.	.	H	α-helix	trans	-75	-35.9	175.6	-66.4	-47	0	0	0	111.5	V254 K255 S256 L260 K261	V254-D258 HydrophobicContact CG1-CB 4.11Å; K255-D258 PolarHBondContact O-N 3.17Å; S256-D258 VanDerWaalsContact C-N 3.33Å; S256-D258 PolarHBondContact O-N 3.24Å; D258-L260 VanDerWaalsContact C-N 3.3Å; D258-L260 PolarHBondContact O-N 2.93Å; D258-K261 WeakPolarHBondContact O-CB 3.5Å; D258-K261 PolarHBondContact O-N 3.03Å; D258-K261 WeakPolarHBondContact OD1-CE 3.13Å; D258-K261 IonicContact OD1-NZ 3.42Å; D258-K261 PolarHBondContact OD1-NZ 3.03Å
259	A	97.6	Very high	95.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.1	-37.2	173.5	0	0	0	0	0	111.8	W248 V254 K255 S256 K261 L262	W248-A259 HydrophobicContact CE3-CB 3.91Å; W248-A259 HydrophobicContact CZ3-CB 3.97Å; V254-A259 HydrophobicContact CG1-CB 4.04Å; K255-A259 PolarHBondContact O-N 3.38Å; S256-A259 PolarHBondContact O-N 2.93Å; A259-K261 PolarHBondContact O-N 2.75Å; A259-L262 VanDerWaalsContact O-CB 3.31Å; A259-L262 WeakPolarHBondContact O-CB 3.36Å; A259-L262 WeakPolarHBondContact O-CG 3.47Å; A259-L262 PolarHBondContact O-N 3Å; A259-L262 VanDerWaalsContact O-N 3.13Å
260	L	97.7	Very high	95.8	Very high	35 Å²	35	57 Å²	57	18%	0.183	30%	0.296	C	S	.	.	H	α-helix	trans	-61.3	-25.9	176.3	-68.6	179.8	0	0	0	113.1	L104 L105 L114 S256 L257 D258 L262 L263	L104-L260 HydrophobicContact CD1-CD2 3.57Å; L105-L260 HydrophobicContact CD1-CD1 4.08Å; L105-L260 HydrophobicContact CD2-CD1 4.36Å; L105-L260 HydrophobicContact CG-CD1 4.19Å; L114-L260 HydrophobicContact CD1-CD2 4.34Å; L114-L260 HydrophobicContact CD2-CD1 4.15Å; L114-L260 HydrophobicContact CD2-CD2 4.01Å; L114-L260 HydrophobicContact CD2-CG 4.32Å; S256-L260 WeakPolarHBondContact O-CG 3.31Å; S256-L260 PolarHBondContact O-N 3.03Å; S256-L260 VanDerWaalsContact O-N 3.08Å; L257-L260 HydrophobicContact CD2-CD1 4.33Å; D258-L260 VanDerWaalsContact C-N 3.3Å; D258-L260 PolarHBondContact O-N 2.93Å; L260-L262 PolarHBondContact O-N 3.41Å; L260-L263 HydrophobicContact CD2-CD1 3.58Å; L260-L263 VanDerWaalsContact O-CB 3.31Å; L260-L263 WeakPolarHBondContact O-CB 3.39Å; L260-L263 WeakPolarHBondContact O-CG 3.31Å; L260-L263 PolarHBondContact O-N 3.08Å; L260-L263 VanDerWaalsContact O-N 3.09Å
261	K	97.2	Very high	96	Very high	130 Å²	130	60.3 Å²	60.3	57%	0.565	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.6	177.9	-61.3	171.5	-177.6	165.8	0	113	D258 A259 Q264	D258-K261 WeakPolarHBondContact O-CB 3.5Å; D258-K261 PolarHBondContact O-N 3.03Å; D258-K261 WeakPolarHBondContact OD1-CE 3.13Å; D258-K261 IonicContact OD1-NZ 3.42Å; D258-K261 PolarHBondContact OD1-NZ 3.03Å; A259-K261 PolarHBondContact O-N 2.75Å; K261-Q264 PolarHBondContact O-NE2 3.22Å
262	L	97.4	Very high	96.1	Very high	13 Å²	13	59.3 Å²	59.3	7%	0.068	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-20	175.2	-55.9	173.1	0	0	0	112.3	L239 R247 W248 A259 L260 Q264	L239-L262 HydrophobicContact CD2-CB 4.23Å; R247-L262 HydrophobicContact CB-CD1 3.77Å; W248-L262 HydrophobicContact CB-CD1 4.13Å; W248-L262 HydrophobicContact CE3-CD1 4.42Å; A259-L262 VanDerWaalsContact O-CB 3.31Å; A259-L262 WeakPolarHBondContact O-CB 3.36Å; A259-L262 WeakPolarHBondContact O-CG 3.47Å; A259-L262 PolarHBondContact O-N 3Å; A259-L262 VanDerWaalsContact O-N 3.13Å; L260-L262 PolarHBondContact O-N 3.41Å; L262-Q264 VanDerWaalsContact C-N 3.34Å; L262-Q264 PolarHBondContact O-N 2.87Å
263	L	97.3	Very high	96.4	Very high	25 Å²	25	58.7 Å²	58.7	13%	0.131	30%	0.296	C	S	.	.			trans	-79.5	82.8	-175.8	-54.8	179.9	0	0	0	110	L104 A199 I220 M222 A237 W248 L260	L104-L263 HydrophobicContact CD1-CD1 3.97Å; A199-L263 HydrophobicContact CB-CD2 3.79Å; I220-L263 HydrophobicContact CD1-CD1 4.22Å; I220-L263 HydrophobicContact CD1-CD2 4.36Å; I220-L263 HydrophobicContact CG2-CD1 4.12Å; M222-L263 HydrophobicContact CE-CB 3.59Å; A237-L263 HydrophobicContact CB-CD2 3.89Å; W248-L263 HydrophobicContact CE3-CD2 4.33Å; W248-L263 HydrophobicContact CH2-CD1 4.26Å; W248-L263 HydrophobicContact CH2-CD2 4.08Å; W248-L263 HydrophobicContact CZ3-CD1 4.23Å; W248-L263 HydrophobicContact CZ3-CD2 3.82Å; W248-L263 HydrophobicContact CZ3-CG 4.1Å; L260-L263 HydrophobicContact CD2-CD1 3.58Å; L260-L263 VanDerWaalsContact O-CB 3.31Å; L260-L263 WeakPolarHBondContact O-CB 3.39Å; L260-L263 WeakPolarHBondContact O-CG 3.31Å; L260-L263 PolarHBondContact O-N 3.08Å; L260-L263 VanDerWaalsContact O-N 3.09Å
264	Q	94.7	Very high	96.7	Very high	121 Å²	121	52.4 Å²	52.4	57%	0.565	27%	0.267	S	S	*	.			trans	-129.8	144	-179.9	-59.2	-176.3	5.7	0	0	110.8	K261 L262	K261-Q264 PolarHBondContact O-NE2 3.22Å; L262-Q264 VanDerWaalsContact C-N 3.34Å; L262-Q264 PolarHBondContact O-N 2.87Å
265	S	93.1	Very high	96.7	Very high	55 Å²	55	53.8 Å²	53.8	39%	0.385	28%	0.277	S	S	.	.			trans	-71.6	131.1	176	-166.7	0	0	0	0	109.8	M222 D223 S225	M222-S265 PolarHBondContact SD-N 2.95Å; M222-S265 VanDerWaalsContact SD-N 3.45Å; D223-S265 WeakPolarHBondContact O-CB 3.38Å; D223-S265 PolarHBondContact O-OG 3.42Å; S225-S265 WeakPolarHBondContact CA-OG 3.43Å; S225-S265 WeakPolarHBondContact CB-OG 3.38Å; S225-S265 PolarHBondContact N-OG 3.13Å
266	K	92.7	Very high	96.7	Very high	34 Å²	34	50 Å²	50	15%	0.148	27%	0.27	C	S	.	.			trans	-133.1	139.7	-173	-66.3	166.2	-169	150.9	0	110.6	S225 I238 D240 E244 T268	S225-K266 WeakPolarHBondContact CB-O 3.49Å; I238-K266 PolarHBondContact O-NZ 3.34Å; D240-K266 HydrophobicContact CB-CD 4.41Å; E244-K266 WeakPolarHBondContact OE1-CE 3.36Å; E244-K266 IonicContact OE1-NZ 3.74Å; E244-K266 PolarHBondContact OE1-NZ 2.93Å; E244-K266 IonicContact OE2-NZ 3.87Å; E244-K266 PolarHBondContact OE2-NZ 3.34Å; K266-T268 HydrophobicContact CB-CG2 3.82Å; K266-T268 PolarHBondContact O-N 3.14Å
267	N	94.9	Very high	96.8	Very high	102 Å²	102	52.1 Å²	52.1	55%	0.545	28%	0.278	S	S	.	.	S	Bend	trans	-83.8	54	173.1	-72.6	-30.7	0	0	0	111.1	S225 P226 N227	S225-N267 VanDerWaalsContact CB-OD1 3.29Å; S225-N267 WeakPolarHBondContact CB-OD1 3.16Å; P226-N267 VanDerWaalsContact CD-OD1 3.3Å; P226-N267 WeakPolarHBondContact CD-OD1 3.38Å; N227-N267 PolarHBondContact OD1-OD1 2.9Å; N227-N267 VanDerWaalsContact OD1-OD1 3.08Å
268	T	95.4	Very high	96.9	Very high	38 Å²	38	47 Å²	47	23%	0.233	25%	0.251	C	S	.	.			trans	-109.7	-0.4	-174.3	55.6	0	0	0	0	113	P145 D240 K266	P145-T268 WeakPolarHBondContact CD-O 3.48Å; D240-T268 VanDerWaalsContact OD2-CB 3.31Å; D240-T268 WeakPolarHBondContact OD2-CB 3.17Å; D240-T268 WeakPolarHBondContact OD2-CG2 3.47Å; K266-T268 HydrophobicContact CB-CG2 3.82Å; K266-T268 PolarHBondContact O-N 3.14Å
269	L	97.7	Very high	96.9	Very high	8 Å²	8	47.7 Å²	47.7	4%	0.042	26%	0.255	C	S	.	.			trans	-106.1	148	-177.8	-53.8	-170.8	0	0	0	111.8	F127 I142 Y143 F144 L196 N227 L228 M235 I238	F127-L269 HydrophobicContact CE1-CD1 3.8Å; F127-L269 HydrophobicContact CZ-CD1 4.39Å; I142-L269 HydrophobicContact CG2-CB 3.95Å; I142-L269 HydrophobicContact CG2-CD1 3.75Å; Y143-L269 WeakPolarHBondContact O-CA 3.17Å; F144-L269 HydrophobicContact CD1-CD2 3.57Å; F144-L269 HydrophobicContact CE1-CD2 3.79Å; F144-L269 HydrophobicContact CG-CD2 4.29Å; L196-L269 HydrophobicContact CD1-CD2 3.59Å; N227-L269 PolarHBondContact ND2-O 2.84Å; L228-L269 HydrophobicContact CD1-CB 4.44Å; L228-L269 HydrophobicContact CD1-CD1 4.04Å; M235-L269 HydrophobicContact CE-CD1 3.69Å; M235-L269 HydrophobicContact CE-CG 4.38Å; I238-L269 HydrophobicContact CG1-CD1 3.98Å; I238-L269 HydrophobicContact CG1-CD2 4.36Å; I238-L269 HydrophobicContact CG2-CD2 4.41Å
270	T	98.1	Very high	96.9	Very high	55 Å²	55	51.1 Å²	51.1	34%	0.337	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	169.2	167.3	-169.3	0	0	0	0	109.9	I142 Y143 P145	I142-T270 WeakPolarHBondContact CA-O 3.31Å; Y143-T270 HydrophobicContact CD2-CG2 4.07Å; Y143-T270 HydrophobicContact CE1-CG2 4.27Å; Y143-T270 HydrophobicContact CE2-CG2 3.65Å; Y143-T270 PolarHBondContact N-O 3.03Å; Y143-T270 PolarHBondContact O-N 2.59Å; Y143-T270 VanDerWaalsContact O-O 3.13Å; P145-T270 HydrophobicContact CB-CG2 4.5Å; P145-T270 HydrophobicContact CG-CG2 4.19Å
271	F	98.3	Very high	96.9	Very high	72 Å²	72	51.9 Å²	51.9	32%	0.316	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	160.3	-177.7	57.7	-96.3	0	0	0	112.7	F140 F141 I142 N227 L228 I231	F140-F271 AromaticContact CD1-CD2 3.72Å; F140-F271 HydrophobicContact CD1-CD2 3.72Å; F140-F271 HydrophobicContact CD1-CE2 4.33Å; F140-F271 HydrophobicContact CE1-CD2 4.08Å; F140-F271 HydrophobicContact CE1-CE2 4.28Å; F141-F271 WeakPolarHBondContact O-CA 3.29Å; F141-F271 VanDerWaalsContact O-CB 3.32Å; F141-F271 WeakPolarHBondContact O-CB 3.4Å; I142-F271 HydrophobicContact CB-CB 4.27Å; I142-F271 HydrophobicContact CG1-CB 3.74Å; I142-F271 HydrophobicContact CG2-CB 4.43Å; N227-F271 VanDerWaalsContact O-CE1 3.32Å; N227-F271 WeakPolarHBondContact O-CE1 3.49Å; L228-F271 HydrophobicContact CD2-CD1 3.41Å; L228-F271 VanDerWaalsContact CD2-CD1 3.41Å; L228-F271 HydrophobicContact CD2-CE1 3.73Å; L228-F271 HydrophobicContact CD2-CG 4.33Å; I231-F271 HydrophobicContact CD1-CB 4.49Å; I231-F271 HydrophobicContact CD1-CD1 4.04Å; I231-F271 HydrophobicContact CD1-CD2 3.7Å; I231-F271 HydrophobicContact CD1-CE1 4.13Å; I231-F271 HydrophobicContact CD1-CE2 3.8Å; I231-F271 HydrophobicContact CD1-CG 3.81Å; I231-F271 HydrophobicContact CD1-CZ 4Å
272	H	98.4	Very high	96.9	Very high	31 Å²	31	55.6 Å²	55.6	14%	0.144	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	151.7	167.2	55.8	-104.1	0	0	0	110.4	F140 F141 Y143 L289 P291	F140-H272 WeakPolarHBondContact CA-O 3.28Å; F141-H272 AromaticContact CD1-CE1 3.9Å; F141-H272 AromaticContact CD1-NE2 3.99Å; F141-H272 PolarHBondContact N-O 2.69Å; F141-H272 PolarHBondContact O-N 3.44Å; F141-H272 VanDerWaalsContact O-N 3.1Å; Y143-H272 AromaticContact CE1-CE1 3.41Å; Y143-H272 VanDerWaalsContact CE1-CE1 3.41Å; Y143-H272 WeakPolarHBondContact CE1-CE1 2.82Å; Y143-H272 AromaticContact CE1-ND1 3.33Å; Y143-H272 VanDerWaalsContact CE1-ND1 3.33Å; Y143-H272 WeakPolarHBondContact CE1-ND1 3.01Å; Y143-H272 AromaticContact CZ-CE1 3.77Å; Y143-H272 AromaticContact CZ-ND1 3.58Å; Y143-H272 PolarHBondContact OH-ND1 3.26Å; H272-L289 PolarHBondContact NE2-O 2.82Å; H272-L289 VanDerWaalsContact NE2-O 3.09Å; H272-P291 HydrophobicContact CB-CB 4.37Å
273	P	98.3	Very high	96.9	Very high	25 Å²	25	56.8 Å²	56.8	16%	0.162	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	144.8	173.8	29	-34.4	0	0	0	110.4	Q138 F140 P291 V292 L294	Q138-P273 HydrophobicContact CG-CB 4.32Å; F140-P273 HydrophobicContact CD1-CB 4.09Å; F140-P273 HydrophobicContact CE1-CB 3.78Å; F140-P273 HydrophobicContact CE1-CG 4.29Å; F140-P273 HydrophobicContact CZ-CB 4.17Å; P273-P291 WeakPolarHBondContact O-CA 3.45Å; P273-V292 HydrophobicContact CB-CG2 3.99Å; P273-V292 HydrophobicContact CG-CG2 4.32Å; P273-V292 WeakPolarHBondContact CG-O 3.46Å; P273-V292 PolarHBondContact O-N 3.36Å; P273-L294 HydrophobicContact CB-CD1 3.95Å; P273-L294 HydrophobicContact CB-CD2 3.86Å; P273-L294 HydrophobicContact CB-CG 3.94Å; P273-L294 HydrophobicContact CG-CD1 3.96Å; P273-L294 HydrophobicContact CG-CD2 4.23Å; P273-L294 HydrophobicContact CG-CG 3.82Å
274	V	98.5	Very high	97	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-123.2	172.2	176.4	-61.7	0	0	0	0	111.3	Y128 Q138 P139 F141 V278 V292	Y128-V274 HydrophobicContact CD1-CG2 4.21Å; Y128-V274 HydrophobicContact CE1-CG2 4.33Å; Q138-V274 PolarHBondContact NE2-O 3.23Å; P139-V274 HydrophobicContact CB-CG2 3.75Å; P139-V274 HydrophobicContact CG-CG2 3.94Å; P139-V274 WeakPolarHBondContact CG-O 3.45Å; P139-V274 PolarHBondContact O-N 3.15Å; F141-V274 HydrophobicContact CB-CG1 3.74Å; V274-V278 HydrophobicContact CG2-CG1 4.07Å; V274-V292 WeakPolarHBondContact O-CG2 3.43Å
275	S	97.3	Very high	97.1	Very high	45 Å²	45	55 Å²	55	32%	0.315	30%	0.295	S	S	.	.			trans	-67.1	150.6	177.6	175.9	0	0	0	0	112.4	P139 F277 V278	P139-S275 WeakPolarHBondContact CG-O 3.11Å; S275-F277 PolarHBondContact O-N 2.75Å; S275-F277 WeakPolarHBondContact OG-CB 3.46Å; S275-F277 PolarHBondContact OG-N 2.91Å; S275-F277 VanDerWaalsContact OG-N 3.12Å; S275-V278 WeakPolarHBondContact O-CG1 3.38Å; S275-V278 PolarHBondContact O-N 2.99Å
276	S	96.8	Very high	97.4	Very high	79 Å²	79	55.3 Å²	55.3	55%	0.552	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-61.3	-10.2	168.6	63.4	0	0	0	0	113.1	V278 N279	S276-V278 PolarHBondContact O-N 3.23Å; S276-V278 VanDerWaalsContact O-N 3.16Å; S276-N279 WeakPolarHBondContact O-CB 3.44Å; S276-N279 PolarHBondContact O-N 3.48Å; S276-N279 PolarHBondContact O-ND2 3.44Å
277	F	97.8	Very high	97.6	Very high	63 Å²	63	58.3 Å²	58.3	28%	0.276	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-49.1	-36.3	170	-175.6	-104.7	0	0	0	112.7	S275 N279 N283 S285 E287	S275-F277 PolarHBondContact O-N 2.75Å; S275-F277 WeakPolarHBondContact OG-CB 3.46Å; S275-F277 PolarHBondContact OG-N 2.91Å; S275-F277 VanDerWaalsContact OG-N 3.12Å; F277-N279 PolarHBondContact O-N 2.86Å; F277-N283 HydrophobicContact CD1-CB 4.05Å; F277-N283 WeakPolarHBondContact CD2-ND2 3.49Å; F277-N283 HydrophobicContact CE1-CB 3.57Å; F277-N283 HydrophobicContact CE2-CB 4.11Å; F277-N283 VanDerWaalsContact CE2-ND2 3.34Å; F277-N283 WeakPolarHBondContact CE2-ND2 3.21Å; F277-N283 HydrophobicContact CZ-CB 3.61Å; F277-N283 PolarHBondContact O-ND2 3.32Å; F277-S285 VanDerWaalsContact CE1-OG 3.23Å; F277-S285 WeakPolarHBondContact CE1-OG 3.47Å; F277-E287 HydrophobicContact CD1-CB 3.91Å; F277-E287 HydrophobicContact CE1-CB 4.02Å; F277-E287 WeakPolarHBondContact CZ-OE2 3.42Å
278	V	98.1	Very high	97.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-65.3	-20.6	177.8	73.5	0	0	0	0	113	R4 N45 Y128 W130 P139 V274 S275 S276 N280 C288	R4-V278 PolarHBondContact NH1-O 3.34Å; N45-V278 PolarHBondContact ND2-O 3.1Å; Y128-V278 HydrophobicContact CD1-CG1 4.46Å; Y128-V278 HydrophobicContact CD1-CG2 3.93Å; Y128-V278 HydrophobicContact CD2-CG2 4.13Å; Y128-V278 HydrophobicContact CE1-CB 4.47Å; Y128-V278 HydrophobicContact CE1-CG2 3.72Å; Y128-V278 HydrophobicContact CE2-CG2 3.91Å; Y128-V278 HydrophobicContact CG-CG2 4.11Å; W130-V278 HydrophobicContact CZ2-CG1 4.02Å; P139-V278 HydrophobicContact CB-CG1 3.67Å; P139-V278 HydrophobicContact CG-CG1 3.92Å; V274-V278 HydrophobicContact CG2-CG1 4.07Å; S275-V278 WeakPolarHBondContact O-CG1 3.38Å; S275-V278 PolarHBondContact O-N 2.99Å; S276-V278 PolarHBondContact O-N 3.23Å; S276-V278 VanDerWaalsContact O-N 3.16Å; V278-N280 VanDerWaalsContact C-N 3.27Å; V278-N280 PolarHBondContact O-N 3.42Å; V278-C288 HydrophobicContact CB-CB 4.29Å; V278-C288 HydrophobicContact CG2-CB 4.09Å
279	N	97.6	Very high	97.9	Very high	71 Å²	71	53.1 Å²	53.1	38%	0.38	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-55.7	-41.5	-173.9	-68.2	-8.6	0	0	0	112.6	R4 W130 S276 F277 S281	R4-N279 PolarHBondContact NH2-O 2.71Å; W130-N279 PolarHBondContact NE1-OD1 3.46Å; S276-N279 WeakPolarHBondContact O-CB 3.44Å; S276-N279 PolarHBondContact O-N 3.48Å; S276-N279 PolarHBondContact O-ND2 3.44Å; F277-N279 PolarHBondContact O-N 2.86Å; N279-S281 PolarHBondContact O-N 2.97Å
280	N	97.9	Very high	97.8	Very high	71 Å²	71	57.8 Å²	57.8	38%	0.38	30%	0.302	S	S	.	.	S	Bend	trans	-79.5	114.2	174.4	-177.1	-2.2	0	0	0	110	N45 V278 R282 N283	N45-N280 PolarHBondContact ND2-O 3.36Å; N45-N280 VanDerWaalsContact ND2-O 3.16Å; V278-N280 VanDerWaalsContact C-N 3.27Å; V278-N280 PolarHBondContact O-N 3.42Å; N280-R282 PolarHBondContact O-N 3.35Å; N280-R282 VanDerWaalsContact O-N 3.08Å; N280-R282 WeakPolarHBondContact OD1-CB 3.3Å; N280-R282 PolarHBondContact OD1-N 2.98Å; N280-R282 VanDerWaalsContact OD1-N 3.13Å; N280-N283 VanDerWaalsContact O-CB 3.28Å; N280-N283 WeakPolarHBondContact O-CB 3.39Å; N280-N283 PolarHBondContact O-N 3.46Å
281	S	96.7	Very high	97.8	Very high	52 Å²	52	59.4 Å²	59.4	36%	0.364	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-16	-178.4	56	0	0	0	0	114.5	N279 N283	N279-S281 PolarHBondContact O-N 2.97Å; S281-N283 VanDerWaalsContact C-N 3.27Å
282	R	97.4	Very high	97.7	Very high	207 Å²	207	58.4 Å²	58.4	78%	0.781	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-18.2	174.1	-61.5	-176.2	-180	86.1	-2.6	112.8	N280 N284	N280-R282 PolarHBondContact O-N 3.35Å; N280-R282 VanDerWaalsContact O-N 3.08Å; N280-R282 WeakPolarHBondContact OD1-CB 3.3Å; N280-R282 PolarHBondContact OD1-N 2.98Å; N280-R282 VanDerWaalsContact OD1-N 3.13Å; R282-N284 PolarHBondContact O-N 3.19Å
283	N	98.4	Very high	97.5	Very high	39 Å²	39	62 Å²	62	21%	0.209	33%	0.333	C	S	.	.			trans	-75.9	110.1	177.9	-68.9	-5.2	0	0	0	108.8	N45 F277 N280 S281 C288	N45-N283 WeakPolarHBondContact CB-O 3.46Å; N45-N283 PolarHBondContact ND2-O 3.18Å; F277-N283 HydrophobicContact CD1-CB 4.05Å; F277-N283 WeakPolarHBondContact CD2-ND2 3.49Å; F277-N283 HydrophobicContact CE1-CB 3.57Å; F277-N283 HydrophobicContact CE2-CB 4.11Å; F277-N283 VanDerWaalsContact CE2-ND2 3.34Å; F277-N283 WeakPolarHBondContact CE2-ND2 3.21Å; F277-N283 HydrophobicContact CZ-CB 3.61Å; F277-N283 PolarHBondContact O-ND2 3.32Å; N280-N283 VanDerWaalsContact O-CB 3.28Å; N280-N283 WeakPolarHBondContact O-CB 3.39Å; N280-N283 PolarHBondContact O-N 3.46Å; S281-N283 VanDerWaalsContact C-N 3.27Å; N283-C288 PolarHBondContact O-SG 2.77Å; N283-C288 VanDerWaalsContact O-SG 3.36Å
284	N	98.3	Very high	97	Very high	84 Å²	84	65 Å²	65	45%	0.449	35%	0.348	S	S	.	.			trans	-127.3	79.7	-176.9	-176.7	28	0	0	0	110	S43 Y44 R282	S43-N284 VanDerWaalsContact CA-OD1 3.27Å; S43-N284 WeakPolarHBondContact CA-OD1 3.06Å; S43-N284 WeakPolarHBondContact CB-OD1 3.11Å; S43-N284 PolarHBondContact OG-OD1 3.48Å; S43-N284 VanDerWaalsContact OG-OD1 3.12Å; Y44-N284 PolarHBondContact N-OD1 3.09Å; R282-N284 PolarHBondContact O-N 3.19Å
285	S	98.3	Very high	96.1	Very high	25 Å²	25	73.5 Å²	73.5	18%	0.175	39%	0.387	C	S	.	.	S	Bend	trans	-146.8	165	179.5	80.4	0	0	0	0	111	Y44 F277 E287 C288	Y44-S285 VanDerWaalsContact CB-O 3.31Å; Y44-S285 WeakPolarHBondContact CB-O 3.42Å; Y44-S285 VanDerWaalsContact CD2-C 3.48Å; Y44-S285 VanDerWaalsContact CG-C 3.45Å; F277-S285 VanDerWaalsContact CE1-OG 3.23Å; F277-S285 WeakPolarHBondContact CE1-OG 3.47Å; S285-E287 PolarHBondContact O-N 3.03Å; S285-E287 VanDerWaalsContact O-N 3.08Å; S285-E287 WeakPolarHBondContact OG-CB 3.3Å; S285-E287 PolarHBondContact OG-N 2.86Å; S285-C288 WeakPolarHBondContact O-CB 3.19Å; S285-C288 PolarHBondContact O-N 3.09Å; S285-C288 VanDerWaalsContact O-N 3.1Å; S285-C288 PolarHBondContact O-SG 3.02Å
286	P	98.2	Very high	94.8	Very high	60 Å²	60	74.3 Å²	74.3	39%	0.39	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-53.8	-26.3	174.7	-26	33.6	0	0	0	114.6	Y44 C288 L289 Q290	Y44-P286 HydrophobicContact CE1-CB 4.13Å; Y44-P286 HydrophobicContact CE1-CG 4.12Å; Y44-P286 HydrophobicContact CE2-CG 4.17Å; P286-C288 PolarHBondContact O-N 2.97Å; P286-C288 VanDerWaalsContact O-N 3.16Å; P286-L289 PolarHBondContact O-N 3.42Å; P286-Q290 PolarHBondContact O-N 2.83Å
287	E	97.4	Very high	92.7	Very high	97 Å²	97	80 Å²	80	45%	0.453	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-60.5	-24.4	179.1	-61.7	166.3	177.6	0	0	112.6	F277 S285 L289 Q290	F277-E287 HydrophobicContact CD1-CB 3.91Å; F277-E287 HydrophobicContact CE1-CB 4.02Å; F277-E287 WeakPolarHBondContact CZ-OE2 3.42Å; S285-E287 PolarHBondContact O-N 3.03Å; S285-E287 VanDerWaalsContact O-N 3.08Å; S285-E287 WeakPolarHBondContact OG-CB 3.3Å; S285-E287 PolarHBondContact OG-N 2.86Å; E287-L289 PolarHBondContact O-N 3.12Å; E287-Q290 PolarHBondContact O-N 3.44Å
288	C	98.4	Very high	90.6	Very high	0 Å²	0	85.7 Å²	85.7	0%	0	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-61.5	-29.9	174.5	-64.2	0	0	0	0	112.7	Y128 V278 N283 S285 P286	Y128-C288 WeakPolarHBondContact CE1-O 3.5Å; Y128-C288 WeakPolarHBondContact OH-CB 3.32Å; V278-C288 HydrophobicContact CB-CB 4.29Å; V278-C288 HydrophobicContact CG2-CB 4.09Å; N283-C288 PolarHBondContact O-SG 2.77Å; N283-C288 VanDerWaalsContact O-SG 3.36Å; S285-C288 WeakPolarHBondContact O-CB 3.19Å; S285-C288 PolarHBondContact O-N 3.09Å; S285-C288 VanDerWaalsContact O-N 3.1Å; S285-C288 PolarHBondContact O-SG 3.02Å; P286-C288 PolarHBondContact O-N 2.97Å; P286-C288 VanDerWaalsContact O-N 3.16Å
289	L	97.4	Very high	88.3	Confident	31 Å²	31	91.6 Å²	91.6	16%	0.162	48%	0.477	C	S	.	.	G	3₁₀ helix	trans	-100.4	-7	-177.3	-63.5	179.2	0	0	0	113.2	A6 T8 Y44 Y128 F141 H272 P286 E287 P291	A6-L289 HydrophobicContact CB-CD1 4.36Å; A6-L289 HydrophobicContact CB-CD2 3.81Å; A6-L289 HydrophobicContact CB-CG 4.5Å; T8-L289 HydrophobicContact CG2-CD1 4.35Å; Y44-L289 HydrophobicContact CD1-CD1 3.52Å; Y44-L289 HydrophobicContact CD1-CG 3.95Å; Y44-L289 HydrophobicContact CE1-CD1 3.91Å; Y128-L289 HydrophobicContact CE1-CD2 3.97Å; Y128-L289 WeakPolarHBondContact OH-CD2 3.26Å; F141-L289 HydrophobicContact CD1-CD2 3.82Å; F141-L289 HydrophobicContact CD2-CD2 3.46Å; F141-L289 VanDerWaalsContact CD2-CD2 3.46Å; F141-L289 HydrophobicContact CE1-CD2 3.73Å; F141-L289 HydrophobicContact CE2-CD2 3.35Å; F141-L289 HydrophobicContact CG-CD2 3.69Å; F141-L289 HydrophobicContact CZ-CD2 3.49Å; F141-L289 VanDerWaalsContact CZ-CD2 3.49Å; H272-L289 PolarHBondContact NE2-O 2.82Å; H272-L289 VanDerWaalsContact NE2-O 3.09Å; P286-L289 PolarHBondContact O-N 3.42Å; E287-L289 PolarHBondContact O-N 3.12Å; L289-P291 WeakPolarHBondContact O-CD 3.42Å
290	Q	96	Very high	85.7	Confident	107 Å²	107	97.5 Å²	97.5	50%	0.5	50%	0.5	S	S	.	.			trans	-70.4	127.7	-174	-78.2	-179.8	-14	0	0	110.7	P286 E287 V292	P286-Q290 PolarHBondContact O-N 2.83Å; E287-Q290 PolarHBondContact O-N 3.44Å; Q290-V292 PolarHBondContact O-N 3.28Å
291	P	97.7	Very high	83.3	Confident	89 Å²	89	97.9 Å²	97.9	58%	0.578	51%	0.506	S	S	*	.	B	Isolated β-bridge	trans	-59.3	139	173.3	-20.4	30.3	0	0	0	110.9	H272 P273 L289	H272-P291 HydrophobicContact CB-CB 4.37Å; P273-P291 WeakPolarHBondContact O-CA 3.45Å; L289-P291 WeakPolarHBondContact O-CD 3.42Å
292	V	96.5	Very high	81.6	Confident	50 Å²	50	98.3 Å²	98.3	30%	0.303	51%	0.509	S	S	.	.			trans	-111.4	145.7	171.1	-61.4	0	0	0	0	110.5	P273 V274 Q290 L294	P273-V292 HydrophobicContact CB-CG2 3.99Å; P273-V292 HydrophobicContact CG-CG2 4.32Å; P273-V292 WeakPolarHBondContact CG-O 3.46Å; P273-V292 PolarHBondContact O-N 3.36Å; V274-V292 WeakPolarHBondContact O-CG2 3.43Å; Q290-V292 PolarHBondContact O-N 3.28Å; V292-L294 HydrophobicContact CG2-CD2 4.09Å
293	D	93.6	Very high	79.7	Confident	107 Å²	107	92 Å²	92	57%	0.572	50%	0.501	S	S	*	.			trans	-84.5	116	168.7	-177.8	3.8	0	0	0	109.3	Q295 A296	D293-Q295 PolarHBondContact O-N 2.61Å; D293-Q295 WeakPolarHBondContact OD1-CB 3.18Å; D293-Q295 PolarHBondContact OD1-N 3.38Å; D293-A296 HydrophobicContact CB-CB 3.83Å; D293-A296 PolarHBondContact O-N 3.21Å
294	L	88	Confident	77.9	Confident	88 Å²	88	94 Å²	94	46%	0.461	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-14.7	178.3	-60.9	-179.5	0	0	0	113	Q138 P273 V292	Q138-L294 VanDerWaalsContact CD-CD2 3.49Å; Q138-L294 HydrophobicContact CG-CD1 4.48Å; Q138-L294 HydrophobicContact CG-CD2 4.16Å; P273-L294 HydrophobicContact CB-CD1 3.95Å; P273-L294 HydrophobicContact CB-CD2 3.86Å; P273-L294 HydrophobicContact CB-CG 3.94Å; P273-L294 HydrophobicContact CG-CD1 3.96Å; P273-L294 HydrophobicContact CG-CD2 4.23Å; P273-L294 HydrophobicContact CG-CG 3.82Å; V292-L294 HydrophobicContact CG2-CD2 4.09Å
295	Q	80.6	Confident	76.2	Confident	178 Å²	178	92.4 Å²	92.4	83%	0.832	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-13.8	179.4	-57.1	-174.3	7.3	0	0	112.6	D293 K297	D293-Q295 PolarHBondContact O-N 2.61Å; D293-Q295 WeakPolarHBondContact OD1-CB 3.18Å; D293-Q295 PolarHBondContact OD1-N 3.38Å; Q295-K297 PolarHBondContact O-N 3.21Å
296	A	69.9	Low	74.6	Confident	63 Å²	63	97.8 Å²	97.8	52%	0.521	53%	0.534	S	S	.	.	S	Bend	trans	-67.3	117	175.8	0	0	0	0	0	109.9	D293 E298	D293-A296 HydrophobicContact CB-CB 3.83Å; D293-A296 PolarHBondContact O-N 3.21Å; A296-E298 PolarHBondContact O-N 3.19Å
297	K	52	Low	73	Confident	198 Å²	198	101.9 Å²	101.9	86%	0.861	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-63.7	133.2	170.6	-71.7	177.6	179.3	172.1	0	108.7	Q295	Q295-K297 PolarHBondContact O-N 3.21Å
298	E	54.2	Low	71.3	Confident	183 Å²	183	103.3 Å²	103.3	86%	0.855	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-50.5	130.9	169.9	-74.5	-170.5	162.8	0	0	109.6	A296 K300	A296-E298 PolarHBondContact O-N 3.19Å; E298-K300 PolarHBondContact O-N 3.06Å
299	P	49.3	Very low	69.7	Low	123 Å²	123	109.1 Å²	109.1	80%	0.799	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-60.5	119.2	174.5	22.9	-29.6	0	0	0	107.9
300	K	44.6	Very low	68	Low	196 Å²	196	109.7 Å²	109.7	85%	0.852	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-51.6	132.1	174.3	-74.1	179.2	178.5	175.6	0	108	E298 S302	E298-K300 PolarHBondContact O-N 3.06Å; K300-S302 PolarHBondContact O-N 3.38Å; K300-S302 VanDerWaalsContact O-N 3.09Å
301	P	47.5	Very low	66.3	Low	79 Å²	79	113.4 Å²	113.4	51%	0.513	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-56.4	123	-179.7	20	-30.6	0	0	0	109.2	K306	P301-K306 HydrophobicContact CB-CG 4.39Å
302	S	59.6	Low	64.5	Low	61 Å²	61	114.2 Å²	114.2	43%	0.427	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-59.3	155.2	175.5	67.8	0	0	0	0	109.9	K300 S304 S305 K306	K300-S302 PolarHBondContact O-N 3.38Å; K300-S302 VanDerWaalsContact O-N 3.09Å; S302-S304 PolarHBondContact O-N 3.35Å; S302-S304 VanDerWaalsContact O-N 3.12Å; S302-S304 PolarHBondContact OG-OG 3.48Å; S302-S305 PolarHBondContact O-N 3.31Å; S302-S305 PolarHBondContact OG-N 2.99Å; S302-K306 PolarHBondContact O-N 2.84Å
303	A	58.5	Low	62.5	Low	74 Å²	74	119.9 Å²	119.9	61%	0.612	63%	0.629	S	S	*	*	H	α-helix	trans	-53.3	-33.9	174.9	0	0	0	0	0	112	K306 M307	A303-K306 PolarHBondContact O-N 3.15Å; A303-M307 WeakPolarHBondContact O-CG 3.47Å; A303-M307 PolarHBondContact O-N 2.92Å
304	S	59.5	Low	60.3	Low	81 Å²	81	119.2 Å²	119.2	57%	0.566	63%	0.632	S	S	*	*	H	α-helix	trans	-67.4	-37.1	176	53.7	0	0	0	0	113.8	S302 M307 M308	S302-S304 PolarHBondContact O-N 3.35Å; S302-S304 VanDerWaalsContact O-N 3.12Å; S302-S304 PolarHBondContact OG-OG 3.48Å; S304-M307 PolarHBondContact O-N 2.96Å; S304-M308 PolarHBondContact O-N 2.76Å
305	S	62.3	Low	58.1	Low	51 Å²	51	119.2 Å²	119.2	36%	0.357	64%	0.64	S	S	.	*	H	α-helix	trans	-68.6	-36.1	176	-174.3	0	0	0	0	111.9	S302 M309	S302-S305 PolarHBondContact O-N 3.31Å; S302-S305 PolarHBondContact OG-N 2.99Å; S305-M309 WeakPolarHBondContact O-CG 3.4Å; S305-M309 PolarHBondContact O-N 3.43Å; S305-M309 VanDerWaalsContact O-N 3.16Å
306	K	65.3	Low	56.3	Low	138 Å²	138	115 Å²	115	60%	0.6	63%	0.626	S	S	*	*	H	α-helix	trans	-67.4	-38.8	172.7	-68.1	-179.5	-176.3	175.4	0	112.5	P301 S302 A303 M309 G310	P301-K306 HydrophobicContact CB-CG 4.39Å; S302-K306 PolarHBondContact O-N 2.84Å; A303-K306 PolarHBondContact O-N 3.15Å; K306-M309 PolarHBondContact O-N 2.92Å; K306-G310 PolarHBondContact O-N 3.38Å
307	M	65.5	Low	54.8	Low	146 Å²	146	120.5 Å²	120.5	72%	0.719	64%	0.641	S	S	*	*	H	α-helix	trans	-66.7	-42.7	177	-75.9	-172.5	175.8	0	0	112.2	A303 S304 M309 G310 W311	A303-M307 WeakPolarHBondContact O-CG 3.47Å; A303-M307 PolarHBondContact O-N 2.92Å; S304-M307 PolarHBondContact O-N 2.96Å; M307-M309 PolarHBondContact O-N 3.09Å; M307-G310 PolarHBondContact O-N 3.25Å; M307-W311 PolarHBondContact O-N 3.03Å
308	M	62	Low	54.4	Low	127 Å²	127	116.6 Å²	116.6	63%	0.626	64%	0.636	S	S	*	*	H	α-helix	trans	-61.6	-42.1	174.8	-95.1	-139.5	-73.3	0	0	112.5	S304 G310 W311 L312	S304-M308 PolarHBondContact O-N 2.76Å; M308-G310 VanDerWaalsContact C-N 3.3Å; M308-G310 PolarHBondContact O-N 3.35Å; M308-W311 PolarHBondContact O-N 3.27Å; M308-L312 WeakPolarHBondContact O-CD1 3.4Å; M308-L312 PolarHBondContact O-N 3.38Å
309	M	64	Low	53.6	Low	122 Å²	122	117.8 Å²	117.8	60%	0.601	64%	0.638	S	S	*	*	H	α-helix	trans	-66	-30.5	175.6	-75.1	-74.2	-169.3	0	0	113.1	S305 K306 M307 K313	S305-M309 WeakPolarHBondContact O-CG 3.4Å; S305-M309 PolarHBondContact O-N 3.43Å; S305-M309 VanDerWaalsContact O-N 3.16Å; K306-M309 PolarHBondContact O-N 2.92Å; M307-M309 PolarHBondContact O-N 3.09Å; M309-K313 WeakPolarHBondContact O-CG 3.31Å; M309-K313 PolarHBondContact O-N 3.24Å
310	G	62.2	Low	52.6	Low	43 Å²	43	124 Å²	124	44%	0.443	65%	0.646	S	S	.	*	H	α-helix	trans	-70.4	-41.1	173	0	0	0	0	0	112.7	K306 M307 M308 K313 S314	K306-G310 PolarHBondContact O-N 3.38Å; M307-G310 PolarHBondContact O-N 3.25Å; M308-G310 VanDerWaalsContact C-N 3.3Å; M308-G310 PolarHBondContact O-N 3.35Å; G310-K313 PolarHBondContact O-N 2.83Å; G310-S314 PolarHBondContact O-N 2.91Å
311	W	59.5	Low	52	Low	184 Å²	184	124.3 Å²	124.3	70%	0.697	65%	0.647	S	S	*	*	H	α-helix	trans	-69	-42.2	179	-175.7	65.1	0	0	0	112.8	M307 M308 K313 S314 S315	M307-W311 PolarHBondContact O-N 3.03Å; M308-W311 PolarHBondContact O-N 3.27Å; W311-K313 PolarHBondContact O-N 2.99Å; W311-S314 PolarHBondContact O-N 3.48Å; W311-S314 VanDerWaalsContact O-N 3.13Å; W311-S314 PolarHBondContact O-OG 3.48Å; W311-S315 PolarHBondContact O-N 2.72Å
312	L	59.4	Low	51.1	Low	107 Å²	107	129.5 Å²	129.5	56%	0.56	66%	0.664	S	S	*	*	H	α-helix	trans	-63	-27	174.6	-91.2	143.3	0	0	0	113.5	M308 S315	M308-L312 WeakPolarHBondContact O-CD1 3.4Å; M308-L312 PolarHBondContact O-N 3.38Å; L312-S315 PolarHBondContact O-OG 3.14Å
313	K	55	Low	49.9	Very low	169 Å²	169	132.8 Å²	132.8	74%	0.735	68%	0.684	S	S	*	*	H	α-helix	trans	-83.3	-20.1	175.7	-77.6	-179.2	178.4	-177.6	0	113.5	M309 G310 W311	M309-K313 WeakPolarHBondContact O-CG 3.31Å; M309-K313 PolarHBondContact O-N 3.24Å; G310-K313 PolarHBondContact O-N 2.83Å; W311-K313 PolarHBondContact O-N 2.99Å
314	S	46.8	Very low	48.5	Very low	92 Å²	92	136.1 Å²	136.1	64%	0.643	69%	0.692	S	S	*	*	H	α-helix	trans	-90.4	-5.7	179.8	91.6	0	0	0	0	113.5	G310 W311	G310-S314 PolarHBondContact O-N 2.91Å; W311-S314 PolarHBondContact O-N 3.48Å; W311-S314 VanDerWaalsContact O-N 3.13Å; W311-S314 PolarHBondContact O-OG 3.48Å
315	S	41.5	Very low	47.1	Very low	88 Å²	88	138.3 Å²	138.3	62%	0.615	70%	0.702	S	S	*	*	S	Bend	trans	-91.2	14.4	-176.6	73.5	0	0	0	0	114.7	W311 L312	W311-S315 PolarHBondContact O-N 2.72Å; L312-S315 PolarHBondContact O-OG 3.14Å
316	T	44.1	Very low	45.4	Very low	90 Å²	90	139.7 Å²	139.7	55%	0.552	72%	0.724	S	S	*	*			trans	-110.5	115.9	174	50.5	0	0	0	0	111.2
317	H	38.4	Very low	43.7	Very low	178 Å²	178	142.3 Å²	142.3	82%	0.824	74%	0.739	S	S	*	*			trans	150.8	161.4	135.6	-75.2	-43.8	0	0	0	111.7
318	P	42.4	Very low	42	Very low	117 Å²	117	141.9 Å²	141.9	76%	0.76	74%	0.744	S	S	*	*			cis	-134.5	173.9	-12.9	25.4	-1.5	0	0	0	115.1
319	K	37.5	Very low	40.4	Very low	208 Å²	208	145.4 Å²	145.4	90%	0.904	76%	0.756	S	S	*	*			trans	-49.3	139.8	166.4	-78.8	173.6	169.5	177.2	0	113.1
320	R	29.4	Very low	38.7	Very low	252 Å²	252	148.2 Å²	148.2	95%	0.951	77%	0.768	S	S	*	*			trans	-128.2	142.7	160.2	-117.3	179.4	179.4	177	-0.4	110.9
321	K	30.7	Very low	37	Very low	203 Å²	203	155.3 Å²	155.3	88%	0.883	79%	0.789	S	S	*	*			trans	-68.6	152.9	-171.8	-68.2	173.3	170.2	-179.6	0	113.4
322	E	30	Very low	35.5	Very low	188 Å²	188	150 Å²	150	88%	0.879	79%	0.791	S	S	*	*			trans	-58.8	155.3	164.3	-71.7	177.9	157.6	0	0	112.5
323	P	33.4	Very low	34	Very low	130 Å²	130	154 Å²	154	84%	0.844	81%	0.807	S	S	*	*				-136.2	171.4	110.8	36.2	-22.6	0	0	0	114.9
324	D	28.9	Very low	32.7	Very low	144 Å²	144	152.1 Å²	152.1	77%	0.77	81%	0.809	S	S	*	*			trans	-81.3	164	-164.3	-169.9	17.1	0	0	0	116.2
325	T	30.6	Very low	31.9	Very low	127 Å²	127	159.3 Å²	159.3	78%	0.779	82%	0.822	S	S	*	*			trans	86.4	126.6	160.2	66.5	0	0	0	0	121.5
326	G	27.7	Very low	31.3	Very low	80 Å²	80	164.4 Å²	164.4	83%	0.825	84%	0.837	S	S	*	*			trans	146.5	90.7	155.7	0	0	0	0	0	115.4
327	E	28.8	Very low	30.6	Very low	193 Å²	193	166.9 Å²	166.9	90%	0.902	85%	0.852	S	S	*	*			trans	-53	146.8	168.9	-65.5	173.6	122.3	0	0	113.3
328	V	29.6	Very low	30.1	Very low	137 Å²	137	170 Å²	170	83%	0.83	86%	0.856	S	S	*	*				-173.2	122.3	123.1	167	0	0	0	0	110.8
329	K	28.8	Very low	29.5	Very low	202 Å²	202	170.1 Å²	170.1	88%	0.878	86%	0.857	S	S	*	*			trans	21.8	135.5	149.3	-64.2	-180	175.7	179.1	0	124
330	Q	27.8	Very low	29.1	Very low	181 Å²	181	169.6 Å²	169.6	85%	0.846	86%	0.858	S	S	*	*			trans	-43.4	148.8	161.8	-66.5	169.3	-30.4	0	0	116.2
331	E	27	Very low	29.2	Very low	192 Å²	192	167.3 Å²	167.3	90%	0.897	86%	0.855	S	S	*	*				-180	146.6	95.9	-94.3	-174.2	170.4	0	0	112.7
332	G	26.9	Very low	29.1	Very low	71 Å²	71	167 Å²	167	73%	0.732	86%	0.856	S	S	*	*			trans	94.2	91.9	146.9	0	0	0	0	0	118.9
333	H	28.3	Very low	29.2	Very low	192 Å²	192	166.9 Å²	166.9	89%	0.889	86%	0.858	S	S	*	*			trans	-137.4	124.3	148.7	-124.3	52.2	0	0	0	113.6
334	T	27.5	Very low	29.3	Very low	129 Å²	129	170.5 Å²	170.5	79%	0.791	86%	0.861	S	S	*	*			trans	-70	148.9	179.9	8.8	0	0	0	0	112.3
335	R	31.4	Very low	29.9	Very low	243 Å²	243	170.5 Å²	170.5	92%	0.917	87%	0.866	S	S	*	*			trans	-53.7	134.6	165.8	-92.6	172.5	162.1	172.8	-4.8	111.7
336	E	28.5	Very low	30.2	Very low	196 Å²	196	168.1 Å²	168.1	92%	0.916	86%	0.859	S	S	*	*			trans	-138.4	134.1	144.9	-83.8	-168.7	162.9	0	0	111.7
337	T	29.6	Very low	30.9	Very low	142 Å²	142	166.3 Å²	166.3	87%	0.871	84%	0.841	S	S	*	*			trans	-79.4	149.9	-178.8	32.1	0	0	0	0	111.4
338	R	26.9	Very low	31.7	Very low	244 Å²	244	161.4 Å²	161.4	92%	0.921	83%	0.825	S	S	*	*			trans	-119	133.8	172.8	-152.7	176.1	-169.5	-173.2	3.8	109.6
339	P	30.3	Very low	32.4	Very low	119 Å²	119	159.4 Å²	159.4	77%	0.773	81%	0.81	S	S	*	*			trans	-84	149.4	-170.8	32.8	-33.8	0	0	0	112.9
340	E	29.3	Very low	33.1	Very low	196 Å²	196	156.6 Å²	156.6	92%	0.916	80%	0.8	S	S	*	*			trans	-64.3	143.2	172.5	-68.2	174	140.6	0	0	112
341	K	30.3	Very low	33.7	Very low	204 Å²	204	154.7 Å²	154.7	89%	0.887	79%	0.791	S	S	*	*			trans	-112.3	117.1	165.4	-90.7	-176.1	175.8	-179.6	0	109.8
342	Q	30.4	Very low	34.7	Very low	196 Å²	196	153.9 Å²	153.9	92%	0.916	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-58.9	129.2	168.3	-73.5	172.6	-19	0	0	111
343	M	31.9	Very low	35.7	Very low	186 Å²	186	157.5 Å²	157.5	92%	0.916	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-88.3	126.1	170.7	-74.7	178.8	75.6	0	0	109.9
344	K	34.6	Very low	36.4	Very low	207 Å²	207	155.4 Å²	155.4	90%	0.9	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-78.6	143.2	172	-71.4	-177.8	175.9	-177.7	0	110.7
345	T	41.3	Very low	36.8	Very low	144 Å²	144	152.2 Å²	152.2	88%	0.883	76%	0.764	S	S	*	*			trans	-80.2	116	-177.9	44.9	0	0	0	0	112.5
346	A	36.5	Very low	37.1	Very low	76 Å²	76	144 Å²	144	63%	0.628	75%	0.748	S	S	*	*			trans	-179.8	126.6	148.7	0	0	0	0	0	108.5
347	G	42.5	Very low	37.4	Very low	43 Å²	43	141.9 Å²	141.9	44%	0.443	74%	0.744	S	S	.	*			trans	-70.4	143.1	-175.9	0	0	0	0	0	113.6	L349 Q350	G347-L349 PolarHBondContact O-N 3.13Å; G347-L349 VanDerWaalsContact O-N 3.12Å; G347-Q350 PolarHBondContact O-N 3.39Å
348	P	46.2	Very low	37.7	Very low	89 Å²	89	145.1 Å²	145.1	58%	0.578	75%	0.745	S	S	*	*	H	α-helix	trans	-62.5	-19.8	-176.1	-22.4	32.7	0	0	0	115.6	Q350 Q351 W352	P348-Q350 VanDerWaalsContact C-N 3.3Å; P348-Q350 PolarHBondContact O-N 2.88Å; P348-Q351 PolarHBondContact O-N 3.3Å; P348-W352 PolarHBondContact O-N 3.21Å
349	L	44.6	Very low	38.2	Very low	96 Å²	96	142.6 Å²	142.6	50%	0.503	74%	0.741	S	S	.	*	H	α-helix	trans	-66.7	-32.9	-179.5	-159.4	79.5	0	0	0	111.8	G347	G347-L349 PolarHBondContact O-N 3.13Å; G347-L349 VanDerWaalsContact O-N 3.12Å
350	Q	42.7	Very low	38.4	Very low	143 Å²	143	142.8 Å²	142.8	67%	0.668	74%	0.742	S	S	*	*	H	α-helix	trans	-78.4	-26.3	-179.1	-158.8	165.8	7.2	0	0	112.4	G347 P348	G347-Q350 PolarHBondContact O-N 3.39Å; P348-Q350 VanDerWaalsContact C-N 3.3Å; P348-Q350 PolarHBondContact O-N 2.88Å
351	Q	41.6	Very low	38.4	Very low	141 Å²	141	145.3 Å²	145.3	66%	0.659	74%	0.744	S	S	*	*	H	α-helix	trans	-74.3	-24	174.3	-82.7	179.5	-21	0	0	113.1	P348	P348-Q351 PolarHBondContact O-N 3.3Å
352	W	46.8	Very low	39	Very low	175 Å²	175	141.8 Å²	141.8	66%	0.663	74%	0.739	S	S	*	*	H	α-helix	trans	-81.9	-29	-175.5	-174.8	75.2	0	0	0	114.4	P348 Q354 G355	P348-W352 PolarHBondContact O-N 3.21Å; W352-Q354 PolarHBondContact O-N 2.98Å; W352-G355 PolarHBondContact O-N 2.87Å; W352-G355 VanDerWaalsContact O-N 3.09Å
353	L	47.6	Very low	39.3	Very low	147 Å²	147	143.9 Å²	143.9	77%	0.77	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-11.4	174.5	-73	170.4	0	0	0	113.5
354	Q	44.5	Very low	39.7	Very low	148 Å²	148	141.8 Å²	141.8	69%	0.692	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	-6.2	179.8	-58.9	-176.3	7.5	0	0	114.3	W352	W352-Q354 PolarHBondContact O-N 2.98Å
355	G	36.2	Very low	40	Very low	61 Å²	61	138.4 Å²	138.4	63%	0.629	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	-12.6	-164.6	0	0	0	0	0	117.7	W352	W352-G355 PolarHBondContact O-N 2.87Å; W352-G355 VanDerWaalsContact O-N 3.09Å
356	A	36.8	Very low	39.9	Very low	71 Å²	71	138.1 Å²	138.1	59%	0.587	73%	0.733	S	S	*	*			trans	-105.9	69.1	-171.9	0	0	0	0	0	112.6
357	N	35.7	Very low	40.1	Very low	152 Å²	152	141.7 Å²	141.7	81%	0.813	74%	0.739	S	S	*	*			trans	-157.2	92.6	156.2	-110.4	-20.4	0	0	0	111.1
358	K	34.5	Very low	40	Very low	209 Å²	209	147.9 Å²	147.9	91%	0.909	76%	0.758	S	S	*	*			trans	-129.7	106.7	156	-74.7	-170.9	178.8	-179.3	0	107.9
359	K	37.5	Very low	39.6	Very low	191 Å²	191	151.8 Å²	151.8	83%	0.83	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-63.1	150.9	167.5	-73.9	-179	178.5	177.7	0	109.8
360	P	34.7	Very low	39.2	Very low	123 Å²	123	155.8 Å²	155.8	80%	0.799	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-68.5	133.4	173.1	27.7	-31.5	0	0	0	110.6
361	R	29.4	Very low	38.9	Very low	250 Å²	250	156.8 Å²	156.8	94%	0.943	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-73.6	120.6	165.9	-86.5	-179.7	164.7	170.2	-5	108.4
362	T	42.5	Very low	38.7	Very low	129 Å²	129	158.1 Å²	158.1	79%	0.791	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-77.8	131.8	162.5	47.9	0	0	0	0	109.3
363	N	38.3	Very low	38	Very low	241 Å²	241	156.5 Å²	156.5	100%	1.289	82%	0.823	S	S	*	*			trans	-139	0	144.4	-100.3	-1.3	0	0	0	107.2

Retrieved 363 of 363 residues in 820.8 ms (Link to these results)

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