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EKC/KEOPS complex subunit Tp53rkb

Component of the EKC/KEOPS complex that is required for the formation of a threonylcarbamoyl group on adenosine at position 37 (t(6)A37) in tRNAs that read codons beginning with adenine. The complex is probably involved in the transfer of the threonylcarbamoyl moiety of threonylcarbamoyl-AMP (TC-AMP) to the N6 group of A37. TP53RK has ATPase activity in the context of the EKC/KEOPS complex and likely plays a supporting role to the catalytic subunit OSGEP (By similarity). Atypical protein kinase that phosphorylates 'Ser-15' of p53/TP53 protein and may therefore participate in its activation (By similarity).

AlphaFold DB , UniProt , Accession Q99PW4, Species MOUSE (Mus musculus, Mouse), Gene Tp53rkb, Length 244 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	51.3	Low	72.8	Confident	225 Å²	225	102.8 Å²	102.8	100%	1.108	62%	0.615	S	S	*	*				0	-6.7	0	-66.8	-153.4	-74.4	0	0	114.4
2	A	54.6	Low	74	Confident	84 Å²	84	99.3 Å²	99.3	69%	0.694	61%	0.605	S	S	*	*			trans	-79.2	-30.4	178.2	0	0	0	0	0	114.7	T4 S5	A2-T4 PolarHBondContact O-N 2.9Å; A2-S5 PolarHBondContact O-N 3.03Å
3	G	56	Low	75	Confident	44 Å²	44	96.8 Å²	96.8	45%	0.454	59%	0.586	S	S	.	*	H	α-helix	trans	-67.4	-33.6	-173.2	0	0	0	0	0	115.3	S5 S6 E7	G3-S5 PolarHBondContact O-N 3.13Å; G3-S6 PolarHBondContact O-OG 3.09Å; G3-E7 PolarHBondContact O-N 3.23Å
4	T	62.4	Low	75.9	Confident	108 Å²	108	94.1 Å²	94.1	66%	0.663	58%	0.579	S	S	*	*	H	α-helix	trans	-72.4	-29.9	-179.2	53.3	0	0	0	0	112.6	A2 A8	A2-T4 PolarHBondContact O-N 2.9Å; T4-A8 PolarHBondContact O-N 2.93Å
5	S	69.4	Low	76.8	Confident	64 Å²	64	90.6 Å²	90.6	45%	0.448	56%	0.563	S	S	.	*	H	α-helix	trans	-71.4	-41.8	178.2	-166	0	0	0	0	111.6	A2 G3 E9	A2-S5 PolarHBondContact O-N 3.03Å; G3-S5 PolarHBondContact O-N 3.13Å; S5-E9 WeakPolarHBondContact O-CG 3.29Å; S5-E9 PolarHBondContact O-N 3.34Å; S5-E9 VanDerWaalsContact O-N 3.09Å
6	S	80.1	Confident	77.5	Confident	68 Å²	68	86.1 Å²	86.1	48%	0.476	54%	0.538	S	S	.	.	H	α-helix	trans	-69.1	-36.5	-178	53.8	0	0	0	0	113.1	G3 A10	G3-S6 PolarHBondContact O-OG 3.09Å; S6-A10 WeakPolarHBondContact O-CB 3.43Å; S6-A10 PolarHBondContact O-N 3.2Å
7	E	83.6	Confident	78.2	Confident	143 Å²	143	88.2 Å²	88.2	67%	0.668	53%	0.533	S	S	*	.	H	α-helix	trans	-67.6	-45.5	177.7	-73.2	176.4	178.6	0	0	111.2	G3 E9 A10 E11	G3-E7 PolarHBondContact O-N 3.23Å; E7-E9 VanDerWaalsContact C-N 3.33Å; E7-E9 PolarHBondContact O-N 2.84Å; E7-A10 PolarHBondContact O-N 3.44Å; E7-E11 PolarHBondContact O-N 2.91Å
8	A	86.1	Confident	78.9	Confident	56 Å²	56	87.9 Å²	87.9	46%	0.463	53%	0.525	S	S	.	.	H	α-helix	trans	-61.6	-39.5	176.8	0	0	0	0	0	112.5	T4 A12	T4-A8 PolarHBondContact O-N 2.93Å; A8-A12 WeakPolarHBondContact O-CB 3.45Å; A8-A12 PolarHBondContact O-N 3.32Å
9	E	84.2	Confident	79.5	Confident	133 Å²	133	91.6 Å²	91.6	62%	0.621	53%	0.529	S	S	*	.	H	α-helix	trans	-64.7	-41.6	174.6	-76.6	177	-172.9	0	0	112.4	S5 E7 A12 L13	S5-E9 WeakPolarHBondContact O-CG 3.29Å; S5-E9 PolarHBondContact O-N 3.34Å; S5-E9 VanDerWaalsContact O-N 3.09Å; E7-E9 VanDerWaalsContact C-N 3.33Å; E7-E9 PolarHBondContact O-N 2.84Å; E9-A12 PolarHBondContact O-N 3.49Å; E9-L13 WeakPolarHBondContact O-CB 3.25Å; E9-L13 PolarHBondContact O-N 3.01Å
10	A	85.3	Confident	80.1	Confident	59 Å²	59	87.7 Å²	87.7	49%	0.488	51%	0.507	S	S	.	.	H	α-helix	trans	-64.8	-42.4	177.6	0	0	0	0	0	111.7	S6 E7 L13 A14	S6-A10 WeakPolarHBondContact O-CB 3.43Å; S6-A10 PolarHBondContact O-N 3.2Å; E7-A10 PolarHBondContact O-N 3.44Å; A10-L13 PolarHBondContact O-N 2.92Å; A10-A14 WeakPolarHBondContact O-CB 3.4Å; A10-A14 PolarHBondContact O-N 3Å
11	E	88.3	Confident	80.6	Confident	147 Å²	147	91.6 Å²	91.6	69%	0.687	51%	0.513	S	S	*	.	H	α-helix	trans	-65.1	-44.9	176.6	-170.4	176.7	-174.3	0	0	111.6	E7 L13 A14 A15	E7-E11 PolarHBondContact O-N 2.91Å; E11-L13 VanDerWaalsContact C-N 3.31Å; E11-L13 PolarHBondContact O-N 2.76Å; E11-A14 PolarHBondContact O-N 2.68Å; E11-A15 WeakPolarHBondContact O-CB 3.07Å; E11-A15 PolarHBondContact O-N 2.72Å
12	A	86.9	Confident	82.6	Confident	60 Å²	60	85.9 Å²	85.9	50%	0.496	49%	0.487	S	S	.	.	H	α-helix	trans	-60.9	-40.2	175.9	0	0	0	0	0	112.2	A8 E9 A16	A8-A12 WeakPolarHBondContact O-CB 3.45Å; A8-A12 PolarHBondContact O-N 3.32Å; E9-A12 PolarHBondContact O-N 3.49Å; A12-A16 WeakPolarHBondContact O-CB 3.36Å; A12-A16 PolarHBondContact O-N 3.23Å
13	L	86.3	Confident	84.5	Confident	68 Å²	68	85.3 Å²	85.3	36%	0.356	47%	0.469	S	S	.	.	H	α-helix	trans	-66.3	-41.9	175.9	-177.8	65.6	0	0	0	111.9	E9 A10 E11 A16 R17 A98	E9-L13 WeakPolarHBondContact O-CB 3.25Å; E9-L13 PolarHBondContact O-N 3.01Å; A10-L13 PolarHBondContact O-N 2.92Å; E11-L13 VanDerWaalsContact C-N 3.31Å; E11-L13 PolarHBondContact O-N 2.76Å; L13-A16 PolarHBondContact O-N 3.19Å; L13-R17 WeakPolarHBondContact O-CG 3.23Å; L13-R17 PolarHBondContact O-N 2.94Å; L13-A98 HydrophobicContact CD1-CB 3.52Å
14	A	87.5	Confident	86.3	Confident	58 Å²	58	83.6 Å²	83.6	48%	0.479	45%	0.449	S	S	.	.	H	α-helix	trans	-62.9	-46.1	176.1	0	0	0	0	0	111.3	A10 E11 A16 R17 E18	A10-A14 WeakPolarHBondContact O-CB 3.4Å; A10-A14 PolarHBondContact O-N 3Å; E11-A14 PolarHBondContact O-N 2.68Å; A14-A16 VanDerWaalsContact C-N 3.32Å; A14-A16 PolarHBondContact O-N 2.92Å; A14-R17 PolarHBondContact O-N 3.48Å; A14-E18 PolarHBondContact O-N 3.37Å
15	A	89.6	Confident	87.8	Confident	42 Å²	42	83 Å²	83	35%	0.347	45%	0.449	S	S	.	.	H	α-helix	trans	-61.9	-38.4	176.1	0	0	0	0	0	112.2	E11 E18 R19	E11-A15 WeakPolarHBondContact O-CB 3.07Å; E11-A15 PolarHBondContact O-N 2.72Å; A15-E18 PolarHBondContact O-N 3.04Å; A15-R19 WeakPolarHBondContact O-CG 3.38Å; A15-R19 PolarHBondContact O-N 3.29Å; A15-R19 PolarHBondContact O-NH1 3.17Å
16	A	88.4	Confident	89.1	Confident	19 Å²	19	83.2 Å²	83.2	16%	0.157	46%	0.462	C	S	.	.	H	α-helix	trans	-63.7	-43.5	174.6	0	0	0	0	0	112.3	A12 L13 A14 R19 S20 A98	A12-A16 WeakPolarHBondContact O-CB 3.36Å; A12-A16 PolarHBondContact O-N 3.23Å; L13-A16 PolarHBondContact O-N 3.19Å; A14-A16 VanDerWaalsContact C-N 3.32Å; A14-A16 PolarHBondContact O-N 2.92Å; A16-R19 PolarHBondContact O-N 2.95Å; A16-S20 PolarHBondContact O-N 3.44Å; A16-S20 PolarHBondContact O-OG 3.26Å; A16-A98 HydrophobicContact CB-CB 3.75Å
17	R	89.4	Confident	89.9	Confident	121 Å²	121	81.3 Å²	81.3	46%	0.457	45%	0.446	S	S	.	.	H	α-helix	trans	-64	-39.9	176.6	-73.9	171.8	173	172.4	0.3	112.6	L13 A14 S20 R21 A98 S99	L13-R17 WeakPolarHBondContact O-CG 3.23Å; L13-R17 PolarHBondContact O-N 2.94Å; A14-R17 PolarHBondContact O-N 3.48Å; R17-S20 PolarHBondContact O-N 3.07Å; R17-R21 WeakPolarHBondContact O-CB 3.42Å; R17-R21 PolarHBondContact O-N 3.09Å; R17-A98 HydrophobicContact CG-CB 4.49Å; R17-A98 WeakPolarHBondContact CG-O 3.39Å; R17-A98 PolarHBondContact NE-O 3.13Å; R17-S99 WeakPolarHBondContact CA-OG 3.39Å
18	E	91.1	Very high	90.5	Very high	84 Å²	84	79.6 Å²	79.6	39%	0.393	44%	0.438	S	S	.	.	H	α-helix	trans	-67.3	-41.2	177.8	-170	56.4	-151.9	0	0	111.5	A14 A15 S20 R21 L22	A14-E18 PolarHBondContact O-N 3.37Å; A15-E18 PolarHBondContact O-N 3.04Å; E18-S20 VanDerWaalsContact C-N 3.34Å; E18-S20 PolarHBondContact O-N 3.39Å; E18-R21 WeakPolarHBondContact O-CB 3.48Å; E18-R21 PolarHBondContact O-N 3.43Å; E18-R21 IonicContact OE2-NH1 3.72Å; E18-L22 HydrophobicContact CG-CD1 4.35Å; E18-L22 WeakPolarHBondContact O-CG 3.34Å; E18-L22 PolarHBondContact O-N 3.03Å
19	R	90.1	Very high	91.1	Very high	157 Å²	157	80.9 Å²	80.9	59%	0.592	44%	0.437	S	S	*	.	H	α-helix	trans	-58	-45.6	172.8	-74.2	-171.7	-61.2	-88.7	4.7	112.1	A15 A16 L22 F23	A15-R19 WeakPolarHBondContact O-CG 3.38Å; A15-R19 PolarHBondContact O-N 3.29Å; A15-R19 PolarHBondContact O-NH1 3.17Å; A16-R19 PolarHBondContact O-N 2.95Å; R19-L22 PolarHBondContact O-N 3.34Å; R19-F23 WeakPolarHBondContact O-CB 3.45Å; R19-F23 PolarHBondContact O-N 3.43Å
20	S	91.2	Very high	91.6	Very high	13 Å²	13	77.8 Å²	77.8	9%	0.091	43%	0.427	C	S	.	.	H	α-helix	trans	-66.8	-38.3	177.5	-68.1	0	0	0	0	112	A16 R17 E18 F23 L24 D96 S99	A16-S20 PolarHBondContact O-N 3.44Å; A16-S20 PolarHBondContact O-OG 3.26Å; R17-S20 PolarHBondContact O-N 3.07Å; E18-S20 VanDerWaalsContact C-N 3.34Å; E18-S20 PolarHBondContact O-N 3.39Å; S20-F23 PolarHBondContact O-N 3.31Å; S20-L24 WeakPolarHBondContact O-CB 3.23Å; S20-L24 WeakPolarHBondContact O-CG 3.38Å; S20-L24 PolarHBondContact O-N 3.42Å; S20-D96 WeakPolarHBondContact CB-OD2 3.39Å; S20-D96 PolarHBondContact OG-OD2 3.01Å; S20-S99 WeakPolarHBondContact CB-OG 3.32Å; S20-S99 PolarHBondContact OG-OG 3.35Å
21	R	91.7	Very high	91.9	Very high	170 Å²	170	81 Å²	81	64%	0.642	43%	0.432	S	S	*	.	H	α-helix	trans	-60.3	-47.9	173.9	-177.8	-172.3	178.2	-179	-1	111.7	R17 E18 L24 S25	R17-R21 WeakPolarHBondContact O-CB 3.42Å; R17-R21 PolarHBondContact O-N 3.09Å; E18-R21 WeakPolarHBondContact O-CB 3.48Å; E18-R21 PolarHBondContact O-N 3.43Å; E18-R21 IonicContact OE2-NH1 3.72Å; R21-L24 PolarHBondContact O-N 3.22Å; R21-S25 PolarHBondContact O-N 2.93Å
22	L	93	Very high	92.2	Very high	105 Å²	105	79.7 Å²	79.7	55%	0.55	43%	0.426	S	S	.	.	H	α-helix	trans	-60.9	-46.2	177.5	-71.6	170.9	0	0	0	110.9	E18 R19 L24 S25	E18-L22 HydrophobicContact CG-CD1 4.35Å; E18-L22 WeakPolarHBondContact O-CG 3.34Å; E18-L22 PolarHBondContact O-N 3.03Å; R19-L22 PolarHBondContact O-N 3.34Å; L22-L24 PolarHBondContact O-N 3.12Å; L22-S25 PolarHBondContact O-N 2.95Å; L22-S25 PolarHBondContact O-OG 2.94Å
23	F	93.8	Very high	92.3	Very high	72 Å²	72	78.5 Å²	78.5	32%	0.316	42%	0.42	S	S	.	.	H	α-helix	trans	-58.6	-49.9	176.2	-176.5	-97.1	0	0	0	111.9	R19 S20 S25 G26 L27 R42 F43 Y103	R19-F23 WeakPolarHBondContact O-CB 3.45Å; R19-F23 PolarHBondContact O-N 3.43Å; S20-F23 PolarHBondContact O-N 3.31Å; F23-S25 VanDerWaalsContact C-N 3.25Å; F23-S25 PolarHBondContact O-N 2.88Å; F23-G26 PolarHBondContact O-N 3.42Å; F23-G26 VanDerWaalsContact O-N 3.13Å; F23-L27 HydrophobicContact CD1-CD1 4.13Å; F23-L27 HydrophobicContact CE1-CD1 3.74Å; F23-L27 HydrophobicContact CE1-CD2 4.02Å; F23-L27 HydrophobicContact CE1-CG 4.22Å; F23-L27 HydrophobicContact CZ-CD2 4.11Å; F23-R42 WeakPolarHBondContact CZ-O 3.48Å; F23-F43 HydrophobicContact CE1-CD2 4.21Å; F23-F43 HydrophobicContact CZ-CB 4.45Å; F23-F43 AromaticContact CZ-CD2 3.86Å; F23-F43 HydrophobicContact CZ-CD2 3.86Å; F23-Y103 AromaticContact CD1-CE1 3.77Å; F23-Y103 HydrophobicContact CD1-CE1 3.77Å; F23-Y103 HydrophobicContact CE1-CD1 4.27Å; F23-Y103 AromaticContact CE1-CE1 3.54Å; F23-Y103 HydrophobicContact CE1-CE1 3.54Å; F23-Y103 HydrophobicContact CZ-CE1 4.5Å
24	L	94.8	Very high	92.3	Very high	8 Å²	8	78.8 Å²	78.8	4%	0.042	43%	0.432	C	S	.	.	H	α-helix	trans	-62.6	-30.8	179.4	-69.7	176.7	0	0	0	112.9	S20 R21 L22 G26 L27 F39 V50 H52	S20-L24 WeakPolarHBondContact O-CB 3.23Å; S20-L24 WeakPolarHBondContact O-CG 3.38Å; S20-L24 PolarHBondContact O-N 3.42Å; R21-L24 PolarHBondContact O-N 3.22Å; L22-L24 PolarHBondContact O-N 3.12Å; L24-G26 PolarHBondContact O-N 3.45Å; L24-L27 HydrophobicContact CD2-CD1 3.89Å; L24-L27 PolarHBondContact O-N 3.28Å; L24-L27 VanDerWaalsContact O-N 3.13Å; L24-F39 HydrophobicContact CD1-CE2 4.32Å; L24-F39 HydrophobicContact CD2-CD2 3.84Å; L24-F39 HydrophobicContact CD2-CE2 4.19Å; L24-F39 HydrophobicContact CD2-CG 4.23Å; L24-V50 HydrophobicContact CD2-CB 4.08Å; L24-V50 HydrophobicContact CD2-CG1 3.63Å; L24-H52 HydrophobicContact CD1-CB 3.86Å; L24-H52 VanDerWaalsContact CD1-ND1 3.32Å; L24-H52 WeakPolarHBondContact CD1-ND1 3.35Å
25	S	94	Very high	92.2	Very high	96 Å²	96	79.4 Å²	79.4	67%	0.671	43%	0.425	S	S	*	.	H	α-helix	trans	-67.6	-20.1	177.9	75.2	0	0	0	0	113.6	R21 L22 F23	R21-S25 PolarHBondContact O-N 2.93Å; L22-S25 PolarHBondContact O-N 2.95Å; L22-S25 PolarHBondContact O-OG 2.94Å; F23-S25 VanDerWaalsContact C-N 3.25Å; F23-S25 PolarHBondContact O-N 2.88Å
26	G	95	Very high	92.4	Very high	69 Å²	69	78 Å²	78	71%	0.711	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	2.6	173.3	0	0	0	0	0	114.4	F23 L24	F23-G26 PolarHBondContact O-N 3.42Å; F23-G26 VanDerWaalsContact O-N 3.13Å; L24-G26 PolarHBondContact O-N 3.45Å
27	L	96.7	Very high	92.7	Very high	28 Å²	28	80.8 Å²	80.8	15%	0.147	42%	0.419	C	S	.	.	S	Bend	trans	-103.5	157.2	-179.5	-53.5	-175.7	0	0	0	111.7	F23 L24 F39 R40 V50	F23-L27 HydrophobicContact CD1-CD1 4.13Å; F23-L27 HydrophobicContact CE1-CD1 3.74Å; F23-L27 HydrophobicContact CE1-CD2 4.02Å; F23-L27 HydrophobicContact CE1-CG 4.22Å; F23-L27 HydrophobicContact CZ-CD2 4.11Å; L24-L27 HydrophobicContact CD2-CD1 3.89Å; L24-L27 PolarHBondContact O-N 3.28Å; L24-L27 VanDerWaalsContact O-N 3.13Å; L27-F39 HydrophobicContact CB-CB 3.81Å; L27-F39 HydrophobicContact CB-CD1 4.22Å; L27-F39 HydrophobicContact CB-CG 4.38Å; L27-F39 HydrophobicContact CD1-CB 3.8Å; L27-F39 HydrophobicContact CG-CB 4.49Å; L27-R40 WeakPolarHBondContact CB-O 3.46Å; L27-V50 HydrophobicContact CD1-CB 4.16Å; L27-V50 HydrophobicContact CD1-CG2 3.73Å
28	E	97.9	Very high	93.1	Very high	107 Å²	107	76.5 Å²	76.5	50%	0.5	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	127.7	172.7	-176.1	-166.9	-178.7	0	0	109.7	V30 F39 R40	E28-V30 PolarHBondContact O-N 2.98Å; E28-F39 CarbonylContact O-C 3.6Å; E28-F39 WeakPolarHBondContact O-CA 3.39Å; E28-R40 HydrophobicContact CB-CB 4.39Å; E28-R40 PolarHBondContact N-O 3.29Å; E28-R40 PolarHBondContact O-N 2.92Å; E28-R40 IonicContact OE1-NH1 3.97Å; E28-R40 WeakPolarHBondContact OE2-CD 3.1Å; E28-R40 IonicContact OE2-CZ 2.81Å; E28-R40 IonicContact OE2-NH1 3.81Å; E28-R40 PolarHBondContact OE2-NH1 2.96Å
29	L	97.3	Very high	93.4	Very high	83 Å²	83	73.3 Å²	73.3	44%	0.435	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	112.7	170.2	178.7	66.7	0	0	0	109.5	R37 F39	L29-R37 HydrophobicContact CD1-CB 3.94Å; L29-R37 HydrophobicContact CD1-CG 4.15Å; L29-F39 HydrophobicContact CB-CD1 4.25Å; L29-F39 HydrophobicContact CB-CE1 4.22Å; L29-F39 HydrophobicContact CD1-CD1 4.12Å; L29-F39 HydrophobicContact CD1-CE1 3.82Å; L29-F39 HydrophobicContact CD1-CZ 4.05Å
30	V	94.7	Very high	93.8	Very high	67 Å²	67	69.9 Å²	69.9	41%	0.406	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-44.3	179.5	179.4	0	0	0	0	111.3	E28 V38 R40	E28-V30 PolarHBondContact O-N 2.98Å; V30-V38 PolarHBondContact N-O 3.1Å; V30-R40 HydrophobicContact CG2-CB 3.44Å; V30-R40 VanDerWaalsContact CG2-CB 3.44Å
31	Q	93	Very high	94.1	Very high	126 Å²	126	70.4 Å²	70.4	59%	0.589	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.4	141.7	-175.2	-170.5	178	-8.9	0	0	111.2	R37 V38	Q31-R37 WeakPolarHBondContact O-CA 3.21Å; Q31-V38 HydrophobicContact CB-CB 4.21Å; Q31-V38 PolarHBondContact N-O 3.28Å; Q31-V38 PolarHBondContact O-N 3.19Å
32	Q	93.6	Very high	94.4	Very high	120 Å²	120	70.3 Å²	70.3	56%	0.561	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	111.8	171.1	-177.5	147.3	-30.4	0	0	110.2	R37	Q32-R37 HydrophobicContact CB-CG 4.27Å; Q32-R37 HydrophobicContact CG-CG 3.85Å
33	G	89.1	Confident	94.5	Very high	36 Å²	36	66.5 Å²	66.5	37%	0.371	36%	0.364	S	S	.	.			trans	-98.8	-178.7	173.8	0	0	0	0	0	112.3	E35 A36	G33-E35 VanDerWaalsContact C-N 3.28Å; G33-E35 PolarHBondContact O-N 3.22Å; G33-A36 PolarHBondContact N-O 3.44Å
34	A	86.7	Confident	94.6	Very high	74 Å²	74	71 Å²	71	61%	0.612	39%	0.386	S	S	*	.	S	Bend	trans	-63.7	-33.9	176.1	0	0	0	0	0	112.2	F54 K56	A34-F54 WeakPolarHBondContact O-CZ 3.45Å; A34-K56 WeakPolarHBondContact O-CE 3.42Å; A34-K56 PolarHBondContact O-NZ 2.94Å
35	E	85.5	Confident	94.6	Very high	71 Å²	71	73.1 Å²	73.1	33%	0.332	41%	0.41	S	S	.	.	S	Bend	trans	-116.4	-10.8	-170.6	-58.1	-166.9	119.3	0	0	114.7	G33 R59 R71	G33-E35 VanDerWaalsContact C-N 3.28Å; G33-E35 PolarHBondContact O-N 3.22Å; E35-R59 IonicContact OE1-NH2 2.82Å; E35-R71 IonicContact OE1-CZ 2.7Å; E35-R71 IonicContact OE1-NH1 3.93Å; E35-R71 PolarHBondContact OE1-NH1 2.79Å; E35-R71 IonicContact OE2-CZ 2.89Å; E35-R71 IonicContact OE2-NH1 3.84Å; E35-R71 PolarHBondContact OE2-NH1 3.28Å; E35-R71 IonicContact OE2-NH2 3.7Å; E35-R71 PolarHBondContact OE2-NH2 2.99Å
36	A	93.4	Very high	94.8	Very high	11 Å²	11	74.8 Å²	74.8	9%	0.091	40%	0.402	C	S	.	.			trans	-154.7	155.3	-177.7	0	0	0	0	0	111.8	G33 K51 H52 R53	G33-A36 PolarHBondContact N-O 3.44Å; A36-K51 HydrophobicContact CB-CG 3.93Å; A36-H52 CarbonylContact C-O 3.4Å; A36-H52 VanDerWaalsContact CA-O 3.23Å; A36-H52 WeakPolarHBondContact CA-O 3.41Å; A36-R53 HydrophobicContact CB-CG 4.13Å
37	R	95.8	Very high	94.9	Very high	78 Å²	78	72.3 Å²	72.3	29%	0.294	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	138.2	165	-73.8	174.3	-76	-176.8	-5.5	108.6	L29 Q31 Q32 F39 K51 H52 F54	L29-R37 HydrophobicContact CD1-CB 3.94Å; L29-R37 HydrophobicContact CD1-CG 4.15Å; Q31-R37 WeakPolarHBondContact O-CA 3.21Å; Q32-R37 HydrophobicContact CB-CG 4.27Å; Q32-R37 HydrophobicContact CG-CG 3.85Å; R37-F39 HydrophobicContact CB-CD2 4.23Å; R37-F39 HydrophobicContact CB-CE2 3.43Å; R37-F39 VanDerWaalsContact CB-CE2 3.43Å; R37-F39 HydrophobicContact CB-CZ 3.79Å; R37-K51 WeakPolarHBondContact O-CA 3.13Å; R37-H52 PolarHBondContact N-O 3.15Å; R37-H52 PolarHBondContact O-N 2.99Å; R37-F54 HydrophobicContact CG-CD1 4.1Å; R37-F54 HydrophobicContact CG-CE1 4.02Å
38	V	97.1	Very high	95	Very high	31 Å²	31	71 Å²	71	19%	0.188	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122	177.7	-176.5	0	0	0	0	107.7	V30 Q31 V49 V50	V30-V38 PolarHBondContact N-O 3.1Å; Q31-V38 HydrophobicContact CB-CB 4.21Å; Q31-V38 PolarHBondContact N-O 3.28Å; Q31-V38 PolarHBondContact O-N 3.19Å; V38-V49 HydrophobicContact CG1-CG1 3.45Å; V38-V49 VanDerWaalsContact CG1-CG1 3.45Å; V38-V50 WeakPolarHBondContact CA-O 3.49Å
39	F	98.2	Very high	95	Very high	17 Å²	17	67.4 Å²	67.4	8%	0.075	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	149.6	-179.7	-59.4	-94.6	0	0	0	110.6	L24 L27 E28 L29 R37 V49 V50 H52	L24-F39 HydrophobicContact CD1-CE2 4.32Å; L24-F39 HydrophobicContact CD2-CD2 3.84Å; L24-F39 HydrophobicContact CD2-CE2 4.19Å; L24-F39 HydrophobicContact CD2-CG 4.23Å; L27-F39 HydrophobicContact CB-CB 3.81Å; L27-F39 HydrophobicContact CB-CD1 4.22Å; L27-F39 HydrophobicContact CB-CG 4.38Å; L27-F39 HydrophobicContact CD1-CB 3.8Å; L27-F39 HydrophobicContact CG-CB 4.49Å; E28-F39 CarbonylContact O-C 3.6Å; E28-F39 WeakPolarHBondContact O-CA 3.39Å; L29-F39 HydrophobicContact CB-CD1 4.25Å; L29-F39 HydrophobicContact CB-CE1 4.22Å; L29-F39 HydrophobicContact CD1-CD1 4.12Å; L29-F39 HydrophobicContact CD1-CE1 3.82Å; L29-F39 HydrophobicContact CD1-CZ 4.05Å; R37-F39 HydrophobicContact CB-CD2 4.23Å; R37-F39 HydrophobicContact CB-CE2 3.43Å; R37-F39 VanDerWaalsContact CB-CE2 3.43Å; R37-F39 HydrophobicContact CB-CZ 3.79Å; F39-V49 CarbonylContact O-C 3.56Å; F39-V49 VanDerWaalsContact O-CA 3.31Å; F39-V49 WeakPolarHBondContact O-CA 3.24Å; F39-V50 HydrophobicContact CB-CB 4.39Å; F39-V50 PolarHBondContact N-O 2.96Å; F39-V50 PolarHBondContact O-N 3.3Å; F39-H52 HydrophobicContact CD2-CB 4.41Å; F39-H52 HydrophobicContact CE2-CB 3.93Å
40	R	98	Very high	95	Very high	86 Å²	86	63.5 Å²	63.5	33%	0.325	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.6	172.1	178.9	-169.9	-67.8	130.4	-8	110.1	L27 E28 V30 E106	L27-R40 WeakPolarHBondContact CB-O 3.46Å; E28-R40 HydrophobicContact CB-CB 4.39Å; E28-R40 PolarHBondContact N-O 3.29Å; E28-R40 PolarHBondContact O-N 2.92Å; E28-R40 IonicContact OE1-NH1 3.97Å; E28-R40 WeakPolarHBondContact OE2-CD 3.1Å; E28-R40 IonicContact OE2-CZ 2.81Å; E28-R40 IonicContact OE2-NH1 3.81Å; E28-R40 PolarHBondContact OE2-NH1 2.96Å; V30-R40 HydrophobicContact CG2-CB 3.44Å; V30-R40 VanDerWaalsContact CG2-CB 3.44Å; R40-E106 VanDerWaalsContact CD-OE1 3.24Å; R40-E106 WeakPolarHBondContact CD-OE1 3.47Å; R40-E106 WeakPolarHBondContact CG-OE2 3.4Å; R40-E106 IonicContact CZ-OE1 2.9Å; R40-E106 IonicContact NE-OE1 3.57Å; R40-E106 PolarHBondContact NE-OE1 3.19Å; R40-E106 IonicContact NE-OE2 3.81Å; R40-E106 IonicContact NH2-OE1 2.76Å
41	G	97.2	Very high	95.1	Very high	23 Å²	23	61 Å²	61	24%	0.237	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.3	-146.1	167.2	0	0	0	0	0	111.7	A48	G41-A48 PolarHBondContact N-O 3.08Å; G41-A48 PolarHBondContact O-N 2.84Å
42	R	97.4	Very high	95.3	Very high	168 Å²	168	56.3 Å²	56.3	63%	0.634	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.9	178.3	-71.2	-174.2	175.9	-98.9	-3.8	111.7	F23 G45 R46	F23-R42 WeakPolarHBondContact CZ-O 3.48Å; R42-G45 PolarHBondContact NH1-O 3.46Å; R42-R46 CarbonylContact C-O 3.57Å; R42-R46 VanDerWaalsContact CA-O 3.24Å; R42-R46 WeakPolarHBondContact CA-O 3.48Å
43	F	96.7	Very high	95.3	Very high	26 Å²	26	51.2 Å²	51.2	11%	0.114	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	118.9	170.8	-178.2	-105.7	0	0	0	109.3	F23 G45 R46 A48 F93 F94 Y103	F23-F43 HydrophobicContact CE1-CD2 4.21Å; F23-F43 HydrophobicContact CZ-CB 4.45Å; F23-F43 AromaticContact CZ-CD2 3.86Å; F23-F43 HydrophobicContact CZ-CD2 3.86Å; F43-G45 PolarHBondContact O-N 3.09Å; F43-R46 PolarHBondContact N-O 2.93Å; F43-R46 PolarHBondContact O-N 2.87Å; F43-A48 HydrophobicContact CB-CB 3.69Å; F43-F93 HydrophobicContact CD1-CB 3.81Å; F43-F93 HydrophobicContact CD1-CD2 4.19Å; F43-F93 HydrophobicContact CD1-CG 4.42Å; F43-F93 HydrophobicContact CE1-CB 3.99Å; F43-F94 HydrophobicContact CE1-CB 3.7Å; F43-F94 HydrophobicContact CZ-CB 3.63Å; F43-F94 HydrophobicContact CZ-CD1 4.06Å; F43-F94 HydrophobicContact CZ-CG 4.04Å; F43-Y103 HydrophobicContact CB-CD1 4.44Å; F43-Y103 AromaticContact CD2-CD1 3.6Å; F43-Y103 HydrophobicContact CD2-CD1 3.6Å; F43-Y103 AromaticContact CD2-CE1 3.9Å; F43-Y103 HydrophobicContact CD2-CE1 3.9Å; F43-Y103 HydrophobicContact CD2-CG 4.5Å; F43-Y103 AromaticContact CE2-CD1 3.9Å; F43-Y103 HydrophobicContact CE2-CD1 3.9Å; F43-Y103 HydrophobicContact CE2-CE1 4.05Å; F43-Y103 AromaticContact CG-CD1 3.95Å; F43-Y103 HydrophobicContact CG-CD1 3.95Å; F43-Y103 HydrophobicContact CZ-CD1 4.48Å
44	Q	94.6	Very high	95.4	Very high	165 Å²	165	51 Å²	51	77%	0.771	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	45.2	-175	-58.3	-173.9	38.3	0	0	112.9	R46	Q44-R46 PolarHBondContact O-N 3.49Å
45	G	95.1	Very high	95.5	Very high	53 Å²	53	51.9 Å²	51.9	55%	0.546	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	-5.9	179.6	0	0	0	0	0	115.6	R42 F43	R42-G45 PolarHBondContact NH1-O 3.46Å; F43-G45 PolarHBondContact O-N 3.09Å
46	R	97.2	Very high	95.6	Very high	132 Å²	132	50.8 Å²	50.8	50%	0.498	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	142.9	-178.1	-57	174.4	68	-178.8	3.3	111.3	R42 F43 Q44 A48 F93	R42-R46 CarbonylContact C-O 3.57Å; R42-R46 VanDerWaalsContact CA-O 3.24Å; R42-R46 WeakPolarHBondContact CA-O 3.48Å; F43-R46 PolarHBondContact N-O 2.93Å; F43-R46 PolarHBondContact O-N 2.87Å; Q44-R46 PolarHBondContact O-N 3.49Å; R46-A48 PolarHBondContact O-N 2.6Å; R46-F93 HydrophobicContact CB-CE2 4.07Å; R46-F93 HydrophobicContact CB-CZ 4.24Å
47	A	98	Very high	95.3	Very high	17 Å²	17	56.4 Å²	56.4	14%	0.14	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	126.7	171.7	0	0	0	0	0	109.8	F93 E106 E108	A47-F93 WeakPolarHBondContact O-CE2 3.46Å; A47-E106 HydrophobicContact CB-CB 4.06Å; A47-E106 PolarHBondContact O-N 3.26Å; A47-E108 HydrophobicContact CB-CG 4.23Å
48	A	98.3	Very high	95	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	141.6	-167.6	0	0	0	0	0	112.4	G41 F43 R46 F93 M104	G41-A48 PolarHBondContact N-O 3.08Å; G41-A48 PolarHBondContact O-N 2.84Å; F43-A48 HydrophobicContact CB-CB 3.69Å; R46-A48 PolarHBondContact O-N 2.6Å; A48-F93 HydrophobicContact CB-CD2 4.07Å; A48-F93 HydrophobicContact CB-CE2 3.93Å; A48-M104 CarbonylContact C-O 3.25Å; A48-M104 VanDerWaalsContact CA-O 3.23Å; A48-M104 WeakPolarHBondContact CA-O 3.43Å
49	V	98	Very high	94.7	Very high	31 Å²	31	61.3 Å²	61.3	19%	0.188	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	132.2	164	172.2	0	0	0	0	108.4	V38 F39 M104 E106	V38-V49 HydrophobicContact CG1-CG1 3.45Å; V38-V49 VanDerWaalsContact CG1-CG1 3.45Å; F39-V49 CarbonylContact O-C 3.56Å; F39-V49 VanDerWaalsContact O-CA 3.31Å; F39-V49 WeakPolarHBondContact O-CA 3.24Å; V49-M104 HydrophobicContact CB-CG 4.03Å; V49-M104 HydrophobicContact CG1-CG 4.38Å; V49-M104 PolarHBondContact N-O 3.11Å; V49-M104 WeakPolarHBondContact O-CG 3.47Å; V49-M104 PolarHBondContact O-N 3.19Å; V49-E106 HydrophobicContact CG2-CB 3.98Å; V49-E106 HydrophobicContact CG2-CG 4.11Å
50	V	97.8	Very high	94.4	Very high	1 Å²	1	66 Å²	66	1%	0.006	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	116.4	178.6	-168.5	0	0	0	0	109.7	L24 L27 V38 F39 C101 L102 Y103	L24-V50 HydrophobicContact CD2-CB 4.08Å; L24-V50 HydrophobicContact CD2-CG1 3.63Å; L27-V50 HydrophobicContact CD1-CB 4.16Å; L27-V50 HydrophobicContact CD1-CG2 3.73Å; V38-V50 WeakPolarHBondContact CA-O 3.49Å; F39-V50 HydrophobicContact CB-CB 4.39Å; F39-V50 PolarHBondContact N-O 2.96Å; F39-V50 PolarHBondContact O-N 3.3Å; V50-C101 HydrophobicContact CG1-CB 4.26Å; V50-L102 WeakPolarHBondContact CA-O 3.42Å; V50-Y103 HydrophobicContact CB-CD1 4.22Å; V50-Y103 HydrophobicContact CB-CE1 4.38Å; V50-Y103 HydrophobicContact CG1-CD1 3.74Å; V50-Y103 HydrophobicContact CG1-CD2 4.11Å; V50-Y103 HydrophobicContact CG1-CE1 3.65Å; V50-Y103 HydrophobicContact CG1-CE2 4.03Å; V50-Y103 HydrophobicContact CG1-CG 3.95Å; V50-Y103 HydrophobicContact CG2-CD1 3.41Å; V50-Y103 VanDerWaalsContact CG2-CD1 3.41Å; V50-Y103 HydrophobicContact CG2-CE1 3.77Å; V50-Y103 HydrophobicContact CG2-CG 4.12Å
51	K	96.9	Very high	94	Very high	14 Å²	14	66.6 Å²	66.6	6%	0.061	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	112.5	175.6	-173	174.6	-172.6	166.4	0	109.6	A36 R37 E75 C101 L102 M104 D174	A36-K51 HydrophobicContact CB-CG 3.93Å; R37-K51 WeakPolarHBondContact O-CA 3.13Å; K51-E75 VanDerWaalsContact CD-OE1 3.27Å; K51-E75 WeakPolarHBondContact CD-OE1 3.21Å; K51-E75 IonicContact NZ-OE1 2.96Å; K51-E75 PolarHBondContact NZ-OE1 2.89Å; K51-E75 IonicContact NZ-OE2 2.73Å; K51-E75 PolarHBondContact NZ-OE2 2.98Å; K51-C101 CarbonylContact O-C 3.56Å; K51-C101 VanDerWaalsContact O-CA 3.29Å; K51-C101 WeakPolarHBondContact O-CA 3.43Å; K51-L102 HydrophobicContact CB-CB 4.48Å; K51-L102 PolarHBondContact N-O 3.34Å; K51-L102 PolarHBondContact O-N 3.03Å; K51-M104 HydrophobicContact CB-CE 4.49Å; K51-D174 VanDerWaalsContact NZ-CG 3.28Å; K51-D174 IonicContact NZ-OD1 2.77Å; K51-D174 PolarHBondContact NZ-OD1 3.37Å; K51-D174 IonicContact NZ-OD2 3.57Å; K51-D174 PolarHBondContact NZ-OD2 2.98Å
52	H	96	Very high	93.6	Very high	29 Å²	29	72.5 Å²	72.5	13%	0.134	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	112.1	177.5	174.9	-162.7	0	0	0	110.4	L24 A36 R37 F39 F54 S99 C101	L24-H52 HydrophobicContact CD1-CB 3.86Å; L24-H52 VanDerWaalsContact CD1-ND1 3.32Å; L24-H52 WeakPolarHBondContact CD1-ND1 3.35Å; A36-H52 CarbonylContact C-O 3.4Å; A36-H52 VanDerWaalsContact CA-O 3.23Å; A36-H52 WeakPolarHBondContact CA-O 3.41Å; R37-H52 PolarHBondContact N-O 3.15Å; R37-H52 PolarHBondContact O-N 2.99Å; F39-H52 HydrophobicContact CD2-CB 4.41Å; F39-H52 HydrophobicContact CE2-CB 3.93Å; H52-F54 PolarHBondContact O-N 3.14Å; H52-S99 PolarHBondContact CD2-O 3.38Å; H52-S99 VanDerWaalsContact CD2-O 3.26Å; H52-C101 PolarHBondContact CD2-SG 2.95Å; H52-C101 VanDerWaalsContact CG-SG 3.59Å
53	R	94.2	Very high	93.3	Very high	12 Å²	12	67.6 Å²	67.6	5%	0.045	35%	0.352	C	S	.	.			trans	-85	97.9	172.5	-67.2	179.2	177.4	-78.5	-0.3	109.7	A36 R71 E75 N100	A36-R53 HydrophobicContact CB-CG 4.13Å; R53-R71 VanDerWaalsContact NH1-CZ 3.27Å; R53-E75 IonicContact CZ-OE2 3.13Å; R53-E75 IonicContact NE-OE2 3.27Å; R53-E75 IonicContact NH2-OE2 2.67Å; R53-E75 PolarHBondContact NH2-OE2 2.69Å; R53-N100 HydrophobicContact CB-CB 4.07Å; R53-N100 PolarHBondContact N-O 3.27Å
54	F	90.6	Very high	93	Very high	33 Å²	33	67 Å²	67	15%	0.145	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-78.3	144.2	-177.7	56.7	-92	0	0	0	111.3	A34 R37 H52 K56	A34-F54 WeakPolarHBondContact O-CZ 3.45Å; R37-F54 HydrophobicContact CG-CD1 4.1Å; R37-F54 HydrophobicContact CG-CE1 4.02Å; H52-F54 PolarHBondContact O-N 3.14Å; F54-K56 HydrophobicContact CE2-CD 4.29Å
55	P	88.7	Confident	92.6	Very high	92 Å²	92	61.6 Å²	61.6	60%	0.597	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-64.7	145.1	-178.4	27.2	-34.7	0	0	0	111.4	E64	P55-E64 WeakPolarHBondContact CA-OE1 3.36Å; P55-E64 HydrophobicContact CB-CG 3.76Å
56	K	88.4	Confident	92.3	Very high	47 Å²	47	67.4 Å²	67.4	20%	0.204	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-94.7	119.9	172.5	-70	-57.9	-160.8	171.6	0	110.4	A34 F54 Y58 R59	A34-K56 WeakPolarHBondContact O-CE 3.42Å; A34-K56 PolarHBondContact O-NZ 2.94Å; F54-K56 HydrophobicContact CE2-CD 4.29Å; K56-Y58 HydrophobicContact CB-CD1 3.72Å; K56-Y58 HydrophobicContact CB-CE1 3.41Å; K56-Y58 VanDerWaalsContact CB-CE1 3.41Å; K56-Y58 HydrophobicContact CB-CG 4.41Å; K56-Y58 HydrophobicContact CD-CD1 4.36Å; K56-Y58 HydrophobicContact CD-CE1 3.66Å; K56-Y58 HydrophobicContact CG-CD1 4.31Å; K56-Y58 HydrophobicContact CG-CE1 3.53Å; K56-Y58 PolarHBondContact O-N 3.06Å; K56-Y58 VanDerWaalsContact O-N 3.11Å; K56-R59 HydrophobicContact CB-CG 4.27Å; K56-R59 PolarHBondContact O-N 2.87Å
57	S	86.9	Confident	92	Very high	129 Å²	129	63.8 Å²	63.8	90%	0.902	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.4	-179.6	52.8	0	0	0	0	114.1	R59	S57-R59 VanDerWaalsContact C-N 3.34Å
58	Y	90.7	Very high	91.5	Very high	159 Å²	159	63.1 Å²	63.1	62%	0.624	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-11	178.3	69.8	-98.2	0	0	0	114.2	K56	K56-Y58 HydrophobicContact CB-CD1 3.72Å; K56-Y58 HydrophobicContact CB-CE1 3.41Å; K56-Y58 VanDerWaalsContact CB-CE1 3.41Å; K56-Y58 HydrophobicContact CB-CG 4.41Å; K56-Y58 HydrophobicContact CD-CD1 4.36Å; K56-Y58 HydrophobicContact CD-CE1 3.66Å; K56-Y58 HydrophobicContact CG-CD1 4.31Å; K56-Y58 HydrophobicContact CG-CE1 3.53Å; K56-Y58 PolarHBondContact O-N 3.06Å; K56-Y58 VanDerWaalsContact O-N 3.11Å
59	R	90.2	Very high	91.2	Very high	54 Å²	54	70.2 Å²	70.2	20%	0.204	35%	0.35	C	S	.	.	S	Bend	trans	-98.3	142	178.8	-69.1	171.5	-174.9	158.6	2.5	109.8	E35 K56 S57 E64	E35-R59 IonicContact OE1-NH2 2.82Å; K56-R59 HydrophobicContact CB-CG 4.27Å; K56-R59 PolarHBondContact O-N 2.87Å; S57-R59 VanDerWaalsContact C-N 3.34Å; R59-E64 HydrophobicContact CB-CB 4.18Å; R59-E64 WeakPolarHBondContact CD-OE2 3.34Å; R59-E64 IonicContact CZ-OE2 2.98Å; R59-E64 IonicContact NE-OE2 3.76Å; R59-E64 IonicContact NH1-OE1 3.75Å; R59-E64 IonicContact NH1-OE2 3.52Å; R59-E64 PolarHBondContact NH1-OE2 2.95Å
60	H	92.3	Very high	90.9	Very high	115 Å²	115	76.8 Å²	76.8	53%	0.532	37%	0.371	S	S	.	.			trans	-54.9	136.1	172.5	-169	-96.5	0	0	0	110.5	E62 L63 E64	H60-E62 VanDerWaalsContact C-N 3.27Å; H60-E62 IonicContact CE1-OE2 3.94Å; H60-E62 PolarHBondContact ND1-N 3.47Å; H60-E62 PolarHBondContact O-N 3.39Å; H60-E62 VanDerWaalsContact O-N 3.16Å; H60-L63 HydrophobicContact CB-CB 4.25Å; H60-L63 WeakPolarHBondContact O-CB 3.42Å; H60-L63 PolarHBondContact O-N 2.9Å; H60-E64 PolarHBondContact O-N 3.49Å
61	P	88.3	Confident	90.6	Very high	98 Å²	98	78.9 Å²	78.9	64%	0.636	38%	0.379	S	S	*	.	H	α-helix	trans	-53.2	-40.4	-174.3	-30	35.9	0	0	0	114.3	E64 A65	P61-E64 PolarHBondContact O-N 3.14Å; P61-A65 WeakPolarHBondContact O-CB 3.46Å; P61-A65 PolarHBondContact O-N 3.05Å
62	E	89.7	Confident	90.5	Very high	147 Å²	147	78.2 Å²	78.2	69%	0.687	38%	0.376	S	S	*	.	H	α-helix	trans	-66.8	-40.1	177.6	-63.2	177.2	-177.8	0	0	112.8	H60 R66	H60-E62 VanDerWaalsContact C-N 3.27Å; H60-E62 IonicContact CE1-OE2 3.94Å; H60-E62 PolarHBondContact ND1-N 3.47Å; H60-E62 PolarHBondContact O-N 3.39Å; H60-E62 VanDerWaalsContact O-N 3.16Å; E62-R66 WeakPolarHBondContact O-CB 3.31Å; E62-R66 PolarHBondContact O-N 3.13Å
63	L	90.3	Very high	90.4	Very high	66 Å²	66	78.1 Å²	78.1	35%	0.346	38%	0.377	S	S	.	.	H	α-helix	trans	-66.3	-43.9	177.4	178.6	63.2	0	0	0	110.1	H60 R66 L67	H60-L63 HydrophobicContact CB-CB 4.25Å; H60-L63 WeakPolarHBondContact O-CB 3.42Å; H60-L63 PolarHBondContact O-N 2.9Å; L63-R66 PolarHBondContact O-N 3.45Å; L63-L67 HydrophobicContact CD1-CD1 3.88Å; L63-L67 HydrophobicContact CD1-CG 3.99Å; L63-L67 HydrophobicContact CD2-CD1 4.4Å; L63-L67 HydrophobicContact CG-CD1 3.8Å; L63-L67 HydrophobicContact CG-CG 4.28Å; L63-L67 WeakPolarHBondContact O-CB 3.5Å; L63-L67 VanDerWaalsContact O-CG 3.29Å; L63-L67 WeakPolarHBondContact O-CG 3.28Å; L63-L67 PolarHBondContact O-N 2.67Å
64	E	89.9	Confident	90.4	Very high	14 Å²	14	80 Å²	80	7%	0.065	39%	0.387	C	S	.	.	H	α-helix	trans	-64.1	-45.4	178.3	-176.5	54.4	-154.6	0	0	111.6	P55 R59 H60 P61 R66 L67 G68	P55-E64 WeakPolarHBondContact CA-OE1 3.36Å; P55-E64 HydrophobicContact CB-CG 3.76Å; R59-E64 HydrophobicContact CB-CB 4.18Å; R59-E64 WeakPolarHBondContact CD-OE2 3.34Å; R59-E64 IonicContact CZ-OE2 2.98Å; R59-E64 IonicContact NE-OE2 3.76Å; R59-E64 IonicContact NH1-OE1 3.75Å; R59-E64 IonicContact NH1-OE2 3.52Å; R59-E64 PolarHBondContact NH1-OE2 2.95Å; H60-E64 PolarHBondContact O-N 3.49Å; P61-E64 PolarHBondContact O-N 3.14Å; E64-R66 VanDerWaalsContact C-N 3.3Å; E64-R66 PolarHBondContact O-N 3.03Å; E64-L67 PolarHBondContact O-N 2.97Å; E64-G68 PolarHBondContact O-N 3.28Å
65	A	87.2	Confident	90.7	Very high	50 Å²	50	78.6 Å²	78.6	41%	0.413	38%	0.381	S	S	.	.	H	α-helix	trans	-57.5	-44	175.5	0	0	0	0	0	111.5	P61 R69	P61-A65 WeakPolarHBondContact O-CB 3.46Å; P61-A65 PolarHBondContact O-N 3.05Å; A65-R69 VanDerWaalsContact O-CB 3.24Å; A65-R69 WeakPolarHBondContact O-CB 3.39Å; A65-R69 PolarHBondContact O-N 3.45Å
66	R	89.4	Confident	91.2	Very high	175 Å²	175	74.8 Å²	74.8	66%	0.66	36%	0.357	S	S	*	.	H	α-helix	trans	-66.8	-46	178	-171.9	175.8	66.7	176.4	-0.3	112.5	E62 L63 E64 R70	E62-R66 WeakPolarHBondContact O-CB 3.31Å; E62-R66 PolarHBondContact O-N 3.13Å; L63-R66 PolarHBondContact O-N 3.45Å; E64-R66 VanDerWaalsContact C-N 3.3Å; E64-R66 PolarHBondContact O-N 3.03Å; R66-R70 VanDerWaalsContact O-CB 3.26Å; R66-R70 WeakPolarHBondContact O-CB 3.32Å; R66-R70 PolarHBondContact O-N 3.35Å
67	L	89.6	Confident	91.6	Very high	56 Å²	56	81.2 Å²	81.2	29%	0.293	38%	0.38	S	S	.	.	H	α-helix	trans	-69.1	-47.3	-178.1	-72.9	176.5	0	0	0	112.1	L63 E64 R69 R70 R71	L63-L67 HydrophobicContact CD1-CD1 3.88Å; L63-L67 HydrophobicContact CD1-CG 3.99Å; L63-L67 HydrophobicContact CD2-CD1 4.4Å; L63-L67 HydrophobicContact CG-CD1 3.8Å; L63-L67 HydrophobicContact CG-CG 4.28Å; L63-L67 WeakPolarHBondContact O-CB 3.5Å; L63-L67 VanDerWaalsContact O-CG 3.29Å; L63-L67 WeakPolarHBondContact O-CG 3.28Å; L63-L67 PolarHBondContact O-N 2.67Å; E64-L67 PolarHBondContact O-N 2.97Å; L67-R69 PolarHBondContact O-N 3Å; L67-R70 PolarHBondContact O-N 3.09Å; L67-R71 WeakPolarHBondContact O-CG 3.19Å; L67-R71 PolarHBondContact O-N 2.7Å
68	G	88.9	Confident	92.2	Very high	4 Å²	4	75.2 Å²	75.2	4%	0.041	34%	0.339	C	S	.	.	H	α-helix	trans	-58.8	-47.3	178.6	0	0	0	0	0	111.6	E64 T72 N100	E64-G68 PolarHBondContact O-N 3.28Å; G68-T72 WeakPolarHBondContact O-CB 3.31Å; G68-T72 PolarHBondContact O-N 2.81Å; G68-T72 PolarHBondContact O-OG1 3.39Å; G68-N100 VanDerWaalsContact C-OD1 3.23Å
69	R	90.3	Very high	92.5	Very high	148 Å²	148	67.8 Å²	67.8	56%	0.558	31%	0.309	S	S	*	.	H	α-helix	trans	-62.9	-48.3	177.3	-173.7	178.3	179.8	-160.1	1.3	111.4	A65 L67 R71 T72 V73 Y97 N100	A65-R69 VanDerWaalsContact O-CB 3.24Å; A65-R69 WeakPolarHBondContact O-CB 3.39Å; A65-R69 PolarHBondContact O-N 3.45Å; L67-R69 PolarHBondContact O-N 3Å; R69-R71 PolarHBondContact O-N 3.26Å; R69-T72 PolarHBondContact O-N 2.84Å; R69-V73 HydrophobicContact CG-CG2 4.38Å; R69-V73 WeakPolarHBondContact O-CB 3.35Å; R69-V73 VanDerWaalsContact O-CG2 3.23Å; R69-V73 WeakPolarHBondContact O-CG2 3.33Å; R69-V73 PolarHBondContact O-N 2.98Å; R69-Y97 HydrophobicContact CG-CD1 4.29Å; R69-N100 WeakPolarHBondContact CA-OD1 3.28Å; R69-N100 PolarHBondContact N-OD1 3.07Å; R69-N100 VanDerWaalsContact N-OD1 3.14Å
70	R	91.9	Very high	92.9	Very high	169 Å²	169	69.2 Å²	69.2	64%	0.638	32%	0.321	S	S	*	.	H	α-helix	trans	-57	-49.3	-180	178.7	179.2	169.7	178.5	-0.3	111.4	R66 L67 V73 Q74	R66-R70 VanDerWaalsContact O-CB 3.26Å; R66-R70 WeakPolarHBondContact O-CB 3.32Å; R66-R70 PolarHBondContact O-N 3.35Å; L67-R70 PolarHBondContact O-N 3.09Å; R70-V73 PolarHBondContact O-N 3.42Å; R70-Q74 WeakPolarHBondContact O-CB 3.39Å; R70-Q74 PolarHBondContact O-N 2.84Å
71	R	92.3	Very high	93.2	Very high	45 Å²	45	68.1 Å²	68.1	17%	0.17	31%	0.312	C	S	.	.	H	α-helix	trans	-66.6	-40.9	-178.1	-70.9	-177.2	71.3	-173.8	-0.3	112.4	E35 R53 L67 R69 Q74 E75 G176 L177	E35-R71 IonicContact OE1-CZ 2.7Å; E35-R71 IonicContact OE1-NH1 3.93Å; E35-R71 PolarHBondContact OE1-NH1 2.79Å; E35-R71 IonicContact OE2-CZ 2.89Å; E35-R71 IonicContact OE2-NH1 3.84Å; E35-R71 PolarHBondContact OE2-NH1 3.28Å; E35-R71 IonicContact OE2-NH2 3.7Å; E35-R71 PolarHBondContact OE2-NH2 2.99Å; R53-R71 VanDerWaalsContact NH1-CZ 3.27Å; L67-R71 WeakPolarHBondContact O-CG 3.19Å; L67-R71 PolarHBondContact O-N 2.7Å; R69-R71 PolarHBondContact O-N 3.26Å; R71-Q74 PolarHBondContact O-N 3.2Å; R71-E75 WeakPolarHBondContact O-CB 3.41Å; R71-E75 PolarHBondContact O-N 3.41Å; R71-G176 PolarHBondContact NE-O 3.41Å; R71-G176 VanDerWaalsContact NE-O 3.14Å; R71-G176 PolarHBondContact NH2-O 2.75Å; R71-G176 VanDerWaalsContact NH2-O 3.12Å; R71-L177 VanDerWaalsContact NH2-CD2 3.31Å
72	T	94.4	Very high	93.6	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-45	176.9	-55.7	0	0	0	0	111.6	G68 R69 A76 V95 L102	G68-T72 WeakPolarHBondContact O-CB 3.31Å; G68-T72 PolarHBondContact O-N 2.81Å; G68-T72 PolarHBondContact O-OG1 3.39Å; R69-T72 PolarHBondContact O-N 2.84Å; T72-A76 PolarHBondContact O-N 2.98Å; T72-A76 VanDerWaalsContact O-N 3.14Å; T72-V95 HydrophobicContact CG2-CG1 3.69Å; T72-L102 HydrophobicContact CG2-CB 4.36Å
73	V	94	Very high	94	Very high	26 Å²	26	61.8 Å²	61.8	16%	0.158	27%	0.269	C	S	.	.	H	α-helix	trans	-63.1	-44.1	174.8	172.1	0	0	0	0	111.4	R69 R70 A76 R77 Y97	R69-V73 HydrophobicContact CG-CG2 4.38Å; R69-V73 WeakPolarHBondContact O-CB 3.35Å; R69-V73 VanDerWaalsContact O-CG2 3.23Å; R69-V73 WeakPolarHBondContact O-CG2 3.33Å; R69-V73 PolarHBondContact O-N 2.98Å; R70-V73 PolarHBondContact O-N 3.42Å; V73-A76 PolarHBondContact O-N 2.83Å; V73-R77 HydrophobicContact CG1-CG 4.36Å; V73-R77 WeakPolarHBondContact O-CB 3.39Å; V73-R77 VanDerWaalsContact O-CG 3.29Å; V73-R77 WeakPolarHBondContact O-CG 3.33Å; V73-R77 PolarHBondContact O-N 3.27Å; V73-Y97 HydrophobicContact CG2-CD1 4Å; V73-Y97 HydrophobicContact CG2-CE1 3.39Å
74	Q	95.2	Very high	94.4	Very high	52 Å²	52	68.3 Å²	68.3	24%	0.243	29%	0.289	C	S	.	.	H	α-helix	trans	-64.1	-44.6	-176.8	-176.3	163.5	0.7	0	0	111.5	R70 R71 R77 A78 S178 F179	R70-Q74 WeakPolarHBondContact O-CB 3.39Å; R70-Q74 PolarHBondContact O-N 2.84Å; R71-Q74 PolarHBondContact O-N 3.2Å; Q74-R77 PolarHBondContact O-N 3.28Å; Q74-A78 WeakPolarHBondContact O-CB 3.08Å; Q74-A78 PolarHBondContact O-N 3.44Å; Q74-S178 VanDerWaalsContact CG-O 3.29Å; Q74-S178 WeakPolarHBondContact CG-O 3.43Å; Q74-S178 PolarHBondContact NE2-O 2.88Å; Q74-F179 VanDerWaalsContact NE2-CB 3.34Å
75	E	97.1	Very high	94.7	Very high	3 Å²	3	69.5 Å²	69.5	1%	0.014	30%	0.301	C	S	.	.	H	α-helix	trans	-62	-46.3	175.4	-171.8	168.8	179.4	0	0	111.6	K51 R53 R71 R77 A78 L79 L102 F175	K51-E75 VanDerWaalsContact CD-OE1 3.27Å; K51-E75 WeakPolarHBondContact CD-OE1 3.21Å; K51-E75 IonicContact NZ-OE1 2.96Å; K51-E75 PolarHBondContact NZ-OE1 2.89Å; K51-E75 IonicContact NZ-OE2 2.73Å; K51-E75 PolarHBondContact NZ-OE2 2.98Å; R53-E75 IonicContact CZ-OE2 3.13Å; R53-E75 IonicContact NE-OE2 3.27Å; R53-E75 IonicContact NH2-OE2 2.67Å; R53-E75 PolarHBondContact NH2-OE2 2.69Å; R71-E75 WeakPolarHBondContact O-CB 3.41Å; R71-E75 PolarHBondContact O-N 3.41Å; E75-R77 VanDerWaalsContact C-N 3.31Å; E75-R77 PolarHBondContact O-N 3.23Å; E75-A78 PolarHBondContact O-N 2.77Å; E75-L79 WeakPolarHBondContact O-CG 3.48Å; E75-L79 PolarHBondContact O-N 3.3Å; E75-L102 HydrophobicContact CB-CD2 4.04Å; E75-L102 HydrophobicContact CG-CD2 3.62Å; E75-F175 HydrophobicContact CG-CB 4.07Å
76	A	98	Very high	95.2	Very high	13 Å²	13	70.5 Å²	70.5	11%	0.107	32%	0.317	C	S	.	.	H	α-helix	trans	-60.1	-40.4	175.9	0	0	0	0	0	112.6	T72 V73 L80 V92 V95 L102	T72-A76 PolarHBondContact O-N 2.98Å; T72-A76 VanDerWaalsContact O-N 3.14Å; V73-A76 PolarHBondContact O-N 2.83Å; A76-L80 PolarHBondContact O-N 3.42Å; A76-L80 VanDerWaalsContact O-N 3.13Å; A76-V92 HydrophobicContact CB-CG1 4.5Å; A76-V92 HydrophobicContact CB-CG2 4.39Å; A76-V95 HydrophobicContact CB-CG2 3.86Å; A76-L102 HydrophobicContact CB-CD1 3.83Å
77	R	97.8	Very high	95.6	Very high	181 Å²	181	63.1 Å²	63.1	68%	0.683	29%	0.29	S	S	*	.	H	α-helix	trans	-68.7	-38.2	177.4	-74.9	176.3	178.8	-177.7	-0.2	112.3	V73 Q74 E75 L80 R81	V73-R77 HydrophobicContact CG1-CG 4.36Å; V73-R77 WeakPolarHBondContact O-CB 3.39Å; V73-R77 VanDerWaalsContact O-CG 3.29Å; V73-R77 WeakPolarHBondContact O-CG 3.33Å; V73-R77 PolarHBondContact O-N 3.27Å; Q74-R77 PolarHBondContact O-N 3.28Å; E75-R77 VanDerWaalsContact C-N 3.31Å; E75-R77 PolarHBondContact O-N 3.23Å; R77-L80 PolarHBondContact O-N 2.66Å; R77-R81 WeakPolarHBondContact O-CB 3.12Å; R77-R81 PolarHBondContact O-N 2.9Å
78	A	98.3	Very high	96	Very high	4 Å²	4	61.6 Å²	61.6	3%	0.033	29%	0.286	C	S	.	.	H	α-helix	trans	-63.6	-47.2	176.8	0	0	0	0	0	111.3	Q74 E75 L80 R81 C82 L149 F175 S178	Q74-A78 WeakPolarHBondContact O-CB 3.08Å; Q74-A78 PolarHBondContact O-N 3.44Å; E75-A78 PolarHBondContact O-N 2.77Å; A78-L80 VanDerWaalsContact C-N 3.35Å; A78-L80 PolarHBondContact O-N 3.47Å; A78-R81 WeakPolarHBondContact O-CB 3.49Å; A78-R81 PolarHBondContact O-N 2.88Å; A78-R81 VanDerWaalsContact O-N 3.1Å; A78-C82 PolarHBondContact O-N 2.81Å; A78-L149 HydrophobicContact CB-CD1 3.92Å; A78-L149 HydrophobicContact CB-CD2 4.34Å; A78-F175 HydrophobicContact CB-CB 3.68Å; A78-F175 HydrophobicContact CB-CD1 3.71Å; A78-F175 HydrophobicContact CB-CG 3.8Å; A78-S178 WeakPolarHBondContact CB-OG 3.37Å
79	L	98.5	Very high	96.5	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-55.8	-48.2	174.2	-70.2	171.5	0	0	0	111.7	E75 R81 C82 R83 A89 P90 V92 L102 M104 F175	E75-L79 WeakPolarHBondContact O-CG 3.48Å; E75-L79 PolarHBondContact O-N 3.3Å; L79-R81 VanDerWaalsContact C-N 3.31Å; L79-R81 PolarHBondContact O-N 3.33Å; L79-C82 PolarHBondContact O-N 2.71Å; L79-R83 WeakPolarHBondContact O-CG 3.22Å; L79-R83 PolarHBondContact O-N 3Å; L79-R83 VanDerWaalsContact O-N 3.08Å; L79-A89 HydrophobicContact CD2-CB 3.9Å; L79-P90 HydrophobicContact CD2-CB 4.49Å; L79-P90 HydrophobicContact CD2-CG 4.35Å; L79-V92 HydrophobicContact CB-CG2 3.92Å; L79-V92 HydrophobicContact CD1-CG2 3.61Å; L79-V92 HydrophobicContact CG-CG2 4.43Å; L79-L102 HydrophobicContact CD1-CD2 4.08Å; L79-M104 HydrophobicContact CD1-CE 4.18Å; L79-M104 HydrophobicContact CD1-SD 4.46Å; L79-F175 HydrophobicContact CD2-CD2 3.61Å; L79-F175 HydrophobicContact CD2-CE2 3.98Å; L79-F175 HydrophobicContact CG-CD2 4.21Å
80	L	97.9	Very high	96.9	Very high	85 Å²	85	54.5 Å²	54.5	45%	0.445	26%	0.258	S	S	.	.	H	α-helix	trans	-62.5	-37.8	177.3	-178.9	60.6	0	0	0	112.3	A76 R77 A78 R83 R84	A76-L80 PolarHBondContact O-N 3.42Å; A76-L80 VanDerWaalsContact O-N 3.13Å; R77-L80 PolarHBondContact O-N 2.66Å; A78-L80 VanDerWaalsContact C-N 3.35Å; A78-L80 PolarHBondContact O-N 3.47Å; L80-R83 PolarHBondContact O-N 3.32Å; L80-R84 HydrophobicContact CD1-CG 4.34Å; L80-R84 WeakPolarHBondContact O-CB 3.36Å; L80-R84 WeakPolarHBondContact O-CG 3.41Å; L80-R84 PolarHBondContact O-N 3Å
81	R	98.1	Very high	97.2	Very high	92 Å²	92	48.3 Å²	48.3	35%	0.347	24%	0.239	S	C	.	.	H	α-helix	trans	-65.5	-45	178.1	-170.3	174.7	-171.9	103.1	-1.5	111.5	R77 A78 L79 R83 R84 A85 Q147	R77-R81 WeakPolarHBondContact O-CB 3.12Å; R77-R81 PolarHBondContact O-N 2.9Å; A78-R81 WeakPolarHBondContact O-CB 3.49Å; A78-R81 PolarHBondContact O-N 2.88Å; A78-R81 VanDerWaalsContact O-N 3.1Å; L79-R81 VanDerWaalsContact C-N 3.31Å; L79-R81 PolarHBondContact O-N 3.33Å; R81-R83 PolarHBondContact O-N 2.75Å; R81-R84 PolarHBondContact O-N 3.47Å; R81-A85 PolarHBondContact O-N 3.25Å; R81-A85 VanDerWaalsContact O-N 3.17Å; R81-Q147 PolarHBondContact NE-O 3.15Å; R81-Q147 PolarHBondContact NH2-O 3.3Å
82	C	97.9	Very high	97.4	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.007	24%	0.244	C	C	.	.	H	α-helix	trans	-54.9	-53	172.5	-78	0	0	0	0	111.2	A78 L79 R84 A85 G86 I87 A89 L149 F175	A78-C82 PolarHBondContact O-N 2.81Å; L79-C82 PolarHBondContact O-N 2.71Å; C82-R84 VanDerWaalsContact C-N 3.35Å; C82-R84 PolarHBondContact O-N 3.46Å; C82-A85 CarbonylContact O-C 3.39Å; C82-A85 WeakPolarHBondContact O-CA 3.5Å; C82-A85 PolarHBondContact O-N 3.41Å; C82-G86 PolarHBondContact O-N 3.05Å; C82-I87 CarbonylContact C-O 3.53Å; C82-I87 VanDerWaalsContact C-O 3.25Å; C82-I87 HydrophobicContact CB-CB 4.02Å; C82-I87 HydrophobicContact CB-CG2 4.2Å; C82-I87 WeakPolarHBondContact O-CB 3.48Å; C82-I87 PolarHBondContact O-N 2.88Å; C82-A89 HydrophobicContact CB-CB 3.78Å; C82-L149 WeakPolarHBondContact SG-CD2 3.46Å; C82-F175 WeakPolarHBondContact SG-CZ 3.45Å
83	R	98	Very high	97.6	Very high	110 Å²	110	50.1 Å²	50.1	42%	0.415	25%	0.252	S	S	.	.	H	α-helix	trans	-61.5	-40.9	-177.7	-69.2	-162.8	69	96.3	0.2	113	L79 L80 R81 A85 G86 I87 A89 E105	L79-R83 WeakPolarHBondContact O-CG 3.22Å; L79-R83 PolarHBondContact O-N 3Å; L79-R83 VanDerWaalsContact O-N 3.08Å; L80-R83 PolarHBondContact O-N 3.32Å; R81-R83 PolarHBondContact O-N 2.75Å; R83-A85 PolarHBondContact O-N 3.33Å; R83-G86 PolarHBondContact O-N 2.94Å; R83-G86 VanDerWaalsContact O-N 3.08Å; R83-I87 PolarHBondContact N-O 2.96Å; R83-A89 WeakPolarHBondContact CD-O 3.24Å; R83-A89 HydrophobicContact CG-CB 4.27Å; R83-A89 PolarHBondContact NH1-O 2.7Å; R83-E105 IonicContact NH1-OE2 2.73Å
84	R	97.6	Very high	97.7	Very high	204 Å²	204	53.3 Å²	53.3	77%	0.77	26%	0.264	S	S	*	.	H	α-helix	trans	-62.6	-28.1	175.7	-77.4	179	175.9	-175.1	-1.3	113	L80 R81 C82 G86	L80-R84 HydrophobicContact CD1-CG 4.34Å; L80-R84 WeakPolarHBondContact O-CB 3.36Å; L80-R84 WeakPolarHBondContact O-CG 3.41Å; L80-R84 PolarHBondContact O-N 3Å; R81-R84 PolarHBondContact O-N 3.47Å; C82-R84 VanDerWaalsContact C-N 3.35Å; C82-R84 PolarHBondContact O-N 3.46Å; R84-G86 VanDerWaalsContact C-N 3.32Å
85	A	96.5	Very high	97.8	Very high	38 Å²	38	52 Å²	52	31%	0.314	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	5.6	176.6	0	0	0	0	0	113.8	R81 C82 R83 I87 Q147	R81-A85 PolarHBondContact O-N 3.25Å; R81-A85 VanDerWaalsContact O-N 3.17Å; C82-A85 CarbonylContact O-C 3.39Å; C82-A85 WeakPolarHBondContact O-CA 3.5Å; C82-A85 PolarHBondContact O-N 3.41Å; R83-A85 PolarHBondContact O-N 3.33Å; A85-I87 VanDerWaalsContact C-N 3.25Å; A85-I87 HydrophobicContact CB-CD1 4.19Å; A85-I87 HydrophobicContact CB-CG1 4.37Å; A85-I87 PolarHBondContact O-N 2.79Å; A85-Q147 HydrophobicContact CB-CG 3.46Å; A85-Q147 VanDerWaalsContact CB-CG 3.46Å
86	G	97.2	Very high	97.6	Very high	72 Å²	72	52.4 Å²	52.4	74%	0.742	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	10.2	-176.5	0	0	0	0	0	114.3	C82 R83 R84	C82-G86 PolarHBondContact O-N 3.05Å; R83-G86 PolarHBondContact O-N 2.94Å; R83-G86 VanDerWaalsContact O-N 3.08Å; R84-G86 VanDerWaalsContact C-N 3.32Å
87	I	98.1	Very high	97.2	Very high	19 Å²	19	57.4 Å²	57.4	10%	0.097	28%	0.279	C	S	.	.			trans	-86.4	124.4	175	-57.8	164.3	0	0	0	108	C82 R83 A85 A89 V140 M144 L172	C82-I87 CarbonylContact C-O 3.53Å; C82-I87 VanDerWaalsContact C-O 3.25Å; C82-I87 HydrophobicContact CB-CB 4.02Å; C82-I87 HydrophobicContact CB-CG2 4.2Å; C82-I87 WeakPolarHBondContact O-CB 3.48Å; C82-I87 PolarHBondContact O-N 2.88Å; R83-I87 PolarHBondContact N-O 2.96Å; A85-I87 VanDerWaalsContact C-N 3.25Å; A85-I87 HydrophobicContact CB-CD1 4.19Å; A85-I87 HydrophobicContact CB-CG1 4.37Å; A85-I87 PolarHBondContact O-N 2.79Å; I87-A89 PolarHBondContact O-N 2.99Å; I87-V140 HydrophobicContact CG2-CG1 4.19Å; I87-M144 VanDerWaalsContact CD1-CA 3.45Å; I87-M144 HydrophobicContact CD1-CB 3.96Å; I87-L172 HydrophobicContact CG2-CD1 3.94Å; I87-L172 HydrophobicContact CG2-CG 4.38Å
88	A	98.3	Very high	96.8	Very high	24 Å²	24	49.6 Å²	49.6	20%	0.198	25%	0.252	C	S	.	.			trans	-66.8	124.2	-179.1	0	0	0	0	0	110.8	H169 V171 L172	A88-H169 WeakPolarHBondContact CB-NE2 3.5Å; A88-V171 HydrophobicContact CB-CB 4.41Å; A88-V171 HydrophobicContact CB-CG1 4.44Å; A88-V171 HydrophobicContact CB-CG2 3.99Å; A88-V171 WeakPolarHBondContact O-CA 3.22Å; A88-L172 PolarHBondContact O-N 3.4Å
89	A	98.4	Very high	96.4	Very high	1 Å²	1	50 Å²	50	1%	0.008	26%	0.255	C	S	.	.			trans	-152.5	154.8	176.3	0	0	0	0	0	108.5	L79 C82 R83 I87 V91	L79-A89 HydrophobicContact CD2-CB 3.9Å; C82-A89 HydrophobicContact CB-CB 3.78Å; R83-A89 WeakPolarHBondContact CD-O 3.24Å; R83-A89 HydrophobicContact CG-CB 4.27Å; R83-A89 PolarHBondContact NH1-O 2.7Å; I87-A89 PolarHBondContact O-N 2.99Å; A89-V91 PolarHBondContact O-N 2.98Å
90	P	98.5	Very high	96.2	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.019	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-51	137	177.8	-27.3	31.4	0	0	0	113.7	L79 V92 M104 E105 I107 L172 I173	L79-P90 HydrophobicContact CD2-CB 4.49Å; L79-P90 HydrophobicContact CD2-CG 4.35Å; P90-V92 PolarHBondContact O-N 3.42Å; P90-M104 HydrophobicContact CB-CB 3.96Å; P90-M104 HydrophobicContact CB-CG 4.15Å; P90-M104 HydrophobicContact CB-SD 4.01Å; P90-M104 HydrophobicContact CG-SD 4.14Å; P90-E105 HydrophobicContact CB-CB 4.36Å; P90-I107 HydrophobicContact CB-CD1 4.26Å; P90-I107 HydrophobicContact CG-CD1 3.99Å; P90-I107 HydrophobicContact CG-CG1 4.12Å; P90-L172 VanDerWaalsContact CD-O 3.27Å; P90-L172 WeakPolarHBondContact CD-O 3.26Å; P90-I173 HydrophobicContact CG-CG2 3.88Å
91	V	98.2	Very high	96.1	Very high	39 Å²	39	46.5 Å²	46.5	24%	0.236	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-67.2	128.6	167.4	176.8	0	0	0	0	109.4	A89 F93 M104 E105	A89-V91 PolarHBondContact O-N 2.98Å; V91-F93 HydrophobicContact CB-CD1 4.4Å; V91-F93 HydrophobicContact CB-CE1 3.98Å; V91-F93 HydrophobicContact CG1-CD1 3.95Å; V91-F93 HydrophobicContact CG1-CE1 3.91Å; V91-F93 PolarHBondContact O-N 3.06Å; V91-M104 CarbonylContact O-C 3.56Å; V91-M104 WeakPolarHBondContact O-CA 3.35Å; V91-E105 HydrophobicContact CB-CB 4.11Å; V91-E105 WeakPolarHBondContact CG2-OE2 3.41Å; V91-E105 PolarHBondContact N-OE2 3.22Å; V91-E105 PolarHBondContact O-N 3.44Å
92	V	98.2	Very high	96.1	Very high	45 Å²	45	42.2 Å²	42.2	27%	0.273	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	121.6	170.3	178.4	0	0	0	0	109.1	A76 L79 P90 V95 L102	A76-V92 HydrophobicContact CB-CG1 4.5Å; A76-V92 HydrophobicContact CB-CG2 4.39Å; L79-V92 HydrophobicContact CB-CG2 3.92Å; L79-V92 HydrophobicContact CD1-CG2 3.61Å; L79-V92 HydrophobicContact CG-CG2 4.43Å; P90-V92 PolarHBondContact O-N 3.42Å; V92-V95 HydrophobicContact CG1-CG2 3.73Å; V92-L102 HydrophobicContact CG1-CD1 3.73Å; V92-L102 HydrophobicContact CG2-CD1 4.29Å
93	F	97.8	Very high	96.1	Very high	38 Å²	38	42.5 Å²	42.5	17%	0.167	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-43.8	176.6	-60.6	-23	0	0	0	112.1	F43 R46 A47 A48 V91 Y103 E105	F43-F93 HydrophobicContact CD1-CB 3.81Å; F43-F93 HydrophobicContact CD1-CD2 4.19Å; F43-F93 HydrophobicContact CD1-CG 4.42Å; F43-F93 HydrophobicContact CE1-CB 3.99Å; R46-F93 HydrophobicContact CB-CE2 4.07Å; R46-F93 HydrophobicContact CB-CZ 4.24Å; A47-F93 WeakPolarHBondContact O-CE2 3.46Å; A48-F93 HydrophobicContact CB-CD2 4.07Å; A48-F93 HydrophobicContact CB-CE2 3.93Å; V91-F93 HydrophobicContact CB-CD1 4.4Å; V91-F93 HydrophobicContact CB-CE1 3.98Å; V91-F93 HydrophobicContact CG1-CD1 3.95Å; V91-F93 HydrophobicContact CG1-CE1 3.91Å; V91-F93 PolarHBondContact O-N 3.06Å; F93-Y103 PolarHBondContact N-O 3Å; F93-E105 HydrophobicContact CE1-CB 4Å; F93-E105 HydrophobicContact CE2-CB 4.45Å; F93-E105 HydrophobicContact CZ-CB 3.69Å; F93-E105 HydrophobicContact CZ-CG 4.36Å
94	F	96.8	Very high	96.1	Very high	93 Å²	93	38 Å²	38	41%	0.408	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	147.1	-176.3	178.9	-123.1	0	0	0	111	F43 D96 Y103	F43-F94 HydrophobicContact CE1-CB 3.7Å; F43-F94 HydrophobicContact CZ-CB 3.63Å; F43-F94 HydrophobicContact CZ-CD1 4.06Å; F43-F94 HydrophobicContact CZ-CG 4.04Å; F94-D96 HydrophobicContact CD1-CB 4.31Å; F94-D96 HydrophobicContact CE1-CB 3.66Å; F94-D96 HydrophobicContact CZ-CB 4.22Å; F94-Y103 HydrophobicContact CB-CD2 4.15Å; F94-Y103 HydrophobicContact CB-CG 4.21Å; F94-Y103 AromaticContact CD1-CD2 3.61Å; F94-Y103 HydrophobicContact CD1-CD2 3.61Å; F94-Y103 AromaticContact CD1-CE2 3.7Å; F94-Y103 HydrophobicContact CD1-CE2 3.7Å; F94-Y103 HydrophobicContact CD1-CG 4.27Å; F94-Y103 HydrophobicContact CE1-CE2 4.21Å; F94-Y103 HydrophobicContact CG-CD2 4.31Å; F94-Y103 PolarHBondContact N-O 3.46Å; F94-Y103 WeakPolarHBondContact O-CB 3.42Å; F94-Y103 PolarHBondContact O-N 2.89Å
95	V	96.3	Very high	96.2	Very high	24 Å²	24	30.1 Å²	30.1	15%	0.145	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	108	175.1	-168	0	0	0	0	108	T72 A76 V92 Y97 L102	T72-V95 HydrophobicContact CG2-CG1 3.69Å; A76-V95 HydrophobicContact CB-CG2 3.86Å; V92-V95 HydrophobicContact CG1-CG2 3.73Å; V95-Y97 HydrophobicContact CB-CE1 4.14Å; V95-Y97 HydrophobicContact CG1-CD1 3.92Å; V95-Y97 HydrophobicContact CG1-CE1 3.37Å; V95-Y97 PolarHBondContact O-N 3.29Å; V95-L102 HydrophobicContact CG2-CD1 3.83Å
96	D	94.1	Very high	96.3	Very high	12 Å²	12	30 Å²	30	6%	0.064	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	102.5	175.1	179	5.2	0	0	0	109.8	S20 F94 A98 S99 N100 C101 Y103	S20-D96 WeakPolarHBondContact CB-OD2 3.39Å; S20-D96 PolarHBondContact OG-OD2 3.01Å; F94-D96 HydrophobicContact CD1-CB 4.31Å; F94-D96 HydrophobicContact CE1-CB 3.66Å; F94-D96 HydrophobicContact CZ-CB 4.22Å; D96-A98 VanDerWaalsContact C-N 3.33Å; D96-A98 WeakPolarHBondContact OD1-CA 3.3Å; D96-A98 VanDerWaalsContact OD1-CB 3.3Å; D96-A98 WeakPolarHBondContact OD1-CB 3.44Å; D96-A98 PolarHBondContact OD1-N 3.28Å; D96-S99 PolarHBondContact OD1-N 2.87Å; D96-S99 WeakPolarHBondContact OD2-CB 3.4Å; D96-S99 PolarHBondContact OD2-OG 3.09Å; D96-N100 CarbonylContact O-C 3.6Å; D96-N100 VanDerWaalsContact O-CA 3.27Å; D96-N100 WeakPolarHBondContact O-CA 3.45Å; D96-N100 PolarHBondContact O-N 2.79Å; D96-C101 HydrophobicContact CB-CB 4.02Å; D96-C101 PolarHBondContact N-O 3.09Å; D96-C101 PolarHBondContact O-N 3.13Å; D96-Y103 HydrophobicContact CB-CE2 3.97Å
97	Y	89.2	Confident	96.3	Very high	119 Å²	119	27.3 Å²	27.3	47%	0.467	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-21.6	176.8	-56.2	-59.9	0	0	0	113.7	R69 V73 V95	R69-Y97 HydrophobicContact CG-CD1 4.29Å; V73-Y97 HydrophobicContact CG2-CD1 4Å; V73-Y97 HydrophobicContact CG2-CE1 3.39Å; V95-Y97 HydrophobicContact CB-CE1 4.14Å; V95-Y97 HydrophobicContact CG1-CD1 3.92Å; V95-Y97 HydrophobicContact CG1-CE1 3.37Å; V95-Y97 PolarHBondContact O-N 3.29Å
98	A	88.1	Confident	96.2	Very high	16 Å²	16	32 Å²	32	13%	0.132	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-40.7	-179.5	0	0	0	0	0	111	L13 A16 R17 D96	L13-A98 HydrophobicContact CD1-CB 3.52Å; A16-A98 HydrophobicContact CB-CB 3.75Å; R17-A98 HydrophobicContact CG-CB 4.49Å; R17-A98 WeakPolarHBondContact CG-O 3.39Å; R17-A98 PolarHBondContact NE-O 3.13Å; D96-A98 VanDerWaalsContact C-N 3.33Å; D96-A98 WeakPolarHBondContact OD1-CA 3.3Å; D96-A98 VanDerWaalsContact OD1-CB 3.3Å; D96-A98 WeakPolarHBondContact OD1-CB 3.44Å; D96-A98 PolarHBondContact OD1-N 3.28Å
99	S	91.6	Very high	96.1	Very high	12 Å²	12	36.9 Å²	36.9	8%	0.084	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	7.3	-176.7	-36.4	0	0	0	0	113.6	R17 S20 H52 D96 C101	R17-S99 WeakPolarHBondContact CA-OG 3.39Å; S20-S99 WeakPolarHBondContact CB-OG 3.32Å; S20-S99 PolarHBondContact OG-OG 3.35Å; H52-S99 PolarHBondContact CD2-O 3.38Å; H52-S99 VanDerWaalsContact CD2-O 3.26Å; D96-S99 PolarHBondContact OD1-N 2.87Å; D96-S99 WeakPolarHBondContact OD2-CB 3.4Å; D96-S99 PolarHBondContact OD2-OG 3.09Å; S99-C101 VanDerWaalsContact C-N 3.25Å; S99-C101 PolarHBondContact O-N 3.4Å; S99-C101 PolarHBondContact O-SG 3.36Å; S99-C101 VanDerWaalsContact O-SG 3.34Å
100	N	93.9	Very high	96.1	Very high	15 Å²	15	38.5 Å²	38.5	8%	0.08	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	47.4	-175.7	-60.8	-49.1	0	0	0	112.5	R53 G68 R69 D96	R53-N100 HydrophobicContact CB-CB 4.07Å; R53-N100 PolarHBondContact N-O 3.27Å; G68-N100 VanDerWaalsContact C-OD1 3.23Å; R69-N100 WeakPolarHBondContact CA-OD1 3.28Å; R69-N100 PolarHBondContact N-OD1 3.07Å; R69-N100 VanDerWaalsContact N-OD1 3.14Å; D96-N100 CarbonylContact O-C 3.6Å; D96-N100 VanDerWaalsContact O-CA 3.27Å; D96-N100 WeakPolarHBondContact O-CA 3.45Å; D96-N100 PolarHBondContact O-N 2.79Å
101	C	96.2	Very high	96.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	134.6	178.4	-64.6	0	0	0	0	110.7	V50 K51 H52 D96 S99 Y103	V50-C101 HydrophobicContact CG1-CB 4.26Å; K51-C101 CarbonylContact O-C 3.56Å; K51-C101 VanDerWaalsContact O-CA 3.29Å; K51-C101 WeakPolarHBondContact O-CA 3.43Å; H52-C101 PolarHBondContact CD2-SG 2.95Å; H52-C101 VanDerWaalsContact CG-SG 3.59Å; D96-C101 HydrophobicContact CB-CB 4.02Å; D96-C101 PolarHBondContact N-O 3.09Å; D96-C101 PolarHBondContact O-N 3.13Å; S99-C101 VanDerWaalsContact C-N 3.25Å; S99-C101 PolarHBondContact O-N 3.4Å; S99-C101 PolarHBondContact O-SG 3.36Å; S99-C101 VanDerWaalsContact O-SG 3.34Å; C101-Y103 HydrophobicContact CB-CD2 4.26Å; C101-Y103 HydrophobicContact CB-CE2 3.54Å
102	L	97.5	Very high	96.1	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	115.3	174.1	-177.6	59.9	0	0	0	109.2	V50 K51 T72 E75 A76 L79 V92 V95 M104	V50-L102 WeakPolarHBondContact CA-O 3.42Å; K51-L102 HydrophobicContact CB-CB 4.48Å; K51-L102 PolarHBondContact N-O 3.34Å; K51-L102 PolarHBondContact O-N 3.03Å; T72-L102 HydrophobicContact CG2-CB 4.36Å; E75-L102 HydrophobicContact CB-CD2 4.04Å; E75-L102 HydrophobicContact CG-CD2 3.62Å; A76-L102 HydrophobicContact CB-CD1 3.83Å; L79-L102 HydrophobicContact CD1-CD2 4.08Å; V92-L102 HydrophobicContact CG1-CD1 3.73Å; V92-L102 HydrophobicContact CG2-CD1 4.29Å; V95-L102 HydrophobicContact CG2-CD1 3.83Å; L102-M104 HydrophobicContact CB-CE 4.28Å; L102-M104 HydrophobicContact CD2-CE 3.45Å; L102-M104 VanDerWaalsContact CD2-CE 3.45Å; L102-M104 HydrophobicContact CG-CE 3.61Å
103	Y	98	Very high	96.1	Very high	6 Å²	6	37.5 Å²	37.5	2%	0.024	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	123	179.5	-60.8	-111	0	0	0	108.1	F23 F43 V50 F93 F94 D96 C101	F23-Y103 AromaticContact CD1-CE1 3.77Å; F23-Y103 HydrophobicContact CD1-CE1 3.77Å; F23-Y103 HydrophobicContact CE1-CD1 4.27Å; F23-Y103 AromaticContact CE1-CE1 3.54Å; F23-Y103 HydrophobicContact CE1-CE1 3.54Å; F23-Y103 HydrophobicContact CZ-CE1 4.5Å; F43-Y103 HydrophobicContact CB-CD1 4.44Å; F43-Y103 AromaticContact CD2-CD1 3.6Å; F43-Y103 HydrophobicContact CD2-CD1 3.6Å; F43-Y103 AromaticContact CD2-CE1 3.9Å; F43-Y103 HydrophobicContact CD2-CE1 3.9Å; F43-Y103 HydrophobicContact CD2-CG 4.5Å; F43-Y103 AromaticContact CE2-CD1 3.9Å; F43-Y103 HydrophobicContact CE2-CD1 3.9Å; F43-Y103 HydrophobicContact CE2-CE1 4.05Å; F43-Y103 AromaticContact CG-CD1 3.95Å; F43-Y103 HydrophobicContact CG-CD1 3.95Å; F43-Y103 HydrophobicContact CZ-CD1 4.48Å; V50-Y103 HydrophobicContact CB-CD1 4.22Å; V50-Y103 HydrophobicContact CB-CE1 4.38Å; V50-Y103 HydrophobicContact CG1-CD1 3.74Å; V50-Y103 HydrophobicContact CG1-CD2 4.11Å; V50-Y103 HydrophobicContact CG1-CE1 3.65Å; V50-Y103 HydrophobicContact CG1-CE2 4.03Å; V50-Y103 HydrophobicContact CG1-CG 3.95Å; V50-Y103 HydrophobicContact CG2-CD1 3.41Å; V50-Y103 VanDerWaalsContact CG2-CD1 3.41Å; V50-Y103 HydrophobicContact CG2-CE1 3.77Å; V50-Y103 HydrophobicContact CG2-CG 4.12Å; F93-Y103 PolarHBondContact N-O 3Å; F94-Y103 HydrophobicContact CB-CD2 4.15Å; F94-Y103 HydrophobicContact CB-CG 4.21Å; F94-Y103 AromaticContact CD1-CD2 3.61Å; F94-Y103 HydrophobicContact CD1-CD2 3.61Å; F94-Y103 AromaticContact CD1-CE2 3.7Å; F94-Y103 HydrophobicContact CD1-CE2 3.7Å; F94-Y103 HydrophobicContact CD1-CG 4.27Å; F94-Y103 HydrophobicContact CE1-CE2 4.21Å; F94-Y103 HydrophobicContact CG-CD2 4.31Å; F94-Y103 PolarHBondContact N-O 3.46Å; F94-Y103 WeakPolarHBondContact O-CB 3.42Å; F94-Y103 PolarHBondContact O-N 2.89Å; D96-Y103 HydrophobicContact CB-CE2 3.97Å; C101-Y103 HydrophobicContact CB-CD2 4.26Å; C101-Y103 HydrophobicContact CB-CE2 3.54Å
104	M	98.4	Very high	96.1	Very high	15 Å²	15	41.4 Å²	41.4	7%	0.074	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	163.3	-175.4	64.7	-174.9	76.4	0	0	111.8	A48 V49 K51 L79 P90 V91 L102 E106	A48-M104 CarbonylContact C-O 3.25Å; A48-M104 VanDerWaalsContact CA-O 3.23Å; A48-M104 WeakPolarHBondContact CA-O 3.43Å; V49-M104 HydrophobicContact CB-CG 4.03Å; V49-M104 HydrophobicContact CG1-CG 4.38Å; V49-M104 PolarHBondContact N-O 3.11Å; V49-M104 WeakPolarHBondContact O-CG 3.47Å; V49-M104 PolarHBondContact O-N 3.19Å; K51-M104 HydrophobicContact CB-CE 4.49Å; L79-M104 HydrophobicContact CD1-CE 4.18Å; L79-M104 HydrophobicContact CD1-SD 4.46Å; P90-M104 HydrophobicContact CB-CB 3.96Å; P90-M104 HydrophobicContact CB-CG 4.15Å; P90-M104 HydrophobicContact CB-SD 4.01Å; P90-M104 HydrophobicContact CG-SD 4.14Å; V91-M104 CarbonylContact O-C 3.56Å; V91-M104 WeakPolarHBondContact O-CA 3.35Å; L102-M104 HydrophobicContact CB-CE 4.28Å; L102-M104 HydrophobicContact CD2-CE 3.45Å; L102-M104 VanDerWaalsContact CD2-CE 3.45Å; L102-M104 HydrophobicContact CG-CE 3.61Å; M104-E106 PolarHBondContact O-N 3.42Å
105	E	98.5	Very high	96.2	Very high	40 Å²	40	40.9 Å²	40.9	19%	0.187	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	128.3	171	-179.8	-172.7	178.7	0	0	110.8	R83 P90 V91 F93 I107 R162	R83-E105 IonicContact NH1-OE2 2.73Å; P90-E105 HydrophobicContact CB-CB 4.36Å; V91-E105 HydrophobicContact CB-CB 4.11Å; V91-E105 WeakPolarHBondContact CG2-OE2 3.41Å; V91-E105 PolarHBondContact N-OE2 3.22Å; V91-E105 PolarHBondContact O-N 3.44Å; F93-E105 HydrophobicContact CE1-CB 4Å; F93-E105 HydrophobicContact CE2-CB 4.45Å; F93-E105 HydrophobicContact CZ-CB 3.69Å; F93-E105 HydrophobicContact CZ-CG 4.36Å; E105-I107 HydrophobicContact CG-CD1 4.18Å; E105-R162 IonicContact OE1-CZ 3.31Å; E105-R162 IonicContact OE1-NH2 3.9Å; E105-R162 PolarHBondContact OE1-NH2 3.08Å; E105-R162 IonicContact OE2-NH2 3.15Å
106	E	98.1	Very high	96.3	Very high	36 Å²	36	41.7 Å²	41.7	17%	0.168	20%	0.204	C	C	.	.			trans	-72.1	129.3	161	-179.9	167.5	-163	0	0	109.4	R40 A47 V49 M104 E108	R40-E106 VanDerWaalsContact CD-OE1 3.24Å; R40-E106 WeakPolarHBondContact CD-OE1 3.47Å; R40-E106 WeakPolarHBondContact CG-OE2 3.4Å; R40-E106 IonicContact CZ-OE1 2.9Å; R40-E106 IonicContact NE-OE1 3.57Å; R40-E106 PolarHBondContact NE-OE1 3.19Å; R40-E106 IonicContact NE-OE2 3.81Å; R40-E106 IonicContact NH2-OE1 2.76Å; A47-E106 HydrophobicContact CB-CB 4.06Å; A47-E106 PolarHBondContact O-N 3.26Å; V49-E106 HydrophobicContact CG2-CB 3.98Å; V49-E106 HydrophobicContact CG2-CG 4.11Å; M104-E106 PolarHBondContact O-N 3.42Å; E106-E108 VanDerWaalsContact C-N 3.29Å; E106-E108 HydrophobicContact CG-CG 4.16Å; E106-E108 PolarHBondContact O-N 3.37Å
107	I	97.9	Very high	96.4	Very high	14 Å²	14	41.2 Å²	41.2	7%	0.072	20%	0.202	C	C	.	.			trans	-84.7	80.6	176.1	-49.2	-60.2	0	0	0	108.5	P90 E105 S110 L160 R162 V171	P90-I107 HydrophobicContact CB-CD1 4.26Å; P90-I107 HydrophobicContact CG-CD1 3.99Å; P90-I107 HydrophobicContact CG-CG1 4.12Å; E105-I107 HydrophobicContact CG-CD1 4.18Å; I107-S110 PolarHBondContact O-OG 3.38Å; I107-L160 HydrophobicContact CB-CD1 3.64Å; I107-L160 HydrophobicContact CG1-CD1 3.88Å; I107-L160 HydrophobicContact CG2-CD1 4.02Å; I107-R162 HydrophobicContact CG2-CG 3.68Å; I107-V171 HydrophobicContact CD1-CG1 3.96Å; I107-V171 HydrophobicContact CG1-CG1 4.14Å; I107-V171 HydrophobicContact CG2-CG2 4.23Å
108	E	96.7	Very high	96.8	Very high	117 Å²	117	39.8 Å²	39.8	55%	0.547	20%	0.199	S	C	.	.			trans	-59.6	156.2	178.2	-64.3	177.4	113.3	0	0	111.6	A47 E106 S110	A47-E108 HydrophobicContact CB-CG 4.23Å; E106-E108 VanDerWaalsContact C-N 3.29Å; E106-E108 HydrophobicContact CG-CG 4.16Å; E106-E108 PolarHBondContact O-N 3.37Å; E108-S110 VanDerWaalsContact C-N 3.3Å; E108-S110 PolarHBondContact O-N 2.88Å
109	D	96.6	Very high	97.2	Very high	127 Å²	127	41.8 Å²	41.8	68%	0.679	21%	0.212	S	C	*	.	S	Bend	trans	50.6	45.2	179	-60.6	-44.6	0	0	0	114.3	R163	D109-R163 HydrophobicContact CB-CB 4.42Å; D109-R163 WeakPolarHBondContact O-CB 3.48Å; D109-R163 WeakPolarHBondContact O-CG 3.42Å; D109-R163 PolarHBondContact O-N 3.38Å
110	S	97.8	Very high	97.3	Very high	35 Å²	35	42.2 Å²	42.2	25%	0.245	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	159.9	179.4	72.4	0	0	0	0	113.3	I107 E108 L161	I107-S110 PolarHBondContact O-OG 3.38Å; E108-S110 VanDerWaalsContact C-N 3.3Å; E108-S110 PolarHBondContact O-N 2.88Å; S110-L161 WeakPolarHBondContact CA-O 3.43Å; S110-L161 WeakPolarHBondContact CB-O 3.35Å
111	V	98	Very high	97.3	Very high	37 Å²	37	43.3 Å²	43.3	22%	0.224	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	155.4	171.7	-61.2	0	0	0	0	108.9	L160 L161 L165	V111-L160 CarbonylContact O-C 3.46Å; V111-L160 WeakPolarHBondContact O-CA 3.49Å; V111-L161 HydrophobicContact CG2-CB 4.25Å; V111-L161 PolarHBondContact N-O 3.08Å; V111-L161 VanDerWaalsContact N-O 3.09Å; V111-L161 PolarHBondContact O-N 3.44Å; V111-L165 HydrophobicContact CG2-CD2 3.79Å
112	T	98.3	Very high	97.2	Very high	30 Å²	30	49.1 Å²	49.1	18%	0.184	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	148.8	172.7	72.4	0	0	0	0	110.2	R114 D115 Y116 M159 L160	T112-R114 PolarHBondContact O-N 3.43Å; T112-D115 PolarHBondContact O-N 3.01Å; T112-D115 WeakPolarHBondContact OG1-CB 3.46Å; T112-D115 PolarHBondContact OG1-N 3.27Å; T112-D115 PolarHBondContact OG1-OD2 3.48Å; T112-Y116 PolarHBondContact O-N 3.15Å; T112-M159 CarbonylContact C-O 3.49Å; T112-M159 WeakPolarHBondContact CA-O 3.4Å; T112-L160 HydrophobicContact CG2-CD2 3.9Å
113	V	98.6	Very high	97	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.1	-33	172.3	169.7	0	0	0	0	110	I117 L133 M137 T156 M159 L161	V113-I117 HydrophobicContact CG1-CD1 3.68Å; V113-I117 HydrophobicContact CG1-CG1 4.26Å; V113-I117 WeakPolarHBondContact O-CB 3.43Å; V113-I117 VanDerWaalsContact O-CG1 3.24Å; V113-I117 WeakPolarHBondContact O-CG1 3.32Å; V113-I117 PolarHBondContact O-N 3.36Å; V113-L133 HydrophobicContact CG1-CD1 4.36Å; V113-L133 HydrophobicContact CG1-CD2 4.08Å; V113-M137 HydrophobicContact CG1-SD 4.09Å; V113-T156 WeakPolarHBondContact CB-O 3.2Å; V113-T156 HydrophobicContact CG1-CG2 3.88Å; V113-T156 PolarHBondContact N-O 3.15Å; V113-M159 HydrophobicContact CB-CB 3.94Å; V113-M159 HydrophobicContact CG2-CB 3.46Å; V113-M159 VanDerWaalsContact CG2-CB 3.46Å; V113-M159 PolarHBondContact N-O 2.98Å; V113-L161 HydrophobicContact CG2-CD1 4.13Å; V113-L161 HydrophobicContact CG2-CD2 4.45Å; V113-L161 HydrophobicContact CG2-CG 3.8Å
114	R	98.5	Very high	96.6	Very high	120 Å²	120	59.6 Å²	59.6	45%	0.453	30%	0.303	S	S	.	.	H	α-helix	trans	-56.3	-56.5	172.4	173.4	-171.4	156.3	-166.2	-7.8	111.5	T112 Y116 I117 Q118 T156 S157 T201 H202	T112-R114 PolarHBondContact O-N 3.43Å; R114-Y116 VanDerWaalsContact C-N 3.29Å; R114-Y116 PolarHBondContact O-N 3.45Å; R114-I117 PolarHBondContact O-N 3.36Å; R114-Q118 PolarHBondContact O-N 3.19Å; R114-T156 PolarHBondContact N-O 3.37Å; R114-S157 WeakPolarHBondContact CD-OG 3.45Å; R114-T201 HydrophobicContact CG-CG2 3.92Å; R114-H202 PolarHBondContact O-CE1 3.14Å
115	D	97.9	Very high	96	Very high	81 Å²	81	67.1 Å²	67.1	43%	0.433	34%	0.335	S	S	.	.	H	α-helix	trans	-66.6	-36.2	-175.5	-58.3	-33.5	0	0	0	111	T112 Q118 S119	T112-D115 PolarHBondContact O-N 3.01Å; T112-D115 WeakPolarHBondContact OG1-CB 3.46Å; T112-D115 PolarHBondContact OG1-N 3.27Å; T112-D115 PolarHBondContact OG1-OD2 3.48Å; D115-Q118 PolarHBondContact O-N 2.9Å; D115-S119 WeakPolarHBondContact O-CB 3.23Å; D115-S119 PolarHBondContact O-N 3.44Å; D115-S119 PolarHBondContact O-OG 3.43Å
116	Y	98	Very high	95.6	Very high	41 Å²	41	69.1 Å²	69.1	16%	0.161	35%	0.347	C	S	.	.	H	α-helix	trans	-59.5	-51	173.3	178.8	-93.2	0	0	0	111.9	T112 R114 Q118 S119 T120 L133 L161 L165	T112-Y116 PolarHBondContact O-N 3.15Å; R114-Y116 VanDerWaalsContact C-N 3.29Å; R114-Y116 PolarHBondContact O-N 3.45Å; Y116-Q118 VanDerWaalsContact C-N 3.33Å; Y116-Q118 PolarHBondContact O-N 3.46Å; Y116-S119 PolarHBondContact O-N 3.5Å; Y116-S119 PolarHBondContact O-OG 3.26Å; Y116-T120 WeakPolarHBondContact O-CB 3.43Å; Y116-T120 PolarHBondContact O-N 3.01Å; Y116-T120 PolarHBondContact O-OG1 3.47Å; Y116-L133 HydrophobicContact CD1-CD2 3.71Å; Y116-L133 HydrophobicContact CE1-CD2 3.87Å; Y116-L161 HydrophobicContact CD1-CD1 3.66Å; Y116-L161 HydrophobicContact CD2-CD1 3.9Å; Y116-L161 HydrophobicContact CE1-CD1 4.24Å; Y116-L161 HydrophobicContact CE2-CD1 4.43Å; Y116-L161 HydrophobicContact CG-CD1 3.46Å; Y116-L161 VanDerWaalsContact CG-CD1 3.46Å; Y116-L165 HydrophobicContact CD2-CB 4.47Å; Y116-L165 HydrophobicContact CD2-CD1 3.96Å; Y116-L165 HydrophobicContact CD2-CD2 4.45Å; Y116-L165 HydrophobicContact CE2-CB 3.95Å; Y116-L165 HydrophobicContact CE2-CD1 4.01Å; Y116-L165 HydrophobicContact CE2-CG 4.44Å
117	I	97.8	Very high	95.2	Very high	2 Å²	2	68.4 Å²	68.4	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-58.4	-47.9	178.3	-71.1	166.3	0	0	0	110.1	V113 R114 S119 T120 M121 L130 L133 T156 F198 H202	V113-I117 HydrophobicContact CG1-CD1 3.68Å; V113-I117 HydrophobicContact CG1-CG1 4.26Å; V113-I117 WeakPolarHBondContact O-CB 3.43Å; V113-I117 VanDerWaalsContact O-CG1 3.24Å; V113-I117 WeakPolarHBondContact O-CG1 3.32Å; V113-I117 PolarHBondContact O-N 3.36Å; R114-I117 PolarHBondContact O-N 3.36Å; I117-S119 PolarHBondContact O-N 3.15Å; I117-T120 PolarHBondContact O-N 2.79Å; I117-M121 HydrophobicContact CG2-CG 4.21Å; I117-M121 WeakPolarHBondContact O-CB 3.38Å; I117-M121 WeakPolarHBondContact O-CG 3.42Å; I117-M121 PolarHBondContact O-N 3.28Å; I117-L130 HydrophobicContact CG1-CD1 4.43Å; I117-L130 HydrophobicContact CG1-CD2 4.19Å; I117-L130 HydrophobicContact CG2-CD1 3.75Å; I117-L130 HydrophobicContact CG2-CD2 4.45Å; I117-L133 HydrophobicContact CD1-CD2 4.05Å; I117-L133 HydrophobicContact CG1-CD2 3.63Å; I117-T156 HydrophobicContact CD1-CG2 3.99Å; I117-F198 HydrophobicContact CD1-CE2 3.78Å; I117-F198 HydrophobicContact CD1-CZ 4.2Å; I117-H202 HydrophobicContact CG2-CB 4.11Å; I117-H202 VanDerWaalsContact CG2-ND1 3.34Å; I117-H202 WeakPolarHBondContact CG2-ND1 3.24Å
118	Q	96.4	Very high	94.9	Very high	90 Å²	90	72.3 Å²	72.3	42%	0.421	36%	0.364	S	S	.	.	H	α-helix	trans	-56.2	-53.5	178.9	-176.3	65	34.2	0	0	111.3	R114 D115 Y116 T120 M121 E122	R114-Q118 PolarHBondContact O-N 3.19Å; D115-Q118 PolarHBondContact O-N 2.9Å; Y116-Q118 VanDerWaalsContact C-N 3.33Å; Y116-Q118 PolarHBondContact O-N 3.46Å; Q118-T120 VanDerWaalsContact C-N 3.3Å; Q118-T120 PolarHBondContact O-N 3.04Å; Q118-M121 PolarHBondContact O-N 3.47Å; Q118-E122 PolarHBondContact NE2-OE1 3.36Å; Q118-E122 WeakPolarHBondContact O-CG 3.27Å; Q118-E122 PolarHBondContact O-N 2.93Å
119	S	95.8	Very high	94.7	Very high	57 Å²	57	69.1 Å²	69.1	40%	0.399	35%	0.354	S	S	.	.	H	α-helix	trans	-63.6	-34.5	-178.9	67.1	0	0	0	0	113.5	D115 Y116 I117 T123	D115-S119 WeakPolarHBondContact O-CB 3.23Å; D115-S119 PolarHBondContact O-N 3.44Å; D115-S119 PolarHBondContact O-OG 3.43Å; Y116-S119 PolarHBondContact O-N 3.5Å; Y116-S119 PolarHBondContact O-OG 3.26Å; I117-S119 PolarHBondContact O-N 3.15Å; S119-T123 PolarHBondContact O-N 3.33Å; S119-T123 PolarHBondContact O-OG1 2.86Å
120	T	95.1	Very high	94.7	Very high	21 Å²	21	63.2 Å²	63.2	13%	0.129	32%	0.322	C	S	.	.	H	α-helix	trans	-72	-43.2	179.8	-51.1	0	0	0	0	109.9	Y116 I117 Q118 E122 T123 E124 C129 L130	Y116-T120 WeakPolarHBondContact O-CB 3.43Å; Y116-T120 PolarHBondContact O-N 3.01Å; Y116-T120 PolarHBondContact O-OG1 3.47Å; I117-T120 PolarHBondContact O-N 2.79Å; Q118-T120 VanDerWaalsContact C-N 3.3Å; Q118-T120 PolarHBondContact O-N 3.04Å; T120-E122 PolarHBondContact O-N 2.75Å; T120-T123 PolarHBondContact O-N 3.35Å; T120-E124 HydrophobicContact CG2-CG 4.05Å; T120-E124 WeakPolarHBondContact O-CB 3.38Å; T120-E124 PolarHBondContact O-N 3.34Å; T120-C129 HydrophobicContact CG2-CB 4.33Å; T120-C129 WeakPolarHBondContact CG2-SG 3.44Å; T120-L130 HydrophobicContact CG2-CD2 4.19Å
121	M	94.1	Very high	94.7	Very high	39 Å²	39	62.9 Å²	62.9	19%	0.192	32%	0.318	C	S	.	.	H	α-helix	trans	-67.7	-33.7	178.2	-73.1	-57.7	-59.9	0	0	113.1	I117 Q118 T123 K125 P127 L130	I117-M121 HydrophobicContact CG2-CG 4.21Å; I117-M121 WeakPolarHBondContact O-CB 3.38Å; I117-M121 WeakPolarHBondContact O-CG 3.42Å; I117-M121 PolarHBondContact O-N 3.28Å; Q118-M121 PolarHBondContact O-N 3.47Å; M121-T123 VanDerWaalsContact C-N 3.26Å; M121-T123 PolarHBondContact O-N 3.36Å; M121-K125 VanDerWaalsContact O-CA 3.29Å; M121-K125 WeakPolarHBondContact O-CA 3.46Å; M121-K125 PolarHBondContact O-N 3.31Å; M121-K125 VanDerWaalsContact O-N 3.09Å; M121-P127 HydrophobicContact CE-CB 4.35Å; M121-P127 HydrophobicContact CE-CG 3.73Å; M121-P127 HydrophobicContact SD-CB 4.43Å; M121-P127 HydrophobicContact SD-CG 4.43Å; M121-L130 HydrophobicContact CG-CD1 3.97Å; M121-L130 HydrophobicContact SD-CD1 3.78Å; M121-L130 HydrophobicContact SD-CG 4.17Å
122	E	93.5	Very high	94.7	Very high	122 Å²	122	65.6 Å²	65.6	57%	0.57	33%	0.331	S	S	*	.	H	α-helix	trans	-63.6	-33.6	172.9	-76	172.1	-175.7	0	0	112.4	Q118 T120	Q118-E122 PolarHBondContact NE2-OE1 3.36Å; Q118-E122 WeakPolarHBondContact O-CG 3.27Å; Q118-E122 PolarHBondContact O-N 2.93Å; T120-E122 PolarHBondContact O-N 2.75Å
123	T	92.8	Very high	94.7	Very high	108 Å²	108	64.3 Å²	64.3	66%	0.663	32%	0.323	S	S	*	.	H	α-helix	trans	-87.4	-55.4	-176.6	-53	0	0	0	0	112.2	S119 T120 M121	S119-T123 PolarHBondContact O-N 3.33Å; S119-T123 PolarHBondContact O-OG1 2.86Å; T120-T123 PolarHBondContact O-N 3.35Å; M121-T123 VanDerWaalsContact C-N 3.26Å; M121-T123 PolarHBondContact O-N 3.36Å
124	E	90.4	Very high	94.7	Very high	120 Å²	120	64.4 Å²	64.4	56%	0.561	32%	0.324	S	S	*	.	H	α-helix	trans	-84.2	-28.2	-172.1	-61.6	-62	154.9	0	0	112.7	T120 D126 C129	T120-E124 HydrophobicContact CG2-CG 4.05Å; T120-E124 WeakPolarHBondContact O-CB 3.38Å; T120-E124 PolarHBondContact O-N 3.34Å; E124-D126 PolarHBondContact O-N 3.43Å; E124-C129 HydrophobicContact CB-CB 4.21Å; E124-C129 HydrophobicContact CG-CB 4.13Å
125	K	85.4	Confident	94.8	Very high	172 Å²	172	64.2 Å²	64.2	75%	0.748	32%	0.323	S	S	*	.			trans	56.2	5.4	-177.2	-54.1	-177.5	-174.8	179.1	0	115.9	M121	M121-K125 VanDerWaalsContact O-CA 3.29Å; M121-K125 WeakPolarHBondContact O-CA 3.46Å; M121-K125 PolarHBondContact O-N 3.31Å; M121-K125 VanDerWaalsContact O-N 3.09Å
126	D	90.4	Very high	94.8	Very high	82 Å²	82	64.9 Å²	64.9	44%	0.439	32%	0.32	S	S	.	.			trans	-118.2	116.2	176.6	-176.8	-1.4	0	0	0	110.5	E124 Q128 C129	E124-D126 PolarHBondContact O-N 3.43Å; D126-Q128 PolarHBondContact O-N 2.58Å; D126-Q128 WeakPolarHBondContact OD1-CB 3.49Å; D126-Q128 VanDerWaalsContact OD1-CG 3.25Å; D126-Q128 WeakPolarHBondContact OD1-CG 3.34Å; D126-Q128 PolarHBondContact OD1-N 3.47Å; D126-C129 PolarHBondContact O-N 2.98Å; D126-C129 VanDerWaalsContact O-N 3.13Å; D126-C129 PolarHBondContact O-SG 3.33Å
127	P	89.2	Confident	94.8	Very high	22 Å²	22	63 Å²	63	14%	0.143	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-55.5	-19.2	175.2	-23	32.2	0	0	0	114.9	M121 C129 L130 H204	M121-P127 HydrophobicContact CE-CB 4.35Å; M121-P127 HydrophobicContact CE-CG 3.73Å; M121-P127 HydrophobicContact SD-CB 4.43Å; M121-P127 HydrophobicContact SD-CG 4.43Å; P127-C129 PolarHBondContact O-N 3.32Å; P127-L130 WeakPolarHBondContact O-CB 3.49Å; P127-L130 PolarHBondContact O-N 2.93Å; P127-H204 WeakPolarHBondContact CG-O 3.48Å
128	Q	91.5	Very high	94.9	Very high	96 Å²	96	63 Å²	63	45%	0.449	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-59.5	-27.3	176.1	-65.4	-64.6	-66.2	0	0	112.9	D126 L130 L131	D126-Q128 PolarHBondContact O-N 2.58Å; D126-Q128 WeakPolarHBondContact OD1-CB 3.49Å; D126-Q128 VanDerWaalsContact OD1-CG 3.25Å; D126-Q128 WeakPolarHBondContact OD1-CG 3.34Å; D126-Q128 PolarHBondContact OD1-N 3.47Å; Q128-L130 PolarHBondContact O-N 2.89Å; Q128-L130 VanDerWaalsContact O-N 3.17Å; Q128-L131 WeakPolarHBondContact O-CB 3.4Å; Q128-L131 VanDerWaalsContact O-CG 3.23Å; Q128-L131 WeakPolarHBondContact O-CG 3.48Å; Q128-L131 PolarHBondContact O-N 3.36Å; Q128-L131 VanDerWaalsContact OE1-CD1 3.27Å
129	C	93.3	Very high	95	Very high	50 Å²	50	63.1 Å²	63.1	34%	0.338	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-63.8	-19.4	176	70.8	0	0	0	0	113.1	T120 E124 D126 P127	T120-C129 HydrophobicContact CG2-CB 4.33Å; T120-C129 WeakPolarHBondContact CG2-SG 3.44Å; E124-C129 HydrophobicContact CB-CB 4.21Å; E124-C129 HydrophobicContact CG-CB 4.13Å; D126-C129 PolarHBondContact O-N 2.98Å; D126-C129 VanDerWaalsContact O-N 3.13Å; D126-C129 PolarHBondContact O-SG 3.33Å; P127-C129 PolarHBondContact O-N 3.32Å
130	L	97	Very high	95.1	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.01	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-88.4	-3.4	-178.8	-56.9	179.1	0	0	0	113.5	I117 T120 M121 P127 Q128 D132 L133 A134 T205 A208	I117-L130 HydrophobicContact CG1-CD1 4.43Å; I117-L130 HydrophobicContact CG1-CD2 4.19Å; I117-L130 HydrophobicContact CG2-CD1 3.75Å; I117-L130 HydrophobicContact CG2-CD2 4.45Å; T120-L130 HydrophobicContact CG2-CD2 4.19Å; M121-L130 HydrophobicContact CG-CD1 3.97Å; M121-L130 HydrophobicContact SD-CD1 3.78Å; M121-L130 HydrophobicContact SD-CG 4.17Å; P127-L130 WeakPolarHBondContact O-CB 3.49Å; P127-L130 PolarHBondContact O-N 2.93Å; Q128-L130 PolarHBondContact O-N 2.89Å; Q128-L130 VanDerWaalsContact O-N 3.17Å; L130-D132 VanDerWaalsContact C-N 3.33Å; L130-D132 PolarHBondContact O-N 3.41Å; L130-L133 WeakPolarHBondContact O-CB 3.47Å; L130-L133 PolarHBondContact O-N 2.85Å; L130-A134 WeakPolarHBondContact O-CB 3.31Å; L130-A134 PolarHBondContact O-N 2.81Å; L130-T205 HydrophobicContact CD1-CG2 3.94Å; L130-A208 HydrophobicContact CB-CB 4Å
131	L	97.8	Very high	95.3	Very high	29 Å²	29	60.3 Å²	60.3	15%	0.152	29%	0.293	C	S	.	.	H	α-helix	trans	-60.9	-38.7	-172.6	-70.6	-178.9	0	0	0	113.4	Q128 A134 R135 A211	Q128-L131 WeakPolarHBondContact O-CB 3.4Å; Q128-L131 VanDerWaalsContact O-CG 3.23Å; Q128-L131 WeakPolarHBondContact O-CG 3.48Å; Q128-L131 PolarHBondContact O-N 3.36Å; Q128-L131 VanDerWaalsContact OE1-CD1 3.27Å; L131-A134 PolarHBondContact O-N 2.98Å; L131-R135 WeakPolarHBondContact O-CG 3.48Å; L131-R135 PolarHBondContact O-N 2.94Å; L131-A211 HydrophobicContact CD2-CB 3.54Å
132	D	97.9	Very high	95.5	Very high	93 Å²	93	58.4 Å²	58.4	50%	0.497	28%	0.284	S	S	.	.	H	α-helix	trans	-70.5	-38.4	179.1	-72.1	-27.9	0	0	0	112.1	L130 R135 R136 L168	L130-D132 VanDerWaalsContact C-N 3.33Å; L130-D132 PolarHBondContact O-N 3.41Å; D132-R135 PolarHBondContact O-N 3.24Å; D132-R135 IonicContact OD1-CZ 3.72Å; D132-R135 IonicContact OD1-NH1 2.68Å; D132-R135 PolarHBondContact OD1-NH1 3.31Å; D132-R136 WeakPolarHBondContact O-CB 3.45Å; D132-R136 PolarHBondContact O-N 2.84Å; D132-L168 HydrophobicContact CB-CD1 3.73Å
133	L	98.4	Very high	95.7	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.016	27%	0.269	C	S	.	.	H	α-helix	trans	-61.5	-48	171.9	172.3	64.5	0	0	0	110.7	V113 Y116 I117 L130 R135 R136 M137 L161 L168 I170	V113-L133 HydrophobicContact CG1-CD1 4.36Å; V113-L133 HydrophobicContact CG1-CD2 4.08Å; Y116-L133 HydrophobicContact CD1-CD2 3.71Å; Y116-L133 HydrophobicContact CE1-CD2 3.87Å; I117-L133 HydrophobicContact CD1-CD2 4.05Å; I117-L133 HydrophobicContact CG1-CD2 3.63Å; L130-L133 WeakPolarHBondContact O-CB 3.47Å; L130-L133 PolarHBondContact O-N 2.85Å; L133-R135 VanDerWaalsContact C-N 3.34Å; L133-R135 PolarHBondContact O-N 3.3Å; L133-R136 PolarHBondContact O-N 2.86Å; L133-R136 VanDerWaalsContact O-N 3.14Å; L133-M137 HydrophobicContact CD1-CG 4.22Å; L133-M137 HydrophobicContact CD1-SD 4.24Å; L133-M137 HydrophobicContact CG-CG 4.47Å; L133-M137 HydrophobicContact CG-SD 4Å; L133-M137 WeakPolarHBondContact O-CG 3.41Å; L133-M137 PolarHBondContact O-N 2.93Å; L133-L161 HydrophobicContact CD1-CD1 4.08Å; L133-L161 HydrophobicContact CD1-CD2 4.21Å; L133-L168 HydrophobicContact CB-CD1 4.47Å; L133-L168 HydrophobicContact CB-CD2 4.19Å; L133-L168 HydrophobicContact CD1-CD2 4.19Å; L133-I170 HydrophobicContact CD1-CD1 4.18Å
134	A	98.5	Very high	96	Very high	3 Å²	3	48.7 Å²	48.7	3%	0.025	24%	0.238	C	C	.	.	H	α-helix	trans	-59.4	-43.8	178.4	0	0	0	0	0	112.2	L130 L131 R136 M137 G138 A208 A211 F212	L130-A134 WeakPolarHBondContact O-CB 3.31Å; L130-A134 PolarHBondContact O-N 2.81Å; L131-A134 PolarHBondContact O-N 2.98Å; A134-R136 PolarHBondContact O-N 2.99Å; A134-M137 PolarHBondContact O-N 3.47Å; A134-G138 PolarHBondContact O-N 2.99Å; A134-A208 HydrophobicContact CB-CB 4.32Å; A134-A208 WeakPolarHBondContact CB-O 3.11Å; A134-A211 HydrophobicContact CB-CB 4.21Å; A134-F212 HydrophobicContact CB-CB 4.07Å; A134-F212 WeakPolarHBondContact O-CA 3.47Å
135	R	98.6	Very high	96.4	Very high	115 Å²	115	43 Å²	43	43%	0.434	21%	0.211	S	C	.	.	H	α-helix	trans	-59.2	-47	173.6	-70.9	165	-167.9	158	0.8	111.1	L131 D132 L133 M137 G138 Q139 S215	L131-R135 WeakPolarHBondContact O-CG 3.48Å; L131-R135 PolarHBondContact O-N 2.94Å; D132-R135 PolarHBondContact O-N 3.24Å; D132-R135 IonicContact OD1-CZ 3.72Å; D132-R135 IonicContact OD1-NH1 2.68Å; D132-R135 PolarHBondContact OD1-NH1 3.31Å; L133-R135 VanDerWaalsContact C-N 3.34Å; L133-R135 PolarHBondContact O-N 3.3Å; R135-M137 PolarHBondContact O-N 2.81Å; R135-G138 PolarHBondContact O-N 3.08Å; R135-G138 VanDerWaalsContact O-N 3.13Å; R135-Q139 WeakPolarHBondContact O-CG 3.4Å; R135-Q139 PolarHBondContact O-N 3.39Å; R135-S215 PolarHBondContact O-OG 3.43Å
136	R	98.5	Very high	97	Very high	95 Å²	95	36.9 Å²	36.9	36%	0.358	19%	0.187	S	C	.	.	H	α-helix	trans	-63.9	-40.5	-179.8	-174.1	53.8	177.7	-131.4	0.7	112.4	D132 L133 A134 G138 Q139 V140 L168 I170	D132-R136 WeakPolarHBondContact O-CB 3.45Å; D132-R136 PolarHBondContact O-N 2.84Å; L133-R136 PolarHBondContact O-N 2.86Å; L133-R136 VanDerWaalsContact O-N 3.14Å; A134-R136 PolarHBondContact O-N 2.99Å; R136-G138 VanDerWaalsContact C-N 3.31Å; R136-G138 PolarHBondContact O-N 3Å; R136-Q139 PolarHBondContact O-N 2.9Å; R136-V140 WeakPolarHBondContact O-CG2 3.41Å; R136-V140 PolarHBondContact O-N 2.8Å; R136-L168 HydrophobicContact CB-CB 4.41Å; R136-L168 HydrophobicContact CG-CB 4.19Å; R136-L168 WeakPolarHBondContact CG-O 3.37Å; R136-I170 HydrophobicContact CB-CD1 4.22Å; R136-I170 HydrophobicContact CG-CD1 3.84Å; R136-I170 HydrophobicContact CG-CG1 4.27Å
137	M	98.8	Very high	97.3	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.015	18%	0.183	C	C	.	.	H	α-helix	trans	-58.3	-44.5	172	-72.1	170.1	62.4	0	0	111	V113 L133 A134 R135 Q139 V140 L141 T156 M159 I170 F198 F212	V113-M137 HydrophobicContact CG1-SD 4.09Å; L133-M137 HydrophobicContact CD1-CG 4.22Å; L133-M137 HydrophobicContact CD1-SD 4.24Å; L133-M137 HydrophobicContact CG-CG 4.47Å; L133-M137 HydrophobicContact CG-SD 4Å; L133-M137 WeakPolarHBondContact O-CG 3.41Å; L133-M137 PolarHBondContact O-N 2.93Å; A134-M137 PolarHBondContact O-N 3.47Å; R135-M137 PolarHBondContact O-N 2.81Å; M137-Q139 PolarHBondContact O-N 3.25Å; M137-V140 PolarHBondContact O-N 3.34Å; M137-L141 WeakPolarHBondContact O-CG 3.49Å; M137-L141 PolarHBondContact O-N 3.09Å; M137-T156 HydrophobicContact CE-CG2 4.25Å; M137-M159 HydrophobicContact CE-CE 4.28Å; M137-M159 HydrophobicContact CE-SD 3.93Å; M137-M159 HydrophobicContact CG-SD 4.3Å; M137-I170 HydrophobicContact CB-CD1 4.22Å; M137-I170 HydrophobicContact CG-CD1 3.49Å; M137-I170 VanDerWaalsContact CG-CD1 3.49Å; M137-F198 HydrophobicContact CE-CD2 4.15Å; M137-F198 HydrophobicContact CE-CE2 4.01Å; M137-F198 HydrophobicContact SD-CE2 4.41Å; M137-F212 HydrophobicContact CB-CD2 3.66Å; M137-F212 HydrophobicContact CB-CE2 3.99Å
138	G	98.7	Very high	97.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.5	-45.5	179.1	0	0	0	0	0	112.4	A134 R135 R136 A142 F212	A134-G138 PolarHBondContact O-N 2.99Å; R135-G138 PolarHBondContact O-N 3.08Å; R135-G138 VanDerWaalsContact O-N 3.13Å; R136-G138 VanDerWaalsContact C-N 3.31Å; R136-G138 PolarHBondContact O-N 3Å; G138-A142 VanDerWaalsContact O-CB 3.22Å; G138-A142 WeakPolarHBondContact O-CB 3.42Å; G138-A142 PolarHBondContact O-N 3.07Å; G138-F212 VanDerWaalsContact CA-CD2 3.5Å; G138-F212 VanDerWaalsContact CA-CE2 3.49Å; G138-F212 VanDerWaalsContact N-CD2 3.28Å
139	Q	98.6	Very high	98.1	Very high	93 Å²	93	33.4 Å²	33.4	44%	0.435	17%	0.168	S	C	.	.	H	α-helix	trans	-60.9	-48.4	175.8	-69.1	165.7	-9	0	0	112.4	R135 R136 M137 A142 G143 S219	R135-Q139 WeakPolarHBondContact O-CG 3.4Å; R135-Q139 PolarHBondContact O-N 3.39Å; R136-Q139 PolarHBondContact O-N 2.9Å; M137-Q139 PolarHBondContact O-N 3.25Å; Q139-A142 PolarHBondContact O-N 2.8Å; Q139-G143 PolarHBondContact O-N 3.43Å; Q139-S219 VanDerWaalsContact CG-OG 3.31Å; Q139-S219 WeakPolarHBondContact CG-OG 3.3Å
140	V	98.6	Very high	98.3	Very high	19 Å²	19	31.2 Å²	31.2	12%	0.115	15%	0.152	C	C	.	.	H	α-helix	trans	-63.1	-45.5	-177.7	168.5	0	0	0	0	111.1	I87 R136 M137 G143 M144 I170 L172	I87-V140 HydrophobicContact CG2-CG1 4.19Å; R136-V140 WeakPolarHBondContact O-CG2 3.41Å; R136-V140 PolarHBondContact O-N 2.8Å; M137-V140 PolarHBondContact O-N 3.34Å; V140-G143 PolarHBondContact O-N 3.49Å; V140-M144 PolarHBondContact O-N 2.91Å; V140-I170 HydrophobicContact CG1-CG2 4.48Å; V140-I170 HydrophobicContact CG2-CB 4.39Å; V140-L172 HydrophobicContact CG1-CD1 3.95Å; V140-L172 HydrophobicContact CG1-CD2 4.09Å; V140-L172 HydrophobicContact CG1-CG 4.01Å
141	L	98.7	Very high	98.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-74.4	-32.6	-179	-65.8	-172.4	0	0	0	113	M137 G143 M144 H145 L154 M159 L172 L194 F212 Y216	M137-L141 WeakPolarHBondContact O-CG 3.49Å; M137-L141 PolarHBondContact O-N 3.09Å; L141-G143 VanDerWaalsContact C-N 3.33Å; L141-M144 HydrophobicContact CD2-CE 3.9Å; L141-M144 HydrophobicContact CD2-SD 4.26Å; L141-M144 PolarHBondContact O-N 2.78Å; L141-H145 WeakPolarHBondContact O-CB 3.45Å; L141-H145 PolarHBondContact O-N 2.83Å; L141-L154 HydrophobicContact CD1-CD1 3.83Å; L141-L154 HydrophobicContact CD1-CD2 4.27Å; L141-L154 HydrophobicContact CD2-CD1 4.31Å; L141-L154 HydrophobicContact CD2-CD2 3.77Å; L141-M159 HydrophobicContact CD1-CE 3.92Å; L141-M159 HydrophobicContact CD2-CE 4.32Å; L141-M159 HydrophobicContact CG-CE 4.44Å; L141-L172 HydrophobicContact CD2-CD1 4.11Å; L141-L172 HydrophobicContact CD2-CD2 4.2Å; L141-L194 HydrophobicContact CD1-CD2 3.44Å; L141-L194 VanDerWaalsContact CD1-CD2 3.44Å; L141-F212 HydrophobicContact CB-CE2 4.45Å; L141-F212 HydrophobicContact CD1-CE2 3.79Å; L141-F212 HydrophobicContact CD1-CZ 3.78Å; L141-F212 HydrophobicContact CG-CE2 4.42Å; L141-Y216 HydrophobicContact CB-CD2 4.26Å; L141-Y216 HydrophobicContact CB-CE2 4.41Å
142	A	98.7	Very high	98.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.5	-45.5	169.7	0	0	0	0	0	110.9	G138 Q139 M144 H145 D146 Y216	G138-A142 VanDerWaalsContact O-CB 3.22Å; G138-A142 WeakPolarHBondContact O-CB 3.42Å; G138-A142 PolarHBondContact O-N 3.07Å; Q139-A142 PolarHBondContact O-N 2.8Å; A142-M144 VanDerWaalsContact C-N 3.34Å; A142-M144 PolarHBondContact O-N 3.4Å; A142-H145 PolarHBondContact O-N 3.02Å; A142-D146 WeakPolarHBondContact O-CB 3.39Å; A142-D146 PolarHBondContact O-N 3.15Å; A142-Y216 VanDerWaalsContact CA-CE2 3.45Å; A142-Y216 HydrophobicContact CB-CD2 3.78Å; A142-Y216 HydrophobicContact CB-CE2 3.98Å; A142-Y216 HydrophobicContact CB-CG 4.27Å
143	G	98.2	Very high	98.3	Very high	25 Å²	25	29.1 Å²	29.1	26%	0.258	15%	0.147	S	C	.	.	H	α-helix	trans	-59.3	-42.1	174.4	0	0	0	0	0	112.8	Q139 V140 L141 D146 Q147	Q139-G143 PolarHBondContact O-N 3.43Å; V140-G143 PolarHBondContact O-N 3.49Å; L141-G143 VanDerWaalsContact C-N 3.33Å; G143-D146 PolarHBondContact O-N 2.85Å; G143-Q147 WeakPolarHBondContact O-CG 3.47Å; G143-Q147 PolarHBondContact O-N 3.13Å
144	M	98.6	Very high	98.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.1	-48.8	176.5	-173.4	-174	73.3	0	0	111.9	I87 V140 L141 A142 D146 Q147 L149 H151 L154 L172 F175	I87-M144 VanDerWaalsContact CD1-CA 3.45Å; I87-M144 HydrophobicContact CD1-CB 3.96Å; V140-M144 PolarHBondContact O-N 2.91Å; L141-M144 HydrophobicContact CD2-CE 3.9Å; L141-M144 HydrophobicContact CD2-SD 4.26Å; L141-M144 PolarHBondContact O-N 2.78Å; A142-M144 VanDerWaalsContact C-N 3.34Å; A142-M144 PolarHBondContact O-N 3.4Å; M144-D146 VanDerWaalsContact C-N 3.3Å; M144-D146 PolarHBondContact O-N 3.14Å; M144-Q147 WeakPolarHBondContact O-CB 3.42Å; M144-Q147 PolarHBondContact O-N 3.04Å; M144-Q147 VanDerWaalsContact O-N 3.11Å; M144-L149 HydrophobicContact CG-CB 4.07Å; M144-L149 HydrophobicContact CG-CD2 4.09Å; M144-L149 HydrophobicContact CG-CG 4.14Å; M144-L149 PolarHBondContact O-N 2.95Å; M144-H151 HydrophobicContact CE-CB 3.75Å; M144-H151 HydrophobicContact SD-CB 4.02Å; M144-L154 HydrophobicContact CE-CD1 4.42Å; M144-L154 HydrophobicContact CE-CD2 4.37Å; M144-L172 HydrophobicContact CG-CD1 4.5Å; M144-L172 HydrophobicContact SD-CD1 3.71Å; M144-F175 HydrophobicContact SD-CE1 3.97Å; M144-F175 HydrophobicContact SD-CZ 4.38Å
145	H	98.7	Very high	98.3	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-67.1	-28.2	177.6	-76.6	174.9	0	0	0	113	L141 A142 Q147 D148 L149 K187 D190 Y216	L141-H145 WeakPolarHBondContact O-CB 3.45Å; L141-H145 PolarHBondContact O-N 2.83Å; A142-H145 PolarHBondContact O-N 3.02Å; H145-Q147 PolarHBondContact O-N 3.42Å; H145-D148 PolarHBondContact O-N 2.88Å; H145-L149 PolarHBondContact CD2-O 3.41Å; H145-K187 HydrophobicContact CB-CD 4.02Å; H145-K187 HydrophobicContact CB-CG 4.21Å; H145-K187 PolarHBondContact CE1-O 2.63Å; H145-K187 WeakPolarHBondContact O-CE 3.48Å; H145-K187 PolarHBondContact O-NZ 3.2Å; H145-D190 IonicContact NE2-OD2 3.4Å; H145-D190 PolarHBondContact NE2-OD2 2.87Å; H145-Y216 HydrophobicContact CB-CE2 4.45Å; H145-Y216 WeakPolarHBondContact CB-OH 3.48Å; H145-Y216 AromaticContact ND1-CE2 3.52Å; H145-Y216 AromaticContact ND1-CZ 3.53Å; H145-Y216 PolarHBondContact ND1-OH 3.38Å
146	D	98.1	Very high	98.3	Very high	43 Å²	43	24.9 Å²	24.9	23%	0.23	13%	0.134	C	C	.	.	H	α-helix	trans	-66.9	-23.6	173.2	-84.5	-14.3	0	0	0	112.9	A142 G143 M144 S220	A142-D146 WeakPolarHBondContact O-CB 3.39Å; A142-D146 PolarHBondContact O-N 3.15Å; G143-D146 PolarHBondContact O-N 2.85Å; M144-D146 VanDerWaalsContact C-N 3.3Å; M144-D146 PolarHBondContact O-N 3.14Å; D146-S220 VanDerWaalsContact CG-OG 3.29Å; D146-S220 WeakPolarHBondContact OD1-CB 3.48Å; D146-S220 PolarHBondContact OD1-OG 3.37Å; D146-S220 WeakPolarHBondContact OD2-CB 3.41Å; D146-S220 PolarHBondContact OD2-OG 3.41Å
147	Q	97.7	Very high	98.2	Very high	79 Å²	79	22.2 Å²	22.2	37%	0.369	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	10.5	169.9	-57.2	-56.7	-49.9	0	0	113.2	R81 A85 G143 M144 H145 L149	R81-Q147 PolarHBondContact NE-O 3.15Å; R81-Q147 PolarHBondContact NH2-O 3.3Å; A85-Q147 HydrophobicContact CB-CG 3.46Å; A85-Q147 VanDerWaalsContact CB-CG 3.46Å; G143-Q147 WeakPolarHBondContact O-CG 3.47Å; G143-Q147 PolarHBondContact O-N 3.13Å; M144-Q147 WeakPolarHBondContact O-CB 3.42Å; M144-Q147 PolarHBondContact O-N 3.04Å; M144-Q147 VanDerWaalsContact O-N 3.11Å; H145-Q147 PolarHBondContact O-N 3.42Å; Q147-L149 PolarHBondContact O-N 3.36Å; Q147-L149 VanDerWaalsContact O-N 3.13Å
148	D	98	Very high	98.2	Very high	47 Å²	47	23 Å²	23	25%	0.251	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	31	-177.4	-58.2	-38.3	0	0	0	112.7	H145 V180 S181 G182 K187	H145-D148 PolarHBondContact O-N 2.88Å; D148-V180 CarbonylContact O-C 3.53Å; D148-V180 VanDerWaalsContact O-CA 3.26Å; D148-V180 WeakPolarHBondContact O-CA 3.41Å; D148-V180 WeakPolarHBondContact O-CG1 3.29Å; D148-S181 CarbonylContact C-O 3.52Å; D148-S181 WeakPolarHBondContact CA-O 3.2Å; D148-S181 WeakPolarHBondContact CB-O 3.41Å; D148-S181 PolarHBondContact O-N 3.45Å; D148-G182 WeakPolarHBondContact OD1-CA 3.16Å; D148-K187 IonicContact OD1-NZ 2.75Å; D148-K187 PolarHBondContact OD1-NZ 2.68Å
149	L	98.5	Very high	98.2	Very high	2 Å²	2	23 Å²	23	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	119.5	175.7	-179.8	61	0	0	0	109	A78 C82 M144 H145 Q147 F175	A78-L149 HydrophobicContact CB-CD1 3.92Å; A78-L149 HydrophobicContact CB-CD2 4.34Å; C82-L149 WeakPolarHBondContact SG-CD2 3.46Å; M144-L149 HydrophobicContact CG-CB 4.07Å; M144-L149 HydrophobicContact CG-CD2 4.09Å; M144-L149 HydrophobicContact CG-CG 4.14Å; M144-L149 PolarHBondContact O-N 2.95Å; H145-L149 PolarHBondContact CD2-O 3.41Å; Q147-L149 PolarHBondContact O-N 3.36Å; Q147-L149 VanDerWaalsContact O-N 3.13Å; L149-F175 HydrophobicContact CD2-CD1 4.28Å; L149-F175 HydrophobicContact CD2-CE1 3.8Å; L149-F175 HydrophobicContact CG-CE1 4.38Å
150	I	98.6	Very high	98.2	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.015	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131.9	172.2	-47.3	-56.3	0	0	0	107.2	S178 F179 D186 K187 D190	I150-S178 CarbonylContact O-C 3.52Å; I150-S178 WeakPolarHBondContact O-CA 3.45Å; I150-S178 WeakPolarHBondContact O-CB 3.32Å; I150-F179 HydrophobicContact CB-CD1 4.09Å; I150-F179 HydrophobicContact CB-CD2 4.33Å; I150-F179 HydrophobicContact CB-CE1 3.82Å; I150-F179 HydrophobicContact CB-CE2 4.09Å; I150-F179 HydrophobicContact CB-CG 4.33Å; I150-F179 HydrophobicContact CB-CZ 3.83Å; I150-F179 HydrophobicContact CG1-CD2 4.2Å; I150-F179 HydrophobicContact CG1-CE1 4.41Å; I150-F179 HydrophobicContact CG1-CE2 3.8Å; I150-F179 HydrophobicContact CG1-CZ 3.91Å; I150-F179 HydrophobicContact CG2-CD1 4.3Å; I150-F179 HydrophobicContact CG2-CE1 3.6Å; I150-F179 HydrophobicContact CG2-CE2 4.42Å; I150-F179 HydrophobicContact CG2-CZ 3.68Å; I150-F179 PolarHBondContact N-O 2.86Å; I150-F179 PolarHBondContact O-N 2.93Å; I150-D186 HydrophobicContact CD1-CB 3.99Å; I150-D186 HydrophobicContact CG1-CB 3.97Å; I150-K187 HydrophobicContact CD1-CB 4.32Å; I150-K187 HydrophobicContact CD1-CG 3.45Å; I150-K187 VanDerWaalsContact CD1-CG 3.45Å; I150-D190 HydrophobicContact CG2-CB 3.85Å; I150-D190 WeakPolarHBondContact CG2-OD2 2.95Å
151	H	98.5	Very high	98.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.114	C	C	.	.			trans	-81.1	-40.7	178.9	-173.9	-60.1	0	0	0	111.2	M144 D153 L154 I173 D174 F175 L177 S178 D190	M144-H151 HydrophobicContact CE-CB 3.75Å; M144-H151 HydrophobicContact SD-CB 4.02Å; H151-D153 PolarHBondContact ND1-N 2.88Å; H151-D153 PolarHBondContact O-N 2.82Å; H151-L154 HydrophobicContact CB-CD2 3.58Å; H151-L154 HydrophobicContact CB-CG 3.76Å; H151-I173 PolarHBondContact CE1-O 3.04Å; H151-I173 PolarHBondContact NE2-O 3.1Å; H151-D174 PolarHBondContact CE1-O 2.57Å; H151-F175 HydrophobicContact CB-CE1 4.47Å; H151-F175 AromaticContact CD2-CE1 3.67Å; H151-F175 AromaticContact CD2-CZ 3.9Å; H151-L177 CarbonylContact O-C 3.5Å; H151-S178 WeakPolarHBondContact O-CA 3.1Å; H151-S178 PolarHBondContact O-N 2.86Å; H151-S178 VanDerWaalsContact O-N 3.1Å; H151-D190 PolarHBondContact N-OD2 2.73Å
152	G	97.3	Very high	98.1	Very high	25 Å²	25	21.8 Å²	21.8	26%	0.258	13%	0.125	S	C	.	.	S	Bend	trans	77.1	1.9	173.2	0	0	0	0	0	115.3	D190	G152-D190 WeakPolarHBondContact CA-OD1 3.4Å; G152-D190 PolarHBondContact N-OD1 2.9Å
153	D	96.7	Very high	98	Very high	56 Å²	56	28.7 Å²	28.7	30%	0.299	15%	0.151	S	C	.	.	S	Bend	trans	-155.4	43.5	178.1	-164.7	35.1	0	0	0	110.7	H151 T155 N158 L177	H151-D153 PolarHBondContact ND1-N 2.88Å; H151-D153 PolarHBondContact O-N 2.82Å; D153-T155 PolarHBondContact O-N 3.33Å; D153-T155 VanDerWaalsContact O-N 3.13Å; D153-N158 PolarHBondContact O-ND2 3.17Å; D153-N158 PolarHBondContact OD2-ND2 3.36Å; D153-N158 VanDerWaalsContact OD2-ND2 3.09Å; D153-L177 HydrophobicContact CB-CD1 4.18Å
154	L	98.3	Very high	98	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.162	C	C	.	.			trans	-66.7	115.7	-178.5	-72.5	174.9	0	0	0	110.8	L141 M144 H151 M159 D190 L194	L141-L154 HydrophobicContact CD1-CD1 3.83Å; L141-L154 HydrophobicContact CD1-CD2 4.27Å; L141-L154 HydrophobicContact CD2-CD1 4.31Å; L141-L154 HydrophobicContact CD2-CD2 3.77Å; M144-L154 HydrophobicContact CE-CD1 4.42Å; M144-L154 HydrophobicContact CE-CD2 4.37Å; H151-L154 HydrophobicContact CB-CD2 3.58Å; H151-L154 HydrophobicContact CB-CG 3.76Å; L154-M159 HydrophobicContact CD2-CE 4.12Å; L154-D190 HydrophobicContact CD1-CB 4.23Å; L154-L194 HydrophobicContact CB-CB 3.82Å; L154-L194 HydrophobicContact CB-CD1 4.22Å; L154-L194 HydrophobicContact CB-CG 4.46Å; L154-L194 HydrophobicContact CD1-CB 4.33Å
155	T	97.6	Very high	97.8	Very high	29 Å²	29	32.8 Å²	32.8	18%	0.178	17%	0.171	C	C	.	.			trans	-140.1	160.8	169.5	75	0	0	0	0	109	D153 S157 N158 A197	D153-T155 PolarHBondContact O-N 3.33Å; D153-T155 VanDerWaalsContact O-N 3.13Å; T155-S157 PolarHBondContact O-N 3.39Å; T155-S157 PolarHBondContact OG1-N 3.08Å; T155-N158 PolarHBondContact O-N 3.3Å; T155-N158 VanDerWaalsContact O-N 3.07Å; T155-N158 PolarHBondContact OG1-N 3.31Å; T155-A197 HydrophobicContact CG2-CB 3.93Å
156	T	98.3	Very high	97.5	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-68.5	-12.4	173.8	50.7	0	0	0	0	113	V113 R114 I117 M137 F198 H202	V113-T156 WeakPolarHBondContact CB-O 3.2Å; V113-T156 HydrophobicContact CG1-CG2 3.88Å; V113-T156 PolarHBondContact N-O 3.15Å; R114-T156 PolarHBondContact N-O 3.37Å; I117-T156 HydrophobicContact CD1-CG2 3.99Å; M137-T156 HydrophobicContact CE-CG2 4.25Å; T156-F198 HydrophobicContact CG2-CD2 3.53Å; T156-F198 HydrophobicContact CG2-CE2 3.9Å; T156-H202 PolarHBondContact OG1-NE2 3.41Å
157	S	97.5	Very high	97.4	Very high	40 Å²	40	41.5 Å²	41.5	28%	0.28	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-81.4	-22.9	171.4	-56.6	0	0	0	0	112.2	R114 T155 M159	R114-S157 WeakPolarHBondContact CD-OG 3.45Å; T155-S157 PolarHBondContact O-N 3.39Å; T155-S157 PolarHBondContact OG1-N 3.08Å; S157-M159 PolarHBondContact O-N 3.41Å
158	N	97.8	Very high	97.4	Very high	19 Å²	19	38.9 Å²	38.9	10%	0.102	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-90.2	18.5	175.8	-68.6	-20.5	0	0	0	112.8	D153 T155 I173	D153-N158 PolarHBondContact O-ND2 3.17Å; D153-N158 PolarHBondContact OD2-ND2 3.36Å; D153-N158 VanDerWaalsContact OD2-ND2 3.09Å; T155-N158 PolarHBondContact O-N 3.3Å; T155-N158 VanDerWaalsContact O-N 3.07Å; T155-N158 PolarHBondContact OG1-N 3.31Å; N158-I173 VanDerWaalsContact C-CG1 3.45Å; N158-I173 HydrophobicContact CB-CG1 4.47Å; N158-I173 VanDerWaalsContact O-CG1 3.3Å; N158-I173 WeakPolarHBondContact O-CG1 3.2Å; N158-I173 PolarHBondContact O-N 3.02Å
159	M	98.7	Very high	97.4	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131	174.8	-58.2	179.8	-170.6	0	0	108.7	T112 V113 M137 L141 L154 S157 I170 L172 L194	T112-M159 CarbonylContact C-O 3.49Å; T112-M159 WeakPolarHBondContact CA-O 3.4Å; V113-M159 HydrophobicContact CB-CB 3.94Å; V113-M159 HydrophobicContact CG2-CB 3.46Å; V113-M159 VanDerWaalsContact CG2-CB 3.46Å; V113-M159 PolarHBondContact N-O 2.98Å; M137-M159 HydrophobicContact CE-CE 4.28Å; M137-M159 HydrophobicContact CE-SD 3.93Å; M137-M159 HydrophobicContact CG-SD 4.3Å; L141-M159 HydrophobicContact CD1-CE 3.92Å; L141-M159 HydrophobicContact CD2-CE 4.32Å; L141-M159 HydrophobicContact CG-CE 4.44Å; L154-M159 HydrophobicContact CD2-CE 4.12Å; S157-M159 PolarHBondContact O-N 3.41Å; M159-I170 HydrophobicContact CB-CG2 4.21Å; M159-L172 HydrophobicContact CE-CD2 4.47Å; M159-L172 HydrophobicContact CG-CD2 3.86Å; M159-L172 HydrophobicContact SD-CD2 4.46Å; M159-L194 HydrophobicContact CE-CD1 4.15Å; M159-L194 HydrophobicContact CE-CD2 4.47Å
160	L	98.6	Very high	97.4	Very high	22 Å²	22	39.8 Å²	39.8	12%	0.115	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	141.9	176	-58.3	178.4	0	0	0	110.3	I107 V111 T112 I170 V171 I173	I107-L160 HydrophobicContact CB-CD1 3.64Å; I107-L160 HydrophobicContact CG1-CD1 3.88Å; I107-L160 HydrophobicContact CG2-CD1 4.02Å; V111-L160 CarbonylContact O-C 3.46Å; V111-L160 WeakPolarHBondContact O-CA 3.49Å; T112-L160 HydrophobicContact CG2-CD2 3.9Å; L160-I170 CarbonylContact O-C 3.52Å; L160-I170 VanDerWaalsContact O-CA 3.31Å; L160-I170 WeakPolarHBondContact O-CA 3.46Å; L160-V171 HydrophobicContact CB-CB 4.38Å; L160-V171 PolarHBondContact N-O 3.45Å; L160-V171 PolarHBondContact O-N 3.5Å; L160-I173 HydrophobicContact CD1-CD1 4.09Å; L160-I173 HydrophobicContact CD1-CG2 3.85Å; L160-I173 HydrophobicContact CD2-CD1 4.04Å; L160-I173 HydrophobicContact CG-CD1 3.88Å; L160-I173 HydrophobicContact CG-CG1 4.36Å; L160-I173 HydrophobicContact CG-CG2 4.15Å
161	L	98.6	Very high	97.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	113.2	168.4	-75.4	171.2	0	0	0	109.2	S110 V111 V113 Y116 L133 L165 L168 I170	S110-L161 WeakPolarHBondContact CA-O 3.43Å; S110-L161 WeakPolarHBondContact CB-O 3.35Å; V111-L161 HydrophobicContact CG2-CB 4.25Å; V111-L161 PolarHBondContact N-O 3.08Å; V111-L161 VanDerWaalsContact N-O 3.09Å; V111-L161 PolarHBondContact O-N 3.44Å; V113-L161 HydrophobicContact CG2-CD1 4.13Å; V113-L161 HydrophobicContact CG2-CD2 4.45Å; V113-L161 HydrophobicContact CG2-CG 3.8Å; Y116-L161 HydrophobicContact CD1-CD1 3.66Å; Y116-L161 HydrophobicContact CD2-CD1 3.9Å; Y116-L161 HydrophobicContact CE1-CD1 4.24Å; Y116-L161 HydrophobicContact CE2-CD1 4.43Å; Y116-L161 HydrophobicContact CG-CD1 3.46Å; Y116-L161 VanDerWaalsContact CG-CD1 3.46Å; L133-L161 HydrophobicContact CD1-CD1 4.08Å; L133-L161 HydrophobicContact CD1-CD2 4.21Å; L161-L165 HydrophobicContact CB-CD2 4.03Å; L161-L168 HydrophobicContact CD2-CB 4.49Å; L161-L168 HydrophobicContact CD2-CD2 4.47Å; L161-I170 HydrophobicContact CD2-CG1 3.64Å
162	R	97.9	Very high	97.4	Very high	64 Å²	64	39.6 Å²	39.6	24%	0.242	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	139.7	171.7	-75.4	-177.9	176.9	-161.6	-8.2	110.2	E105 I107 H169 V171	E105-R162 IonicContact OE1-CZ 3.31Å; E105-R162 IonicContact OE1-NH2 3.9Å; E105-R162 PolarHBondContact OE1-NH2 3.08Å; E105-R162 IonicContact OE2-NH2 3.15Å; I107-R162 HydrophobicContact CG2-CG 3.68Å; R162-H169 HydrophobicContact CB-CB 4.33Å; R162-H169 PolarHBondContact N-O 3.27Å; R162-V171 HydrophobicContact CG-CG2 3.87Å
163	R	96.6	Very high	97.4	Very high	145 Å²	145	40.1 Å²	40.1	55%	0.547	21%	0.214	S	C	.	.	S	Bend	trans	-68.5	150.1	170.8	-70.9	179.4	-176.2	-81.4	-3.2	110.8	D109 L165	D109-R163 HydrophobicContact CB-CB 4.42Å; D109-R163 WeakPolarHBondContact O-CB 3.48Å; D109-R163 WeakPolarHBondContact O-CG 3.42Å; D109-R163 PolarHBondContact O-N 3.38Å; R163-L165 HydrophobicContact CG-CD2 4Å; R163-L165 HydrophobicContact CG-CG 4.14Å
164	P	97.1	Very high	97.4	Very high	73 Å²	73	40.1 Å²	40.1	47%	0.474	21%	0.213	S	C	.	.	S	Bend	cis	-73	134.5	-2.9	30.2	-34.1	0	0	0	112.4	A166 Q167	P164-A166 PolarHBondContact O-N 2.95Å; P164-A166 VanDerWaalsContact O-N 3.12Å; P164-Q167 HydrophobicContact CG-CG 4Å; P164-Q167 PolarHBondContact O-N 3.36Å
165	L	95	Very high	97.3	Very high	37 Å²	37	40 Å²	40	19%	0.194	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-60.6	-29.1	-169.4	-59.5	175.4	0	0	0	113.5	V111 Y116 L161 R163 Q167 L168	V111-L165 HydrophobicContact CG2-CD2 3.79Å; Y116-L165 HydrophobicContact CD2-CB 4.47Å; Y116-L165 HydrophobicContact CD2-CD1 3.96Å; Y116-L165 HydrophobicContact CD2-CD2 4.45Å; Y116-L165 HydrophobicContact CE2-CB 3.95Å; Y116-L165 HydrophobicContact CE2-CD1 4.01Å; Y116-L165 HydrophobicContact CE2-CG 4.44Å; L161-L165 HydrophobicContact CB-CD2 4.03Å; R163-L165 HydrophobicContact CG-CD2 4Å; R163-L165 HydrophobicContact CG-CG 4.14Å; L165-Q167 PolarHBondContact O-N 3.11Å; L165-Q167 VanDerWaalsContact O-N 3.09Å; L165-L168 PolarHBondContact O-N 2.81Å
166	A	93	Very high	97.1	Very high	98 Å²	98	38.9 Å²	38.9	81%	0.81	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-58.5	-21.1	176.4	0	0	0	0	0	113.9	P164 L168	P164-A166 PolarHBondContact O-N 2.95Å; P164-A166 VanDerWaalsContact O-N 3.12Å; A166-L168 VanDerWaalsContact C-N 3.32Å
167	Q	95.6	Very high	96.9	Very high	130 Å²	130	43 Å²	43	61%	0.607	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-82.2	-11.2	176.8	-67.7	179.4	9.1	0	0	113.5	P164 L165 H169	P164-Q167 HydrophobicContact CG-CG 4Å; P164-Q167 PolarHBondContact O-N 3.36Å; L165-Q167 PolarHBondContact O-N 3.11Å; L165-Q167 VanDerWaalsContact O-N 3.09Å; Q167-H169 PolarHBondContact O-N 3.25Å; Q167-H169 VanDerWaalsContact O-N 3.14Å
168	L	97.3	Very high	96.9	Very high	23 Å²	23	41.2 Å²	41.2	12%	0.12	22%	0.216	C	C	.	.			trans	49.3	41.2	-179.1	-58.1	173.1	0	0	0	112.6	D132 L133 R136 L161 L165 A166 I170	D132-L168 HydrophobicContact CB-CD1 3.73Å; L133-L168 HydrophobicContact CB-CD1 4.47Å; L133-L168 HydrophobicContact CB-CD2 4.19Å; L133-L168 HydrophobicContact CD1-CD2 4.19Å; R136-L168 HydrophobicContact CB-CB 4.41Å; R136-L168 HydrophobicContact CG-CB 4.19Å; R136-L168 WeakPolarHBondContact CG-O 3.37Å; L161-L168 HydrophobicContact CD2-CB 4.49Å; L161-L168 HydrophobicContact CD2-CD2 4.47Å; L165-L168 PolarHBondContact O-N 2.81Å; A166-L168 VanDerWaalsContact C-N 3.32Å; L168-I170 PolarHBondContact O-N 3.47Å
169	H	97.9	Very high	96.9	Very high	63 Å²	63	43.6 Å²	43.6	29%	0.292	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	91.1	-179.6	-176	-168.4	0	0	0	110.3	A88 R162 Q167	A88-H169 WeakPolarHBondContact CB-NE2 3.5Å; R162-H169 HydrophobicContact CB-CB 4.33Å; R162-H169 PolarHBondContact N-O 3.27Å; Q167-H169 PolarHBondContact O-N 3.25Å; Q167-H169 VanDerWaalsContact O-N 3.14Å
170	I	98.7	Very high	96.9	Very high	5 Å²	5	48 Å²	48	3%	0.026	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	127.9	179.1	-60.4	174	0	0	0	110.6	L133 R136 M137 V140 M159 L160 L161 L168 L172	L133-I170 HydrophobicContact CD1-CD1 4.18Å; R136-I170 HydrophobicContact CB-CD1 4.22Å; R136-I170 HydrophobicContact CG-CD1 3.84Å; R136-I170 HydrophobicContact CG-CG1 4.27Å; M137-I170 HydrophobicContact CB-CD1 4.22Å; M137-I170 HydrophobicContact CG-CD1 3.49Å; M137-I170 VanDerWaalsContact CG-CD1 3.49Å; V140-I170 HydrophobicContact CG1-CG2 4.48Å; V140-I170 HydrophobicContact CG2-CB 4.39Å; M159-I170 HydrophobicContact CB-CG2 4.21Å; L160-I170 CarbonylContact O-C 3.52Å; L160-I170 VanDerWaalsContact O-CA 3.31Å; L160-I170 WeakPolarHBondContact O-CA 3.46Å; L161-I170 HydrophobicContact CD2-CG1 3.64Å; L168-I170 PolarHBondContact O-N 3.47Å; I170-L172 HydrophobicContact CG2-CD2 4.1Å
171	V	98.8	Very high	96.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.4	169	-174	0	0	0	0	108.6	A88 I107 L160 R162 I173	A88-V171 HydrophobicContact CB-CB 4.41Å; A88-V171 HydrophobicContact CB-CG1 4.44Å; A88-V171 HydrophobicContact CB-CG2 3.99Å; A88-V171 WeakPolarHBondContact O-CA 3.22Å; I107-V171 HydrophobicContact CD1-CG1 3.96Å; I107-V171 HydrophobicContact CG1-CG1 4.14Å; I107-V171 HydrophobicContact CG2-CG2 4.23Å; L160-V171 HydrophobicContact CB-CB 4.38Å; L160-V171 PolarHBondContact N-O 3.45Å; L160-V171 PolarHBondContact O-N 3.5Å; R162-V171 HydrophobicContact CG-CG2 3.87Å; V171-I173 HydrophobicContact CG1-CG2 4.48Å
172	L	98.7	Very high	96.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	136.5	176	-59.2	-177.9	0	0	0	110.4	I87 A88 P90 V140 L141 M144 M159 I170 F175	I87-L172 HydrophobicContact CG2-CD1 3.94Å; I87-L172 HydrophobicContact CG2-CG 4.38Å; A88-L172 PolarHBondContact O-N 3.4Å; P90-L172 VanDerWaalsContact CD-O 3.27Å; P90-L172 WeakPolarHBondContact CD-O 3.26Å; V140-L172 HydrophobicContact CG1-CD1 3.95Å; V140-L172 HydrophobicContact CG1-CD2 4.09Å; V140-L172 HydrophobicContact CG1-CG 4.01Å; L141-L172 HydrophobicContact CD2-CD1 4.11Å; L141-L172 HydrophobicContact CD2-CD2 4.2Å; M144-L172 HydrophobicContact CG-CD1 4.5Å; M144-L172 HydrophobicContact SD-CD1 3.71Å; M159-L172 HydrophobicContact CE-CD2 4.47Å; M159-L172 HydrophobicContact CG-CD2 3.86Å; M159-L172 HydrophobicContact SD-CD2 4.46Å; I170-L172 HydrophobicContact CG2-CD2 4.1Å; L172-F175 HydrophobicContact CB-CE2 3.81Å; L172-F175 HydrophobicContact CB-CZ 3.7Å; L172-F175 HydrophobicContact CD1-CZ 4.1Å
173	I	97.8	Very high	96.8	Very high	36 Å²	36	51.7 Å²	51.7	19%	0.185	29%	0.289	C	S	.	.			trans	-133.5	170.3	-179.6	62.8	164.1	0	0	0	110.9	P90 H151 N158 L160 V171	P90-I173 HydrophobicContact CG-CG2 3.88Å; H151-I173 PolarHBondContact CE1-O 3.04Å; H151-I173 PolarHBondContact NE2-O 3.1Å; N158-I173 VanDerWaalsContact C-CG1 3.45Å; N158-I173 HydrophobicContact CB-CG1 4.47Å; N158-I173 VanDerWaalsContact O-CG1 3.3Å; N158-I173 WeakPolarHBondContact O-CG1 3.2Å; N158-I173 PolarHBondContact O-N 3.02Å; L160-I173 HydrophobicContact CD1-CD1 4.09Å; L160-I173 HydrophobicContact CD1-CG2 3.85Å; L160-I173 HydrophobicContact CD2-CD1 4.04Å; L160-I173 HydrophobicContact CG-CD1 3.88Å; L160-I173 HydrophobicContact CG-CG1 4.36Å; L160-I173 HydrophobicContact CG-CG2 4.15Å; V171-I173 HydrophobicContact CG1-CG2 4.48Å
174	D	95.7	Very high	96.9	Very high	55 Å²	55	47.1 Å²	47.1	29%	0.294	28%	0.278	S	S	.	.			trans	54.7	65.3	179.9	-155.1	-18.6	0	0	0	116	K51 H151 G176	K51-D174 VanDerWaalsContact NZ-CG 3.28Å; K51-D174 IonicContact NZ-OD1 2.77Å; K51-D174 PolarHBondContact NZ-OD1 3.37Å; K51-D174 IonicContact NZ-OD2 3.57Å; K51-D174 PolarHBondContact NZ-OD2 2.98Å; H151-D174 PolarHBondContact CE1-O 2.57Å; D174-G176 PolarHBondContact O-N 3.4Å; D174-G176 PolarHBondContact OD1-N 3.13Å; D174-G176 VanDerWaalsContact OD1-N 3.14Å
175	F	96.7	Very high	96.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.266	C	S	.	.			trans	-79.6	27	171.4	-73.6	-90.3	0	0	0	112.9	E75 A78 L79 C82 M144 L149 H151 L172 L177 S178	E75-F175 HydrophobicContact CG-CB 4.07Å; A78-F175 HydrophobicContact CB-CB 3.68Å; A78-F175 HydrophobicContact CB-CD1 3.71Å; A78-F175 HydrophobicContact CB-CG 3.8Å; L79-F175 HydrophobicContact CD2-CD2 3.61Å; L79-F175 HydrophobicContact CD2-CE2 3.98Å; L79-F175 HydrophobicContact CG-CD2 4.21Å; C82-F175 WeakPolarHBondContact SG-CZ 3.45Å; M144-F175 HydrophobicContact SD-CE1 3.97Å; M144-F175 HydrophobicContact SD-CZ 4.38Å; L149-F175 HydrophobicContact CD2-CD1 4.28Å; L149-F175 HydrophobicContact CD2-CE1 3.8Å; L149-F175 HydrophobicContact CG-CE1 4.38Å; H151-F175 HydrophobicContact CB-CE1 4.47Å; H151-F175 AromaticContact CD2-CE1 3.67Å; H151-F175 AromaticContact CD2-CZ 3.9Å; L172-F175 HydrophobicContact CB-CE2 3.81Å; L172-F175 HydrophobicContact CB-CZ 3.7Å; L172-F175 HydrophobicContact CD1-CZ 4.1Å; F175-L177 PolarHBondContact O-N 2.76Å; F175-L177 VanDerWaalsContact O-N 3.17Å; F175-S178 WeakPolarHBondContact CB-OG 3.27Å; F175-S178 VanDerWaalsContact O-CB 3.26Å; F175-S178 WeakPolarHBondContact O-CB 3.18Å; F175-S178 PolarHBondContact O-N 2.9Å; F175-S178 PolarHBondContact O-OG 2.71Å
176	G	92.7	Very high	97.1	Very high	5 Å²	5	46.3 Å²	46.3	5%	0.052	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.6	-170.7	0	0	0	0	0	115.9	R71 D174	R71-G176 PolarHBondContact NE-O 3.41Å; R71-G176 VanDerWaalsContact NE-O 3.14Å; R71-G176 PolarHBondContact NH2-O 2.75Å; R71-G176 VanDerWaalsContact NH2-O 3.12Å; D174-G176 PolarHBondContact O-N 3.4Å; D174-G176 PolarHBondContact OD1-N 3.13Å; D174-G176 VanDerWaalsContact OD1-N 3.14Å
177	L	94.6	Very high	97.4	Very high	88 Å²	88	42 Å²	42	46%	0.461	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	5.5	173.7	-64.5	179.7	0	0	0	112.7	R71 H151 D153 F175	R71-L177 VanDerWaalsContact NH2-CD2 3.31Å; H151-L177 CarbonylContact O-C 3.5Å; D153-L177 HydrophobicContact CB-CD1 4.18Å; F175-L177 PolarHBondContact O-N 2.76Å; F175-L177 VanDerWaalsContact O-N 3.17Å
178	S	97.6	Very high	97.5	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.007	20%	0.202	C	C	.	.			trans	-64.7	152.9	-176	68	0	0	0	0	112.4	Q74 A78 I150 H151 F175	Q74-S178 VanDerWaalsContact CG-O 3.29Å; Q74-S178 WeakPolarHBondContact CG-O 3.43Å; Q74-S178 PolarHBondContact NE2-O 2.88Å; A78-S178 WeakPolarHBondContact CB-OG 3.37Å; I150-S178 CarbonylContact O-C 3.52Å; I150-S178 WeakPolarHBondContact O-CA 3.45Å; I150-S178 WeakPolarHBondContact O-CB 3.32Å; H151-S178 WeakPolarHBondContact O-CA 3.1Å; H151-S178 PolarHBondContact O-N 2.86Å; H151-S178 VanDerWaalsContact O-N 3.1Å; F175-S178 WeakPolarHBondContact CB-OG 3.27Å; F175-S178 VanDerWaalsContact O-CB 3.26Å; F175-S178 WeakPolarHBondContact O-CB 3.18Å; F175-S178 PolarHBondContact O-N 2.9Å; F175-S178 PolarHBondContact O-OG 2.71Å
179	F	97.7	Very high	97.6	Very high	69 Å²	69	37.4 Å²	37.4	30%	0.303	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	163.5	173.1	60.8	-81.9	0	0	0	110.9	Q74 I150 D186	Q74-F179 VanDerWaalsContact NE2-CB 3.34Å; I150-F179 HydrophobicContact CB-CD1 4.09Å; I150-F179 HydrophobicContact CB-CD2 4.33Å; I150-F179 HydrophobicContact CB-CE1 3.82Å; I150-F179 HydrophobicContact CB-CE2 4.09Å; I150-F179 HydrophobicContact CB-CG 4.33Å; I150-F179 HydrophobicContact CB-CZ 3.83Å; I150-F179 HydrophobicContact CG1-CD2 4.2Å; I150-F179 HydrophobicContact CG1-CE1 4.41Å; I150-F179 HydrophobicContact CG1-CE2 3.8Å; I150-F179 HydrophobicContact CG1-CZ 3.91Å; I150-F179 HydrophobicContact CG2-CD1 4.3Å; I150-F179 HydrophobicContact CG2-CE1 3.6Å; I150-F179 HydrophobicContact CG2-CE2 4.42Å; I150-F179 HydrophobicContact CG2-CZ 3.68Å; I150-F179 PolarHBondContact N-O 2.86Å; I150-F179 PolarHBondContact O-N 2.93Å; F179-D186 HydrophobicContact CE2-CB 4.06Å; F179-D186 HydrophobicContact CZ-CB 4.04Å
180	V	98	Very high	97.6	Very high	94 Å²	94	34.5 Å²	34.5	57%	0.57	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	122.7	177.6	178.1	0	0	0	0	108.7	D148	D148-V180 CarbonylContact O-C 3.53Å; D148-V180 VanDerWaalsContact O-CA 3.26Å; D148-V180 WeakPolarHBondContact O-CA 3.41Å; D148-V180 WeakPolarHBondContact O-CG1 3.29Å
181	S	98.3	Very high	97.6	Very high	15 Å²	15	34.3 Å²	34.3	11%	0.105	20%	0.198	C	C	.	.			trans	-153.6	132.6	173.4	-176.7	0	0	0	0	111.8	D148 L183 D186 K187	D148-S181 CarbonylContact C-O 3.52Å; D148-S181 WeakPolarHBondContact CA-O 3.2Å; D148-S181 WeakPolarHBondContact CB-O 3.41Å; D148-S181 PolarHBondContact O-N 3.45Å; S181-L183 VanDerWaalsContact C-N 3.34Å; S181-L183 WeakPolarHBondContact OG-CB 3.01Å; S181-L183 PolarHBondContact OG-N 2.86Å; S181-L183 VanDerWaalsContact OG-N 3.16Å; S181-D186 WeakPolarHBondContact CB-OD2 3.48Å; S181-D186 PolarHBondContact OG-OD2 2.96Å; S181-K187 WeakPolarHBondContact O-CE 3.2Å
182	G	97.4	Very high	97.5	Very high	46 Å²	46	36.7 Å²	36.7	47%	0.474	21%	0.207	S	C	.	.			trans	-87	-2.8	172	0	0	0	0	0	113.8	D148	D148-G182 WeakPolarHBondContact OD1-CA 3.16Å
183	L	98.2	Very high	97.5	Very high	103 Å²	103	39 Å²	39	54%	0.539	22%	0.222	S	C	.	.			trans	-72.3	130.6	-174	-62.2	178	0	0	0	111.1	S181 E185 D186 K187	S181-L183 VanDerWaalsContact C-N 3.34Å; S181-L183 WeakPolarHBondContact OG-CB 3.01Å; S181-L183 PolarHBondContact OG-N 2.86Å; S181-L183 VanDerWaalsContact OG-N 3.16Å; L183-E185 PolarHBondContact O-N 3.41Å; L183-D186 PolarHBondContact O-N 3.37Å; L183-K187 PolarHBondContact O-N 3.26Å
184	P	98.3	Very high	97.5	Very high	49 Å²	49	37.3 Å²	37.3	32%	0.318	21%	0.213	S	C	.	.	H	α-helix	trans	-60.2	-28.4	173.5	-25.9	35.1	0	0	0	114	G188 P225 V226	P184-G188 PolarHBondContact O-N 3.24Å; P184-P225 HydrophobicContact CB-CB 3.99Å; P184-P225 HydrophobicContact CG-CB 3.94Å; P184-V226 HydrophobicContact CB-CG2 4.21Å
185	E	98.2	Very high	97.6	Very high	51 Å²	51	35.8 Å²	35.8	24%	0.238	20%	0.204	C	C	.	.	H	α-helix	trans	-61	-50.8	175.2	178.8	78.4	-176	0	0	111.4	L183 K187 G188 V189 K229 R236	L183-E185 PolarHBondContact O-N 3.41Å; E185-K187 VanDerWaalsContact C-N 3.31Å; E185-K187 PolarHBondContact O-N 3.13Å; E185-G188 PolarHBondContact O-N 3.48Å; E185-G188 VanDerWaalsContact O-N 3.09Å; E185-V189 WeakPolarHBondContact O-CG2 3.23Å; E185-V189 PolarHBondContact O-N 2.89Å; E185-K229 HydrophobicContact CB-CG 4.06Å; E185-K229 WeakPolarHBondContact OE2-CD 3.29Å; E185-K229 WeakPolarHBondContact OE2-CE 3.44Å; E185-K229 WeakPolarHBondContact OE2-CG 2.92Å; E185-R236 IonicContact OE1-CZ 3.93Å; E185-R236 VanDerWaalsContact OE1-CZ 3.27Å; E185-R236 IonicContact OE1-NH1 3.79Å; E185-R236 PolarHBondContact OE1-NH1 2.93Å; E185-R236 IonicContact OE1-NH2 3.65Å; E185-R236 PolarHBondContact OE1-NH2 3.2Å; E185-R236 IonicContact OE2-CZ 2.71Å; E185-R236 IonicContact OE2-NH1 4Å; E185-R236 IonicContact OE2-NH2 3.61Å; E185-R236 PolarHBondContact OE2-NH2 3.29Å
186	D	98.5	Very high	97.6	Very high	42 Å²	42	41.6 Å²	41.6	23%	0.225	23%	0.229	C	C	.	.	H	α-helix	trans	-63.2	-40	-177.9	-64.9	-32.4	0	0	0	111.5	I150 F179 S181 L183 G188 V189 D190	I150-D186 HydrophobicContact CD1-CB 3.99Å; I150-D186 HydrophobicContact CG1-CB 3.97Å; F179-D186 HydrophobicContact CE2-CB 4.06Å; F179-D186 HydrophobicContact CZ-CB 4.04Å; S181-D186 WeakPolarHBondContact CB-OD2 3.48Å; S181-D186 PolarHBondContact OG-OD2 2.96Å; L183-D186 PolarHBondContact O-N 3.37Å; D186-G188 VanDerWaalsContact C-N 3.35Å; D186-V189 PolarHBondContact O-N 3.38Å; D186-D190 PolarHBondContact O-N 2.81Å
187	K	98.6	Very high	97.9	Very high	7 Å²	7	42.3 Å²	42.3	3%	0.03	24%	0.235	C	C	.	.	H	α-helix	trans	-64.5	-39.8	174.7	-62.6	172.4	-176	-173.2	0	111.5	H145 D148 I150 S181 L183 E185 D190 L191 V226	H145-K187 HydrophobicContact CB-CD 4.02Å; H145-K187 HydrophobicContact CB-CG 4.21Å; H145-K187 PolarHBondContact CE1-O 2.63Å; H145-K187 WeakPolarHBondContact O-CE 3.48Å; H145-K187 PolarHBondContact O-NZ 3.2Å; D148-K187 IonicContact OD1-NZ 2.75Å; D148-K187 PolarHBondContact OD1-NZ 2.68Å; I150-K187 HydrophobicContact CD1-CB 4.32Å; I150-K187 HydrophobicContact CD1-CG 3.45Å; I150-K187 VanDerWaalsContact CD1-CG 3.45Å; S181-K187 WeakPolarHBondContact O-CE 3.2Å; L183-K187 PolarHBondContact O-N 3.26Å; E185-K187 VanDerWaalsContact C-N 3.31Å; E185-K187 PolarHBondContact O-N 3.13Å; K187-D190 PolarHBondContact O-N 3.32Å; K187-L191 WeakPolarHBondContact O-CG 3.35Å; K187-L191 PolarHBondContact O-N 3.3Å; K187-L191 VanDerWaalsContact O-N 3.07Å; K187-V226 HydrophobicContact CB-CB 4.35Å; K187-V226 HydrophobicContact CB-CG1 3.56Å; K187-V226 HydrophobicContact CB-CG2 3.81Å; K187-V226 HydrophobicContact CD-CG2 3.82Å; K187-V226 HydrophobicContact CG-CG2 4.43Å
188	G	98.3	Very high	98	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.4	-38.8	176.7	0	0	0	0	0	112.3	P184 E185 D186 Y192	P184-G188 PolarHBondContact O-N 3.24Å; E185-G188 PolarHBondContact O-N 3.48Å; E185-G188 VanDerWaalsContact O-N 3.09Å; D186-G188 VanDerWaalsContact C-N 3.35Å; G188-Y192 WeakPolarHBondContact O-CB 3.48Å; G188-Y192 PolarHBondContact O-N 2.77Å
189	V	98.2	Very high	98	Very high	57 Å²	57	40.9 Å²	40.9	35%	0.345	23%	0.227	S	C	.	.	H	α-helix	trans	-65.9	-42.3	173.2	173.4	0	0	0	0	111	E185 D186 L191 Y192 V193 V233	E185-V189 WeakPolarHBondContact O-CG2 3.23Å; E185-V189 PolarHBondContact O-N 2.89Å; D186-V189 PolarHBondContact O-N 3.38Å; V189-L191 VanDerWaalsContact C-N 3.35Å; V189-L191 PolarHBondContact O-N 3.4Å; V189-Y192 WeakPolarHBondContact O-CB 3.37Å; V189-Y192 PolarHBondContact O-N 3.06Å; V189-Y192 VanDerWaalsContact O-N 3.11Å; V189-V193 WeakPolarHBondContact O-CG2 3.04Å; V189-V193 PolarHBondContact O-N 3.17Å; V189-V233 HydrophobicContact CG2-CG1 4.45Å; V189-V233 HydrophobicContact CG2-CG2 3.85Å
190	D	98.5	Very high	97.9	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.011	25%	0.245	C	C	.	.	H	α-helix	trans	-61.7	-42.7	177.8	-147	18.7	0	0	0	111.5	H145 I150 H151 G152 L154 D186 K187 Y192 V193 L194	H145-D190 IonicContact NE2-OD2 3.4Å; H145-D190 PolarHBondContact NE2-OD2 2.87Å; I150-D190 HydrophobicContact CG2-CB 3.85Å; I150-D190 WeakPolarHBondContact CG2-OD2 2.95Å; H151-D190 PolarHBondContact N-OD2 2.73Å; G152-D190 WeakPolarHBondContact CA-OD1 3.4Å; G152-D190 PolarHBondContact N-OD1 2.9Å; L154-D190 HydrophobicContact CD1-CB 4.23Å; D186-D190 PolarHBondContact O-N 2.81Å; K187-D190 PolarHBondContact O-N 3.32Å; D190-Y192 VanDerWaalsContact C-N 3.33Å; D190-Y192 PolarHBondContact O-N 3.1Å; D190-V193 PolarHBondContact O-N 3.14Å; D190-L194 PolarHBondContact O-N 2.97Å; D190-L194 VanDerWaalsContact O-N 3.09Å
191	L	98.7	Very high	97.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.1	-36.2	172.8	-67.4	-178.3	0	0	0	112.7	K187 V189 L194 E195 F212 Y216 V226 L227 L230	K187-L191 WeakPolarHBondContact O-CG 3.35Å; K187-L191 PolarHBondContact O-N 3.3Å; K187-L191 VanDerWaalsContact O-N 3.07Å; V189-L191 VanDerWaalsContact C-N 3.35Å; V189-L191 PolarHBondContact O-N 3.4Å; L191-L194 PolarHBondContact O-N 2.9Å; L191-E195 PolarHBondContact O-N 2.73Å; L191-F212 HydrophobicContact CD2-CE1 4.09Å; L191-F212 HydrophobicContact CD2-CZ 3.87Å; L191-Y216 HydrophobicContact CD1-CD1 4.08Å; L191-Y216 HydrophobicContact CD1-CE1 3.75Å; L191-Y216 HydrophobicContact CD1-CE2 4.24Å; L191-Y216 HydrophobicContact CD1-CG 4.5Å; L191-Y216 HydrophobicContact CD2-CD2 4.03Å; L191-Y216 HydrophobicContact CD2-CE2 3.9Å; L191-V226 HydrophobicContact CD1-CG1 3.81Å; L191-L227 HydrophobicContact CD1-CD2 4.31Å; L191-L230 HydrophobicContact CB-CD1 4.23Å; L191-L230 HydrophobicContact CB-CD2 4.24Å; L191-L230 HydrophobicContact CD1-CD2 4.37Å
192	Y	98	Very high	97.7	Very high	51 Å²	51	39.8 Å²	39.8	20%	0.2	23%	0.229	C	C	.	.	H	α-helix	trans	-67.8	-38.8	176.6	-179.4	-106	0	0	0	112.1	G188 V189 D190 L194 E195 K196 L230 V233 R234	G188-Y192 WeakPolarHBondContact O-CB 3.48Å; G188-Y192 PolarHBondContact O-N 2.77Å; V189-Y192 WeakPolarHBondContact O-CB 3.37Å; V189-Y192 PolarHBondContact O-N 3.06Å; V189-Y192 VanDerWaalsContact O-N 3.11Å; D190-Y192 VanDerWaalsContact C-N 3.33Å; D190-Y192 PolarHBondContact O-N 3.1Å; Y192-L194 VanDerWaalsContact C-N 3.34Å; Y192-E195 WeakPolarHBondContact O-CB 3.47Å; Y192-E195 PolarHBondContact O-N 2.96Å; Y192-K196 HydrophobicContact CD1-CG 4.37Å; Y192-K196 HydrophobicContact CD2-CG 4.48Å; Y192-K196 HydrophobicContact CE1-CG 3.9Å; Y192-K196 HydrophobicContact CE2-CD 4.13Å; Y192-K196 HydrophobicContact CE2-CG 4.03Å; Y192-K196 WeakPolarHBondContact O-CG 3.44Å; Y192-K196 PolarHBondContact O-N 3.44Å; Y192-L230 HydrophobicContact CD2-CD1 4.29Å; Y192-V233 HydrophobicContact CD1-CG1 3.59Å; Y192-V233 HydrophobicContact CD2-CG1 4.04Å; Y192-V233 HydrophobicContact CE1-CG1 4.19Å; Y192-V233 HydrophobicContact CG-CG1 3.49Å; Y192-V233 VanDerWaalsContact CG-CG1 3.49Å; Y192-R234 HydrophobicContact CD2-CG 3.94Å; Y192-R234 HydrophobicContact CE2-CG 4.04Å
193	V	97.4	Very high	97.5	Very high	49 Å²	49	41.3 Å²	41.3	30%	0.297	23%	0.231	S	C	.	.	H	α-helix	trans	-59.3	-47.8	172.8	170.7	0	0	0	0	109.9	V189 D190 E195 K196 A197	V189-V193 WeakPolarHBondContact O-CG2 3.04Å; V189-V193 PolarHBondContact O-N 3.17Å; D190-V193 PolarHBondContact O-N 3.14Å; V193-E195 PolarHBondContact O-N 2.71Å; V193-K196 PolarHBondContact O-N 3.12Å; V193-A197 WeakPolarHBondContact O-CB 3.45Å; V193-A197 PolarHBondContact O-N 2.96Å
194	L	98.5	Very high	97.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.2	-45.2	175.5	-178.9	61.7	0	0	0	112	L141 L154 M159 D190 L191 Y192 K196 A197 F198 F209 F212	L141-L194 HydrophobicContact CD1-CD2 3.44Å; L141-L194 VanDerWaalsContact CD1-CD2 3.44Å; L154-L194 HydrophobicContact CB-CB 3.82Å; L154-L194 HydrophobicContact CB-CD1 4.22Å; L154-L194 HydrophobicContact CB-CG 4.46Å; L154-L194 HydrophobicContact CD1-CB 4.33Å; M159-L194 HydrophobicContact CE-CD1 4.15Å; M159-L194 HydrophobicContact CE-CD2 4.47Å; D190-L194 PolarHBondContact O-N 2.97Å; D190-L194 VanDerWaalsContact O-N 3.09Å; L191-L194 PolarHBondContact O-N 2.9Å; Y192-L194 VanDerWaalsContact C-N 3.34Å; L194-K196 VanDerWaalsContact C-N 3.35Å; L194-K196 PolarHBondContact O-N 3.34Å; L194-A197 PolarHBondContact O-N 2.67Å; L194-F198 WeakPolarHBondContact O-CB 3.41Å; L194-F198 PolarHBondContact O-N 2.96Å; L194-F209 HydrophobicContact CD2-CE2 4.5Å; L194-F209 HydrophobicContact CG-CE2 4.19Å; L194-F212 HydrophobicContact CD2-CE1 3.83Å; L194-F212 HydrophobicContact CD2-CE2 3.93Å; L194-F212 HydrophobicContact CD2-CZ 3.45Å; L194-F212 VanDerWaalsContact CD2-CZ 3.45Å
195	E	98.2	Very high	97.1	Very high	23 Å²	23	41.1 Å²	41.1	11%	0.107	22%	0.223	C	C	.	.	H	α-helix	trans	-54.3	-51.3	177.4	177.9	170	-127.8	0	0	111.5	L191 Y192 V193 F198 L199 F209 R234	L191-E195 PolarHBondContact O-N 2.73Å; Y192-E195 WeakPolarHBondContact O-CB 3.47Å; Y192-E195 PolarHBondContact O-N 2.96Å; V193-E195 PolarHBondContact O-N 2.71Å; E195-F198 PolarHBondContact O-N 3.36Å; E195-L199 HydrophobicContact CG-CD1 3.93Å; E195-L199 WeakPolarHBondContact O-CB 3.26Å; E195-L199 WeakPolarHBondContact O-CG 3.37Å; E195-L199 PolarHBondContact O-N 3.24Å; E195-F209 HydrophobicContact CB-CE1 3.53Å; E195-F209 HydrophobicContact CB-CE2 4.16Å; E195-F209 HydrophobicContact CB-CZ 3.34Å; E195-F209 HydrophobicContact CG-CD1 4.15Å; E195-F209 HydrophobicContact CG-CE1 3.52Å; E195-F209 HydrophobicContact CG-CZ 3.87Å; E195-R234 IonicContact OE1-CZ 2.63Å; E195-R234 VanDerWaalsContact OE1-CZ 3.31Å; E195-R234 IonicContact OE1-NE 2.57Å; E195-R234 PolarHBondContact OE1-NE 2.63Å; E195-R234 VanDerWaalsContact OE1-NE 3.15Å; E195-R234 IonicContact OE1-NH2 2.66Å; E195-R234 PolarHBondContact OE1-NH2 3.16Å; E195-R234 IonicContact OE2-CZ 3.25Å; E195-R234 IonicContact OE2-NE 3.41Å; E195-R234 PolarHBondContact OE2-NE 3.13Å; E195-R234 IonicContact OE2-NH2 3.7Å
196	K	97	Very high	97	Very high	121 Å²	121	43.4 Å²	43.4	53%	0.526	23%	0.233	S	C	.	.	H	α-helix	trans	-64.2	-44.6	-179.2	-69.7	-56	-56.1	172.9	0	111.7	Y192 V193 L194 S200	Y192-K196 HydrophobicContact CD1-CG 4.37Å; Y192-K196 HydrophobicContact CD2-CG 4.48Å; Y192-K196 HydrophobicContact CE1-CG 3.9Å; Y192-K196 HydrophobicContact CE2-CD 4.13Å; Y192-K196 HydrophobicContact CE2-CG 4.03Å; Y192-K196 WeakPolarHBondContact O-CG 3.44Å; Y192-K196 PolarHBondContact O-N 3.44Å; V193-K196 PolarHBondContact O-N 3.12Å; L194-K196 VanDerWaalsContact C-N 3.35Å; L194-K196 PolarHBondContact O-N 3.34Å; K196-S200 WeakPolarHBondContact O-CB 3.13Å; K196-S200 PolarHBondContact O-N 2.79Å; K196-S200 VanDerWaalsContact O-N 3.15Å
197	A	97.2	Very high	96.9	Very high	21 Å²	21	44.2 Å²	44.2	17%	0.174	24%	0.24	C	C	.	.	H	α-helix	trans	-66.2	-42.2	178.8	0	0	0	0	0	111.9	T155 V193 L194 T201	T155-A197 HydrophobicContact CG2-CB 3.93Å; V193-A197 WeakPolarHBondContact O-CB 3.45Å; V193-A197 PolarHBondContact O-N 2.96Å; L194-A197 PolarHBondContact O-N 2.67Å; A197-T201 VanDerWaalsContact O-CB 3.28Å; A197-T201 WeakPolarHBondContact O-CB 3.5Å; A197-T201 PolarHBondContact O-N 2.85Å; A197-T201 PolarHBondContact O-OG1 2.73Å
198	F	98.2	Very high	96.8	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.018	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-56.1	-177.9	-170.3	-84.1	0	0	0	111.1	I117 M137 T156 L194 E195 S200 T201 H202 T205 A208 F209	I117-F198 HydrophobicContact CD1-CE2 3.78Å; I117-F198 HydrophobicContact CD1-CZ 4.2Å; M137-F198 HydrophobicContact CE-CD2 4.15Å; M137-F198 HydrophobicContact CE-CE2 4.01Å; M137-F198 HydrophobicContact SD-CE2 4.41Å; T156-F198 HydrophobicContact CG2-CD2 3.53Å; T156-F198 HydrophobicContact CG2-CE2 3.9Å; L194-F198 WeakPolarHBondContact O-CB 3.41Å; L194-F198 PolarHBondContact O-N 2.96Å; E195-F198 PolarHBondContact O-N 3.36Å; F198-S200 VanDerWaalsContact C-N 3.25Å; F198-S200 PolarHBondContact O-N 3.29Å; F198-T201 PolarHBondContact O-N 2.92Å; F198-H202 WeakPolarHBondContact O-CB 3.45Å; F198-H202 PolarHBondContact O-N 2.91Å; F198-T205 WeakPolarHBondContact CE1-OG1 3.43Å; F198-A208 HydrophobicContact CZ-CB 4.36Å; F198-F209 HydrophobicContact CB-CD2 4.02Å; F198-F209 HydrophobicContact CB-CE2 4.2Å; F198-F209 HydrophobicContact CD1-CB 4.11Å; F198-F209 AromaticContact CD1-CD2 3.71Å; F198-F209 HydrophobicContact CD1-CD2 3.71Å; F198-F209 HydrophobicContact CD1-CG 4.29Å; F198-F209 HydrophobicContact CD2-CD2 4.45Å; F198-F209 HydrophobicContact CE1-CB 4.13Å; F198-F209 HydrophobicContact CE1-CD2 4.27Å; F198-F209 AromaticContact CG-CD2 3.81Å; F198-F209 HydrophobicContact CG-CD2 3.81Å; F198-F209 HydrophobicContact CG-CE2 4.39Å
199	L	96.6	Very high	96.8	Very high	54 Å²	54	44.2 Å²	44.2	28%	0.283	24%	0.24	S	C	.	.	H	α-helix	trans	-68.4	-25.2	-178	-62.5	176.3	0	0	0	112.9	E195 E206 F209	E195-L199 HydrophobicContact CG-CD1 3.93Å; E195-L199 WeakPolarHBondContact O-CB 3.26Å; E195-L199 WeakPolarHBondContact O-CG 3.37Å; E195-L199 PolarHBondContact O-N 3.24Å; L199-E206 HydrophobicContact CD2-CG 4.11Å; L199-F209 HydrophobicContact CD2-CB 4.17Å
200	S	96.7	Very high	96.8	Very high	97 Å²	97	47.8 Å²	47.8	68%	0.678	25%	0.253	S	S	*	.	H	α-helix	trans	-76.1	-36.4	173.3	-178.8	0	0	0	0	113.1	K196 F198	K196-S200 WeakPolarHBondContact O-CB 3.13Å; K196-S200 PolarHBondContact O-N 2.79Å; K196-S200 VanDerWaalsContact O-N 3.15Å; F198-S200 VanDerWaalsContact C-N 3.25Å; F198-S200 PolarHBondContact O-N 3.29Å
201	T	96.3	Very high	96.8	Very high	54 Å²	54	48.5 Å²	48.5	33%	0.331	26%	0.259	S	S	.	.	H	α-helix	trans	-85.3	-31.9	-176.6	-52.7	0	0	0	0	111.1	R114 A197 F198 P203	R114-T201 HydrophobicContact CG-CG2 3.92Å; A197-T201 VanDerWaalsContact O-CB 3.28Å; A197-T201 WeakPolarHBondContact O-CB 3.5Å; A197-T201 PolarHBondContact O-N 2.85Å; A197-T201 PolarHBondContact O-OG1 2.73Å; F198-T201 PolarHBondContact O-N 2.92Å; T201-P203 WeakPolarHBondContact O-CD 3.39Å
202	H	95.7	Very high	96.8	Very high	5 Å²	5	48.6 Å²	48.6	2%	0.023	26%	0.26	C	S	.	.	S	Bend	trans	-123.1	76.4	-174.6	-53.8	-54.9	0	0	0	110.2	R114 I117 T156 F198 T205	R114-H202 PolarHBondContact O-CE1 3.14Å; I117-H202 HydrophobicContact CG2-CB 4.11Å; I117-H202 VanDerWaalsContact CG2-ND1 3.34Å; I117-H202 WeakPolarHBondContact CG2-ND1 3.24Å; T156-H202 PolarHBondContact OG1-NE2 3.41Å; F198-H202 WeakPolarHBondContact O-CB 3.45Å; F198-H202 PolarHBondContact O-N 2.91Å; H202-T205 HydrophobicContact CB-CG2 3.98Å; H202-T205 WeakPolarHBondContact CB-OG1 3.17Å; H202-T205 PolarHBondContact O-OG1 2.85Å
203	P	92.8	Very high	96.8	Very high	77 Å²	77	47.3 Å²	47.3	50%	0.5	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	150.8	177.7	-23.8	33.7	0	0	0	112.1	T201 T205	T201-P203 WeakPolarHBondContact O-CD 3.39Å; P203-T205 VanDerWaalsContact C-N 3.27Å; P203-T205 PolarHBondContact O-N 2.92Å
204	H	92.1	Very high	96.9	Very high	148 Å²	148	53.2 Å²	53.2	69%	0.685	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	23.7	178.3	-46.9	-63.9	0	0	0	115.1	P127 E206	P127-H204 WeakPolarHBondContact CG-O 3.48Å; H204-E206 VanDerWaalsContact CA-OE2 3.23Å; H204-E206 WeakPolarHBondContact CA-OE2 3.27Å
205	T	95.1	Very high	96.9	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.006	28%	0.282	C	S	.	.			trans	-113.5	25.3	179.2	65	0	0	0	0	113.5	L130 F198 H202 P203 T207 A208 F209	L130-T205 HydrophobicContact CD1-CG2 3.94Å; F198-T205 WeakPolarHBondContact CE1-OG1 3.43Å; H202-T205 HydrophobicContact CB-CG2 3.98Å; H202-T205 WeakPolarHBondContact CB-OG1 3.17Å; H202-T205 PolarHBondContact O-OG1 2.85Å; P203-T205 VanDerWaalsContact C-N 3.27Å; P203-T205 PolarHBondContact O-N 2.92Å; T205-T207 VanDerWaalsContact C-N 3.26Å; T205-T207 PolarHBondContact O-N 2.9Å; T205-A208 WeakPolarHBondContact O-CB 3.37Å; T205-A208 PolarHBondContact O-N 3.28Å; T205-F209 PolarHBondContact O-N 2.94Å; T205-F209 VanDerWaalsContact O-N 3.08Å
206	E	96.1	Very high	96.9	Very high	98 Å²	98	52.9 Å²	52.9	46%	0.458	28%	0.278	S	S	.	.	H	α-helix	trans	-55	-41.5	179.6	-68.2	78.6	-177.5	0	0	112	L199 H204 A208 F209 E210	L199-E206 HydrophobicContact CD2-CG 4.11Å; H204-E206 VanDerWaalsContact CA-OE2 3.23Å; H204-E206 WeakPolarHBondContact CA-OE2 3.27Å; E206-A208 VanDerWaalsContact C-N 3.32Å; E206-A208 PolarHBondContact O-N 3.16Å; E206-F209 PolarHBondContact O-N 3.39Å; E206-F209 VanDerWaalsContact O-N 3.09Å; E206-E210 WeakPolarHBondContact O-CG 3.18Å; E206-E210 PolarHBondContact O-N 3.42Å
207	T	96.3	Very high	97	Very high	59 Å²	59	48 Å²	48	36%	0.362	26%	0.262	S	S	.	.	H	α-helix	trans	-62.7	-36.9	178.5	53.9	0	0	0	0	112.6	T205 A211	T205-T207 VanDerWaalsContact C-N 3.26Å; T205-T207 PolarHBondContact O-N 2.9Å; T207-A211 PolarHBondContact O-N 2.99Å; T207-A211 VanDerWaalsContact O-N 3.1Å
208	A	97.3	Very high	97	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-67.3	-42.3	173.3	0	0	0	0	0	110.5	L130 A134 F198 T205 E206 E210 A211 F212	L130-A208 HydrophobicContact CB-CB 4Å; A134-A208 HydrophobicContact CB-CB 4.32Å; A134-A208 WeakPolarHBondContact CB-O 3.11Å; F198-A208 HydrophobicContact CZ-CB 4.36Å; T205-A208 WeakPolarHBondContact O-CB 3.37Å; T205-A208 PolarHBondContact O-N 3.28Å; E206-A208 VanDerWaalsContact C-N 3.32Å; E206-A208 PolarHBondContact O-N 3.16Å; A208-E210 PolarHBondContact O-N 2.52Å; A208-A211 WeakPolarHBondContact O-CB 3.35Å; A208-A211 PolarHBondContact O-N 3.27Å; A208-F212 PolarHBondContact O-N 2.76Å
209	F	97.9	Very high	97	Very high	7 Å²	7	53.4 Å²	53.4	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-65.8	-36.6	178	-162.7	-100.2	0	0	0	112.9	L194 E195 F198 L199 T205 E206 F212 L213	L194-F209 HydrophobicContact CD2-CE2 4.5Å; L194-F209 HydrophobicContact CG-CE2 4.19Å; E195-F209 HydrophobicContact CB-CE1 3.53Å; E195-F209 HydrophobicContact CB-CE2 4.16Å; E195-F209 HydrophobicContact CB-CZ 3.34Å; E195-F209 HydrophobicContact CG-CD1 4.15Å; E195-F209 HydrophobicContact CG-CE1 3.52Å; E195-F209 HydrophobicContact CG-CZ 3.87Å; F198-F209 HydrophobicContact CB-CD2 4.02Å; F198-F209 HydrophobicContact CB-CE2 4.2Å; F198-F209 HydrophobicContact CD1-CB 4.11Å; F198-F209 AromaticContact CD1-CD2 3.71Å; F198-F209 HydrophobicContact CD1-CD2 3.71Å; F198-F209 HydrophobicContact CD1-CG 4.29Å; F198-F209 HydrophobicContact CD2-CD2 4.45Å; F198-F209 HydrophobicContact CE1-CB 4.13Å; F198-F209 HydrophobicContact CE1-CD2 4.27Å; F198-F209 AromaticContact CG-CD2 3.81Å; F198-F209 HydrophobicContact CG-CD2 3.81Å; F198-F209 HydrophobicContact CG-CE2 4.39Å; L199-F209 HydrophobicContact CD2-CB 4.17Å; T205-F209 PolarHBondContact O-N 2.94Å; T205-F209 VanDerWaalsContact O-N 3.08Å; E206-F209 PolarHBondContact O-N 3.39Å; E206-F209 VanDerWaalsContact O-N 3.09Å; F209-F212 HydrophobicContact CD2-CD1 4.11Å; F209-F212 AromaticContact CE2-CD1 3.68Å; F209-F212 HydrophobicContact CE2-CD1 3.68Å; F209-F212 HydrophobicContact CE2-CE1 4.01Å; F209-F212 AromaticContact CZ-CD1 3.9Å; F209-F212 HydrophobicContact CZ-CD1 3.9Å; F209-F212 HydrophobicContact CZ-CE1 4.03Å; F209-F212 WeakPolarHBondContact O-CB 3.39Å; F209-F212 PolarHBondContact O-N 3.38Å; F209-L213 HydrophobicContact CD1-CD1 4.04Å; F209-L213 HydrophobicContact CD1-CG 4.25Å; F209-L213 HydrophobicContact CE1-CD1 3.71Å; F209-L213 HydrophobicContact CE1-CD2 4.21Å; F209-L213 HydrophobicContact CE1-CG 3.85Å; F209-L213 HydrophobicContact CZ-CD2 4.39Å; F209-L213 HydrophobicContact CZ-CG 4.39Å; F209-L213 PolarHBondContact O-N 2.6Å
210	E	97.9	Very high	97	Very high	132 Å²	132	51.1 Å²	51.1	62%	0.617	29%	0.293	S	S	*	.	H	α-helix	trans	-62	-43.1	171.9	-73	177	-177.6	0	0	111.9	E206 A208 F212 L213 K214	E206-E210 WeakPolarHBondContact O-CG 3.18Å; E206-E210 PolarHBondContact O-N 3.42Å; A208-E210 PolarHBondContact O-N 2.52Å; E210-F212 VanDerWaalsContact C-N 3.31Å; E210-F212 PolarHBondContact O-N 3.04Å; E210-L213 PolarHBondContact O-N 3.34Å; E210-K214 WeakPolarHBondContact O-CB 3.29Å; E210-K214 PolarHBondContact O-N 3.46Å
211	A	98.4	Very high	96.9	Very high	17 Å²	17	56.8 Å²	56.8	14%	0.14	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-37.7	175.1	0	0	0	0	0	112.2	L131 A134 T207 A208 S215	L131-A211 HydrophobicContact CD2-CB 3.54Å; A134-A211 HydrophobicContact CB-CB 4.21Å; T207-A211 PolarHBondContact O-N 2.99Å; T207-A211 VanDerWaalsContact O-N 3.1Å; A208-A211 WeakPolarHBondContact O-CB 3.35Å; A208-A211 PolarHBondContact O-N 3.27Å; A211-S215 WeakPolarHBondContact O-CB 3.49Å; A211-S215 PolarHBondContact O-N 3.03Å
212	F	98.6	Very high	96.7	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.009	31%	0.312	C	S	.	.	H	α-helix	trans	-58	-52.8	171.4	161.3	-95.5	0	0	0	111.3	A134 M137 G138 L141 L191 L194 A208 F209 E210 K214 S215 Y216	A134-F212 HydrophobicContact CB-CB 4.07Å; A134-F212 WeakPolarHBondContact O-CA 3.47Å; M137-F212 HydrophobicContact CB-CD2 3.66Å; M137-F212 HydrophobicContact CB-CE2 3.99Å; G138-F212 VanDerWaalsContact CA-CD2 3.5Å; G138-F212 VanDerWaalsContact CA-CE2 3.49Å; G138-F212 VanDerWaalsContact N-CD2 3.28Å; L141-F212 HydrophobicContact CB-CE2 4.45Å; L141-F212 HydrophobicContact CD1-CE2 3.79Å; L141-F212 HydrophobicContact CD1-CZ 3.78Å; L141-F212 HydrophobicContact CG-CE2 4.42Å; L191-F212 HydrophobicContact CD2-CE1 4.09Å; L191-F212 HydrophobicContact CD2-CZ 3.87Å; L194-F212 HydrophobicContact CD2-CE1 3.83Å; L194-F212 HydrophobicContact CD2-CE2 3.93Å; L194-F212 HydrophobicContact CD2-CZ 3.45Å; L194-F212 VanDerWaalsContact CD2-CZ 3.45Å; A208-F212 PolarHBondContact O-N 2.76Å; F209-F212 HydrophobicContact CD2-CD1 4.11Å; F209-F212 AromaticContact CE2-CD1 3.68Å; F209-F212 HydrophobicContact CE2-CD1 3.68Å; F209-F212 HydrophobicContact CE2-CE1 4.01Å; F209-F212 AromaticContact CZ-CD1 3.9Å; F209-F212 HydrophobicContact CZ-CD1 3.9Å; F209-F212 HydrophobicContact CZ-CE1 4.03Å; F209-F212 WeakPolarHBondContact O-CB 3.39Å; F209-F212 PolarHBondContact O-N 3.38Å; E210-F212 VanDerWaalsContact C-N 3.31Å; E210-F212 PolarHBondContact O-N 3.04Å; F212-K214 VanDerWaalsContact C-N 3.34Å; F212-K214 PolarHBondContact O-N 3.21Å; F212-S215 PolarHBondContact O-N 2.89Å; F212-Y216 WeakPolarHBondContact O-CB 3.46Å; F212-Y216 PolarHBondContact O-N 3.06Å
213	L	98.5	Very high	96.8	Very high	23 Å²	23	59.6 Å²	59.6	12%	0.12	31%	0.314	C	S	.	.	H	α-helix	trans	-62.7	-40	-179.4	-73	177.4	0	0	0	112.5	F209 E210 Y216 G217 L227 L230	F209-L213 HydrophobicContact CD1-CD1 4.04Å; F209-L213 HydrophobicContact CD1-CG 4.25Å; F209-L213 HydrophobicContact CE1-CD1 3.71Å; F209-L213 HydrophobicContact CE1-CD2 4.21Å; F209-L213 HydrophobicContact CE1-CG 3.85Å; F209-L213 HydrophobicContact CZ-CD2 4.39Å; F209-L213 HydrophobicContact CZ-CG 4.39Å; F209-L213 PolarHBondContact O-N 2.6Å; E210-L213 PolarHBondContact O-N 3.34Å; L213-Y216 PolarHBondContact O-N 3.39Å; L213-G217 PolarHBondContact O-N 2.88Å; L213-L227 HydrophobicContact CD2-CD2 4.22Å; L213-L230 HydrophobicContact CD1-CD2 4.29Å; L213-L230 HydrophobicContact CD2-CD2 3.68Å
214	K	98.6	Very high	97	Very high	174 Å²	174	60.1 Å²	60.1	76%	0.757	32%	0.32	S	S	*	.	H	α-helix	trans	-61.4	-44.9	175.4	-175.4	177.5	-178.9	177.7	0	111.3	E210 F212 G217 A218	E210-K214 WeakPolarHBondContact O-CB 3.29Å; E210-K214 PolarHBondContact O-N 3.46Å; F212-K214 VanDerWaalsContact C-N 3.34Å; F212-K214 PolarHBondContact O-N 3.21Å; K214-G217 PolarHBondContact O-N 2.86Å; K214-A218 WeakPolarHBondContact O-CB 3.23Å; K214-A218 PolarHBondContact O-N 3.26Å
215	S	98.7	Very high	97.3	Very high	14 Å²	14	56.4 Å²	56.4	10%	0.098	31%	0.308	C	S	.	.	H	α-helix	trans	-68.1	-40.6	178.8	-170.4	0	0	0	0	112.3	R135 A211 F212 G217 A218 S219	R135-S215 PolarHBondContact O-OG 3.43Å; A211-S215 WeakPolarHBondContact O-CB 3.49Å; A211-S215 PolarHBondContact O-N 3.03Å; F212-S215 PolarHBondContact O-N 2.89Å; S215-G217 VanDerWaalsContact C-N 3.32Å; S215-G217 PolarHBondContact O-N 2.82Å; S215-A218 PolarHBondContact O-N 3.11Å; S215-S219 VanDerWaalsContact O-CB 3.28Å; S215-S219 WeakPolarHBondContact O-CB 3.29Å; S215-S219 PolarHBondContact O-N 3.49Å; S215-S219 PolarHBondContact O-OG 2.98Å
216	Y	98.8	Very high	97.5	Very high	1 Å²	1	56.5 Å²	56.5	0%	0.004	31%	0.309	C	S	.	.	H	α-helix	trans	-56.5	-47.9	171.6	178.4	-83	0	0	0	111.1	L141 A142 H145 L191 F212 L213 A218 S219 V226 L227	L141-Y216 HydrophobicContact CB-CD2 4.26Å; L141-Y216 HydrophobicContact CB-CE2 4.41Å; A142-Y216 VanDerWaalsContact CA-CE2 3.45Å; A142-Y216 HydrophobicContact CB-CD2 3.78Å; A142-Y216 HydrophobicContact CB-CE2 3.98Å; A142-Y216 HydrophobicContact CB-CG 4.27Å; H145-Y216 HydrophobicContact CB-CE2 4.45Å; H145-Y216 WeakPolarHBondContact CB-OH 3.48Å; H145-Y216 AromaticContact ND1-CE2 3.52Å; H145-Y216 AromaticContact ND1-CZ 3.53Å; H145-Y216 PolarHBondContact ND1-OH 3.38Å; L191-Y216 HydrophobicContact CD1-CD1 4.08Å; L191-Y216 HydrophobicContact CD1-CE1 3.75Å; L191-Y216 HydrophobicContact CD1-CE2 4.24Å; L191-Y216 HydrophobicContact CD1-CG 4.5Å; L191-Y216 HydrophobicContact CD2-CD2 4.03Å; L191-Y216 HydrophobicContact CD2-CE2 3.9Å; F212-Y216 WeakPolarHBondContact O-CB 3.46Å; F212-Y216 PolarHBondContact O-N 3.06Å; L213-Y216 PolarHBondContact O-N 3.39Å; Y216-A218 VanDerWaalsContact C-N 3.35Å; Y216-A218 PolarHBondContact O-N 3.41Å; Y216-S219 PolarHBondContact O-N 3.33Å; Y216-V226 HydrophobicContact CE1-CG1 4.25Å; Y216-L227 HydrophobicContact CD1-CD2 4.09Å; Y216-L227 HydrophobicContact CE1-CD2 4.45Å
217	G	98.5	Very high	97.6	Very high	19 Å²	19	54 Å²	54	20%	0.196	30%	0.298	C	S	.	.	H	α-helix	trans	-57.2	-44.4	177.1	0	0	0	0	0	113.2	L213 K214 S215 S223	L213-G217 PolarHBondContact O-N 2.88Å; K214-G217 PolarHBondContact O-N 2.86Å; S215-G217 VanDerWaalsContact C-N 3.32Å; S215-G217 PolarHBondContact O-N 2.82Å; G217-S223 PolarHBondContact O-OG 3.47Å
218	A	98.4	Very high	97.7	Very high	89 Å²	89	58 Å²	58	74%	0.736	31%	0.311	S	S	*	.	H	α-helix	trans	-74.9	-23.4	-179.6	0	0	0	0	0	114.1	K214 S215 Y216	K214-A218 WeakPolarHBondContact O-CB 3.23Å; K214-A218 PolarHBondContact O-N 3.26Å; S215-A218 PolarHBondContact O-N 3.11Å; Y216-A218 VanDerWaalsContact C-N 3.35Å; Y216-A218 PolarHBondContact O-N 3.41Å
219	S	98	Very high	97.7	Very high	49 Å²	49	60.7 Å²	60.7	34%	0.343	32%	0.322	S	S	.	.	H	α-helix	trans	-88.3	-15	-172.6	-58.8	0	0	0	0	114.1	Q139 S215 Y216	Q139-S219 VanDerWaalsContact CG-OG 3.31Å; Q139-S219 WeakPolarHBondContact CG-OG 3.3Å; S215-S219 VanDerWaalsContact O-CB 3.28Å; S215-S219 WeakPolarHBondContact O-CB 3.29Å; S215-S219 PolarHBondContact O-N 3.49Å; S215-S219 PolarHBondContact O-OG 2.98Å; Y216-S219 PolarHBondContact O-N 3.33Å
220	S	96.5	Very high	97.7	Very high	6 Å²	6	60.4 Å²	60.4	4%	0.042	32%	0.321	C	S	.	.			trans	-129.5	133.4	178.4	167	0	0	0	0	111.5	D146 K222 S223	D146-S220 VanDerWaalsContact CG-OG 3.29Å; D146-S220 WeakPolarHBondContact OD1-CB 3.48Å; D146-S220 PolarHBondContact OD1-OG 3.37Å; D146-S220 WeakPolarHBondContact OD2-CB 3.41Å; D146-S220 PolarHBondContact OD2-OG 3.41Å; S220-K222 PolarHBondContact O-N 2.86Å; S220-K222 PolarHBondContact OG-N 2.77Å; S220-S223 VanDerWaalsContact O-CB 3.32Å; S220-S223 WeakPolarHBondContact O-CB 3.48Å; S220-S223 PolarHBondContact O-N 2.56Å; S220-S223 PolarHBondContact O-OG 3.07Å; S220-S223 PolarHBondContact OG-N 3.23Å
221	K	93.5	Very high	97.7	Very high	216 Å²	216	58 Å²	58	94%	0.939	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-17.7	171.5	-63.4	-177.5	-178.5	179.7	0	112.7
222	K	93.9	Very high	97.6	Very high	108 Å²	108	60.2 Å²	60.2	47%	0.47	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	4.4	-179.7	-57.4	176.3	-175.8	173	0	112.2	S220 P225	S220-K222 PolarHBondContact O-N 2.86Å; S220-K222 PolarHBondContact OG-N 2.77Å; K222-P225 WeakPolarHBondContact O-CD 3.24Å
223	S	97.1	Very high	97.4	Very high	11 Å²	11	60.8 Å²	60.8	8%	0.077	32%	0.324	C	S	.	.	H	α-helix	trans	-70	-33.9	-172.5	65.6	0	0	0	0	113.7	G217 S220 V226 L227	G217-S223 PolarHBondContact O-OG 3.47Å; S220-S223 VanDerWaalsContact O-CB 3.32Å; S220-S223 WeakPolarHBondContact O-CB 3.48Å; S220-S223 PolarHBondContact O-N 2.56Å; S220-S223 PolarHBondContact O-OG 3.07Å; S220-S223 PolarHBondContact OG-N 3.23Å; S223-V226 CarbonylContact O-C 3.54Å; S223-V226 WeakPolarHBondContact O-CA 3.1Å; S223-V226 WeakPolarHBondContact O-CB 3.48Å; S223-V226 PolarHBondContact O-N 2.99Å; S223-L227 WeakPolarHBondContact O-CG 3.37Å; S223-L227 PolarHBondContact O-N 3.43Å
224	S	97.8	Very high	97.3	Very high	88 Å²	88	62.1 Å²	62.1	62%	0.615	33%	0.327	S	S	*	.	H	α-helix	trans	-57.8	-50.7	-173.1	173.6	0	0	0	0	113.6	V226 L227 K228	S224-V226 VanDerWaalsContact C-N 3.25Å; S224-V226 PolarHBondContact O-N 2.97Å; S224-L227 PolarHBondContact O-N 3.34Å; S224-K228 PolarHBondContact O-N 3.03Å; S224-K228 VanDerWaalsContact O-N 3.08Å
225	P	98	Very high	97	Very high	69 Å²	69	58.8 Å²	58.8	45%	0.448	32%	0.317	S	S	.	.	H	α-helix	trans	-59.1	-34.5	172.8	-25.3	34.7	0	0	0	113.8	P184 K222 K229	P184-P225 HydrophobicContact CB-CB 3.99Å; P184-P225 HydrophobicContact CG-CB 3.94Å; K222-P225 WeakPolarHBondContact O-CD 3.24Å; P225-K229 WeakPolarHBondContact O-CB 3.3Å; P225-K229 PolarHBondContact O-N 3.48Å; P225-K229 VanDerWaalsContact O-N 3.15Å
226	V	98.6	Very high	96.5	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.018	33%	0.333	C	S	.	.	H	α-helix	trans	-68.8	-46.9	179.7	178.6	0	0	0	0	111	P184 K187 L191 Y216 S223 S224 K228 K229 L230	P184-V226 HydrophobicContact CB-CG2 4.21Å; K187-V226 HydrophobicContact CB-CB 4.35Å; K187-V226 HydrophobicContact CB-CG1 3.56Å; K187-V226 HydrophobicContact CB-CG2 3.81Å; K187-V226 HydrophobicContact CD-CG2 3.82Å; K187-V226 HydrophobicContact CG-CG2 4.43Å; L191-V226 HydrophobicContact CD1-CG1 3.81Å; Y216-V226 HydrophobicContact CE1-CG1 4.25Å; S223-V226 CarbonylContact O-C 3.54Å; S223-V226 WeakPolarHBondContact O-CA 3.1Å; S223-V226 WeakPolarHBondContact O-CB 3.48Å; S223-V226 PolarHBondContact O-N 2.99Å; S224-V226 VanDerWaalsContact C-N 3.25Å; S224-V226 PolarHBondContact O-N 2.97Å; V226-K228 VanDerWaalsContact C-N 3.35Å; V226-K228 PolarHBondContact O-N 3.14Å; V226-K229 CarbonylContact O-C 3.53Å; V226-K229 WeakPolarHBondContact O-CA 3.43Å; V226-K229 WeakPolarHBondContact O-CB 3.26Å; V226-K229 PolarHBondContact O-N 3.18Å; V226-L230 PolarHBondContact O-N 2.94Å
227	L	98.4	Very high	95.5	Very high	45 Å²	45	64.1 Å²	64.1	24%	0.236	34%	0.339	C	S	.	.	H	α-helix	trans	-64.7	-39.8	179.4	-67.9	177.5	0	0	0	111.5	L191 L213 Y216 S223 S224 K229 L230 D231	L191-L227 HydrophobicContact CD1-CD2 4.31Å; L213-L227 HydrophobicContact CD2-CD2 4.22Å; Y216-L227 HydrophobicContact CD1-CD2 4.09Å; Y216-L227 HydrophobicContact CE1-CD2 4.45Å; S223-L227 WeakPolarHBondContact O-CG 3.37Å; S223-L227 PolarHBondContact O-N 3.43Å; S224-L227 PolarHBondContact O-N 3.34Å; L227-K229 PolarHBondContact O-N 3.2Å; L227-L230 HydrophobicContact CD2-CD2 4.37Å; L227-L230 WeakPolarHBondContact O-CB 3.5Å; L227-L230 PolarHBondContact O-N 3Å; L227-D231 PolarHBondContact O-N 2.9Å; L227-D231 VanDerWaalsContact O-N 3.13Å
228	K	98.1	Very high	94.2	Very high	144 Å²	144	71 Å²	71	63%	0.626	36%	0.359	S	S	*	.	H	α-helix	trans	-57	-39.7	170.6	-176.1	177.2	179.7	178.5	0	111.4	S224 V226 D231 E232	S224-K228 PolarHBondContact O-N 3.03Å; S224-K228 VanDerWaalsContact O-N 3.08Å; V226-K228 VanDerWaalsContact C-N 3.35Å; V226-K228 PolarHBondContact O-N 3.14Å; K228-D231 PolarHBondContact O-N 3.36Å; K228-E232 PolarHBondContact O-N 3.44Å
229	K	98	Very high	92.3	Very high	57 Å²	57	74 Å²	74	25%	0.248	36%	0.356	C	S	.	.	H	α-helix	trans	-75.4	-33.8	-178.7	-142.3	45.4	146.6	177.6	0	113.2	E185 P225 V226 L227 D231 E232 V233	E185-K229 HydrophobicContact CB-CG 4.06Å; E185-K229 WeakPolarHBondContact OE2-CD 3.29Å; E185-K229 WeakPolarHBondContact OE2-CE 3.44Å; E185-K229 WeakPolarHBondContact OE2-CG 2.92Å; P225-K229 WeakPolarHBondContact O-CB 3.3Å; P225-K229 PolarHBondContact O-N 3.48Å; P225-K229 VanDerWaalsContact O-N 3.15Å; V226-K229 CarbonylContact O-C 3.53Å; V226-K229 WeakPolarHBondContact O-CA 3.43Å; V226-K229 WeakPolarHBondContact O-CB 3.26Å; V226-K229 PolarHBondContact O-N 3.18Å; L227-K229 PolarHBondContact O-N 3.2Å; K229-D231 VanDerWaalsContact C-N 3.29Å; K229-D231 PolarHBondContact O-N 2.93Å; K229-E232 HydrophobicContact CD-CB 4.24Å; K229-E232 VanDerWaalsContact CD-CD 3.44Å; K229-E232 HydrophobicContact CD-CG 4.26Å; K229-E232 WeakPolarHBondContact CD-OE1 3.32Å; K229-E232 WeakPolarHBondContact CD-OE2 3.37Å; K229-E232 WeakPolarHBondContact CE-OE2 3.46Å; K229-E232 IonicContact NZ-OE1 3.98Å; K229-E232 PolarHBondContact NZ-OE1 3.36Å; K229-E232 IonicContact NZ-OE2 3.95Å; K229-E232 PolarHBondContact NZ-OE2 2.89Å; K229-E232 PolarHBondContact O-N 3.03Å; K229-V233 VanDerWaalsContact O-CG2 3.3Å; K229-V233 WeakPolarHBondContact O-CG2 3.38Å; K229-V233 PolarHBondContact O-N 2.84Å
230	L	98.2	Very high	90.3	Very high	2 Å²	2	81.8 Å²	81.8	1%	0.01	38%	0.377	C	S	.	.	H	α-helix	trans	-54.7	-45.2	167.2	171.9	61.3	0	0	0	111.2	L191 Y192 L213 V226 L227 E232 V233 R234	L191-L230 HydrophobicContact CB-CD1 4.23Å; L191-L230 HydrophobicContact CB-CD2 4.24Å; L191-L230 HydrophobicContact CD1-CD2 4.37Å; Y192-L230 HydrophobicContact CD2-CD1 4.29Å; L213-L230 HydrophobicContact CD1-CD2 4.29Å; L213-L230 HydrophobicContact CD2-CD2 3.68Å; V226-L230 PolarHBondContact O-N 2.94Å; L227-L230 HydrophobicContact CD2-CD2 4.37Å; L227-L230 WeakPolarHBondContact O-CB 3.5Å; L227-L230 PolarHBondContact O-N 3Å; L230-E232 PolarHBondContact O-N 2.97Å; L230-V233 PolarHBondContact O-N 3.31Å; L230-R234 HydrophobicContact CD1-CG 4.34Å; L230-R234 WeakPolarHBondContact O-CG 3.41Å; L230-R234 PolarHBondContact O-N 2.87Å
231	D	97.5	Very high	88.3	Confident	81 Å²	81	86.1 Å²	86.1	43%	0.433	41%	0.408	S	S	.	.	H	α-helix	trans	-62.8	-40.2	177.5	-67.5	-30.4	0	0	0	112.7	L227 K228 K229 R234 L235	L227-D231 PolarHBondContact O-N 2.9Å; L227-D231 VanDerWaalsContact O-N 3.13Å; K228-D231 PolarHBondContact O-N 3.36Å; K229-D231 VanDerWaalsContact C-N 3.29Å; K229-D231 PolarHBondContact O-N 2.93Å; D231-R234 WeakPolarHBondContact O-CB 3.34Å; D231-R234 PolarHBondContact O-N 3.02Å; D231-R234 IonicContact OD1-CZ 3.74Å; D231-R234 IonicContact OD1-NH1 2.9Å; D231-R234 PolarHBondContact OD1-NH1 3.45Å; D231-L235 WeakPolarHBondContact O-CG 3.44Å; D231-L235 PolarHBondContact O-N 3.39Å; D231-L235 VanDerWaalsContact O-N 3.08Å
232	E	97.1	Very high	85.9	Confident	63 Å²	63	82.7 Å²	82.7	29%	0.294	40%	0.397	S	S	.	.	H	α-helix	trans	-65.1	-38	174	-65.7	-177.6	-142	0	0	113	K228 K229 L230 L235 R236	K228-E232 PolarHBondContact O-N 3.44Å; K229-E232 HydrophobicContact CD-CB 4.24Å; K229-E232 VanDerWaalsContact CD-CD 3.44Å; K229-E232 HydrophobicContact CD-CG 4.26Å; K229-E232 WeakPolarHBondContact CD-OE1 3.32Å; K229-E232 WeakPolarHBondContact CD-OE2 3.37Å; K229-E232 WeakPolarHBondContact CE-OE2 3.46Å; K229-E232 IonicContact NZ-OE1 3.98Å; K229-E232 PolarHBondContact NZ-OE1 3.36Å; K229-E232 IonicContact NZ-OE2 3.95Å; K229-E232 PolarHBondContact NZ-OE2 2.89Å; K229-E232 PolarHBondContact O-N 3.03Å; L230-E232 PolarHBondContact O-N 2.97Å; E232-L235 PolarHBondContact O-N 3.39Å; E232-R236 WeakPolarHBondContact O-CG 3.33Å; E232-R236 PolarHBondContact O-N 3.4Å; E232-R236 VanDerWaalsContact O-N 3.15Å; E232-R236 PolarHBondContact O-NE 2.97Å; E232-R236 IonicContact OE2-NH2 2.96Å
233	V	94.6	Very high	83.5	Confident	14 Å²	14	84 Å²	84	9%	0.085	41%	0.413	C	S	.	.	H	α-helix	trans	-66.2	-42.4	175.9	174.3	0	0	0	0	110.2	V189 Y192 K229 L230 L235 R236 G237	V189-V233 HydrophobicContact CG2-CG1 4.45Å; V189-V233 HydrophobicContact CG2-CG2 3.85Å; Y192-V233 HydrophobicContact CD1-CG1 3.59Å; Y192-V233 HydrophobicContact CD2-CG1 4.04Å; Y192-V233 HydrophobicContact CE1-CG1 4.19Å; Y192-V233 HydrophobicContact CG-CG1 3.49Å; Y192-V233 VanDerWaalsContact CG-CG1 3.49Å; K229-V233 VanDerWaalsContact O-CG2 3.3Å; K229-V233 WeakPolarHBondContact O-CG2 3.38Å; K229-V233 PolarHBondContact O-N 2.84Å; L230-V233 PolarHBondContact O-N 3.31Å; V233-L235 VanDerWaalsContact C-N 3.32Å; V233-L235 PolarHBondContact O-N 2.96Å; V233-R236 PolarHBondContact O-N 3.22Å; V233-R236 VanDerWaalsContact O-N 3.15Å; V233-G237 PolarHBondContact O-N 2.93Å
234	R	94.9	Very high	80.8	Confident	52 Å²	52	89.5 Å²	89.5	20%	0.196	47%	0.472	C	S	.	.	H	α-helix	trans	-55.8	-45.1	173.7	-74.2	166.3	167.9	167.5	-8.8	111.8	Y192 E195 L230 D231 R236 G237 R238	Y192-R234 HydrophobicContact CD2-CG 3.94Å; Y192-R234 HydrophobicContact CE2-CG 4.04Å; E195-R234 IonicContact OE1-CZ 2.63Å; E195-R234 VanDerWaalsContact OE1-CZ 3.31Å; E195-R234 IonicContact OE1-NE 2.57Å; E195-R234 PolarHBondContact OE1-NE 2.63Å; E195-R234 VanDerWaalsContact OE1-NE 3.15Å; E195-R234 IonicContact OE1-NH2 2.66Å; E195-R234 PolarHBondContact OE1-NH2 3.16Å; E195-R234 IonicContact OE2-CZ 3.25Å; E195-R234 IonicContact OE2-NE 3.41Å; E195-R234 PolarHBondContact OE2-NE 3.13Å; E195-R234 IonicContact OE2-NH2 3.7Å; L230-R234 HydrophobicContact CD1-CG 4.34Å; L230-R234 WeakPolarHBondContact O-CG 3.41Å; L230-R234 PolarHBondContact O-N 2.87Å; D231-R234 WeakPolarHBondContact O-CB 3.34Å; D231-R234 PolarHBondContact O-N 3.02Å; D231-R234 IonicContact OD1-CZ 3.74Å; D231-R234 IonicContact OD1-NH1 2.9Å; D231-R234 PolarHBondContact OD1-NH1 3.45Å; R234-R236 PolarHBondContact O-N 3.35Å; R234-G237 PolarHBondContact O-N 2.9Å; R234-R238 WeakPolarHBondContact O-CG 3.42Å; R234-R238 PolarHBondContact O-N 2.98Å
235	L	91.9	Very high	79.9	Confident	104 Å²	104	89.6 Å²	89.6	55%	0.545	47%	0.465	S	S	.	.	H	α-helix	trans	-62.4	-40.6	177.4	-70.3	173.4	0	0	0	112.4	D231 E232 V233 K239	D231-L235 WeakPolarHBondContact O-CG 3.44Å; D231-L235 PolarHBondContact O-N 3.39Å; D231-L235 VanDerWaalsContact O-N 3.08Å; E232-L235 PolarHBondContact O-N 3.39Å; V233-L235 VanDerWaalsContact C-N 3.32Å; V233-L235 PolarHBondContact O-N 2.96Å; L235-K239 PolarHBondContact O-N 3.38Å
236	R	89.3	Confident	79	Confident	113 Å²	113	90.7 Å²	90.7	43%	0.426	47%	0.466	S	S	.	.	H	α-helix	trans	-65.8	-39.4	175.2	-71.8	178.9	-101.4	170.2	-4.6	111.9	E185 E232 V233 R234 K239 R240	E185-R236 IonicContact OE1-CZ 3.93Å; E185-R236 VanDerWaalsContact OE1-CZ 3.27Å; E185-R236 IonicContact OE1-NH1 3.79Å; E185-R236 PolarHBondContact OE1-NH1 2.93Å; E185-R236 IonicContact OE1-NH2 3.65Å; E185-R236 PolarHBondContact OE1-NH2 3.2Å; E185-R236 IonicContact OE2-CZ 2.71Å; E185-R236 IonicContact OE2-NH1 4Å; E185-R236 IonicContact OE2-NH2 3.61Å; E185-R236 PolarHBondContact OE2-NH2 3.29Å; E232-R236 WeakPolarHBondContact O-CG 3.33Å; E232-R236 PolarHBondContact O-N 3.4Å; E232-R236 VanDerWaalsContact O-N 3.15Å; E232-R236 PolarHBondContact O-NE 2.97Å; E232-R236 IonicContact OE2-NH2 2.96Å; V233-R236 PolarHBondContact O-N 3.22Å; V233-R236 VanDerWaalsContact O-N 3.15Å; R234-R236 PolarHBondContact O-N 3.35Å; R236-K239 PolarHBondContact O-N 3.4Å; R236-R240 PolarHBondContact O-N 3.48Å
237	G	77.5	Confident	77.9	Confident	13 Å²	13	95.6 Å²	95.6	13%	0.134	49%	0.491	C	S	.	.	H	α-helix	trans	-64.8	-40.5	176.5	0	0	0	0	0	113.6	V233 R234 K239 R240 S241	V233-G237 PolarHBondContact O-N 2.93Å; R234-G237 PolarHBondContact O-N 2.9Å; G237-K239 VanDerWaalsContact C-N 3.35Å; G237-K239 PolarHBondContact O-N 3.49Å; G237-R240 PolarHBondContact O-N 3.05Å; G237-S241 PolarHBondContact O-N 3.41Å; G237-S241 PolarHBondContact O-OG 3.09Å
238	R	71.8	Confident	76.7	Confident	163 Å²	163	98.5 Å²	98.5	62%	0.615	51%	0.506	S	S	*	.	H	α-helix	trans	-61.6	-40.4	176.2	-72	176.4	-174.5	-174	1.6	112.4	R234 R240 S241 M242	R234-R238 WeakPolarHBondContact O-CG 3.42Å; R234-R238 PolarHBondContact O-N 2.98Å; R238-R240 VanDerWaalsContact C-N 3.26Å; R238-R240 PolarHBondContact O-N 3.44Å; R238-S241 PolarHBondContact O-N 3.45Å; R238-S241 VanDerWaalsContact O-N 3.15Å; R238-M242 PolarHBondContact O-N 2.99Å
239	K	57.8	Low	75.3	Confident	153 Å²	153	95.7 Å²	95.7	67%	0.665	50%	0.498	S	S	*	.	H	α-helix	trans	-61	-33.7	176.5	-72.4	-174	178.8	-174.7	0	112.6	L235 R236 G237 V243	L235-K239 PolarHBondContact O-N 3.38Å; R236-K239 PolarHBondContact O-N 3.4Å; G237-K239 VanDerWaalsContact C-N 3.35Å; G237-K239 PolarHBondContact O-N 3.49Å; K239-V243 WeakPolarHBondContact O-CG2 3.36Å
240	R	55.6	Low	73.8	Confident	212 Å²	212	98.3 Å²	98.3	80%	0.8	52%	0.515	S	S	*	.	H	α-helix	trans	-71	-31.6	176.4	-69	-177.5	176.7	-178.5	-1.2	113.1	R236 G237 R238	R236-R240 PolarHBondContact O-N 3.48Å; G237-R240 PolarHBondContact O-N 3.05Å; R238-R240 VanDerWaalsContact C-N 3.26Å; R238-R240 PolarHBondContact O-N 3.44Å
241	S	54.4	Low	72.1	Confident	97 Å²	97	105.1 Å²	105.1	68%	0.678	55%	0.551	S	S	*	*	H	α-helix	trans	-75.3	-23.7	179.2	-53.6	0	0	0	0	113	G237 R238	G237-S241 PolarHBondContact O-N 3.41Å; G237-S241 PolarHBondContact O-OG 3.09Å; R238-S241 PolarHBondContact O-N 3.45Å; R238-S241 VanDerWaalsContact O-N 3.15Å
242	M	44.1	Very low	70.1	Confident	145 Å²	145	107 Å²	107	71%	0.714	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-7.9	178.3	-81.3	-175.3	-78.9	0	0	114.6	R238	R238-M242 PolarHBondContact O-N 2.99Å
243	V	43	Very low	67.9	Low	135 Å²	135	110.7 Å²	110.7	82%	0.818	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	12.9	-178.9	-166.9	0	0	0	0	111.5	K239	K239-V243 WeakPolarHBondContact O-CG2 3.36Å
244	G	39.8	Very low	65.5	Low	127 Å²	127	119.5 Å²	119.5	100%	1.309	63%	0.627	S	S	*	*			trans	-102.7	0	168.9	0	0	0	0	0	110.3

Retrieved 244 of 244 residues in 608.8 ms (Link to these results)

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