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Docking protein 4

DOK proteins are enzymatically inert adaptor or scaffolding proteins. They provide a docking platform for the assembly of multimolecular signaling complexes. DOK4 functions in RET-mediated neurite outgrowth and plays a positive role in activation of the MAP kinase pathway (By similarity). Putative link with downstream effectors of RET in neuronal differentiation. May be involved in the regulation of the immune response induced by T-cells.

AlphaFold DB , UniProt , Accession Q8TEW6, Species HUMAN (Homo sapiens, Human), Gene DOK4, Length 326 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	46.1	Very low	74.7	Confident	166 Å²	166	65.9 Å²	65.9	82%	0.818	36%	0.363	S	S	*	.				0	123.8	0	-82.3	-164.8	-87.6	0	0	111.7	D150 Y152	M1-D150 PolarHBondContact N-O 3.48Å; M1-D150 PolarHBondContact N-OD1 3.06Å; M1-Y152 VanDerWaalsContact O-O 3.06Å
2	A	48	Very low	76.5	Confident	49 Å²	49	61.3 Å²	61.3	41%	0.405	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	116.6	166.6	0	0	0	0	0	109.8	N4 Y152	A2-N4 PolarHBondContact O-N 2.92Å; A2-Y152 HydrophobicContact CB-CD2 4.17Å; A2-Y152 HydrophobicContact CB-CE2 3.24Å; A2-Y152 WeakPolarHBondContact CB-OH 3.46Å
3	T	56.9	Low	78	Confident	33 Å²	33	60.8 Å²	60.8	20%	0.202	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	99.6	163.7	51.3	0	0	0	0	108	F5 E154	T3-F5 PolarHBondContact O-N 3.49Å; T3-E154 PolarHBondContact OG1-N 2.84Å; T3-E154 PolarHBondContact OG1-O 2.99Å
4	N	56.8	Low	79.2	Confident	168 Å²	168	56.5 Å²	56.5	90%	0.898	31%	0.308	S	S	*	.			trans	-66	78.3	165.9	-85.6	-28.7	0	0	0	108.3	A2	A2-N4 PolarHBondContact O-N 2.92Å
5	F	66.7	Low	80.2	Confident	26 Å²	26	58.5 Å²	58.5	11%	0.114	31%	0.313	C	S	.	.			trans	-91.7	118.5	-176	-176.9	-86.6	0	0	0	109.7	T3 D7 K33 E154 I169	T3-F5 PolarHBondContact O-N 3.49Å; F5-D7 HydrophobicContact CD1-CB 4.44Å; F5-D7 HydrophobicContact CE1-CB 3.89Å; F5-K33 HydrophobicContact CE2-CD 4.46Å; F5-K33 HydrophobicContact CZ-CD 3.81Å; F5-K33 HydrophobicContact CZ-CG 4.3Å; F5-K33 VanDerWaalsContact CZ-NZ 3.27Å; F5-E154 HydrophobicContact CB-CB 3.85Å; F5-E154 HydrophobicContact CB-CG 3.6Å; F5-E154 HydrophobicContact CD1-CB 4.15Å; F5-E154 HydrophobicContact CD1-CG 3.57Å; F5-E154 HydrophobicContact CD2-CB 4.25Å; F5-E154 HydrophobicContact CE1-CG 4.29Å; F5-E154 HydrophobicContact CG-CB 3.85Å; F5-E154 HydrophobicContact CG-CG 3.67Å; F5-I169 HydrophobicContact CD2-CD1 3.78Å; F5-I169 HydrophobicContact CD2-CG1 4.29Å; F5-I169 HydrophobicContact CD2-CG2 4Å; F5-I169 HydrophobicContact CE1-CD1 4.14Å; F5-I169 HydrophobicContact CE2-CD1 3.23Å; F5-I169 HydrophobicContact CE2-CG1 3.66Å; F5-I169 HydrophobicContact CE2-CG2 4.17Å; F5-I169 HydrophobicContact CG-CD1 4.41Å; F5-I169 HydrophobicContact CZ-CD1 3.4Å; F5-I169 HydrophobicContact CZ-CG1 4.19Å
6	S	82.9	Confident	80.9	Confident	67 Å²	67	56.2 Å²	56.2	47%	0.469	30%	0.3	S	S	.	.			trans	-91.3	126.7	161.7	-176.1	0	0	0	0	108.7	I8 K33	S6-I8 WeakPolarHBondContact OG-CB 3.42Å; S6-I8 PolarHBondContact OG-N 3.29Å; S6-K33 WeakPolarHBondContact O-CE 3.31Å
7	D	89	Confident	81.4	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.011	31%	0.313	C	S	.	.			trans	-78.2	-8.9	169.5	67.4	-21.8	0	0	0	111.7	F5 V9 R32 K33 S35 R41	F5-D7 HydrophobicContact CD1-CB 4.44Å; F5-D7 HydrophobicContact CE1-CB 3.89Å; D7-V9 PolarHBondContact O-N 2.74Å; D7-R32 CarbonylContact O-C 3.59Å; D7-R32 WeakPolarHBondContact O-CA 3.21Å; D7-R32 WeakPolarHBondContact O-CB 3.25Å; D7-R32 IonicContact OD1-CZ 3.29Å; D7-R32 IonicContact OD1-NH1 3.54Å; D7-R32 PolarHBondContact OD1-NH1 3.38Å; D7-R32 WeakPolarHBondContact OD2-CD 3.39Å; D7-R32 IonicContact OD2-NH1 2.73Å; D7-K33 WeakPolarHBondContact O-CG 3.41Å; D7-K33 PolarHBondContact O-N 3.07Å; D7-S35 PolarHBondContact OD2-OG 3.4Å; D7-R41 IonicContact OD2-NH2 2.81Å; D7-R41 PolarHBondContact OD2-NH2 3.15Å
8	I	92.8	Very high	81.6	Confident	49 Å²	49	58.3 Å²	58.3	25%	0.251	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	117.2	175.7	-56	174.8	0	0	0	109	S6 Q11 V30 R32	S6-I8 WeakPolarHBondContact OG-CB 3.42Å; S6-I8 PolarHBondContact OG-N 3.29Å; I8-Q11 HydrophobicContact CG2-CB 4.3Å; I8-Q11 HydrophobicContact CG2-CG 4.25Å; I8-V30 HydrophobicContact CB-CG1 4.46Å; I8-V30 HydrophobicContact CD1-CG1 4.28Å; I8-V30 HydrophobicContact CG1-CG1 3.98Å; I8-V30 HydrophobicContact CG2-CG1 3.87Å; I8-R32 HydrophobicContact CG1-CG 4.37Å
9	V	92.8	Very high	81.6	Confident	44 Å²	44	65.6 Å²	65.6	27%	0.267	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-48.3	175.8	-178	0	0	0	0	110.3	D7 F31 K33 T106 E110	D7-V9 PolarHBondContact O-N 2.74Å; V9-F31 HydrophobicContact CB-CD1 3.79Å; V9-F31 HydrophobicContact CB-CE1 4.17Å; V9-F31 HydrophobicContact CG1-CD1 4.11Å; V9-F31 HydrophobicContact CG1-CE1 4.26Å; V9-F31 HydrophobicContact CG2-CD1 4.25Å; V9-F31 HydrophobicContact CG2-CE1 4.25Å; V9-F31 PolarHBondContact N-O 3.2Å; V9-K33 HydrophobicContact CG2-CB 3.67Å; V9-K33 HydrophobicContact CG2-CD 4.17Å; V9-K33 HydrophobicContact CG2-CG 3.75Å; V9-T106 HydrophobicContact CB-CG2 4.48Å; V9-T106 HydrophobicContact CG1-CG2 3.3Å; V9-E110 HydrophobicContact CG1-CG 3.91Å
10	K	94.6	Very high	81.6	Confident	37 Å²	37	72.5 Å²	72.5	16%	0.161	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	145.4	178.3	-167.4	170.6	179.2	73.3	0	110.3	F31 E102 W103 T106	K10-F31 PolarHBondContact N-O 2.97Å; K10-F31 PolarHBondContact O-N 3.24Å; K10-E102 IonicContact NZ-OE2 2.82Å; K10-E102 PolarHBondContact NZ-OE2 3.02Å; K10-W103 HydrophobicContact CB-CE3 4.3Å; K10-W103 HydrophobicContact CB-CH2 4.05Å; K10-W103 HydrophobicContact CB-CZ3 3.93Å; K10-W103 HydrophobicContact CD-CD2 3.57Å; K10-W103 HydrophobicContact CD-CE3 3.77Å; K10-W103 HydrophobicContact CD-CG 3.91Å; K10-W103 HydrophobicContact CD-CH2 4.48Å; K10-W103 HydrophobicContact CD-CZ2 4.32Å; K10-W103 HydrophobicContact CD-CZ3 4.23Å; K10-W103 VanDerWaalsContact CE-CD1 3.49Å; K10-W103 HydrophobicContact CG-CD2 4.09Å; K10-W103 HydrophobicContact CG-CE3 4.13Å; K10-W103 HydrophobicContact CG-CH2 3.96Å; K10-W103 HydrophobicContact CG-CZ2 3.92Å; K10-W103 HydrophobicContact CG-CZ3 4.06Å; K10-T106 HydrophobicContact CB-CG2 4.13Å; K10-T106 HydrophobicContact CD-CG2 4.46Å
11	Q	95.3	Very high	81.7	Confident	84 Å²	84	73.6 Å²	73.6	39%	0.393	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	156.5	175	59.3	-178	-7.1	0	0	110.7	I8 W28 L29 V30	I8-Q11 HydrophobicContact CG2-CB 4.3Å; I8-Q11 HydrophobicContact CG2-CG 4.25Å; Q11-W28 HydrophobicContact CB-CZ2 3.91Å; Q11-W28 HydrophobicContact CG-CZ2 3.7Å; Q11-L29 CarbonylContact C-O 3.49Å; Q11-L29 WeakPolarHBondContact CA-O 3.39Å; Q11-L29 WeakPolarHBondContact CB-O 3.46Å; Q11-V30 HydrophobicContact CB-CB 4.41Å; Q11-V30 HydrophobicContact CB-CG1 4.35Å; Q11-V30 HydrophobicContact CB-CG2 4.05Å
12	G	95.8	Very high	83.5	Confident	11 Å²	11	67.4 Å²	67.4	11%	0.113	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.4	170.4	179.3	0	0	0	0	0	113.5	W28 L29	G12-W28 VanDerWaalsContact C-CE3 3.41Å; G12-L29 PolarHBondContact N-O 3.11Å; G12-L29 PolarHBondContact O-N 2.7Å
13	Y	96	Very high	85.4	Confident	55 Å²	55	69.8 Å²	69.8	22%	0.216	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	135	172	-78.9	-72.5	0	0	0	111	R26 C27 W28 E48	Y13-R26 HydrophobicContact CD1-CG 3.84Å; Y13-R26 HydrophobicContact CG-CG 4.49Å; Y13-C27 WeakPolarHBondContact CA-O 3.31Å; Y13-W28 HydrophobicContact CD1-CE3 4.03Å; Y13-W28 AromaticContact CD2-CE3 3.48Å; Y13-W28 HydrophobicContact CD2-CE3 3.48Å; Y13-W28 VanDerWaalsContact CD2-CE3 3.48Å; Y13-W28 AromaticContact CD2-CZ3 3.46Å; Y13-W28 HydrophobicContact CD2-CZ3 3.46Å; Y13-W28 VanDerWaalsContact CD2-CZ3 3.46Å; Y13-W28 HydrophobicContact CE1-CB 4.38Å; Y13-W28 HydrophobicContact CE1-CE3 4.12Å; Y13-W28 AromaticContact CE2-CE3 3.56Å; Y13-W28 HydrophobicContact CE2-CE3 3.56Å; Y13-W28 AromaticContact CE2-CZ3 3.63Å; Y13-W28 HydrophobicContact CE2-CZ3 3.63Å; Y13-W28 AromaticContact CG-CE3 3.73Å; Y13-W28 HydrophobicContact CG-CE3 3.73Å; Y13-W28 HydrophobicContact CG-CZ3 4.11Å; Y13-W28 AromaticContact CZ-CE3 3.89Å; Y13-E48 PolarHBondContact OH-N 3.18Å
14	V	95.2	Very high	86.9	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	165.1	174	-56.9	0	0	0	0	109.9	M16 R26 C27 L29 F92 T93	V14-M16 HydrophobicContact CG2-CG 4.07Å; V14-R26 CarbonylContact O-C 3.53Å; V14-R26 WeakPolarHBondContact O-CA 3.04Å; V14-C27 PolarHBondContact N-O 3.37Å; V14-C27 PolarHBondContact O-N 2.96Å; V14-L29 HydrophobicContact CG1-CB 4.43Å; V14-L29 HydrophobicContact CG1-CD2 4.37Å; V14-L29 HydrophobicContact CG2-CB 3.8Å; V14-L29 HydrophobicContact CG2-CD2 3.96Å; V14-L29 HydrophobicContact CG2-CG 4.38Å; V14-F92 HydrophobicContact CB-CB 4.11Å; V14-F92 HydrophobicContact CB-CD2 3.99Å; V14-F92 HydrophobicContact CB-CG 4.39Å; V14-F92 HydrophobicContact CG1-CD2 3.64Å; V14-F92 HydrophobicContact CG1-CE2 4.13Å; V14-F92 HydrophobicContact CG1-CG 4.39Å; V14-F92 HydrophobicContact CG2-CB 3.96Å; V14-F92 HydrophobicContact CG2-CD2 4.43Å; V14-F92 HydrophobicContact CG2-CG 4.39Å; V14-T93 CarbonylContact C-O 3.53Å; V14-T93 WeakPolarHBondContact CA-O 3.49Å
15	K	93.7	Very high	88.6	Confident	87 Å²	87	71 Å²	71	38%	0.378	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.1	171.1	-64.9	171.1	-171.4	161.6	0	109.8	Y24 R25 F92 T93 D95	K15-Y24 HydrophobicContact CB-CD1 4.17Å; K15-R25 WeakPolarHBondContact CA-O 3.33Å; K15-F92 WeakPolarHBondContact O-CA 3.26Å; K15-T93 PolarHBondContact N-O 3.46Å; K15-T93 PolarHBondContact O-N 3.49Å; K15-D95 IonicContact NZ-OD1 3.71Å
16	M	92.5	Very high	89.9	Confident	21 Å²	21	76.4 Å²	76.4	10%	0.103	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	141.3	175.7	-64.4	-173.3	92.3	0	0	111	V14 S18 R25 L29 K44 F92	V14-M16 HydrophobicContact CG2-CG 4.07Å; M16-S18 PolarHBondContact O-N 2.9Å; M16-R25 PolarHBondContact N-O 3.24Å; M16-R25 PolarHBondContact O-N 2.94Å; M16-L29 HydrophobicContact SD-CD1 4.12Å; M16-K44 HydrophobicContact SD-CD 3.96Å; M16-F92 HydrophobicContact CE-CB 4.4Å; M16-F92 HydrophobicContact CG-CB 3.75Å
17	K	89.2	Confident	90.4	Very high	122 Å²	122	73.4 Å²	73.4	53%	0.53	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	126.8	175.7	-165.4	177.2	-178.8	-178.8	0	110.3	G22 Y24	K17-G22 WeakPolarHBondContact CE-O 3.44Å; K17-G22 WeakPolarHBondContact CG-O 3.48Å; K17-Y24 HydrophobicContact CB-CD1 4.44Å; K17-Y24 HydrophobicContact CB-CD2 4.43Å; K17-Y24 HydrophobicContact CB-CE1 4.1Å; K17-Y24 HydrophobicContact CB-CE2 4.07Å; K17-Y24 HydrophobicContact CD-CE2 4.15Å; K17-Y24 HydrophobicContact CG-CD2 4.41Å; K17-Y24 HydrophobicContact CG-CE2 4.09Å
18	S	85.2	Confident	90.7	Very high	29 Å²	29	74.3 Å²	74.3	20%	0.203	34%	0.339	C	S	.	.			trans	-69.6	130.3	171.2	178.6	0	0	0	0	110.2	M16 K20 L21 G22 I23	M16-S18 PolarHBondContact O-N 2.9Å; S18-K20 VanDerWaalsContact C-N 3.29Å; S18-K20 PolarHBondContact O-N 3.12Å; S18-K20 PolarHBondContact OG-N 3.37Å; S18-L21 PolarHBondContact OG-N 2.66Å; S18-G22 WeakPolarHBondContact O-CA 3.26Å; S18-G22 PolarHBondContact O-N 3.28Å; S18-I23 PolarHBondContact N-O 3.09Å
19	R	80.4	Confident	90.9	Very high	196 Å²	196	72 Å²	72	74%	0.74	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-33.4	172.7	-67.8	-171.5	-178.8	-174.9	-1.7	112.3
20	K	82.4	Confident	91	Very high	204 Å²	204	69.9 Å²	69.9	89%	0.887	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-38.1	-176.9	-66.4	-171.7	177.2	-174	0	113.1	S18	S18-K20 VanDerWaalsContact C-N 3.29Å; S18-K20 PolarHBondContact O-N 3.12Å; S18-K20 PolarHBondContact OG-N 3.37Å
21	L	83.2	Confident	91	Very high	96 Å²	96	68.1 Å²	68.1	50%	0.503	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-13.3	-170.7	-63.1	173.8	0	0	0	113.6	S18 I23	S18-L21 PolarHBondContact OG-N 2.66Å; L21-I23 HydrophobicContact CB-CD1 4.28Å; L21-I23 HydrophobicContact CB-CG1 4.43Å; L21-I23 PolarHBondContact O-N 3.33Å
22	G	84.7	Confident	91	Very high	36 Å²	36	65.5 Å²	65.5	37%	0.371	29%	0.293	S	S	.	.			trans	68.7	-6.6	-173.8	0	0	0	0	0	115.3	K17 S18	K17-G22 WeakPolarHBondContact CE-O 3.44Å; K17-G22 WeakPolarHBondContact CG-O 3.48Å; S18-G22 WeakPolarHBondContact O-CA 3.26Å; S18-G22 PolarHBondContact O-N 3.28Å
23	I	88.1	Confident	90.8	Very high	99 Å²	99	67.7 Å²	67.7	51%	0.508	30%	0.3	S	S	.	.			trans	-86.4	144	-177.9	-59.4	162.2	0	0	0	110.9	S18 L21	S18-I23 PolarHBondContact N-O 3.09Å; L21-I23 HydrophobicContact CB-CD1 4.28Å; L21-I23 HydrophobicContact CB-CG1 4.43Å; L21-I23 PolarHBondContact O-N 3.33Å
24	Y	88.5	Confident	90.5	Very high	84 Å²	84	67.1 Å²	67.1	33%	0.329	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	126.7	170.3	-79.7	-97	0	0	0	110.7	K15 K17 K76	K15-Y24 HydrophobicContact CB-CD1 4.17Å; K17-Y24 HydrophobicContact CB-CD1 4.44Å; K17-Y24 HydrophobicContact CB-CD2 4.43Å; K17-Y24 HydrophobicContact CB-CE1 4.1Å; K17-Y24 HydrophobicContact CB-CE2 4.07Å; K17-Y24 HydrophobicContact CD-CE2 4.15Å; K17-Y24 HydrophobicContact CG-CD2 4.41Å; K17-Y24 HydrophobicContact CG-CE2 4.09Å; Y24-K76 WeakPolarHBondContact OH-CE 3.4Å; Y24-K76 PolarHBondContact OH-NZ 2.79Å
25	R	91.5	Very high	90.3	Very high	143 Å²	143	67.2 Å²	67.2	54%	0.54	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139.9	175.7	-68.1	-172.9	174.2	-172.2	-4.5	110.2	K15 M16	K15-R25 WeakPolarHBondContact CA-O 3.33Å; M16-R25 PolarHBondContact N-O 3.24Å; M16-R25 PolarHBondContact O-N 2.94Å
26	R	94.1	Very high	90.2	Very high	139 Å²	139	63.3 Å²	63.3	53%	0.525	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	136.4	170.3	-166.8	174.6	-171.3	-120.9	4.6	109	Y13 V14	Y13-R26 HydrophobicContact CD1-CG 3.84Å; Y13-R26 HydrophobicContact CG-CG 4.49Å; V14-R26 CarbonylContact O-C 3.53Å; V14-R26 WeakPolarHBondContact O-CA 3.04Å
27	C	94.1	Very high	90.1	Very high	3 Å²	3	66.9 Å²	66.9	2%	0.02	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	158.5	177	56.4	0	0	0	0	110	Y13 V14 K44 Y45	Y13-C27 WeakPolarHBondContact CA-O 3.31Å; V14-C27 PolarHBondContact N-O 3.37Å; V14-C27 PolarHBondContact O-N 2.96Å; C27-K44 HydrophobicContact CB-CD 4.48Å; C27-K44 HydrophobicContact CB-CG 4.09Å; C27-K44 VanDerWaalsContact SG-CE 3.59Å; C27-Y45 VanDerWaalsContact CB-O 3.26Å; C27-Y45 WeakPolarHBondContact CB-O 3.34Å
28	W	95.1	Very high	90.1	Very high	21 Å²	21	61.5 Å²	61.5	8%	0.08	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.9	171.5	-173.5	-101.1	0	0	0	109.7	Q11 G12 Y13 Y45 D47 E48 V51	Q11-W28 HydrophobicContact CB-CZ2 3.91Å; Q11-W28 HydrophobicContact CG-CZ2 3.7Å; G12-W28 VanDerWaalsContact C-CE3 3.41Å; Y13-W28 HydrophobicContact CD1-CE3 4.03Å; Y13-W28 AromaticContact CD2-CE3 3.48Å; Y13-W28 HydrophobicContact CD2-CE3 3.48Å; Y13-W28 VanDerWaalsContact CD2-CE3 3.48Å; Y13-W28 AromaticContact CD2-CZ3 3.46Å; Y13-W28 HydrophobicContact CD2-CZ3 3.46Å; Y13-W28 VanDerWaalsContact CD2-CZ3 3.46Å; Y13-W28 HydrophobicContact CE1-CB 4.38Å; Y13-W28 HydrophobicContact CE1-CE3 4.12Å; Y13-W28 AromaticContact CE2-CE3 3.56Å; Y13-W28 HydrophobicContact CE2-CE3 3.56Å; Y13-W28 AromaticContact CE2-CZ3 3.63Å; Y13-W28 HydrophobicContact CE2-CZ3 3.63Å; Y13-W28 AromaticContact CG-CE3 3.73Å; Y13-W28 HydrophobicContact CG-CE3 3.73Å; Y13-W28 HydrophobicContact CG-CZ3 4.11Å; Y13-W28 AromaticContact CZ-CE3 3.89Å; W28-Y45 PolarHBondContact N-O 2.85Å; W28-Y45 PolarHBondContact O-N 3.2Å; W28-D47 VanDerWaalsContact CB-C 3.44Å; W28-E48 HydrophobicContact CD2-CB 3.85Å; W28-E48 HydrophobicContact CD2-CG 4.23Å; W28-E48 HydrophobicContact CE3-CB 3.95Å; W28-E48 HydrophobicContact CE3-CG 4.45Å; W28-E48 HydrophobicContact CG-CB 4.28Å; W28-E48 HydrophobicContact CH2-CB 4.4Å; W28-E48 HydrophobicContact CH2-CG 4.04Å; W28-E48 HydrophobicContact CZ2-CB 4.34Å; W28-E48 HydrophobicContact CZ2-CG 3.82Å; W28-E48 HydrophobicContact CZ3-CB 4.22Å; W28-E48 HydrophobicContact CZ3-CG 4.36Å; W28-V51 VanDerWaalsContact CD1-CG2 3.41Å; W28-V51 HydrophobicContact CG-CG2 4.48Å
29	L	95.7	Very high	90.3	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.9	-177.8	-162.1	69.5	0	0	0	108.9	Q11 G12 V14 M16 L42 E43 K44 F92 W103	Q11-L29 CarbonylContact C-O 3.49Å; Q11-L29 WeakPolarHBondContact CA-O 3.39Å; Q11-L29 WeakPolarHBondContact CB-O 3.46Å; G12-L29 PolarHBondContact N-O 3.11Å; G12-L29 PolarHBondContact O-N 2.7Å; V14-L29 HydrophobicContact CG1-CB 4.43Å; V14-L29 HydrophobicContact CG1-CD2 4.37Å; V14-L29 HydrophobicContact CG2-CB 3.8Å; V14-L29 HydrophobicContact CG2-CD2 3.96Å; V14-L29 HydrophobicContact CG2-CG 4.38Å; M16-L29 HydrophobicContact SD-CD1 4.12Å; L29-L42 HydrophobicContact CD1-CD1 4.03Å; L29-L42 HydrophobicContact CD1-CD2 3.79Å; L29-L42 HydrophobicContact CD1-CG 3.6Å; L29-L42 HydrophobicContact CD2-CD1 3.81Å; L29-L42 HydrophobicContact CD2-CD2 4Å; L29-L42 HydrophobicContact CD2-CG 4.14Å; L29-L42 HydrophobicContact CG-CD1 3.67Å; L29-L42 HydrophobicContact CG-CD2 4.19Å; L29-L42 HydrophobicContact CG-CG 3.86Å; L29-E43 WeakPolarHBondContact CA-O 3.4Å; L29-K44 HydrophobicContact CD1-CB 4.27Å; L29-F92 HydrophobicContact CD2-CD1 3.88Å; L29-F92 HydrophobicContact CD2-CD2 4.4Å; L29-F92 HydrophobicContact CD2-CE1 4.01Å; L29-F92 HydrophobicContact CD2-CG 4.08Å; L29-F92 HydrophobicContact CD2-CZ 4.32Å; L29-W103 HydrophobicContact CB-CH2 4.4Å; L29-W103 HydrophobicContact CD2-CH2 4.25Å; L29-W103 HydrophobicContact CD2-CZ3 4.46Å; L29-W103 HydrophobicContact CG-CH2 4.43Å
30	V	95.2	Very high	90.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	118.5	176.5	-174.4	0	0	0	0	108	I8 Q11 R32 E43 Y45 V51	I8-V30 HydrophobicContact CB-CG1 4.46Å; I8-V30 HydrophobicContact CD1-CG1 4.28Å; I8-V30 HydrophobicContact CG1-CG1 3.98Å; I8-V30 HydrophobicContact CG2-CG1 3.87Å; Q11-V30 HydrophobicContact CB-CB 4.41Å; Q11-V30 HydrophobicContact CB-CG1 4.35Å; Q11-V30 HydrophobicContact CB-CG2 4.05Å; V30-R32 HydrophobicContact CG1-CG 3.94Å; V30-E43 HydrophobicContact CB-CB 4.29Å; V30-E43 PolarHBondContact N-O 2.81Å; V30-E43 PolarHBondContact O-N 2.85Å; V30-Y45 HydrophobicContact CB-CE2 4.34Å; V30-Y45 HydrophobicContact CG2-CD2 4.02Å; V30-Y45 HydrophobicContact CG2-CE2 3.84Å; V30-V51 HydrophobicContact CG2-CG2 4.27Å
31	F	95.6	Very high	91.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	122.4	171	177.7	-123.3	0	0	0	109.3	V9 K10 Q40 L42 I62 W103 T106 L107 E110	V9-F31 HydrophobicContact CB-CD1 3.79Å; V9-F31 HydrophobicContact CB-CE1 4.17Å; V9-F31 HydrophobicContact CG1-CD1 4.11Å; V9-F31 HydrophobicContact CG1-CE1 4.26Å; V9-F31 HydrophobicContact CG2-CD1 4.25Å; V9-F31 HydrophobicContact CG2-CE1 4.25Å; V9-F31 PolarHBondContact N-O 3.2Å; K10-F31 PolarHBondContact N-O 2.97Å; K10-F31 PolarHBondContact O-N 3.24Å; F31-Q40 HydrophobicContact CE2-CG 3.59Å; F31-Q40 HydrophobicContact CZ-CG 3.79Å; F31-L42 HydrophobicContact CB-CD1 3.81Å; F31-L42 HydrophobicContact CD2-CD1 4.17Å; F31-L42 HydrophobicContact CG-CD1 4.43Å; F31-I62 HydrophobicContact CE2-CB 4.45Å; F31-I62 HydrophobicContact CE2-CG1 4.29Å; F31-I62 HydrophobicContact CE2-CG2 4.47Å; F31-W103 HydrophobicContact CB-CH2 4.34Å; F31-W103 HydrophobicContact CB-CZ3 3.78Å; F31-T106 HydrophobicContact CD1-CG2 4.48Å; F31-L107 HydrophobicContact CD1-CD2 3.83Å; F31-L107 HydrophobicContact CD2-CD2 3.86Å; F31-L107 HydrophobicContact CE1-CD2 3.88Å; F31-L107 HydrophobicContact CE2-CD2 3.9Å; F31-L107 HydrophobicContact CG-CD2 3.83Å; F31-L107 HydrophobicContact CZ-CD2 3.92Å; F31-E110 HydrophobicContact CE1-CB 3.61Å; F31-E110 HydrophobicContact CE1-CG 3.94Å; F31-E110 HydrophobicContact CZ-CB 3.84Å
32	R	94	Very high	92	Very high	29 Å²	29	41.8 Å²	41.8	11%	0.109	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.5	180	-60.5	-179.4	-175.3	-89.3	-2.4	110.3	D7 I8 V30 Q40 R41 E43	D7-R32 CarbonylContact O-C 3.59Å; D7-R32 WeakPolarHBondContact O-CA 3.21Å; D7-R32 WeakPolarHBondContact O-CB 3.25Å; D7-R32 IonicContact OD1-CZ 3.29Å; D7-R32 IonicContact OD1-NH1 3.54Å; D7-R32 PolarHBondContact OD1-NH1 3.38Å; D7-R32 WeakPolarHBondContact OD2-CD 3.39Å; D7-R32 IonicContact OD2-NH1 2.73Å; I8-R32 HydrophobicContact CG1-CG 4.37Å; V30-R32 HydrophobicContact CG1-CG 3.94Å; R32-Q40 CarbonylContact O-C 3.5Å; R32-Q40 VanDerWaalsContact O-CA 3.28Å; R32-Q40 WeakPolarHBondContact O-CA 3.17Å; R32-Q40 WeakPolarHBondContact O-CG 3.41Å; R32-R41 HydrophobicContact CB-CG 4.24Å; R32-R41 PolarHBondContact N-O 3.46Å; R32-R41 PolarHBondContact O-N 3.4Å; R32-E43 VanDerWaalsContact CD-OE1 3.28Å; R32-E43 WeakPolarHBondContact CD-OE1 3.4Å; R32-E43 IonicContact CZ-OE1 2.92Å; R32-E43 IonicContact CZ-OE2 2.85Å; R32-E43 IonicContact NE-OE1 3.56Å; R32-E43 PolarHBondContact NE-OE1 2.86Å; R32-E43 IonicContact NE-OE2 2.98Å; R32-E43 PolarHBondContact NE-OE2 2.81Å; R32-E43 IonicContact NH2-OE2 2.98Å; R32-E43 PolarHBondContact NH2-OE2 2.92Å; R32-E43 VanDerWaalsContact NH2-OE2 3.12Å
33	K	91.5	Very high	92.5	Very high	56 Å²	56	40.7 Å²	40.7	24%	0.243	19%	0.185	C	C	.	.			trans	-74.8	165.2	168	55.8	175.3	166.9	173.4	0	110.6	F5 S6 D7 V9	F5-K33 HydrophobicContact CE2-CD 4.46Å; F5-K33 HydrophobicContact CZ-CD 3.81Å; F5-K33 HydrophobicContact CZ-CG 4.3Å; F5-K33 VanDerWaalsContact CZ-NZ 3.27Å; S6-K33 WeakPolarHBondContact O-CE 3.31Å; D7-K33 WeakPolarHBondContact O-CG 3.41Å; D7-K33 PolarHBondContact O-N 3.07Å; V9-K33 HydrophobicContact CG2-CB 3.67Å; V9-K33 HydrophobicContact CG2-CD 4.17Å; V9-K33 HydrophobicContact CG2-CG 3.75Å
34	S	89.6	Confident	92.8	Very high	44 Å²	44	39.1 Å²	39.1	31%	0.308	17%	0.174	S	C	.	.			trans	-60.3	138.1	173.2	-58.2	0	0	0	0	111.1	Q40 N140	S34-Q40 PolarHBondContact OG-N 3Å; S34-N140 WeakPolarHBondContact CB-ND2 3.31Å
35	S	91.8	Very high	93	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.014	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-155.5	-179.6	178.6	65.2	0	0	0	0	110.4	D7 K37 G38 N140	D7-S35 PolarHBondContact OD2-OG 3.4Å; S35-K37 PolarHBondContact O-N 3.38Å; S35-K37 PolarHBondContact OG-N 3.48Å; S35-G38 PolarHBondContact N-O 3.22Å; S35-G38 PolarHBondContact O-N 3.43Å; S35-G38 VanDerWaalsContact O-O 3.11Å; S35-N140 WeakPolarHBondContact O-CB 3.41Å
36	S	91.3	Very high	93	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.028	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-23.4	172	72.7	0	0	0	0	114.5	G38 F142 E154 Q212	S36-G38 VanDerWaalsContact C-N 3.32Å; S36-F142 VanDerWaalsContact CB-N 3.35Å; S36-E154 WeakPolarHBondContact CB-OE1 3.4Å; S36-E154 WeakPolarHBondContact CB-OE2 3.41Å; S36-E154 PolarHBondContact N-OE2 3.32Å; S36-E154 VanDerWaalsContact OG-CD 3.31Å; S36-E154 PolarHBondContact OG-OE1 3.07Å; S36-E154 PolarHBondContact OG-OE2 3.19Å; S36-Q212 WeakPolarHBondContact CB-O 3.5Å
37	K	90	Very high	92.8	Very high	97 Å²	97	29.7 Å²	29.7	42%	0.422	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-6.1	-178	-59	174.8	-172.7	165.5	0	113.5	S35 Q214	S35-K37 PolarHBondContact O-N 3.38Å; S35-K37 PolarHBondContact OG-N 3.48Å; K37-Q214 PolarHBondContact O-NE2 3.34Å
38	G	89.4	Confident	92.8	Very high	9 Å²	9	34.1 Å²	34.1	9%	0.093	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	135	179.8	177.4	0	0	0	0	0	113.6	S35 S36 R41	S35-G38 PolarHBondContact N-O 3.22Å; S35-G38 PolarHBondContact O-N 3.43Å; S35-G38 VanDerWaalsContact O-O 3.11Å; S36-G38 VanDerWaalsContact C-N 3.32Å; G38-R41 PolarHBondContact O-NH1 2.74Å
39	P	90.7	Very high	92.4	Very high	55 Å²	55	41.1 Å²	41.1	36%	0.357	21%	0.206	S	C	.	.	S	Bend	trans	-69.4	167.1	-175.1	30.1	-36.5	0	0	0	112.4	R41 E61	P39-R41 WeakPolarHBondContact O-CG 3.09Å; P39-R41 PolarHBondContact O-N 3.35Å; P39-R41 PolarHBondContact O-NH1 2.65Å; P39-E61 HydrophobicContact CB-CG 4.27Å; P39-E61 HydrophobicContact CG-CG 4.02Å
40	Q	92.3	Very high	92	Very high	26 Å²	26	42.2 Å²	42.2	12%	0.121	21%	0.214	C	C	.	.	S	Bend	trans	-54.2	127.9	171	-174.9	176.2	-83.9	0	0	110.6	F31 R32 S34 I62 E110 C111	F31-Q40 HydrophobicContact CE2-CG 3.59Å; F31-Q40 HydrophobicContact CZ-CG 3.79Å; R32-Q40 CarbonylContact O-C 3.5Å; R32-Q40 VanDerWaalsContact O-CA 3.28Å; R32-Q40 WeakPolarHBondContact O-CA 3.17Å; R32-Q40 WeakPolarHBondContact O-CG 3.41Å; S34-Q40 PolarHBondContact OG-N 3Å; Q40-I62 HydrophobicContact CG-CB 4.19Å; Q40-I62 PolarHBondContact NE2-O 3.02Å; Q40-I62 PolarHBondContact O-N 3.3Å; Q40-E110 PolarHBondContact OE1-O 3.39Å; Q40-C111 PolarHBondContact NE2-SG 2.89Å
41	R	94.4	Very high	91.2	Very high	25 Å²	25	43.7 Å²	43.7	9%	0.094	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	157	-169.4	64.8	-169.1	178.9	-81.1	-1.3	112.9	D7 R32 G38 P39 E43 V59 T60	D7-R41 IonicContact OD2-NH2 2.81Å; D7-R41 PolarHBondContact OD2-NH2 3.15Å; R32-R41 HydrophobicContact CB-CG 4.24Å; R32-R41 PolarHBondContact N-O 3.46Å; R32-R41 PolarHBondContact O-N 3.4Å; G38-R41 PolarHBondContact O-NH1 2.74Å; P39-R41 WeakPolarHBondContact O-CG 3.09Å; P39-R41 PolarHBondContact O-N 3.35Å; P39-R41 PolarHBondContact O-NH1 2.65Å; R41-E43 HydrophobicContact CG-CG 4.27Å; R41-E43 IonicContact CZ-OE1 2.82Å; R41-E43 IonicContact NE-OE1 3.76Å; R41-E43 PolarHBondContact NE-OE1 2.82Å; R41-E43 IonicContact NH2-OE1 3.05Å; R41-E43 PolarHBondContact NH2-OE1 2.96Å; R41-V59 HydrophobicContact CB-CG1 3.95Å; R41-V59 HydrophobicContact CG-CG1 4.3Å; R41-T60 CarbonylContact C-O 3.6Å; R41-T60 WeakPolarHBondContact CA-O 3.35Å
42	L	94.8	Very high	90.1	Very high	5 Å²	5	49 Å²	49	3%	0.026	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	118.7	171.6	-161.2	69.8	0	0	0	109.1	L29 F31 T60 I62	L29-L42 HydrophobicContact CD1-CD1 4.03Å; L29-L42 HydrophobicContact CD1-CD2 3.79Å; L29-L42 HydrophobicContact CD1-CG 3.6Å; L29-L42 HydrophobicContact CD2-CD1 3.81Å; L29-L42 HydrophobicContact CD2-CD2 4Å; L29-L42 HydrophobicContact CD2-CG 4.14Å; L29-L42 HydrophobicContact CG-CD1 3.67Å; L29-L42 HydrophobicContact CG-CD2 4.19Å; L29-L42 HydrophobicContact CG-CG 3.86Å; F31-L42 HydrophobicContact CB-CD1 3.81Å; F31-L42 HydrophobicContact CD2-CD1 4.17Å; F31-L42 HydrophobicContact CG-CD1 4.43Å; L42-T60 PolarHBondContact N-O 3.26Å; L42-T60 PolarHBondContact O-N 3.4Å; L42-I62 HydrophobicContact CB-CD1 3.95Å; L42-I62 HydrophobicContact CB-CG1 4.02Å
43	E	94.8	Very high	89.1	Confident	12 Å²	12	54.5 Å²	54.5	6%	0.056	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	126.2	178.4	-61	177.8	177.8	0	0	109.4	L29 V30 R32 R41 Y45 P57 V59	L29-E43 WeakPolarHBondContact CA-O 3.4Å; V30-E43 HydrophobicContact CB-CB 4.29Å; V30-E43 PolarHBondContact N-O 2.81Å; V30-E43 PolarHBondContact O-N 2.85Å; R32-E43 VanDerWaalsContact CD-OE1 3.28Å; R32-E43 WeakPolarHBondContact CD-OE1 3.4Å; R32-E43 IonicContact CZ-OE1 2.92Å; R32-E43 IonicContact CZ-OE2 2.85Å; R32-E43 IonicContact NE-OE1 3.56Å; R32-E43 PolarHBondContact NE-OE1 2.86Å; R32-E43 IonicContact NE-OE2 2.98Å; R32-E43 PolarHBondContact NE-OE2 2.81Å; R32-E43 IonicContact NH2-OE2 2.98Å; R32-E43 PolarHBondContact NH2-OE2 2.92Å; R32-E43 VanDerWaalsContact NH2-OE2 3.12Å; R41-E43 HydrophobicContact CG-CG 4.27Å; R41-E43 IonicContact CZ-OE1 2.82Å; R41-E43 IonicContact NE-OE1 3.76Å; R41-E43 PolarHBondContact NE-OE1 2.82Å; R41-E43 IonicContact NH2-OE1 3.05Å; R41-E43 PolarHBondContact NH2-OE1 2.96Å; E43-Y45 HydrophobicContact CB-CD2 4.26Å; E43-Y45 HydrophobicContact CB-CE2 3.49Å; E43-Y45 VanDerWaalsContact CB-CE2 3.49Å; E43-Y45 PolarHBondContact OE2-OH 2.91Å; E43-P57 HydrophobicContact CB-CB 3.98Å; E43-P57 HydrophobicContact CB-CG 4.2Å; E43-P57 HydrophobicContact CG-CG 4.19Å; E43-V59 HydrophobicContact CG-CG2 4.37Å
44	K	93.8	Very high	87.9	Confident	67 Å²	67	63 Å²	63	29%	0.291	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	123.8	176.3	179.1	-175.5	175.6	171.8	0	110.5	M16 C27 L29 K58	M16-K44 HydrophobicContact SD-CD 3.96Å; C27-K44 HydrophobicContact CB-CD 4.48Å; C27-K44 HydrophobicContact CB-CG 4.09Å; C27-K44 VanDerWaalsContact SG-CE 3.59Å; L29-K44 HydrophobicContact CD1-CB 4.27Å; K44-K58 HydrophobicContact CB-CB 4.36Å; K44-K58 PolarHBondContact N-O 3.4Å; K44-K58 PolarHBondContact O-N 2.82Å; K44-K58 VanDerWaalsContact O-N 3.12Å
45	Y	93.3	Very high	86.7	Confident	15 Å²	15	62.4 Å²	62.4	6%	0.059	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	153.8	175.3	-61.3	-95.7	0	0	0	110.7	C27 W28 V30 E43 D47 V51 P57	C27-Y45 VanDerWaalsContact CB-O 3.26Å; C27-Y45 WeakPolarHBondContact CB-O 3.34Å; W28-Y45 PolarHBondContact N-O 2.85Å; W28-Y45 PolarHBondContact O-N 3.2Å; V30-Y45 HydrophobicContact CB-CE2 4.34Å; V30-Y45 HydrophobicContact CG2-CD2 4.02Å; V30-Y45 HydrophobicContact CG2-CE2 3.84Å; E43-Y45 HydrophobicContact CB-CD2 4.26Å; E43-Y45 HydrophobicContact CB-CE2 3.49Å; E43-Y45 VanDerWaalsContact CB-CE2 3.49Å; E43-Y45 PolarHBondContact OE2-OH 2.91Å; Y45-D47 VanDerWaalsContact C-N 3.31Å; Y45-D47 WeakPolarHBondContact CB-O 3.35Å; Y45-D47 PolarHBondContact O-N 3.16Å; Y45-V51 HydrophobicContact CD1-CB 4.5Å; Y45-V51 HydrophobicContact CD1-CG2 3.94Å; Y45-V51 HydrophobicContact CD2-CG2 3.69Å; Y45-V51 HydrophobicContact CE1-CB 4.35Å; Y45-V51 HydrophobicContact CE1-CG2 4.12Å; Y45-V51 HydrophobicContact CE2-CG2 3.88Å; Y45-V51 HydrophobicContact CG-CG2 3.72Å; Y45-P57 HydrophobicContact CD1-CB 4.08Å; Y45-P57 HydrophobicContact CD2-CB 4.28Å; Y45-P57 HydrophobicContact CE1-CB 3.64Å; Y45-P57 HydrophobicContact CE1-CG 4.07Å; Y45-P57 HydrophobicContact CE2-CB 3.86Å; Y45-P57 HydrophobicContact CE2-CG 4.44Å; Y45-P57 HydrophobicContact CG-CB 4.38Å
46	P	91.2	Very high	85.9	Confident	94 Å²	94	68.6 Å²	68.6	61%	0.61	36%	0.363	S	S	*	.	S	Bend	trans	-58.7	-42.9	171.8	-23.3	34.3	0	0	0	112.4
47	D	91.3	Very high	85.6	Confident	58 Å²	58	70.1 Å²	70.1	31%	0.31	37%	0.373	S	S	.	.	S	Bend	trans	-152.2	174.3	-178.4	55.4	54.8	0	0	0	111.2	W28 Y45 K49 S50	W28-D47 VanDerWaalsContact CB-C 3.44Å; Y45-D47 VanDerWaalsContact C-N 3.31Å; Y45-D47 WeakPolarHBondContact CB-O 3.35Å; Y45-D47 PolarHBondContact O-N 3.16Å; D47-K49 PolarHBondContact OD1-N 3.26Å; D47-K49 VanDerWaalsContact OD1-N 3.13Å; D47-S50 VanDerWaalsContact CG-OG 3.31Å; D47-S50 WeakPolarHBondContact O-CB 3.39Å; D47-S50 PolarHBondContact O-N 3.31Å; D47-S50 WeakPolarHBondContact OD1-CB 3.47Å; D47-S50 PolarHBondContact OD1-N 3.4Å; D47-S50 PolarHBondContact OD1-OG 3.26Å
48	E	92	Very high	85.5	Confident	97 Å²	97	72 Å²	72	45%	0.453	38%	0.381	S	S	.	.	S	Bend	trans	-64	-38.5	179.5	-176.1	177	-169	0	0	112.7	Y13 W28 S50 V51	Y13-E48 PolarHBondContact OH-N 3.18Å; W28-E48 HydrophobicContact CD2-CB 3.85Å; W28-E48 HydrophobicContact CD2-CG 4.23Å; W28-E48 HydrophobicContact CE3-CB 3.95Å; W28-E48 HydrophobicContact CE3-CG 4.45Å; W28-E48 HydrophobicContact CG-CB 4.28Å; W28-E48 HydrophobicContact CH2-CB 4.4Å; W28-E48 HydrophobicContact CH2-CG 4.04Å; W28-E48 HydrophobicContact CZ2-CB 4.34Å; W28-E48 HydrophobicContact CZ2-CG 3.82Å; W28-E48 HydrophobicContact CZ3-CB 4.22Å; W28-E48 HydrophobicContact CZ3-CG 4.36Å; E48-S50 PolarHBondContact O-N 2.98Å; E48-V51 WeakPolarHBondContact O-CB 3.3Å; E48-V51 WeakPolarHBondContact O-CG2 3.4Å; E48-V51 PolarHBondContact O-N 2.9Å; E48-V51 VanDerWaalsContact O-N 3.1Å
49	K	88.4	Confident	85.6	Confident	167 Å²	167	75.2 Å²	75.2	73%	0.726	40%	0.399	S	S	*	.	H	α-helix	trans	-63.7	-31	-178.5	-62.1	-177.7	-179.7	-179.2	0	112	D47 V51 C52 L53	D47-K49 PolarHBondContact OD1-N 3.26Å; D47-K49 VanDerWaalsContact OD1-N 3.13Å; K49-V51 PolarHBondContact O-N 2.94Å; K49-C52 PolarHBondContact O-N 2.86Å; K49-L53 PolarHBondContact O-N 2.84Å
50	S	86.5	Confident	85.7	Confident	24 Å²	24	73.9 Å²	73.9	17%	0.168	39%	0.39	C	S	.	.	H	α-helix	trans	-64	-23.8	177.7	-60.1	0	0	0	0	113.3	D47 E48 G55	D47-S50 VanDerWaalsContact CG-OG 3.31Å; D47-S50 WeakPolarHBondContact O-CB 3.39Å; D47-S50 PolarHBondContact O-N 3.31Å; D47-S50 WeakPolarHBondContact OD1-CB 3.47Å; D47-S50 PolarHBondContact OD1-N 3.4Å; D47-S50 PolarHBondContact OD1-OG 3.26Å; E48-S50 PolarHBondContact O-N 2.98Å; S50-G55 PolarHBondContact O-N 3.22Å
51	V	78.5	Confident	85.7	Confident	32 Å²	32	77.6 Å²	77.6	19%	0.194	41%	0.407	C	S	.	.	H	α-helix	trans	-67	-43.1	176.2	-175.1	0	0	0	0	110.5	W28 V30 Y45 E48 K49 L53	W28-V51 VanDerWaalsContact CD1-CG2 3.41Å; W28-V51 HydrophobicContact CG-CG2 4.48Å; V30-V51 HydrophobicContact CG2-CG2 4.27Å; Y45-V51 HydrophobicContact CD1-CB 4.5Å; Y45-V51 HydrophobicContact CD1-CG2 3.94Å; Y45-V51 HydrophobicContact CD2-CG2 3.69Å; Y45-V51 HydrophobicContact CE1-CB 4.35Å; Y45-V51 HydrophobicContact CE1-CG2 4.12Å; Y45-V51 HydrophobicContact CE2-CG2 3.88Å; Y45-V51 HydrophobicContact CG-CG2 3.72Å; E48-V51 WeakPolarHBondContact O-CB 3.3Å; E48-V51 WeakPolarHBondContact O-CG2 3.4Å; E48-V51 PolarHBondContact O-N 2.9Å; E48-V51 VanDerWaalsContact O-N 3.1Å; K49-V51 PolarHBondContact O-N 2.94Å; V51-L53 VanDerWaalsContact C-N 3.35Å
52	C	72.2	Confident	85.5	Confident	112 Å²	112	76.7 Å²	76.7	76%	0.757	40%	0.404	S	S	*	.	H	α-helix	trans	-69.7	-33.4	-179	-60.7	0	0	0	0	112.3	K49 R54	K49-C52 PolarHBondContact O-N 2.86Å; C52-R54 PolarHBondContact O-N 3.44Å; C52-R54 VanDerWaalsContact O-N 3.12Å
53	L	74.2	Confident	85.2	Confident	144 Å²	144	78.7 Å²	78.7	75%	0.754	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	12.3	-176.6	-65.8	172	0	0	0	113.9	K49 V51 G55	K49-L53 PolarHBondContact O-N 2.84Å; V51-L53 VanDerWaalsContact C-N 3.35Å; L53-G55 PolarHBondContact O-N 3.49Å
54	R	65.7	Low	84.8	Confident	233 Å²	233	83.5 Å²	83.5	88%	0.879	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.7	33.1	-172.9	-70.4	-164.9	-170.3	-113.8	6.6	113.2	C52 C56	C52-R54 PolarHBondContact O-N 3.44Å; C52-R54 VanDerWaalsContact O-N 3.12Å; R54-C56 PolarHBondContact O-N 2.9Å
55	G	64.9	Low	84.6	Confident	33 Å²	33	81.1 Å²	81.1	34%	0.34	44%	0.435	S	S	.	.			trans	-60.3	138.5	173.3	0	0	0	0	0	109.4	S50 L53 P57	S50-G55 PolarHBondContact O-N 3.22Å; L53-G55 PolarHBondContact O-N 3.49Å; G55-P57 WeakPolarHBondContact O-CD 3.45Å
56	C	73.7	Confident	84.4	Confident	131 Å²	131	86 Å²	86	89%	0.885	46%	0.457	S	S	*	.			trans	-64.9	105	178.5	-62.4	0	0	0	0	109.7	R54	R54-C56 PolarHBondContact O-N 2.9Å
57	P	85	Confident	84.5	Confident	36 Å²	36	83.7 Å²	83.7	23%	0.234	44%	0.442	C	S	.	.			trans	-71.4	160.5	-179.2	30.4	-32.8	0	0	0	110.4	E43 Y45 G55 V59	E43-P57 HydrophobicContact CB-CB 3.98Å; E43-P57 HydrophobicContact CB-CG 4.2Å; E43-P57 HydrophobicContact CG-CG 4.19Å; Y45-P57 HydrophobicContact CD1-CB 4.08Å; Y45-P57 HydrophobicContact CD2-CB 4.28Å; Y45-P57 HydrophobicContact CE1-CB 3.64Å; Y45-P57 HydrophobicContact CE1-CG 4.07Å; Y45-P57 HydrophobicContact CE2-CB 3.86Å; Y45-P57 HydrophobicContact CE2-CG 4.44Å; Y45-P57 HydrophobicContact CG-CB 4.38Å; G55-P57 WeakPolarHBondContact O-CD 3.45Å; P57-V59 HydrophobicContact CG-CG2 3.83Å; P57-V59 PolarHBondContact O-N 2.89Å
58	K	89.3	Confident	84.6	Confident	138 Å²	138	81.3 Å²	81.3	60%	0.6	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	105.3	160.7	-175.7	171.2	-176.7	168.1	0	108.3	K44	K44-K58 HydrophobicContact CB-CB 4.36Å; K44-K58 PolarHBondContact N-O 3.4Å; K44-K58 PolarHBondContact O-N 2.82Å; K44-K58 VanDerWaalsContact O-N 3.12Å
59	V	91.5	Very high	84.6	Confident	76 Å²	76	79.3 Å²	79.3	46%	0.461	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	135.9	178.5	-173.8	0	0	0	0	110.2	R41 E43 P57	R41-V59 HydrophobicContact CB-CG1 3.95Å; R41-V59 HydrophobicContact CG-CG1 4.3Å; E43-V59 HydrophobicContact CG-CG2 4.37Å; P57-V59 HydrophobicContact CG-CG2 3.83Å; P57-V59 PolarHBondContact O-N 2.89Å
60	T	92.3	Very high	84.8	Confident	27 Å²	27	73.3 Å²	73.3	17%	0.166	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	113.7	163.7	-58.8	0	0	0	0	107.1	R41 L42 I62 R90	R41-T60 CarbonylContact C-O 3.6Å; R41-T60 WeakPolarHBondContact CA-O 3.35Å; L42-T60 PolarHBondContact N-O 3.26Å; L42-T60 PolarHBondContact O-N 3.4Å; T60-I62 HydrophobicContact CG2-CD1 4.26Å; T60-R90 HydrophobicContact CG2-CG 4.32Å
61	E	91.7	Very high	84.6	Confident	104 Å²	104	74.5 Å²	74.5	49%	0.486	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	136.7	170.8	-167.1	-174.7	131.1	0	0	109.6	P39 S63	P39-E61 HydrophobicContact CB-CG 4.27Å; P39-E61 HydrophobicContact CG-CG 4.02Å; E61-S63 WeakPolarHBondContact OE1-CB 3.38Å; E61-S63 PolarHBondContact OE1-OG 2.92Å
62	I	91.6	Very high	84.4	Confident	6 Å²	6	76.6 Å²	76.6	3%	0.031	42%	0.416	C	S	.	.			trans	-109.1	74.6	178.9	-54.5	-62.4	0	0	0	107.7	F31 Q40 L42 T60 V65 I82 F84 C111	F31-I62 HydrophobicContact CE2-CB 4.45Å; F31-I62 HydrophobicContact CE2-CG1 4.29Å; F31-I62 HydrophobicContact CE2-CG2 4.47Å; Q40-I62 HydrophobicContact CG-CB 4.19Å; Q40-I62 PolarHBondContact NE2-O 3.02Å; Q40-I62 PolarHBondContact O-N 3.3Å; L42-I62 HydrophobicContact CB-CD1 3.95Å; L42-I62 HydrophobicContact CB-CG1 4.02Å; T60-I62 HydrophobicContact CG2-CD1 4.26Å; I62-V65 HydrophobicContact CG2-CG2 3.42Å; I62-V65 VanDerWaalsContact CG2-CG2 3.42Å; I62-I82 HydrophobicContact CD1-CD1 4.17Å; I62-F84 HydrophobicContact CD1-CE1 4.16Å; I62-F84 HydrophobicContact CD1-CZ 3.76Å; I62-C111 VanDerWaalsContact CG2-SG 3.58Å
63	S	86.8	Confident	84.1	Confident	47 Å²	47	79.2 Å²	79.2	33%	0.329	41%	0.414	S	S	.	.			trans	-111.9	156.3	170.1	47.5	0	0	0	0	109.7	E61 V65 F84	E61-S63 WeakPolarHBondContact OE1-CB 3.38Å; E61-S63 PolarHBondContact OE1-OG 2.92Å; S63-V65 PolarHBondContact O-N 3.38Å; S63-F84 WeakPolarHBondContact O-CD1 3.35Å
64	N	86.4	Confident	83.5	Confident	113 Å²	113	80.4 Å²	80.4	60%	0.604	42%	0.416	S	S	*	.	S	Bend	trans	54.9	48.2	176.7	-49.9	-40.8	0	0	0	114.2	K66 F84 T85	N64-K66 PolarHBondContact O-N 3.41Å; N64-F84 CarbonylContact O-C 3.55Å; N64-F84 WeakPolarHBondContact O-CA 3.47Å; N64-T85 HydrophobicContact CB-CG2 4.1Å; N64-T85 WeakPolarHBondContact CB-OG1 3.42Å; N64-T85 WeakPolarHBondContact O-CG2 3.27Å; N64-T85 PolarHBondContact O-N 2.9Å
65	V	90.1	Very high	83.6	Confident	16 Å²	16	74 Å²	74	10%	0.097	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	122.7	175.2	-179.3	0	0	0	0	109.5	I62 S63 V68 I82 F84 C111 L112	I62-V65 HydrophobicContact CG2-CG2 3.42Å; I62-V65 VanDerWaalsContact CG2-CG2 3.42Å; S63-V65 PolarHBondContact O-N 3.38Å; V65-V68 HydrophobicContact CG1-CG2 4.12Å; V65-I82 HydrophobicContact CG1-CG2 3.82Å; V65-I82 HydrophobicContact CG2-CG2 3.88Å; V65-F84 HydrophobicContact CG2-CE1 4.35Å; V65-C111 HydrophobicContact CB-CB 4Å; V65-C111 HydrophobicContact CG1-CB 4.04Å; V65-C111 HydrophobicContact CG2-CB 3.9Å; V65-L112 HydrophobicContact CB-CD2 4.36Å; V65-L112 HydrophobicContact CG1-CD2 3.98Å
66	K	90.3	Very high	84.1	Confident	118 Å²	118	76.2 Å²	76.2	51%	0.513	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-49.7	175.5	179	174.5	176.2	173.5	0	110.7	N64 I83 T85 D87	N64-K66 PolarHBondContact O-N 3.41Å; K66-I83 HydrophobicContact CB-CG2 4.4Å; K66-I83 WeakPolarHBondContact CB-O 3.39Å; K66-I83 HydrophobicContact CD-CG2 4.26Å; K66-I83 PolarHBondContact N-O 2.97Å; K66-T85 HydrophobicContact CB-CG2 4.41Å; K66-D87 IonicContact NZ-OD1 2.65Å; K66-D87 PolarHBondContact NZ-OD1 3.46Å
67	C	91.8	Very high	84.4	Confident	45 Å²	45	76.5 Å²	76.5	30%	0.304	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	163.2	172.8	60.7	0	0	0	0	111.6	I83	C67-I83 PolarHBondContact N-O 3.22Å; C67-I83 PolarHBondContact O-N 3.31Å
68	V	93.1	Very high	84.6	Confident	9 Å²	9	78 Å²	78	6%	0.055	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.1	168	-171.7	0	0	0	0	106.8	V65 V80 A81 Y104 L107 C111	V65-V68 HydrophobicContact CG1-CG2 4.12Å; V68-V80 HydrophobicContact CG1-CG1 3.91Å; V68-A81 CarbonylContact C-O 3.55Å; V68-A81 WeakPolarHBondContact CA-O 3.49Å; V68-Y104 HydrophobicContact CB-CD2 4.42Å; V68-Y104 HydrophobicContact CB-CE2 4.48Å; V68-Y104 HydrophobicContact CG1-CD2 3.91Å; V68-Y104 HydrophobicContact CG1-CE2 4.45Å; V68-Y104 WeakPolarHBondContact O-CE2 3.15Å; V68-L107 HydrophobicContact CG1-CB 3.91Å; V68-L107 HydrophobicContact CG1-CD1 4.41Å; V68-L107 HydrophobicContact CG2-CB 4.1Å; V68-C111 HydrophobicContact CG2-CB 4.48Å
69	T	93.4	Very high	84.8	Confident	54 Å²	54	71.4 Å²	71.4	33%	0.331	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	156.7	-176	-170.8	0	0	0	0	113.2	A81 I83	T69-A81 HydrophobicContact CG2-CB 4Å; T69-A81 PolarHBondContact N-O 3.01Å; T69-A81 PolarHBondContact O-N 2.81Å; T69-I83 HydrophobicContact CG2-CD1 3.85Å
70	R	92.1	Very high	85	Confident	41 Å²	41	67.8 Å²	67.8	16%	0.155	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	137.8	170.8	-55.9	-77	-73.9	114.7	4.6	108.3	R77 A79 E97 A100 E101 Y104	R70-R77 PolarHBondContact NH1-O 3.12Å; R70-R77 PolarHBondContact NH2-O 2.7Å; R70-A79 PolarHBondContact NH1-O 2.87Å; R70-E97 IonicContact CZ-OE1 2.72Å; R70-E97 IonicContact NH2-OE1 2.79Å; R70-E97 PolarHBondContact NH2-OE1 3.03Å; R70-E97 IonicContact NH2-OE2 3.53Å; R70-E97 PolarHBondContact NH2-OE2 3.38Å; R70-A100 VanDerWaalsContact CZ-CB 3.4Å; R70-E101 IonicContact NE-OE2 3.81Å; R70-Y104 HydrophobicContact CG-CD1 4.22Å; R70-Y104 HydrophobicContact CG-CD2 4.11Å; R70-Y104 HydrophobicContact CG-CG 3.93Å
71	L	83.1	Confident	85.1	Confident	50 Å²	50	66.7 Å²	66.7	26%	0.262	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-77.9	147.7	175.7	-68.4	-178.1	0	0	0	111.6	K76 A79 T91	L71-K76 HydrophobicContact CB-CB 4.43Å; L71-K76 HydrophobicContact CD1-CB 4.2Å; L71-K76 HydrophobicContact CD1-CD 4.26Å; L71-A79 HydrophobicContact CB-CB 4.15Å; L71-A79 HydrophobicContact CD1-CB 3.74Å; L71-A79 HydrophobicContact CG-CB 4.09Å; L71-A79 PolarHBondContact N-O 2.85Å; L71-T91 HydrophobicContact CD1-CG2 3.91Å
72	P	73.2	Confident	85.2	Confident	76 Å²	76	61.8 Å²	61.8	49%	0.494	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-55.5	149.4	179.4	-26.2	34.3	0	0	0	113.7	E74 T75 K76	P72-E74 PolarHBondContact O-N 2.93Å; P72-T75 PolarHBondContact O-N 3.49Å; P72-T75 VanDerWaalsContact O-N 3.16Å; P72-T75 PolarHBondContact O-OG1 3.16Å; P72-K76 PolarHBondContact O-N 3.37Å
73	K	66.8	Low	85.3	Confident	166 Å²	166	63.6 Å²	63.6	72%	0.722	32%	0.319	S	S	*	.	H	α-helix	trans	-57.2	-33.4	-172.5	-68.2	-176.1	177.9	172.8	0	113	T75 R77	K73-T75 VanDerWaalsContact C-N 3.27Å; K73-T75 PolarHBondContact O-N 3.02Å; K73-R77 HydrophobicContact CG-CG 4.28Å
74	E	61.6	Low	85.5	Confident	170 Å²	170	62.1 Å²	62.1	79%	0.794	31%	0.307	S	S	*	.	H	α-helix	trans	-71.2	-22	-175.9	-54.9	90.3	-173.9	0	0	113.4	P72	P72-E74 PolarHBondContact O-N 2.93Å
75	T	66.2	Low	85.8	Confident	98 Å²	98	61 Å²	61	60%	0.601	30%	0.304	S	S	*	.	H	α-helix	trans	-104.7	-54.6	-172.9	59.6	0	0	0	0	112.2	P72 K73	P72-T75 PolarHBondContact O-N 3.49Å; P72-T75 VanDerWaalsContact O-N 3.16Å; P72-T75 PolarHBondContact O-OG1 3.16Å; K73-T75 VanDerWaalsContact C-N 3.27Å; K73-T75 PolarHBondContact O-N 3.02Å
76	K	75.7	Confident	85.9	Confident	80 Å²	80	65.6 Å²	65.6	35%	0.348	33%	0.328	S	S	.	.	H	α-helix	trans	-157.9	70.3	-172.5	-61.5	-175.6	-177	142.9	0	110.9	Y24 L71 P72 Q78 A79	Y24-K76 WeakPolarHBondContact OH-CE 3.4Å; Y24-K76 PolarHBondContact OH-NZ 2.79Å; L71-K76 HydrophobicContact CB-CB 4.43Å; L71-K76 HydrophobicContact CD1-CB 4.2Å; L71-K76 HydrophobicContact CD1-CD 4.26Å; P72-K76 PolarHBondContact O-N 3.37Å; K76-Q78 PolarHBondContact O-N 3.07Å; K76-A79 HydrophobicContact CB-CB 3.6Å; K76-A79 VanDerWaalsContact O-CB 3.26Å; K76-A79 WeakPolarHBondContact O-CB 3.4Å; K76-A79 PolarHBondContact O-N 2.93Å
77	R	80	Confident	85.9	Confident	137 Å²	137	65.4 Å²	65.4	52%	0.517	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.1	-38.1	-177.2	-164	-166.3	158.2	174.7	1.2	114.4	R70 K73 A79 E97	R70-R77 PolarHBondContact NH1-O 3.12Å; R70-R77 PolarHBondContact NH2-O 2.7Å; K73-R77 HydrophobicContact CG-CG 4.28Å; R77-A79 PolarHBondContact O-N 3.45Å; R77-E97 WeakPolarHBondContact CD-OE2 3.39Å; R77-E97 VanDerWaalsContact CG-OE2 3.24Å; R77-E97 WeakPolarHBondContact CG-OE2 3.43Å; R77-E97 IonicContact CZ-OE2 2.85Å; R77-E97 IonicContact NE-OE2 3.89Å; R77-E97 PolarHBondContact NE-OE2 2.98Å; R77-E97 IonicContact NH2-OE2 3.38Å
78	Q	90.6	Very high	85.9	Confident	67 Å²	67	65 Å²	65	31%	0.313	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	12.9	-177.1	-60.6	168	-29.5	0	0	113.9	K76 T93 C94 D95 A100	K76-Q78 PolarHBondContact O-N 3.07Å; Q78-T93 HydrophobicContact CB-CG2 3.81Å; Q78-T93 WeakPolarHBondContact O-CA 3.33Å; Q78-C94 WeakPolarHBondContact CB-O 3.44Å; Q78-C94 PolarHBondContact O-N 3.34Å; Q78-C94 PolarHBondContact OE1-O 2.93Å; Q78-C94 VanDerWaalsContact OE1-O 3.08Å; Q78-D95 PolarHBondContact NE2-O 3.41Å; Q78-A100 HydrophobicContact CB-CB 4.48Å; Q78-A100 WeakPolarHBondContact O-CB 3.45Å
79	A	93.2	Very high	85.8	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	138.8	-175.7	0	0	0	0	0	114.1	R70 L71 K76 R77 T91 F92	R70-A79 PolarHBondContact NH1-O 2.87Å; L71-A79 HydrophobicContact CB-CB 4.15Å; L71-A79 HydrophobicContact CD1-CB 3.74Å; L71-A79 HydrophobicContact CG-CB 4.09Å; L71-A79 PolarHBondContact N-O 2.85Å; K76-A79 HydrophobicContact CB-CB 3.6Å; K76-A79 VanDerWaalsContact O-CB 3.26Å; K76-A79 WeakPolarHBondContact O-CB 3.4Å; K76-A79 PolarHBondContact O-N 2.93Å; R77-A79 PolarHBondContact O-N 3.45Å; A79-T91 HydrophobicContact CB-CG2 4.17Å; A79-F92 CarbonylContact C-O 3.53Å; A79-F92 WeakPolarHBondContact CA-O 3.36Å
80	V	94.8	Very high	85.8	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.6	174.1	-176.4	0	0	0	0	107.8	V68 T91 F92 A100 W103 L107	V68-V80 HydrophobicContact CG1-CG1 3.91Å; V80-T91 VanDerWaalsContact O-CA 3.3Å; V80-T91 WeakPolarHBondContact O-CA 3.1Å; V80-F92 HydrophobicContact CB-CD2 4.42Å; V80-F92 HydrophobicContact CB-CE1 4.18Å; V80-F92 HydrophobicContact CB-CE2 3.85Å; V80-F92 HydrophobicContact CB-CZ 3.72Å; V80-F92 HydrophobicContact CG1-CE1 4.33Å; V80-F92 HydrophobicContact CG1-CZ 3.97Å; V80-F92 HydrophobicContact CG2-CE2 4.11Å; V80-F92 HydrophobicContact CG2-CZ 4.31Å; V80-F92 PolarHBondContact N-O 3.26Å; V80-F92 PolarHBondContact O-N 3.08Å; V80-A100 HydrophobicContact CG2-CB 4.18Å; V80-A100 VanDerWaalsContact CG2-O 3.25Å; V80-A100 WeakPolarHBondContact CG2-O 3.39Å; V80-W103 HydrophobicContact CG2-CB 4.15Å; V80-L107 HydrophobicContact CG1-CD1 4.02Å
81	A	93.9	Very high	85.8	Confident	4 Å²	4	67.4 Å²	67.4	3%	0.033	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.3	177.6	0	0	0	0	0	110.6	V68 T69 R90 T91	V68-A81 CarbonylContact C-O 3.55Å; V68-A81 WeakPolarHBondContact CA-O 3.49Å; T69-A81 HydrophobicContact CG2-CB 4Å; T69-A81 PolarHBondContact N-O 3.01Å; T69-A81 PolarHBondContact O-N 2.81Å; A81-R90 WeakPolarHBondContact CA-O 3.38Å; A81-T91 HydrophobicContact CB-CG2 4.27Å
82	I	94.3	Very high	86.3	Confident	0 Å²	0	65 Å²	65	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	118.7	167.7	-53.4	170	0	0	0	106.3	I62 V65 F84 A89 R90 L107	I62-I82 HydrophobicContact CD1-CD1 4.17Å; V65-I82 HydrophobicContact CG1-CG2 3.82Å; V65-I82 HydrophobicContact CG2-CG2 3.88Å; I82-F84 HydrophobicContact CB-CE2 4.35Å; I82-F84 HydrophobicContact CG2-CE1 4.4Å; I82-F84 HydrophobicContact CG2-CE2 4.01Å; I82-F84 HydrophobicContact CG2-CZ 3.9Å; I82-A89 CarbonylContact O-C 3.54Å; I82-A89 VanDerWaalsContact O-CA 3.24Å; I82-A89 WeakPolarHBondContact O-CA 3.47Å; I82-R90 PolarHBondContact N-O 3.46Å; I82-R90 PolarHBondContact O-N 3.39Å; I82-L107 HydrophobicContact CD1-CD1 3.95Å; I82-L107 HydrophobicContact CD1-CD2 3.94Å; I82-L107 HydrophobicContact CG1-CD1 4.03Å
83	I	93.3	Very high	87.4	Confident	44 Å²	44	62.3 Å²	62.3	23%	0.226	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.7	179.8	-58	175.1	0	0	0	107.5	K66 C67 T69	K66-I83 HydrophobicContact CB-CG2 4.4Å; K66-I83 WeakPolarHBondContact CB-O 3.39Å; K66-I83 HydrophobicContact CD-CG2 4.26Å; K66-I83 PolarHBondContact N-O 2.97Å; C67-I83 PolarHBondContact N-O 3.22Å; C67-I83 PolarHBondContact O-N 3.31Å; T69-I83 HydrophobicContact CG2-CD1 3.85Å
84	F	92.6	Very high	88.7	Confident	16 Å²	16	54.4 Å²	54.4	7%	0.07	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	165.8	-179.3	-63.2	-90.8	0	0	0	110.3	I62 S63 N64 V65 I82 D86 D87 S88 R90	I62-F84 HydrophobicContact CD1-CE1 4.16Å; I62-F84 HydrophobicContact CD1-CZ 3.76Å; S63-F84 WeakPolarHBondContact O-CD1 3.35Å; N64-F84 CarbonylContact O-C 3.55Å; N64-F84 WeakPolarHBondContact O-CA 3.47Å; V65-F84 HydrophobicContact CG2-CE1 4.35Å; I82-F84 HydrophobicContact CB-CE2 4.35Å; I82-F84 HydrophobicContact CG2-CE1 4.4Å; I82-F84 HydrophobicContact CG2-CE2 4.01Å; I82-F84 HydrophobicContact CG2-CZ 3.9Å; F84-D86 WeakPolarHBondContact CB-OD1 3.25Å; F84-D86 PolarHBondContact O-N 3.46Å; F84-D87 PolarHBondContact O-N 2.75Å; F84-D87 VanDerWaalsContact O-N 3.11Å; F84-S88 WeakPolarHBondContact CD2-O 3.5Å; F84-S88 PolarHBondContact N-O 3.39Å; F84-R90 HydrophobicContact CE2-CB 4.17Å; F84-R90 HydrophobicContact CE2-CG 3.67Å; F84-R90 HydrophobicContact CZ-CG 4.12Å
85	T	91.7	Very high	90.1	Very high	91 Å²	91	49.4 Å²	49.4	56%	0.558	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.5	177.4	53.2	0	0	0	0	113.6	N64 K66 D87	N64-T85 HydrophobicContact CB-CG2 4.1Å; N64-T85 WeakPolarHBondContact CB-OG1 3.42Å; N64-T85 WeakPolarHBondContact O-CG2 3.27Å; N64-T85 PolarHBondContact O-N 2.9Å; K66-T85 HydrophobicContact CB-CG2 4.41Å; T85-D87 PolarHBondContact O-N 3.21Å
86	D	92.8	Very high	91.4	Very high	112 Å²	112	46.7 Å²	46.7	60%	0.599	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	11.7	174	71.9	-10.2	0	0	0	113.2	F84 S88	F84-D86 WeakPolarHBondContact CB-OD1 3.25Å; F84-D86 PolarHBondContact O-N 3.46Å; D86-S88 PolarHBondContact O-N 2.81Å; D86-S88 WeakPolarHBondContact OD1-CA 3.32Å; D86-S88 WeakPolarHBondContact OD1-CB 3.5Å; D86-S88 PolarHBondContact OD1-N 3.27Å; D86-S88 PolarHBondContact OD1-OG 2.64Å; D86-S88 PolarHBondContact OD2-OG 3Å
87	D	89.5	Confident	92.2	Very high	114 Å²	114	45.9 Å²	45.9	61%	0.61	25%	0.245	S	C	*	.	S	Bend	trans	58.1	7.9	-173.4	-63.4	-44.1	0	0	0	114.8	K66 F84 T85	K66-D87 IonicContact NZ-OD1 2.65Å; K66-D87 PolarHBondContact NZ-OD1 3.46Å; F84-D87 PolarHBondContact O-N 2.75Å; F84-D87 VanDerWaalsContact O-N 3.11Å; T85-D87 PolarHBondContact O-N 3.21Å
88	S	92.5	Very high	92.8	Very high	36 Å²	36	44.7 Å²	44.7	25%	0.252	25%	0.248	S	C	.	.			trans	-69.5	154.5	166.6	83.6	0	0	0	0	109.9	F84 D86	F84-S88 WeakPolarHBondContact CD2-O 3.5Å; F84-S88 PolarHBondContact N-O 3.39Å; D86-S88 PolarHBondContact O-N 2.81Å; D86-S88 WeakPolarHBondContact OD1-CA 3.32Å; D86-S88 WeakPolarHBondContact OD1-CB 3.5Å; D86-S88 PolarHBondContact OD1-N 3.27Å; D86-S88 PolarHBondContact OD1-OG 2.64Å; D86-S88 PolarHBondContact OD2-OG 3Å
89	A	91.2	Very high	93	Very high	49 Å²	49	44.8 Å²	44.8	41%	0.405	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	151.6	177.9	0	0	0	0	0	112.1	I82	I82-A89 CarbonylContact O-C 3.54Å; I82-A89 VanDerWaalsContact O-CA 3.24Å; I82-A89 WeakPolarHBondContact O-CA 3.47Å
90	R	91.8	Very high	93.1	Very high	59 Å²	59	44.8 Å²	44.8	22%	0.223	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	115.3	163.3	-67.3	-64.9	-179.3	-71.6	-12.4	108.1	T60 A81 I82 F84	T60-R90 HydrophobicContact CG2-CG 4.32Å; A81-R90 WeakPolarHBondContact CA-O 3.38Å; I82-R90 PolarHBondContact N-O 3.46Å; I82-R90 PolarHBondContact O-N 3.39Å; F84-R90 HydrophobicContact CE2-CB 4.17Å; F84-R90 HydrophobicContact CE2-CG 3.67Å; F84-R90 HydrophobicContact CZ-CG 4.12Å
91	T	93.2	Very high	93	Very high	47 Å²	47	47.5 Å²	47.5	29%	0.288	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.3	-179	-48.3	0	0	0	0	110.4	L71 A79 V80 A81	L71-T91 HydrophobicContact CD1-CG2 3.91Å; A79-T91 HydrophobicContact CB-CG2 4.17Å; V80-T91 VanDerWaalsContact O-CA 3.3Å; V80-T91 WeakPolarHBondContact O-CA 3.1Å; A81-T91 HydrophobicContact CB-CG2 4.27Å
92	F	94.6	Very high	93.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	160.5	170.6	59.4	-92.6	0	0	0	110	V14 K15 M16 L29 A79 V80 W103 L107	V14-F92 HydrophobicContact CB-CB 4.11Å; V14-F92 HydrophobicContact CB-CD2 3.99Å; V14-F92 HydrophobicContact CB-CG 4.39Å; V14-F92 HydrophobicContact CG1-CD2 3.64Å; V14-F92 HydrophobicContact CG1-CE2 4.13Å; V14-F92 HydrophobicContact CG1-CG 4.39Å; V14-F92 HydrophobicContact CG2-CB 3.96Å; V14-F92 HydrophobicContact CG2-CD2 4.43Å; V14-F92 HydrophobicContact CG2-CG 4.39Å; K15-F92 WeakPolarHBondContact O-CA 3.26Å; M16-F92 HydrophobicContact CE-CB 4.4Å; M16-F92 HydrophobicContact CG-CB 3.75Å; L29-F92 HydrophobicContact CD2-CD1 3.88Å; L29-F92 HydrophobicContact CD2-CD2 4.4Å; L29-F92 HydrophobicContact CD2-CE1 4.01Å; L29-F92 HydrophobicContact CD2-CG 4.08Å; L29-F92 HydrophobicContact CD2-CZ 4.32Å; A79-F92 CarbonylContact C-O 3.53Å; A79-F92 WeakPolarHBondContact CA-O 3.36Å; V80-F92 HydrophobicContact CB-CD2 4.42Å; V80-F92 HydrophobicContact CB-CE1 4.18Å; V80-F92 HydrophobicContact CB-CE2 3.85Å; V80-F92 HydrophobicContact CB-CZ 3.72Å; V80-F92 HydrophobicContact CG1-CE1 4.33Å; V80-F92 HydrophobicContact CG1-CZ 3.97Å; V80-F92 HydrophobicContact CG2-CE2 4.11Å; V80-F92 HydrophobicContact CG2-CZ 4.31Å; V80-F92 PolarHBondContact N-O 3.26Å; V80-F92 PolarHBondContact O-N 3.08Å; F92-W103 HydrophobicContact CE2-CB 3.95Å; F92-W103 AromaticContact CE2-CD2 3.93Å; F92-W103 HydrophobicContact CE2-CD2 3.93Å; F92-W103 HydrophobicContact CE2-CE3 4.34Å; F92-W103 AromaticContact CE2-CG 3.76Å; F92-W103 HydrophobicContact CE2-CG 3.76Å; F92-W103 HydrophobicContact CZ-CB 4.01Å; F92-W103 AromaticContact CZ-CD2 3.94Å; F92-W103 HydrophobicContact CZ-CD2 3.94Å; F92-W103 AromaticContact CZ-CE3 3.89Å; F92-W103 HydrophobicContact CZ-CE3 3.89Å; F92-W103 HydrophobicContact CZ-CG 4.03Å; F92-L107 HydrophobicContact CE1-CD1 3.92Å; F92-L107 HydrophobicContact CZ-CD1 3.76Å
93	T	94.3	Very high	93.2	Very high	19 Å²	19	51.5 Å²	51.5	12%	0.117	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128	179.7	-52.2	0	0	0	0	109.1	V14 K15 Q78	V14-T93 CarbonylContact C-O 3.53Å; V14-T93 WeakPolarHBondContact CA-O 3.49Å; K15-T93 PolarHBondContact N-O 3.46Å; K15-T93 PolarHBondContact O-N 3.49Å; Q78-T93 HydrophobicContact CB-CG2 3.81Å; Q78-T93 WeakPolarHBondContact O-CA 3.33Å
94	C	94.6	Very high	93.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.281	C	S	.	.			trans	-88.1	171.2	180	-47	0	0	0	0	110.9	Q78 E99 A100 W103	Q78-C94 WeakPolarHBondContact CB-O 3.44Å; Q78-C94 PolarHBondContact O-N 3.34Å; Q78-C94 PolarHBondContact OE1-O 2.93Å; Q78-C94 VanDerWaalsContact OE1-O 3.08Å; C94-E99 HydrophobicContact CB-CB 3.85Å; C94-A100 HydrophobicContact CB-CB 3.86Å; C94-A100 VanDerWaalsContact SG-CA 3.53Å; C94-W103 VanDerWaalsContact SG-CD1 3.58Å
95	D	91.6	Very high	93.2	Very high	64 Å²	64	57.7 Å²	57.7	34%	0.342	30%	0.303	S	S	.	.	S	Bend	trans	-83.8	-23	-177.6	-72.2	-31.2	0	0	0	111.7	K15 Q78 E99	K15-D95 IonicContact NZ-OD1 3.71Å; Q78-D95 PolarHBondContact NE2-O 3.41Å; D95-E99 PolarHBondContact N-OE2 2.84Å
96	S	92.7	Very high	93.3	Very high	42 Å²	42	55.1 Å²	55.1	29%	0.294	29%	0.287	S	S	.	.	S	Bend	trans	-132.1	163.1	174.8	76.9	0	0	0	0	113.8	L98 E99 A100	S96-L98 VanDerWaalsContact C-N 3.3Å; S96-E99 PolarHBondContact N-OE2 2.87Å; S96-E99 WeakPolarHBondContact OG-CG 3.5Å; S96-E99 PolarHBondContact OG-N 2.77Å; S96-E99 VanDerWaalsContact OG-N 3.08Å; S96-A100 WeakPolarHBondContact O-CB 3.33Å; S96-A100 PolarHBondContact O-N 3.33Å
97	E	92.4	Very high	93.3	Very high	62 Å²	62	49.8 Å²	49.8	29%	0.29	26%	0.259	S	S	.	.	H	α-helix	trans	-61.3	-41.9	171.7	-177	63.3	-153.3	0	0	111.4	R70 R77 A100 E101	R70-E97 IonicContact CZ-OE1 2.72Å; R70-E97 IonicContact NH2-OE1 2.79Å; R70-E97 PolarHBondContact NH2-OE1 3.03Å; R70-E97 IonicContact NH2-OE2 3.53Å; R70-E97 PolarHBondContact NH2-OE2 3.38Å; R77-E97 WeakPolarHBondContact CD-OE2 3.39Å; R77-E97 VanDerWaalsContact CG-OE2 3.24Å; R77-E97 WeakPolarHBondContact CG-OE2 3.43Å; R77-E97 IonicContact CZ-OE2 2.85Å; R77-E97 IonicContact NE-OE2 3.89Å; R77-E97 PolarHBondContact NE-OE2 2.98Å; R77-E97 IonicContact NH2-OE2 3.38Å; E97-A100 PolarHBondContact O-N 2.78Å; E97-E101 WeakPolarHBondContact O-CB 3.48Å; E97-E101 PolarHBondContact O-N 3.37Å
98	L	93.4	Very high	93.4	Very high	113 Å²	113	44.5 Å²	44.5	59%	0.592	23%	0.23	S	C	*	.	H	α-helix	trans	-62.6	-48	-178.1	-178.8	150.6	0	0	0	110.9	S96 A100 E101 E102	S96-L98 VanDerWaalsContact C-N 3.3Å; L98-A100 VanDerWaalsContact C-N 3.27Å; L98-A100 PolarHBondContact O-N 3Å; L98-E101 PolarHBondContact O-N 2.82Å; L98-E102 HydrophobicContact CD2-CG 4.33Å; L98-E102 VanDerWaalsContact CD2-OE1 3.26Å; L98-E102 WeakPolarHBondContact CD2-OE1 3.31Å; L98-E102 WeakPolarHBondContact O-CG 3.31Å; L98-E102 PolarHBondContact O-N 2.93Å
99	E	95.1	Very high	93.2	Very high	68 Å²	68	46.9 Å²	46.9	32%	0.318	24%	0.244	S	C	.	.	H	α-helix	trans	-59.6	-41.1	176.1	-76.3	-179.9	164.2	0	0	111.9	C94 D95 S96 E101 E102 W103	C94-E99 HydrophobicContact CB-CB 3.85Å; D95-E99 PolarHBondContact N-OE2 2.84Å; S96-E99 PolarHBondContact N-OE2 2.87Å; S96-E99 WeakPolarHBondContact OG-CG 3.5Å; S96-E99 PolarHBondContact OG-N 2.77Å; S96-E99 VanDerWaalsContact OG-N 3.08Å; E99-E101 VanDerWaalsContact C-N 3.33Å; E99-E102 PolarHBondContact O-N 2.88Å; E99-W103 WeakPolarHBondContact O-CB 3.48Å; E99-W103 PolarHBondContact O-N 3.03Å
100	A	94.7	Very high	93.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-68.1	-36.5	-178.6	0	0	0	0	0	111.9	R70 Q78 V80 C94 S96 E97 L98 Y104	R70-A100 VanDerWaalsContact CZ-CB 3.4Å; Q78-A100 HydrophobicContact CB-CB 4.48Å; Q78-A100 WeakPolarHBondContact O-CB 3.45Å; V80-A100 HydrophobicContact CG2-CB 4.18Å; V80-A100 VanDerWaalsContact CG2-O 3.25Å; V80-A100 WeakPolarHBondContact CG2-O 3.39Å; C94-A100 HydrophobicContact CB-CB 3.86Å; C94-A100 VanDerWaalsContact SG-CA 3.53Å; S96-A100 WeakPolarHBondContact O-CB 3.33Å; S96-A100 PolarHBondContact O-N 3.33Å; E97-A100 PolarHBondContact O-N 2.78Å; L98-A100 VanDerWaalsContact C-N 3.27Å; L98-A100 PolarHBondContact O-N 3Å; A100-Y104 VanDerWaalsContact O-CB 3.31Å; A100-Y104 WeakPolarHBondContact O-CB 3.37Å; A100-Y104 PolarHBondContact O-N 2.8Å
101	E	93.5	Very high	92.9	Very high	58 Å²	58	46.4 Å²	46.4	27%	0.271	24%	0.237	S	C	.	.	H	α-helix	trans	-66.1	-42	172.6	-169.7	58.1	-152.7	0	0	112	R70 E97 L98 E99 Y104 K105	R70-E101 IonicContact NE-OE2 3.81Å; E97-E101 WeakPolarHBondContact O-CB 3.48Å; E97-E101 PolarHBondContact O-N 3.37Å; L98-E101 PolarHBondContact O-N 2.82Å; E99-E101 VanDerWaalsContact C-N 3.33Å; E101-Y104 PolarHBondContact O-N 2.74Å; E101-K105 HydrophobicContact CG-CD 4.4Å; E101-K105 WeakPolarHBondContact O-CB 3.39Å; E101-K105 WeakPolarHBondContact O-CG 3.38Å; E101-K105 PolarHBondContact O-N 3.21Å; E101-K105 WeakPolarHBondContact OE1-CE 3.23Å
102	E	95	Very high	92.3	Very high	84 Å²	84	45.5 Å²	45.5	39%	0.393	23%	0.231	S	C	.	.	H	α-helix	trans	-62.5	-47.6	174.1	-70.4	178.5	174.8	0	0	112.1	K10 L98 E99 Y104 K105 T106	K10-E102 IonicContact NZ-OE2 2.82Å; K10-E102 PolarHBondContact NZ-OE2 3.02Å; L98-E102 HydrophobicContact CD2-CG 4.33Å; L98-E102 VanDerWaalsContact CD2-OE1 3.26Å; L98-E102 WeakPolarHBondContact CD2-OE1 3.31Å; L98-E102 WeakPolarHBondContact O-CG 3.31Å; L98-E102 PolarHBondContact O-N 2.93Å; E99-E102 PolarHBondContact O-N 2.88Å; E102-Y104 VanDerWaalsContact C-N 3.29Å; E102-Y104 PolarHBondContact O-N 2.95Å; E102-K105 PolarHBondContact O-N 3.37Å; E102-T106 WeakPolarHBondContact O-CB 3.41Å; E102-T106 PolarHBondContact O-N 3.25Å; E102-T106 PolarHBondContact O-OG1 3.45Å
103	W	95.9	Very high	91.1	Very high	4 Å²	4	47 Å²	47	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-57.7	-44.2	176.1	-88.6	108.6	0	0	0	111.4	K10 L29 F31 V80 F92 C94 E99 L107	K10-W103 HydrophobicContact CB-CE3 4.3Å; K10-W103 HydrophobicContact CB-CH2 4.05Å; K10-W103 HydrophobicContact CB-CZ3 3.93Å; K10-W103 HydrophobicContact CD-CD2 3.57Å; K10-W103 HydrophobicContact CD-CE3 3.77Å; K10-W103 HydrophobicContact CD-CG 3.91Å; K10-W103 HydrophobicContact CD-CH2 4.48Å; K10-W103 HydrophobicContact CD-CZ2 4.32Å; K10-W103 HydrophobicContact CD-CZ3 4.23Å; K10-W103 VanDerWaalsContact CE-CD1 3.49Å; K10-W103 HydrophobicContact CG-CD2 4.09Å; K10-W103 HydrophobicContact CG-CE3 4.13Å; K10-W103 HydrophobicContact CG-CH2 3.96Å; K10-W103 HydrophobicContact CG-CZ2 3.92Å; K10-W103 HydrophobicContact CG-CZ3 4.06Å; L29-W103 HydrophobicContact CB-CH2 4.4Å; L29-W103 HydrophobicContact CD2-CH2 4.25Å; L29-W103 HydrophobicContact CD2-CZ3 4.46Å; L29-W103 HydrophobicContact CG-CH2 4.43Å; F31-W103 HydrophobicContact CB-CH2 4.34Å; F31-W103 HydrophobicContact CB-CZ3 3.78Å; V80-W103 HydrophobicContact CG2-CB 4.15Å; F92-W103 HydrophobicContact CE2-CB 3.95Å; F92-W103 AromaticContact CE2-CD2 3.93Å; F92-W103 HydrophobicContact CE2-CD2 3.93Å; F92-W103 HydrophobicContact CE2-CE3 4.34Å; F92-W103 AromaticContact CE2-CG 3.76Å; F92-W103 HydrophobicContact CE2-CG 3.76Å; F92-W103 HydrophobicContact CZ-CB 4.01Å; F92-W103 AromaticContact CZ-CD2 3.94Å; F92-W103 HydrophobicContact CZ-CD2 3.94Å; F92-W103 AromaticContact CZ-CE3 3.89Å; F92-W103 HydrophobicContact CZ-CE3 3.89Å; F92-W103 HydrophobicContact CZ-CG 4.03Å; C94-W103 VanDerWaalsContact SG-CD1 3.58Å; E99-W103 WeakPolarHBondContact O-CB 3.48Å; E99-W103 PolarHBondContact O-N 3.03Å; W103-L107 HydrophobicContact CE3-CD1 4.22Å; W103-L107 HydrophobicContact CE3-CG 4.4Å; W103-L107 VanDerWaalsContact O-CB 3.27Å; W103-L107 WeakPolarHBondContact O-CB 3.45Å; W103-L107 WeakPolarHBondContact O-CD1 3.44Å; W103-L107 VanDerWaalsContact O-CG 3.25Å; W103-L107 WeakPolarHBondContact O-CG 3.47Å; W103-L107 PolarHBondContact O-N 3Å
104	Y	94.1	Very high	89	Confident	66 Å²	66	50.8 Å²	50.8	26%	0.259	27%	0.274	S	S	.	.	H	α-helix	trans	-60.5	-50.5	176.4	166.1	-108.7	0	0	0	112.3	V68 R70 A100 E101 E102 L107 S108	V68-Y104 HydrophobicContact CB-CD2 4.42Å; V68-Y104 HydrophobicContact CB-CE2 4.48Å; V68-Y104 HydrophobicContact CG1-CD2 3.91Å; V68-Y104 HydrophobicContact CG1-CE2 4.45Å; V68-Y104 WeakPolarHBondContact O-CE2 3.15Å; R70-Y104 HydrophobicContact CG-CD1 4.22Å; R70-Y104 HydrophobicContact CG-CD2 4.11Å; R70-Y104 HydrophobicContact CG-CG 3.93Å; A100-Y104 VanDerWaalsContact O-CB 3.31Å; A100-Y104 WeakPolarHBondContact O-CB 3.37Å; A100-Y104 PolarHBondContact O-N 2.8Å; E101-Y104 PolarHBondContact O-N 2.74Å; E102-Y104 VanDerWaalsContact C-N 3.29Å; E102-Y104 PolarHBondContact O-N 2.95Å; Y104-L107 PolarHBondContact O-N 2.92Å; Y104-S108 WeakPolarHBondContact CE2-OG 3.37Å; Y104-S108 VanDerWaalsContact O-CB 3.28Å; Y104-S108 WeakPolarHBondContact O-CB 3.25Å; Y104-S108 PolarHBondContact O-N 2.97Å; Y104-S108 PolarHBondContact O-OG 2.92Å
105	K	93.3	Very high	87	Confident	123 Å²	123	58.5 Å²	58.5	54%	0.535	30%	0.303	S	S	.	.	H	α-helix	trans	-59.9	-49.5	178.8	-75	176	179	174.5	0	111.5	E101 E102 S108 V109	E101-K105 HydrophobicContact CG-CD 4.4Å; E101-K105 WeakPolarHBondContact O-CB 3.39Å; E101-K105 WeakPolarHBondContact O-CG 3.38Å; E101-K105 PolarHBondContact O-N 3.21Å; E101-K105 WeakPolarHBondContact OE1-CE 3.23Å; E102-K105 PolarHBondContact O-N 3.37Å; K105-S108 PolarHBondContact O-N 2.87Å; K105-V109 WeakPolarHBondContact O-CG2 3.17Å; K105-V109 PolarHBondContact O-N 2.83Å
106	T	93.2	Very high	84.9	Confident	38 Å²	38	60.2 Å²	60.2	23%	0.233	31%	0.312	C	S	.	.	H	α-helix	trans	-60.2	-49.8	179.5	-61.8	0	0	0	0	112	V9 K10 F31 E102 S108 V109 E110	V9-T106 HydrophobicContact CB-CG2 4.48Å; V9-T106 HydrophobicContact CG1-CG2 3.3Å; K10-T106 HydrophobicContact CB-CG2 4.13Å; K10-T106 HydrophobicContact CD-CG2 4.46Å; F31-T106 HydrophobicContact CD1-CG2 4.48Å; E102-T106 WeakPolarHBondContact O-CB 3.41Å; E102-T106 PolarHBondContact O-N 3.25Å; E102-T106 PolarHBondContact O-OG1 3.45Å; T106-S108 VanDerWaalsContact C-N 3.31Å; T106-S108 PolarHBondContact O-N 3.14Å; T106-V109 PolarHBondContact O-N 3.04Å; T106-E110 HydrophobicContact CG2-CG 4.49Å; T106-E110 WeakPolarHBondContact O-CB 3.45Å; T106-E110 VanDerWaalsContact O-CG 3.31Å; T106-E110 WeakPolarHBondContact O-CG 3.5Å; T106-E110 PolarHBondContact O-N 2.85Å
107	L	93.7	Very high	82.4	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64	-38.2	179.4	-74.6	167.8	0	0	0	111.7	F31 V68 V80 I82 F92 W103 Y104 C111	F31-L107 HydrophobicContact CD1-CD2 3.83Å; F31-L107 HydrophobicContact CD2-CD2 3.86Å; F31-L107 HydrophobicContact CE1-CD2 3.88Å; F31-L107 HydrophobicContact CE2-CD2 3.9Å; F31-L107 HydrophobicContact CG-CD2 3.83Å; F31-L107 HydrophobicContact CZ-CD2 3.92Å; V68-L107 HydrophobicContact CG1-CB 3.91Å; V68-L107 HydrophobicContact CG1-CD1 4.41Å; V68-L107 HydrophobicContact CG2-CB 4.1Å; V80-L107 HydrophobicContact CG1-CD1 4.02Å; I82-L107 HydrophobicContact CD1-CD1 3.95Å; I82-L107 HydrophobicContact CD1-CD2 3.94Å; I82-L107 HydrophobicContact CG1-CD1 4.03Å; F92-L107 HydrophobicContact CE1-CD1 3.92Å; F92-L107 HydrophobicContact CZ-CD1 3.76Å; W103-L107 HydrophobicContact CE3-CD1 4.22Å; W103-L107 HydrophobicContact CE3-CG 4.4Å; W103-L107 VanDerWaalsContact O-CB 3.27Å; W103-L107 WeakPolarHBondContact O-CB 3.45Å; W103-L107 WeakPolarHBondContact O-CD1 3.44Å; W103-L107 VanDerWaalsContact O-CG 3.25Å; W103-L107 WeakPolarHBondContact O-CG 3.47Å; W103-L107 PolarHBondContact O-N 3Å; Y104-L107 PolarHBondContact O-N 2.92Å; L107-C111 WeakPolarHBondContact O-CB 3.44Å; L107-C111 PolarHBondContact O-N 3.17Å; L107-C111 PolarHBondContact O-SG 3.33Å
108	S	91.5	Very high	79.9	Confident	2 Å²	2	66.8 Å²	66.8	1%	0.014	35%	0.345	C	S	.	.	H	α-helix	trans	-65	-45.7	179.9	-57.1	0	0	0	0	111.6	Y104 K105 T106 L112	Y104-S108 WeakPolarHBondContact CE2-OG 3.37Å; Y104-S108 VanDerWaalsContact O-CB 3.28Å; Y104-S108 WeakPolarHBondContact O-CB 3.25Å; Y104-S108 PolarHBondContact O-N 2.97Å; Y104-S108 PolarHBondContact O-OG 2.92Å; K105-S108 PolarHBondContact O-N 2.87Å; T106-S108 VanDerWaalsContact C-N 3.31Å; T106-S108 PolarHBondContact O-N 3.14Å; S108-L112 VanDerWaalsContact O-CB 3.27Å; S108-L112 WeakPolarHBondContact O-CB 3.35Å; S108-L112 PolarHBondContact O-N 2.86Å; S108-L112 VanDerWaalsContact O-N 3.13Å
109	V	88.5	Confident	77.7	Confident	87 Å²	87	65.5 Å²	65.5	53%	0.527	34%	0.338	S	S	.	.	H	α-helix	trans	-63	-46.2	177.9	171.3	0	0	0	0	111.3	K105 T106 G113	K105-V109 WeakPolarHBondContact O-CG2 3.17Å; K105-V109 PolarHBondContact O-N 2.83Å; T106-V109 PolarHBondContact O-N 3.04Å; V109-G113 CarbonylContact O-C 3.56Å; V109-G113 WeakPolarHBondContact O-CA 3.44Å; V109-G113 PolarHBondContact O-N 2.81Å
110	E	88.2	Confident	75.3	Confident	75 Å²	75	68.2 Å²	68.2	35%	0.35	37%	0.365	S	S	.	.	H	α-helix	trans	-78.8	-39.7	-173.8	-65.4	-77	153.4	0	0	112.8	V9 F31 Q40 T106	V9-E110 HydrophobicContact CG1-CG 3.91Å; F31-E110 HydrophobicContact CE1-CB 3.61Å; F31-E110 HydrophobicContact CE1-CG 3.94Å; F31-E110 HydrophobicContact CZ-CB 3.84Å; Q40-E110 PolarHBondContact OE1-O 3.39Å; T106-E110 HydrophobicContact CG2-CG 4.49Å; T106-E110 WeakPolarHBondContact O-CB 3.45Å; T106-E110 VanDerWaalsContact O-CG 3.31Å; T106-E110 WeakPolarHBondContact O-CG 3.5Å; T106-E110 PolarHBondContact O-N 2.85Å
111	C	86.6	Confident	73.1	Confident	22 Å²	22	75.6 Å²	75.6	15%	0.149	40%	0.403	C	S	.	.	H	α-helix	trans	-81.9	-32.2	-175.9	-59.9	0	0	0	0	113.5	Q40 I62 V65 V68 L107	Q40-C111 PolarHBondContact NE2-SG 2.89Å; I62-C111 VanDerWaalsContact CG2-SG 3.58Å; V65-C111 HydrophobicContact CB-CB 4Å; V65-C111 HydrophobicContact CG1-CB 4.04Å; V65-C111 HydrophobicContact CG2-CB 3.9Å; V68-C111 HydrophobicContact CG2-CB 4.48Å; L107-C111 WeakPolarHBondContact O-CB 3.44Å; L107-C111 PolarHBondContact O-N 3.17Å; L107-C111 PolarHBondContact O-SG 3.33Å
112	L	82	Confident	70.9	Confident	28 Å²	28	76.5 Å²	76.5	15%	0.147	43%	0.428	C	S	.	.	H	α-helix	trans	-101.9	-8	-178.1	-52.1	173.7	0	0	0	111.5	V65 S108 R115	V65-L112 HydrophobicContact CB-CD2 4.36Å; V65-L112 HydrophobicContact CG1-CD2 3.98Å; S108-L112 VanDerWaalsContact O-CB 3.27Å; S108-L112 WeakPolarHBondContact O-CB 3.35Å; S108-L112 PolarHBondContact O-N 2.86Å; S108-L112 VanDerWaalsContact O-N 3.13Å; L112-R115 HydrophobicContact CB-CB 4.37Å; L112-R115 VanDerWaalsContact O-CB 3.29Å; L112-R115 WeakPolarHBondContact O-CB 3.34Å; L112-R115 VanDerWaalsContact O-CD 3.32Å; L112-R115 WeakPolarHBondContact O-CD 3.43Å; L112-R115 WeakPolarHBondContact O-CG 3.4Å
113	G	68.7	Low	68.5	Low	33 Å²	33	79 Å²	79	34%	0.34	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	61.4	-156.5	-172	0	0	0	0	0	111.7	V109 R115	V109-G113 CarbonylContact O-C 3.56Å; V109-G113 WeakPolarHBondContact O-CA 3.44Å; V109-G113 PolarHBondContact O-N 2.81Å; G113-R115 PolarHBondContact O-N 2.85Å
114	S	51.3	Low	66.5	Low	98 Å²	98	83 Å²	83	69%	0.685	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-63.3	9.2	175.9	-32.7	0	0	0	0	114.9	L116 N117	S114-L116 PolarHBondContact O-N 2.87Å; S114-N117 PolarHBondContact O-N 2.92Å
115	R	50.7	Low	64.9	Low	161 Å²	161	83.8 Å²	83.8	61%	0.608	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-60.9	-12.8	175.4	-70.3	-178.5	-169.9	-161.4	2.4	113.4	L112 G113	L112-R115 HydrophobicContact CB-CB 4.37Å; L112-R115 VanDerWaalsContact O-CB 3.29Å; L112-R115 WeakPolarHBondContact O-CB 3.34Å; L112-R115 VanDerWaalsContact O-CD 3.32Å; L112-R115 WeakPolarHBondContact O-CD 3.43Å; L112-R115 WeakPolarHBondContact O-CG 3.4Å; G113-R115 PolarHBondContact O-N 2.85Å
116	L	48	Very low	63.4	Low	101 Å²	101	84.6 Å²	84.6	53%	0.529	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-87.8	-5.2	170.7	-71.6	-178.7	0	0	0	114.4	S114 D118	S114-L116 PolarHBondContact O-N 2.87Å; L116-D118 VanDerWaalsContact C-N 3.31Å
117	N	40.8	Very low	61.8	Low	142 Å²	142	89 Å²	89	76%	0.759	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-94.9	16.7	169	-72.5	-10.6	0	0	0	112.4	S114 I119	S114-N117 PolarHBondContact O-N 2.92Å; N117-I119 PolarHBondContact O-N 2.98Å
118	D	39.8	Very low	60	Low	99 Å²	99	90.3 Å²	90.3	53%	0.529	52%	0.516	S	S	.	.			trans	-69.7	97.1	168.9	-107	-19.2	0	0	0	109.4	L116 S120	L116-D118 VanDerWaalsContact C-N 3.31Å; D118-S120 PolarHBondContact O-N 2.88Å
119	I	47	Very low	58.3	Low	87 Å²	87	94.3 Å²	94.3	45%	0.446	54%	0.542	S	S	.	.				30	103.2	129	-38.1	156.1	0	0	0	111.7	N117 L121 E123	N117-I119 PolarHBondContact O-N 2.98Å; I119-L121 PolarHBondContact O-N 3.48Å; I119-E123 WeakPolarHBondContact CD1-O 3.4Å
120	S	45	Very low	56.7	Low	124 Å²	124	92.6 Å²	92.6	87%	0.867	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	6.9	-180	-53.4	0	0	0	0	116.3	D118	D118-S120 PolarHBondContact O-N 2.88Å
121	L	48.3	Very low	55.1	Low	156 Å²	156	92.7 Å²	92.7	82%	0.817	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-153.8	30.8	-153.8	-77.1	164.7	0	0	0	116.4	I119	I119-L121 PolarHBondContact O-N 3.48Å
122	G	47.1	Very low	53.4	Low	76 Å²	76	96.2 Å²	96.2	78%	0.784	56%	0.562	S	S	*	*			trans	80.4	27.7	150.8	0	0	0	0	0	120.1
123	E	44.9	Very low	52	Low	138 Å²	138	98.7 Å²	98.7	65%	0.645	58%	0.581	S	S	*	*			trans	-114.4	123.4	168.9	-99	-87.5	145.8	0	0	109.9	I119 D125	I119-E123 WeakPolarHBondContact CD1-O 3.4Å; E123-D125 PolarHBondContact O-N 3.43Å
124	P	54.1	Low	51.4	Low	86 Å²	86	101.5 Å²	101.5	56%	0.558	59%	0.585	S	S	*	*			trans	-69.6	125.9	174.1	26.1	-28.9	0	0	0	110.2	L126	P124-L126 PolarHBondContact O-N 2.88Å
125	D	61	Low	51.8	Low	83 Å²	83	100.1 Å²	100.1	44%	0.444	57%	0.567	S	S	.	*			trans	-62.4	100.6	172	-179.6	-2.1	0	0	0	109.8	E123 L127 A128 P129	E123-D125 PolarHBondContact O-N 3.43Å; D125-L127 PolarHBondContact O-N 3.41Å; D125-L127 WeakPolarHBondContact OD1-CB 3.36Å; D125-L127 PolarHBondContact OD1-N 3.49Å; D125-A128 HydrophobicContact CB-CB 3.81Å; D125-A128 WeakPolarHBondContact O-CB 3.49Å; D125-A128 PolarHBondContact O-N 3Å; D125-A128 PolarHBondContact OD1-N 3.46Å; D125-P129 WeakPolarHBondContact O-CD 3.35Å
126	L	60.7	Low	52.5	Low	141 Å²	141	97.6 Å²	97.6	74%	0.738	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-17.9	-178.3	-61.6	179.1	0	0	0	113.1	P124	P124-L126 PolarHBondContact O-N 2.88Å
127	L	60.6	Low	54.2	Low	131 Å²	131	95.6 Å²	95.6	69%	0.686	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-23.9	178.1	-57.3	179.9	0	0	0	112	D125 G130 V131	D125-L127 PolarHBondContact O-N 3.41Å; D125-L127 WeakPolarHBondContact OD1-CB 3.36Å; D125-L127 PolarHBondContact OD1-N 3.49Å; L127-G130 PolarHBondContact O-N 2.97Å; L127-G130 VanDerWaalsContact O-N 3.15Å; L127-V131 PolarHBondContact O-N 3.48Å; L127-V131 VanDerWaalsContact O-N 3.12Å
128	A	56.3	Low	56.7	Low	26 Å²	26	89.8 Å²	89.8	22%	0.215	53%	0.528	C	S	.	.	H	α-helix	trans	-55.4	-42.5	179.3	0	0	0	0	0	113.4	D125 G130 V131 Q132	D125-A128 HydrophobicContact CB-CB 3.81Å; D125-A128 WeakPolarHBondContact O-CB 3.49Å; D125-A128 PolarHBondContact O-N 3Å; D125-A128 PolarHBondContact OD1-N 3.46Å; A128-G130 PolarHBondContact O-N 3.26Å; A128-V131 PolarHBondContact O-N 3.39Å; A128-Q132 VanDerWaalsContact O-CB 3.28Å; A128-Q132 WeakPolarHBondContact O-CB 3.29Å; A128-Q132 VanDerWaalsContact O-CG 3.3Å; A128-Q132 WeakPolarHBondContact O-CG 3.34Å; A128-Q132 PolarHBondContact O-N 2.9Å
129	P	55.1	Low	59.3	Low	87 Å²	87	85.6 Å²	85.6	57%	0.565	50%	0.504	S	S	*	.	H	α-helix	trans	-60.4	-41.4	176.7	-24.6	33.2	0	0	0	113.2	D125 C133	D125-P129 WeakPolarHBondContact O-CD 3.35Å; P129-C133 WeakPolarHBondContact O-CB 3.42Å; P129-C133 PolarHBondContact O-N 3.03Å
130	G	53.9	Low	61.5	Low	50 Å²	50	82.4 Å²	82.4	52%	0.515	49%	0.488	S	S	.	.	H	α-helix	trans	-66.4	-45.4	-179.7	0	0	0	0	0	112.2	L127 A128 C133 E134	L127-G130 PolarHBondContact O-N 2.97Å; L127-G130 VanDerWaalsContact O-N 3.15Å; A128-G130 PolarHBondContact O-N 3.26Å; G130-C133 PolarHBondContact O-N 3.23Å; G130-E134 PolarHBondContact O-N 2.88Å
131	V	55.8	Low	63.9	Low	78 Å²	78	76.5 Å²	76.5	47%	0.473	45%	0.447	S	S	.	.	H	α-helix	trans	-69.4	-35.7	178.2	179.7	0	0	0	0	111.8	L127 A128 Q135	L127-V131 PolarHBondContact O-N 3.48Å; L127-V131 VanDerWaalsContact O-N 3.12Å; A128-V131 PolarHBondContact O-N 3.39Å; V131-Q135 PolarHBondContact O-N 3.49Å
132	Q	51.5	Low	66.2	Low	95 Å²	95	71.9 Å²	71.9	44%	0.444	42%	0.42	S	S	.	.	H	α-helix	trans	-70.2	-42.3	175.3	-75.4	-168.8	36.6	0	0	111.9	A128 E134 Q135 T136	A128-Q132 VanDerWaalsContact O-CB 3.28Å; A128-Q132 WeakPolarHBondContact O-CB 3.29Å; A128-Q132 VanDerWaalsContact O-CG 3.3Å; A128-Q132 WeakPolarHBondContact O-CG 3.34Å; A128-Q132 PolarHBondContact O-N 2.9Å; Q132-E134 VanDerWaalsContact C-N 3.28Å; Q132-E134 PolarHBondContact O-N 3.48Å; Q132-Q135 PolarHBondContact O-N 3.09Å; Q132-Q135 VanDerWaalsContact O-N 3.09Å; Q132-T136 WeakPolarHBondContact O-CG2 3.4Å; Q132-T136 PolarHBondContact O-N 2.83Å; Q132-T136 PolarHBondContact O-OG1 2.78Å; Q132-T136 VanDerWaalsContact O-OG1 3.11Å
133	C	51.7	Low	68.5	Low	81 Å²	81	68.2 Å²	68.2	55%	0.547	38%	0.383	S	S	.	.	H	α-helix	trans	-55	-45.5	177.5	-173.1	0	0	0	0	111.2	P129 G130 Q135 T136 D137	P129-C133 WeakPolarHBondContact O-CB 3.42Å; P129-C133 PolarHBondContact O-N 3.03Å; G130-C133 PolarHBondContact O-N 3.23Å; C133-Q135 VanDerWaalsContact C-N 3.3Å; C133-Q135 PolarHBondContact O-N 2.85Å; C133-T136 VanDerWaalsContact CA-OG1 3.3Å; C133-T136 WeakPolarHBondContact CA-OG1 3.36Å; C133-T136 PolarHBondContact O-N 2.84Å; C133-T136 PolarHBondContact O-OG1 3.02Å; C133-D137 PolarHBondContact O-N 2.92Å
134	E	55.7	Low	70.8	Confident	92 Å²	92	63.7 Å²	63.7	43%	0.43	36%	0.363	S	S	.	.	H	α-helix	trans	-66.1	-29.7	179.9	-153.5	-157.9	135.5	0	0	113.4	G130 Q132 R138	G130-E134 PolarHBondContact O-N 2.88Å; Q132-E134 VanDerWaalsContact C-N 3.28Å; Q132-E134 PolarHBondContact O-N 3.48Å; E134-R138 WeakPolarHBondContact O-CG 3.29Å; E134-R138 PolarHBondContact O-NE 2.82Å; E134-R138 VanDerWaalsContact O-NE 3.15Å; E134-R138 IonicContact OE1-NH2 3.84Å; E134-R138 PolarHBondContact OE1-NH2 3.46Å
135	Q	59.7	Low	72.6	Confident	68 Å²	68	64 Å²	64	32%	0.318	37%	0.365	S	S	.	.	H	α-helix	trans	-83.3	-32.3	176	-72.8	-172.1	23.2	0	0	113.3	V131 Q132 C133 D137 R138	V131-Q135 PolarHBondContact O-N 3.49Å; Q132-Q135 PolarHBondContact O-N 3.09Å; Q132-Q135 VanDerWaalsContact O-N 3.09Å; C133-Q135 VanDerWaalsContact C-N 3.3Å; C133-Q135 PolarHBondContact O-N 2.85Å; Q135-D137 PolarHBondContact O-N 3.15Å; Q135-R138 PolarHBondContact O-N 2.89Å
136	T	65.1	Low	74	Confident	108 Å²	108	61.1 Å²	61.1	66%	0.663	35%	0.351	S	S	*	.	H	α-helix	trans	-68.2	-20.6	176.9	48.2	0	0	0	0	112.5	Q132 C133 R138	Q132-T136 WeakPolarHBondContact O-CG2 3.4Å; Q132-T136 PolarHBondContact O-N 2.83Å; Q132-T136 PolarHBondContact O-OG1 2.78Å; Q132-T136 VanDerWaalsContact O-OG1 3.11Å; C133-T136 VanDerWaalsContact CA-OG1 3.3Å; C133-T136 WeakPolarHBondContact CA-OG1 3.36Å; C133-T136 PolarHBondContact O-N 2.84Å; C133-T136 PolarHBondContact O-OG1 3.02Å; T136-R138 PolarHBondContact O-N 2.86Å
137	D	84.8	Confident	75.2	Confident	60 Å²	60	60.6 Å²	60.6	32%	0.321	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	13.6	179.9	-157.1	38.7	0	0	0	114.3	C133 Q135 R222	C133-D137 PolarHBondContact O-N 2.92Å; Q135-D137 PolarHBondContact O-N 3.15Å; D137-R222 VanDerWaalsContact CG-NH1 3.26Å; D137-R222 PolarHBondContact O-NH1 2.82Å; D137-R222 IonicContact OD1-CZ 3.46Å; D137-R222 IonicContact OD1-NH1 3.4Å; D137-R222 PolarHBondContact OD1-NH1 2.98Å; D137-R222 IonicContact OD1-NH2 2.74Å; D137-R222 PolarHBondContact OD1-NH2 2.82Å; D137-R222 IonicContact OD2-NH1 3.09Å
138	R	93.1	Very high	76.2	Confident	20 Å²	20	58.5 Å²	58.5	8%	0.075	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	135.3	-176.3	-48.9	-175.8	-177.5	178.8	-3.9	111.2	E134 Q135 T136 K156 L157 Q158 P172	E134-R138 WeakPolarHBondContact O-CG 3.29Å; E134-R138 PolarHBondContact O-NE 2.82Å; E134-R138 VanDerWaalsContact O-NE 3.15Å; E134-R138 IonicContact OE1-NH2 3.84Å; E134-R138 PolarHBondContact OE1-NH2 3.46Å; Q135-R138 PolarHBondContact O-N 2.89Å; T136-R138 PolarHBondContact O-N 2.86Å; R138-K156 HydrophobicContact CB-CB 4.08Å; R138-K156 HydrophobicContact CB-CD 4.14Å; R138-L157 CarbonylContact C-O 3.58Å; R138-L157 WeakPolarHBondContact CA-O 3.21Å; R138-Q158 HydrophobicContact CG-CB 4.04Å; R138-Q158 HydrophobicContact CG-CG 4.19Å; R138-P172 PolarHBondContact NH1-O 3.43Å
139	F	94.6	Very high	77.6	Confident	10 Å²	10	58.5 Å²	58.5	4%	0.044	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	142.8	177.3	-59.3	-85.6	0	0	0	111.2	V141 K156 L157 I159 E215 Q218 I219 R222	F139-V141 HydrophobicContact CB-CG1 4.22Å; F139-K156 CarbonylContact O-C 3.59Å; F139-K156 VanDerWaalsContact O-CA 3.29Å; F139-K156 WeakPolarHBondContact O-CA 3.49Å; F139-L157 HydrophobicContact CB-CB 4.41Å; F139-L157 PolarHBondContact N-O 3.5Å; F139-L157 PolarHBondContact O-N 3.07Å; F139-I159 HydrophobicContact CD2-CD1 3.71Å; F139-I159 HydrophobicContact CE2-CD1 3.63Å; F139-E215 HydrophobicContact CD1-CB 3.73Å; F139-E215 HydrophobicContact CD1-CG 4.3Å; F139-E215 HydrophobicContact CE1-CB 4.21Å; F139-Q218 HydrophobicContact CE1-CB 3.81Å; F139-Q218 HydrophobicContact CZ-CB 4.11Å; F139-I219 HydrophobicContact CB-CD1 3.88Å; F139-I219 HydrophobicContact CB-CG1 4.04Å; F139-I219 HydrophobicContact CD1-CD1 4.25Å; F139-I219 HydrophobicContact CD1-CG1 3.77Å; F139-I219 HydrophobicContact CD2-CD1 4.34Å; F139-I219 HydrophobicContact CD2-CG1 3.57Å; F139-I219 HydrophobicContact CE1-CG1 4.04Å; F139-I219 HydrophobicContact CE2-CG1 3.86Å; F139-I219 HydrophobicContact CG-CD1 3.9Å; F139-I219 HydrophobicContact CG-CG1 3.5Å; F139-I219 VanDerWaalsContact CG-CG1 3.5Å; F139-I219 HydrophobicContact CZ-CG1 4.06Å; F139-R222 VanDerWaalsContact CE2-NH1 3.31Å
140	N	93.7	Very high	79.1	Confident	20 Å²	20	60.4 Å²	60.4	11%	0.107	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	126.2	171.1	-57	-73.9	0	0	0	109	S34 S35 T213	S34-N140 WeakPolarHBondContact CB-ND2 3.31Å; S35-N140 WeakPolarHBondContact O-CB 3.41Å; N140-T213 PolarHBondContact O-OG1 3.06Å
141	V	95.4	Very high	80.7	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	154.1	-175.8	-58.8	0	0	0	0	110.8	F139 E154 C155 L157 L166 F211 T213 I219	F139-V141 HydrophobicContact CB-CG1 4.22Å; V141-E154 WeakPolarHBondContact O-CA 3.47Å; V141-C155 PolarHBondContact N-O 2.72Å; V141-C155 PolarHBondContact O-N 3.33Å; V141-C155 VanDerWaalsContact O-O 3.07Å; V141-L157 HydrophobicContact CG1-CB 3.84Å; V141-L157 HydrophobicContact CG1-CD2 4.29Å; V141-L157 HydrophobicContact CG2-CB 3.83Å; V141-L166 HydrophobicContact CG2-CD1 4.19Å; V141-F211 HydrophobicContact CB-CB 4.1Å; V141-F211 HydrophobicContact CB-CD1 4.06Å; V141-F211 HydrophobicContact CB-CG 4.49Å; V141-F211 HydrophobicContact CG1-CB 4.38Å; V141-F211 HydrophobicContact CG2-CD1 3.61Å; V141-F211 HydrophobicContact CG2-CE1 4.3Å; V141-F211 HydrophobicContact CG2-CG 4.46Å; V141-T213 HydrophobicContact CG1-CG2 4.36Å; V141-I219 HydrophobicContact CG1-CD1 3.98Å
142	F	95.1	Very high	82.5	Confident	59 Å²	59	59.9 Å²	59.9	26%	0.259	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	109.5	170	-173.8	-72.9	0	0	0	108.7	S36 L144 G153 E154 F211 Q212	S36-F142 VanDerWaalsContact CB-N 3.35Å; F142-L144 HydrophobicContact CD1-CD2 4.01Å; F142-L144 HydrophobicContact CE1-CD2 4.11Å; F142-L144 PolarHBondContact O-N 2.73Å; F142-G153 CarbonylContact C-O 3.55Å; F142-G153 WeakPolarHBondContact CA-O 3.34Å; F142-E154 HydrophobicContact CD2-CG 3.88Å; F142-F211 CarbonylContact O-C 3.58Å; F142-F211 WeakPolarHBondContact O-CA 3.4Å; F142-Q212 HydrophobicContact CB-CB 4.21Å; F142-Q212 PolarHBondContact N-O 3.03Å; F142-Q212 PolarHBondContact O-N 2.73Å
143	L	95.3	Very high	84.5	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	122.1	175.9	173.6	59.5	0	0	0	109.5	L149 V151 G153 L166 F211	L143-L149 HydrophobicContact CD2-CD2 3.73Å; L143-V151 HydrophobicContact CD2-CG1 4.45Å; L143-V151 WeakPolarHBondContact CD2-O 3.43Å; L143-G153 PolarHBondContact N-O 3.16Å; L143-G153 PolarHBondContact O-N 2.98Å; L143-L166 HydrophobicContact CD2-CD2 3.63Å; L143-F211 HydrophobicContact CB-CD1 4.14Å; L143-F211 HydrophobicContact CB-CE1 4.05Å; L143-F211 HydrophobicContact CD1-CD1 4.16Å; L143-F211 HydrophobicContact CD1-CE1 3.72Å; L143-F211 HydrophobicContact CD1-CE2 4.46Å; L143-F211 HydrophobicContact CD1-CZ 3.89Å; L143-F211 HydrophobicContact CG-CE1 4.32Å
144	L	93.7	Very high	86.5	Confident	43 Å²	43	52 Å²	52	23%	0.225	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-71.8	148	173.3	-61.9	-176.7	0	0	0	110.9	F142 C146 R193 T210	F142-L144 HydrophobicContact CD1-CD2 4.01Å; F142-L144 HydrophobicContact CE1-CD2 4.11Å; F142-L144 PolarHBondContact O-N 2.73Å; L144-C146 PolarHBondContact O-N 3.31Å; L144-R193 VanDerWaalsContact CD1-NH1 3.28Å; L144-T210 HydrophobicContact CD1-CG2 3.47Å; L144-T210 VanDerWaalsContact CD1-CG2 3.47Å; L144-T210 HydrophobicContact CG-CG2 4.18Å; L144-T210 PolarHBondContact N-O 2.91Å
145	P	92.5	Very high	88.3	Confident	91 Å²	91	47.7 Å²	47.7	59%	0.591	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-53.7	134.8	174.2	-24.9	33.8	0	0	0	111.9	Y152	P145-Y152 HydrophobicContact CB-CG 4.47Å; P145-Y152 HydrophobicContact CG-CD2 4.01Å; P145-Y152 HydrophobicContact CG-CG 4.08Å
146	C	89.2	Confident	89.9	Confident	23 Å²	23	46.6 Å²	46.6	16%	0.155	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-139.7	154.7	175.3	59.8	0	0	0	0	110.8	L144 N148	L144-C146 PolarHBondContact O-N 3.31Å; C146-N148 VanDerWaalsContact C-N 3.31Å; C146-N148 PolarHBondContact O-N 3.01Å
147	P	86.1	Confident	91.4	Very high	130 Å²	130	41.5 Å²	41.5	84%	0.844	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-30	-171.3	-25.2	35.4	0	0	0	115.2
148	N	81.7	Confident	92	Very high	88 Å²	88	39.4 Å²	39.4	47%	0.471	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	4.2	-168	-60	-26.7	0	0	0	113.7	C146 E206	C146-N148 VanDerWaalsContact C-N 3.31Å; C146-N148 PolarHBondContact O-N 3.01Å; N148-E206 PolarHBondContact ND2-O 3.42Å
149	L	86.6	Confident	92.1	Very high	25 Å²	25	38.9 Å²	38.9	13%	0.131	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-146	115	-176.7	-178.5	61.5	0	0	0	110.3	L143 V151 V177 W179 Y209	L143-L149 HydrophobicContact CD2-CD2 3.73Å; L149-V151 HydrophobicContact CD1-CB 4Å; L149-V151 HydrophobicContact CD1-CG2 3.86Å; L149-V151 HydrophobicContact CD2-CB 4.2Å; L149-V151 HydrophobicContact CG-CB 3.8Å; L149-V151 HydrophobicContact CG-CG2 4.22Å; L149-V151 PolarHBondContact O-N 2.57Å; L149-V177 HydrophobicContact CD1-CB 4.44Å; L149-V177 HydrophobicContact CD2-CG1 4.03Å; L149-W179 HydrophobicContact CD2-CH2 4.47Å; L149-W179 HydrophobicContact CD2-CZ2 4.07Å; L149-Y209 HydrophobicContact CB-CE1 4.2Å; L149-Y209 HydrophobicContact CD2-CD1 4.32Å; L149-Y209 HydrophobicContact CD2-CE1 3.97Å
150	D	86.8	Confident	92.1	Very high	128 Å²	128	40.2 Å²	40.2	68%	0.684	22%	0.22	S	C	*	.	S	Bend	trans	-79.1	37.7	173.5	-173.6	23	0	0	0	112.5	M1	M1-D150 PolarHBondContact N-O 3.48Å; M1-D150 PolarHBondContact N-OD1 3.06Å
151	V	87.6	Confident	92	Very high	35 Å²	35	46.9 Å²	46.9	21%	0.212	25%	0.25	C	S	.	.			trans	-129.3	125.9	175.1	-178.7	0	0	0	0	106.9	L143 L149 L166 L176	L143-V151 HydrophobicContact CD2-CG1 4.45Å; L143-V151 WeakPolarHBondContact CD2-O 3.43Å; L149-V151 HydrophobicContact CD1-CB 4Å; L149-V151 HydrophobicContact CD1-CG2 3.86Å; L149-V151 HydrophobicContact CD2-CB 4.2Å; L149-V151 HydrophobicContact CG-CB 3.8Å; L149-V151 HydrophobicContact CG-CG2 4.22Å; L149-V151 PolarHBondContact O-N 2.57Å; V151-L166 HydrophobicContact CG1-CD2 4.36Å; V151-L176 HydrophobicContact CG1-CB 4.43Å; V151-L176 HydrophobicContact CG1-CD1 3.86Å
152	Y	92	Very high	91.8	Very high	82 Å²	82	53.2 Å²	53.2	32%	0.322	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	159	175.8	60.3	-86.6	0	0	0	109.5	M1 A2 P145	M1-Y152 VanDerWaalsContact O-O 3.06Å; A2-Y152 HydrophobicContact CB-CD2 4.17Å; A2-Y152 HydrophobicContact CB-CE2 3.24Å; A2-Y152 WeakPolarHBondContact CB-OH 3.46Å; P145-Y152 HydrophobicContact CB-CG 4.47Å; P145-Y152 HydrophobicContact CG-CD2 4.01Å; P145-Y152 HydrophobicContact CG-CG 4.08Å
153	G	93.3	Very high	91.7	Very high	2 Å²	2	51.7 Å²	51.7	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	107.4	-163.3	-176.1	0	0	0	0	0	113.7	F142 L143 C155	F142-G153 CarbonylContact C-O 3.55Å; F142-G153 WeakPolarHBondContact CA-O 3.34Å; L143-G153 PolarHBondContact N-O 3.16Å; L143-G153 PolarHBondContact O-N 2.98Å; G153-C155 PolarHBondContact O-SG 2.96Å
154	E	94.2	Very high	91.7	Very high	7 Å²	7	51.7 Å²	51.7	3%	0.033	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	132.7	-177.3	-68.4	-79.7	169	0	0	111.4	T3 F5 S36 V141 F142 I169	T3-E154 PolarHBondContact OG1-N 2.84Å; T3-E154 PolarHBondContact OG1-O 2.99Å; F5-E154 HydrophobicContact CB-CB 3.85Å; F5-E154 HydrophobicContact CB-CG 3.6Å; F5-E154 HydrophobicContact CD1-CB 4.15Å; F5-E154 HydrophobicContact CD1-CG 3.57Å; F5-E154 HydrophobicContact CD2-CB 4.25Å; F5-E154 HydrophobicContact CE1-CG 4.29Å; F5-E154 HydrophobicContact CG-CB 3.85Å; F5-E154 HydrophobicContact CG-CG 3.67Å; S36-E154 WeakPolarHBondContact CB-OE1 3.4Å; S36-E154 WeakPolarHBondContact CB-OE2 3.41Å; S36-E154 PolarHBondContact N-OE2 3.32Å; S36-E154 VanDerWaalsContact OG-CD 3.31Å; S36-E154 PolarHBondContact OG-OE1 3.07Å; S36-E154 PolarHBondContact OG-OE2 3.19Å; V141-E154 WeakPolarHBondContact O-CA 3.47Å; F142-E154 HydrophobicContact CD2-CG 3.88Å; E154-I169 HydrophobicContact CB-CD1 3.62Å; E154-I169 HydrophobicContact CB-CG2 4.46Å; E154-I169 WeakPolarHBondContact O-CG2 3.29Å
155	C	93.6	Very high	91.8	Very high	3 Å²	3	52 Å²	52	2%	0.02	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	171.8	-176.8	43.1	0	0	0	0	110.2	V141 G153 L166 W167 L176	V141-C155 PolarHBondContact N-O 2.72Å; V141-C155 PolarHBondContact O-N 3.33Å; V141-C155 VanDerWaalsContact O-O 3.07Å; G153-C155 PolarHBondContact O-SG 2.96Å; C155-L166 HydrophobicContact CB-CD1 3.92Å; C155-L166 HydrophobicContact CB-CD2 4.2Å; C155-L166 HydrophobicContact CB-CG 3.87Å; C155-L166 VanDerWaalsContact SG-CD1 3.52Å; C155-W167 WeakPolarHBondContact CB-O 3.43Å; C155-L176 HydrophobicContact CB-CD1 4.35Å
156	K	94.4	Very high	91.9	Very high	45 Å²	45	47.7 Å²	47.7	20%	0.196	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.9	175.2	-74.7	-164.9	175.9	-165.6	0	110.9	R138 F139 W167	R138-K156 HydrophobicContact CB-CB 4.08Å; R138-K156 HydrophobicContact CB-CD 4.14Å; F139-K156 CarbonylContact O-C 3.59Å; F139-K156 VanDerWaalsContact O-CA 3.29Å; F139-K156 WeakPolarHBondContact O-CA 3.49Å; K156-W167 HydrophobicContact CB-CB 4.11Å; K156-W167 PolarHBondContact N-O 3.42Å; K156-W167 PolarHBondContact O-N 3.21Å
157	L	96.3	Very high	92.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.1	177.6	-167.7	73.8	0	0	0	109.9	R138 F139 V141 I159 I164 Y165 L166 F194 F211 I219	R138-L157 CarbonylContact C-O 3.58Å; R138-L157 WeakPolarHBondContact CA-O 3.21Å; F139-L157 HydrophobicContact CB-CB 4.41Å; F139-L157 PolarHBondContact N-O 3.5Å; F139-L157 PolarHBondContact O-N 3.07Å; V141-L157 HydrophobicContact CG1-CB 3.84Å; V141-L157 HydrophobicContact CG1-CD2 4.29Å; V141-L157 HydrophobicContact CG2-CB 3.83Å; L157-I159 HydrophobicContact CD2-CD1 4.09Å; L157-I159 HydrophobicContact CG-CD1 4.17Å; L157-I164 HydrophobicContact CD1-CG2 3.49Å; L157-I164 VanDerWaalsContact CD1-CG2 3.49Å; L157-I164 HydrophobicContact CG-CG2 4.21Å; L157-Y165 WeakPolarHBondContact CA-O 3.35Å; L157-L166 HydrophobicContact CD1-CD1 3.89Å; L157-F194 HydrophobicContact CD2-CD1 4.27Å; L157-F194 HydrophobicContact CD2-CE1 4.48Å; L157-F211 HydrophobicContact CD1-CE1 4.08Å; L157-F211 HydrophobicContact CD1-CZ 4.19Å; L157-I219 HydrophobicContact CD2-CD1 4.15Å; L157-I219 HydrophobicContact CD2-CG1 4.36Å; L157-I219 HydrophobicContact CD2-CG2 3.64Å
158	Q	96	Very high	92.4	Very high	16 Å²	16	43.5 Å²	43.5	8%	0.075	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.9	173.9	-171.1	-175.8	13	0	0	109.4	R138 T160 I164 Y165	R138-Q158 HydrophobicContact CG-CB 4.04Å; R138-Q158 HydrophobicContact CG-CG 4.19Å; Q158-T160 HydrophobicContact CG-CG2 4.34Å; Q158-I164 WeakPolarHBondContact O-CA 3.45Å; Q158-Y165 PolarHBondContact N-O 2.8Å; Q158-Y165 PolarHBondContact O-N 3.42Å
159	I	95.5	Very high	92.7	Very high	10 Å²	10	40.7 Å²	40.7	5%	0.051	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	115.5	177.2	-57.7	92.4	0	0	0	107.1	F139 L157 I219 R222 V223	F139-I159 HydrophobicContact CD2-CD1 3.71Å; F139-I159 HydrophobicContact CE2-CD1 3.63Å; L157-I159 HydrophobicContact CD2-CD1 4.09Å; L157-I159 HydrophobicContact CG-CD1 4.17Å; I159-I219 HydrophobicContact CD1-CG2 4.09Å; I159-R222 HydrophobicContact CB-CB 4.26Å; I159-R222 HydrophobicContact CG2-CB 4.19Å; I159-V223 HydrophobicContact CG1-CG2 3.79Å; I159-V223 HydrophobicContact CG2-CG2 3.99Å
160	T	94.1	Very high	92.6	Very high	38 Å²	38	45.4 Å²	45.4	23%	0.233	22%	0.218	C	C	.	.			trans	-101.9	179.6	174.8	65.8	0	0	0	0	110.1	Q158 E162 N163 Y165 L181	Q158-T160 HydrophobicContact CG-CG2 4.34Å; T160-E162 PolarHBondContact O-N 2.97Å; T160-N163 PolarHBondContact N-O 3Å; T160-N163 PolarHBondContact OG1-N 3.21Å; T160-N163 PolarHBondContact OG1-O 3.4Å; T160-Y165 HydrophobicContact CG2-CD2 3.78Å; T160-Y165 HydrophobicContact CG2-CE2 3.63Å; T160-L181 WeakPolarHBondContact O-CD1 3.46Å
161	H	92.1	Very high	92.6	Very high	159 Å²	159	42.9 Å²	42.9	74%	0.736	20%	0.204	S	C	*	.	S	Bend	trans	-62.3	-23	177.4	-58.5	98.4	0	0	0	113.7	I230	H161-I230 WeakPolarHBondContact O-CD1 3.25Å
162	E	91.2	Very high	92.4	Very high	133 Å²	133	43.1 Å²	43.1	62%	0.621	21%	0.206	S	C	*	.	S	Bend	trans	-123.4	-26.2	-173.3	-65.6	-178.6	175	0	0	113.7	T160 L181	T160-E162 PolarHBondContact O-N 2.97Å; E162-L181 WeakPolarHBondContact O-CB 3.31Å; E162-L181 PolarHBondContact O-N 3.3Å
163	N	94	Very high	92.1	Very high	27 Å²	27	49.6 Å²	49.6	14%	0.144	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149	-167.7	-68.3	-80.1	0	0	0	112.3	T160 Y165 W179 P180	T160-N163 PolarHBondContact N-O 3Å; T160-N163 PolarHBondContact OG1-N 3.21Å; T160-N163 PolarHBondContact OG1-O 3.4Å; N163-Y165 HydrophobicContact CB-CD1 4.46Å; N163-Y165 HydrophobicContact CB-CD2 4.37Å; N163-Y165 HydrophobicContact CB-CE1 3.85Å; N163-Y165 HydrophobicContact CB-CE2 3.73Å; N163-Y165 VanDerWaalsContact CB-CZ 3.45Å; N163-Y165 PolarHBondContact ND2-OH 3.34Å; N163-W179 WeakPolarHBondContact CA-O 3.26Å; N163-P180 VanDerWaalsContact OD1-CA 3.3Å; N163-P180 WeakPolarHBondContact OD1-CA 3.39Å
164	I	95.5	Very high	92	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	127.9	160.6	-58.6	178.7	0	0	0	107.7	L157 Q158 S178 W179 L181 L184 F196 V223	L157-I164 HydrophobicContact CD1-CG2 3.49Å; L157-I164 VanDerWaalsContact CD1-CG2 3.49Å; L157-I164 HydrophobicContact CG-CG2 4.21Å; Q158-I164 WeakPolarHBondContact O-CA 3.45Å; I164-S178 CarbonylContact O-C 3.59Å; I164-S178 WeakPolarHBondContact O-CA 3.33Å; I164-W179 HydrophobicContact CB-CB 4.45Å; I164-W179 HydrophobicContact CB-CE3 4.2Å; I164-W179 HydrophobicContact CG2-CE3 3.91Å; I164-W179 HydrophobicContact CG2-CZ3 4.27Å; I164-W179 PolarHBondContact N-O 3.28Å; I164-W179 PolarHBondContact O-N 3.37Å; I164-L181 HydrophobicContact CD1-CD2 3.92Å; I164-L181 HydrophobicContact CG1-CD2 3.65Å; I164-L181 HydrophobicContact CG1-CG 4.44Å; I164-L184 HydrophobicContact CD1-CD1 3.89Å; I164-F196 HydrophobicContact CD1-CD1 4.29Å; I164-F196 HydrophobicContact CD1-CE1 4.19Å; I164-F196 HydrophobicContact CG2-CE1 4.44Å; I164-V223 HydrophobicContact CD1-CG1 4.38Å; I164-V223 HydrophobicContact CD1-CG2 3.87Å; I164-V223 HydrophobicContact CG1-CG2 4.4Å
165	Y	94.9	Very high	91.9	Very high	51 Å²	51	57.1 Å²	57.1	20%	0.2	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	139.9	176.3	-62.6	-62.4	0	0	0	111.1	L157 Q158 T160 N163 K175	L157-Y165 WeakPolarHBondContact CA-O 3.35Å; Q158-Y165 PolarHBondContact N-O 2.8Å; Q158-Y165 PolarHBondContact O-N 3.42Å; T160-Y165 HydrophobicContact CG2-CD2 3.78Å; T160-Y165 HydrophobicContact CG2-CE2 3.63Å; N163-Y165 HydrophobicContact CB-CD1 4.46Å; N163-Y165 HydrophobicContact CB-CD2 4.37Å; N163-Y165 HydrophobicContact CB-CE1 3.85Å; N163-Y165 HydrophobicContact CB-CE2 3.73Å; N163-Y165 VanDerWaalsContact CB-CZ 3.45Å; N163-Y165 PolarHBondContact ND2-OH 3.34Å; Y165-K175 HydrophobicContact CD1-CD 3.53Å; Y165-K175 HydrophobicContact CD1-CG 4.3Å; Y165-K175 HydrophobicContact CE1-CD 3.87Å; Y165-K175 HydrophobicContact CG-CD 4.42Å
166	L	94.8	Very high	91.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	131	165.6	-155	67.4	0	0	0	109.7	V141 L143 V151 C155 L157 L176 V177 W179 F211	V141-L166 HydrophobicContact CG2-CD1 4.19Å; L143-L166 HydrophobicContact CD2-CD2 3.63Å; V151-L166 HydrophobicContact CG1-CD2 4.36Å; C155-L166 HydrophobicContact CB-CD1 3.92Å; C155-L166 HydrophobicContact CB-CD2 4.2Å; C155-L166 HydrophobicContact CB-CG 3.87Å; C155-L166 VanDerWaalsContact SG-CD1 3.52Å; L157-L166 HydrophobicContact CD1-CD1 3.89Å; L166-L176 HydrophobicContact CB-CB 4.32Å; L166-L176 HydrophobicContact CD2-CD1 4.31Å; L166-L176 HydrophobicContact CG-CD1 4.35Å; L166-L176 PolarHBondContact O-N 3.37Å; L166-V177 HydrophobicContact CB-CG1 3.47Å; L166-V177 VanDerWaalsContact CB-CG1 3.47Å; L166-V177 HydrophobicContact CD2-CG1 3.85Å; L166-V177 HydrophobicContact CG-CG1 4.33Å; L166-V177 PolarHBondContact N-O 3.04Å; L166-W179 HydrophobicContact CB-CH2 4.27Å; L166-W179 HydrophobicContact CB-CZ3 4.02Å; L166-W179 HydrophobicContact CD2-CH2 4.36Å; L166-F211 HydrophobicContact CD1-CD1 4.46Å; L166-F211 HydrophobicContact CD1-CE1 3.69Å
167	W	93.8	Very high	91.8	Very high	31 Å²	31	58 Å²	58	12%	0.117	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	148.8	-179.1	-60.9	92.1	0	0	0	111	C155 K156 V174 K175	C155-W167 WeakPolarHBondContact CB-O 3.43Å; K156-W167 HydrophobicContact CB-CB 4.11Å; K156-W167 PolarHBondContact N-O 3.42Å; K156-W167 PolarHBondContact O-N 3.21Å; W167-V174 WeakPolarHBondContact CA-O 3.47Å; W167-K175 HydrophobicContact CE3-CB 4Å; W167-K175 HydrophobicContact CH2-CB 4.17Å; W167-K175 HydrophobicContact CZ3-CB 3.79Å
168	D	91.3	Very high	91.6	Very high	34 Å²	34	58.6 Å²	58.6	18%	0.182	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	138.7	174	-170.6	-84.2	0	0	0	111.1	H170 N171 V174 L176	D168-H170 VanDerWaalsContact OD1-CA 3.31Å; D168-H170 WeakPolarHBondContact OD1-CA 3.47Å; D168-H170 VanDerWaalsContact OD1-CB 3.31Å; D168-H170 WeakPolarHBondContact OD1-CB 3.1Å; D168-H170 PolarHBondContact OD1-N 3.04Å; D168-N171 CarbonylContact O-C 3.48Å; D168-N171 PolarHBondContact OD1-N 3.03Å; D168-V174 HydrophobicContact CB-CB 3.97Å; D168-V174 HydrophobicContact CB-CG1 4.21Å; D168-V174 PolarHBondContact N-O 2.65Å; D168-L176 HydrophobicContact CB-CD1 4.33Å; D168-L176 HydrophobicContact CB-CD2 4.07Å; D168-L176 HydrophobicContact CB-CG 4.21Å
169	I	88.5	Confident	91.5	Very high	29 Å²	29	57.9 Å²	57.9	15%	0.149	28%	0.275	C	S	.	.	S	Bend	trans	-78.5	-25.7	-177.8	-166.6	160.4	0	0	0	113.1	F5 E154	F5-I169 HydrophobicContact CD2-CD1 3.78Å; F5-I169 HydrophobicContact CD2-CG1 4.29Å; F5-I169 HydrophobicContact CD2-CG2 4Å; F5-I169 HydrophobicContact CE1-CD1 4.14Å; F5-I169 HydrophobicContact CE2-CD1 3.23Å; F5-I169 HydrophobicContact CE2-CG1 3.66Å; F5-I169 HydrophobicContact CE2-CG2 4.17Å; F5-I169 HydrophobicContact CG-CD1 4.41Å; F5-I169 HydrophobicContact CZ-CD1 3.4Å; F5-I169 HydrophobicContact CZ-CG1 4.19Å; E154-I169 HydrophobicContact CB-CD1 3.62Å; E154-I169 HydrophobicContact CB-CG2 4.46Å; E154-I169 WeakPolarHBondContact O-CG2 3.29Å
170	H	85.1	Confident	91.4	Very high	124 Å²	124	58.9 Å²	58.9	57%	0.574	28%	0.282	S	S	*	.	S	Bend	trans	-89.4	-36.6	179.2	-58.5	-69.8	0	0	0	111.6	D168	D168-H170 VanDerWaalsContact OD1-CA 3.31Å; D168-H170 WeakPolarHBondContact OD1-CA 3.47Å; D168-H170 VanDerWaalsContact OD1-CB 3.31Å; D168-H170 WeakPolarHBondContact OD1-CB 3.1Å; D168-H170 PolarHBondContact OD1-N 3.04Å
171	N	86.1	Confident	91.3	Very high	74 Å²	74	57 Å²	57	40%	0.396	27%	0.271	S	S	.	.			trans	-120.4	97.5	176.5	-169.5	-19.3	0	0	0	110.9	D168 R173 V174	D168-N171 CarbonylContact O-C 3.48Å; D168-N171 PolarHBondContact OD1-N 3.03Å; N171-R173 PolarHBondContact O-N 3.05Å; N171-R173 WeakPolarHBondContact OD1-CB 3.28Å; N171-R173 PolarHBondContact OD1-N 2.81Å; N171-R173 VanDerWaalsContact OD1-N 3.14Å; N171-V174 HydrophobicContact CB-CB 4.29Å; N171-V174 HydrophobicContact CB-CG2 3.86Å; N171-V174 WeakPolarHBondContact ND2-CG2 3.47Å; N171-V174 PolarHBondContact O-N 3.33Å
172	P	83.8	Confident	91.3	Very high	40 Å²	40	51.1 Å²	51.1	26%	0.26	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-8	-175.8	27.4	-35.3	0	0	0	114	R138	R138-P172 PolarHBondContact NH1-O 3.43Å
173	R	86.6	Confident	91.2	Very high	218 Å²	218	45.6 Å²	45.6	82%	0.823	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-10.8	175.9	-58.6	-178	-178.1	174.5	0.3	113.3	N171	N171-R173 PolarHBondContact O-N 3.05Å; N171-R173 WeakPolarHBondContact OD1-CB 3.28Å; N171-R173 PolarHBondContact OD1-N 2.81Å; N171-R173 VanDerWaalsContact OD1-N 3.14Å
174	V	90.6	Very high	91.1	Very high	62 Å²	62	44.4 Å²	44.4	38%	0.376	22%	0.216	S	C	.	.			trans	-94	111.9	-177.4	175	0	0	0	0	109.8	W167 D168 N171 L176	W167-V174 WeakPolarHBondContact CA-O 3.47Å; D168-V174 HydrophobicContact CB-CB 3.97Å; D168-V174 HydrophobicContact CB-CG1 4.21Å; D168-V174 PolarHBondContact N-O 2.65Å; N171-V174 HydrophobicContact CB-CB 4.29Å; N171-V174 HydrophobicContact CB-CG2 3.86Å; N171-V174 WeakPolarHBondContact ND2-CG2 3.47Å; N171-V174 PolarHBondContact O-N 3.33Å; V174-L176 HydrophobicContact CG1-CD2 4.3Å
175	K	92.2	Very high	90.9	Very high	105 Å²	105	48.1 Å²	48.1	46%	0.457	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	124.3	169.8	-176.6	-178.5	62.8	163.6	0	109	Y165 W167	Y165-K175 HydrophobicContact CD1-CD 3.53Å; Y165-K175 HydrophobicContact CD1-CG 4.3Å; Y165-K175 HydrophobicContact CE1-CD 3.87Å; Y165-K175 HydrophobicContact CG-CD 4.42Å; W167-K175 HydrophobicContact CE3-CB 4Å; W167-K175 HydrophobicContact CH2-CB 4.17Å; W167-K175 HydrophobicContact CZ3-CB 3.79Å
176	L	91.9	Very high	90.8	Very high	55 Å²	55	51 Å²	51	29%	0.288	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-46.8	-179.9	-61.6	173.6	0	0	0	111.7	V151 C155 L166 D168 V174	V151-L176 HydrophobicContact CG1-CB 4.43Å; V151-L176 HydrophobicContact CG1-CD1 3.86Å; C155-L176 HydrophobicContact CB-CD1 4.35Å; L166-L176 HydrophobicContact CB-CB 4.32Å; L166-L176 HydrophobicContact CD2-CD1 4.31Å; L166-L176 HydrophobicContact CG-CD1 4.35Å; L166-L176 PolarHBondContact O-N 3.37Å; D168-L176 HydrophobicContact CB-CD1 4.33Å; D168-L176 HydrophobicContact CB-CD2 4.07Å; D168-L176 HydrophobicContact CB-CG 4.21Å; V174-L176 HydrophobicContact CG1-CD2 4.3Å
177	V	92.5	Very high	90.8	Very high	13 Å²	13	51.6 Å²	51.6	8%	0.079	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	154.4	-177.3	55.2	0	0	0	0	110.7	L149 L166 W179 A204	L149-V177 HydrophobicContact CD1-CB 4.44Å; L149-V177 HydrophobicContact CD2-CG1 4.03Å; L166-V177 HydrophobicContact CB-CG1 3.47Å; L166-V177 VanDerWaalsContact CB-CG1 3.47Å; L166-V177 HydrophobicContact CD2-CG1 3.85Å; L166-V177 HydrophobicContact CG-CG1 4.33Å; L166-V177 PolarHBondContact N-O 3.04Å; V177-W179 HydrophobicContact CB-CH2 4.29Å; V177-W179 HydrophobicContact CB-CZ2 4.31Å; V177-W179 HydrophobicContact CG1-CE3 4.41Å; V177-W179 HydrophobicContact CG1-CH2 3.18Å; V177-W179 HydrophobicContact CG1-CZ2 3.58Å; V177-W179 HydrophobicContact CG1-CZ3 3.65Å; V177-W179 HydrophobicContact CG2-CD2 4.24Å; V177-W179 HydrophobicContact CG2-CH2 4.13Å; V177-W179 HydrophobicContact CG2-CZ2 3.7Å; V177-A204 HydrophobicContact CG2-CB 3.9Å
178	S	93.2	Very high	90.9	Very high	12 Å²	12	50.8 Å²	50.8	8%	0.084	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.3	175.1	35.1	0	0	0	0	111.9	I164 D203	I164-S178 CarbonylContact O-C 3.59Å; I164-S178 WeakPolarHBondContact O-CA 3.33Å; S178-D203 PolarHBondContact OG-OD2 3.12Å
179	W	93.8	Very high	91.1	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	116.4	170	-57.3	-87.5	0	0	0	109.8	L149 N163 I164 L166 V177 L181 F196 Y209 F211	L149-W179 HydrophobicContact CD2-CH2 4.47Å; L149-W179 HydrophobicContact CD2-CZ2 4.07Å; N163-W179 WeakPolarHBondContact CA-O 3.26Å; I164-W179 HydrophobicContact CB-CB 4.45Å; I164-W179 HydrophobicContact CB-CE3 4.2Å; I164-W179 HydrophobicContact CG2-CE3 3.91Å; I164-W179 HydrophobicContact CG2-CZ3 4.27Å; I164-W179 PolarHBondContact N-O 3.28Å; I164-W179 PolarHBondContact O-N 3.37Å; L166-W179 HydrophobicContact CB-CH2 4.27Å; L166-W179 HydrophobicContact CB-CZ3 4.02Å; L166-W179 HydrophobicContact CD2-CH2 4.36Å; V177-W179 HydrophobicContact CB-CH2 4.29Å; V177-W179 HydrophobicContact CB-CZ2 4.31Å; V177-W179 HydrophobicContact CG1-CE3 4.41Å; V177-W179 HydrophobicContact CG1-CH2 3.18Å; V177-W179 HydrophobicContact CG1-CZ2 3.58Å; V177-W179 HydrophobicContact CG1-CZ3 3.65Å; V177-W179 HydrophobicContact CG2-CD2 4.24Å; V177-W179 HydrophobicContact CG2-CH2 4.13Å; V177-W179 HydrophobicContact CG2-CZ2 3.7Å; W179-L181 PolarHBondContact O-N 3.09Å; W179-F196 HydrophobicContact CB-CE2 4.32Å; W179-F196 HydrophobicContact CB-CZ 4.46Å; W179-F196 AromaticContact CD1-CE2 3.92Å; W179-F196 AromaticContact CD2-CE2 3.88Å; W179-F196 HydrophobicContact CD2-CE2 3.88Å; W179-F196 AromaticContact CD2-CZ 3.47Å; W179-F196 HydrophobicContact CD2-CZ 3.47Å; W179-F196 VanDerWaalsContact CD2-CZ 3.47Å; W179-F196 AromaticContact CE2-CZ 3.72Å; W179-F196 HydrophobicContact CE3-CE1 4.43Å; W179-F196 HydrophobicContact CE3-CE2 4.45Å; W179-F196 AromaticContact CE3-CZ 3.62Å; W179-F196 HydrophobicContact CE3-CZ 3.62Å; W179-F196 AromaticContact CG-CE2 3.8Å; W179-F196 HydrophobicContact CG-CE2 3.8Å; W179-F196 AromaticContact CG-CZ 3.87Å; W179-F196 HydrophobicContact CG-CZ 3.87Å; W179-F196 HydrophobicContact CH2-CZ 4.14Å; W179-F196 HydrophobicContact CZ2-CZ 4.06Å; W179-F196 AromaticContact CZ3-CZ 3.94Å; W179-F196 HydrophobicContact CZ3-CZ 3.94Å; W179-Y209 HydrophobicContact CH2-CD1 4.46Å; W179-Y209 AromaticContact CZ2-CD1 3.61Å; W179-Y209 HydrophobicContact CZ2-CD1 3.61Å; W179-Y209 HydrophobicContact CZ2-CD2 4.38Å; W179-Y209 AromaticContact CZ2-CE1 3.66Å; W179-Y209 HydrophobicContact CZ2-CE1 3.66Å; W179-Y209 HydrophobicContact CZ2-CE2 4.43Å; W179-Y209 AromaticContact CZ2-CG 3.98Å; W179-Y209 HydrophobicContact CZ2-CG 3.98Å; W179-Y209 AromaticContact NE1-CD2 3.89Å; W179-Y209 AromaticContact NE1-CE1 3.91Å; W179-Y209 AromaticContact NE1-CE2 3.39Å; W179-Y209 AromaticContact NE1-CZ 3.38Å; W179-F211 AromaticContact CH2-CZ 3.97Å; W179-F211 HydrophobicContact CH2-CZ 3.97Å; W179-F211 HydrophobicContact CZ3-CZ 4.23Å
180	P	93.4	Very high	91.3	Very high	31 Å²	31	56.2 Å²	56.2	20%	0.201	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	131.5	169.9	-23.4	33.4	0	0	0	110.7	N163 C182 S183	N163-P180 VanDerWaalsContact OD1-CA 3.3Å; N163-P180 WeakPolarHBondContact OD1-CA 3.39Å; P180-C182 PolarHBondContact O-N 2.87Å; P180-S183 WeakPolarHBondContact O-CB 3.3Å; P180-S183 PolarHBondContact O-N 3.42Å
181	L	92.8	Very high	91.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-59.5	-35.1	178.2	-74.3	172.3	0	0	0	111.4	T160 E162 I164 W179 S183 L184 V223 A226 I230	T160-L181 WeakPolarHBondContact O-CD1 3.46Å; E162-L181 WeakPolarHBondContact O-CB 3.31Å; E162-L181 PolarHBondContact O-N 3.3Å; I164-L181 HydrophobicContact CD1-CD2 3.92Å; I164-L181 HydrophobicContact CG1-CD2 3.65Å; I164-L181 HydrophobicContact CG1-CG 4.44Å; W179-L181 PolarHBondContact O-N 3.09Å; L181-S183 PolarHBondContact O-N 3.34Å; L181-S183 VanDerWaalsContact O-N 3.16Å; L181-L184 HydrophobicContact CD2-CD1 3.87Å; L181-L184 WeakPolarHBondContact O-CB 3.41Å; L181-L184 WeakPolarHBondContact O-CG 3.36Å; L181-L184 PolarHBondContact O-N 2.79Å; L181-V223 HydrophobicContact CD2-CG1 4.02Å; L181-A226 HydrophobicContact CD1-CB 3.49Å; L181-A226 VanDerWaalsContact CD1-CB 3.49Å; L181-I230 HydrophobicContact CB-CD1 3.47Å; L181-I230 VanDerWaalsContact CB-CD1 3.47Å; L181-I230 HydrophobicContact CD1-CD1 3.84Å; L181-I230 HydrophobicContact CG-CD1 4.32Å
182	C	90.6	Very high	92	Very high	35 Å²	35	54.6 Å²	54.6	24%	0.236	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-67.6	-7.4	174.7	66	0	0	0	0	114.2	P180 P266	P180-C182 PolarHBondContact O-N 2.87Å; C182-P266 WeakPolarHBondContact O-CB 3.46Å; C182-P266 WeakPolarHBondContact O-CG 3.26Å
183	S	90	Very high	92.5	Very high	16 Å²	16	57.2 Å²	57.2	11%	0.112	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-102.2	-2.5	176.8	-65	0	0	0	0	112.8	P180 L181 G199 C202	P180-S183 WeakPolarHBondContact O-CB 3.3Å; P180-S183 PolarHBondContact O-N 3.42Å; L181-S183 PolarHBondContact O-N 3.34Å; L181-S183 VanDerWaalsContact O-N 3.16Å; S183-G199 WeakPolarHBondContact O-CA 3.5Å; S183-G199 PolarHBondContact O-N 3.29Å; S183-C202 WeakPolarHBondContact CB-SG 3.13Å
184	L	92.2	Very high	93	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	135.3	178	-58.3	-175.6	0	0	0	111.3	I164 L181 Y187 F196 V223	I164-L184 HydrophobicContact CD1-CD1 3.89Å; L181-L184 HydrophobicContact CD2-CD1 3.87Å; L181-L184 WeakPolarHBondContact O-CB 3.41Å; L181-L184 WeakPolarHBondContact O-CG 3.36Å; L181-L184 PolarHBondContact O-N 2.79Å; L184-Y187 HydrophobicContact CD1-CD1 4.22Å; L184-F196 HydrophobicContact CD2-CB 4.41Å; L184-F196 HydrophobicContact CD2-CD2 3.5Å; L184-F196 VanDerWaalsContact CD2-CD2 3.5Å; L184-F196 HydrophobicContact CD2-CE2 3.98Å; L184-F196 HydrophobicContact CD2-CG 4.12Å; L184-V223 HydrophobicContact CD1-CG1 4.07Å
185	R	90.8	Very high	93.3	Very high	79 Å²	79	44.7 Å²	44.7	30%	0.298	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-45.2	173.6	-69.8	175.9	177.1	163.9	7.5	111.6	E197 E206 S268	R185-E197 HydrophobicContact CB-CB 4.3Å; R185-E197 HydrophobicContact CB-CG 4.34Å; R185-E197 WeakPolarHBondContact CD-OE1 3.14Å; R185-E197 IonicContact CZ-OE1 3.37Å; R185-E197 PolarHBondContact N-O 3.19Å; R185-E197 IonicContact NE-OE1 3.18Å; R185-E197 IonicContact NH1-OE1 2.7Å; R185-E197 PolarHBondContact NH1-OE1 2.88Å; R185-E206 IonicContact CZ-OE2 3.53Å; R185-E206 IonicContact NH1-OE2 3.97Å; R185-E206 PolarHBondContact NH1-OE2 3.19Å; R185-E206 IonicContact NH2-OE2 3.43Å; R185-E206 PolarHBondContact NH2-OE2 3.07Å; R185-S268 VanDerWaalsContact O-CB 3.25Å; R185-S268 WeakPolarHBondContact O-CB 3.19Å; R185-S268 PolarHBondContact O-OG 2.84Å
186	R	92.2	Very high	93.4	Very high	112 Å²	112	39.7 Å²	39.7	42%	0.423	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	158.3	177.6	69.4	-173.8	84.2	-155.6	1.1	110.4	F196 E197 F306	R186-F196 CarbonylContact O-C 2.91Å; R186-F196 WeakPolarHBondContact O-CA 3.28Å; R186-E197 HydrophobicContact CG-CB 3.77Å; R186-E197 IonicContact CZ-OE2 3.77Å; R186-E197 IonicContact NE-OE2 3.89Å; R186-E197 PolarHBondContact NE-OE2 3.03Å; R186-E197 IonicContact NH2-OE2 2.9Å; R186-E197 PolarHBondContact NH2-OE2 3.48Å; R186-E197 PolarHBondContact O-N 2.95Å; R186-F306 HydrophobicContact CG-CD1 4.46Å; R186-F306 HydrophobicContact CG-CE1 4.48Å
187	Y	95.9	Very high	93.6	Very high	11 Å²	11	38.8 Å²	38.8	4%	0.043	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	156.9	172	52	-93.4	0	0	0	110.2	L184 T195 Y220 V223 H224 T227 Y270	L184-Y187 HydrophobicContact CD1-CD1 4.22Å; Y187-T195 CarbonylContact C-O 3.54Å; Y187-T195 VanDerWaalsContact CA-O 3.25Å; Y187-T195 WeakPolarHBondContact CA-O 3.3Å; Y187-Y220 AromaticContact CD2-CD2 3.72Å; Y187-Y220 HydrophobicContact CD2-CD2 3.72Å; Y187-Y220 AromaticContact CD2-CE2 3.56Å; Y187-Y220 HydrophobicContact CD2-CE2 3.56Å; Y187-Y220 HydrophobicContact CE2-CD2 4.08Å; Y187-Y220 AromaticContact CE2-CE2 3.62Å; Y187-Y220 HydrophobicContact CE2-CE2 3.62Å; Y187-V223 HydrophobicContact CD1-CG1 3.98Å; Y187-V223 HydrophobicContact CD2-CG1 4.1Å; Y187-V223 HydrophobicContact CE1-CG1 4.18Å; Y187-V223 HydrophobicContact CE2-CG1 4.3Å; Y187-V223 HydrophobicContact CG-CG1 3.95Å; Y187-H224 HydrophobicContact CE2-CB 3.98Å; Y187-H224 AromaticContact CE2-ND1 3.92Å; Y187-H224 AromaticContact CZ-ND1 3.84Å; Y187-H224 PolarHBondContact OH-ND1 2.9Å; Y187-T227 HydrophobicContact CE1-CG2 3.9Å; Y187-Y270 HydrophobicContact CE1-CE1 4.46Å
188	G	94.5	Very high	93.6	Very high	14 Å²	14	38.2 Å²	38.2	14%	0.144	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	172	-175.9	0	0	0	0	0	111.5	F194 T195	G188-F194 VanDerWaalsContact O-CD2 3.23Å; G188-F194 WeakPolarHBondContact O-CD2 3.28Å; G188-T195 PolarHBondContact N-O 3.33Å; G188-T195 PolarHBondContact O-N 2.87Å
189	R	95.7	Very high	93.3	Very high	102 Å²	102	38 Å²	38	39%	0.385	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	158.2	-178.9	76.9	-53.7	-171.8	-156.1	-2.5	111.5	R193 F194 G216 E217 Y220	R189-R193 CarbonylContact C-O 3.59Å; R189-R193 VanDerWaalsContact CA-O 3.25Å; R189-R193 WeakPolarHBondContact CA-O 3.04Å; R189-R193 WeakPolarHBondContact CB-O 3.4Å; R189-F194 HydrophobicContact CB-CD2 4.23Å; R189-G216 WeakPolarHBondContact CB-O 3.14Å; R189-E217 IonicContact CZ-OE2 3.43Å; R189-E217 VanDerWaalsContact CZ-OE2 3.29Å; R189-E217 IonicContact NE-OE2 2.73Å; R189-E217 PolarHBondContact NE-OE2 2.87Å; R189-E217 IonicContact NH2-OE1 3.49Å; R189-E217 IonicContact NH2-OE2 3.19Å; R189-E217 PolarHBondContact NH2-OE2 3.06Å; R189-Y220 VanDerWaalsContact CD-CG 3.45Å; R189-Y220 HydrophobicContact CG-CD2 4.41Å; R189-Y220 HydrophobicContact CG-CG 4.07Å
190	D	93.4	Very high	92.9	Very high	75 Å²	75	46.9 Å²	46.9	40%	0.401	23%	0.232	S	C	.	.			trans	-132.1	-171.1	164.4	66	48.3	0	0	0	109.5	T192 R193	D190-T192 PolarHBondContact O-N 3.27Å; D190-T192 VanDerWaalsContact O-N 3.16Å; D190-T192 WeakPolarHBondContact OD1-CA 3.43Å; D190-T192 PolarHBondContact OD1-N 3.46Å; D190-T192 PolarHBondContact OD1-OG1 3.42Å; D190-R193 PolarHBondContact N-O 3.15Å; D190-R193 PolarHBondContact OD1-N 3.17Å
191	A	91.9	Very high	92.1	Very high	90 Å²	90	51.4 Å²	51.4	74%	0.744	25%	0.252	S	S	*	.	S	Bend	trans	-65.4	-14.6	-177.9	0	0	0	0	0	114.4
192	T	93.5	Very high	91.4	Very high	75 Å²	75	51.7 Å²	51.7	46%	0.46	25%	0.254	S	S	.	.	S	Bend	trans	-130.2	-6.7	-171.8	63.4	0	0	0	0	113.7	D190 Q212 T213	D190-T192 PolarHBondContact O-N 3.27Å; D190-T192 VanDerWaalsContact O-N 3.16Å; D190-T192 WeakPolarHBondContact OD1-CA 3.43Å; D190-T192 PolarHBondContact OD1-N 3.46Å; D190-T192 PolarHBondContact OD1-OG1 3.42Å; T192-Q212 CarbonylContact O-C 3.56Å; T192-Q212 WeakPolarHBondContact O-CA 3.4Å; T192-T213 CarbonylContact C-O 3.55Å; T192-T213 VanDerWaalsContact CA-O 3.29Å; T192-T213 WeakPolarHBondContact CA-O 3.13Å; T192-T213 PolarHBondContact O-N 3.12Å
193	R	95.3	Very high	90.6	Very high	95 Å²	95	56.6 Å²	56.6	36%	0.358	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	150	-171.5	-60.9	173.2	-175.5	-127.4	-5.7	112.5	L144 R189 D190 T210 F211 T213	L144-R193 VanDerWaalsContact CD1-NH1 3.28Å; R189-R193 CarbonylContact C-O 3.59Å; R189-R193 VanDerWaalsContact CA-O 3.25Å; R189-R193 WeakPolarHBondContact CA-O 3.04Å; R189-R193 WeakPolarHBondContact CB-O 3.4Å; D190-R193 PolarHBondContact N-O 3.15Å; D190-R193 PolarHBondContact OD1-N 3.17Å; R193-T210 HydrophobicContact CB-CG2 4.5Å; R193-T210 HydrophobicContact CG-CG2 4.48Å; R193-F211 CarbonylContact C-O 3.57Å; R193-F211 WeakPolarHBondContact CA-O 3.43Å; R193-T213 PolarHBondContact N-O 3.23Å
194	F	96.7	Very high	90	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.9	161.2	174.1	-107.1	0	0	0	108.4	L157 G188 R189 F196 F211 T213 I219 V223	L157-F194 HydrophobicContact CD2-CD1 4.27Å; L157-F194 HydrophobicContact CD2-CE1 4.48Å; G188-F194 VanDerWaalsContact O-CD2 3.23Å; G188-F194 WeakPolarHBondContact O-CD2 3.28Å; R189-F194 HydrophobicContact CB-CD2 4.23Å; F194-F196 HydrophobicContact CD1-CD1 4.41Å; F194-F196 AromaticContact CE1-CD1 3.64Å; F194-F196 HydrophobicContact CE1-CD1 3.64Å; F194-F196 HydrophobicContact CE1-CE1 4.33Å; F194-F196 HydrophobicContact CZ-CD1 4.28Å; F194-F211 HydrophobicContact CD1-CD2 4.03Å; F194-F211 PolarHBondContact N-O 3.01Å; F194-F211 PolarHBondContact O-N 3.36Å; F194-T213 HydrophobicContact CB-CG2 4.24Å; F194-I219 HydrophobicContact CB-CG2 4.18Å; F194-I219 HydrophobicContact CD1-CG2 3.46Å; F194-I219 VanDerWaalsContact CD1-CG2 3.46Å; F194-I219 HydrophobicContact CD2-CB 4.34Å; F194-I219 HydrophobicContact CD2-CG2 3.73Å; F194-I219 HydrophobicContact CE1-CG2 3.64Å; F194-I219 HydrophobicContact CE2-CG2 3.94Å; F194-I219 HydrophobicContact CG-CB 4.24Å; F194-I219 HydrophobicContact CG-CG2 3.5Å; F194-I219 HydrophobicContact CZ-CG2 3.91Å; F194-V223 HydrophobicContact CE1-CG2 4.37Å; F194-V223 HydrophobicContact CE2-CG2 4.44Å; F194-V223 HydrophobicContact CZ-CB 4.26Å; F194-V223 HydrophobicContact CZ-CG1 4.41Å; F194-V223 HydrophobicContact CZ-CG2 3.76Å
195	T	96.5	Very high	89.4	Confident	16 Å²	16	57.8 Å²	57.8	10%	0.098	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	140.7	-178.2	-64.8	0	0	0	0	110.8	Y187 G188 L208 Y209 T210 F306	Y187-T195 CarbonylContact C-O 3.54Å; Y187-T195 VanDerWaalsContact CA-O 3.25Å; Y187-T195 WeakPolarHBondContact CA-O 3.3Å; G188-T195 PolarHBondContact N-O 3.33Å; G188-T195 PolarHBondContact O-N 2.87Å; T195-L208 HydrophobicContact CG2-CD1 3.52Å; T195-L208 HydrophobicContact CG2-CD2 4.49Å; T195-L208 HydrophobicContact CG2-CG 3.95Å; T195-Y209 VanDerWaalsContact CA-O 3.27Å; T195-Y209 WeakPolarHBondContact CA-O 3.45Å; T195-T210 WeakPolarHBondContact CG2-OG1 3.49Å; T195-T210 WeakPolarHBondContact OG1-CB 3.1Å; T195-T210 WeakPolarHBondContact OG1-CG2 3.36Å; T195-T210 PolarHBondContact OG1-OG1 2.9Å; T195-F306 HydrophobicContact CG2-CZ 4.24Å
196	F	95.2	Very high	89.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	154.7	170	66.8	-97.4	0	0	0	112.2	I164 W179 L184 R186 F194 A198 Y209 F211	I164-F196 HydrophobicContact CD1-CD1 4.29Å; I164-F196 HydrophobicContact CD1-CE1 4.19Å; I164-F196 HydrophobicContact CG2-CE1 4.44Å; W179-F196 HydrophobicContact CB-CE2 4.32Å; W179-F196 HydrophobicContact CB-CZ 4.46Å; W179-F196 AromaticContact CD1-CE2 3.92Å; W179-F196 AromaticContact CD2-CE2 3.88Å; W179-F196 HydrophobicContact CD2-CE2 3.88Å; W179-F196 AromaticContact CD2-CZ 3.47Å; W179-F196 HydrophobicContact CD2-CZ 3.47Å; W179-F196 VanDerWaalsContact CD2-CZ 3.47Å; W179-F196 AromaticContact CE2-CZ 3.72Å; W179-F196 HydrophobicContact CE3-CE1 4.43Å; W179-F196 HydrophobicContact CE3-CE2 4.45Å; W179-F196 AromaticContact CE3-CZ 3.62Å; W179-F196 HydrophobicContact CE3-CZ 3.62Å; W179-F196 AromaticContact CG-CE2 3.8Å; W179-F196 HydrophobicContact CG-CE2 3.8Å; W179-F196 AromaticContact CG-CZ 3.87Å; W179-F196 HydrophobicContact CG-CZ 3.87Å; W179-F196 HydrophobicContact CH2-CZ 4.14Å; W179-F196 HydrophobicContact CZ2-CZ 4.06Å; W179-F196 AromaticContact CZ3-CZ 3.94Å; W179-F196 HydrophobicContact CZ3-CZ 3.94Å; L184-F196 HydrophobicContact CD2-CB 4.41Å; L184-F196 HydrophobicContact CD2-CD2 3.5Å; L184-F196 VanDerWaalsContact CD2-CD2 3.5Å; L184-F196 HydrophobicContact CD2-CE2 3.98Å; L184-F196 HydrophobicContact CD2-CG 4.12Å; R186-F196 CarbonylContact O-C 2.91Å; R186-F196 WeakPolarHBondContact O-CA 3.28Å; F194-F196 HydrophobicContact CD1-CD1 4.41Å; F194-F196 AromaticContact CE1-CD1 3.64Å; F194-F196 HydrophobicContact CE1-CD1 3.64Å; F194-F196 HydrophobicContact CE1-CE1 4.33Å; F194-F196 HydrophobicContact CZ-CD1 4.28Å; F196-A198 HydrophobicContact CD2-CB 4.38Å; F196-A198 HydrophobicContact CE2-CB 4.19Å; F196-Y209 AromaticContact CD2-CD2 3.94Å; F196-Y209 HydrophobicContact CD2-CD2 3.94Å; F196-Y209 AromaticContact CE2-CD2 3.35Å; F196-Y209 HydrophobicContact CE2-CD2 3.35Å; F196-Y209 HydrophobicContact CE2-CE2 4.14Å; F196-Y209 AromaticContact CE2-CG 3.89Å; F196-Y209 HydrophobicContact CE2-CG 3.89Å; F196-Y209 AromaticContact CZ-CD2 3.92Å; F196-Y209 HydrophobicContact CZ-CD2 3.92Å; F196-Y209 AromaticContact CZ-CG 3.98Å; F196-Y209 HydrophobicContact CZ-CG 3.98Å; F196-Y209 PolarHBondContact N-O 3.35Å; F196-Y209 PolarHBondContact O-N 3.45Å; F196-F211 HydrophobicContact CD1-CD2 4.5Å; F196-F211 AromaticContact CD1-CE2 3.83Å; F196-F211 HydrophobicContact CD1-CE2 3.83Å; F196-F211 HydrophobicContact CE1-CD2 4.25Å; F196-F211 AromaticContact CE1-CE2 3.25Å; F196-F211 HydrophobicContact CE1-CE2 3.25Å; F196-F211 AromaticContact CE1-CZ 3.8Å; F196-F211 HydrophobicContact CE1-CZ 3.8Å; F196-F211 HydrophobicContact CZ-CE2 4.01Å; F196-F211 HydrophobicContact CZ-CZ 4.25Å
197	E	94.8	Very high	89.2	Confident	37 Å²	37	53.3 Å²	53.3	17%	0.173	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	117.4	170.8	-169.7	-165.2	157.4	0	0	108.6	R185 R186 G207 L208	R185-E197 HydrophobicContact CB-CB 4.3Å; R185-E197 HydrophobicContact CB-CG 4.34Å; R185-E197 WeakPolarHBondContact CD-OE1 3.14Å; R185-E197 IonicContact CZ-OE1 3.37Å; R185-E197 PolarHBondContact N-O 3.19Å; R185-E197 IonicContact NE-OE1 3.18Å; R185-E197 IonicContact NH1-OE1 2.7Å; R185-E197 PolarHBondContact NH1-OE1 2.88Å; R186-E197 HydrophobicContact CG-CB 3.77Å; R186-E197 IonicContact CZ-OE2 3.77Å; R186-E197 IonicContact NE-OE2 3.89Å; R186-E197 PolarHBondContact NE-OE2 3.03Å; R186-E197 IonicContact NH2-OE2 2.9Å; R186-E197 PolarHBondContact NH2-OE2 3.48Å; R186-E197 PolarHBondContact O-N 2.95Å; E197-G207 CarbonylContact C-O 3.51Å; E197-G207 VanDerWaalsContact CA-O 3.31Å; E197-G207 WeakPolarHBondContact CA-O 3.48Å; E197-L208 HydrophobicContact CB-CD1 4.21Å
198	A	92.7	Very high	89.1	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	146.7	174.8	0	0	0	0	0	111.2	F196 C202 E206 G207 Y209	F196-A198 HydrophobicContact CD2-CB 4.38Å; F196-A198 HydrophobicContact CE2-CB 4.19Å; A198-C202 HydrophobicContact CB-CB 4.37Å; A198-E206 VanDerWaalsContact O-CA 3.26Å; A198-E206 WeakPolarHBondContact O-CA 3.33Å; A198-E206 WeakPolarHBondContact O-CB 3.36Å; A198-G207 PolarHBondContact N-O 2.92Å; A198-G207 PolarHBondContact O-N 2.84Å; A198-G207 VanDerWaalsContact O-N 3.12Å; A198-Y209 HydrophobicContact CB-CD2 4.2Å; A198-Y209 HydrophobicContact CB-CE2 3.7Å
199	G	88	Confident	89.2	Confident	8 Å²	8	56.6 Å²	56.6	8%	0.082	30%	0.298	C	S	.	.			trans	-82.8	175.6	171.5	0	0	0	0	0	113.2	S183 M201 C202	S183-G199 WeakPolarHBondContact O-CA 3.5Å; S183-G199 PolarHBondContact O-N 3.29Å; G199-M201 PolarHBondContact O-N 3.41Å; G199-M201 VanDerWaalsContact O-N 3.09Å; G199-C202 PolarHBondContact O-N 3.24Å
200	R	84.6	Confident	89.2	Confident	186 Å²	186	53 Å²	53	70%	0.702	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-12	-177.3	-68.7	-176.3	-81.3	166.5	-6.2	115	C202 E206	R200-C202 VanDerWaalsContact C-N 3.31Å; R200-E206 HydrophobicContact CG-CB 3.78Å; R200-E206 VanDerWaalsContact CG-CD 3.43Å; R200-E206 HydrophobicContact CG-CG 3.89Å; R200-E206 WeakPolarHBondContact CG-OE2 3.41Å
201	M	76.4	Confident	89.3	Confident	126 Å²	126	49.4 Å²	49.4	62%	0.621	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-2.3	-178.4	-61.2	-58.6	-61.5	0	0	113.1	G199 M264	G199-M201 PolarHBondContact O-N 3.41Å; G199-M201 VanDerWaalsContact O-N 3.09Å; M201-M264 HydrophobicContact CE-SD 4.49Å
202	C	77.6	Confident	89.5	Confident	7 Å²	7	48.7 Å²	48.7	5%	0.047	25%	0.249	C	C	.	.	S	Bend	trans	-83.4	149.6	175.1	-61.5	0	0	0	0	111.2	S183 A198 G199 R200 A204 G205	S183-C202 WeakPolarHBondContact CB-SG 3.13Å; A198-C202 HydrophobicContact CB-CB 4.37Å; G199-C202 PolarHBondContact O-N 3.24Å; R200-C202 VanDerWaalsContact C-N 3.31Å; C202-A204 PolarHBondContact O-N 2.75Å; C202-G205 WeakPolarHBondContact O-CA 3.38Å; C202-G205 PolarHBondContact O-N 3.43Å
203	D	74.4	Confident	89.6	Confident	138 Å²	138	45.2 Å²	45.2	74%	0.738	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-35	179	-60.3	-33.3	0	0	0	112.7	S178 G205	S178-D203 PolarHBondContact OG-OD2 3.12Å; D203-G205 PolarHBondContact O-N 3.12Å
204	A	78.2	Confident	89.5	Confident	18 Å²	18	46.6 Å²	46.6	15%	0.149	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	4.2	175.5	0	0	0	0	0	113.7	V177 C202 Y209	V177-A204 HydrophobicContact CG2-CB 3.9Å; C202-A204 PolarHBondContact O-N 2.75Å; A204-Y209 VanDerWaalsContact CB-OH 3.26Å; A204-Y209 WeakPolarHBondContact CB-OH 3.27Å; A204-Y209 PolarHBondContact O-OH 3.39Å
205	G	79.8	Confident	89.3	Confident	25 Å²	25	49.9 Å²	49.9	26%	0.258	25%	0.254	S	S	.	.			trans	73.7	-177.7	-173.2	0	0	0	0	0	113.7	C202 D203	C202-G205 WeakPolarHBondContact O-CA 3.38Å; C202-G205 PolarHBondContact O-N 3.43Å; D203-G205 PolarHBondContact O-N 3.12Å
206	E	88	Confident	89.2	Confident	80 Å²	80	49.1 Å²	49.1	37%	0.374	25%	0.249	S	C	.	.	S	Bend	trans	-67.8	147.6	173.3	66.9	-173.2	146.7	0	0	110.8	N148 R185 A198 R200	N148-E206 PolarHBondContact ND2-O 3.42Å; R185-E206 IonicContact CZ-OE2 3.53Å; R185-E206 IonicContact NH1-OE2 3.97Å; R185-E206 PolarHBondContact NH1-OE2 3.19Å; R185-E206 IonicContact NH2-OE2 3.43Å; R185-E206 PolarHBondContact NH2-OE2 3.07Å; A198-E206 VanDerWaalsContact O-CA 3.26Å; A198-E206 WeakPolarHBondContact O-CA 3.33Å; A198-E206 WeakPolarHBondContact O-CB 3.36Å; R200-E206 HydrophobicContact CG-CB 3.78Å; R200-E206 VanDerWaalsContact CG-CD 3.43Å; R200-E206 HydrophobicContact CG-CG 3.89Å; R200-E206 WeakPolarHBondContact CG-OE2 3.41Å
207	G	91	Very high	89.2	Confident	16 Å²	16	52.5 Å²	52.5	17%	0.165	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.7	162.2	179.5	0	0	0	0	0	113.7	E197 A198 Y209	E197-G207 CarbonylContact C-O 3.51Å; E197-G207 VanDerWaalsContact CA-O 3.31Å; E197-G207 WeakPolarHBondContact CA-O 3.48Å; A198-G207 PolarHBondContact N-O 2.92Å; A198-G207 PolarHBondContact O-N 2.84Å; A198-G207 VanDerWaalsContact O-N 3.12Å; G207-Y209 WeakPolarHBondContact O-CD2 3.47Å; G207-Y209 WeakPolarHBondContact O-CE2 3.25Å
208	L	93.8	Very high	89.2	Confident	94 Å²	94	54.9 Å²	54.9	49%	0.492	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	123.4	172.9	-172.1	72.9	0	0	0	109.1	T195 E197	T195-L208 HydrophobicContact CG2-CD1 3.52Å; T195-L208 HydrophobicContact CG2-CD2 4.49Å; T195-L208 HydrophobicContact CG2-CG 3.95Å; E197-L208 HydrophobicContact CB-CD1 4.21Å
209	Y	95	Very high	89.4	Confident	1 Å²	1	54.9 Å²	54.9	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.1	-179.4	-58.3	-86.7	0	0	0	109.1	L149 W179 T195 F196 A198 A204 G207	L149-Y209 HydrophobicContact CB-CE1 4.2Å; L149-Y209 HydrophobicContact CD2-CD1 4.32Å; L149-Y209 HydrophobicContact CD2-CE1 3.97Å; W179-Y209 HydrophobicContact CH2-CD1 4.46Å; W179-Y209 AromaticContact CZ2-CD1 3.61Å; W179-Y209 HydrophobicContact CZ2-CD1 3.61Å; W179-Y209 HydrophobicContact CZ2-CD2 4.38Å; W179-Y209 AromaticContact CZ2-CE1 3.66Å; W179-Y209 HydrophobicContact CZ2-CE1 3.66Å; W179-Y209 HydrophobicContact CZ2-CE2 4.43Å; W179-Y209 AromaticContact CZ2-CG 3.98Å; W179-Y209 HydrophobicContact CZ2-CG 3.98Å; W179-Y209 AromaticContact NE1-CD2 3.89Å; W179-Y209 AromaticContact NE1-CE1 3.91Å; W179-Y209 AromaticContact NE1-CE2 3.39Å; W179-Y209 AromaticContact NE1-CZ 3.38Å; T195-Y209 VanDerWaalsContact CA-O 3.27Å; T195-Y209 WeakPolarHBondContact CA-O 3.45Å; F196-Y209 AromaticContact CD2-CD2 3.94Å; F196-Y209 HydrophobicContact CD2-CD2 3.94Å; F196-Y209 AromaticContact CE2-CD2 3.35Å; F196-Y209 HydrophobicContact CE2-CD2 3.35Å; F196-Y209 HydrophobicContact CE2-CE2 4.14Å; F196-Y209 AromaticContact CE2-CG 3.89Å; F196-Y209 HydrophobicContact CE2-CG 3.89Å; F196-Y209 AromaticContact CZ-CD2 3.92Å; F196-Y209 HydrophobicContact CZ-CD2 3.92Å; F196-Y209 AromaticContact CZ-CG 3.98Å; F196-Y209 HydrophobicContact CZ-CG 3.98Å; F196-Y209 PolarHBondContact N-O 3.35Å; F196-Y209 PolarHBondContact O-N 3.45Å; A198-Y209 HydrophobicContact CB-CD2 4.2Å; A198-Y209 HydrophobicContact CB-CE2 3.7Å; A204-Y209 VanDerWaalsContact CB-OH 3.26Å; A204-Y209 WeakPolarHBondContact CB-OH 3.27Å; A204-Y209 PolarHBondContact O-OH 3.39Å; G207-Y209 WeakPolarHBondContact O-CD2 3.47Å; G207-Y209 WeakPolarHBondContact O-CE2 3.25Å
210	T	95.9	Very high	89.8	Confident	25 Å²	25	55.6 Å²	55.6	15%	0.153	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128	179.9	-64.2	0	0	0	0	110.2	L144 R193 T195	L144-T210 HydrophobicContact CD1-CG2 3.47Å; L144-T210 VanDerWaalsContact CD1-CG2 3.47Å; L144-T210 HydrophobicContact CG-CG2 4.18Å; L144-T210 PolarHBondContact N-O 2.91Å; R193-T210 HydrophobicContact CB-CG2 4.5Å; R193-T210 HydrophobicContact CG-CG2 4.48Å; T195-T210 WeakPolarHBondContact CG2-OG1 3.49Å; T195-T210 WeakPolarHBondContact OG1-CB 3.1Å; T195-T210 WeakPolarHBondContact OG1-CG2 3.36Å; T195-T210 PolarHBondContact OG1-OG1 2.9Å
211	F	96.6	Very high	90.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	120.8	-180	-60.1	-88.5	0	0	0	108.4	V141 F142 L143 L157 L166 W179 R193 F194 F196	V141-F211 HydrophobicContact CB-CB 4.1Å; V141-F211 HydrophobicContact CB-CD1 4.06Å; V141-F211 HydrophobicContact CB-CG 4.49Å; V141-F211 HydrophobicContact CG1-CB 4.38Å; V141-F211 HydrophobicContact CG2-CD1 3.61Å; V141-F211 HydrophobicContact CG2-CE1 4.3Å; V141-F211 HydrophobicContact CG2-CG 4.46Å; F142-F211 CarbonylContact O-C 3.58Å; F142-F211 WeakPolarHBondContact O-CA 3.4Å; L143-F211 HydrophobicContact CB-CD1 4.14Å; L143-F211 HydrophobicContact CB-CE1 4.05Å; L143-F211 HydrophobicContact CD1-CD1 4.16Å; L143-F211 HydrophobicContact CD1-CE1 3.72Å; L143-F211 HydrophobicContact CD1-CE2 4.46Å; L143-F211 HydrophobicContact CD1-CZ 3.89Å; L143-F211 HydrophobicContact CG-CE1 4.32Å; L157-F211 HydrophobicContact CD1-CE1 4.08Å; L157-F211 HydrophobicContact CD1-CZ 4.19Å; L166-F211 HydrophobicContact CD1-CD1 4.46Å; L166-F211 HydrophobicContact CD1-CE1 3.69Å; W179-F211 AromaticContact CH2-CZ 3.97Å; W179-F211 HydrophobicContact CH2-CZ 3.97Å; W179-F211 HydrophobicContact CZ3-CZ 4.23Å; R193-F211 CarbonylContact C-O 3.57Å; R193-F211 WeakPolarHBondContact CA-O 3.43Å; F194-F211 HydrophobicContact CD1-CD2 4.03Å; F194-F211 PolarHBondContact N-O 3.01Å; F194-F211 PolarHBondContact O-N 3.36Å; F196-F211 HydrophobicContact CD1-CD2 4.5Å; F196-F211 AromaticContact CD1-CE2 3.83Å; F196-F211 HydrophobicContact CD1-CE2 3.83Å; F196-F211 HydrophobicContact CE1-CD2 4.25Å; F196-F211 AromaticContact CE1-CE2 3.25Å; F196-F211 HydrophobicContact CE1-CE2 3.25Å; F196-F211 AromaticContact CE1-CZ 3.8Å; F196-F211 HydrophobicContact CE1-CZ 3.8Å; F196-F211 HydrophobicContact CZ-CE2 4.01Å; F196-F211 HydrophobicContact CZ-CZ 4.25Å
212	Q	96.1	Very high	91.2	Very high	76 Å²	76	49.9 Å²	49.9	36%	0.355	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	129.8	167.1	176.7	175.6	-13.7	0	0	109.1	S36 F142 T192	S36-Q212 WeakPolarHBondContact CB-O 3.5Å; F142-Q212 HydrophobicContact CB-CB 4.21Å; F142-Q212 PolarHBondContact N-O 3.03Å; F142-Q212 PolarHBondContact O-N 2.73Å; T192-Q212 CarbonylContact O-C 3.56Å; T192-Q212 WeakPolarHBondContact O-CA 3.4Å
213	T	95.3	Very high	92.1	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.012	25%	0.25	C	S	.	.			trans	-169.6	147.4	-175.7	-179.5	0	0	0	0	110.8	N140 V141 T192 R193 F194 E215 I219	N140-T213 PolarHBondContact O-OG1 3.06Å; V141-T213 HydrophobicContact CG1-CG2 4.36Å; T192-T213 CarbonylContact C-O 3.55Å; T192-T213 VanDerWaalsContact CA-O 3.29Å; T192-T213 WeakPolarHBondContact CA-O 3.13Å; T192-T213 PolarHBondContact O-N 3.12Å; R193-T213 PolarHBondContact N-O 3.23Å; F194-T213 HydrophobicContact CB-CG2 4.24Å; T213-E215 VanDerWaalsContact C-N 3.3Å; T213-E215 PolarHBondContact OG1-N 3.44Å; T213-I219 HydrophobicContact CG2-CD1 3.7Å
214	Q	92	Very high	93.1	Very high	124 Å²	124	45.4 Å²	45.4	58%	0.579	23%	0.226	S	C	*	.	S	Bend	trans	-81.5	-12.8	169.8	-66	-174.2	-11.1	0	0	112.7	K37 G216	K37-Q214 PolarHBondContact O-NE2 3.34Å; Q214-G216 VanDerWaalsContact C-N 3.31Å; Q214-G216 PolarHBondContact O-N 3.42Å
215	E	93.8	Very high	93.8	Very high	69 Å²	69	48.2 Å²	48.2	32%	0.322	24%	0.244	S	C	.	.			trans	-96.1	19.9	-175.4	-59.5	-178.9	102.9	0	0	111.9	F139 T213 E217 Q218 I219	F139-E215 HydrophobicContact CD1-CB 3.73Å; F139-E215 HydrophobicContact CD1-CG 4.3Å; F139-E215 HydrophobicContact CE1-CB 4.21Å; T213-E215 VanDerWaalsContact C-N 3.3Å; T213-E215 PolarHBondContact OG1-N 3.44Å; E215-E217 VanDerWaalsContact C-N 3.28Å; E215-E217 PolarHBondContact O-N 3.11Å; E215-Q218 VanDerWaalsContact CA-OE1 3.31Å; E215-Q218 VanDerWaalsContact CB-OE1 3.23Å; E215-Q218 PolarHBondContact O-N 2.97Å; E215-Q218 VanDerWaalsContact O-N 3.07Å; E215-I219 HydrophobicContact CB-CD1 4.37Å; E215-I219 WeakPolarHBondContact O-CG1 3.28Å; E215-I219 PolarHBondContact O-N 3.43Å
216	G	94.6	Very high	94.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.9	-36	-172.1	0	0	0	0	0	114	R189 Q214 Y220	R189-G216 WeakPolarHBondContact CB-O 3.14Å; Q214-G216 VanDerWaalsContact C-N 3.31Å; Q214-G216 PolarHBondContact O-N 3.42Å; G216-Y220 WeakPolarHBondContact O-CB 3.38Å; G216-Y220 PolarHBondContact O-N 3.45Å
217	E	95.1	Very high	94.8	Very high	70 Å²	70	43.8 Å²	43.8	33%	0.327	22%	0.219	S	C	.	.	H	α-helix	trans	-67.7	-44.2	175.2	-178	59	-155.1	0	0	112.3	R189 E215 I219 Y220 Q221	R189-E217 IonicContact CZ-OE2 3.43Å; R189-E217 VanDerWaalsContact CZ-OE2 3.29Å; R189-E217 IonicContact NE-OE2 2.73Å; R189-E217 PolarHBondContact NE-OE2 2.87Å; R189-E217 IonicContact NH2-OE1 3.49Å; R189-E217 IonicContact NH2-OE2 3.19Å; R189-E217 PolarHBondContact NH2-OE2 3.06Å; E215-E217 VanDerWaalsContact C-N 3.28Å; E215-E217 PolarHBondContact O-N 3.11Å; E217-I219 PolarHBondContact O-N 2.85Å; E217-Y220 PolarHBondContact O-N 2.71Å; E217-Q221 VanDerWaalsContact O-CG 3.31Å; E217-Q221 WeakPolarHBondContact O-CG 3.27Å; E217-Q221 PolarHBondContact O-N 3.07Å; E217-Q221 PolarHBondContact OE1-NE2 3.1Å
218	Q	94.8	Very high	94.8	Very high	88 Å²	88	45.5 Å²	45.5	41%	0.411	22%	0.224	S	C	.	.	H	α-helix	trans	-65.6	-41.5	178.3	-65.1	102.8	49.6	0	0	111.2	F139 E215 Q221 R222	F139-Q218 HydrophobicContact CE1-CB 3.81Å; F139-Q218 HydrophobicContact CZ-CB 4.11Å; E215-Q218 VanDerWaalsContact CA-OE1 3.31Å; E215-Q218 VanDerWaalsContact CB-OE1 3.23Å; E215-Q218 PolarHBondContact O-N 2.97Å; E215-Q218 VanDerWaalsContact O-N 3.07Å; Q218-Q221 PolarHBondContact O-N 3.13Å; Q218-R222 WeakPolarHBondContact O-CG 3.29Å; Q218-R222 PolarHBondContact O-N 2.89Å
219	I	96.6	Very high	94.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.3	-48.3	175.5	-66.3	161.9	0	0	0	110.2	F139 V141 L157 I159 F194 T213 E215 E217 Q221 R222 V223	F139-I219 HydrophobicContact CB-CD1 3.88Å; F139-I219 HydrophobicContact CB-CG1 4.04Å; F139-I219 HydrophobicContact CD1-CD1 4.25Å; F139-I219 HydrophobicContact CD1-CG1 3.77Å; F139-I219 HydrophobicContact CD2-CD1 4.34Å; F139-I219 HydrophobicContact CD2-CG1 3.57Å; F139-I219 HydrophobicContact CE1-CG1 4.04Å; F139-I219 HydrophobicContact CE2-CG1 3.86Å; F139-I219 HydrophobicContact CG-CD1 3.9Å; F139-I219 HydrophobicContact CG-CG1 3.5Å; F139-I219 VanDerWaalsContact CG-CG1 3.5Å; F139-I219 HydrophobicContact CZ-CG1 4.06Å; V141-I219 HydrophobicContact CG1-CD1 3.98Å; L157-I219 HydrophobicContact CD2-CD1 4.15Å; L157-I219 HydrophobicContact CD2-CG1 4.36Å; L157-I219 HydrophobicContact CD2-CG2 3.64Å; I159-I219 HydrophobicContact CD1-CG2 4.09Å; F194-I219 HydrophobicContact CB-CG2 4.18Å; F194-I219 HydrophobicContact CD1-CG2 3.46Å; F194-I219 VanDerWaalsContact CD1-CG2 3.46Å; F194-I219 HydrophobicContact CD2-CB 4.34Å; F194-I219 HydrophobicContact CD2-CG2 3.73Å; F194-I219 HydrophobicContact CE1-CG2 3.64Å; F194-I219 HydrophobicContact CE2-CG2 3.94Å; F194-I219 HydrophobicContact CG-CB 4.24Å; F194-I219 HydrophobicContact CG-CG2 3.5Å; F194-I219 HydrophobicContact CZ-CG2 3.91Å; T213-I219 HydrophobicContact CG2-CD1 3.7Å; E215-I219 HydrophobicContact CB-CD1 4.37Å; E215-I219 WeakPolarHBondContact O-CG1 3.28Å; E215-I219 PolarHBondContact O-N 3.43Å; E217-I219 PolarHBondContact O-N 2.85Å; I219-Q221 VanDerWaalsContact C-N 3.34Å; I219-Q221 PolarHBondContact O-N 3.44Å; I219-R222 PolarHBondContact O-N 3.45Å; I219-V223 HydrophobicContact CG2-CG2 4.44Å; I219-V223 WeakPolarHBondContact O-CG2 3.22Å; I219-V223 PolarHBondContact O-N 2.89Å
220	Y	96.3	Very high	94.5	Very high	22 Å²	22	44.5 Å²	44.5	9%	0.086	23%	0.227	C	C	.	.	H	α-helix	trans	-56.4	-47.5	177.2	173.6	-92.2	0	0	0	111.8	Y187 R189 G216 E217 R222 V223 H224	Y187-Y220 AromaticContact CD2-CD2 3.72Å; Y187-Y220 HydrophobicContact CD2-CD2 3.72Å; Y187-Y220 AromaticContact CD2-CE2 3.56Å; Y187-Y220 HydrophobicContact CD2-CE2 3.56Å; Y187-Y220 HydrophobicContact CE2-CD2 4.08Å; Y187-Y220 AromaticContact CE2-CE2 3.62Å; Y187-Y220 HydrophobicContact CE2-CE2 3.62Å; R189-Y220 VanDerWaalsContact CD-CG 3.45Å; R189-Y220 HydrophobicContact CG-CD2 4.41Å; R189-Y220 HydrophobicContact CG-CG 4.07Å; G216-Y220 WeakPolarHBondContact O-CB 3.38Å; G216-Y220 PolarHBondContact O-N 3.45Å; E217-Y220 PolarHBondContact O-N 2.71Å; Y220-R222 VanDerWaalsContact C-N 3.34Å; Y220-R222 PolarHBondContact O-N 2.8Å; Y220-V223 PolarHBondContact O-N 3.25Å; Y220-H224 HydrophobicContact CE1-CB 4.26Å; Y220-H224 WeakPolarHBondContact O-CB 3.26Å; Y220-H224 PolarHBondContact O-N 3.46Å
221	Q	95	Very high	94	Very high	107 Å²	107	44 Å²	44	50%	0.5	23%	0.225	S	C	.	.	H	α-helix	trans	-60.8	-42.4	179.9	-72.3	173.5	3	0	0	112	E217 Q218 I219 H224 S225	E217-Q221 VanDerWaalsContact O-CG 3.31Å; E217-Q221 WeakPolarHBondContact O-CG 3.27Å; E217-Q221 PolarHBondContact O-N 3.07Å; E217-Q221 PolarHBondContact OE1-NE2 3.1Å; Q218-Q221 PolarHBondContact O-N 3.13Å; I219-Q221 VanDerWaalsContact C-N 3.34Å; I219-Q221 PolarHBondContact O-N 3.44Å; Q221-H224 PolarHBondContact O-N 2.82Å; Q221-S225 VanDerWaalsContact O-CB 3.29Å; Q221-S225 WeakPolarHBondContact O-CB 3.32Å; Q221-S225 PolarHBondContact O-N 2.93Å
222	R	95.6	Very high	93.7	Very high	86 Å²	86	47.1 Å²	47.1	33%	0.325	24%	0.24	S	C	.	.	H	α-helix	trans	-65.1	-46.8	177	-71	-167.9	-171.5	-173.8	-3.8	112.6	D137 F139 I159 Q218 I219 Y220 H224 S225 A226	D137-R222 VanDerWaalsContact CG-NH1 3.26Å; D137-R222 PolarHBondContact O-NH1 2.82Å; D137-R222 IonicContact OD1-CZ 3.46Å; D137-R222 IonicContact OD1-NH1 3.4Å; D137-R222 PolarHBondContact OD1-NH1 2.98Å; D137-R222 IonicContact OD1-NH2 2.74Å; D137-R222 PolarHBondContact OD1-NH2 2.82Å; D137-R222 IonicContact OD2-NH1 3.09Å; F139-R222 VanDerWaalsContact CE2-NH1 3.31Å; I159-R222 HydrophobicContact CB-CB 4.26Å; I159-R222 HydrophobicContact CG2-CB 4.19Å; Q218-R222 WeakPolarHBondContact O-CG 3.29Å; Q218-R222 PolarHBondContact O-N 2.89Å; I219-R222 PolarHBondContact O-N 3.45Å; Y220-R222 VanDerWaalsContact C-N 3.34Å; Y220-R222 PolarHBondContact O-N 2.8Å; R222-H224 VanDerWaalsContact C-N 3.33Å; R222-H224 PolarHBondContact O-N 2.8Å; R222-S225 PolarHBondContact O-N 3.49Å; R222-A226 WeakPolarHBondContact O-CB 3.11Å; R222-A226 PolarHBondContact O-N 2.65Å
223	V	96	Very high	93.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-46.8	176	173.1	0	0	0	0	110	I159 I164 L181 L184 Y187 F194 I219 Y220 S225 A226 T227	I159-V223 HydrophobicContact CG1-CG2 3.79Å; I159-V223 HydrophobicContact CG2-CG2 3.99Å; I164-V223 HydrophobicContact CD1-CG1 4.38Å; I164-V223 HydrophobicContact CD1-CG2 3.87Å; I164-V223 HydrophobicContact CG1-CG2 4.4Å; L181-V223 HydrophobicContact CD2-CG1 4.02Å; L184-V223 HydrophobicContact CD1-CG1 4.07Å; Y187-V223 HydrophobicContact CD1-CG1 3.98Å; Y187-V223 HydrophobicContact CD2-CG1 4.1Å; Y187-V223 HydrophobicContact CE1-CG1 4.18Å; Y187-V223 HydrophobicContact CE2-CG1 4.3Å; Y187-V223 HydrophobicContact CG-CG1 3.95Å; F194-V223 HydrophobicContact CE1-CG2 4.37Å; F194-V223 HydrophobicContact CE2-CG2 4.44Å; F194-V223 HydrophobicContact CZ-CB 4.26Å; F194-V223 HydrophobicContact CZ-CG1 4.41Å; F194-V223 HydrophobicContact CZ-CG2 3.76Å; I219-V223 HydrophobicContact CG2-CG2 4.44Å; I219-V223 WeakPolarHBondContact O-CG2 3.22Å; I219-V223 PolarHBondContact O-N 2.89Å; Y220-V223 PolarHBondContact O-N 3.25Å; V223-S225 PolarHBondContact O-N 3.02Å; V223-A226 PolarHBondContact O-N 2.88Å; V223-T227 WeakPolarHBondContact O-CB 3.37Å; V223-T227 PolarHBondContact O-N 2.81Å; V223-T227 PolarHBondContact O-OG1 3.41Å
224	H	94.9	Very high	92.7	Very high	50 Å²	50	52.3 Å²	52.3	23%	0.231	26%	0.264	C	S	.	.	H	α-helix	trans	-61.2	-46.5	-179.1	-172.7	60	0	0	0	112.1	Y187 Y220 Q221 R222 T227 L228	Y187-H224 HydrophobicContact CE2-CB 3.98Å; Y187-H224 AromaticContact CE2-ND1 3.92Å; Y187-H224 AromaticContact CZ-ND1 3.84Å; Y187-H224 PolarHBondContact OH-ND1 2.9Å; Y220-H224 HydrophobicContact CE1-CB 4.26Å; Y220-H224 WeakPolarHBondContact O-CB 3.26Å; Y220-H224 PolarHBondContact O-N 3.46Å; Q221-H224 PolarHBondContact O-N 2.82Å; R222-H224 VanDerWaalsContact C-N 3.33Å; R222-H224 PolarHBondContact O-N 2.8Å; H224-T227 PolarHBondContact O-N 3.08Å; H224-L228 WeakPolarHBondContact NE2-CD1 3.31Å; H224-L228 WeakPolarHBondContact O-CB 3.42Å; H224-L228 WeakPolarHBondContact O-CG 3.48Å; H224-L228 PolarHBondContact O-N 2.97Å
225	S	93.6	Very high	92.4	Very high	77 Å²	77	51.6 Å²	51.6	54%	0.538	26%	0.259	S	S	.	.	H	α-helix	trans	-63.2	-46	177.9	-172	0	0	0	0	112.4	Q221 R222 V223 L228 A229	Q221-S225 VanDerWaalsContact O-CB 3.29Å; Q221-S225 WeakPolarHBondContact O-CB 3.32Å; Q221-S225 PolarHBondContact O-N 2.93Å; R222-S225 PolarHBondContact O-N 3.49Å; V223-S225 PolarHBondContact O-N 3.02Å; S225-L228 WeakPolarHBondContact O-CB 3.35Å; S225-L228 PolarHBondContact O-N 3.39Å; S225-A229 PolarHBondContact O-N 2.76Å
226	A	94.8	Very high	92.1	Very high	12 Å²	12	55.2 Å²	55.2	10%	0.099	27%	0.27	C	S	.	.	H	α-helix	trans	-66.3	-42	179.1	0	0	0	0	0	111.6	L181 R222 V223 L228 A229 I230	L181-A226 HydrophobicContact CD1-CB 3.49Å; L181-A226 VanDerWaalsContact CD1-CB 3.49Å; R222-A226 WeakPolarHBondContact O-CB 3.11Å; R222-A226 PolarHBondContact O-N 2.65Å; V223-A226 PolarHBondContact O-N 2.88Å; A226-L228 PolarHBondContact O-N 2.94Å; A226-A229 PolarHBondContact O-N 3.25Å; A226-I230 WeakPolarHBondContact O-CG1 3.48Å; A226-I230 PolarHBondContact O-N 2.86Å
227	T	93.1	Very high	91.7	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57.6	-47.9	173.8	-63.2	0	0	0	0	111.1	Y187 V223 H224 A229 I230 A231 W271 I274	Y187-T227 HydrophobicContact CE1-CG2 3.9Å; V223-T227 WeakPolarHBondContact O-CB 3.37Å; V223-T227 PolarHBondContact O-N 2.81Å; V223-T227 PolarHBondContact O-OG1 3.41Å; H224-T227 PolarHBondContact O-N 3.08Å; T227-A229 PolarHBondContact O-N 2.88Å; T227-I230 PolarHBondContact O-N 3.33Å; T227-A231 PolarHBondContact O-N 2.85Å; T227-A231 VanDerWaalsContact O-N 3.08Å; T227-W271 HydrophobicContact CG2-CE3 4.13Å; T227-W271 HydrophobicContact CG2-CH2 3.04Å; T227-W271 HydrophobicContact CG2-CZ2 3.66Å; T227-W271 HydrophobicContact CG2-CZ3 3.27Å; T227-W271 WeakPolarHBondContact O-CZ3 3.34Å; T227-I274 HydrophobicContact CG2-CD1 4.18Å
228	L	91.1	Very high	91.1	Very high	53 Å²	53	58.8 Å²	58.8	28%	0.277	29%	0.293	S	S	.	.	H	α-helix	trans	-58	-44.7	175.2	-91.5	165.6	0	0	0	112.6	H224 S225 A226 I230 A231 E232 I274	H224-L228 WeakPolarHBondContact NE2-CD1 3.31Å; H224-L228 WeakPolarHBondContact O-CB 3.42Å; H224-L228 WeakPolarHBondContact O-CG 3.48Å; H224-L228 PolarHBondContact O-N 2.97Å; S225-L228 WeakPolarHBondContact O-CB 3.35Å; S225-L228 PolarHBondContact O-N 3.39Å; A226-L228 PolarHBondContact O-N 2.94Å; L228-I230 PolarHBondContact O-N 2.91Å; L228-A231 PolarHBondContact O-N 3.48Å; L228-E232 PolarHBondContact O-N 2.92Å; L228-I274 HydrophobicContact CD1-CG2 4.36Å; L228-I274 HydrophobicContact CD2-CG2 3.13Å; L228-I274 HydrophobicContact CG-CG2 3.45Å; L228-I274 VanDerWaalsContact CG-CG2 3.45Å
229	A	92.4	Very high	90.7	Very high	56 Å²	56	59.2 Å²	59.2	46%	0.463	30%	0.298	S	S	.	.	H	α-helix	trans	-61.9	-42.9	179	0	0	0	0	0	112	S225 A226 T227 A231 E232 Q233	S225-A229 PolarHBondContact O-N 2.76Å; A226-A229 PolarHBondContact O-N 3.25Å; T227-A229 PolarHBondContact O-N 2.88Å; A229-A231 PolarHBondContact O-N 3.48Å; A229-E232 PolarHBondContact O-N 3.24Å; A229-Q233 WeakPolarHBondContact O-CB 3.36Å; A229-Q233 PolarHBondContact O-N 3.13Å
230	I	91.1	Very high	90.2	Very high	17 Å²	17	65 Å²	65	9%	0.087	33%	0.325	C	S	.	.	H	α-helix	trans	-60.2	-46	174.8	-65.8	164.7	0	0	0	110.7	H161 L181 A226 T227 L228 E232 Q233 H234	H161-I230 WeakPolarHBondContact O-CD1 3.25Å; L181-I230 HydrophobicContact CB-CD1 3.47Å; L181-I230 VanDerWaalsContact CB-CD1 3.47Å; L181-I230 HydrophobicContact CD1-CD1 3.84Å; L181-I230 HydrophobicContact CG-CD1 4.32Å; A226-I230 WeakPolarHBondContact O-CG1 3.48Å; A226-I230 PolarHBondContact O-N 2.86Å; T227-I230 PolarHBondContact O-N 3.33Å; L228-I230 PolarHBondContact O-N 2.91Å; I230-E232 PolarHBondContact O-N 2.67Å; I230-Q233 PolarHBondContact O-N 3.33Å; I230-H234 WeakPolarHBondContact O-CB 3.44Å; I230-H234 PolarHBondContact O-CD2 3.49Å; I230-H234 VanDerWaalsContact O-CD2 3.31Å; I230-H234 PolarHBondContact O-N 3.18Å
231	A	85.9	Confident	89.6	Confident	14 Å²	14	68.1 Å²	68.1	12%	0.116	34%	0.341	C	S	.	.	H	α-helix	trans	-61.3	-44	179.5	0	0	0	0	0	112.5	T227 L228 A229 H234 K235 W271 T275	T227-A231 PolarHBondContact O-N 2.85Å; T227-A231 VanDerWaalsContact O-N 3.08Å; L228-A231 PolarHBondContact O-N 3.48Å; A229-A231 PolarHBondContact O-N 3.48Å; A231-H234 PolarHBondContact O-N 2.95Å; A231-K235 WeakPolarHBondContact O-CB 3.41Å; A231-K235 PolarHBondContact O-N 2.93Å; A231-W271 HydrophobicContact CB-CE3 3.88Å; A231-W271 HydrophobicContact CB-CZ3 3.79Å; A231-T275 HydrophobicContact CB-CG2 3.81Å
232	E	89.3	Confident	89	Confident	66 Å²	66	67.9 Å²	67.9	31%	0.308	34%	0.34	S	S	.	.	H	α-helix	trans	-65.9	-41.3	179.5	178.3	55.5	-158.4	0	0	111.5	L228 A229 I230 K235 R236	L228-E232 PolarHBondContact O-N 2.92Å; A229-E232 PolarHBondContact O-N 3.24Å; I230-E232 PolarHBondContact O-N 2.67Å; E232-K235 PolarHBondContact O-N 2.83Å; E232-R236 WeakPolarHBondContact O-CG 3.38Å; E232-R236 PolarHBondContact O-N 2.93Å; E232-R236 IonicContact OE1-CZ 3.12Å; E232-R236 IonicContact OE1-NE 2.75Å; E232-R236 PolarHBondContact OE1-NE 2.9Å; E232-R236 IonicContact OE1-NH2 3.71Å; E232-R236 PolarHBondContact OE1-NH2 3.03Å; E232-R236 VanDerWaalsContact OE1-NH2 3.09Å
233	Q	87.8	Confident	88.5	Confident	124 Å²	124	70.6 Å²	70.6	58%	0.579	35%	0.354	S	S	*	.	H	α-helix	trans	-62	-45.6	174	-176.3	177.2	-8.4	0	0	111.6	A229 I230 K235 R236 V237	A229-Q233 WeakPolarHBondContact O-CB 3.36Å; A229-Q233 PolarHBondContact O-N 3.13Å; I230-Q233 PolarHBondContact O-N 3.33Å; Q233-K235 VanDerWaalsContact C-N 3.32Å; Q233-K235 PolarHBondContact O-N 3.12Å; Q233-R236 PolarHBondContact O-N 2.86Å; Q233-V237 WeakPolarHBondContact O-CG2 3.36Å; Q233-V237 PolarHBondContact O-N 3.31Å
234	H	82.7	Confident	87.8	Confident	63 Å²	63	74.8 Å²	74.8	29%	0.292	38%	0.377	S	S	.	.	H	α-helix	trans	-60.5	-41.5	176.8	-74.9	-164.1	0	0	0	111.8	I230 A231 V237 L238 L265	I230-H234 WeakPolarHBondContact O-CB 3.44Å; I230-H234 PolarHBondContact O-CD2 3.49Å; I230-H234 VanDerWaalsContact O-CD2 3.31Å; I230-H234 PolarHBondContact O-N 3.18Å; A231-H234 PolarHBondContact O-N 2.95Å; H234-V237 PolarHBondContact O-N 3.5Å; H234-L238 WeakPolarHBondContact O-CG 3.45Å; H234-L238 PolarHBondContact O-N 2.65Å; H234-L265 HydrophobicContact CB-CD2 4.35Å
235	K	85.4	Confident	87.1	Confident	110 Å²	110	76.3 Å²	76.3	48%	0.478	39%	0.389	S	S	.	.	H	α-helix	trans	-61.4	-43.9	176.3	-176.1	-178.2	177.9	-175.1	0	111.9	A231 E232 Q233 L238 L239	A231-K235 WeakPolarHBondContact O-CB 3.41Å; A231-K235 PolarHBondContact O-N 2.93Å; E232-K235 PolarHBondContact O-N 2.83Å; Q233-K235 VanDerWaalsContact C-N 3.32Å; Q233-K235 PolarHBondContact O-N 3.12Å; K235-L238 PolarHBondContact O-N 2.98Å; K235-L239 HydrophobicContact CG-CD1 4.23Å; K235-L239 WeakPolarHBondContact O-CG 3.24Å; K235-L239 PolarHBondContact O-N 3.18Å
236	R	87	Confident	86.2	Confident	145 Å²	145	81.1 Å²	81.1	55%	0.547	40%	0.396	S	S	.	.	H	α-helix	trans	-61.7	-47	176.7	-70.4	175.6	-166.2	174.7	3.6	111.9	E232 Q233 L238 L239 E240	E232-R236 WeakPolarHBondContact O-CG 3.38Å; E232-R236 PolarHBondContact O-N 2.93Å; E232-R236 IonicContact OE1-CZ 3.12Å; E232-R236 IonicContact OE1-NE 2.75Å; E232-R236 PolarHBondContact OE1-NE 2.9Å; E232-R236 IonicContact OE1-NH2 3.71Å; E232-R236 PolarHBondContact OE1-NH2 3.03Å; E232-R236 VanDerWaalsContact OE1-NH2 3.09Å; Q233-R236 PolarHBondContact O-N 2.86Å; R236-L238 VanDerWaalsContact C-N 3.32Å; R236-L238 PolarHBondContact O-N 2.84Å; R236-L239 PolarHBondContact O-N 3.44Å; R236-E240 WeakPolarHBondContact O-CG 3.44Å; R236-E240 PolarHBondContact O-N 2.9Å
237	V	86.2	Confident	85.3	Confident	77 Å²	77	85.4 Å²	85.4	47%	0.467	42%	0.417	S	S	.	.	H	α-helix	trans	-60.8	-41.3	178.1	172.7	0	0	0	0	111.4	Q233 H234 E240 M241	Q233-V237 WeakPolarHBondContact O-CG2 3.36Å; Q233-V237 PolarHBondContact O-N 3.31Å; H234-V237 PolarHBondContact O-N 3.5Å; V237-E240 PolarHBondContact O-N 3.37Å; V237-M241 WeakPolarHBondContact O-CB 3.39Å; V237-M241 PolarHBondContact O-N 3.35Å
238	L	83.5	Confident	84.1	Confident	67 Å²	67	92.2 Å²	92.2	35%	0.351	45%	0.452	S	S	.	.	H	α-helix	trans	-62.3	-45.9	175.5	-74.7	171.6	0	0	0	112	H234 K235 R236 E240 M241 E242	H234-L238 WeakPolarHBondContact O-CG 3.45Å; H234-L238 PolarHBondContact O-N 2.65Å; K235-L238 PolarHBondContact O-N 2.98Å; R236-L238 VanDerWaalsContact C-N 3.32Å; R236-L238 PolarHBondContact O-N 2.84Å; L238-E240 PolarHBondContact O-N 3.24Å; L238-M241 HydrophobicContact CD2-CE 4.21Å; L238-M241 PolarHBondContact O-N 3.26Å; L238-E242 WeakPolarHBondContact O-CG 3.46Å; L238-E242 PolarHBondContact O-N 3.05Å
239	L	86.2	Confident	82.6	Confident	97 Å²	97	94.5 Å²	94.5	51%	0.508	46%	0.464	S	S	.	.	H	α-helix	trans	-64	-39.4	177.9	-70.9	170.1	0	0	0	112.5	K235 R236 K243	K235-L239 HydrophobicContact CG-CD1 4.23Å; K235-L239 WeakPolarHBondContact O-CG 3.24Å; K235-L239 PolarHBondContact O-N 3.18Å; R236-L239 PolarHBondContact O-N 3.44Å; L239-K243 WeakPolarHBondContact O-CB 3.45Å; L239-K243 PolarHBondContact O-N 2.92Å
240	E	86.6	Confident	81	Confident	121 Å²	121	100.5 Å²	100.5	57%	0.565	48%	0.48	S	S	*	.	H	α-helix	trans	-64.7	-42.2	174.2	-74.2	176.4	177.1	0	0	111.6	R236 V237 L238 K243 N244	R236-E240 WeakPolarHBondContact O-CG 3.44Å; R236-E240 PolarHBondContact O-N 2.9Å; V237-E240 PolarHBondContact O-N 3.37Å; L238-E240 PolarHBondContact O-N 3.24Å; E240-K243 PolarHBondContact O-N 3.45Å; E240-N244 WeakPolarHBondContact O-CB 3.37Å; E240-N244 PolarHBondContact O-N 2.85Å; E240-N244 PolarHBondContact O-ND2 2.98Å
241	M	83.8	Confident	79.2	Confident	89 Å²	89	103 Å²	103	44%	0.438	51%	0.51	S	S	.	.	H	α-helix	trans	-65.1	-43.4	177.1	-172.7	155.3	65.7	0	0	111.8	V237 L238 K243 N244 V245	V237-M241 WeakPolarHBondContact O-CB 3.39Å; V237-M241 PolarHBondContact O-N 3.35Å; L238-M241 HydrophobicContact CD2-CE 4.21Å; L238-M241 PolarHBondContact O-N 3.26Å; M241-K243 VanDerWaalsContact C-N 3.32Å; M241-K243 PolarHBondContact O-N 2.88Å; M241-N244 PolarHBondContact O-N 3.24Å; M241-V245 WeakPolarHBondContact O-CG2 3.38Å; M241-V245 PolarHBondContact O-N 3.38Å
242	E	82.6	Confident	77.4	Confident	102 Å²	102	107.9 Å²	107.9	48%	0.477	54%	0.538	S	S	.	.	H	α-helix	trans	-59.8	-41.5	173.7	-75.1	-179.7	-177.5	0	0	112.2	L238 R246	L238-E242 WeakPolarHBondContact O-CG 3.46Å; L238-E242 PolarHBondContact O-N 3.05Å; E242-R246 VanDerWaalsContact O-CG 3.31Å; E242-R246 WeakPolarHBondContact O-CG 3.39Å; E242-R246 PolarHBondContact O-N 2.79Å; E242-R246 VanDerWaalsContact O-N 3.07Å
243	K	83.8	Confident	74.9	Confident	142 Å²	142	112.7 Å²	112.7	62%	0.617	56%	0.561	S	S	*	*	H	α-helix	trans	-63.3	-43	175.5	-174.2	-178.5	177.3	-175.5	0	111.5	L239 E240 M241 R246 L247	L239-K243 WeakPolarHBondContact O-CB 3.45Å; L239-K243 PolarHBondContact O-N 2.92Å; E240-K243 PolarHBondContact O-N 3.45Å; M241-K243 VanDerWaalsContact C-N 3.32Å; M241-K243 PolarHBondContact O-N 2.88Å; K243-R246 PolarHBondContact O-N 2.72Å; K243-L247 HydrophobicContact CG-CD1 4.35Å; K243-L247 WeakPolarHBondContact O-CG 3.3Å; K243-L247 PolarHBondContact O-N 3.31Å
244	N	81.6	Confident	72.9	Confident	89 Å²	89	113.9 Å²	113.9	48%	0.476	57%	0.566	S	S	.	*	H	α-helix	trans	-66.4	-41.3	179	-70.4	-17.4	0	0	0	112.2	E240 M241 R246 L247 L248	E240-N244 WeakPolarHBondContact O-CB 3.37Å; E240-N244 PolarHBondContact O-N 2.85Å; E240-N244 PolarHBondContact O-ND2 2.98Å; M241-N244 PolarHBondContact O-N 3.24Å; N244-R246 PolarHBondContact O-N 2.8Å; N244-L247 PolarHBondContact O-N 2.99Å; N244-L248 WeakPolarHBondContact O-CD1 3.38Å; N244-L248 PolarHBondContact O-N 2.79Å
245	V	79.8	Confident	70.7	Confident	81 Å²	81	120.8 Å²	120.8	49%	0.491	59%	0.591	S	S	.	*	H	α-helix	trans	-62.4	-42	175	171.8	0	0	0	0	111.2	M241 L247 L248 N249	M241-V245 WeakPolarHBondContact O-CG2 3.38Å; M241-V245 PolarHBondContact O-N 3.38Å; V245-L247 VanDerWaalsContact C-N 3.29Å; V245-L247 PolarHBondContact O-N 3.08Å; V245-L248 PolarHBondContact O-N 2.95Å; V245-N249 WeakPolarHBondContact O-CB 3.17Å; V245-N249 PolarHBondContact O-N 2.89Å
246	R	76.3	Confident	68.7	Low	179 Å²	179	120.5 Å²	120.5	68%	0.675	60%	0.603	S	S	*	*	H	α-helix	trans	-65.5	-30.2	175.7	-70.8	176.5	-169.6	-171.4	6.6	113.1	E242 K243 N244	E242-R246 VanDerWaalsContact O-CG 3.31Å; E242-R246 WeakPolarHBondContact O-CG 3.39Å; E242-R246 PolarHBondContact O-N 2.79Å; E242-R246 VanDerWaalsContact O-N 3.07Å; K243-R246 PolarHBondContact O-N 2.72Å; N244-R246 PolarHBondContact O-N 2.8Å
247	L	74.7	Confident	66.6	Low	102 Å²	102	123.7 Å²	123.7	53%	0.534	62%	0.617	S	S	.	*	H	α-helix	trans	-74.2	-39.6	175.4	-73	167.6	0	0	0	111.9	K243 N244 V245	K243-L247 HydrophobicContact CG-CD1 4.35Å; K243-L247 WeakPolarHBondContact O-CG 3.3Å; K243-L247 PolarHBondContact O-N 3.31Å; N244-L247 PolarHBondContact O-N 2.99Å; V245-L247 VanDerWaalsContact C-N 3.29Å; V245-L247 PolarHBondContact O-N 3.08Å
248	L	67.6	Low	64.7	Low	143 Å²	143	125.6 Å²	125.6	75%	0.749	63%	0.631	S	S	*	*	H	α-helix	trans	-70.5	-33.6	175.4	-93.6	96.4	0	0	0	113.1	N244 V245 K250	N244-L248 WeakPolarHBondContact O-CD1 3.38Å; N244-L248 PolarHBondContact O-N 2.79Å; V245-L248 PolarHBondContact O-N 2.95Å; L248-K250 VanDerWaalsContact C-N 3.28Å; L248-K250 PolarHBondContact O-N 2.86Å
249	N	60.9	Low	62.6	Low	100 Å²	100	128.2 Å²	128.2	54%	0.535	65%	0.653	S	S	.	*	G	3₁₀ helix	trans	-82.3	4.8	-179.1	-84.3	19.9	0	0	0	114.8	V245 G251	V245-N249 WeakPolarHBondContact O-CB 3.17Å; V245-N249 PolarHBondContact O-N 2.89Å; N249-G251 PolarHBondContact O-N 3.02Å; N249-G251 VanDerWaalsContact O-N 3.11Å
250	K	57.9	Low	60.6	Low	182 Å²	182	128.3 Å²	128.3	79%	0.791	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-73.6	9.2	176.8	-95.7	-174.7	176.1	-172.2	0	115	L248	L248-K250 VanDerWaalsContact C-N 3.28Å; L248-K250 PolarHBondContact O-N 2.86Å
251	G	54	Low	58.7	Low	69 Å²	69	126.9 Å²	126.9	71%	0.711	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-135.2	1.5	-175.8	0	0	0	0	0	117.6	N249	N249-G251 PolarHBondContact O-N 3.02Å; N249-G251 VanDerWaalsContact O-N 3.11Å
252	T	48.1	Very low	56.7	Low	117 Å²	117	127.6 Å²	127.6	72%	0.718	67%	0.669	S	S	*	*			trans	-145.2	111.2	-177.7	-22.5	0	0	0	0	110.8
253	E	37.1	Very low	54.8	Low	168 Å²	168	127.7 Å²	127.7	79%	0.785	68%	0.676	S	S	*	*			trans	-63.6	153.1	160.7	-62.5	-157.6	154.3	0	0	109.4
254	H	45	Very low	53.1	Low	148 Å²	148	127 Å²	127	69%	0.685	68%	0.677	S	S	*	*	S	Bend	trans	103.1	111.9	171.9	-70.3	-101.5	0	0	0	118.6
255	Y	36.6	Very low	51.6	Low	209 Å²	209	127.6 Å²	127.6	82%	0.82	68%	0.68	S	S	*	*			trans	41.5	94.7	145.9	-64.6	-92.3	0	0	0	118.4
256	S	42.7	Very low	50.2	Low	104 Å²	104	124.7 Å²	124.7	73%	0.727	66%	0.662	S	S	*	*			trans	-127.6	113.2	162.2	-61.9	0	0	0	0	109.9
257	Y	42.8	Very low	48.9	Very low	211 Å²	211	127.1 Å²	127.1	83%	0.827	67%	0.672	S	S	*	*			trans	-53.1	144.5	170.5	-76.2	-96.3	0	0	0	110.5	C259	Y257-C259 VanDerWaalsContact C-N 3.33Å; Y257-C259 PolarHBondContact O-N 3.33Å
258	P	46.8	Very low	47.8	Very low	118 Å²	118	123.3 Å²	123.3	77%	0.766	65%	0.653	S	S	*	*			trans	-69.5	93.7	175	28.5	-30.9	0	0	0	108.7	T260	P258-T260 VanDerWaalsContact C-N 3.31Å; P258-T260 PolarHBondContact O-N 2.87Å
259	C	40.7	Very low	46.8	Very low	122 Å²	122	120.2 Å²	120.2	82%	0.824	65%	0.648	S	S	*	*			trans	-67.4	98.2	161.6	-170.1	0	0	0	0	106.3	Y257 P261	Y257-C259 VanDerWaalsContact C-N 3.33Å; Y257-C259 PolarHBondContact O-N 3.33Å; C259-P261 WeakPolarHBondContact O-CD 3.08Å
260	T	43.4	Very low	46.3	Very low	98 Å²	98	117 Å²	117	60%	0.601	63%	0.629	S	S	*	*			trans	-55.8	122	175.3	44.5	0	0	0	0	108.6	P258 T262	P258-T260 VanDerWaalsContact C-N 3.31Å; P258-T260 PolarHBondContact O-N 2.87Å; T260-T262 PolarHBondContact O-N 2.9Å; T260-T262 PolarHBondContact O-OG1 3.47Å; T260-T262 PolarHBondContact OG1-OG1 2.66Å
261	P	45.5	Very low	46	Very low	91 Å²	91	109.6 Å²	109.6	59%	0.591	60%	0.596	S	S	*	*			trans	-67.7	91.1	170.6	20.7	-18.1	0	0	0	106.9	C259 T263	C259-P261 WeakPolarHBondContact O-CD 3.08Å; P261-T263 PolarHBondContact O-N 2.86Å
262	T	41.9	Very low	45.8	Very low	104 Å²	104	113.2 Å²	113.2	64%	0.638	59%	0.594	S	S	*	*			trans	-79.8	66.4	175.6	-53.6	0	0	0	0	106.8	T260	T260-T262 PolarHBondContact O-N 2.9Å; T260-T262 PolarHBondContact O-OG1 3.47Å; T260-T262 PolarHBondContact OG1-OG1 2.66Å
263	T	43.9	Very low	45.9	Very low	104 Å²	104	110.9 Å²	110.9	64%	0.638	58%	0.575	S	S	*	*			trans	-137.2	100.8	173.2	59.7	0	0	0	0	110.6	P261 L265	P261-T263 PolarHBondContact O-N 2.86Å; T263-L265 PolarHBondContact O-N 2.98Å
264	M	46.9	Very low	46.6	Very low	127 Å²	127	103.6 Å²	103.6	63%	0.626	54%	0.541	S	S	*	.			trans	71.4	17.9	133.5	-54.5	-72.3	-76.6	0	0	120	M201	M201-M264 HydrophobicContact CE-SD 4.49Å
265	L	51.4	Low	46.8	Very low	103 Å²	103	99.4 Å²	99.4	54%	0.539	53%	0.526	S	S	.	.			trans	-67.6	133.8	160	-68.2	176.5	0	0	0	108.9	H234 T263 R267	H234-L265 HydrophobicContact CB-CD2 4.35Å; T263-L265 PolarHBondContact O-N 2.98Å; L265-R267 PolarHBondContact O-N 2.89Å
266	P	49	Very low	47.1	Very low	20 Å²	20	91.9 Å²	91.9	13%	0.13	51%	0.512	C	S	.	.			trans	-54.8	114.4	165.8	8.7	-17.4	0	0	0	108.8	C182 S268 W271	C182-P266 WeakPolarHBondContact O-CB 3.46Å; C182-P266 WeakPolarHBondContact O-CG 3.26Å; P266-S268 PolarHBondContact O-N 2.87Å; P266-W271 HydrophobicContact CB-CD2 4.39Å; P266-W271 HydrophobicContact CB-CG 4.46Å; P266-W271 HydrophobicContact CB-CZ2 3.8Å; P266-W271 HydrophobicContact CG-CD2 3.73Å; P266-W271 HydrophobicContact CG-CE3 4.4Å; P266-W271 HydrophobicContact CG-CG 4.12Å; P266-W271 HydrophobicContact CG-CH2 3.85Å; P266-W271 HydrophobicContact CG-CZ2 3.22Å; P266-W271 HydrophobicContact CG-CZ3 4.42Å; P266-W271 VanDerWaalsContact CG-NE1 3.33Å
267	R	49.7	Very low	47.3	Very low	230 Å²	230	91.5 Å²	91.5	87%	0.868	51%	0.509	S	S	*	.			trans	-65.4	11.4	-175.5	-71	-174.4	167.1	117.6	-5.1	114.6	L265	L265-R267 PolarHBondContact O-N 2.89Å
268	S	51.9	Low	47.3	Very low	21 Å²	21	89.3 Å²	89.3	15%	0.147	51%	0.507	C	S	.	.			trans	-77.8	129.3	-178.2	158.8	0	0	0	0	110.2	R185 P266 Y270 W271	R185-S268 VanDerWaalsContact O-CB 3.25Å; R185-S268 WeakPolarHBondContact O-CB 3.19Å; R185-S268 PolarHBondContact O-OG 2.84Å; P266-S268 PolarHBondContact O-N 2.87Å; S268-Y270 PolarHBondContact O-N 2.85Å; S268-Y270 WeakPolarHBondContact OG-CB 3.24Å; S268-Y270 PolarHBondContact OG-N 2.94Å; S268-Y270 VanDerWaalsContact OG-N 3.15Å; S268-W271 PolarHBondContact O-N 3.21Å
269	A	47.1	Very low	46.8	Very low	78 Å²	78	91 Å²	91	65%	0.645	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-16.2	173	0	0	0	0	0	113.1
270	Y	49.2	Very low	46.6	Very low	34 Å²	34	93.1 Å²	93.1	13%	0.133	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-26.9	-178.3	-176	-118	0	0	0	114.2	Y187 S268 H272 H273 I274 I307	Y187-Y270 HydrophobicContact CE1-CE1 4.46Å; S268-Y270 PolarHBondContact O-N 2.85Å; S268-Y270 WeakPolarHBondContact OG-CB 3.24Å; S268-Y270 PolarHBondContact OG-N 2.94Å; S268-Y270 VanDerWaalsContact OG-N 3.15Å; Y270-H272 PolarHBondContact O-N 2.79Å; Y270-H272 VanDerWaalsContact O-N 3.16Å; Y270-H273 HydrophobicContact CD2-CB 4.42Å; Y270-H273 PolarHBondContact O-N 3.34Å; Y270-I274 HydrophobicContact CD1-CD1 3.46Å; Y270-I274 VanDerWaalsContact CD1-CD1 3.46Å; Y270-I274 HydrophobicContact CD1-CG1 3.89Å; Y270-I274 HydrophobicContact CE1-CD1 3.19Å; Y270-I274 HydrophobicContact CE1-CG1 3.43Å; Y270-I274 VanDerWaalsContact CE1-CG1 3.43Å; Y270-I274 HydrophobicContact CE2-CG1 4.38Å; Y270-I274 HydrophobicContact CG-CD1 4.43Å; Y270-I274 PolarHBondContact O-N 3.27Å; Y270-I307 HydrophobicContact CE2-CB 4.17Å; Y270-I307 HydrophobicContact CE2-CD1 4.36Å; Y270-I307 HydrophobicContact CE2-CG2 3.86Å; Y270-I307 WeakPolarHBondContact OH-CD1 3.2Å
271	W	51.5	Low	45.9	Very low	26 Å²	26	92.7 Å²	92.7	10%	0.098	52%	0.517	C	S	.	.	H	α-helix	trans	-62.6	-27.7	-176.4	-72.3	92.6	0	0	0	113.6	T227 A231 P266 S268 H273 I274 T275	T227-W271 HydrophobicContact CG2-CE3 4.13Å; T227-W271 HydrophobicContact CG2-CH2 3.04Å; T227-W271 HydrophobicContact CG2-CZ2 3.66Å; T227-W271 HydrophobicContact CG2-CZ3 3.27Å; T227-W271 WeakPolarHBondContact O-CZ3 3.34Å; A231-W271 HydrophobicContact CB-CE3 3.88Å; A231-W271 HydrophobicContact CB-CZ3 3.79Å; P266-W271 HydrophobicContact CB-CD2 4.39Å; P266-W271 HydrophobicContact CB-CG 4.46Å; P266-W271 HydrophobicContact CB-CZ2 3.8Å; P266-W271 HydrophobicContact CG-CD2 3.73Å; P266-W271 HydrophobicContact CG-CE3 4.4Å; P266-W271 HydrophobicContact CG-CG 4.12Å; P266-W271 HydrophobicContact CG-CH2 3.85Å; P266-W271 HydrophobicContact CG-CZ2 3.22Å; P266-W271 HydrophobicContact CG-CZ3 4.42Å; P266-W271 VanDerWaalsContact CG-NE1 3.33Å; S268-W271 PolarHBondContact O-N 3.21Å; W271-H273 VanDerWaalsContact C-N 3.32Å; W271-H273 PolarHBondContact O-N 2.99Å; W271-I274 HydrophobicContact CD2-CD1 4.45Å; W271-I274 HydrophobicContact CE3-CD1 4.27Å; W271-T275 PolarHBondContact O-N 3.42Å; W271-T275 PolarHBondContact O-OG1 3.11Å
272	H	51.5	Low	45.2	Very low	145 Å²	145	97.7 Å²	97.7	67%	0.671	53%	0.532	S	S	*	.	H	α-helix	trans	-65.7	-32.6	173.2	-65.4	-66.6	0	0	0	112.8	Y270 G276	Y270-H272 PolarHBondContact O-N 2.79Å; Y270-H272 VanDerWaalsContact O-N 3.16Å; H272-G276 PolarHBondContact O-N 3.28Å
273	H	50	Low	44.7	Very low	68 Å²	68	96.9 Å²	96.9	32%	0.315	54%	0.537	S	S	.	.	H	α-helix	trans	-77.7	-32.5	179.3	-66.5	-72.3	0	0	0	112.8	Y270 W271 S277 L309	Y270-H273 HydrophobicContact CD2-CB 4.42Å; Y270-H273 PolarHBondContact O-N 3.34Å; W271-H273 VanDerWaalsContact C-N 3.32Å; W271-H273 PolarHBondContact O-N 2.99Å; H273-S277 PolarHBondContact O-OG 2.93Å; H273-L309 HydrophobicContact CB-CD1 4.45Å
274	I	50.3	Low	44.2	Very low	15 Å²	15	97 Å²	97	8%	0.077	54%	0.541	C	S	.	.	H	α-helix	trans	-68.4	-43.6	178.7	-62.2	172	0	0	0	110.9	T227 L228 Y270 W271	T227-I274 HydrophobicContact CG2-CD1 4.18Å; L228-I274 HydrophobicContact CD1-CG2 4.36Å; L228-I274 HydrophobicContact CD2-CG2 3.13Å; L228-I274 HydrophobicContact CG-CG2 3.45Å; L228-I274 VanDerWaalsContact CG-CG2 3.45Å; Y270-I274 HydrophobicContact CD1-CD1 3.46Å; Y270-I274 VanDerWaalsContact CD1-CD1 3.46Å; Y270-I274 HydrophobicContact CD1-CG1 3.89Å; Y270-I274 HydrophobicContact CE1-CD1 3.19Å; Y270-I274 HydrophobicContact CE1-CG1 3.43Å; Y270-I274 VanDerWaalsContact CE1-CG1 3.43Å; Y270-I274 HydrophobicContact CE2-CG1 4.38Å; Y270-I274 HydrophobicContact CG-CD1 4.43Å; Y270-I274 PolarHBondContact O-N 3.27Å; W271-I274 HydrophobicContact CD2-CD1 4.45Å; W271-I274 HydrophobicContact CE3-CD1 4.27Å
275	T	50.4	Low	43.4	Very low	59 Å²	59	95.7 Å²	95.7	36%	0.362	55%	0.545	S	S	.	.	H	α-helix	trans	-84	-23	-178.9	53	0	0	0	0	113.5	A231 W271	A231-T275 HydrophobicContact CB-CG2 3.81Å; W271-T275 PolarHBondContact O-N 3.42Å; W271-T275 PolarHBondContact O-OG1 3.11Å
276	G	41.7	Very low	42.4	Very low	51 Å²	51	101.6 Å²	101.6	53%	0.526	56%	0.561	S	S	.	*	H	α-helix	trans	-83.2	-9.2	-175.8	0	0	0	0	0	116.1	H272 Q278	H272-G276 PolarHBondContact O-N 3.28Å; G276-Q278 VanDerWaalsContact C-N 3.34Å; G276-Q278 PolarHBondContact O-N 2.87Å
277	S	48.1	Very low	41.8	Very low	96 Å²	96	105.7 Å²	105.7	67%	0.671	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	4.2	-171.7	-59	0	0	0	0	115	H273	H273-S277 PolarHBondContact O-OG 2.93Å
278	Q	42.6	Very low	41	Very low	166 Å²	166	98.2 Å²	98.2	78%	0.776	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	12.8	-178.7	-76.3	-176.1	-10	0	0	115.2	G276	G276-Q278 VanDerWaalsContact C-N 3.34Å; G276-Q278 PolarHBondContact O-N 2.87Å
279	N	35.9	Very low	40	Very low	152 Å²	152	107 Å²	107	81%	0.813	63%	0.63	S	S	*	*	S	Bend	trans	-136	28.9	-176	-90.9	-39.4	0	0	0	115.9
280	I	36.6	Very low	39.4	Very low	168 Å²	168	107 Å²	107	86%	0.862	64%	0.637	S	S	*	*			trans	-123.2	66.5	169.7	-51.8	178.7	0	0	0	109.1
281	A	29.3	Very low	38.4	Very low	88 Å²	88	117.2 Å²	117.2	73%	0.727	68%	0.678	S	S	*	*			trans	-114.3	137.8	150.1	0	0	0	0	0	105.5
282	E	29.5	Very low	37.5	Very low	196 Å²	196	119.7 Å²	119.7	92%	0.916	71%	0.711	S	S	*	*	S	Bend	trans	79.6	79.4	176.4	-52.3	-178.1	166.1	0	0	116.8
283	A	33	Very low	36.6	Very low	88 Å²	88	117.6 Å²	117.6	73%	0.727	72%	0.719	S	S	*	*			trans	-172.2	113.4	136.9	0	0	0	0	0	112
284	S	32.8	Very low	35.6	Very low	105 Å²	105	118.8 Å²	118.8	73%	0.734	74%	0.74	S	S	*	*			trans	46.8	102.2	142.7	59.9	0	0	0	0	119
285	S	30.4	Very low	34.7	Very low	100 Å²	100	127.2 Å²	127.2	70%	0.699	78%	0.779	S	S	*	*				84.1	125	72.6	76.3	0	0	0	0	115.9
286	Y	30.7	Very low	33.8	Very low	228 Å²	228	128.5 Å²	128.5	89%	0.894	80%	0.796	S	S	*	*			trans	86.7	131.7	151.2	-83.6	-80.9	0	0	0	122.7
287	A	35.3	Very low	33.2	Very low	106 Å²	106	131.7 Å²	131.7	88%	0.876	81%	0.81	S	S	*	*			trans	78.6	130.2	163.1	0	0	0	0	0	116.8
288	G	32.6	Very low	32.5	Very low	72 Å²	72	130.4 Å²	130.4	74%	0.742	80%	0.801	S	S	*	*			cis	161.3	122.6	6.5	0	0	0	0	0	107.9
289	E	32.5	Very low	32.2	Very low	206 Å²	206	131.9 Å²	131.9	96%	0.963	81%	0.808	S	S	*	*			trans	37.9	138.2	152.5	-61.4	-175.7	140	0	0	123.7
290	G	32.8	Very low	32.3	Very low	78 Å²	78	129.8 Å²	129.8	80%	0.804	80%	0.801	S	S	*	*			trans	164.9	90.5	156.3	0	0	0	0	0	114.9
291	Y	30.2	Very low	32.3	Very low	249 Å²	249	126.4 Å²	126.4	98%	0.976	79%	0.785	S	S	*	*			trans	-67.4	151.9	174.3	-84.9	-99.6	0	0	0	113.6
292	G	32.5	Very low	32.8	Very low	77 Å²	77	129.6 Å²	129.6	79%	0.794	79%	0.788	S	S	*	*			trans	172.2	86.2	163.9	0	0	0	0	0	117.9
293	A	31.5	Very low	33.3	Very low	101 Å²	101	126.5 Å²	126.5	84%	0.835	78%	0.777	S	S	*	*			trans	23.1	121.9	148.9	0	0	0	0	0	123.8
294	A	29.7	Very low	33.5	Very low	93 Å²	93	127.8 Å²	127.8	77%	0.769	77%	0.772	S	S	*	*				36.3	121.3	127	0	0	0	0	0	122.2
295	Q	31.2	Very low	33.8	Very low	193 Å²	193	133.4 Å²	133.4	90%	0.902	78%	0.777	S	S	*	*				-172.1	133.7	125.6	-110	173.2	-14.6	0	0	114.4
296	A	31.7	Very low	34.3	Very low	85 Å²	85	131.1 Å²	131.1	70%	0.702	76%	0.755	S	S	*	*			trans	50.2	108.8	139.3	0	0	0	0	0	122.2
297	S	27.9	Very low	34.8	Very low	118 Å²	118	124.2 Å²	124.2	83%	0.825	73%	0.733	S	S	*	*			trans	37.4	113.3	131.2	65.6	0	0	0	0	120.4
298	S	34.3	Very low	34.8	Very low	70 Å²	70	124.5 Å²	124.5	49%	0.49	72%	0.719	S	S	.	*			trans	-150.1	133.5	135.8	72.2	0	0	0	0	110.4	T300 D301	S298-T300 PolarHBondContact O-N 2.79Å; S298-T300 PolarHBondContact OG-OG1 3.48Å; S298-T300 VanDerWaalsContact OG-OG1 3.04Å; S298-D301 PolarHBondContact O-N 3Å
299	E	35.9	Very low	34.9	Very low	197 Å²	197	126.2 Å²	126.2	92%	0.921	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	7.7	179.9	-80.3	-179.4	113.9	0	0	114.3
300	T	37.9	Very low	34.9	Very low	107 Å²	107	124.8 Å²	124.8	66%	0.656	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-6.5	179.8	31.5	0	0	0	0	114.4	S298	S298-T300 PolarHBondContact O-N 2.79Å; S298-T300 PolarHBondContact OG-OG1 3.48Å; S298-T300 VanDerWaalsContact OG-OG1 3.04Å
301	D	37.3	Very low	35	Very low	98 Å²	98	126.5 Å²	126.5	52%	0.524	70%	0.698	S	S	.	*	G	3₁₀ helix	trans	-87.3	-5.3	-178	-96.8	-33.4	0	0	0	115.5	S298 L303 N304	S298-D301 PolarHBondContact O-N 3Å; D301-L303 PolarHBondContact O-N 3.35Å; D301-N304 PolarHBondContact O-N 3.21Å; D301-N304 PolarHBondContact OD1-ND2 3.16Å
302	L	40.2	Very low	35.3	Very low	154 Å²	154	123.9 Å²	123.9	81%	0.806	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-73.4	-16.6	179.7	-65	179.9	0	0	0	113.4
303	L	39.5	Very low	35.6	Very low	131 Å²	131	125.9 Å²	125.9	69%	0.686	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-83.3	-11.9	172	-72.8	170.4	0	0	0	113.3	D301 R305 F306	D301-L303 PolarHBondContact O-N 3.35Å; L303-R305 VanDerWaalsContact C-N 3.3Å; L303-R305 PolarHBondContact O-N 3.37Å; L303-F306 HydrophobicContact CD2-CE2 4.27Å; L303-F306 WeakPolarHBondContact O-CD2 3.38Å
304	N	36.8	Very low	35.9	Very low	115 Å²	115	126.7 Å²	126.7	62%	0.615	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-86.2	0.8	-179.8	-75.9	-29	0	0	0	113.6	D301	D301-N304 PolarHBondContact O-N 3.21Å; D301-N304 PolarHBondContact OD1-ND2 3.16Å
305	R	39.9	Very low	36.5	Very low	223 Å²	223	131.7 Å²	131.7	84%	0.842	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-89.6	4	175.2	-123.3	-178	-175.7	-176.2	1.7	114.5	L303	L303-R305 VanDerWaalsContact C-N 3.3Å; L303-R305 PolarHBondContact O-N 3.37Å
306	F	39.4	Very low	36.8	Very low	53 Å²	53	126.1 Å²	126.1	23%	0.232	69%	0.692	C	S	.	*	S	Bend	trans	-64.9	132.4	158.1	-77.6	-82.7	0	0	0	107.8	R186 T195 L303 L308	R186-F306 HydrophobicContact CG-CD1 4.46Å; R186-F306 HydrophobicContact CG-CE1 4.48Å; T195-F306 HydrophobicContact CG2-CZ 4.24Å; L303-F306 HydrophobicContact CD2-CE2 4.27Å; L303-F306 WeakPolarHBondContact O-CD2 3.38Å; F306-L308 VanDerWaalsContact C-N 3.27Å; F306-L308 PolarHBondContact O-N 3.17Å
307	I	42.4	Very low	37	Very low	83 Å²	83	130.2 Å²	130.2	43%	0.426	70%	0.702	S	S	.	*			trans	-57.5	93.5	177.4	-60.6	169.3	0	0	0	108.3	Y270 L309	Y270-I307 HydrophobicContact CE2-CB 4.17Å; Y270-I307 HydrophobicContact CE2-CD1 4.36Å; Y270-I307 HydrophobicContact CE2-CG2 3.86Å; Y270-I307 WeakPolarHBondContact OH-CD1 3.2Å; I307-L309 HydrophobicContact CG2-CD1 4.35Å; I307-L309 HydrophobicContact CG2-CG 4.15Å
308	L	35.8	Very low	37.7	Very low	111 Å²	111	130.3 Å²	130.3	58%	0.581	70%	0.703	S	S	*	*			trans	-107.1	75.4	177.4	-155.5	99.6	0	0	0	107.1	F306 K310	F306-L308 VanDerWaalsContact C-N 3.27Å; F306-L308 PolarHBondContact O-N 3.17Å; L308-K310 HydrophobicContact CD2-CD 4.38Å; L308-K310 HydrophobicContact CD2-CG 3.92Å; L308-K310 PolarHBondContact O-N 2.98Å; L308-K310 VanDerWaalsContact O-N 3.12Å
309	L	34.1	Very low	38.1	Very low	109 Å²	109	131.9 Å²	131.9	57%	0.571	71%	0.714	S	S	*	*			trans	-76.7	92.8	165.6	-67.7	174	0	0	0	107.3	H273 I307 P311	H273-L309 HydrophobicContact CB-CD1 4.45Å; I307-L309 HydrophobicContact CG2-CD1 4.35Å; I307-L309 HydrophobicContact CG2-CG 4.15Å; L309-P311 WeakPolarHBondContact O-CD 3.09Å
310	K	32.7	Very low	38.3	Very low	175 Å²	175	131.5 Å²	131.5	76%	0.761	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-66.9	127	167.4	-75	-171.7	176.7	178.8	0	108.9	L308	L308-K310 HydrophobicContact CD2-CD 4.38Å; L308-K310 HydrophobicContact CD2-CG 3.92Å; L308-K310 PolarHBondContact O-N 2.98Å; L308-K310 VanDerWaalsContact O-N 3.12Å
311	P	34.1	Very low	38.4	Very low	114 Å²	114	130.6 Å²	130.6	74%	0.74	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-72.3	135	166	-7.8	24.5	0	0	0	109.6	L309	L309-P311 WeakPolarHBondContact O-CD 3.09Å
312	K	35.8	Very low	38.8	Very low	195 Å²	195	135.3 Å²	135.3	85%	0.848	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-70.5	135.3	175.5	-172.8	173.8	-178.3	171.1	0	109.9	S314	K312-S314 PolarHBondContact O-N 3.47Å
313	P	39.6	Very low	39.4	Very low	119 Å²	119	134.5 Å²	134.5	77%	0.773	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-74.3	120.9	172.5	28.6	-30.3	0	0	0	109.7
314	S	39	Very low	39.5	Very low	118 Å²	118	133.4 Å²	133.4	83%	0.825	73%	0.734	S	S	*	*			trans	-83.1	113.8	169	53.9	0	0	0	0	109.5	K312	K312-S314 PolarHBondContact O-N 3.47Å
315	Q	40.5	Very low	40.2	Very low	198 Å²	198	133.8 Å²	133.8	93%	0.925	75%	0.745	S	S	*	*			trans	-64.1	125.6	159.1	-77.4	-178.9	-32.9	0	0	108.4
316	G	37.7	Very low	40.6	Very low	76 Å²	76	136.3 Å²	136.3	78%	0.784	77%	0.766	S	S	*	*			trans	-104.2	103.7	168.2	0	0	0	0	0	109.1
317	D	35.8	Very low	40.6	Very low	170 Å²	170	140.5 Å²	140.5	91%	0.909	79%	0.793	S	S	*	*			trans	-98.5	122.9	151.8	-96.9	-25.6	0	0	0	106.8
318	S	42.6	Very low	40.6	Very low	120 Å²	120	143.5 Å²	143.5	84%	0.839	81%	0.812	S	S	*	*			trans	-156.7	115.1	152.7	59.9	0	0	0	0	109.8
319	S	42.7	Very low	40.8	Very low	103 Å²	103	145.3 Å²	145.3	72%	0.72	83%	0.825	S	S	*	*			trans	-74.5	167.3	175.4	44.4	0	0	0	0	114
320	E	40.1	Very low	41.2	Very low	189 Å²	189	147.4 Å²	147.4	88%	0.883	84%	0.84	S	S	*	*			trans	74.8	135	162.8	-65.3	179	128.7	0	0	116.6
321	A	41.5	Very low	41.8	Very low	88 Å²	88	145.7 Å²	145.7	73%	0.727	85%	0.845	S	S	*	*			cis	-170.8	166.3	42.1	0	0	0	0	0	113.5
322	K	44.7	Very low	42.3	Very low	197 Å²	197	147.8 Å²	147.8	86%	0.857	85%	0.852	S	S	*	*			trans	80	124.2	160.3	-73.3	173.9	174.8	177	0	116.1
323	T	53.1	Low	42.7	Very low	137 Å²	137	144.4 Å²	144.4	84%	0.84	85%	0.853	S	S	*	*				-160.9	154.2	65.2	-9.5	0	0	0	0	112.2
324	P	42	Very low	43	Very low	109 Å²	109	146.4 Å²	146.4	71%	0.708	86%	0.859	S	S	*	*			trans	-101.5	172.6	172.5	37.8	-27.8	0	0	0	113.8
325	S	51.7	Low	43.3	Very low	123 Å²	123	148.8 Å²	148.8	86%	0.86	86%	0.861	S	S	*	*			trans	81.1	129.3	-180	72.1	0	0	0	0	114.7
326	Q	47.3	Very low	43.6	Very low	275 Å²	275	144.3 Å²	144.3	100%	1.285	86%	0.856	S	S	*	*			cis	-119.4	0	20.9	-78.8	175.8	-25.4	0	0	114.2

Retrieved 326 of 326 residues in 370.2 ms (Link to these results)

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