A0A078N209_HUMAN Loading...

MHC Class I antigen

AlphaFold DB , UniProt , Accession A0A078N209, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 337 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.3	Very low	42.9	Very low	241 Å²	241	128.1 Å²	128.1	100%	1.187	71%	0.706	S	S	*	*				0	99.5	0	-87.3	173.9	-84.8	0	0	107.8	V3	M1-V3 PolarHBondContact O-N 3.42Å
2	A	35.5	Very low	43.2	Very low	105 Å²	105	128.1 Å²	128.1	87%	0.868	70%	0.703	S	S	*	*			trans	-78.7	112.9	173.9	0	0	0	0	0	107.5	M4	A2-M4 PolarHBondContact O-N 3.13Å
3	V	40.5	Very low	43.1	Very low	141 Å²	141	125.5 Å²	125.5	86%	0.855	69%	0.687	S	S	*	*			trans	-71.7	100.2	174.4	179.1	0	0	0	0	106.8	M1 A5	M1-V3 PolarHBondContact O-N 3.42Å; V3-A5 PolarHBondContact O-N 3.05Å; V3-A5 VanDerWaalsContact O-N 3.13Å
4	M	39.8	Very low	42.9	Very low	159 Å²	159	123.8 Å²	123.8	78%	0.783	68%	0.676	S	S	*	*			trans	-64.7	107.9	168.6	-111.3	172.6	65.5	0	0	107.5	A2	A2-M4 PolarHBondContact O-N 3.13Å
5	A	41.8	Very low	42.9	Very low	63 Å²	63	117.9 Å²	117.9	52%	0.521	66%	0.655	S	S	.	*			trans	-56.8	139.6	167.2	0	0	0	0	0	109	V3 R7	V3-A5 PolarHBondContact O-N 3.05Å; V3-A5 VanDerWaalsContact O-N 3.13Å; A5-R7 PolarHBondContact O-N 3.44Å
6	P	48	Very low	42.9	Very low	77 Å²	77	112.9 Å²	112.9	50%	0.5	63%	0.634	S	S	.	*			trans	-62.6	124.7	-179	-3.2	13.2	0	0	0	109	T8 L9 L10	P6-T8 PolarHBondContact O-N 3.2Å; P6-L9 HydrophobicContact CG-CB 4.43Å; P6-L9 WeakPolarHBondContact O-CB 3.48Å; P6-L9 PolarHBondContact O-N 3.4Å; P6-L10 PolarHBondContact O-N 2.89Å
7	R	46.2	Very low	42.7	Very low	203 Å²	203	112.1 Å²	112.1	77%	0.766	63%	0.627	S	S	*	*	H	α-helix	trans	-50.4	-27.8	179.8	-85.2	177	160.5	148.1	-5.7	113.5	A5 L11	A5-R7 PolarHBondContact O-N 3.44Å; R7-L11 WeakPolarHBondContact O-CD1 3.45Å; R7-L11 VanDerWaalsContact O-CG 3.28Å; R7-L11 WeakPolarHBondContact O-CG 3.45Å; R7-L11 PolarHBondContact O-N 3.05Å; R7-L11 VanDerWaalsContact O-N 3.11Å
8	T	49.2	Very low	42.5	Very low	98 Å²	98	108.4 Å²	108.4	60%	0.601	61%	0.614	S	S	*	*	H	α-helix	trans	-69.1	-37.8	175.5	39.8	0	0	0	0	113.6	P6 L10 L11 L12	P6-T8 PolarHBondContact O-N 3.2Å; T8-L10 VanDerWaalsContact C-N 3.34Å; T8-L11 PolarHBondContact O-N 2.98Å; T8-L12 WeakPolarHBondContact O-CG 3.28Å; T8-L12 PolarHBondContact O-N 3.11Å
9	L	45.9	Very low	42.3	Very low	100 Å²	100	108.8 Å²	108.8	52%	0.524	61%	0.613	S	S	.	*	H	α-helix	trans	-68.8	-37.3	176.4	-153.9	87.2	0	0	0	110.8	P6 L12 L13	P6-L9 HydrophobicContact CG-CB 4.43Å; P6-L9 WeakPolarHBondContact O-CB 3.48Å; P6-L9 PolarHBondContact O-N 3.4Å; L9-L12 PolarHBondContact O-N 2.91Å; L9-L13 HydrophobicContact CD2-CD1 4.44Å; L9-L13 HydrophobicContact CG-CD1 4.43Å; L9-L13 WeakPolarHBondContact O-CB 3.4Å; L9-L13 WeakPolarHBondContact O-CD1 3.28Å; L9-L13 WeakPolarHBondContact O-CG 3.33Å; L9-L13 PolarHBondContact O-N 2.86Å
10	L	41.8	Very low	42.3	Very low	102 Å²	102	107.2 Å²	107.2	53%	0.534	61%	0.606	S	S	.	*	H	α-helix	trans	-67.2	-38.7	176.7	-160.9	75.4	0	0	0	111.8	P6 T8 L14	P6-L10 PolarHBondContact O-N 2.89Å; T8-L10 VanDerWaalsContact C-N 3.34Å; L10-L14 HydrophobicContact CG-CD1 4.26Å; L10-L14 WeakPolarHBondContact O-CB 3.22Å; L10-L14 WeakPolarHBondContact O-CD1 3.35Å; L10-L14 VanDerWaalsContact O-CG 3.23Å; L10-L14 WeakPolarHBondContact O-CG 3.45Å; L10-L14 PolarHBondContact O-N 3.49Å
11	L	48.8	Very low	42.2	Very low	120 Å²	120	109.8 Å²	109.8	63%	0.628	61%	0.613	S	S	*	*	H	α-helix	trans	-69.7	-38.2	176.1	-73.4	166	0	0	0	112.6	R7 T8 L14 G15	R7-L11 WeakPolarHBondContact O-CD1 3.45Å; R7-L11 VanDerWaalsContact O-CG 3.28Å; R7-L11 WeakPolarHBondContact O-CG 3.45Å; R7-L11 PolarHBondContact O-N 3.05Å; R7-L11 VanDerWaalsContact O-N 3.11Å; T8-L11 PolarHBondContact O-N 2.98Å; L11-L14 PolarHBondContact O-N 2.87Å; L11-G15 PolarHBondContact O-N 3.45Å
12	L	46.9	Very low	42.6	Very low	128 Å²	128	102.8 Å²	102.8	67%	0.67	58%	0.584	S	S	*	*	H	α-helix	trans	-67.1	-40.7	173.8	-76.6	166	0	0	0	112	T8 L9 G15 A16	T8-L12 WeakPolarHBondContact O-CG 3.28Å; T8-L12 PolarHBondContact O-N 3.11Å; L9-L12 PolarHBondContact O-N 2.91Å; L12-G15 PolarHBondContact O-N 2.92Å; L12-A16 WeakPolarHBondContact O-CB 3.47Å; L12-A16 PolarHBondContact O-N 3.11Å
13	L	41.9	Very low	43.2	Very low	95 Å²	95	104.5 Å²	104.5	50%	0.497	57%	0.568	S	S	.	*	H	α-helix	trans	-65.7	-39.6	174.1	-78.8	162	0	0	0	111.9	L9 L17	L9-L13 HydrophobicContact CD2-CD1 4.44Å; L9-L13 HydrophobicContact CG-CD1 4.43Å; L9-L13 WeakPolarHBondContact O-CB 3.4Å; L9-L13 WeakPolarHBondContact O-CD1 3.28Å; L9-L13 WeakPolarHBondContact O-CG 3.33Å; L9-L13 PolarHBondContact O-N 2.86Å; L13-L17 VanDerWaalsContact O-CB 3.22Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 WeakPolarHBondContact O-CD1 3.45Å; L13-L17 VanDerWaalsContact O-CG 3.28Å; L13-L17 WeakPolarHBondContact O-CG 3.23Å; L13-L17 PolarHBondContact O-N 2.97Å
14	L	40.3	Very low	44.2	Very low	101 Å²	101	100.3 Å²	100.3	53%	0.529	55%	0.548	S	S	.	.	H	α-helix	trans	-67.3	-37.4	174.1	-76.9	163.1	0	0	0	112.1	L10 L11 A18	L10-L14 HydrophobicContact CG-CD1 4.26Å; L10-L14 WeakPolarHBondContact O-CB 3.22Å; L10-L14 WeakPolarHBondContact O-CD1 3.35Å; L10-L14 VanDerWaalsContact O-CG 3.23Å; L10-L14 WeakPolarHBondContact O-CG 3.45Å; L10-L14 PolarHBondContact O-N 3.49Å; L11-L14 PolarHBondContact O-N 2.87Å; L14-A18 WeakPolarHBondContact O-CB 3.36Å; L14-A18 PolarHBondContact O-N 3.42Å
15	G	42.1	Very low	46	Very low	35 Å²	35	94 Å²	94	36%	0.361	52%	0.524	S	S	.	.	H	α-helix	trans	-66.2	-44.3	173.8	0	0	0	0	0	112.7	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 3.45Å; L12-G15 PolarHBondContact O-N 2.92Å; G15-A18 PolarHBondContact O-N 2.8Å; G15-L19 WeakPolarHBondContact O-CD1 3.38Å; G15-L19 PolarHBondContact O-N 3.37Å
16	A	43.6	Very low	48.4	Very low	39 Å²	39	92.7 Å²	92.7	32%	0.322	51%	0.511	S	S	.	.	H	α-helix	trans	-66.7	-41.2	175.6	0	0	0	0	0	112.2	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.47Å; L12-A16 PolarHBondContact O-N 3.11Å; A16-L19 PolarHBondContact O-N 3.1Å; A16-T20 WeakPolarHBondContact O-CG2 3.19Å; A16-T20 PolarHBondContact O-N 3Å; A16-T20 PolarHBondContact O-OG1 2.62Å
17	L	39.1	Very low	50.7	Low	98 Å²	98	90.5 Å²	90.5	51%	0.513	49%	0.494	S	S	.	.	H	α-helix	trans	-65.6	-38.4	174.9	-80.5	161.2	0	0	0	112.1	L13 T20 Q21	L13-L17 VanDerWaalsContact O-CB 3.22Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 WeakPolarHBondContact O-CD1 3.45Å; L13-L17 VanDerWaalsContact O-CG 3.28Å; L13-L17 WeakPolarHBondContact O-CG 3.23Å; L13-L17 PolarHBondContact O-N 2.97Å; L17-T20 WeakPolarHBondContact CA-OG1 3.34Å; L17-T20 PolarHBondContact O-N 2.96Å; L17-T20 PolarHBondContact O-OG1 2.89Å; L17-Q21 WeakPolarHBondContact O-CB 3.48Å; L17-Q21 PolarHBondContact O-N 3.03Å
18	A	39.2	Very low	53.2	Low	47 Å²	47	81.9 Å²	81.9	39%	0.388	47%	0.465	S	S	.	.	H	α-helix	trans	-63.7	-43.9	175.5	0	0	0	0	0	111.4	L14 G15 T20 Q21 T22	L14-A18 WeakPolarHBondContact O-CB 3.36Å; L14-A18 PolarHBondContact O-N 3.42Å; G15-A18 PolarHBondContact O-N 2.8Å; A18-T20 VanDerWaalsContact C-N 3.34Å; A18-T20 PolarHBondContact O-N 3.29Å; A18-Q21 PolarHBondContact O-N 3.41Å; A18-T22 VanDerWaalsContact O-CG2 3.3Å; A18-T22 WeakPolarHBondContact O-CG2 3.26Å; A18-T22 PolarHBondContact O-N 2.88Å; A18-T22 PolarHBondContact O-OG1 3.37Å
19	L	39.6	Very low	55.5	Low	115 Å²	115	77.2 Å²	77.2	60%	0.602	44%	0.437	S	S	*	.	H	α-helix	trans	-63.1	-35.7	173.6	-93.8	131.5	0	0	0	112.7	G15 A16	G15-L19 WeakPolarHBondContact O-CD1 3.38Å; G15-L19 PolarHBondContact O-N 3.37Å; A16-L19 PolarHBondContact O-N 3.1Å
20	T	41.7	Very low	58	Low	77 Å²	77	74.7 Å²	74.7	47%	0.472	42%	0.42	S	S	.	.	H	α-helix	trans	-73.1	-29.6	174.7	56	0	0	0	0	113.6	A16 L17 A18	A16-T20 WeakPolarHBondContact O-CG2 3.19Å; A16-T20 PolarHBondContact O-N 3Å; A16-T20 PolarHBondContact O-OG1 2.62Å; L17-T20 WeakPolarHBondContact CA-OG1 3.34Å; L17-T20 PolarHBondContact O-N 2.96Å; L17-T20 PolarHBondContact O-OG1 2.89Å; A18-T20 VanDerWaalsContact C-N 3.34Å; A18-T20 PolarHBondContact O-N 3.29Å
21	Q	39.1	Very low	60.8	Low	161 Å²	161	70.2 Å²	70.2	75%	0.752	40%	0.396	S	S	*	.	H	α-helix	trans	-84	-24.9	-179.5	-93.2	-176.1	-19.2	0	0	113.8	L17 A18	L17-Q21 WeakPolarHBondContact O-CB 3.48Å; L17-Q21 PolarHBondContact O-N 3.03Å; A18-Q21 PolarHBondContact O-N 3.41Å
22	T	44	Very low	63.1	Low	94 Å²	94	68.6 Å²	68.6	58%	0.577	38%	0.384	S	S	*	.	H	α-helix	trans	-81.1	-14.7	-177.4	54.2	0	0	0	0	114.1	A18	A18-T22 VanDerWaalsContact O-CG2 3.3Å; A18-T22 WeakPolarHBondContact O-CG2 3.26Å; A18-T22 PolarHBondContact O-N 2.88Å; A18-T22 PolarHBondContact O-OG1 3.37Å
23	W	48.8	Very low	65.6	Low	141 Å²	141	62.8 Å²	62.8	53%	0.534	35%	0.353	S	S	.	.	H	α-helix	trans	-113.1	-21.4	-172.6	-69.1	78.8	0	0	0	114.8	G25 S26	W23-G25 PolarHBondContact O-N 3.21Å; W23-S26 PolarHBondContact O-N 3.28Å; W23-S26 PolarHBondContact O-OG 3.45Å
24	A	59.7	Low	68.3	Low	53 Å²	53	60.1 Å²	60.1	44%	0.438	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	111	178.8	0	0	0	0	0	110.3	P129	A24-P129 WeakPolarHBondContact O-CG 3.32Å
25	G	79.2	Confident	71.1	Confident	26 Å²	26	55.4 Å²	55.4	27%	0.268	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	80	15.3	176.5	0	0	0	0	0	116.6	W23 P129	W23-G25 PolarHBondContact O-N 3.21Å; G25-P129 VanDerWaalsContact O-CA 3.24Å; G25-P129 WeakPolarHBondContact O-CA 3.47Å; G25-P129 WeakPolarHBondContact O-CG 3.34Å
26	S	92.1	Very high	73.8	Confident	36 Å²	36	56.3 Å²	56.3	25%	0.252	32%	0.315	S	S	.	.			trans	-84.2	144.3	163.6	60.4	0	0	0	0	110.5	W23 V127	W23-S26 PolarHBondContact O-N 3.28Å; W23-S26 PolarHBondContact O-OG 3.45Å; S26-V127 VanDerWaalsContact CA-O 3.31Å; S26-V127 WeakPolarHBondContact CA-O 3.16Å
27	H	96	Very high	76.4	Confident	31 Å²	31	55.2 Å²	55.2	14%	0.144	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	157.4	-180	-66.7	-77.7	0	0	0	111.2	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 3.47Å; H27-D53 IonicContact CE1-OD2 2.79Å; H27-D53 IonicContact CG-OD2 2.82Å; H27-D53 IonicContact ND1-OD1 3.87Å; H27-D53 IonicContact ND1-OD2 3.7Å; H27-D53 PolarHBondContact ND1-OD2 3.19Å; H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.43Å; H27-V127 HydrophobicContact CB-CG2 4.05Å; H27-V127 PolarHBondContact N-O 3.47Å; H27-V127 PolarHBondContact O-N 3.16Å; H27-L192 HydrophobicContact CB-CD1 4.44Å; H27-L196 HydrophobicContact CB-CD1 3.65Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.26Å
28	S	97.9	Very high	79.1	Confident	23 Å²	23	54 Å²	54	16%	0.161	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148.1	179.8	64.3	0	0	0	0	111.6	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.58Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.49Å; S28-D53 PolarHBondContact N-OD1 2.9Å; S28-D53 PolarHBondContact O-N 3.03Å; S28-D53 PolarHBondContact OG-OD1 2.86Å; S28-C125 CarbonylContact C-O 3.5Å; S28-C125 WeakPolarHBondContact CA-O 3.26Å; S28-D126 WeakPolarHBondContact CB-OD1 3.49Å
29	M	98.6	Very high	81.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	123.4	165.4	-173.7	169.3	62.7	0	0	108.2	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.14Å; M29-Y31 HydrophobicContact CG-CE2 4.04Å; M29-Y31 HydrophobicContact SD-CE2 4.01Å; M29-Y51 CarbonylContact C-O 3.57Å; M29-Y51 WeakPolarHBondContact CA-O 3.22Å; M29-V52 HydrophobicContact CG-CG2 4.38Å; M29-F57 HydrophobicContact CG-CE1 4.43Å; M29-F57 HydrophobicContact SD-CZ 4.32Å; M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.32Å; M29-C125 PolarHBondContact N-O 2.87Å; M29-C125 PolarHBondContact O-N 3.29Å; M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 WeakPolarHBondContact CE-O 3.49Å; M29-C188 WeakPolarHBondContact CE-SG 3.46Å; M29-W191 HydrophobicContact CE-CB 4.11Å; M29-W191 HydrophobicContact SD-CB 4.48Å; M29-L192 HydrophobicContact CB-CB 4.07Å; M29-L192 HydrophobicContact CB-CD1 4.01Å; M29-L192 HydrophobicContact CB-CD2 4.08Å; M29-L192 HydrophobicContact CB-CG 4.26Å; M29-L192 HydrophobicContact CE-CB 4.42Å; M29-L192 HydrophobicContact SD-CB 4.47Å; M29-Y195 HydrophobicContact SD-CD2 3.69Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å
30	R	98.6	Very high	84.2	Confident	47 Å²	47	53.2 Å²	53.2	18%	0.177	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.8	-177.3	-57.6	-63.8	-178.6	77.6	5.7	110.7	F32 G50 Y51 Y123 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.44Å; R30-F32 HydrophobicContact CB-CE2 3.6Å; R30-F32 HydrophobicContact CB-CZ 3.92Å; R30-G50 CarbonylContact O-C 3.54Å; R30-G50 WeakPolarHBondContact O-CA 3.23Å; R30-Y51 PolarHBondContact N-O 2.82Å; R30-Y51 PolarHBondContact O-N 2.87Å; R30-Y123 WeakPolarHBondContact CA-O 3.42Å; R30-D126 IonicContact CZ-OD1 3.58Å; R30-D126 IonicContact NE-OD1 3.89Å; R30-D126 PolarHBondContact NE-OD1 3.07Å; R30-D126 VanDerWaalsContact NE-OD1 3.16Å; R30-D126 VanDerWaalsContact NH2-CG 3.27Å; R30-D126 IonicContact NH2-OD1 3.66Å; R30-D126 PolarHBondContact NH2-OD1 2.8Å; R30-D126 IonicContact NH2-OD2 2.98Å; R30-D126 PolarHBondContact NH2-OD2 3.02Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.34Å; R30-Y137 PolarHBondContact NH2-OH 3.44Å
31	Y	98.8	Very high	86.7	Confident	8 Å²	8	59.6 Å²	59.6	3%	0.031	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136.8	170.3	-70.4	-90.6	0	0	0	109.3	M29 F33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.14Å; M29-Y31 HydrophobicContact CG-CE2 4.04Å; M29-Y31 HydrophobicContact SD-CE2 4.01Å; Y31-F33 HydrophobicContact CD1-CE1 4.34Å; Y31-V49 CarbonylContact C-O 3.57Å; Y31-V49 WeakPolarHBondContact CA-O 3.4Å; Y31-F57 AromaticContact CE1-CZ 3.99Å; Y31-F57 HydrophobicContact CE1-CZ 3.99Å; Y31-F57 HydrophobicContact CE2-CZ 4.48Å; Y31-F57 AromaticContact CZ-CZ 3.73Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.34Å; Y31-V58 HydrophobicContact CE1-CG2 3.98Å; Y31-M122 WeakPolarHBondContact O-CA 3.15Å; Y31-Y123 HydrophobicContact CD2-CE1 4.37Å; Y31-Y123 AromaticContact CD2-CE2 3.94Å; Y31-Y123 HydrophobicContact CD2-CE2 3.94Å; Y31-Y123 AromaticContact CD2-CZ 3.79Å; Y31-Y123 HydrophobicContact CG-CE1 4.01Å; Y31-Y123 HydrophobicContact CG-CE2 4.38Å; Y31-Y123 AromaticContact CG-CZ 3.77Å; Y31-Y123 PolarHBondContact N-O 3.05Å; Y31-Y123 PolarHBondContact O-N 2.89Å; Y31-Y123 VanDerWaalsContact O-N 3.1Å
32	F	98.8	Very high	89.3	Confident	85 Å²	85	54.8 Å²	54.8	37%	0.373	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.4	178.4	-57	-96	0	0	0	109.2	R30 A48 V49 Y51 M121 M122	R30-F32 HydrophobicContact CB-CD2 4.44Å; R30-F32 HydrophobicContact CB-CE2 3.6Å; R30-F32 HydrophobicContact CB-CZ 3.92Å; F32-A48 WeakPolarHBondContact O-CA 3.35Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.3Å; F32-V49 PolarHBondContact N-O 3.44Å; F32-V49 PolarHBondContact O-N 2.83Å; F32-Y51 HydrophobicContact CD2-CD2 4.17Å; F32-Y51 HydrophobicContact CE2-CD2 4.21Å; F32-M121 CarbonylContact C-O 3.56Å; F32-M121 WeakPolarHBondContact CA-O 3.46Å; F32-M122 HydrophobicContact CD1-CB 3.92Å; F32-M122 HydrophobicContact CD1-CG 3.64Å; F32-M122 HydrophobicContact CE1-CB 4.07Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CG-CG 4.49Å; F32-M122 HydrophobicContact CZ-CG 3.99Å
33	F	98.7	Very high	91.7	Very high	6 Å²	6	54.8 Å²	54.8	3%	0.026	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	138.6	177.6	-57.9	-16.9	0	0	0	109.5	Y31 F46 I47 A48 V91 H94 Q120 M121 Y123	Y31-F33 HydrophobicContact CD1-CE1 4.34Å; F33-F46 HydrophobicContact CB-CE2 3.87Å; F33-F46 HydrophobicContact CB-CZ 3.96Å; F33-F46 HydrophobicContact CD1-CZ 4.19Å; F33-F46 HydrophobicContact CD2-CE2 4.37Å; F33-F46 HydrophobicContact CD2-CZ 4.01Å; F33-F46 HydrophobicContact CG-CE2 4.19Å; F33-F46 AromaticContact CG-CZ 3.81Å; F33-F46 HydrophobicContact CG-CZ 3.81Å; F33-I47 CarbonylContact C-O 3.58Å; F33-I47 WeakPolarHBondContact CA-O 3.43Å; F33-A48 HydrophobicContact CD1-CB 3.23Å; F33-A48 HydrophobicContact CE1-CB 3.39Å; F33-A48 HydrophobicContact CG-CB 4.2Å; F33-A48 HydrophobicContact CZ-CB 4.4Å; F33-V91 HydrophobicContact CZ-CG1 4.3Å; F33-H94 AromaticContact CD2-CD2 3.36Å; F33-H94 WeakPolarHBondContact CD2-CD2 3.29Å; F33-H94 AromaticContact CD2-CE1 3.95Å; F33-H94 AromaticContact CD2-CG 3.8Å; F33-H94 AromaticContact CD2-NE2 3.44Å; F33-H94 WeakPolarHBondContact CD2-NE2 3.42Å; F33-H94 HydrophobicContact CE2-CB 4.32Å; F33-H94 AromaticContact CE2-CD2 3.8Å; F33-H94 AromaticContact CE2-CG 3.72Å; F33-H94 AromaticContact CE2-ND1 3.95Å; F33-Q120 CarbonylContact O-C 3.59Å; F33-Q120 VanDerWaalsContact O-CA 3.29Å; F33-Q120 WeakPolarHBondContact O-CA 3.38Å; F33-M121 HydrophobicContact CB-CB 4.32Å; F33-M121 HydrophobicContact CD2-CE 3.56Å; F33-M121 HydrophobicContact CD2-SD 4.37Å; F33-M121 HydrophobicContact CE2-CE 3.7Å; F33-M121 PolarHBondContact N-O 2.88Å; F33-M121 PolarHBondContact O-N 3.33Å; F33-Y123 HydrophobicContact CD2-CE1 4.19Å; F33-Y123 HydrophobicContact CE1-CE1 4.09Å; F33-Y123 AromaticContact CE2-CE1 3.58Å; F33-Y123 HydrophobicContact CE2-CE1 3.58Å; F33-Y123 AromaticContact CZ-CE1 3.54Å; F33-Y123 HydrophobicContact CZ-CE1 3.54Å; F33-Y123 AromaticContact CZ-CZ 3.95Å; F33-Y123 WeakPolarHBondContact CZ-OH 3.46Å
34	T	98.8	Very high	94	Very high	40 Å²	40	49.2 Å²	49.2	25%	0.245	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	122.6	178.1	-58.1	0	0	0	0	109.4	V36 F46 I47 T118 I119 Q120	T34-V36 HydrophobicContact CG2-CG2 3.99Å; T34-F46 WeakPolarHBondContact O-CA 3.45Å; T34-I47 PolarHBondContact N-O 3.45Å; T34-I47 PolarHBondContact O-N 3.16Å; T34-T118 HydrophobicContact CG2-CG2 3.97Å; T34-I119 WeakPolarHBondContact CA-O 3.06Å; T34-Q120 HydrophobicContact CG2-CG 4.16Å
35	S	98.7	Very high	95.8	Very high	2 Å²	2	51 Å²	51	1%	0.014	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.7	175.6	-79.9	0	0	0	0	110.6	R45 F46 D98 T118 I119	S35-R45 CarbonylContact C-O 3.5Å; S35-R45 WeakPolarHBondContact CA-O 3.3Å; S35-F46 VanDerWaalsContact OG-CD2 3.28Å; S35-F46 WeakPolarHBondContact OG-CD2 3.36Å; S35-D98 WeakPolarHBondContact CB-OD2 3.36Å; S35-D98 WeakPolarHBondContact OG-CB 3.23Å; S35-D98 VanDerWaalsContact OG-CG 3.3Å; S35-D98 PolarHBondContact OG-OD2 2.87Å; S35-T118 CarbonylContact O-C 3.57Å; S35-T118 VanDerWaalsContact O-CA 3.28Å; S35-T118 WeakPolarHBondContact O-CA 3.27Å; S35-I119 PolarHBondContact N-O 2.87Å; S35-I119 PolarHBondContact O-N 2.74Å
36	V	98.6	Very high	96.8	Very high	53 Å²	53	49.9 Å²	49.9	32%	0.321	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	114.8	179.7	-172.6	0	0	0	0	109.8	T34 P44 R45 T118	T34-V36 HydrophobicContact CG2-CG2 3.99Å; V36-P44 CarbonylContact O-C 3.5Å; V36-P44 WeakPolarHBondContact O-CA 3.33Å; V36-R45 PolarHBondContact N-O 3.17Å; V36-R45 PolarHBondContact O-N 2.93Å; V36-T118 HydrophobicContact CG2-CG2 4.14Å
37	S	97.9	Very high	97.1	Very high	16 Å²	16	50.4 Å²	50.4	11%	0.112	27%	0.274	C	S	.	.			trans	-69.7	143.2	173.7	79.9	0	0	0	0	110.6	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.31Å; S37-S116 PolarHBondContact O-OG 2.86Å; S37-H117 PolarHBondContact N-O 3.04Å; S37-H117 PolarHBondContact OG-N 3.31Å; S37-H117 PolarHBondContact OG-O 3.43Å
38	R	96.3	Very high	97.2	Very high	74 Å²	74	49 Å²	49	28%	0.279	27%	0.268	S	S	.	.			trans	-136.5	73.5	-178.8	53.1	175.1	176.2	-160.5	-7.9	111.2	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.19Å; R38-R41 HydrophobicContact CB-CB 4.12Å; R38-R41 WeakPolarHBondContact CD-O 3.38Å; R38-R41 HydrophobicContact CG-CB 4.16Å; R38-R41 PolarHBondContact NE-O 3.33Å; R38-R41 PolarHBondContact O-N 2.98Å; R38-E43 VanDerWaalsContact CZ-O 3.32Å; R38-E43 PolarHBondContact NE-O 3Å; R38-E43 PolarHBondContact NH2-O 3.01Å; R38-E43 VanDerWaalsContact NH2-O 3.09Å; R38-D63 IonicContact CZ-OD1 3.45Å; R38-D63 IonicContact CZ-OD2 3.68Å; R38-D63 IonicContact NH1-OD1 3.28Å; R38-D63 PolarHBondContact NH1-OD1 3.18Å; R38-D63 IonicContact NH1-OD2 2.76Å; R38-D63 PolarHBondContact NH1-OD2 3.16Å; R38-D63 IonicContact NH2-OD1 2.77Å; R38-D63 PolarHBondContact NH2-OD1 2.98Å; R38-D63 IonicContact NH2-OD2 3.76Å
39	P	93.8	Very high	97.2	Very high	56 Å²	56	49.3 Å²	49.3	36%	0.364	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	131.5	-176.9	-27	34.5	0	0	0	112.5	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.16Å; P39-E113 VanDerWaalsContact CB-O 3.3Å; P39-E113 WeakPolarHBondContact CB-O 3.13Å; P39-E113 WeakPolarHBondContact CG-O 3.37Å; P39-G115 WeakPolarHBondContact CG-O 3.5Å
40	G	92.6	Very high	97.3	Very high	89 Å²	89	49.3 Å²	49.3	92%	0.918	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	2.2	-177.6	0	0	0	0	0	115.8	R38	R38-G40 PolarHBondContact O-N 3.19Å
41	R	94.1	Very high	97.3	Very high	211 Å²	211	50.4 Å²	50.4	80%	0.796	27%	0.274	S	S	*	.	S	Bend	trans	-123.9	24.5	179.6	-58.6	-174.9	-178.3	176.4	1.4	113.4	R38 P39	R38-R41 HydrophobicContact CB-CB 4.12Å; R38-R41 WeakPolarHBondContact CD-O 3.38Å; R38-R41 HydrophobicContact CG-CB 4.16Å; R38-R41 PolarHBondContact NE-O 3.33Å; R38-R41 PolarHBondContact O-N 2.98Å; P39-R41 PolarHBondContact O-N 3.16Å
42	G	92.4	Very high	97.2	Very high	59 Å²	59	50 Å²	50	61%	0.608	27%	0.272	S	S	*	.	S	Bend	trans	95.3	-161.6	178.9	0	0	0	0	0	113.7
43	E	94.9	Very high	97.1	Very high	95 Å²	95	47.6 Å²	47.6	44%	0.444	26%	0.263	S	S	.	.	S	Bend	trans	-68.9	154.4	-178.9	-68	-66.5	180	0	0	112.2	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.32Å; R38-E43 PolarHBondContact NE-O 3Å; R38-E43 PolarHBondContact NH2-O 3.01Å; R38-E43 VanDerWaalsContact NH2-O 3.09Å; E43-R45 PolarHBondContact O-N 3.24Å; E43-R99 VanDerWaalsContact CD-NH1 3.34Å; E43-R99 IonicContact OE1-CZ 2.99Å; E43-R99 IonicContact OE1-NH1 3.68Å; E43-R99 PolarHBondContact OE1-NH1 3.38Å; E43-R99 WeakPolarHBondContact OE2-CD 3.49Å; E43-R99 IonicContact OE2-NE 2.74Å; E43-R99 IonicContact OE2-NH1 3.2Å
44	P	97.4	Very high	96.9	Very high	24 Å²	24	50.4 Å²	50.4	16%	0.156	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-50.7	137.7	173.7	-25.9	34.9	0	0	0	111.9	V36 R99 L102	V36-P44 CarbonylContact O-C 3.5Å; V36-P44 WeakPolarHBondContact O-CA 3.33Å; P44-R99 HydrophobicContact CG-CG 4.24Å; P44-L102 HydrophobicContact CB-CD1 3.69Å; P44-L102 HydrophobicContact CG-CD1 3.67Å
45	R	98.3	Very high	96.7	Very high	91 Å²	91	49.7 Å²	49.7	34%	0.343	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	126.7	173.2	-175.8	-179.2	-177.7	-176.1	-1.5	108.6	S35 V36 E43 I47 D61 S62 D63	S35-R45 CarbonylContact C-O 3.5Å; S35-R45 WeakPolarHBondContact CA-O 3.3Å; V36-R45 PolarHBondContact N-O 3.17Å; V36-R45 PolarHBondContact O-N 2.93Å; E43-R45 PolarHBondContact O-N 3.24Å; R45-I47 HydrophobicContact CG-CG1 4.38Å; R45-D61 IonicContact CZ-OD1 3.81Å; R45-D61 IonicContact CZ-OD2 3.55Å; R45-D61 IonicContact NE-OD1 3.95Å; R45-D61 PolarHBondContact NE-OD1 2.89Å; R45-D61 VanDerWaalsContact NE-OD1 3.09Å; R45-D61 IonicContact NE-OD2 3.99Å; R45-D61 IonicContact NH2-OD1 3.61Å; R45-D61 PolarHBondContact NH2-OD1 2.89Å; R45-D61 IonicContact NH2-OD2 2.77Å; R45-D61 PolarHBondContact NH2-OD2 3.47Å; R45-S62 WeakPolarHBondContact CA-OG 3.43Å; R45-D63 WeakPolarHBondContact CD-OD2 3.39Å; R45-D63 IonicContact NE-OD2 2.77Å
46	F	98.6	Very high	96.7	Very high	1 Å²	1	52.1 Å²	52.1	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.1	176.8	177.9	-92	0	0	0	110	F33 T34 S35 A48 F60 S62 V91 H94 S95 D98	F33-F46 HydrophobicContact CB-CE2 3.87Å; F33-F46 HydrophobicContact CB-CZ 3.96Å; F33-F46 HydrophobicContact CD1-CZ 4.19Å; F33-F46 HydrophobicContact CD2-CE2 4.37Å; F33-F46 HydrophobicContact CD2-CZ 4.01Å; F33-F46 HydrophobicContact CG-CE2 4.19Å; F33-F46 AromaticContact CG-CZ 3.81Å; F33-F46 HydrophobicContact CG-CZ 3.81Å; T34-F46 WeakPolarHBondContact O-CA 3.45Å; S35-F46 VanDerWaalsContact OG-CD2 3.28Å; S35-F46 WeakPolarHBondContact OG-CD2 3.36Å; F46-A48 HydrophobicContact CE1-CB 3.62Å; F46-A48 HydrophobicContact CZ-CB 3.92Å; F46-F60 AromaticContact CD1-CD1 3.67Å; F46-F60 HydrophobicContact CD1-CD1 3.67Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.99Å; F46-F60 HydrophobicContact CE1-CD1 3.99Å; F46-F60 HydrophobicContact CE1-CE1 4.38Å; F46-S62 PolarHBondContact N-OG 3.43Å; F46-S62 PolarHBondContact O-N 3.22Å; F46-S62 PolarHBondContact O-OG 3.06Å; F46-V91 HydrophobicContact CE1-CB 4.1Å; F46-H94 AromaticContact CE2-CD2 3.76Å; F46-H94 HydrophobicContact CZ-CB 4.46Å; F46-S95 WeakPolarHBondContact CB-OG 3.35Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.34Å
47	I	98.7	Very high	96.7	Very high	48 Å²	48	49.6 Å²	49.6	25%	0.246	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.2	174.3	-60.8	171.1	0	0	0	107.7	F33 T34 R45 V49 F60	F33-I47 CarbonylContact C-O 3.58Å; F33-I47 WeakPolarHBondContact CA-O 3.43Å; T34-I47 PolarHBondContact N-O 3.45Å; T34-I47 PolarHBondContact O-N 3.16Å; R45-I47 HydrophobicContact CG-CG1 4.38Å; I47-V49 HydrophobicContact CG2-CG1 4.39Å; I47-F60 WeakPolarHBondContact CA-O 3.39Å
48	A	98.8	Very high	96.7	Very high	2 Å²	2	48.9 Å²	48.9	2%	0.017	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	138.1	172	0	0	0	0	0	110.2	F32 F33 F46 R59 F60 V91	F32-A48 WeakPolarHBondContact O-CA 3.35Å; F33-A48 HydrophobicContact CD1-CB 3.23Å; F33-A48 HydrophobicContact CE1-CB 3.39Å; F33-A48 HydrophobicContact CG-CB 4.2Å; F33-A48 HydrophobicContact CZ-CB 4.4Å; F46-A48 HydrophobicContact CE1-CB 3.62Å; F46-A48 HydrophobicContact CZ-CB 3.92Å; A48-R59 CarbonylContact O-C 3.59Å; A48-R59 VanDerWaalsContact O-CA 3.29Å; A48-R59 WeakPolarHBondContact O-CA 3.16Å; A48-F60 HydrophobicContact CB-CB 4.22Å; A48-F60 PolarHBondContact N-O 3.05Å; A48-F60 PolarHBondContact O-N 3.36Å; A48-V91 HydrophobicContact CB-CG1 4.24Å
49	V	98.8	Very high	96.8	Very high	29 Å²	29	49.6 Å²	49.6	18%	0.176	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	144.2	173.9	-62.5	0	0	0	0	109.9	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 CarbonylContact C-O 3.57Å; Y31-V49 WeakPolarHBondContact CA-O 3.4Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.3Å; F32-V49 PolarHBondContact N-O 3.44Å; F32-V49 PolarHBondContact O-N 2.83Å; I47-V49 HydrophobicContact CG2-CG1 4.39Å; V49-Y51 HydrophobicContact CB-CE2 4.09Å; V49-Y51 HydrophobicContact CG2-CD2 4.34Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.28Å; V49-V58 WeakPolarHBondContact CA-O 3.34Å; V49-R59 HydrophobicContact CG1-CB 4.47Å; V49-R59 HydrophobicContact CG1-CG 4.19Å
50	G	98.7	Very high	97	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.6	176	0	0	0	0	0	110.5	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.54Å; R30-G50 WeakPolarHBondContact O-CA 3.23Å; G50-Q56 WeakPolarHBondContact O-CA 3.34Å; G50-Q56 WeakPolarHBondContact O-CG 3.47Å; G50-F57 WeakPolarHBondContact O-CD1 3.43Å; G50-F57 PolarHBondContact O-N 3.22Å; G50-V58 PolarHBondContact N-O 2.93Å; G50-V58 VanDerWaalsContact N-O 3.11Å; G50-V58 PolarHBondContact O-N 2.94Å
51	Y	98.6	Very high	97.3	Very high	70 Å²	70	43.6 Å²	43.6	28%	0.275	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	141.1	178.7	-76.2	-102.4	0	0	0	110.4	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.57Å; M29-Y51 WeakPolarHBondContact CA-O 3.22Å; R30-Y51 PolarHBondContact N-O 2.82Å; R30-Y51 PolarHBondContact O-N 2.87Å; F32-Y51 HydrophobicContact CD2-CD2 4.17Å; F32-Y51 HydrophobicContact CE2-CD2 4.21Å; V49-Y51 HydrophobicContact CB-CE2 4.09Å; V49-Y51 HydrophobicContact CG2-CD2 4.34Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; Y51-T55 WeakPolarHBondContact CA-O 3.02Å; Y51-T55 VanDerWaalsContact CD1-C 3.46Å; Y51-Q56 HydrophobicContact CD1-CB 4.02Å; Y51-Q56 VanDerWaalsContact CD1-N 3.28Å; Y51-Q56 HydrophobicContact CD2-CG 4.36Å; Y51-Q56 HydrophobicContact CE1-CB 3.52Å; Y51-Q56 HydrophobicContact CE1-CG 4.26Å; Y51-Q56 HydrophobicContact CE2-CB 4.07Å; Y51-Q56 HydrophobicContact CE2-CG 3.87Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å
52	V	98.3	Very high	97.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.7	155.8	177.2	0	0	0	0	105.9	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.58Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.49Å; M29-V52 HydrophobicContact CG-CG2 4.38Å; V52-D54 PolarHBondContact O-N 3.35Å; V52-T55 PolarHBondContact N-O 2.8Å; V52-T55 WeakPolarHBondContact O-CB 3.47Å; V52-T55 PolarHBondContact O-N 2.98Å; V52-F57 HydrophobicContact CG2-CD1 4.02Å; V52-F57 HydrophobicContact CG2-CE1 4.04Å; V52-W75 HydrophobicContact CB-CH2 4.46Å; V52-W75 HydrophobicContact CG2-CH2 3.92Å; V52-W75 HydrophobicContact CG2-CZ2 4.47Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; V52-Y195 HydrophobicContact CG2-CD2 3.95Å; V52-Y195 HydrophobicContact CG2-CG 4.48Å; V52-L196 HydrophobicContact CG1-CD2 4.02Å; V52-L203 HydrophobicContact CB-CD1 4.24Å; V52-L203 HydrophobicContact CB-CD2 4.08Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.48Å
53	D	95.8	Very high	97.8	Very high	33 Å²	33	35.1 Å²	35.1	18%	0.176	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	-125	-167.5	-54.1	-41.4	0	0	0	110.7	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 3.47Å; H27-D53 IonicContact CE1-OD2 2.79Å; H27-D53 IonicContact CG-OD2 2.82Å; H27-D53 IonicContact ND1-OD1 3.87Å; H27-D53 IonicContact ND1-OD2 3.7Å; H27-D53 PolarHBondContact ND1-OD2 3.19Å; S28-D53 PolarHBondContact N-OD1 2.9Å; S28-D53 PolarHBondContact O-N 3.03Å; S28-D53 PolarHBondContact OG-OD1 2.86Å; D53-T55 VanDerWaalsContact C-N 3.31Å; D53-T55 PolarHBondContact O-N 2.79Å
54	D	94.4	Very high	97.9	Very high	66 Å²	66	32 Å²	32	35%	0.353	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	12	179.3	-58.3	-56.7	0	0	0	113.5	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.35Å; D54-Y233 HydrophobicContact CB-CE2 4.39Å; D54-P234 WeakPolarHBondContact OD2-CB 3.29Å; D54-A235 HydrophobicContact CB-CB 4.26Å; D54-A235 VanDerWaalsContact CG-CB 3.49Å; D54-A235 VanDerWaalsContact OD2-CB 3.28Å; D54-A235 WeakPolarHBondContact OD2-CB 3.36Å; D54-A235 PolarHBondContact OD2-N 2.75Å; D54-F265 HydrophobicContact CB-CE2 3.8Å; D54-F265 HydrophobicContact CB-CZ 3.62Å
55	T	95.8	Very high	97.8	Very high	25 Å²	25	36.4 Å²	36.4	15%	0.153	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	112.2	-174	-56.2	0	0	0	0	112.2	Y51 V52 D53 F57 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.02Å; Y51-T55 VanDerWaalsContact CD1-C 3.46Å; V52-T55 PolarHBondContact N-O 2.8Å; V52-T55 WeakPolarHBondContact O-CB 3.47Å; V52-T55 PolarHBondContact O-N 2.98Å; D53-T55 VanDerWaalsContact C-N 3.31Å; D53-T55 PolarHBondContact O-N 2.79Å; T55-F57 PolarHBondContact O-N 3.17Å; T55-L203 HydrophobicContact CG2-CD2 4.05Å; T55-Y233 PolarHBondContact OG1-OH 3.01Å; T55-Y233 VanDerWaalsContact OG1-OH 3.04Å
56	Q	97.4	Very high	97.6	Very high	53 Å²	53	34.8 Å²	34.8	25%	0.248	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	129.9	174.5	-166.2	178.5	-2.7	0	0	110.4	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.28Å; G50-Q56 WeakPolarHBondContact O-CA 3.34Å; G50-Q56 WeakPolarHBondContact O-CG 3.47Å; Y51-Q56 HydrophobicContact CD1-CB 4.02Å; Y51-Q56 VanDerWaalsContact CD1-N 3.28Å; Y51-Q56 HydrophobicContact CD2-CG 4.36Å; Y51-Q56 HydrophobicContact CE1-CB 3.52Å; Y51-Q56 HydrophobicContact CE1-CG 4.26Å; Y51-Q56 HydrophobicContact CE2-CB 4.07Å; Y51-Q56 HydrophobicContact CE2-CG 3.87Å; Y51-Q56 HydrophobicContact CG-CB 4.47Å; Q56-V58 PolarHBondContact NE2-O 3.08Å; Q56-V58 VanDerWaalsContact NE2-O 3.14Å; Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.11Å; Q56-R72 HydrophobicContact CG-CG 4.31Å
57	F	98.2	Very high	97.4	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	-23.1	179.9	74.5	-82.8	0	0	0	114.1	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.43Å; M29-F57 HydrophobicContact SD-CZ 4.32Å; Y31-F57 AromaticContact CE1-CZ 3.99Å; Y31-F57 HydrophobicContact CE1-CZ 3.99Å; Y31-F57 HydrophobicContact CE2-CZ 4.48Å; Y31-F57 AromaticContact CZ-CZ 3.73Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.34Å; G50-F57 WeakPolarHBondContact O-CD1 3.43Å; G50-F57 PolarHBondContact O-N 3.22Å; V52-F57 HydrophobicContact CG2-CD1 4.02Å; V52-F57 HydrophobicContact CG2-CE1 4.04Å; T55-F57 PolarHBondContact O-N 3.17Å; F57-R72 PolarHBondContact O-N 2.67Å; F57-A73 HydrophobicContact CB-CB 4.13Å; F57-W75 HydrophobicContact CB-CH2 3.14Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 3.98Å; F57-W75 HydrophobicContact CD1-CH2 4.07Å; F57-W75 AromaticContact CD2-CH2 3.8Å; F57-W75 HydrophobicContact CD2-CH2 3.8Å; F57-W75 HydrophobicContact CD2-CZ3 4.1Å; F57-W75 AromaticContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CH2 3.44Å; F57-W75 VanDerWaalsContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CZ2 4.1Å; F57-W75 HydrophobicContact CG-CZ3 4.19Å; F57-I76 HydrophobicContact CD2-CB 4.43Å; F57-I76 HydrophobicContact CD2-CD1 3.96Å; F57-I76 HydrophobicContact CD2-CG1 4.01Å; F57-I76 HydrophobicContact CE2-CD1 4.31Å; F57-I76 VanDerWaalsContact O-CG2 3.26Å; F57-I76 WeakPolarHBondContact O-CG2 3.41Å; F57-Y195 HydrophobicContact CD2-CE2 4.45Å; F57-Y195 HydrophobicContact CE2-CD2 4.21Å; F57-Y195 AromaticContact CE2-CE2 3.62Å; F57-Y195 HydrophobicContact CE2-CE2 3.62Å; F57-Y195 AromaticContact CE2-CZ 3.97Å; F57-Y195 HydrophobicContact CZ-CD2 4.26Å; F57-Y195 AromaticContact CZ-CE2 3.76Å; F57-Y195 HydrophobicContact CZ-CE2 3.76Å
58	V	98.6	Very high	97.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	155.3	176.7	-72.2	0	0	0	0	112.9	Y31 V49 G50 Q56 M69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.98Å; V49-V58 WeakPolarHBondContact CA-O 3.34Å; G50-V58 PolarHBondContact N-O 2.93Å; G50-V58 VanDerWaalsContact N-O 3.11Å; G50-V58 PolarHBondContact O-N 2.94Å; Q56-V58 PolarHBondContact NE2-O 3.08Å; Q56-V58 VanDerWaalsContact NE2-O 3.14Å; V58-M69 HydrophobicContact CB-CG 4.1Å; V58-M69 HydrophobicContact CB-SD 3.68Å; V58-M69 HydrophobicContact CG1-CG 4.15Å; V58-M69 HydrophobicContact CG1-SD 4.38Å; V58-M69 HydrophobicContact CG2-CE 4.46Å; V58-M69 HydrophobicContact CG2-SD 4.14Å; V58-E70 WeakPolarHBondContact CA-O 3.43Å; V58-I76 HydrophobicContact CG1-CG1 4.37Å; V58-W84 HydrophobicContact CG1-CH2 4.11Å; V58-W84 HydrophobicContact CG1-CZ3 3.88Å
59	R	98.6	Very high	97.4	Very high	90 Å²	90	44.2 Å²	44.2	34%	0.34	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	142.7	172.8	179.9	172.5	166.8	-176.8	-3.3	111.4	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.59Å; A48-R59 VanDerWaalsContact O-CA 3.29Å; A48-R59 WeakPolarHBondContact O-CA 3.16Å; V49-R59 HydrophobicContact CG1-CB 4.47Å; V49-R59 HydrophobicContact CG1-CG 4.19Å; R59-D61 IonicContact NH2-OD2 2.82Å; R59-D61 PolarHBondContact NH2-OD2 2.79Å; R59-E70 PolarHBondContact N-O 3.02Å; R59-E70 PolarHBondContact O-N 3.2Å; R59-R72 HydrophobicContact CB-CG 3.89Å
60	F	98.8	Very high	97.4	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.018	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.3	164.4	177	-82.8	0	0	0	109.9	F46 I47 A48 Q67 R68 M69 V91 K92	F46-F60 AromaticContact CD1-CD1 3.67Å; F46-F60 HydrophobicContact CD1-CD1 3.67Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.99Å; F46-F60 HydrophobicContact CE1-CD1 3.99Å; F46-F60 HydrophobicContact CE1-CE1 4.38Å; I47-F60 WeakPolarHBondContact CA-O 3.39Å; A48-F60 HydrophobicContact CB-CB 4.22Å; A48-F60 PolarHBondContact N-O 3.05Å; A48-F60 PolarHBondContact O-N 3.36Å; F60-Q67 VanDerWaalsContact CE2-C 3.45Å; F60-Q67 HydrophobicContact CE2-CB 4.39Å; F60-Q67 WeakPolarHBondContact CE2-O 3.36Å; F60-Q67 HydrophobicContact CZ-CB 4.34Å; F60-R68 WeakPolarHBondContact CD2-O 3.47Å; F60-M69 HydrophobicContact CB-CE 4.38Å; F60-M69 HydrophobicContact CB-SD 3.99Å; F60-V91 HydrophobicContact CB-CG2 4.02Å; F60-V91 HydrophobicContact CD1-CG2 4.17Å; F60-V91 HydrophobicContact CD2-CG2 3.39Å; F60-V91 HydrophobicContact CE2-CG2 3.8Å; F60-V91 HydrophobicContact CG-CB 4.35Å; F60-V91 HydrophobicContact CG-CG2 3.6Å; F60-V91 HydrophobicContact CZ-CG2 4.36Å; F60-K92 HydrophobicContact CE2-CG 4.14Å; F60-K92 HydrophobicContact CZ-CG 4Å
61	D	98.6	Very high	97.3	Very high	15 Å²	15	47.8 Å²	47.8	8%	0.08	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	121.1	174.4	-164.9	-27.8	0	0	0	108.9	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.81Å; R45-D61 IonicContact CZ-OD2 3.55Å; R45-D61 IonicContact NE-OD1 3.95Å; R45-D61 PolarHBondContact NE-OD1 2.89Å; R45-D61 VanDerWaalsContact NE-OD1 3.09Å; R45-D61 IonicContact NE-OD2 3.99Å; R45-D61 IonicContact NH2-OD1 3.61Å; R45-D61 PolarHBondContact NH2-OD1 2.89Å; R45-D61 IonicContact NH2-OD2 2.77Å; R45-D61 PolarHBondContact NH2-OD2 3.47Å; R59-D61 IonicContact NH2-OD2 2.82Å; R59-D61 PolarHBondContact NH2-OD2 2.79Å; D61-D63 PolarHBondContact O-N 2.99Å; D61-D63 PolarHBondContact OD1-N 3.18Å; D61-D63 VanDerWaalsContact OD1-N 3.14Å; D61-A64 HydrophobicContact CB-CB 4.14Å; D61-A64 WeakPolarHBondContact O-CB 3.5Å; D61-A64 PolarHBondContact O-N 2.91Å; D61-A64 VanDerWaalsContact O-N 3.08Å
62	S	98.1	Very high	97.3	Very high	16 Å²	16	49.7 Å²	49.7	11%	0.112	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.6	-179.3	66.5	0	0	0	0	113.1	R45 F46 Q67	R45-S62 WeakPolarHBondContact CA-OG 3.43Å; F46-S62 PolarHBondContact N-OG 3.43Å; F46-S62 PolarHBondContact O-N 3.22Å; F46-S62 PolarHBondContact O-OG 3.06Å; S62-Q67 PolarHBondContact O-NE2 3.31Å
63	D	97.6	Very high	97.2	Very high	76 Å²	76	49.9 Å²	49.9	41%	0.406	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-6.9	177.9	-74.4	0.8	0	0	0	112.5	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.45Å; R38-D63 IonicContact CZ-OD2 3.68Å; R38-D63 IonicContact NH1-OD1 3.28Å; R38-D63 PolarHBondContact NH1-OD1 3.18Å; R38-D63 IonicContact NH1-OD2 2.76Å; R38-D63 PolarHBondContact NH1-OD2 3.16Å; R38-D63 IonicContact NH2-OD1 2.77Å; R38-D63 PolarHBondContact NH2-OD1 2.98Å; R38-D63 IonicContact NH2-OD2 3.76Å; R45-D63 WeakPolarHBondContact CD-OD2 3.39Å; R45-D63 IonicContact NE-OD2 2.77Å; D61-D63 PolarHBondContact O-N 2.99Å; D61-D63 PolarHBondContact OD1-N 3.18Å; D61-D63 VanDerWaalsContact OD1-N 3.14Å
64	A	97.3	Very high	97.2	Very high	30 Å²	30	53.3 Å²	53.3	25%	0.248	29%	0.288	C	S	.	.	S	Bend	trans	-71.1	145.7	174.6	0	0	0	0	0	111.4	D61 S66 Q67	D61-A64 HydrophobicContact CB-CB 4.14Å; D61-A64 WeakPolarHBondContact O-CB 3.5Å; D61-A64 PolarHBondContact O-N 2.91Å; D61-A64 VanDerWaalsContact O-N 3.08Å; A64-S66 VanDerWaalsContact C-N 3.31Å; A64-S66 PolarHBondContact O-N 3Å; A64-Q67 WeakPolarHBondContact O-CG 3.24Å; A64-Q67 PolarHBondContact O-N 3.27Å
65	A	96.3	Very high	97.4	Very high	116 Å²	116	51 Å²	51	96%	0.959	27%	0.274	S	S	*	.	S	Bend	trans	-63.5	-34.3	-178.2	0	0	0	0	0	113.6
66	S	93.1	Very high	97.5	Very high	56 Å²	56	49.9 Å²	49.9	39%	0.392	27%	0.267	S	S	.	.	S	Bend	trans	-74	-31.4	179	59.2	0	0	0	0	112.4	A64 R68 E70	A64-S66 VanDerWaalsContact C-N 3.31Å; A64-S66 PolarHBondContact O-N 3Å; S66-R68 PolarHBondContact O-N 3.31Å; S66-E70 PolarHBondContact OG-OE1 2.68Å; S66-E70 VanDerWaalsContact OG-OE1 3.06Å
67	Q	96	Very high	97.4	Very high	90 Å²	90	53.2 Å²	53.2	42%	0.421	28%	0.283	S	S	.	.			trans	39.4	53	-168.2	-59.5	-173.7	-23.1	0	0	111.6	F60 S62 A64 K92	F60-Q67 VanDerWaalsContact CE2-C 3.45Å; F60-Q67 HydrophobicContact CE2-CB 4.39Å; F60-Q67 WeakPolarHBondContact CE2-O 3.36Å; F60-Q67 HydrophobicContact CZ-CB 4.34Å; S62-Q67 PolarHBondContact O-NE2 3.31Å; A64-Q67 WeakPolarHBondContact O-CG 3.24Å; A64-Q67 PolarHBondContact O-N 3.27Å; Q67-K92 WeakPolarHBondContact O-CE 3.37Å; Q67-K92 PolarHBondContact O-NZ 3.31Å
68	R	97.9	Very high	97.3	Very high	150 Å²	150	59 Å²	59	57%	0.566	31%	0.31	S	S	*	.	S	Bend	trans	-124.9	156	178.7	-81.4	179.7	168	163.7	-3.3	110.3	F60 S66 E70 T88	F60-R68 WeakPolarHBondContact CD2-O 3.47Å; S66-R68 PolarHBondContact O-N 3.31Å; R68-E70 PolarHBondContact O-N 2.96Å; R68-T88 HydrophobicContact CG-CG2 4.14Å
69	M	98.3	Very high	97.3	Very high	9 Å²	9	59.6 Å²	59.6	4%	0.044	31%	0.313	C	S	.	.			trans	-67.5	127.6	167.1	-172.3	64.2	86.4	0	0	108.3	V58 F60 W84 E87 T88 V91	V58-M69 HydrophobicContact CB-CG 4.1Å; V58-M69 HydrophobicContact CB-SD 3.68Å; V58-M69 HydrophobicContact CG1-CG 4.15Å; V58-M69 HydrophobicContact CG1-SD 4.38Å; V58-M69 HydrophobicContact CG2-CE 4.46Å; V58-M69 HydrophobicContact CG2-SD 4.14Å; F60-M69 HydrophobicContact CB-CE 4.38Å; F60-M69 HydrophobicContact CB-SD 3.99Å; M69-W84 HydrophobicContact CB-CE3 4.21Å; M69-W84 HydrophobicContact CG-CE3 4.11Å; M69-W84 HydrophobicContact CG-CZ3 3.95Å; M69-E87 HydrophobicContact CB-CB 4.13Å; M69-E87 HydrophobicContact CE-CB 4.36Å; M69-E87 HydrophobicContact CG-CB 4.1Å; M69-T88 PolarHBondContact N-OG1 3.26Å; M69-V91 HydrophobicContact CE-CB 4.41Å; M69-V91 HydrophobicContact CE-CG1 3.38Å; M69-V91 HydrophobicContact CE-CG2 4.24Å
70	E	98.3	Very high	97.2	Very high	59 Å²	59	56.9 Å²	56.9	28%	0.276	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.8	-175.4	-66.4	177.9	175	0	0	110.6	V58 R59 S66 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.43Å; R59-E70 PolarHBondContact N-O 3.02Å; R59-E70 PolarHBondContact O-N 3.2Å; S66-E70 PolarHBondContact OG-OE1 2.68Å; S66-E70 VanDerWaalsContact OG-OE1 3.06Å; R68-E70 PolarHBondContact O-N 2.96Å; E70-R72 IonicContact OE2-CZ 3.09Å; E70-R72 IonicContact OE2-NH1 2.72Å; E70-R72 IonicContact OE2-NH2 3.68Å; E70-R72 PolarHBondContact OE2-NH2 2.79Å
71	P	98.2	Very high	97.2	Very high	46 Å²	46	61.4 Å²	61.4	30%	0.299	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	146.6	173.5	28.3	-34.1	0	0	0	111.1	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.68Å; P71-E77 HydrophobicContact CB-CG 3.79Å; P71-E77 HydrophobicContact CG-CG 4.04Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 4Å; P71-W84 HydrophobicContact CB-CZ3 4.46Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.42Å
72	R	97.6	Very high	97.1	Very high	109 Å²	109	68.6 Å²	68.6	41%	0.411	38%	0.376	S	S	.	.			trans	-128.4	-2.1	173.7	-61.9	-63.2	175.8	-143.9	-7.8	113.6	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.11Å; Q56-R72 HydrophobicContact CG-CG 4.31Å; F57-R72 PolarHBondContact O-N 2.67Å; R59-R72 HydrophobicContact CB-CG 3.89Å; E70-R72 IonicContact OE2-CZ 3.09Å; E70-R72 IonicContact OE2-NH1 2.72Å; E70-R72 IonicContact OE2-NH2 3.68Å; E70-R72 PolarHBondContact OE2-NH2 2.79Å
73	A	96.4	Very high	97.1	Very high	5 Å²	5	68.6 Å²	68.6	4%	0.041	37%	0.374	C	S	.	.	S	Bend	trans	-135.3	143.5	173.6	0	0	0	0	0	110.7	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.13Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.34Å; A73-W75 HydrophobicContact CB-CZ2 4.01Å; A73-W75 PolarHBondContact O-N 2.95Å; A73-I76 WeakPolarHBondContact O-CG2 2.94Å; A73-I76 PolarHBondContact O-N 2.92Å
74	P	96.8	Very high	97.2	Very high	105 Å²	105	67 Å²	67	68%	0.682	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-58.5	-36.9	-177.8	-26.6	35	0	0	0	113.8	I76 E77	P74-I76 PolarHBondContact O-N 2.03Å; P74-E77 WeakPolarHBondContact O-CB 3.3Å; P74-E77 PolarHBondContact O-N 2.95Å; P74-E77 VanDerWaalsContact O-N 3.13Å
75	W	96.8	Very high	97.2	Very high	18 Å²	18	69.6 Å²	69.6	7%	0.068	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-70.2	-14.7	-176	54.2	-105.8	0	0	0	114.3	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.46Å; V52-W75 HydrophobicContact CG2-CH2 3.92Å; V52-W75 HydrophobicContact CG2-CZ2 4.47Å; F57-W75 HydrophobicContact CB-CH2 3.14Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 3.98Å; F57-W75 HydrophobicContact CD1-CH2 4.07Å; F57-W75 AromaticContact CD2-CH2 3.8Å; F57-W75 HydrophobicContact CD2-CH2 3.8Å; F57-W75 HydrophobicContact CD2-CZ3 4.1Å; F57-W75 AromaticContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CH2 3.44Å; F57-W75 VanDerWaalsContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CZ2 4.1Å; F57-W75 HydrophobicContact CG-CZ3 4.19Å; A73-W75 VanDerWaalsContact C-N 3.27Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.34Å; A73-W75 HydrophobicContact CB-CZ2 4.01Å; A73-W75 PolarHBondContact O-N 2.95Å; W75-Q78 WeakPolarHBondContact O-CG 3.12Å; W75-Q78 PolarHBondContact O-NE2 2.92Å; W75-Y195 HydrophobicContact CH2-CG 4.21Å; W75-Y195 AromaticContact CZ3-CD1 3.82Å; W75-Y195 HydrophobicContact CZ3-CD1 3.82Å; W75-Y195 HydrophobicContact CZ3-CD2 4.37Å; W75-Y195 AromaticContact CZ3-CG 3.69Å; W75-Y195 HydrophobicContact CZ3-CG 3.69Å; W75-N198 WeakPolarHBondContact CB-O 3.18Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.27Å; W75-L203 HydrophobicContact CZ2-CD1 3.79Å; W75-L203 HydrophobicContact CZ2-CD2 4.05Å; W75-L203 HydrophobicContact CZ2-CG 4.32Å
76	I	98	Very high	97.3	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-89.1	-19.3	173.8	-163.3	71.5	0	0	0	111.8	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.43Å; F57-I76 HydrophobicContact CD2-CD1 3.96Å; F57-I76 HydrophobicContact CD2-CG1 4.01Å; F57-I76 HydrophobicContact CE2-CD1 4.31Å; F57-I76 VanDerWaalsContact O-CG2 3.26Å; F57-I76 WeakPolarHBondContact O-CG2 3.41Å; V58-I76 HydrophobicContact CG1-CG1 4.37Å; P71-I76 HydrophobicContact CB-CG2 3.68Å; A73-I76 WeakPolarHBondContact O-CG2 2.94Å; A73-I76 PolarHBondContact O-N 2.92Å; P74-I76 PolarHBondContact O-N 2.03Å; I76-Q78 PolarHBondContact O-N 3.26Å; I76-Q78 VanDerWaalsContact O-N 3.13Å; I76-E79 HydrophobicContact CD1-CG 3.66Å; I76-E79 HydrophobicContact CG1-CG 4.19Å; I76-E79 WeakPolarHBondContact O-CB 3.32Å; I76-E79 WeakPolarHBondContact O-CG 3.1Å; I76-E79 PolarHBondContact O-N 2.82Å; I76-Y83 HydrophobicContact CD1-CE1 4.16Å; I76-Y83 HydrophobicContact CG1-CE1 4.15Å; I76-W84 HydrophobicContact CB-CH2 4.46Å; I76-W84 HydrophobicContact CG1-CH2 3.78Å; I76-W84 HydrophobicContact CG1-CZ2 4.06Å; I76-W84 HydrophobicContact CG2-CH2 3.98Å; I76-W84 HydrophobicContact CG2-CZ2 4.39Å; I76-W84 WeakPolarHBondContact O-CZ2 3.31Å; I76-Y195 HydrophobicContact CD1-CD1 3.81Å; I76-Y195 HydrophobicContact CD1-CE1 3.32Å
77	E	96.9	Very high	97.5	Very high	124 Å²	124	66.3 Å²	66.3	58%	0.579	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.5	-176.9	-64.3	-178.4	-175.8	0	0	113.4	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.79Å; P71-E77 HydrophobicContact CG-CG 4.04Å; P74-E77 WeakPolarHBondContact O-CB 3.3Å; P74-E77 PolarHBondContact O-N 2.95Å; P74-E77 VanDerWaalsContact O-N 3.13Å; E77-E79 PolarHBondContact O-N 2.95Å
78	Q	95.9	Very high	97.6	Very high	121 Å²	121	62.6 Å²	62.6	57%	0.565	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-13	175.1	69.6	-172.4	-32.8	0	0	113.9	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.12Å; W75-Q78 PolarHBondContact O-NE2 2.92Å; I76-Q78 PolarHBondContact O-N 3.26Å; I76-Q78 VanDerWaalsContact O-N 3.13Å; Q78-N198 PolarHBondContact NE2-ND2 3.18Å
79	E	97.7	Very high	97.7	Very high	12 Å²	12	62.9 Å²	62.9	6%	0.056	31%	0.314	C	S	.	.	S	Bend	trans	-65.3	138	176.4	-68	-59.2	154.7	0	0	111.3	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.66Å; I76-E79 HydrophobicContact CG1-CG 4.19Å; I76-E79 WeakPolarHBondContact O-CB 3.32Å; I76-E79 WeakPolarHBondContact O-CG 3.1Å; I76-E79 PolarHBondContact O-N 2.82Å; E77-E79 PolarHBondContact O-N 2.95Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CE1 4.16Å; E79-Y83 HydrophobicContact CB-CG 3.79Å; E79-Y83 HydrophobicContact CG-CD1 4.02Å; E79-Y83 HydrophobicContact CG-CE1 4.26Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; E79-W84 HydrophobicContact CB-CZ2 4.47Å; E79-W84 PolarHBondContact O-NE1 2.93Å; E79-R194 IonicContact OE1-CZ 3.58Å; E79-R194 VanDerWaalsContact OE1-CZ 3.31Å; E79-R194 IonicContact OE1-NE 3.5Å; E79-R194 PolarHBondContact OE1-NE 3.03Å; E79-R194 IonicContact OE1-NH2 2.99Å; E79-R194 PolarHBondContact OE1-NH2 2.84Å; E79-R194 IonicContact OE2-CZ 3.77Å; E79-R194 IonicContact OE2-NE 2.79Å; E79-R194 IonicContact OE2-NH2 2.68Å; E79-R194 PolarHBondContact OE2-NH2 3.32Å; E79-N198 PolarHBondContact OE1-ND2 2.71Å
80	G	97.3	Very high	97.6	Very high	34 Å²	34	65.8 Å²	65.8	35%	0.351	33%	0.33	S	S	.	.			trans	-70.6	168	-174.7	0	0	0	0	0	113.8	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.82Å; G80-Y83 WeakPolarHBondContact O-CB 3.18Å; G80-Y83 PolarHBondContact O-N 2.9Å; G80-W84 VanDerWaalsContact O-CD1 3.25Å; G80-W84 PolarHBondContact O-N 2.81Å
81	P	97.5	Very high	97.6	Very high	98 Å²	98	63.2 Å²	63.2	64%	0.636	32%	0.318	S	S	*	.	H	α-helix	trans	-58	-32.8	-179.3	23.5	-33.8	0	0	0	113.3	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.3Å; P81-Y83 PolarHBondContact O-N 2.98Å; P81-W84 PolarHBondContact O-N 2.97Å; P81-D85 WeakPolarHBondContact O-CB 3.5Å; P81-D85 PolarHBondContact O-N 2.77Å
82	E	97.9	Very high	97.6	Very high	167 Å²	167	64.8 Å²	64.8	78%	0.78	32%	0.321	S	S	*	.	H	α-helix	trans	-60.5	-38	177.4	-64.2	-179.1	177.7	0	0	112.6	G80 Q86	G80-E82 PolarHBondContact O-N 2.82Å; E82-Q86 WeakPolarHBondContact O-CB 3.24Å; E82-Q86 PolarHBondContact O-N 2.92Å
83	Y	98	Very high	97.6	Very high	16 Å²	16	62.4 Å²	62.4	6%	0.063	32%	0.324	C	S	.	.	H	α-helix	trans	-63.3	-51.8	175	170.8	-95.7	0	0	0	110.4	I76 E79 G80 P81 D85 Q86 E87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.16Å; I76-Y83 HydrophobicContact CG1-CE1 4.15Å; E79-Y83 HydrophobicContact CB-CD1 3.52Å; E79-Y83 HydrophobicContact CB-CE1 4.16Å; E79-Y83 HydrophobicContact CB-CG 3.79Å; E79-Y83 HydrophobicContact CG-CD1 4.02Å; E79-Y83 HydrophobicContact CG-CE1 4.26Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; G80-Y83 WeakPolarHBondContact O-CB 3.18Å; G80-Y83 PolarHBondContact O-N 2.9Å; P81-Y83 VanDerWaalsContact C-N 3.3Å; P81-Y83 PolarHBondContact O-N 2.98Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 3.37Å; Y83-Q86 PolarHBondContact O-N 3.03Å; Y83-E87 HydrophobicContact CD1-CG 4.36Å; Y83-E87 HydrophobicContact CD2-CG 4.09Å; Y83-E87 HydrophobicContact CE1-CG 3.99Å; Y83-E87 HydrophobicContact CE2-CG 3.68Å; Y83-E87 HydrophobicContact CG-CG 4.41Å; Y83-E87 WeakPolarHBondContact O-CB 3.35Å; Y83-E87 WeakPolarHBondContact O-CG 3.49Å; Y83-E87 PolarHBondContact O-N 3.41Å; Y83-W191 AromaticContact CD2-CH2 3.51Å; Y83-W191 HydrophobicContact CD2-CH2 3.51Å; Y83-W191 HydrophobicContact CD2-CZ2 4.14Å; Y83-W191 AromaticContact CD2-CZ3 3.87Å; Y83-W191 HydrophobicContact CD2-CZ3 3.87Å; Y83-W191 HydrophobicContact CE2-CE3 4.4Å; Y83-W191 AromaticContact CE2-CH2 3.91Å; Y83-W191 HydrophobicContact CE2-CH2 3.91Å; Y83-W191 HydrophobicContact CE2-CZ2 4.43Å; Y83-W191 AromaticContact CE2-CZ3 3.88Å; Y83-W191 HydrophobicContact CE2-CZ3 3.88Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.32Å; Y83-Y195 PolarHBondContact OH-OH 3.39Å
84	W	98.4	Very high	97.7	Very high	42 Å²	42	64.1 Å²	64.1	16%	0.159	33%	0.331	C	S	.	.	H	α-helix	trans	-63.6	-38.8	-178.3	-63.6	111.4	0	0	0	113	V58 M69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.11Å; V58-W84 HydrophobicContact CG1-CZ3 3.88Å; M69-W84 HydrophobicContact CB-CE3 4.21Å; M69-W84 HydrophobicContact CG-CE3 4.11Å; M69-W84 HydrophobicContact CG-CZ3 3.95Å; P71-W84 HydrophobicContact CB-CH2 3.62Å; P71-W84 HydrophobicContact CB-CZ2 4Å; P71-W84 HydrophobicContact CB-CZ3 4.46Å; P71-W84 HydrophobicContact CG-CH2 4.24Å; P71-W84 HydrophobicContact CG-CZ2 4.42Å; I76-W84 HydrophobicContact CB-CH2 4.46Å; I76-W84 HydrophobicContact CG1-CH2 3.78Å; I76-W84 HydrophobicContact CG1-CZ2 4.06Å; I76-W84 HydrophobicContact CG2-CH2 3.98Å; I76-W84 HydrophobicContact CG2-CZ2 4.39Å; I76-W84 WeakPolarHBondContact O-CZ2 3.31Å; E79-W84 HydrophobicContact CB-CZ2 4.47Å; E79-W84 PolarHBondContact O-NE1 2.93Å; G80-W84 VanDerWaalsContact O-CD1 3.25Å; G80-W84 PolarHBondContact O-N 2.81Å; P81-W84 PolarHBondContact O-N 2.97Å; W84-T88 WeakPolarHBondContact O-CB 3.3Å; W84-T88 PolarHBondContact O-N 2.69Å; W84-T88 PolarHBondContact O-OG1 2.97Å
85	D	98.3	Very high	97.7	Very high	84 Å²	84	60 Å²	60	45%	0.449	31%	0.305	S	S	.	.	H	α-helix	trans	-68.3	-41.1	175.5	-77.2	-22.3	0	0	0	111.4	P81 Y83 R89	P81-D85 WeakPolarHBondContact O-CB 3.5Å; P81-D85 PolarHBondContact O-N 2.77Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 3.37Å; D85-R89 WeakPolarHBondContact O-CB 3.19Å; D85-R89 VanDerWaalsContact O-CG 3.3Å; D85-R89 WeakPolarHBondContact O-CG 3.38Å; D85-R89 PolarHBondContact O-N 2.91Å
86	Q	97.9	Very high	97.7	Very high	77 Å²	77	63.9 Å²	63.9	36%	0.36	32%	0.324	S	S	.	.	H	α-helix	trans	-64	-50.8	175.6	-174.8	61.2	40.6	0	0	111.5	E82 Y83 T88 R89 N90	E82-Q86 WeakPolarHBondContact O-CB 3.24Å; E82-Q86 PolarHBondContact O-N 2.92Å; Y83-Q86 PolarHBondContact O-N 3.03Å; Q86-T88 VanDerWaalsContact C-N 3.32Å; Q86-T88 PolarHBondContact O-N 3.33Å; Q86-R89 PolarHBondContact O-N 2.82Å; Q86-R89 VanDerWaalsContact O-N 3.12Å; Q86-N90 PolarHBondContact NE2-OD1 3.19Å; Q86-N90 PolarHBondContact O-N 3.17Å; Q86-N90 PolarHBondContact O-ND2 2.96Å; Q86-N90 PolarHBondContact O-OD1 3.43Å
87	E	98	Very high	97.7	Very high	27 Å²	27	67.5 Å²	67.5	13%	0.126	35%	0.346	C	S	.	.	H	α-helix	trans	-62.1	-41.1	-179.9	-71.6	-55.4	102.6	0	0	111.5	M69 Y83 R89 N90 V91	M69-E87 HydrophobicContact CB-CB 4.13Å; M69-E87 HydrophobicContact CE-CB 4.36Å; M69-E87 HydrophobicContact CG-CB 4.1Å; Y83-E87 HydrophobicContact CD1-CG 4.36Å; Y83-E87 HydrophobicContact CD2-CG 4.09Å; Y83-E87 HydrophobicContact CE1-CG 3.99Å; Y83-E87 HydrophobicContact CE2-CG 3.68Å; Y83-E87 HydrophobicContact CG-CG 4.41Å; Y83-E87 WeakPolarHBondContact O-CB 3.35Å; Y83-E87 WeakPolarHBondContact O-CG 3.49Å; Y83-E87 PolarHBondContact O-N 3.41Å; E87-R89 PolarHBondContact O-N 3.44Å; E87-N90 PolarHBondContact O-N 3.39Å; E87-N90 PolarHBondContact OE1-ND2 2.79Å; E87-V91 WeakPolarHBondContact O-CG2 3.32Å; E87-V91 PolarHBondContact O-N 2.83Å
88	T	98.6	Very high	97.7	Very high	11 Å²	11	62 Å²	62	7%	0.067	32%	0.32	C	S	.	.	H	α-helix	trans	-61.2	-42.7	174.2	-62.6	0	0	0	0	111.8	R68 M69 W84 Q86 V91 K92	R68-T88 HydrophobicContact CG-CG2 4.14Å; M69-T88 PolarHBondContact N-OG1 3.26Å; W84-T88 WeakPolarHBondContact O-CB 3.3Å; W84-T88 PolarHBondContact O-N 2.69Å; W84-T88 PolarHBondContact O-OG1 2.97Å; Q86-T88 VanDerWaalsContact C-N 3.32Å; Q86-T88 PolarHBondContact O-N 3.33Å; T88-V91 WeakPolarHBondContact O-CG2 3.37Å; T88-K92 HydrophobicContact CG2-CD 4.15Å; T88-K92 WeakPolarHBondContact O-CB 3.31Å; T88-K92 VanDerWaalsContact O-CG 3.32Å; T88-K92 WeakPolarHBondContact O-CG 3.34Å; T88-K92 PolarHBondContact O-N 2.91Å; T88-K92 VanDerWaalsContact O-N 3.1Å
89	R	98.4	Very high	97.8	Very high	156 Å²	156	59.3 Å²	59.3	59%	0.589	31%	0.305	S	S	*	.	H	α-helix	trans	-64.3	-44.2	176.5	-76.5	-172.9	-62.3	178.2	-0.2	111.4	D85 Q86 E87 K92 A93	D85-R89 WeakPolarHBondContact O-CB 3.19Å; D85-R89 VanDerWaalsContact O-CG 3.3Å; D85-R89 WeakPolarHBondContact O-CG 3.38Å; D85-R89 PolarHBondContact O-N 2.91Å; Q86-R89 PolarHBondContact O-N 2.82Å; Q86-R89 VanDerWaalsContact O-N 3.12Å; E87-R89 PolarHBondContact O-N 3.44Å; R89-K92 PolarHBondContact O-N 3.24Å; R89-A93 WeakPolarHBondContact O-CB 3.46Å; R89-A93 PolarHBondContact O-N 3.08Å
90	N	97.3	Very high	97.7	Very high	71 Å²	71	64.4 Å²	64.4	38%	0.38	33%	0.329	S	S	.	.	H	α-helix	trans	-58.5	-52.2	179.5	-69.6	-15	0	0	0	111.1	Q86 E87 K92 A93 H94	Q86-N90 PolarHBondContact NE2-OD1 3.19Å; Q86-N90 PolarHBondContact O-N 3.17Å; Q86-N90 PolarHBondContact O-ND2 2.96Å; Q86-N90 PolarHBondContact O-OD1 3.43Å; E87-N90 PolarHBondContact O-N 3.39Å; E87-N90 PolarHBondContact OE1-ND2 2.79Å; N90-K92 VanDerWaalsContact C-N 3.35Å; N90-K92 PolarHBondContact O-N 2.82Å; N90-A93 PolarHBondContact O-N 2.77Å; N90-H94 PolarHBondContact O-N 2.8Å
91	V	97.9	Very high	97.7	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.024	33%	0.327	C	S	.	.	H	α-helix	trans	-68.7	-31.3	-179.3	-64	0	0	0	0	113.3	F33 F46 A48 F60 M69 E87 T88 H94 S95	F33-V91 HydrophobicContact CZ-CG1 4.3Å; F46-V91 HydrophobicContact CE1-CB 4.1Å; A48-V91 HydrophobicContact CB-CG1 4.24Å; F60-V91 HydrophobicContact CB-CG2 4.02Å; F60-V91 HydrophobicContact CD1-CG2 4.17Å; F60-V91 HydrophobicContact CD2-CG2 3.39Å; F60-V91 HydrophobicContact CE2-CG2 3.8Å; F60-V91 HydrophobicContact CG-CB 4.35Å; F60-V91 HydrophobicContact CG-CG2 3.6Å; F60-V91 HydrophobicContact CZ-CG2 4.36Å; M69-V91 HydrophobicContact CE-CB 4.41Å; M69-V91 HydrophobicContact CE-CG1 3.38Å; M69-V91 HydrophobicContact CE-CG2 4.24Å; E87-V91 WeakPolarHBondContact O-CG2 3.32Å; E87-V91 PolarHBondContact O-N 2.83Å; T88-V91 WeakPolarHBondContact O-CG2 3.37Å; V91-H94 PolarHBondContact O-N 2.84Å; V91-S95 WeakPolarHBondContact O-CB 3.34Å; V91-S95 PolarHBondContact O-N 3.25Å
92	K	98.1	Very high	97.7	Very high	80 Å²	80	60.5 Å²	60.5	35%	0.348	30%	0.298	S	S	.	.	H	α-helix	trans	-66.9	-42.4	172.4	-78	-176.9	178	178.9	0	112.1	F60 Q67 T88 R89 N90 H94 S95 Q96	F60-K92 HydrophobicContact CE2-CG 4.14Å; F60-K92 HydrophobicContact CZ-CG 4Å; Q67-K92 WeakPolarHBondContact O-CE 3.37Å; Q67-K92 PolarHBondContact O-NZ 3.31Å; T88-K92 HydrophobicContact CG2-CD 4.15Å; T88-K92 WeakPolarHBondContact O-CB 3.31Å; T88-K92 VanDerWaalsContact O-CG 3.32Å; T88-K92 WeakPolarHBondContact O-CG 3.34Å; T88-K92 PolarHBondContact O-N 2.91Å; T88-K92 VanDerWaalsContact O-N 3.1Å; R89-K92 PolarHBondContact O-N 3.24Å; N90-K92 VanDerWaalsContact C-N 3.35Å; N90-K92 PolarHBondContact O-N 2.82Å; K92-H94 VanDerWaalsContact C-N 3.32Å; K92-S95 PolarHBondContact O-N 3.19Å; K92-Q96 WeakPolarHBondContact O-CG 3.35Å; K92-Q96 PolarHBondContact O-N 3.44Å; K92-Q96 VanDerWaalsContact O-N 3.17Å
93	A	98	Very high	97.7	Very high	58 Å²	58	58.4 Å²	58.4	48%	0.479	28%	0.283	S	S	.	.	H	α-helix	trans	-63.3	-40.8	175	0	0	0	0	0	111.3	R89 N90 Q96 T97	R89-A93 WeakPolarHBondContact O-CB 3.46Å; R89-A93 PolarHBondContact O-N 3.08Å; N90-A93 PolarHBondContact O-N 2.77Å; A93-Q96 PolarHBondContact O-N 3.11Å; A93-T97 PolarHBondContact O-N 2.83Å; A93-T97 VanDerWaalsContact O-N 3.11Å; A93-T97 PolarHBondContact O-OG1 2.64Å; A93-T97 VanDerWaalsContact O-OG1 3.05Å
94	H	97.4	Very high	97.6	Very high	41 Å²	41	59.3 Å²	59.3	19%	0.19	29%	0.289	C	S	.	.	H	α-helix	trans	-64.4	-44.6	175.9	-160.6	89.6	0	0	0	112	F33 F46 N90 V91 K92 Q96 T97 D98 M121	F33-H94 AromaticContact CD2-CD2 3.36Å; F33-H94 WeakPolarHBondContact CD2-CD2 3.29Å; F33-H94 AromaticContact CD2-CE1 3.95Å; F33-H94 AromaticContact CD2-CG 3.8Å; F33-H94 AromaticContact CD2-NE2 3.44Å; F33-H94 WeakPolarHBondContact CD2-NE2 3.42Å; F33-H94 HydrophobicContact CE2-CB 4.32Å; F33-H94 AromaticContact CE2-CD2 3.8Å; F33-H94 AromaticContact CE2-CG 3.72Å; F33-H94 AromaticContact CE2-ND1 3.95Å; F46-H94 AromaticContact CE2-CD2 3.76Å; F46-H94 HydrophobicContact CZ-CB 4.46Å; N90-H94 PolarHBondContact O-N 2.8Å; V91-H94 PolarHBondContact O-N 2.84Å; K92-H94 VanDerWaalsContact C-N 3.32Å; H94-Q96 PolarHBondContact O-N 2.99Å; H94-T97 CarbonylContact O-C 3.55Å; H94-T97 WeakPolarHBondContact O-CA 3.33Å; H94-T97 VanDerWaalsContact O-CB 3.31Å; H94-T97 WeakPolarHBondContact O-CB 3.37Å; H94-T97 PolarHBondContact O-N 3Å; H94-D98 IonicContact CD2-OD1 3.39Å; H94-D98 IonicContact CD2-OD2 3.21Å; H94-D98 IonicContact NE2-OD1 3.24Å; H94-D98 PolarHBondContact NE2-OD1 3.2Å; H94-D98 PolarHBondContact O-N 2.99Å; H94-M121 PolarHBondContact CE1-SD 3.04Å
95	S	97.5	Very high	97.5	Very high	19 Å²	19	57.6 Å²	57.6	13%	0.133	28%	0.283	C	S	.	.	H	α-helix	trans	-55.5	-36.7	174.3	173.6	0	0	0	0	113.1	F46 V91 K92 R99	F46-S95 WeakPolarHBondContact CB-OG 3.35Å; V91-S95 WeakPolarHBondContact O-CB 3.34Å; V91-S95 PolarHBondContact O-N 3.25Å; K92-S95 PolarHBondContact O-N 3.19Å; S95-R99 PolarHBondContact O-N 2.87Å; S95-R99 VanDerWaalsContact O-N 3.13Å
96	Q	97.4	Very high	97.4	Very high	99 Å²	99	55 Å²	55	46%	0.463	27%	0.269	S	S	.	.	H	α-helix	trans	-70.2	-37.3	174.2	-66	-55.6	-48.3	0	0	112.6	K92 A93 H94 R99 E100	K92-Q96 WeakPolarHBondContact O-CG 3.35Å; K92-Q96 PolarHBondContact O-N 3.44Å; K92-Q96 VanDerWaalsContact O-N 3.17Å; A93-Q96 PolarHBondContact O-N 3.11Å; H94-Q96 PolarHBondContact O-N 2.99Å; Q96-R99 WeakPolarHBondContact O-CB 3.17Å; Q96-R99 PolarHBondContact O-N 3.4Å; Q96-E100 PolarHBondContact O-N 3.19Å
97	T	97.2	Very high	97.4	Very high	76 Å²	76	59.1 Å²	59.1	47%	0.466	28%	0.281	S	S	.	.	H	α-helix	trans	-63.3	-47.7	175.8	-56	0	0	0	0	110.2	A93 H94 R99 E100 S101	A93-T97 PolarHBondContact O-N 2.83Å; A93-T97 VanDerWaalsContact O-N 3.11Å; A93-T97 PolarHBondContact O-OG1 2.64Å; A93-T97 VanDerWaalsContact O-OG1 3.05Å; H94-T97 CarbonylContact O-C 3.55Å; H94-T97 WeakPolarHBondContact O-CA 3.33Å; H94-T97 VanDerWaalsContact O-CB 3.31Å; H94-T97 WeakPolarHBondContact O-CB 3.37Å; H94-T97 PolarHBondContact O-N 3Å; T97-R99 VanDerWaalsContact C-N 3.3Å; T97-R99 PolarHBondContact O-N 3.27Å; T97-E100 PolarHBondContact O-N 3.49Å; T97-S101 PolarHBondContact O-N 3.24Å; T97-S101 PolarHBondContact O-OG 3.38Å; T97-S101 VanDerWaalsContact O-OG 3.14Å
98	D	97.1	Very high	97.3	Very high	8 Å²	8	60.3 Å²	60.3	4%	0.043	29%	0.285	C	S	.	.	H	α-helix	trans	-60.6	-38.4	176.9	-85.1	6.9	0	0	0	113.1	S35 F46 H94 E100 S101 L102	S35-D98 WeakPolarHBondContact CB-OD2 3.36Å; S35-D98 WeakPolarHBondContact OG-CB 3.23Å; S35-D98 VanDerWaalsContact OG-CG 3.3Å; S35-D98 PolarHBondContact OG-OD2 2.87Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.34Å; H94-D98 IonicContact CD2-OD1 3.39Å; H94-D98 IonicContact CD2-OD2 3.21Å; H94-D98 IonicContact NE2-OD1 3.24Å; H94-D98 PolarHBondContact NE2-OD1 3.2Å; H94-D98 PolarHBondContact O-N 2.99Å; D98-E100 VanDerWaalsContact C-N 3.28Å; D98-E100 PolarHBondContact O-N 3.11Å; D98-S101 PolarHBondContact O-N 2.64Å; D98-L102 WeakPolarHBondContact O-CB 3.45Å; D98-L102 WeakPolarHBondContact O-CG 3.46Å; D98-L102 PolarHBondContact O-N 2.83Å
99	R	97.1	Very high	97.3	Very high	66 Å²	66	62.8 Å²	62.8	25%	0.249	29%	0.294	C	S	.	.	H	α-helix	trans	-58.5	-42.9	174.3	179.3	-180	69.8	162.1	-0.7	111.3	E43 P44 S95 Q96 T97 R103	E43-R99 VanDerWaalsContact CD-NH1 3.34Å; E43-R99 IonicContact OE1-CZ 2.99Å; E43-R99 IonicContact OE1-NH1 3.68Å; E43-R99 PolarHBondContact OE1-NH1 3.38Å; E43-R99 WeakPolarHBondContact OE2-CD 3.49Å; E43-R99 IonicContact OE2-NE 2.74Å; E43-R99 IonicContact OE2-NH1 3.2Å; P44-R99 HydrophobicContact CG-CG 4.24Å; S95-R99 PolarHBondContact O-N 2.87Å; S95-R99 VanDerWaalsContact O-N 3.13Å; Q96-R99 WeakPolarHBondContact O-CB 3.17Å; Q96-R99 PolarHBondContact O-N 3.4Å; T97-R99 VanDerWaalsContact C-N 3.3Å; T97-R99 PolarHBondContact O-N 3.27Å; R99-R103 PolarHBondContact O-N 3.11Å
100	E	97.1	Very high	97.2	Very high	119 Å²	119	62.6 Å²	62.6	56%	0.556	30%	0.304	S	S	*	.	H	α-helix	trans	-69.9	-42.6	176.2	-172.8	171.5	-178.9	0	0	111.5	Q96 T97 D98 L102 R103 I104	Q96-E100 PolarHBondContact O-N 3.19Å; T97-E100 PolarHBondContact O-N 3.49Å; D98-E100 VanDerWaalsContact C-N 3.28Å; D98-E100 PolarHBondContact O-N 3.11Å; E100-L102 VanDerWaalsContact C-N 3.32Å; E100-L102 PolarHBondContact O-N 3.02Å; E100-R103 WeakPolarHBondContact O-CB 3.37Å; E100-R103 PolarHBondContact O-N 2.76Å; E100-R103 VanDerWaalsContact O-N 3.07Å; E100-I104 HydrophobicContact CG-CD1 3.97Å; E100-I104 HydrophobicContact CG-CG1 4.48Å; E100-I104 WeakPolarHBondContact O-CG1 3.4Å; E100-I104 PolarHBondContact O-N 2.88Å
101	S	97.4	Very high	97.1	Very high	44 Å²	44	62.1 Å²	62.1	31%	0.308	30%	0.3	S	S	.	.	H	α-helix	trans	-57.3	-41.6	176.1	-64.1	0	0	0	0	112.2	T97 D98 R103 I104 A105	T97-S101 PolarHBondContact O-N 3.24Å; T97-S101 PolarHBondContact O-OG 3.38Å; T97-S101 VanDerWaalsContact O-OG 3.14Å; D98-S101 PolarHBondContact O-N 2.64Å; S101-R103 VanDerWaalsContact C-N 3.34Å; S101-R103 PolarHBondContact O-N 2.88Å; S101-I104 PolarHBondContact O-N 2.98Å; S101-A105 WeakPolarHBondContact O-CB 3.3Å; S101-A105 PolarHBondContact O-N 2.71Å
102	L	97.8	Very high	97	Very high	6 Å²	6	65.9 Å²	65.9	3%	0.031	33%	0.326	C	S	.	.	H	α-helix	trans	-58.2	-44.5	174	-79.9	165.9	0	0	0	111.7	P44 D98 E100 I104 A105 L106 H117 I119 Y142	P44-L102 HydrophobicContact CB-CD1 3.69Å; P44-L102 HydrophobicContact CG-CD1 3.67Å; D98-L102 WeakPolarHBondContact O-CB 3.45Å; D98-L102 WeakPolarHBondContact O-CG 3.46Å; D98-L102 PolarHBondContact O-N 2.83Å; E100-L102 VanDerWaalsContact C-N 3.32Å; E100-L102 PolarHBondContact O-N 3.02Å; L102-I104 VanDerWaalsContact C-N 3.33Å; L102-I104 PolarHBondContact O-N 2.97Å; L102-A105 PolarHBondContact O-N 3.26Å; L102-L106 WeakPolarHBondContact O-CG 3.17Å; L102-L106 PolarHBondContact O-N 2.89Å; L102-L106 VanDerWaalsContact O-N 3.1Å; L102-H117 HydrophobicContact CD2-CB 4.12Å; L102-I119 HydrophobicContact CB-CD1 4.41Å; L102-I119 HydrophobicContact CD2-CB 4.47Å; L102-I119 HydrophobicContact CD2-CD1 3.94Å; L102-I119 HydrophobicContact CD2-CG1 3.77Å; L102-I119 HydrophobicContact CG-CD1 3.79Å; L102-I119 HydrophobicContact CG-CG1 4.12Å; L102-Y142 HydrophobicContact CD2-CE2 4.28Å
103	R	96.2	Very high	96.7	Very high	123 Å²	123	69.8 Å²	69.8	46%	0.464	35%	0.346	S	S	.	.	H	α-helix	trans	-67	-35.2	177.5	-65.1	174.2	-175.5	158.1	1.3	112.2	R99 E100 S101	R99-R103 PolarHBondContact O-N 3.11Å; E100-R103 WeakPolarHBondContact O-CB 3.37Å; E100-R103 PolarHBondContact O-N 2.76Å; E100-R103 VanDerWaalsContact O-N 3.07Å; S101-R103 VanDerWaalsContact C-N 3.34Å; S101-R103 PolarHBondContact O-N 2.88Å
104	I	96.7	Very high	96.5	Very high	35 Å²	35	71 Å²	71	18%	0.179	36%	0.356	C	S	.	.	H	α-helix	trans	-68.9	-46.6	176	-70.1	168.1	0	0	0	110.4	E100 S101 L102 L106 R107 Y108	E100-I104 HydrophobicContact CG-CD1 3.97Å; E100-I104 HydrophobicContact CG-CG1 4.48Å; E100-I104 WeakPolarHBondContact O-CG1 3.4Å; E100-I104 PolarHBondContact O-N 2.88Å; S101-I104 PolarHBondContact O-N 2.98Å; L102-I104 VanDerWaalsContact C-N 3.33Å; L102-I104 PolarHBondContact O-N 2.97Å; I104-L106 VanDerWaalsContact C-N 3.34Å; I104-L106 PolarHBondContact O-N 3.08Å; I104-R107 WeakPolarHBondContact O-CB 3.3Å; I104-R107 PolarHBondContact O-N 3.31Å; I104-Y108 HydrophobicContact CG2-CD1 4.19Å; I104-Y108 HydrophobicContact CG2-CD2 3.97Å; I104-Y108 HydrophobicContact CG2-CE1 3.69Å; I104-Y108 HydrophobicContact CG2-CE2 3.44Å; I104-Y108 VanDerWaalsContact CG2-CE2 3.44Å; I104-Y108 HydrophobicContact CG2-CG 4.31Å; I104-Y108 PolarHBondContact O-N 3.13Å
105	A	96.8	Very high	96.3	Very high	5 Å²	5	70.3 Å²	70.3	4%	0.041	36%	0.36	C	S	.	.	H	α-helix	trans	-59.4	-44.4	-179.6	0	0	0	0	0	111.5	S101 L102 R107 Y108 Y109 Y142	S101-A105 WeakPolarHBondContact O-CB 3.3Å; S101-A105 PolarHBondContact O-N 2.71Å; L102-A105 PolarHBondContact O-N 3.26Å; A105-R107 PolarHBondContact O-N 3.38Å; A105-Y108 PolarHBondContact O-N 3.47Å; A105-Y108 VanDerWaalsContact O-N 3.08Å; A105-Y109 HydrophobicContact CB-CD2 4.5Å; A105-Y109 VanDerWaalsContact O-CD2 3.3Å; A105-Y109 WeakPolarHBondContact O-CD2 3.47Å; A105-Y109 PolarHBondContact O-N 3.07Å; A105-Y142 HydrophobicContact CB-CD2 4.09Å; A105-Y142 HydrophobicContact CB-CE1 4.15Å; A105-Y142 HydrophobicContact CB-CE2 3.62Å
106	L	96.6	Very high	96.3	Very high	29 Å²	29	73 Å²	73	15%	0.152	38%	0.379	C	S	.	.	H	α-helix	trans	-49.4	-44.7	172.8	-77.5	174.4	0	0	0	112.4	L102 I104 N110 Q111 H117	L102-L106 WeakPolarHBondContact O-CG 3.17Å; L102-L106 PolarHBondContact O-N 2.89Å; L102-L106 VanDerWaalsContact O-N 3.1Å; I104-L106 VanDerWaalsContact C-N 3.34Å; I104-L106 PolarHBondContact O-N 3.08Å; L106-N110 WeakPolarHBondContact O-CA 3.45Å; L106-N110 PolarHBondContact O-N 2.97Å; L106-Q111 HydrophobicContact CD2-CB 3.66Å; L106-Q111 PolarHBondContact O-N 3.15Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.25Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.49Å
107	R	96.6	Very high	96.4	Very high	165 Å²	165	69 Å²	69	62%	0.623	36%	0.36	S	S	*	.	H	α-helix	trans	-71.4	-42.2	179	-66.9	-173.7	-65.8	-135.5	-0.2	112.5	I104 A105 Y109 N110	I104-R107 WeakPolarHBondContact O-CB 3.3Å; I104-R107 PolarHBondContact O-N 3.31Å; A105-R107 PolarHBondContact O-N 3.38Å; R107-Y109 VanDerWaalsContact C-N 3.26Å; R107-Y109 PolarHBondContact O-N 3.04Å; R107-N110 PolarHBondContact O-N 3.48Å; R107-N110 PolarHBondContact O-OD1 3.46Å
108	Y	97.1	Very high	96.4	Very high	51 Å²	51	67 Å²	67	20%	0.2	35%	0.348	C	S	.	.	H	α-helix	trans	-62.7	-36.7	179.5	-68.9	-8.4	0	0	0	112.2	I104 A105 A163 I166 K170	I104-Y108 HydrophobicContact CG2-CD1 4.19Å; I104-Y108 HydrophobicContact CG2-CD2 3.97Å; I104-Y108 HydrophobicContact CG2-CE1 3.69Å; I104-Y108 HydrophobicContact CG2-CE2 3.44Å; I104-Y108 VanDerWaalsContact CG2-CE2 3.44Å; I104-Y108 HydrophobicContact CG2-CG 4.31Å; I104-Y108 PolarHBondContact O-N 3.13Å; A105-Y108 PolarHBondContact O-N 3.47Å; A105-Y108 VanDerWaalsContact O-N 3.08Å; Y108-A163 HydrophobicContact CD2-CB 4.43Å; Y108-I166 HydrophobicContact CD1-CD1 4.13Å; Y108-I166 HydrophobicContact CE1-CD1 4.24Å; Y108-I166 HydrophobicContact CE1-CG2 4.06Å; Y108-I166 HydrophobicContact CE2-CB 4.11Å; Y108-I166 HydrophobicContact CE2-CG2 4.1Å; Y108-I166 HydrophobicContact CG-CD1 4.27Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.48Å; Y108-K170 PolarHBondContact OH-NZ 3.21Å
109	Y	97.3	Very high	96.5	Very high	64 Å²	64	67.4 Å²	67.4	25%	0.251	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	2.7	-180	-68.9	-71.9	0	0	0	114.1	A105 R107 Q111 Y142 Y147 D161 A163	A105-Y109 HydrophobicContact CB-CD2 4.5Å; A105-Y109 VanDerWaalsContact O-CD2 3.3Å; A105-Y109 WeakPolarHBondContact O-CD2 3.47Å; A105-Y109 PolarHBondContact O-N 3.07Å; R107-Y109 VanDerWaalsContact C-N 3.26Å; R107-Y109 PolarHBondContact O-N 3.04Å; Y109-Q111 PolarHBondContact O-N 3.5Å; Y109-Y142 AromaticContact CD2-CD1 3.82Å; Y109-Y142 HydrophobicContact CD2-CD1 3.82Å; Y109-Y142 AromaticContact CD2-CE1 3.56Å; Y109-Y142 HydrophobicContact CD2-CE1 3.56Å; Y109-Y142 AromaticContact CE2-CD1 3.56Å; Y109-Y142 HydrophobicContact CE2-CD1 3.56Å; Y109-Y142 AromaticContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CG 4.45Å; Y109-Y142 HydrophobicContact CG-CE1 4.38Å; Y109-Y147 HydrophobicContact CE2-CD2 4.46Å; Y109-Y147 HydrophobicContact CE2-CE2 4.08Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.32Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.34Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.42Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.46Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.14Å; Y109-D161 PolarHBondContact OH-OD2 3.1Å; Y109-A163 HydrophobicContact CD1-CB 4.21Å; Y109-A163 HydrophobicContact CD2-CB 4.45Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å
110	N	96.4	Very high	96.6	Very high	151 Å²	151	68.1 Å²	68.1	81%	0.807	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	41.4	-175.6	-57.3	-59.7	0	0	0	113	L106 R107	L106-N110 WeakPolarHBondContact O-CA 3.45Å; L106-N110 PolarHBondContact O-N 2.97Å; R107-N110 PolarHBondContact O-N 3.48Å; R107-N110 PolarHBondContact O-OD1 3.46Å
111	Q	96.5	Very high	96.6	Very high	61 Å²	61	63.1 Å²	63.1	29%	0.285	33%	0.333	S	S	.	.			trans	-89.1	155.5	-177.8	-71.2	170.5	-36.4	0	0	111.8	L106 Y109 H117 Y142 D143	L106-Q111 HydrophobicContact CD2-CB 3.66Å; L106-Q111 PolarHBondContact O-N 3.15Å; Y109-Q111 PolarHBondContact O-N 3.5Å; Q111-H117 PolarHBondContact NE2-CE1 3.25Å; Q111-H117 PolarHBondContact OE1-CE1 3.2Å; Q111-Y142 PolarHBondContact OE1-OH 3.43Å; Q111-D143 PolarHBondContact NE2-OD2 2.69Å
112	S	94.3	Very high	96.7	Very high	83 Å²	83	62.4 Å²	62.4	58%	0.58	33%	0.325	S	S	*	.			trans	-76.6	142.4	177.7	175.4	0	0	0	0	111.9	A114 G115	S112-A114 PolarHBondContact O-N 3.29Å; S112-A114 PolarHBondContact OG-N 3.08Å; S112-G115 PolarHBondContact O-N 3.44Å
113	E	92.6	Very high	96.7	Very high	163 Å²	163	63.7 Å²	63.7	76%	0.762	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.1	174.3	-61.6	-172.6	170.9	0	0	113.7	P39 G115	P39-E113 VanDerWaalsContact CB-O 3.3Å; P39-E113 WeakPolarHBondContact CB-O 3.13Å; P39-E113 WeakPolarHBondContact CG-O 3.37Å; E113-G115 VanDerWaalsContact C-N 3.31Å
114	A	93.4	Very high	96.8	Very high	83 Å²	83	57.9 Å²	57.9	69%	0.686	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-17.5	177.3	0	0	0	0	0	113	S112	S112-A114 PolarHBondContact O-N 3.29Å; S112-A114 PolarHBondContact OG-N 3.08Å
115	G	94.2	Very high	96.9	Very high	27 Å²	27	56.2 Å²	56.2	28%	0.278	30%	0.299	S	S	.	.	S	Bend	trans	-78.4	141.9	-179.6	0	0	0	0	0	113	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.5Å; S112-G115 PolarHBondContact O-N 3.44Å; E113-G115 VanDerWaalsContact C-N 3.31Å; G115-H117 PolarHBondContact O-CD2 2.04Å
116	S	97.4	Very high	97	Very high	75 Å²	75	57.4 Å²	57.4	52%	0.524	31%	0.305	S	S	.	.			trans	-82.8	133.8	164.9	180	0	0	0	0	108.7	S37	S37-S116 WeakPolarHBondContact O-CB 3.31Å; S37-S116 PolarHBondContact O-OG 2.86Å
117	H	98.3	Very high	97.1	Very high	16 Å²	16	56.1 Å²	56.1	7%	0.074	30%	0.298	C	S	.	.			trans	-133.2	152.2	-175.6	-66.5	-77	0	0	0	110.1	S37 L102 L106 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 3.04Å; S37-H117 PolarHBondContact OG-N 3.31Å; S37-H117 PolarHBondContact OG-O 3.43Å; L102-H117 HydrophobicContact CD2-CB 4.12Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.25Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.49Å; Q111-H117 PolarHBondContact NE2-CE1 3.25Å; Q111-H117 PolarHBondContact OE1-CE1 3.2Å; G115-H117 PolarHBondContact O-CD2 2.04Å; H117-Y142 HydrophobicContact CB-CE2 3.97Å; H117-Y142 VanDerWaalsContact CG-OH 3.3Å; H117-Y142 AromaticContact ND1-CZ 3.88Å; H117-Y142 PolarHBondContact ND1-OH 3.4Å; H117-D143 WeakPolarHBondContact CA-OD1 3.48Å; H117-D143 WeakPolarHBondContact CB-OD1 3.31Å; H117-D143 IonicContact CE1-OD2 3.19Å; H117-D143 IonicContact CG-OD1 3.45Å; H117-D143 IonicContact CG-OD2 3.83Å; H117-D143 IonicContact ND1-OD1 3.7Å; H117-D143 PolarHBondContact ND1-OD1 3.03Å; H117-D143 IonicContact ND1-OD2 2.66Å; H117-D143 PolarHBondContact ND1-OD2 3.1Å
118	T	98.6	Very high	97	Very high	34 Å²	34	48.5 Å²	48.5	21%	0.209	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.2	-175.1	-53.1	0	0	0	0	111	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.97Å; S35-T118 CarbonylContact O-C 3.57Å; S35-T118 VanDerWaalsContact O-CA 3.28Å; S35-T118 WeakPolarHBondContact O-CA 3.27Å; V36-T118 HydrophobicContact CG2-CG2 4.14Å; T118-Q120 HydrophobicContact CG2-CG 3.89Å; T118-Y142 CarbonylContact O-C 3.6Å; T118-Y142 WeakPolarHBondContact O-CA 3.45Å; T118-Y142 VanDerWaalsContact O-CD2 3.32Å; T118-Y142 WeakPolarHBondContact O-CD2 3.34Å; T118-D143 PolarHBondContact N-OD1 2.91Å; T118-D143 PolarHBondContact O-N 2.9Å
119	I	98.6	Very high	96.7	Very high	15 Å²	15	51 Å²	51	8%	0.077	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	134.9	162.7	-70.2	176.7	0	0	0	107.7	T34 S35 L102 A141 Y142	T34-I119 WeakPolarHBondContact CA-O 3.06Å; S35-I119 PolarHBondContact N-O 2.87Å; S35-I119 PolarHBondContact O-N 2.74Å; L102-I119 HydrophobicContact CB-CD1 4.41Å; L102-I119 HydrophobicContact CD2-CB 4.47Å; L102-I119 HydrophobicContact CD2-CD1 3.94Å; L102-I119 HydrophobicContact CD2-CG1 3.77Å; L102-I119 HydrophobicContact CG-CD1 3.79Å; L102-I119 HydrophobicContact CG-CG1 4.12Å; I119-A141 WeakPolarHBondContact CA-O 3.5Å; I119-Y142 HydrophobicContact CG1-CD2 3.71Å; I119-Y142 HydrophobicContact CG1-CE2 4.21Å
120	Q	98.7	Very high	96.5	Very high	81 Å²	81	52.5 Å²	52.5	38%	0.379	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142	172.4	-61.1	176	-98.8	0	0	109	F33 T34 T118 D140 A141	F33-Q120 CarbonylContact O-C 3.59Å; F33-Q120 VanDerWaalsContact O-CA 3.29Å; F33-Q120 WeakPolarHBondContact O-CA 3.38Å; T34-Q120 HydrophobicContact CG2-CG 4.16Å; T118-Q120 HydrophobicContact CG2-CG 3.89Å; Q120-D140 CarbonylContact O-C 3.52Å; Q120-D140 VanDerWaalsContact O-CA 3.32Å; Q120-D140 WeakPolarHBondContact O-CA 3.37Å; Q120-A141 HydrophobicContact CB-CB 4.36Å; Q120-A141 PolarHBondContact N-O 3.31Å; Q120-A141 PolarHBondContact O-N 2.74Å
121	M	98.3	Very high	96.3	Very high	15 Å²	15	46 Å²	46	7%	0.074	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	136.4	176.2	-175.2	-178.2	107.1	0	0	109.6	F32 F33 H94 Y123 Q138 Q139	F32-M121 CarbonylContact C-O 3.56Å; F32-M121 WeakPolarHBondContact CA-O 3.46Å; F33-M121 HydrophobicContact CB-CB 4.32Å; F33-M121 HydrophobicContact CD2-CE 3.56Å; F33-M121 HydrophobicContact CD2-SD 4.37Å; F33-M121 HydrophobicContact CE2-CE 3.7Å; F33-M121 PolarHBondContact N-O 2.88Å; F33-M121 PolarHBondContact O-N 3.33Å; H94-M121 PolarHBondContact CE1-SD 3.04Å; M121-Y123 HydrophobicContact CE-CD1 3.07Å; M121-Y123 HydrophobicContact CE-CE1 3.3Å; M121-Y123 HydrophobicContact CE-CG 3.89Å; M121-Q138 PolarHBondContact SD-NE2 3.02Å; M121-Q139 CarbonylContact C-O 3.57Å; M121-Q139 WeakPolarHBondContact CA-O 3.28Å
122	M	98.6	Very high	96.2	Very high	29 Å²	29	51.1 Å²	51.1	14%	0.143	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.2	170	-177.2	-80	-65.9	0	0	109.3	Y31 F32 Y137 Q138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.15Å; F32-M122 HydrophobicContact CD1-CB 3.92Å; F32-M122 HydrophobicContact CD1-CG 3.64Å; F32-M122 HydrophobicContact CE1-CB 4.07Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CG-CG 4.49Å; F32-M122 HydrophobicContact CZ-CG 3.99Å; M122-Y137 HydrophobicContact CE-CD1 4.13Å; M122-Y137 HydrophobicContact CE-CG 4.3Å; M122-Y137 HydrophobicContact SD-CG 4.47Å; M122-Q138 CarbonylContact O-C 3.58Å; M122-Q138 WeakPolarHBondContact O-CA 3.42Å; M122-Q139 HydrophobicContact CE-CG 4.29Å; M122-Q139 PolarHBondContact N-O 3.15Å; M122-Q139 PolarHBondContact O-N 2.95Å
123	Y	98.5	Very high	96.4	Very high	33 Å²	33	49.6 Å²	49.6	13%	0.129	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	158	174.8	75.1	-76.1	0	0	0	111.3	R30 Y31 F33 M121 Y137 Y183	R30-Y123 WeakPolarHBondContact CA-O 3.42Å; Y31-Y123 HydrophobicContact CD2-CE1 4.37Å; Y31-Y123 AromaticContact CD2-CE2 3.94Å; Y31-Y123 HydrophobicContact CD2-CE2 3.94Å; Y31-Y123 AromaticContact CD2-CZ 3.79Å; Y31-Y123 HydrophobicContact CG-CE1 4.01Å; Y31-Y123 HydrophobicContact CG-CE2 4.38Å; Y31-Y123 AromaticContact CG-CZ 3.77Å; Y31-Y123 PolarHBondContact N-O 3.05Å; Y31-Y123 PolarHBondContact O-N 2.89Å; Y31-Y123 VanDerWaalsContact O-N 3.1Å; F33-Y123 HydrophobicContact CD2-CE1 4.19Å; F33-Y123 HydrophobicContact CE1-CE1 4.09Å; F33-Y123 AromaticContact CE2-CE1 3.58Å; F33-Y123 HydrophobicContact CE2-CE1 3.58Å; F33-Y123 AromaticContact CZ-CE1 3.54Å; F33-Y123 HydrophobicContact CZ-CE1 3.54Å; F33-Y123 AromaticContact CZ-CZ 3.95Å; F33-Y123 WeakPolarHBondContact CZ-OH 3.46Å; M121-Y123 HydrophobicContact CE-CD1 3.07Å; M121-Y123 HydrophobicContact CE-CE1 3.3Å; M121-Y123 HydrophobicContact CE-CG 3.89Å; Y123-Y137 WeakPolarHBondContact CA-O 3.31Å; Y123-Y137 VanDerWaalsContact CB-O 3.31Å; Y123-Y137 WeakPolarHBondContact CB-O 3.2Å; Y123-Y183 AromaticContact CD2-CE1 3.85Å; Y123-Y183 HydrophobicContact CD2-CE1 3.85Å; Y123-Y183 AromaticContact CE2-CE1 3.72Å; Y123-Y183 HydrophobicContact CE2-CE1 3.72Å; Y123-Y183 AromaticContact CE2-CZ 3.92Å
124	G	98.6	Very high	96.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.5	-174.3	-177	0	0	0	0	0	114	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.32Å; G124-G136 CarbonylContact O-C 3.47Å; G124-Y137 PolarHBondContact N-O 3.45Å; G124-Y137 VanDerWaalsContact N-O 3.07Å; G124-Y137 PolarHBondContact O-N 2.85Å; G124-L184 WeakPolarHBondContact O-CD2 3.31Å
125	C	98.6	Very high	96.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	148.2	-175.1	54.1	0	0	0	0	111.3	S28 M29 L133 R135 C188	S28-C125 CarbonylContact C-O 3.5Å; S28-C125 WeakPolarHBondContact CA-O 3.26Å; M29-C125 PolarHBondContact N-O 2.87Å; M29-C125 PolarHBondContact O-N 3.29Å; C125-L133 HydrophobicContact CB-CD1 3.59Å; C125-R135 CarbonylContact C-O 3.55Å; C125-R135 WeakPolarHBondContact CA-O 3.47Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.41Å; C125-C188 PolarHBondContact N-SG 3.49Å; C125-C188 WeakPolarHBondContact SG-CB 3.47Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.49Å
126	D	98.3	Very high	97	Very high	31 Å²	31	46.4 Å²	46.4	17%	0.166	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.6	171.2	-62.3	-2.3	0	0	0	108.7	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.43Å; S28-D126 WeakPolarHBondContact CB-OD1 3.49Å; R30-D126 IonicContact CZ-OD1 3.58Å; R30-D126 IonicContact NE-OD1 3.89Å; R30-D126 PolarHBondContact NE-OD1 3.07Å; R30-D126 VanDerWaalsContact NE-OD1 3.16Å; R30-D126 VanDerWaalsContact NH2-CG 3.27Å; R30-D126 IonicContact NH2-OD1 3.66Å; R30-D126 PolarHBondContact NH2-OD1 2.8Å; R30-D126 IonicContact NH2-OD2 2.98Å; R30-D126 PolarHBondContact NH2-OD2 3.02Å; D126-L134 HydrophobicContact CB-CB 4.44Å; D126-L134 PolarHBondContact O-N 2.93Å; D126-R135 PolarHBondContact N-O 2.89Å; D126-R135 PolarHBondContact O-N 3.48Å; D126-Y137 HydrophobicContact CB-CE2 4.5Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.14Å; D126-Y137 PolarHBondContact OD2-OH 2.75Å
127	V	97.6	Very high	97	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.4	178.1	-61	0	0	0	0	111	S26 H27 R132 V189 L192	S26-V127 VanDerWaalsContact CA-O 3.31Å; S26-V127 WeakPolarHBondContact CA-O 3.16Å; H27-V127 HydrophobicContact CB-CG2 4.05Å; H27-V127 PolarHBondContact N-O 3.47Å; H27-V127 PolarHBondContact O-N 3.16Å; V127-R132 CarbonylContact C-O 3.51Å; V127-R132 WeakPolarHBondContact CA-O 3.3Å; V127-V189 HydrophobicContact CG1-CB 4.38Å; V127-V189 HydrophobicContact CG1-CG1 3.98Å; V127-V189 HydrophobicContact CG1-CG2 3.98Å; V127-L192 HydrophobicContact CB-CD2 4.33Å; V127-L192 HydrophobicContact CG1-CD2 3.93Å; V127-L192 HydrophobicContact CG2-CD2 3.58Å; V127-L192 HydrophobicContact CG2-CG 4.17Å
128	G	94.9	Very high	97	Very high	4 Å²	4	44.1 Å²	44.1	4%	0.041	22%	0.219	C	C	.	.			trans	-78.7	179.5	173.9	0	0	0	0	0	112.2	D130 G131 R132	G128-D130 PolarHBondContact O-N 2.84Å; G128-D130 VanDerWaalsContact O-N 3.16Å; G128-G131 WeakPolarHBondContact O-CA 3.35Å; G128-G131 PolarHBondContact O-N 3.32Å; G128-R132 PolarHBondContact N-O 2.95Å
129	P	92.1	Very high	97	Very high	105 Å²	105	45.9 Å²	45.9	68%	0.682	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.3	176.5	-23.4	32.7	0	0	0	114.2	A24 G25 G131	A24-P129 WeakPolarHBondContact O-CG 3.32Å; G25-P129 VanDerWaalsContact O-CA 3.24Å; G25-P129 WeakPolarHBondContact O-CA 3.47Å; G25-P129 WeakPolarHBondContact O-CG 3.34Å; P129-G131 PolarHBondContact O-N 3.33Å
130	D	91.9	Very high	97	Very high	95 Å²	95	46.5 Å²	46.5	51%	0.508	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	3.3	173.8	70.5	-11	0	0	0	113.1	G128 R132	G128-D130 PolarHBondContact O-N 2.84Å; G128-D130 VanDerWaalsContact O-N 3.16Å; D130-R132 PolarHBondContact O-N 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.06Å; D130-R132 PolarHBondContact OD1-N 2.83Å; D130-R132 WeakPolarHBondContact OD2-CD 3.28Å; D130-R132 WeakPolarHBondContact OD2-CG 3.03Å; D130-R132 IonicContact OD2-CZ 3.1Å; D130-R132 IonicContact OD2-NE 3.16Å; D130-R132 IonicContact OD2-NH1 2.62Å
131	G	92.3	Very high	97	Very high	13 Å²	13	43.5 Å²	43.5	13%	0.134	22%	0.218	C	C	.	.	S	Bend	trans	73.1	3.8	-178.1	0	0	0	0	0	114.3	G128 P129 V189 R193	G128-G131 WeakPolarHBondContact O-CA 3.35Å; G128-G131 PolarHBondContact O-N 3.32Å; P129-G131 PolarHBondContact O-N 3.33Å; G131-V189 WeakPolarHBondContact O-CG1 3.26Å; G131-R193 VanDerWaalsContact C-NH2 3.29Å; G131-R193 PolarHBondContact O-NE 2.85Å; G131-R193 PolarHBondContact O-NH2 3.4Å
132	R	95.6	Very high	97	Very high	169 Å²	169	43.5 Å²	43.5	64%	0.638	22%	0.217	S	C	*	.			trans	-79.9	149.4	-179.2	-64.4	-174.8	-178.6	159.3	-3.7	111.3	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.51Å; V127-R132 WeakPolarHBondContact CA-O 3.3Å; G128-R132 PolarHBondContact N-O 2.95Å; D130-R132 PolarHBondContact O-N 3.28Å; D130-R132 WeakPolarHBondContact OD1-CB 3.06Å; D130-R132 PolarHBondContact OD1-N 2.83Å; D130-R132 WeakPolarHBondContact OD2-CD 3.28Å; D130-R132 WeakPolarHBondContact OD2-CG 3.03Å; D130-R132 IonicContact OD2-CZ 3.1Å; D130-R132 IonicContact OD2-NE 3.16Å; D130-R132 IonicContact OD2-NH1 2.62Å; R132-L134 PolarHBondContact O-N 2.99Å
133	L	97.4	Very high	97	Very high	51 Å²	51	44.9 Å²	44.9	27%	0.267	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	124.3	175.5	-175	72.7	0	0	0	110.2	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.59Å; L133-R135 WeakPolarHBondContact CD1-O 3.32Å; L133-L154 HydrophobicContact CD2-CD1 4.16Å; L133-E185 HydrophobicContact CD2-CB 4.38Å; L133-E185 HydrophobicContact CD2-CG 3.66Å; L133-V189 HydrophobicContact CB-CG2 3.99Å; L133-V189 HydrophobicContact CD1-CG2 3.86Å
134	L	97.2	Very high	96.9	Very high	113 Å²	113	46.1 Å²	46.1	59%	0.592	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	-44.8	167.5	-64.4	178.2	0	0	0	110.6	D126 R132	D126-L134 HydrophobicContact CB-CB 4.44Å; D126-L134 PolarHBondContact O-N 2.93Å; R132-L134 PolarHBondContact O-N 2.99Å
135	R	97.3	Very high	96.9	Very high	90 Å²	90	53.8 Å²	53.8	34%	0.34	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	141.7	-176.4	-172.4	161.5	167.1	153.4	12.6	112.1	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.55Å; C125-R135 WeakPolarHBondContact CA-O 3.47Å; D126-R135 PolarHBondContact N-O 2.89Å; D126-R135 PolarHBondContact O-N 3.48Å; L133-R135 WeakPolarHBondContact CD1-O 3.32Å; R135-Y137 HydrophobicContact CB-CE2 3.94Å; R135-Y137 VanDerWaalsContact CD-CZ 3.45Å; R135-Y137 WeakPolarHBondContact CD-OH 3.18Å; R135-Y137 HydrophobicContact CG-CD2 4.34Å; R135-Y137 HydrophobicContact CG-CE1 4.11Å; R135-Y137 HydrophobicContact CG-CE2 3.65Å; R135-Y137 PolarHBondContact NE-OH 2.93Å; R135-E152 VanDerWaalsContact CZ-CD 3.48Å; R135-E152 IonicContact CZ-OE1 3.88Å; R135-E152 VanDerWaalsContact NH1-CD 3.33Å; R135-E152 IonicContact NH1-OE1 3.15Å; R135-E152 PolarHBondContact NH1-OE1 3.06Å; R135-E152 VanDerWaalsContact NH2-CG 3.32Å; R135-E152 IonicContact NH2-OE1 3.95Å; R135-E152 PolarHBondContact NH2-OE1 3.42Å
136	G	98.1	Very high	96.9	Very high	4 Å²	4	60 Å²	60	4%	0.041	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	153.3	169.8	0	0	0	0	0	111.3	G124	G124-G136 CarbonylContact O-C 3.47Å
137	Y	98	Very high	96.9	Very high	31 Å²	31	59.8 Å²	59.8	12%	0.122	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	138.5	-177.1	-58.3	-95	0	0	0	110.6	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CZ 3.34Å; R30-Y137 PolarHBondContact NH2-OH 3.44Å; M122-Y137 HydrophobicContact CE-CD1 4.13Å; M122-Y137 HydrophobicContact CE-CG 4.3Å; M122-Y137 HydrophobicContact SD-CG 4.47Å; Y123-Y137 WeakPolarHBondContact CA-O 3.31Å; Y123-Y137 VanDerWaalsContact CB-O 3.31Å; Y123-Y137 WeakPolarHBondContact CB-O 3.2Å; G124-Y137 PolarHBondContact N-O 3.45Å; G124-Y137 VanDerWaalsContact N-O 3.07Å; G124-Y137 PolarHBondContact O-N 2.85Å; D126-Y137 HydrophobicContact CB-CE2 4.5Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.14Å; D126-Y137 PolarHBondContact OD2-OH 2.75Å; R135-Y137 HydrophobicContact CB-CE2 3.94Å; R135-Y137 VanDerWaalsContact CD-CZ 3.45Å; R135-Y137 WeakPolarHBondContact CD-OH 3.18Å; R135-Y137 HydrophobicContact CG-CD2 4.34Å; R135-Y137 HydrophobicContact CG-CE1 4.11Å; R135-Y137 HydrophobicContact CG-CE2 3.65Å; R135-Y137 PolarHBondContact NE-OH 2.93Å
138	Q	98.3	Very high	97	Very high	12 Å²	12	59.9 Å²	59.9	6%	0.056	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	117.6	159.8	171.4	75.2	20.1	0	0	106.2	M121 M122 D140 L150 W157 L180	M121-Q138 PolarHBondContact SD-NE2 3.02Å; M122-Q138 CarbonylContact O-C 3.58Å; M122-Q138 WeakPolarHBondContact O-CA 3.42Å; Q138-D140 PolarHBondContact NE2-OD1 3.36Å; Q138-L150 HydrophobicContact CB-CB 3.88Å; Q138-L150 HydrophobicContact CB-CD2 4.22Å; Q138-L150 PolarHBondContact O-N 2.98Å; Q138-W157 HydrophobicContact CG-CH2 4.31Å; Q138-W157 HydrophobicContact CG-CZ3 4.27Å; Q138-L180 HydrophobicContact CB-CD1 4.17Å; Q138-L180 HydrophobicContact CG-CD1 3.85Å
139	Q	98.3	Very high	97.2	Very high	71 Å²	71	60.9 Å²	60.9	33%	0.332	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	133.6	-178.4	-55.4	-178.4	12.4	0	0	109.7	M121 M122 A149	M121-Q139 CarbonylContact C-O 3.57Å; M121-Q139 WeakPolarHBondContact CA-O 3.28Å; M122-Q139 HydrophobicContact CE-CG 4.29Å; M122-Q139 PolarHBondContact N-O 3.15Å; M122-Q139 PolarHBondContact O-N 2.95Å; Q139-A149 HydrophobicContact CB-CB 4.45Å; Q139-A149 HydrophobicContact CG-CB 3.95Å
140	D	98.4	Very high	97.5	Very high	27 Å²	27	56.4 Å²	56.4	14%	0.144	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.3	-178.3	-61.6	25.9	0	0	0	108.6	Q120 Q138 Y147 I148	Q120-D140 CarbonylContact O-C 3.52Å; Q120-D140 VanDerWaalsContact O-CA 3.32Å; Q120-D140 WeakPolarHBondContact O-CA 3.37Å; Q138-D140 PolarHBondContact NE2-OD1 3.36Å; D140-Y147 HydrophobicContact CB-CD1 4.49Å; D140-Y147 WeakPolarHBondContact O-CA 3.39Å; D140-Y147 WeakPolarHBondContact O-CB 3.39Å; D140-Y147 PolarHBondContact O-N 3.5Å; D140-I148 HydrophobicContact CB-CG2 4.01Å; D140-I148 PolarHBondContact N-O 2.96Å; D140-I148 PolarHBondContact O-N 2.84Å
141	A	98.8	Very high	97.8	Very high	18 Å²	18	54 Å²	54	15%	0.149	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	147.4	177.1	0	0	0	0	0	110.7	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.5Å; Q120-A141 HydrophobicContact CB-CB 4.36Å; Q120-A141 PolarHBondContact N-O 3.31Å; Q120-A141 PolarHBondContact O-N 2.74Å; A141-K145 CarbonylContact C-O 3.59Å; A141-K145 WeakPolarHBondContact CA-O 3.26Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.4Å
142	Y	98.6	Very high	98.1	Very high	15 Å²	15	59.7 Å²	59.7	6%	0.059	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.8	177.8	-175.3	-116	0	0	0	110.5	L102 A105 Y109 Q111 H117 T118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.28Å; A105-Y142 HydrophobicContact CB-CD2 4.09Å; A105-Y142 HydrophobicContact CB-CE1 4.15Å; A105-Y142 HydrophobicContact CB-CE2 3.62Å; Y109-Y142 AromaticContact CD2-CD1 3.82Å; Y109-Y142 HydrophobicContact CD2-CD1 3.82Å; Y109-Y142 AromaticContact CD2-CE1 3.56Å; Y109-Y142 HydrophobicContact CD2-CE1 3.56Å; Y109-Y142 AromaticContact CE2-CD1 3.56Å; Y109-Y142 HydrophobicContact CE2-CD1 3.56Å; Y109-Y142 AromaticContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CG 4.45Å; Y109-Y142 HydrophobicContact CG-CE1 4.38Å; Q111-Y142 PolarHBondContact OE1-OH 3.43Å; H117-Y142 HydrophobicContact CB-CE2 3.97Å; H117-Y142 VanDerWaalsContact CG-OH 3.3Å; H117-Y142 AromaticContact ND1-CZ 3.88Å; H117-Y142 PolarHBondContact ND1-OH 3.4Å; T118-Y142 CarbonylContact O-C 3.6Å; T118-Y142 WeakPolarHBondContact O-CA 3.45Å; T118-Y142 VanDerWaalsContact O-CD2 3.32Å; T118-Y142 WeakPolarHBondContact O-CD2 3.34Å; I119-Y142 HydrophobicContact CG1-CD2 3.71Å; I119-Y142 HydrophobicContact CG1-CE2 4.21Å; Y142-G144 PolarHBondContact O-N 2.95Å; Y142-K145 PolarHBondContact N-O 3.43Å; Y142-K145 PolarHBondContact O-N 2.98Å
143	D	98.1	Very high	98.1	Very high	59 Å²	59	55.4 Å²	55.4	32%	0.316	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	39.9	-176.1	-67.5	-22.1	0	0	0	113.3	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 2.69Å; H117-D143 WeakPolarHBondContact CA-OD1 3.48Å; H117-D143 WeakPolarHBondContact CB-OD1 3.31Å; H117-D143 IonicContact CE1-OD2 3.19Å; H117-D143 IonicContact CG-OD1 3.45Å; H117-D143 IonicContact CG-OD2 3.83Å; H117-D143 IonicContact ND1-OD1 3.7Å; H117-D143 PolarHBondContact ND1-OD1 3.03Å; H117-D143 IonicContact ND1-OD2 2.66Å; H117-D143 PolarHBondContact ND1-OD2 3.1Å; T118-D143 PolarHBondContact N-OD1 2.91Å; T118-D143 PolarHBondContact O-N 2.9Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.4Å
144	G	97.3	Very high	98.2	Very high	59 Å²	59	53.4 Å²	53.4	61%	0.608	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	10.7	178.4	0	0	0	0	0	115.1	Y142	Y142-G144 PolarHBondContact O-N 2.95Å
145	K	98.4	Very high	98.2	Very high	160 Å²	160	55.7 Å²	55.7	70%	0.696	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	144	175.6	-61.3	179.1	-176.2	176.1	0	110.4	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.59Å; A141-K145 WeakPolarHBondContact CA-O 3.26Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.4Å; Y142-K145 PolarHBondContact N-O 3.43Å; Y142-K145 PolarHBondContact O-N 2.98Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 3.4Å; K145-Y147 PolarHBondContact O-N 3.19Å
146	D	98.6	Very high	98.2	Very high	132 Å²	132	53.3 Å²	53.3	71%	0.706	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.3	135.5	173.2	-63.1	-25.7	0	0	0	110.2	A160	D146-A160 HydrophobicContact CB-CB 4.36Å; D146-A160 WeakPolarHBondContact O-CB 3.48Å
147	Y	98.7	Very high	98.3	Very high	26 Å²	26	53.6 Å²	53.6	10%	0.102	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-62.3	-179.9	179	-112.1	0	0	0	110.6	Y109 D140 K145 A160 A164 T167	Y109-Y147 HydrophobicContact CE2-CD2 4.46Å; Y109-Y147 HydrophobicContact CE2-CE2 4.08Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.32Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.34Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.42Å; D140-Y147 HydrophobicContact CB-CD1 4.49Å; D140-Y147 WeakPolarHBondContact O-CA 3.39Å; D140-Y147 WeakPolarHBondContact O-CB 3.39Å; D140-Y147 PolarHBondContact O-N 3.5Å; K145-Y147 PolarHBondContact O-N 3.19Å; Y147-A160 WeakPolarHBondContact O-CB 3.39Å; Y147-A160 PolarHBondContact O-N 2.97Å; Y147-A164 HydrophobicContact CD2-CB 3.77Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.26Å; Y147-A164 WeakPolarHBondContact O-CB 3.38Å; Y147-T167 HydrophobicContact CE1-CG2 4.29Å; Y147-T167 PolarHBondContact OH-OG1 2.81Å
148	I	98.7	Very high	98.3	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.015	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	141.3	177	-165.9	167.9	0	0	0	110.8	D140 W157 T158 T167 Q168 W171	D140-I148 HydrophobicContact CB-CG2 4.01Å; D140-I148 PolarHBondContact N-O 2.96Å; D140-I148 PolarHBondContact O-N 2.84Å; I148-W157 HydrophobicContact CD1-CB 4.25Å; I148-W157 HydrophobicContact CD1-CD2 4.37Å; I148-W157 HydrophobicContact CD1-CE3 4.16Å; I148-W157 HydrophobicContact CD1-CG 4.43Å; I148-W157 HydrophobicContact CG1-CB 4.34Å; I148-W157 HydrophobicContact CG1-CE3 3.95Å; I148-T158 WeakPolarHBondContact CA-O 3.34Å; I148-T167 HydrophobicContact CD1-CG2 4.39Å; I148-Q168 HydrophobicContact CD1-CB 3.87Å; I148-W171 HydrophobicContact CD1-CE3 4.17Å; I148-W171 HydrophobicContact CD1-CZ3 4.49Å; I148-W171 HydrophobicContact CG2-CH2 4.18Å; I148-W171 HydrophobicContact CG2-CZ3 3.88Å
149	A	98.8	Very high	98.3	Very high	26 Å²	26	56.3 Å²	56.3	22%	0.215	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	137.6	-179.8	0	0	0	0	0	111.3	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 4.45Å; Q139-A149 HydrophobicContact CG-CB 3.95Å; A149-W157 CarbonylContact O-C 3.52Å; A149-W157 WeakPolarHBondContact O-CA 3.49Å; A149-T158 PolarHBondContact N-O 2.96Å; A149-T158 PolarHBondContact O-N 3.08Å
150	L	98.8	Very high	98.3	Very high	11 Å²	11	55.7 Å²	55.7	6%	0.058	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	128.4	167.8	-175.2	67.5	0	0	0	108.7	Q138 L154 W157 A177 L180 L184	Q138-L150 HydrophobicContact CB-CB 3.88Å; Q138-L150 HydrophobicContact CB-CD2 4.22Å; Q138-L150 PolarHBondContact O-N 2.98Å; L150-L154 HydrophobicContact CD2-CB 4.48Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.33Å; L150-W157 HydrophobicContact CB-CE3 4.04Å; L150-W157 HydrophobicContact CB-CH2 4.15Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.2Å; L150-W157 HydrophobicContact CD1-CE3 4.25Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.94Å; L150-W157 HydrophobicContact CD1-CZ3 4.14Å; L150-W157 HydrophobicContact CG-CZ3 4.49Å; L150-A177 HydrophobicContact CD1-CB 3.95Å; L150-L180 HydrophobicContact CD2-CB 4.28Å; L150-L180 HydrophobicContact CD2-CD1 4.44Å; L150-L184 HydrophobicContact CD2-CD1 3.95Å
151	N	98.6	Very high	98.3	Very high	44 Å²	44	57.1 Å²	57.1	24%	0.235	32%	0.315	C	S	.	.			trans	-72.4	163.5	-180	-67.7	-28.1	0	0	0	111.4	D153 L154 S156 W157 T158	N151-D153 PolarHBondContact O-N 3.49Å; N151-D153 VanDerWaalsContact O-N 3.08Å; N151-L154 PolarHBondContact O-N 3.49Å; N151-S156 WeakPolarHBondContact CB-O 3.01Å; N151-S156 WeakPolarHBondContact CB-OG 3.23Å; N151-S156 PolarHBondContact N-O 3.07Å; N151-S156 PolarHBondContact ND2-OG 3.43Å; N151-W157 PolarHBondContact ND2-N 3.35Å; N151-T158 WeakPolarHBondContact OD1-CB 3.33Å; N151-T158 PolarHBondContact OD1-OG1 3.38Å
152	E	97.4	Very high	98.2	Very high	133 Å²	133	62.4 Å²	62.4	62%	0.621	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.4	-179.4	-66.2	-179.7	-169.1	0	0	113.7	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.48Å; R135-E152 IonicContact CZ-OE1 3.88Å; R135-E152 VanDerWaalsContact NH1-CD 3.33Å; R135-E152 IonicContact NH1-OE1 3.15Å; R135-E152 PolarHBondContact NH1-OE1 3.06Å; R135-E152 VanDerWaalsContact NH2-CG 3.32Å; R135-E152 IonicContact NH2-OE1 3.95Å; R135-E152 PolarHBondContact NH2-OE1 3.42Å; E152-L154 PolarHBondContact O-N 3.38Å
153	D	97.4	Very high	98.2	Very high	79 Å²	79	62.1 Å²	62.1	42%	0.422	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-7.8	174.4	69.2	5.2	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.49Å; N151-D153 VanDerWaalsContact O-N 3.08Å; D153-R155 WeakPolarHBondContact O-CG 3Å; D153-R155 PolarHBondContact O-N 2.9Å; D153-R155 PolarHBondContact OD1-N 3.38Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 3.3Å; D153-S156 PolarHBondContact OD1-OG 3.46Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.38Å; D153-S156 PolarHBondContact OD2-OG 3.4Å
154	L	98.1	Very high	98.2	Very high	8 Å²	8	59.3 Å²	59.3	4%	0.042	32%	0.324	C	S	.	.	S	Bend	trans	53.9	27.9	-175.3	-53.6	-179.1	0	0	0	113.6	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.16Å; L150-L154 HydrophobicContact CD2-CB 4.48Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.33Å; N151-L154 PolarHBondContact O-N 3.49Å; E152-L154 PolarHBondContact O-N 3.38Å; L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.85Å; L154-R181 HydrophobicContact CD1-CG 4.18Å; L154-L184 HydrophobicContact CD2-CD1 4.05Å; L154-E185 HydrophobicContact CD1-CG 4.17Å
155	R	97.7	Very high	98.3	Very high	161 Å²	161	59.4 Å²	59.4	61%	0.608	31%	0.309	S	S	*	.	S	Bend	trans	-135.3	-33.4	-173.9	-71.1	170.5	-176.2	-89.1	13.2	112.9	D153 R181	D153-R155 WeakPolarHBondContact O-CG 3Å; D153-R155 PolarHBondContact O-N 2.9Å; D153-R155 PolarHBondContact OD1-N 3.38Å; R155-R181 VanDerWaalsContact CZ-NH1 3.27Å
156	S	98	Very high	98.2	Very high	40 Å²	40	54.7 Å²	54.7	28%	0.28	29%	0.291	S	S	.	.			trans	-114.3	164	-177	64	0	0	0	0	111.9	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.01Å; N151-S156 WeakPolarHBondContact CB-OG 3.23Å; N151-S156 PolarHBondContact N-O 3.07Å; N151-S156 PolarHBondContact ND2-OG 3.43Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 3.3Å; D153-S156 PolarHBondContact OD1-OG 3.46Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.38Å; D153-S156 PolarHBondContact OD2-OG 3.4Å
157	W	98.7	Very high	98.2	Very high	10 Å²	10	49.2 Å²	49.2	4%	0.038	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	146.7	-175.8	-61	94.8	0	0	0	111	Q138 I148 A149 L150 N151 Q168 W171 V176 A177 L180	Q138-W157 HydrophobicContact CG-CH2 4.31Å; Q138-W157 HydrophobicContact CG-CZ3 4.27Å; I148-W157 HydrophobicContact CD1-CB 4.25Å; I148-W157 HydrophobicContact CD1-CD2 4.37Å; I148-W157 HydrophobicContact CD1-CE3 4.16Å; I148-W157 HydrophobicContact CD1-CG 4.43Å; I148-W157 HydrophobicContact CG1-CB 4.34Å; I148-W157 HydrophobicContact CG1-CE3 3.95Å; A149-W157 CarbonylContact O-C 3.52Å; A149-W157 WeakPolarHBondContact O-CA 3.49Å; L150-W157 HydrophobicContact CB-CE3 4.04Å; L150-W157 HydrophobicContact CB-CH2 4.15Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.2Å; L150-W157 HydrophobicContact CD1-CE3 4.25Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.94Å; L150-W157 HydrophobicContact CD1-CZ3 4.14Å; L150-W157 HydrophobicContact CG-CZ3 4.49Å; N151-W157 PolarHBondContact ND2-N 3.35Å; W157-Q168 HydrophobicContact CB-CG 4.05Å; W157-Q168 PolarHBondContact O-NE2 3.35Å; W157-W171 HydrophobicContact CD2-CE3 4.05Å; W157-W171 AromaticContact CE2-CE3 3.83Å; W157-W171 AromaticContact CE3-CE3 3.87Å; W157-W171 HydrophobicContact CE3-CE3 3.87Å; W157-W171 HydrophobicContact CE3-CZ3 4Å; W157-W171 HydrophobicContact CH2-CD2 4.41Å; W157-W171 AromaticContact CH2-CE3 3.22Å; W157-W171 HydrophobicContact CH2-CE3 3.22Å; W157-W171 HydrophobicContact CH2-CH2 4.47Å; W157-W171 AromaticContact CH2-CZ3 3.27Å; W157-W171 HydrophobicContact CH2-CZ3 3.27Å; W157-W171 HydrophobicContact CZ2-CD2 4.36Å; W157-W171 AromaticContact CZ2-CE3 3.44Å; W157-W171 HydrophobicContact CZ2-CE3 3.44Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.44Å; W157-W171 HydrophobicContact CZ2-CZ3 4Å; W157-W171 AromaticContact CZ3-CE3 3.49Å; W157-W171 HydrophobicContact CZ3-CE3 3.49Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.49Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; W157-V176 HydrophobicContact CH2-CG1 4.43Å; W157-V176 HydrophobicContact CZ2-CB 4.25Å; W157-V176 HydrophobicContact CZ2-CG1 4.05Å; W157-A177 HydrophobicContact CZ2-CB 4.16Å; W157-L180 HydrophobicContact CH2-CD1 3.39Å; W157-L180 HydrophobicContact CZ2-CD1 3.88Å; W157-L180 HydrophobicContact CZ3-CD1 4.48Å
158	T	98.7	Very high	98.2	Very high	78 Å²	78	49.9 Å²	49.9	48%	0.479	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	116.8	165.4	-66	0	0	0	0	108.7	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.34Å; A149-T158 PolarHBondContact N-O 2.96Å; A149-T158 PolarHBondContact O-N 3.08Å; N151-T158 WeakPolarHBondContact OD1-CB 3.33Å; N151-T158 PolarHBondContact OD1-OG1 3.38Å
159	A	98.6	Very high	98.2	Very high	23 Å²	23	57 Å²	57	19%	0.19	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	132.9	175.5	0	0	0	0	0	110.3	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.77Å; A159-Q165 HydrophobicContact CB-CG 3.97Å; A159-Q168 HydrophobicContact CB-CB 4.4Å
160	A	98.4	Very high	98.2	Very high	58 Å²	58	61.2 Å²	61.2	48%	0.479	31%	0.306	S	S	.	.	S	Bend	trans	-76	-30.2	-175.8	0	0	0	0	0	113.5	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.36Å; D146-A160 WeakPolarHBondContact O-CB 3.48Å; Y147-A160 WeakPolarHBondContact O-CB 3.39Å; Y147-A160 PolarHBondContact O-N 2.97Å
161	D	98	Very high	98.2	Very high	56 Å²	56	63.5 Å²	63.5	30%	0.299	31%	0.314	S	S	.	.	S	Bend	trans	-150.7	-176	-178.5	68.3	28.5	0	0	0	113.4	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.46Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.14Å; Y109-D161 PolarHBondContact OH-OD2 3.1Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.21Å; D161-A163 WeakPolarHBondContact OD1-CA 3.47Å; D161-A163 WeakPolarHBondContact OD1-CB 3.28Å; D161-A163 PolarHBondContact OD1-N 3.41Å; D161-A164 PolarHBondContact O-N 3.4Å; D161-A164 PolarHBondContact OD1-N 3.47Å; D161-Q165 WeakPolarHBondContact O-CG 3.4Å; D161-Q165 PolarHBondContact O-N 2.93Å
162	M	97.8	Very high	98.2	Very high	130 Å²	130	65.9 Å²	65.9	64%	0.64	32%	0.324	S	S	*	.	H	α-helix	trans	-64.9	-29	-179.1	-65.6	-57.5	-58.8	0	0	113.7	Q165	M162-Q165 PolarHBondContact SD-OE1 2.89Å
163	A	97.5	Very high	98.2	Very high	9 Å²	9	63.7 Å²	63.7	7%	0.074	33%	0.328	C	S	.	.	H	α-helix	trans	-73.5	-44.1	175.9	0	0	0	0	0	110.2	Y108 Y109 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.43Å; Y109-A163 HydrophobicContact CD1-CB 4.21Å; Y109-A163 HydrophobicContact CD2-CB 4.45Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.21Å; D161-A163 WeakPolarHBondContact OD1-CA 3.47Å; D161-A163 WeakPolarHBondContact OD1-CB 3.28Å; D161-A163 PolarHBondContact OD1-N 3.41Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.85Å; A163-I166 VanDerWaalsContact O-CB 3.3Å; A163-I166 WeakPolarHBondContact O-CB 3.45Å; A163-I166 PolarHBondContact O-N 2.79Å
164	A	98.2	Very high	98.2	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-60.2	-34.9	174.4	0	0	0	0	0	112.7	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.77Å; Y147-A164 HydrophobicContact CE2-CB 3.71Å; Y147-A164 HydrophobicContact CG-CB 4.26Å; Y147-A164 WeakPolarHBondContact O-CB 3.38Å; A159-A164 HydrophobicContact CB-CB 3.77Å; D161-A164 PolarHBondContact O-N 3.4Å; D161-A164 PolarHBondContact OD1-N 3.47Å; A164-I166 PolarHBondContact O-N 3.24Å; A164-T167 WeakPolarHBondContact O-CA 3.39Å; A164-T167 WeakPolarHBondContact O-CB 3.38Å; A164-T167 PolarHBondContact O-N 3.12Å; A164-Q168 PolarHBondContact O-N 2.86Å
165	Q	98.6	Very high	98.2	Very high	60 Å²	60	70 Å²	70	28%	0.28	36%	0.359	S	S	.	.	H	α-helix	trans	-59.6	-28.9	174	-74.8	177	17.9	0	0	113.2	A159 D161 M162 A163 T167 R169	A159-Q165 HydrophobicContact CB-CG 3.97Å; D161-Q165 WeakPolarHBondContact O-CG 3.4Å; D161-Q165 PolarHBondContact O-N 2.93Å; M162-Q165 PolarHBondContact SD-OE1 2.89Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.85Å; Q165-T167 VanDerWaalsContact C-N 3.34Å; Q165-R169 WeakPolarHBondContact O-CG 3.2Å; Q165-R169 PolarHBondContact O-N 3.12Å; Q165-R169 VanDerWaalsContact O-N 3.12Å
166	I	98.2	Very high	98.3	Very high	62 Å²	62	63.8 Å²	63.8	32%	0.318	34%	0.339	S	S	.	.	H	α-helix	trans	-66.1	-42.4	174.5	-56	171.8	0	0	0	109.7	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.13Å; Y108-I166 HydrophobicContact CE1-CD1 4.24Å; Y108-I166 HydrophobicContact CE1-CG2 4.06Å; Y108-I166 HydrophobicContact CE2-CB 4.11Å; Y108-I166 HydrophobicContact CE2-CG2 4.1Å; Y108-I166 HydrophobicContact CG-CD1 4.27Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.48Å; A163-I166 VanDerWaalsContact O-CB 3.3Å; A163-I166 WeakPolarHBondContact O-CB 3.45Å; A163-I166 PolarHBondContact O-N 2.79Å; A164-I166 PolarHBondContact O-N 3.24Å; I166-K170 WeakPolarHBondContact O-CG 3.18Å; I166-K170 PolarHBondContact O-N 3.08Å
167	T	98	Very high	98.3	Very high	16 Å²	16	62.2 Å²	62.2	10%	0.098	33%	0.328	C	S	.	.	H	α-helix	trans	-67	-45	176.5	-58.5	0	0	0	0	111.2	Y147 I148 A164 Q165 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.29Å; Y147-T167 PolarHBondContact OH-OG1 2.81Å; I148-T167 HydrophobicContact CD1-CG2 4.39Å; A164-T167 WeakPolarHBondContact O-CA 3.39Å; A164-T167 WeakPolarHBondContact O-CB 3.38Å; A164-T167 PolarHBondContact O-N 3.12Å; Q165-T167 VanDerWaalsContact C-N 3.34Å; T167-R169 PolarHBondContact O-N 3.48Å; T167-K170 WeakPolarHBondContact O-CB 3.49Å; T167-K170 PolarHBondContact O-N 2.82Å; T167-K170 VanDerWaalsContact O-N 3.09Å; T167-W171 HydrophobicContact CG2-CD2 3.96Å; T167-W171 HydrophobicContact CG2-CG 4.21Å; T167-W171 HydrophobicContact CG2-CZ2 4.12Å; T167-W171 PolarHBondContact O-N 3.33Å
168	Q	98.6	Very high	98.2	Very high	41 Å²	41	67 Å²	67	19%	0.192	35%	0.351	C	S	.	.	H	α-helix	trans	-50.7	-53	175	175.9	175.1	14.4	0	0	111.7	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.87Å; W157-Q168 HydrophobicContact CB-CG 4.05Å; W157-Q168 PolarHBondContact O-NE2 3.35Å; A159-Q168 HydrophobicContact CB-CB 4.4Å; A164-Q168 PolarHBondContact O-N 2.86Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.84Å; Q168-W171 PolarHBondContact O-N 3.2Å; Q168-W171 VanDerWaalsContact O-N 3.14Å; Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.26Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.22Å; Q168-E172 PolarHBondContact NE2-OE1 2.93Å; Q168-E172 WeakPolarHBondContact O-CB 3.49Å; Q168-E172 WeakPolarHBondContact O-CG 3.31Å; Q168-E172 PolarHBondContact O-N 3.29Å
169	R	98.6	Very high	98.2	Very high	151 Å²	151	69.9 Å²	69.9	57%	0.57	36%	0.359	S	S	*	.	H	α-helix	trans	-59.9	-38.7	-179.9	-68.6	171.6	-164.2	151.1	9.3	112.5	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.2Å; Q165-R169 PolarHBondContact O-N 3.12Å; Q165-R169 VanDerWaalsContact O-N 3.12Å; T167-R169 PolarHBondContact O-N 3.48Å; R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.07Å; R169-A173 PolarHBondContact O-N 2.94Å
170	K	98.1	Very high	98.1	Very high	116 Å²	116	70.3 Å²	70.3	50%	0.504	36%	0.358	S	S	.	.	H	α-helix	trans	-65.8	-44.6	176.3	-72.8	177.2	174.6	-175.2	0	111.3	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.21Å; I166-K170 WeakPolarHBondContact O-CG 3.18Å; I166-K170 PolarHBondContact O-N 3.08Å; T167-K170 WeakPolarHBondContact O-CB 3.49Å; T167-K170 PolarHBondContact O-N 2.82Å; T167-K170 VanDerWaalsContact O-N 3.09Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.84Å; K170-A173 PolarHBondContact O-N 3.06Å; K170-A174 WeakPolarHBondContact O-CB 3.46Å; K170-A174 PolarHBondContact O-N 3.07Å
171	W	98.2	Very high	98.1	Very high	59 Å²	59	70.8 Å²	70.8	22%	0.223	35%	0.347	C	S	.	.	H	α-helix	trans	-69.9	-36.7	-178.9	-76.4	12.2	0	0	0	112.6	I148 W157 T167 Q168 A174 R175 V176	I148-W171 HydrophobicContact CD1-CE3 4.17Å; I148-W171 HydrophobicContact CD1-CZ3 4.49Å; I148-W171 HydrophobicContact CG2-CH2 4.18Å; I148-W171 HydrophobicContact CG2-CZ3 3.88Å; W157-W171 HydrophobicContact CD2-CE3 4.05Å; W157-W171 AromaticContact CE2-CE3 3.83Å; W157-W171 AromaticContact CE3-CE3 3.87Å; W157-W171 HydrophobicContact CE3-CE3 3.87Å; W157-W171 HydrophobicContact CE3-CZ3 4Å; W157-W171 HydrophobicContact CH2-CD2 4.41Å; W157-W171 AromaticContact CH2-CE3 3.22Å; W157-W171 HydrophobicContact CH2-CE3 3.22Å; W157-W171 HydrophobicContact CH2-CH2 4.47Å; W157-W171 AromaticContact CH2-CZ3 3.27Å; W157-W171 HydrophobicContact CH2-CZ3 3.27Å; W157-W171 HydrophobicContact CZ2-CD2 4.36Å; W157-W171 AromaticContact CZ2-CE3 3.44Å; W157-W171 HydrophobicContact CZ2-CE3 3.44Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.44Å; W157-W171 HydrophobicContact CZ2-CZ3 4Å; W157-W171 AromaticContact CZ3-CE3 3.49Å; W157-W171 HydrophobicContact CZ3-CE3 3.49Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.49Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; T167-W171 HydrophobicContact CG2-CD2 3.96Å; T167-W171 HydrophobicContact CG2-CG 4.21Å; T167-W171 HydrophobicContact CG2-CZ2 4.12Å; T167-W171 PolarHBondContact O-N 3.33Å; Q168-W171 PolarHBondContact O-N 3.2Å; Q168-W171 VanDerWaalsContact O-N 3.14Å; W171-A174 CarbonylContact O-C 3.57Å; W171-A174 PolarHBondContact O-N 3.17Å; W171-R175 PolarHBondContact O-N 2.8Å; W171-V176 HydrophobicContact CB-CB 4.01Å; W171-V176 HydrophobicContact CB-CG2 3.9Å; W171-V176 HydrophobicContact CD2-CB 4.48Å; W171-V176 HydrophobicContact CD2-CG1 4.29Å; W171-V176 HydrophobicContact CD2-CG2 4.48Å; W171-V176 HydrophobicContact CE3-CG1 4.44Å; W171-V176 HydrophobicContact CG-CB 4.16Å; W171-V176 HydrophobicContact CG-CG1 4.45Å; W171-V176 HydrophobicContact CG-CG2 3.86Å; W171-V176 PolarHBondContact O-N 2.91Å
172	E	98.5	Very high	98.1	Very high	94 Å²	94	71.2 Å²	71.2	44%	0.439	36%	0.358	S	S	.	.	H	α-helix	trans	-64.2	-47.6	171.8	-73.4	170.8	174.6	0	0	111.2	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.26Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.22Å; Q168-E172 PolarHBondContact NE2-OE1 2.93Å; Q168-E172 WeakPolarHBondContact O-CB 3.49Å; Q168-E172 WeakPolarHBondContact O-CG 3.31Å; Q168-E172 PolarHBondContact O-N 3.29Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 2.86Å; E172-R175 PolarHBondContact O-N 2.9Å
173	A	98.4	Very high	98.2	Very high	87 Å²	87	67.9 Å²	67.9	72%	0.719	34%	0.339	S	S	*	.	H	α-helix	trans	-61.4	-36.3	177.2	0	0	0	0	0	112.6	R169 K170 R175	R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.07Å; R169-A173 PolarHBondContact O-N 2.94Å; K170-A173 PolarHBondContact O-N 3.06Å; A173-R175 VanDerWaalsContact C-N 3.34Å
174	A	98.1	Very high	98.2	Very high	62 Å²	62	67.5 Å²	67.5	51%	0.512	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	0.2	176.6	0	0	0	0	0	114	K170 W171 E172 V176	K170-A174 WeakPolarHBondContact O-CB 3.46Å; K170-A174 PolarHBondContact O-N 3.07Å; W171-A174 CarbonylContact O-C 3.57Å; W171-A174 PolarHBondContact O-N 3.17Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 2.86Å; A174-V176 VanDerWaalsContact C-N 3.27Å; A174-V176 HydrophobicContact CB-CG2 4.09Å; A174-V176 PolarHBondContact O-N 3.01Å
175	R	97.9	Very high	98.2	Very high	158 Å²	158	71.7 Å²	71.7	60%	0.596	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	38.3	-178.7	-58	179.5	172.9	-146.9	5.9	114.2	W171 E172 A173 A177 E178	W171-R175 PolarHBondContact O-N 2.8Å; E172-R175 PolarHBondContact O-N 2.9Å; A173-R175 VanDerWaalsContact C-N 3.34Å; R175-A177 PolarHBondContact O-N 3.43Å; R175-E178 HydrophobicContact CB-CG 4.26Å; R175-E178 WeakPolarHBondContact CD-OE1 3.45Å; R175-E178 IonicContact CZ-OE1 3.88Å; R175-E178 IonicContact NE-OE1 3.34Å; R175-E178 IonicContact NH1-OE1 2.96Å; R175-E178 PolarHBondContact NH1-OE1 3.48Å; R175-E178 IonicContact NH1-OE2 3.89Å; R175-E178 WeakPolarHBondContact O-CB 3.48Å; R175-E178 PolarHBondContact O-N 3.35Å
176	V	98.2	Very high	98.2	Very high	30 Å²	30	69.8 Å²	69.8	18%	0.182	35%	0.352	C	S	.	.	H	α-helix	trans	-57.3	-36.3	-178	176.4	0	0	0	0	111.9	W157 W171 A174 E178 Q179 L180	W157-V176 HydrophobicContact CH2-CG1 4.43Å; W157-V176 HydrophobicContact CZ2-CB 4.25Å; W157-V176 HydrophobicContact CZ2-CG1 4.05Å; W171-V176 HydrophobicContact CB-CB 4.01Å; W171-V176 HydrophobicContact CB-CG2 3.9Å; W171-V176 HydrophobicContact CD2-CB 4.48Å; W171-V176 HydrophobicContact CD2-CG1 4.29Å; W171-V176 HydrophobicContact CD2-CG2 4.48Å; W171-V176 HydrophobicContact CE3-CG1 4.44Å; W171-V176 HydrophobicContact CG-CB 4.16Å; W171-V176 HydrophobicContact CG-CG1 4.45Å; W171-V176 HydrophobicContact CG-CG2 3.86Å; W171-V176 PolarHBondContact O-N 2.91Å; A174-V176 VanDerWaalsContact C-N 3.27Å; A174-V176 HydrophobicContact CB-CG2 4.09Å; A174-V176 PolarHBondContact O-N 3.01Å; V176-E178 VanDerWaalsContact C-N 3.27Å; V176-E178 PolarHBondContact O-N 2.97Å; V176-Q179 PolarHBondContact O-N 3.46Å; V176-Q179 VanDerWaalsContact O-N 3.17Å; V176-L180 HydrophobicContact CG1-CD1 3.85Å; V176-L180 HydrophobicContact CG1-CG 4.25Å; V176-L180 PolarHBondContact O-N 2.84Å
177	A	98.4	Very high	98.2	Very high	7 Å²	7	69.5 Å²	69.5	6%	0.058	35%	0.353	C	S	.	.	H	α-helix	trans	-59.8	-34.6	178.3	0	0	0	0	0	113	L150 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 3.95Å; W157-A177 HydrophobicContact CZ2-CB 4.16Å; R175-A177 PolarHBondContact O-N 3.43Å; A177-Q179 VanDerWaalsContact C-N 3.35Å; A177-Q179 PolarHBondContact O-N 2.61Å; A177-L180 PolarHBondContact O-N 2.98Å; A177-R181 WeakPolarHBondContact O-CB 3.46Å; A177-R181 PolarHBondContact O-N 2.82Å
178	E	98.1	Very high	98.2	Very high	110 Å²	110	68.7 Å²	68.7	51%	0.514	35%	0.348	S	S	.	.	H	α-helix	trans	-65.5	-39.2	178.1	-64.7	178.8	-169.4	0	0	111.4	R175 V176 A182	R175-E178 HydrophobicContact CB-CG 4.26Å; R175-E178 WeakPolarHBondContact CD-OE1 3.45Å; R175-E178 IonicContact CZ-OE1 3.88Å; R175-E178 IonicContact NE-OE1 3.34Å; R175-E178 IonicContact NH1-OE1 2.96Å; R175-E178 PolarHBondContact NH1-OE1 3.48Å; R175-E178 IonicContact NH1-OE2 3.89Å; R175-E178 WeakPolarHBondContact O-CB 3.48Å; R175-E178 PolarHBondContact O-N 3.35Å; V176-E178 VanDerWaalsContact C-N 3.27Å; V176-E178 PolarHBondContact O-N 2.97Å; E178-A182 PolarHBondContact O-N 3.1Å; E178-A182 VanDerWaalsContact O-N 3.08Å
179	Q	97.1	Very high	98.2	Very high	139 Å²	139	67 Å²	67	65%	0.65	34%	0.341	S	S	*	.	H	α-helix	trans	-69.2	-46.3	177.8	-62.3	179.4	0.3	0	0	111.6	V176 A177 R181 A182 Y183	V176-Q179 PolarHBondContact O-N 3.46Å; V176-Q179 VanDerWaalsContact O-N 3.17Å; A177-Q179 VanDerWaalsContact C-N 3.35Å; A177-Q179 PolarHBondContact O-N 2.61Å; Q179-R181 VanDerWaalsContact C-N 3.33Å; Q179-R181 PolarHBondContact O-N 3.45Å; Q179-A182 PolarHBondContact O-N 2.83Å; Q179-Y183 PolarHBondContact O-N 3.04Å; Q179-Y183 VanDerWaalsContact O-N 3.08Å
180	L	97.9	Very high	98.2	Very high	32 Å²	32	65.9 Å²	65.9	17%	0.168	34%	0.342	C	S	.	.	H	α-helix	trans	-62.5	-42.8	177.1	-70.9	170.4	0	0	0	111.3	Q138 L150 W157 V176 A177 A182 Y183 L184	Q138-L180 HydrophobicContact CB-CD1 4.17Å; Q138-L180 HydrophobicContact CG-CD1 3.85Å; L150-L180 HydrophobicContact CD2-CB 4.28Å; L150-L180 HydrophobicContact CD2-CD1 4.44Å; W157-L180 HydrophobicContact CH2-CD1 3.39Å; W157-L180 HydrophobicContact CZ2-CD1 3.88Å; W157-L180 HydrophobicContact CZ3-CD1 4.48Å; V176-L180 HydrophobicContact CG1-CD1 3.85Å; V176-L180 HydrophobicContact CG1-CG 4.25Å; V176-L180 PolarHBondContact O-N 2.84Å; A177-L180 PolarHBondContact O-N 2.98Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 2.84Å; L180-Y183 PolarHBondContact O-N 3.3Å; L180-L184 WeakPolarHBondContact O-CB 3.37Å; L180-L184 WeakPolarHBondContact O-CG 3.36Å; L180-L184 PolarHBondContact O-N 3.09Å
181	R	98.3	Very high	98.2	Very high	68 Å²	68	63.8 Å²	63.8	26%	0.257	33%	0.331	S	S	.	.	H	α-helix	trans	-59.6	-44.5	175.9	-176.1	172.1	-179.7	-125.2	-13.4	112	L154 R155 A177 Q179 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.85Å; L154-R181 HydrophobicContact CD1-CG 4.18Å; R155-R181 VanDerWaalsContact CZ-NH1 3.27Å; A177-R181 WeakPolarHBondContact O-CB 3.46Å; A177-R181 PolarHBondContact O-N 2.82Å; Q179-R181 VanDerWaalsContact C-N 3.33Å; Q179-R181 PolarHBondContact O-N 3.45Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 3.16Å; R181-L184 PolarHBondContact O-N 2.98Å; R181-E185 HydrophobicContact CG-CG 4.08Å; R181-E185 IonicContact CZ-OE1 3.47Å; R181-E185 IonicContact CZ-OE2 2.75Å; R181-E185 VanDerWaalsContact NE-CD 3.34Å; R181-E185 IonicContact NE-OE1 2.71Å; R181-E185 PolarHBondContact NE-OE1 2.88Å; R181-E185 IonicContact NE-OE2 3.38Å; R181-E185 PolarHBondContact NE-OE2 3.12Å; R181-E185 IonicContact NH2-OE1 3.31Å; R181-E185 PolarHBondContact NH2-OE1 3.35Å; R181-E185 IonicContact NH2-OE2 3.16Å; R181-E185 PolarHBondContact NH2-OE2 2.87Å; R181-E185 WeakPolarHBondContact O-CB 3.33Å; R181-E185 WeakPolarHBondContact O-CG 3.42Å; R181-E185 PolarHBondContact O-N 3.14Å
182	A	98.4	Very high	98.2	Very high	64 Å²	64	61 Å²	61	53%	0.529	32%	0.32	S	S	.	.	H	α-helix	trans	-60.6	-41	176.7	0	0	0	0	0	112.3	E178 Q179 L180 G186	E178-A182 PolarHBondContact O-N 3.1Å; E178-A182 VanDerWaalsContact O-N 3.08Å; Q179-A182 PolarHBondContact O-N 2.83Å; L180-A182 VanDerWaalsContact C-N 3.34Å; L180-A182 PolarHBondContact O-N 2.84Å; A182-G186 PolarHBondContact O-N 2.87Å; A182-G186 VanDerWaalsContact O-N 3.13Å
183	Y	98.3	Very high	98.2	Very high	60 Å²	60	62 Å²	62	24%	0.235	32%	0.32	C	S	.	.	I	π-helix	trans	-65.4	-48.5	174.2	171.7	-95	0	0	0	112.1	Y123 Q179 L180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.85Å; Y123-Y183 HydrophobicContact CD2-CE1 3.85Å; Y123-Y183 AromaticContact CE2-CE1 3.72Å; Y123-Y183 HydrophobicContact CE2-CE1 3.72Å; Y123-Y183 AromaticContact CE2-CZ 3.92Å; Q179-Y183 PolarHBondContact O-N 3.04Å; Q179-Y183 VanDerWaalsContact O-N 3.08Å; L180-Y183 PolarHBondContact O-N 3.3Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 3.16Å; Y183-G186 CarbonylContact O-C 3.55Å; Y183-G186 PolarHBondContact O-N 2.91Å; Y183-T187 HydrophobicContact CD2-CG2 3.9Å; Y183-T187 HydrophobicContact CE2-CG2 3.74Å; Y183-T187 PolarHBondContact O-N 3.37Å; Y183-T187 VanDerWaalsContact O-N 3.08Å; Y183-C188 HydrophobicContact CD1-CB 4.27Å; Y183-C188 HydrophobicContact CE1-CB 3.84Å; Y183-C188 WeakPolarHBondContact O-CB 3.36Å; Y183-C188 PolarHBondContact O-N 3.3Å
184	L	98.6	Very high	98.1	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.005	31%	0.308	C	S	.	.	I	π-helix	trans	-68.8	-39.2	-174.7	-69.3	170.6	0	0	0	112.6	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.31Å; L150-L184 HydrophobicContact CD2-CD1 3.95Å; L154-L184 HydrophobicContact CD2-CD1 4.05Å; L180-L184 WeakPolarHBondContact O-CB 3.37Å; L180-L184 WeakPolarHBondContact O-CG 3.36Å; L180-L184 PolarHBondContact O-N 3.09Å; R181-L184 PolarHBondContact O-N 2.98Å; L184-V189 WeakPolarHBondContact O-CG2 3.39Å
185	E	98.1	Very high	98.1	Very high	88 Å²	88	60.7 Å²	60.7	41%	0.411	28%	0.283	S	S	.	.	I	π-helix	trans	-78.9	-25.3	177.5	-69.4	-178.3	166.8	0	0	113.1	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.38Å; L133-E185 HydrophobicContact CD2-CG 3.66Å; L154-E185 HydrophobicContact CD1-CG 4.17Å; R181-E185 HydrophobicContact CG-CG 4.08Å; R181-E185 IonicContact CZ-OE1 3.47Å; R181-E185 IonicContact CZ-OE2 2.75Å; R181-E185 VanDerWaalsContact NE-CD 3.34Å; R181-E185 IonicContact NE-OE1 2.71Å; R181-E185 PolarHBondContact NE-OE1 2.88Å; R181-E185 IonicContact NE-OE2 3.38Å; R181-E185 PolarHBondContact NE-OE2 3.12Å; R181-E185 IonicContact NH2-OE1 3.31Å; R181-E185 PolarHBondContact NH2-OE1 3.35Å; R181-E185 IonicContact NH2-OE2 3.16Å; R181-E185 PolarHBondContact NH2-OE2 2.87Å; R181-E185 WeakPolarHBondContact O-CB 3.33Å; R181-E185 WeakPolarHBondContact O-CG 3.42Å; R181-E185 PolarHBondContact O-N 3.14Å
186	G	98.1	Very high	98.1	Very high	20 Å²	20	53.9 Å²	53.9	21%	0.206	26%	0.258	C	S	.	.	I	π-helix	trans	-109.2	-91.1	-177.9	0	0	0	0	0	112.5	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.87Å; A182-G186 VanDerWaalsContact O-N 3.13Å; Y183-G186 CarbonylContact O-C 3.55Å; Y183-G186 PolarHBondContact O-N 2.91Å; G186-C188 VanDerWaalsContact C-N 3.32Å; G186-C188 PolarHBondContact O-N 2.95Å; G186-V189 PolarHBondContact O-N 3.42Å; G186-V189 VanDerWaalsContact O-N 3.07Å; G186-E190 WeakPolarHBondContact O-CG 3.32Å; G186-E190 PolarHBondContact O-N 3.35Å
187	T	98.1	Very high	98	Very high	56 Å²	56	58.2 Å²	58.2	34%	0.344	28%	0.277	S	S	.	.	I	π-helix	trans	-51.9	-44.8	-170.6	-55.3	0	0	0	0	113.4	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.9Å; Y183-T187 HydrophobicContact CE2-CG2 3.74Å; Y183-T187 PolarHBondContact O-N 3.37Å; Y183-T187 VanDerWaalsContact O-N 3.08Å; T187-V189 PolarHBondContact O-N 3.02Å; T187-E190 PolarHBondContact O-N 2.93Å; T187-W191 VanDerWaalsContact CG2-CD1 3.46Å; T187-W191 WeakPolarHBondContact O-CB 3.36Å; T187-W191 PolarHBondContact O-N 2.98Å
188	C	98.6	Very high	97.9	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.8	-47.9	179.5	-172.9	0	0	0	0	111.6	M29 C125 Y183 G186 L192	M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 WeakPolarHBondContact CE-O 3.49Å; M29-C188 WeakPolarHBondContact CE-SG 3.46Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.41Å; C125-C188 PolarHBondContact N-SG 3.49Å; C125-C188 WeakPolarHBondContact SG-CB 3.47Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.49Å; Y183-C188 HydrophobicContact CD1-CB 4.27Å; Y183-C188 HydrophobicContact CE1-CB 3.84Å; Y183-C188 WeakPolarHBondContact O-CB 3.36Å; Y183-C188 PolarHBondContact O-N 3.3Å; G186-C188 VanDerWaalsContact C-N 3.32Å; G186-C188 PolarHBondContact O-N 2.95Å; C188-L192 VanDerWaalsContact O-CB 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.44Å; C188-L192 PolarHBondContact O-N 2.92Å
189	V	98.5	Very high	97.9	Very high	6 Å²	6	55.2 Å²	55.2	4%	0.036	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-42.1	179.6	173.6	0	0	0	0	111.3	V127 G131 L133 L184 G186 T187 L192 R193	V127-V189 HydrophobicContact CG1-CB 4.38Å; V127-V189 HydrophobicContact CG1-CG1 3.98Å; V127-V189 HydrophobicContact CG1-CG2 3.98Å; G131-V189 WeakPolarHBondContact O-CG1 3.26Å; L133-V189 HydrophobicContact CB-CG2 3.99Å; L133-V189 HydrophobicContact CD1-CG2 3.86Å; L184-V189 WeakPolarHBondContact O-CG2 3.39Å; G186-V189 PolarHBondContact O-N 3.42Å; G186-V189 VanDerWaalsContact O-N 3.07Å; T187-V189 PolarHBondContact O-N 3.02Å; V189-L192 PolarHBondContact O-N 3.35Å; V189-R193 VanDerWaalsContact O-CG 3.32Å; V189-R193 WeakPolarHBondContact O-CG 3.42Å; V189-R193 PolarHBondContact O-N 3.47Å
190	E	98.4	Very high	97.7	Very high	127 Å²	127	53.7 Å²	53.7	59%	0.593	26%	0.255	S	S	*	.	H	α-helix	trans	-61.9	-47.2	178.3	-71.8	175.3	173.8	0	0	112	G186 T187 R193 R194	G186-E190 WeakPolarHBondContact O-CG 3.32Å; G186-E190 PolarHBondContact O-N 3.35Å; T187-E190 PolarHBondContact O-N 2.93Å; E190-R193 PolarHBondContact O-N 3.38Å; E190-R194 PolarHBondContact O-N 3Å; E190-R194 VanDerWaalsContact O-N 3.1Å
191	W	98.3	Very high	97.5	Very high	71 Å²	71	60.8 Å²	60.8	27%	0.269	29%	0.288	S	S	.	.	H	α-helix	trans	-67.6	-41.9	177.6	-81.6	107.3	0	0	0	112.5	M29 Y83 T187 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.11Å; M29-W191 HydrophobicContact SD-CB 4.48Å; Y83-W191 AromaticContact CD2-CH2 3.51Å; Y83-W191 HydrophobicContact CD2-CH2 3.51Å; Y83-W191 HydrophobicContact CD2-CZ2 4.14Å; Y83-W191 AromaticContact CD2-CZ3 3.87Å; Y83-W191 HydrophobicContact CD2-CZ3 3.87Å; Y83-W191 HydrophobicContact CE2-CE3 4.4Å; Y83-W191 AromaticContact CE2-CH2 3.91Å; Y83-W191 HydrophobicContact CE2-CH2 3.91Å; Y83-W191 HydrophobicContact CE2-CZ2 4.43Å; Y83-W191 AromaticContact CE2-CZ3 3.88Å; Y83-W191 HydrophobicContact CE2-CZ3 3.88Å; T187-W191 VanDerWaalsContact CG2-CD1 3.46Å; T187-W191 WeakPolarHBondContact O-CB 3.36Å; T187-W191 PolarHBondContact O-N 2.98Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 2.9Å; W191-R194 WeakPolarHBondContact O-CB 3.46Å; W191-R194 PolarHBondContact O-N 3.22Å; W191-R194 VanDerWaalsContact O-N 3.14Å; W191-Y195 HydrophobicContact CB-CE2 4.08Å; W191-Y195 HydrophobicContact CE3-CD1 4.36Å; W191-Y195 AromaticContact CE3-CE1 3.43Å; W191-Y195 HydrophobicContact CE3-CE1 3.43Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.43Å; W191-Y195 HydrophobicContact CE3-CE2 4.41Å; W191-Y195 AromaticContact CE3-CZ 3.45Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.45Å; W191-Y195 AromaticContact CZ3-CE1 3.85Å; W191-Y195 HydrophobicContact CZ3-CE1 3.85Å; W191-Y195 WeakPolarHBondContact O-CD2 3.35Å; W191-Y195 VanDerWaalsContact O-CG 3.24Å; W191-Y195 PolarHBondContact O-N 3.32Å
192	L	98.6	Very high	97.2	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.3	-45.6	176.1	174.8	52.2	0	0	0	111.1	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.44Å; M29-L192 HydrophobicContact CB-CB 4.07Å; M29-L192 HydrophobicContact CB-CD1 4.01Å; M29-L192 HydrophobicContact CB-CD2 4.08Å; M29-L192 HydrophobicContact CB-CG 4.26Å; M29-L192 HydrophobicContact CE-CB 4.42Å; M29-L192 HydrophobicContact SD-CB 4.47Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; V127-L192 HydrophobicContact CB-CD2 4.33Å; V127-L192 HydrophobicContact CG1-CD2 3.93Å; V127-L192 HydrophobicContact CG2-CD2 3.58Å; V127-L192 HydrophobicContact CG2-CG 4.17Å; C188-L192 VanDerWaalsContact O-CB 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.44Å; C188-L192 PolarHBondContact O-N 2.92Å; V189-L192 PolarHBondContact O-N 3.35Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.03Å; L192-Y195 PolarHBondContact O-N 3.18Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.42Å; L192-L196 HydrophobicContact CD1-CG 3.87Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.34Å; L192-L196 VanDerWaalsContact O-CG 3.26Å; L192-L196 WeakPolarHBondContact O-CG 3.47Å; L192-L196 PolarHBondContact O-N 2.84Å
193	R	97.6	Very high	96.9	Very high	116 Å²	116	56.9 Å²	56.9	44%	0.438	26%	0.264	S	S	.	.	H	α-helix	trans	-60	-42.9	175.3	-71.8	175.1	-172.8	171.9	2.5	112.4	G131 V189 E190 W191 L196 E197	G131-R193 VanDerWaalsContact C-NH2 3.29Å; G131-R193 PolarHBondContact O-NE 2.85Å; G131-R193 PolarHBondContact O-NH2 3.4Å; V189-R193 VanDerWaalsContact O-CG 3.32Å; V189-R193 WeakPolarHBondContact O-CG 3.42Å; V189-R193 PolarHBondContact O-N 3.47Å; E190-R193 PolarHBondContact O-N 3.38Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 2.9Å; R193-L196 PolarHBondContact O-N 2.94Å; R193-E197 PolarHBondContact O-N 2.99Å
194	R	97.7	Very high	96.6	Very high	121 Å²	121	58.1 Å²	58.1	46%	0.457	27%	0.273	S	S	.	.	H	α-helix	trans	-61.4	-44.9	176.2	176.7	175.9	172.7	136.2	0.5	111.4	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.58Å; E79-R194 VanDerWaalsContact OE1-CZ 3.31Å; E79-R194 IonicContact OE1-NE 3.5Å; E79-R194 PolarHBondContact OE1-NE 3.03Å; E79-R194 IonicContact OE1-NH2 2.99Å; E79-R194 PolarHBondContact OE1-NH2 2.84Å; E79-R194 IonicContact OE2-CZ 3.77Å; E79-R194 IonicContact OE2-NE 2.79Å; E79-R194 IonicContact OE2-NH2 2.68Å; E79-R194 PolarHBondContact OE2-NH2 3.32Å; E190-R194 PolarHBondContact O-N 3Å; E190-R194 VanDerWaalsContact O-N 3.1Å; W191-R194 WeakPolarHBondContact O-CB 3.46Å; W191-R194 PolarHBondContact O-N 3.22Å; W191-R194 VanDerWaalsContact O-N 3.14Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.03Å; R194-E197 PolarHBondContact O-N 2.98Å; R194-N198 VanDerWaalsContact O-CB 3.28Å; R194-N198 WeakPolarHBondContact O-CB 3.41Å; R194-N198 PolarHBondContact O-N 3.45Å; R194-N198 PolarHBondContact O-OD1 3.33Å
195	Y	98	Very high	96.3	Very high	1 Å²	1	61.7 Å²	61.7	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-65.7	-39.1	178.2	-61.9	-25.3	0	0	0	112.5	M29 V52 F57 W75 I76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.69Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å; V52-Y195 HydrophobicContact CG2-CD2 3.95Å; V52-Y195 HydrophobicContact CG2-CG 4.48Å; F57-Y195 HydrophobicContact CD2-CE2 4.45Å; F57-Y195 HydrophobicContact CE2-CD2 4.21Å; F57-Y195 AromaticContact CE2-CE2 3.62Å; F57-Y195 HydrophobicContact CE2-CE2 3.62Å; F57-Y195 AromaticContact CE2-CZ 3.97Å; F57-Y195 HydrophobicContact CZ-CD2 4.26Å; F57-Y195 AromaticContact CZ-CE2 3.76Å; F57-Y195 HydrophobicContact CZ-CE2 3.76Å; W75-Y195 HydrophobicContact CH2-CG 4.21Å; W75-Y195 AromaticContact CZ3-CD1 3.82Å; W75-Y195 HydrophobicContact CZ3-CD1 3.82Å; W75-Y195 HydrophobicContact CZ3-CD2 4.37Å; W75-Y195 AromaticContact CZ3-CG 3.69Å; W75-Y195 HydrophobicContact CZ3-CG 3.69Å; I76-Y195 HydrophobicContact CD1-CD1 3.81Å; I76-Y195 HydrophobicContact CD1-CE1 3.32Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.32Å; Y83-Y195 PolarHBondContact OH-OH 3.39Å; W191-Y195 HydrophobicContact CB-CE2 4.08Å; W191-Y195 HydrophobicContact CE3-CD1 4.36Å; W191-Y195 AromaticContact CE3-CE1 3.43Å; W191-Y195 HydrophobicContact CE3-CE1 3.43Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.43Å; W191-Y195 HydrophobicContact CE3-CE2 4.41Å; W191-Y195 AromaticContact CE3-CZ 3.45Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.45Å; W191-Y195 AromaticContact CZ3-CE1 3.85Å; W191-Y195 HydrophobicContact CZ3-CE1 3.85Å; W191-Y195 WeakPolarHBondContact O-CD2 3.35Å; W191-Y195 VanDerWaalsContact O-CG 3.24Å; W191-Y195 PolarHBondContact O-N 3.32Å; L192-Y195 PolarHBondContact O-N 3.18Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.86Å; Y195-N198 PolarHBondContact O-N 3.02Å; Y195-G199 WeakPolarHBondContact O-CA 3.3Å; Y195-G199 PolarHBondContact O-N 2.91Å; Y195-L203 WeakPolarHBondContact O-CD1 3.39Å
196	L	96.9	Very high	96.1	Very high	14 Å²	14	60.8 Å²	60.8	7%	0.073	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-35.3	175	-71.8	169	0	0	0	112.7	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.65Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.26Å; V52-L196 HydrophobicContact CG1-CD2 4.02Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.42Å; L192-L196 HydrophobicContact CD1-CG 3.87Å; L192-L196 HydrophobicContact CG-CD1 3.99Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.34Å; L192-L196 VanDerWaalsContact O-CG 3.26Å; L192-L196 WeakPolarHBondContact O-CG 3.47Å; L192-L196 PolarHBondContact O-N 2.84Å; R193-L196 PolarHBondContact O-N 2.94Å; L196-K200 WeakPolarHBondContact O-CA 3.3Å; L196-K200 WeakPolarHBondContact O-CB 3.45Å; L196-K200 PolarHBondContact O-N 3.3Å; L196-K200 VanDerWaalsContact O-N 3.12Å; L196-L203 HydrophobicContact CD2-CB 4.11Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; L196-Q204 HydrophobicContact CD2-CG 4.47Å; L196-Q204 PolarHBondContact O-NE2 3.24Å
197	E	96.6	Very high	96	Very high	122 Å²	122	62.5 Å²	62.5	57%	0.57	29%	0.291	S	S	*	.	H	α-helix	trans	-73	-48.3	174.2	-171.6	59.5	-150.9	0	0	111.1	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.99Å; R194-E197 PolarHBondContact O-N 2.98Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.86Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 2.61Å; E197-K200 WeakPolarHBondContact O-CB 3.41Å; E197-K200 PolarHBondContact O-N 3.17Å
198	N	97	Very high	95.9	Very high	51 Å²	51	61.9 Å²	61.9	27%	0.273	29%	0.292	S	S	.	.	H	α-helix	trans	-58.3	-40.6	178.2	-79.3	2.6	0	0	0	112.9	W75 Q78 E79 R194 Y195	W75-N198 WeakPolarHBondContact CB-O 3.18Å; Q78-N198 PolarHBondContact NE2-ND2 3.18Å; E79-N198 PolarHBondContact OE1-ND2 2.71Å; R194-N198 VanDerWaalsContact O-CB 3.28Å; R194-N198 WeakPolarHBondContact O-CB 3.41Å; R194-N198 PolarHBondContact O-N 3.45Å; R194-N198 PolarHBondContact O-OD1 3.33Å; Y195-N198 PolarHBondContact O-N 3.02Å
199	G	96.1	Very high	95.9	Very high	3 Å²	3	62.3 Å²	62.3	3%	0.031	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	18.1	-176.3	0	0	0	0	0	113.9	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.3Å; Y195-G199 PolarHBondContact O-N 2.91Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 2.61Å; G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 2.98Å; G199-E201 VanDerWaalsContact O-N 3.12Å; G199-T202 PolarHBondContact O-N 2.82Å; G199-L203 PolarHBondContact O-N 3.22Å
200	K	94.3	Very high	95.9	Very high	107 Å²	107	69 Å²	69	47%	0.465	32%	0.323	S	S	.	.	H	α-helix	trans	-48.7	-44	-170.6	-177	173	-173.9	170.2	0	114.4	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.3Å; L196-K200 WeakPolarHBondContact O-CB 3.45Å; L196-K200 PolarHBondContact O-N 3.3Å; L196-K200 VanDerWaalsContact O-N 3.12Å; E197-K200 WeakPolarHBondContact O-CB 3.41Å; E197-K200 PolarHBondContact O-N 3.17Å; K200-T202 PolarHBondContact O-N 2.85Å; K200-Q204 WeakPolarHBondContact O-CB 3.35Å; K200-Q204 PolarHBondContact O-N 2.94Å; K200-Q204 VanDerWaalsContact O-N 3.15Å
201	E	92.4	Very high	95.8	Very high	181 Å²	181	64.7 Å²	64.7	85%	0.846	31%	0.306	S	S	*	.	H	α-helix	trans	-65.3	-22.8	-179.8	-62.6	-174.8	165.8	0	0	113.7	G199	G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 2.98Å; G199-E201 VanDerWaalsContact O-N 3.12Å
202	T	92.1	Very high	95.6	Very high	45 Å²	45	65.1 Å²	65.1	28%	0.276	31%	0.31	S	S	.	.	H	α-helix	trans	-105.5	-43.8	-178.6	-55	0	0	0	0	112.4	G199 K200 R205	G199-T202 PolarHBondContact O-N 2.82Å; K200-T202 PolarHBondContact O-N 2.85Å; T202-R205 VanDerWaalsContact O-CG 3.32Å; T202-R205 WeakPolarHBondContact O-CG 3.21Å
203	L	93.3	Very high	95.5	Very high	4 Å²	4	66.7 Å²	66.7	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-83.9	-28.3	-172.7	-62.4	172.8	0	0	0	113	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.24Å; V52-L203 HydrophobicContact CB-CD2 4.08Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.07Å; V52-L203 HydrophobicContact CG1-CG 4.48Å; T55-L203 HydrophobicContact CG2-CD2 4.05Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.27Å; W75-L203 HydrophobicContact CZ2-CD1 3.79Å; W75-L203 HydrophobicContact CZ2-CD2 4.05Å; W75-L203 HydrophobicContact CZ2-CG 4.32Å; Y195-L203 WeakPolarHBondContact O-CD1 3.39Å; L196-L203 HydrophobicContact CD2-CB 4.11Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; G199-L203 PolarHBondContact O-N 3.22Å
204	Q	91.6	Very high	95.3	Very high	87 Å²	87	62.8 Å²	62.8	41%	0.407	31%	0.307	S	S	.	.	S	Bend	trans	-105.1	16	178.6	-57.2	-179.8	39.2	0	0	111.9	L196 K200	L196-Q204 HydrophobicContact CD2-CG 4.47Å; L196-Q204 PolarHBondContact O-NE2 3.24Å; K200-Q204 WeakPolarHBondContact O-CB 3.35Å; K200-Q204 PolarHBondContact O-N 2.94Å; K200-Q204 VanDerWaalsContact O-N 3.15Å
205	R	92.9	Very high	95.2	Very high	76 Å²	76	60 Å²	60	29%	0.287	30%	0.299	S	S	.	.			trans	-83.1	152.1	172.5	84.2	-173.2	175.5	-159	-1.6	109.8	T202 D207 Y233	T202-R205 VanDerWaalsContact O-CG 3.32Å; T202-R205 WeakPolarHBondContact O-CG 3.21Å; R205-D207 IonicContact CZ-OD2 3.62Å; R205-D207 IonicContact NE-OD2 3.47Å; R205-D207 PolarHBondContact NE-OD2 3.11Å; R205-D207 VanDerWaalsContact NE-OD2 3.15Å; R205-Y233 HydrophobicContact CG-CD1 3.88Å; R205-Y233 HydrophobicContact CG-CE1 4.26Å; R205-Y233 VanDerWaalsContact O-CD1 3.28Å; R205-Y233 WeakPolarHBondContact O-CD1 3.42Å
206	T	93.1	Very high	94.9	Very high	68 Å²	68	64.1 Å²	64.1	42%	0.417	32%	0.318	S	S	.	.			trans	-128.4	113.9	171	56.3	0	0	0	0	108.4	Y233 E288	T206-Y233 WeakPolarHBondContact CA-O 3.48Å; T206-E288 HydrophobicContact CG2-CG 4.1Å
207	D	95.4	Very high	94.7	Very high	56 Å²	56	67.2 Å²	67.2	30%	0.299	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-102.5	113.5	178.3	-63.2	-40	0	0	0	108.6	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD2 3.62Å; R205-D207 IonicContact NE-OD2 3.47Å; R205-D207 PolarHBondContact NE-OD2 3.11Å; R205-D207 VanDerWaalsContact NE-OD2 3.15Å; D207-F232 VanDerWaalsContact O-CA 3.23Å; D207-F232 WeakPolarHBondContact O-CA 3.16Å; D207-F232 WeakPolarHBondContact O-CB 3.38Å; D207-Y233 PolarHBondContact N-O 2.9Å; D207-Y233 PolarHBondContact O-N 3.49Å; D207-Y233 VanDerWaalsContact O-N 3.11Å; D207-H287 PolarHBondContact O-CE1 3.29Å; D207-H287 VanDerWaalsContact O-CE1 3.25Å
208	A	97.1	Very high	94.3	Very high	44 Å²	44	65.8 Å²	65.8	36%	0.364	35%	0.345	S	S	.	.			trans	-65.8	141.8	-179.8	0	0	0	0	0	111.7	K210 G289 L290	A208-K210 PolarHBondContact O-N 2.86Å; A208-G289 WeakPolarHBondContact CB-O 3.21Å; A208-L290 HydrophobicContact CB-CD2 3.99Å
209	P	98	Very high	93.9	Very high	9 Å²	9	65.9 Å²	65.9	6%	0.058	35%	0.35	C	S	.	.			trans	-64.2	131.6	178.9	26.4	-34.6	0	0	0	112.2	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 4.13Å; P209-T211 HydrophobicContact CG-CG2 4.31Å; P209-T211 PolarHBondContact O-N 3.32Å; P209-A229 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CD1 3.96Å; P209-F232 HydrophobicContact CB-CG 4.16Å; P209-I237 HydrophobicContact CB-CD1 4.01Å; P209-I237 HydrophobicContact CG-CD1 4.07Å; P209-V285 HydrophobicContact CG-CG1 3.95Å; P209-H287 HydrophobicContact CG-CB 4.04Å; P209-L290 HydrophobicContact CG-CD1 3.87Å; P209-L290 HydrophobicContact CG-CD2 4.41Å; P209-L290 HydrophobicContact CG-CG 4.17Å
210	K	97.9	Very high	93.5	Very high	146 Å²	146	72.9 Å²	72.9	64%	0.635	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	105	164.9	-65.6	176.8	-173.8	167.5	0	108.1	A208 L230	A208-K210 PolarHBondContact O-N 2.86Å; K210-L230 PolarHBondContact N-O 2.85Å; K210-L230 PolarHBondContact O-N 2.93Å
211	T	97.4	Very high	93.4	Very high	37 Å²	37	74.6 Å²	74.6	23%	0.227	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	140	-175.4	58.7	0	0	0	0	112.7	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 4.13Å; P209-T211 HydrophobicContact CG-CG2 4.31Å; P209-T211 PolarHBondContact O-N 3.32Å; T211-W228 WeakPolarHBondContact CA-O 3.47Å; T211-A229 HydrophobicContact CG2-CB 4.46Å; T211-V285 HydrophobicContact CG2-CB 4.44Å; T211-V285 HydrophobicContact CG2-CG1 4.22Å; T211-V285 HydrophobicContact CG2-CG2 4.05Å; T211-L294 HydrophobicContact CG2-CD1 4.19Å; T211-L296 HydrophobicContact CG2-CD1 4.04Å
212	H	94.8	Very high	93.5	Very high	79 Å²	79	70.3 Å²	70.3	37%	0.366	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	167.8	169.4	69.6	-78.4	0	0	0	110.5	W228	H212-W228 AromaticContact CD2-CD1 3.92Å; H212-W228 WeakPolarHBondContact CE1-CB 3.44Å; H212-W228 AromaticContact CE1-CD1 3.76Å; H212-W228 AromaticContact CE1-CG 3.45Å; H212-W228 VanDerWaalsContact CE1-CG 3.45Å; H212-W228 PolarHBondContact N-O 3.41Å; H212-W228 AromaticContact NE2-CD1 3.39Å; H212-W228 AromaticContact NE2-CG 3.58Å; H212-W228 AromaticContact NE2-NE1 3.95Å; H212-W228 PolarHBondContact O-N 3.49Å
213	M	95.3	Very high	93.6	Very high	33 Å²	33	68.2 Å²	68.2	16%	0.163	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	140.7	176.1	-76.1	-167.9	158.4	0	0	111.5	R226 C227 W241 C283 L296 W298	M213-R226 CarbonylContact C-O 3.56Å; M213-R226 VanDerWaalsContact CA-O 3.3Å; M213-R226 WeakPolarHBondContact CA-O 3.16Å; M213-C227 HydrophobicContact CE-CB 4.48Å; M213-W241 HydrophobicContact CE-CH2 3.15Å; M213-W241 HydrophobicContact CE-CZ2 3.93Å; M213-W241 HydrophobicContact CE-CZ3 3.59Å; M213-W241 HydrophobicContact SD-CH2 4.19Å; M213-C283 HydrophobicContact CE-CB 3.43Å; M213-C283 VanDerWaalsContact CE-CB 3.43Å; M213-L296 HydrophobicContact CE-CB 3.81Å; M213-L296 WeakPolarHBondContact CE-O 3.47Å; M213-L296 HydrophobicContact CG-CB 4.47Å; M213-L296 HydrophobicContact SD-CB 4.38Å; M213-W298 WeakPolarHBondContact SD-CA 3.45Å; M213-W298 HydrophobicContact SD-CB 3.85Å; M213-W298 PolarHBondContact SD-N 2.9Å
214	T	94.5	Very high	93.8	Very high	34 Å²	34	69 Å²	69	21%	0.209	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	146.7	166.8	68.7	0	0	0	0	110.1	H216 R226 W228	T214-H216 PolarHBondContact OG1-NE2 2.96Å; T214-H216 VanDerWaalsContact OG1-NE2 3.08Å; T214-R226 PolarHBondContact N-O 2.89Å; T214-R226 PolarHBondContact O-N 3.3Å; T214-W228 PolarHBondContact OG1-NE1 3.3Å
215	H	94.4	Very high	94.1	Very high	64 Å²	64	64.9 Å²	64.9	30%	0.296	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.9	177.5	165.8	-78.8	0	0	0	108.4	A223 L225 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.35Å; H215-L225 HydrophobicContact CB-CD2 4.03Å; H215-W298 HydrophobicContact CB-CZ2 4.11Å; H215-W298 VanDerWaalsContact CB-NE1 3.28Å; H215-W298 AromaticContact CD2-CE2 3.98Å; H215-W298 AromaticContact CD2-CZ2 3.89Å; H215-W298 AromaticContact CG-CE2 3.91Å; H215-W298 AromaticContact CG-CZ2 3.87Å
216	H	93	Very high	94.3	Very high	86 Å²	86	63.8 Å²	63.8	40%	0.398	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	113.3	178.1	-59.4	-74.1	0	0	0	109	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-NE2 2.96Å; T214-H216 VanDerWaalsContact OG1-NE2 3.08Å; H216-V218 PolarHBondContact O-N 3.16Å; H216-A223 CarbonylContact O-C 3.59Å; H216-A223 VanDerWaalsContact O-CA 3.3Å; H216-A223 WeakPolarHBondContact O-CA 3.41Å; H216-T224 PolarHBondContact N-O 3.46Å; H216-T224 PolarHBondContact O-N 3.39Å; H216-R226 PolarHBondContact NE2-NH1 3.33Å
217	A	91.2	Very high	94.5	Very high	79 Å²	79	60.5 Å²	60.5	65%	0.653	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	126.2	172.8	0	0	0	0	0	109.2
218	V	88.2	Confident	94.7	Very high	93 Å²	93	60 Å²	60	56%	0.564	32%	0.319	S	S	*	.			trans	-97.7	-40.3	177.6	-179.4	0	0	0	0	109.7	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.16Å; V218-E222 PolarHBondContact N-O 2.8Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.49Å
219	S	89.7	Confident	94.7	Very high	52 Å²	52	57.9 Å²	57.9	36%	0.364	30%	0.301	S	S	.	.	S	Bend	trans	-149	-179.6	174	71	0	0	0	0	110.3	H221 E222	S219-H221 PolarHBondContact O-N 3.18Å; S219-H221 PolarHBondContact OG-N 3.14Å; S219-E222 PolarHBondContact N-O 2.98Å; S219-E222 PolarHBondContact O-N 3.02Å; S219-E222 VanDerWaalsContact O-O 3.05Å; S219-E222 PolarHBondContact OG-N 3.29Å
220	D	87.7	Confident	94.7	Very high	150 Å²	150	59.7 Å²	59.7	80%	0.802	31%	0.31	S	S	*	.	S	Bend	trans	-62.1	-20.4	172.5	-66.3	-22.2	0	0	0	112.6	S275	D220-S275 PolarHBondContact O-OG 2.85Å; D220-S275 VanDerWaalsContact O-OG 3.06Å
221	H	91.9	Very high	94.7	Very high	144 Å²	144	54.8 Å²	54.8	67%	0.667	29%	0.294	S	S	*	.	S	Bend	trans	-105.9	-15.8	-174.8	-55.8	-45.5	0	0	0	114	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.18Å; S219-H221 PolarHBondContact OG-N 3.14Å; H221-P274 CarbonylContact O-C 3.55Å; H221-P274 WeakPolarHBondContact O-CA 3.49Å; H221-S275 PolarHBondContact O-N 3.14Å; H221-S275 PolarHBondContact O-OG 3.4Å
222	E	94.4	Very high	94.7	Very high	91 Å²	91	53 Å²	53	43%	0.425	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	144.6	-172	-65.7	-178.1	167.4	0	0	112.8	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.8Å; S219-E222 PolarHBondContact N-O 2.98Å; S219-E222 PolarHBondContact O-N 3.02Å; S219-E222 VanDerWaalsContact O-O 3.05Å; S219-E222 PolarHBondContact OG-N 3.29Å; E222-V272 HydrophobicContact CB-CG1 4.13Å; E222-V272 HydrophobicContact CG-CG1 4.34Å; E222-V273 WeakPolarHBondContact CA-O 3.48Å; E222-S275 PolarHBondContact N-OG 2.88Å
223	A	94.7	Very high	94.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	152.4	171.8	0	0	0	0	0	110.7	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.35Å; H216-A223 CarbonylContact O-C 3.59Å; H216-A223 VanDerWaalsContact O-CA 3.3Å; H216-A223 WeakPolarHBondContact O-CA 3.41Å; A223-V273 HydrophobicContact CB-CG2 4.39Å; A223-V273 PolarHBondContact N-O 3Å; A223-V273 WeakPolarHBondContact O-CG2 3.42Å; A223-V273 PolarHBondContact O-N 2.82Å
224	T	96.6	Very high	94.7	Very high	22 Å²	22	48.9 Å²	48.9	14%	0.135	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.3	168.2	-55.9	0	0	0	0	109.2	H216 V218 V271	H216-T224 PolarHBondContact N-O 3.46Å; H216-T224 PolarHBondContact O-N 3.39Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.49Å; T224-V271 WeakPolarHBondContact CA-O 3.41Å
225	L	97.2	Very high	94.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.2	164.9	-63.6	-178.5	0	0	0	108.9	H215 W241 S270 V271 V273 E278 W298	H215-L225 HydrophobicContact CB-CD2 4.03Å; L225-W241 HydrophobicContact CB-CH2 3.56Å; L225-W241 HydrophobicContact CB-CZ2 3.87Å; L225-W241 HydrophobicContact CB-CZ3 4.41Å; L225-W241 HydrophobicContact CD1-CH2 4.02Å; L225-W241 HydrophobicContact CD1-CZ3 4.2Å; L225-W241 HydrophobicContact CG-CH2 4.45Å; L225-S270 CarbonylContact O-C 3.59Å; L225-S270 WeakPolarHBondContact O-CA 3.47Å; L225-S270 WeakPolarHBondContact O-CB 3.44Å; L225-V271 HydrophobicContact CB-CG1 4.34Å; L225-V271 PolarHBondContact N-O 3.44Å; L225-V271 PolarHBondContact O-N 2.91Å; L225-V273 HydrophobicContact CD1-CG1 4.02Å; L225-V273 HydrophobicContact CD1-CG2 4.02Å; L225-V273 HydrophobicContact CG-CG1 4.23Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.05Å; L225-E278 HydrophobicContact CD1-CG 4.41Å; L225-E278 HydrophobicContact CD2-CB 4.46Å; L225-E278 HydrophobicContact CD2-CG 4.23Å; L225-W298 HydrophobicContact CD1-CB 4.38Å; L225-W298 HydrophobicContact CD2-CB 3.95Å; L225-W298 HydrophobicContact CD2-CD2 4.32Å; L225-W298 HydrophobicContact CD2-CG 3.87Å
226	R	97.6	Very high	94.8	Very high	52 Å²	52	50.4 Å²	50.4	20%	0.196	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.4	175.4	-173.1	177.6	-67.3	120.4	-0.3	110.4	M213 T214 H216 W228 W268 A269	M213-R226 CarbonylContact C-O 3.56Å; M213-R226 VanDerWaalsContact CA-O 3.3Å; M213-R226 WeakPolarHBondContact CA-O 3.16Å; T214-R226 PolarHBondContact N-O 2.89Å; T214-R226 PolarHBondContact O-N 3.3Å; H216-R226 PolarHBondContact NE2-NH1 3.33Å; R226-W228 HydrophobicContact CG-CZ2 4.44Å; R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.19Å; R226-W268 HydrophobicContact CG-CE3 3.97Å; R226-W268 HydrophobicContact CG-CG 4.27Å; R226-A269 WeakPolarHBondContact CA-O 3.29Å
227	C	97.9	Very high	95	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.5	174.9	-175.5	0	0	0	0	109	M213 W241 W268 A269 C283	M213-C227 HydrophobicContact CE-CB 4.48Å; C227-W241 HydrophobicContact CB-CZ2 3.73Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.36Å; C227-W268 VanDerWaalsContact O-CB 3.25Å; C227-W268 WeakPolarHBondContact O-CB 3.35Å; C227-A269 PolarHBondContact N-O 3.34Å; C227-A269 PolarHBondContact O-N 2.96Å; C227-C283 HydrophobicContact CB-CB 3.49Å; C227-C283 VanDerWaalsContact CB-CB 3.49Å; C227-C283 WeakPolarHBondContact CB-SG 3.38Å; C227-C283 WeakPolarHBondContact SG-CB 3.47Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.18Å
228	W	98.2	Very high	95.2	Very high	45 Å²	45	45.7 Å²	45.7	17%	0.17	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	140.7	-180	-68.8	88.4	0	0	0	110.4	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.47Å; H212-W228 AromaticContact CD2-CD1 3.92Å; H212-W228 WeakPolarHBondContact CE1-CB 3.44Å; H212-W228 AromaticContact CE1-CD1 3.76Å; H212-W228 AromaticContact CE1-CG 3.45Å; H212-W228 VanDerWaalsContact CE1-CG 3.45Å; H212-W228 PolarHBondContact N-O 3.41Å; H212-W228 AromaticContact NE2-CD1 3.39Å; H212-W228 AromaticContact NE2-CG 3.58Å; H212-W228 AromaticContact NE2-NE1 3.95Å; H212-W228 PolarHBondContact O-N 3.49Å; T214-W228 PolarHBondContact OG1-NE1 3.3Å; R226-W228 HydrophobicContact CG-CZ2 4.44Å; W228-L230 HydrophobicContact CE3-CD2 3.95Å; W228-W268 HydrophobicContact CD2-CB 3.94Å; W228-W268 HydrophobicContact CD2-CG 4.44Å; W228-W268 HydrophobicContact CE3-CB 3.86Å; W228-W268 AromaticContact CE3-CD1 3.83Å; W228-W268 HydrophobicContact CE3-CG 4.14Å; W228-W268 HydrophobicContact CG-CB 4.37Å; W228-W268 AromaticContact CH2-CD1 3.66Å; W228-W268 HydrophobicContact CH2-CG 4.27Å; W228-W268 HydrophobicContact CZ3-CB 4.29Å; W228-W268 AromaticContact CZ3-CD1 3.37Å; W228-W268 HydrophobicContact CZ3-CG 4.07Å
229	A	98.4	Very high	95.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122	163.1	0	0	0	0	0	107.7	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.88Å; T211-A229 HydrophobicContact CG2-CB 4.46Å; A229-F232 HydrophobicContact CB-CD1 4.09Å; A229-F232 HydrophobicContact CB-CE1 3.87Å; A229-F232 WeakPolarHBondContact O-CE1 3.36Å; A229-I237 HydrophobicContact CB-CD1 3.66Å; A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.21Å; A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.36Å; A229-K267 PolarHBondContact N-O 2.96Å; A229-K267 PolarHBondContact O-N 2.87Å; A229-K267 VanDerWaalsContact O-O 3.07Å
230	L	98.2	Very high	96	Very high	47 Å²	47	41.1 Å²	41.1	25%	0.246	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	155	-175.5	-59.3	179.3	0	0	0	111.1	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 2.85Å; K210-L230 PolarHBondContact O-N 2.93Å; W228-L230 HydrophobicContact CE3-CD2 3.95Å; L230-F232 VanDerWaalsContact C-N 3.31Å; L230-F232 PolarHBondContact O-N 2.71Å; L230-Q266 HydrophobicContact CD2-CB 3.57Å
231	S	97.4	Very high	96.5	Very high	42 Å²	42	34.1 Å²	34.1	29%	0.294	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.9	42.7	170.9	-54.6	0	0	0	0	113.7	F265	S231-F265 PolarHBondContact N-O 3.42Å
232	F	97.4	Very high	96.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	156.3	176.8	59.7	-90.1	0	0	0	112.4	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 VanDerWaalsContact O-CA 3.23Å; D207-F232 WeakPolarHBondContact O-CA 3.16Å; D207-F232 WeakPolarHBondContact O-CB 3.38Å; P209-F232 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CD1 3.96Å; P209-F232 HydrophobicContact CB-CG 4.16Å; A229-F232 HydrophobicContact CB-CD1 4.09Å; A229-F232 HydrophobicContact CB-CE1 3.87Å; A229-F232 WeakPolarHBondContact O-CE1 3.36Å; L230-F232 VanDerWaalsContact C-N 3.31Å; L230-F232 PolarHBondContact O-N 2.71Å; F232-P234 WeakPolarHBondContact CD2-O 3.3Å; F232-I237 HydrophobicContact CD1-CD1 3.9Å; F232-I237 HydrophobicContact CD2-CB 4.29Å; F232-I237 HydrophobicContact CD2-CD1 4.01Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE1-CG2 4.4Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.94Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 4.01Å; F232-I237 HydrophobicContact CZ-CB 4.1Å; F232-I237 HydrophobicContact CZ-CD1 3.86Å; F232-I237 HydrophobicContact CZ-CG2 3.51Å; F232-T257 HydrophobicContact CE2-CG2 4.11Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; F232-T264 WeakPolarHBondContact O-CA 3.44Å; F232-F265 VanDerWaalsContact CD1-O 3.3Å; F232-F265 WeakPolarHBondContact CD1-O 3.31Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.24Å; F232-F265 WeakPolarHBondContact CE1-O 3.43Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CE2-CG 4.46Å; F232-F265 HydrophobicContact CG-CB 4.47Å; F232-F265 HydrophobicContact CZ-CB 3.62Å; F232-F265 PolarHBondContact N-O 2.89Å; F232-F265 PolarHBondContact O-N 2.82Å; F232-K267 HydrophobicContact CE1-CB 4.34Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.83Å; F232-H287 AromaticContact CD2-NE2 3.68Å
233	Y	95.6	Very high	96.9	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.016	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-152.3	135.6	173.9	179.3	-84.4	0	0	0	109.3	D54 T55 R205 T206 D207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.39Å; T55-Y233 PolarHBondContact OG1-OH 3.01Å; T55-Y233 VanDerWaalsContact OG1-OH 3.04Å; R205-Y233 HydrophobicContact CG-CD1 3.88Å; R205-Y233 HydrophobicContact CG-CE1 4.26Å; R205-Y233 VanDerWaalsContact O-CD1 3.28Å; R205-Y233 WeakPolarHBondContact O-CD1 3.42Å; T206-Y233 WeakPolarHBondContact CA-O 3.48Å; D207-Y233 PolarHBondContact N-O 2.9Å; D207-Y233 PolarHBondContact O-N 3.49Å; D207-Y233 VanDerWaalsContact O-N 3.11Å; Y233-G263 WeakPolarHBondContact CD2-O 3.44Å; Y233-F265 HydrophobicContact CD2-CD2 4.42Å; Y233-F265 AromaticContact CD2-CE2 3.97Å; Y233-F265 HydrophobicContact CD2-CE2 3.97Å; Y233-F265 HydrophobicContact CE2-CE2 4.43Å; Y233-H287 PolarHBondContact O-CE1 3.07Å
234	P	94.6	Very high	96.9	Very high	21 Å²	21	32.7 Å²	32.7	14%	0.136	17%	0.168	C	C	.	.	S	Bend	cis	-73.7	179.6	3.7	31.2	-37.1	0	0	0	113.4	D54 F232 E236 H287	D54-P234 WeakPolarHBondContact OD2-CB 3.29Å; F232-P234 WeakPolarHBondContact CD2-O 3.3Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.08Å; P234-H287 PolarHBondContact O-NE2 3.44Å
235	A	95.9	Very high	96.6	Very high	14 Å²	14	34.1 Å²	34.1	12%	0.116	19%	0.187	C	C	.	.	S	Bend	trans	-69.7	-25.3	-175	0	0	0	0	0	113.8	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.26Å; D54-A235 VanDerWaalsContact CG-CB 3.49Å; D54-A235 VanDerWaalsContact OD2-CB 3.28Å; D54-A235 WeakPolarHBondContact OD2-CB 3.36Å; D54-A235 PolarHBondContact OD2-N 2.75Å; A235-I237 PolarHBondContact O-N 2.97Å; A235-T257 HydrophobicContact CB-CG2 4.26Å; A235-T257 WeakPolarHBondContact O-CG2 3.29Å; A235-F265 HydrophobicContact CB-CD1 3.67Å; A235-F265 HydrophobicContact CB-CD2 3.67Å; A235-F265 HydrophobicContact CB-CE1 3.67Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.7Å; A235-F265 HydrophobicContact CB-CZ 3.7Å
236	E	95.2	Very high	96.5	Very high	116 Å²	116	41.8 Å²	41.8	54%	0.542	22%	0.22	S	C	.	.			trans	-64.9	116.8	-179.9	-172.1	56.1	-142.1	0	0	110.4	P234 H287	P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.08Å; E236-H287 PolarHBondContact O-CD2 3.49Å
237	I	96.1	Very high	96.4	Very high	9 Å²	9	43.9 Å²	43.9	5%	0.046	24%	0.235	C	C	.	.			trans	-152.5	141.7	-178.1	-164.5	171.3	0	0	0	109.6	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.01Å; P209-I237 HydrophobicContact CG-CD1 4.07Å; A229-I237 HydrophobicContact CB-CD1 3.66Å; F232-I237 HydrophobicContact CD1-CD1 3.9Å; F232-I237 HydrophobicContact CD2-CB 4.29Å; F232-I237 HydrophobicContact CD2-CD1 4.01Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE1-CG2 4.4Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.94Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 4.01Å; F232-I237 HydrophobicContact CZ-CB 4.1Å; F232-I237 HydrophobicContact CZ-CD1 3.86Å; F232-I237 HydrophobicContact CZ-CG2 3.51Å; A235-I237 PolarHBondContact O-N 2.97Å; I237-L239 HydrophobicContact CD1-CD1 3.68Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.15Å; I237-K267 HydrophobicContact CG2-CB 4.22Å; I237-K267 HydrophobicContact CG2-CD 3.56Å; I237-V285 HydrophobicContact CD1-CG1 3.98Å; I237-V285 HydrophobicContact CG1-CG1 4.32Å; I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.39Å; I237-H287 HydrophobicContact CD1-CB 4.3Å; I237-H287 HydrophobicContact CG1-CB 4.07Å
238	T	96.9	Very high	96.2	Very high	58 Å²	58	45.3 Å²	45.3	36%	0.356	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.6	174.5	-64.3	0	0	0	0	110.4	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 3.95Å; T238-V285 WeakPolarHBondContact O-CA 3.49Å; T238-Q286 PolarHBondContact N-O 2.91Å; T238-Q286 PolarHBondContact O-N 3.39Å
239	L	97.4	Very high	95.7	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.037	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	121.8	172.2	-87.2	62.2	0	0	0	108.7	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.21Å; I237-L239 HydrophobicContact CD1-CD1 3.68Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.15Å; L239-L254 HydrophobicContact CB-CD1 4.13Å; L239-K267 HydrophobicContact CD1-CD 4.31Å; L239-K267 HydrophobicContact CD2-CB 4.39Å; L239-K267 HydrophobicContact CD2-CG 4.42Å; L239-A269 HydrophobicContact CB-CB 4.08Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; L239-H284 WeakPolarHBondContact CA-O 3.34Å; L239-V285 HydrophobicContact CD1-CG1 4.05Å; L239-V285 HydrophobicContact CG-CG2 4.31Å
240	T	96.8	Very high	95.3	Very high	42 Å²	42	57.7 Å²	57.7	26%	0.258	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.7	176.4	59.1	0	0	0	0	111.8	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 3.95Å; T240-C283 CarbonylContact O-C 3.56Å; T240-C283 WeakPolarHBondContact O-CA 3.28Å; T240-H284 PolarHBondContact N-O 3.48Å; T240-H284 PolarHBondContact O-N 2.94Å
241	W	97.6	Very high	94.8	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.008	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	137.6	171.3	-82.2	102.5	0	0	0	110.7	M213 L225 C227 D247 Q248 A269 V271 T282 C283	M213-W241 HydrophobicContact CE-CH2 3.15Å; M213-W241 HydrophobicContact CE-CZ2 3.93Å; M213-W241 HydrophobicContact CE-CZ3 3.59Å; M213-W241 HydrophobicContact SD-CH2 4.19Å; L225-W241 HydrophobicContact CB-CH2 3.56Å; L225-W241 HydrophobicContact CB-CZ2 3.87Å; L225-W241 HydrophobicContact CB-CZ3 4.41Å; L225-W241 HydrophobicContact CD1-CH2 4.02Å; L225-W241 HydrophobicContact CD1-CZ3 4.2Å; L225-W241 HydrophobicContact CG-CH2 4.45Å; C227-W241 HydrophobicContact CB-CZ2 3.73Å; W241-D247 WeakPolarHBondContact O-CA 3.39Å; W241-Q248 HydrophobicContact CB-CB 4.23Å; W241-Q248 PolarHBondContact O-N 3.02Å; W241-A269 PolarHBondContact NE1-O 2.95Å; W241-V271 HydrophobicContact CD2-CB 4.39Å; W241-V271 HydrophobicContact CD2-CG1 3.58Å; W241-V271 HydrophobicContact CE3-CG1 3.84Å; W241-V271 HydrophobicContact CG-CB 4.22Å; W241-V271 HydrophobicContact CG-CG1 3.91Å; W241-V271 HydrophobicContact CH2-CG1 4.33Å; W241-V271 HydrophobicContact CZ2-CG1 4.14Å; W241-V271 HydrophobicContact CZ3-CG1 4.22Å; W241-T282 WeakPolarHBondContact CA-O 3.28Å; W241-T282 VanDerWaalsContact CE3-C 3.49Å; W241-C283 HydrophobicContact CD2-CB 4.22Å; W241-C283 HydrophobicContact CE3-CB 4.19Å; W241-C283 HydrophobicContact CH2-CB 4.18Å; W241-C283 HydrophobicContact CZ2-CB 4.17Å; W241-C283 HydrophobicContact CZ3-CB 4.17Å
242	Q	97.4	Very high	94.7	Very high	41 Å²	41	59.7 Å²	59.7	19%	0.192	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	145.3	172.1	-67.8	-171.9	-6.5	0	0	110.8	K246 D247 Y281 T282 H284	Q242-K246 CarbonylContact C-O 3.5Å; Q242-K246 VanDerWaalsContact CA-O 3.22Å; Q242-K246 WeakPolarHBondContact CA-O 3.32Å; Q242-D247 VanDerWaalsContact CG-OD1 3.26Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.4Å; Q242-D247 PolarHBondContact NE2-OD1 3.18Å; Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.23Å; Q242-Y281 WeakPolarHBondContact O-CA 3.49Å; Q242-T282 PolarHBondContact N-O 3.43Å; Q242-T282 PolarHBondContact O-N 2.82Å; Q242-H284 PolarHBondContact OE1-NE2 3.07Å
243	R	96.9	Very high	94.7	Very high	70 Å²	70	65.1 Å²	65.1	26%	0.264	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	117.8	168.6	-176.2	-173.5	-178.8	172.1	-0.9	109	G245 K246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 3.47Å; R243-G245 VanDerWaalsContact O-N 3.11Å; R243-K246 PolarHBondContact N-O 3.29Å; R243-K246 PolarHBondContact O-N 3.06Å; R243-Q248 HydrophobicContact CB-CG 3.9Å; R243-R280 WeakPolarHBondContact CA-O 3.44Å; R243-R280 HydrophobicContact CG-CB 4.45Å; R243-Y281 HydrophobicContact CB-CD1 3.97Å; R243-Y281 HydrophobicContact CB-CE1 3.77Å; R243-Y281 WeakPolarHBondContact CD-OH 3.46Å; R243-Y281 HydrophobicContact CG-CD1 4.32Å; R243-Y281 HydrophobicContact CG-CE1 3.92Å; R243-Y281 HydrophobicContact CG-CE2 4.23Å; R243-Y281 PolarHBondContact NH1-OH 2.99Å
244	D	94.7	Very high	94.7	Very high	95 Å²	95	69.2 Å²	69.2	51%	0.508	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	37.2	-174.5	-47.6	-57.5	0	0	0	113.1	R280	D244-R280 PolarHBondContact N-O 2.79Å; D244-R280 WeakPolarHBondContact OD1-CB 3.37Å; D244-R280 IonicContact OD1-CZ 3.68Å; D244-R280 IonicContact OD1-NE 3.71Å; D244-R280 PolarHBondContact OD1-NE 3.45Å; D244-R280 VanDerWaalsContact OD1-NE 3.1Å; D244-R280 IonicContact OD2-CZ 3.86Å; D244-R280 IonicContact OD2-NE 3.82Å; D244-R280 PolarHBondContact OD2-NE 2.83Å; D244-R280 IonicContact OD2-NH2 3.98Å; D244-R280 PolarHBondContact OD2-NH2 2.84Å
245	G	91	Very high	94.8	Very high	52 Å²	52	69.8 Å²	69.8	54%	0.536	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	8	-178.5	0	0	0	0	0	115.9	R243	R243-G245 PolarHBondContact O-N 3.47Å; R243-G245 VanDerWaalsContact O-N 3.11Å
246	K	94.9	Very high	94.8	Very high	160 Å²	160	77.3 Å²	77.3	70%	0.696	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.3	130	174.2	-63.4	-177.5	-179.6	-180	0	111.1	Q242 R243 Q248	Q242-K246 CarbonylContact C-O 3.5Å; Q242-K246 VanDerWaalsContact CA-O 3.22Å; Q242-K246 WeakPolarHBondContact CA-O 3.32Å; R243-K246 PolarHBondContact N-O 3.29Å; R243-K246 PolarHBondContact O-N 3.06Å; K246-Q248 PolarHBondContact O-NE2 3.41Å
247	D	95	Very high	94.9	Very high	97 Å²	97	74 Å²	74	52%	0.519	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	144.4	179.7	-62.7	-27.3	0	0	0	112.2	W241 Q242	W241-D247 WeakPolarHBondContact O-CA 3.39Å; Q242-D247 VanDerWaalsContact CG-OD1 3.26Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.4Å; Q242-D247 PolarHBondContact NE2-OD1 3.18Å
248	Q	94.6	Very high	94.9	Very high	30 Å²	30	78.2 Å²	78.2	14%	0.14	40%	0.404	C	S	.	.			trans	-117	37.4	-177.9	-60	-64.6	-89.8	0	0	111.6	W241 R243 K246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.23Å; W241-Q248 PolarHBondContact O-N 3.02Å; R243-Q248 HydrophobicContact CB-CG 3.9Å; K246-Q248 PolarHBondContact O-NE2 3.41Å; Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 3.13Å; Q248-D251 PolarHBondContact O-N 3.13Å; Q248-T252 WeakPolarHBondContact O-CB 3.41Å; Q248-T252 PolarHBondContact O-N 3.37Å; Q248-T252 VanDerWaalsContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 3.23Å; Q248-Y281 HydrophobicContact CG-CE1 4.39Å
249	T	88.4	Confident	94.9	Very high	112 Å²	112	79.9 Å²	79.9	69%	0.687	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-37.5	-170.3	-47.7	0	0	0	0	114
250	Q	89.2	Confident	94.8	Very high	193 Å²	193	81.9 Å²	81.9	90%	0.902	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-31.3	-179	-68.3	-175.7	-5.9	0	0	113.2	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 3.13Å; Q250-T252 VanDerWaalsContact C-N 3.33Å
251	D	88.5	Confident	94.6	Very high	106 Å²	106	83.5 Å²	83.5	57%	0.567	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	0.8	-178.3	-54.8	-51.9	0	0	0	112.3	Q248	Q248-D251 PolarHBondContact O-N 3.13Å
252	T	94.7	Very high	94.4	Very high	24 Å²	24	88.4 Å²	88.4	15%	0.147	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	121	-179.5	-63.3	0	0	0	0	110.4	Q248 Q250 L254 A269 S270	Q248-T252 WeakPolarHBondContact O-CB 3.41Å; Q248-T252 PolarHBondContact O-N 3.37Å; Q248-T252 VanDerWaalsContact O-N 3.08Å; Q248-T252 PolarHBondContact O-OG1 3.23Å; Q250-T252 VanDerWaalsContact C-N 3.33Å; T252-L254 HydrophobicContact CG2-CB 4.39Å; T252-L254 PolarHBondContact O-N 3.23Å; T252-A269 HydrophobicContact CG2-CB 3.99Å; T252-S270 CarbonylContact C-O 3.59Å; T252-S270 WeakPolarHBondContact CA-O 3.31Å
253	E	96.4	Very high	94.1	Very high	114 Å²	114	88.3 Å²	88.3	53%	0.533	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	110.5	162.9	-174.4	-174.4	-174.6	0	0	108.7	W268 A269 S270	E253-W268 HydrophobicContact CB-CZ3 4.33Å; E253-W268 HydrophobicContact CG-CH2 3.99Å; E253-W268 HydrophobicContact CG-CZ3 3.87Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.26Å; E253-A269 CarbonylContact O-C 3.53Å; E253-A269 VanDerWaalsContact O-CA 3.32Å; E253-A269 WeakPolarHBondContact O-CA 3.37Å; E253-S270 PolarHBondContact N-O 2.87Å; E253-S270 PolarHBondContact O-N 3.21Å; E253-S270 PolarHBondContact OE2-OG 2.85Å
254	L	96.4	Very high	94	Very high	90 Å²	90	85.6 Å²	85.6	47%	0.471	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.6	178.9	-175.6	68.6	0	0	0	109.5	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.13Å; T252-L254 HydrophobicContact CG2-CB 4.39Å; T252-L254 PolarHBondContact O-N 3.23Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; L254-A269 HydrophobicContact CD1-CB 3.61Å
255	V	96.4	Very high	94.2	Very high	34 Å²	34	82.2 Å²	82.2	21%	0.206	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-84.8	153	174.1	-65.3	0	0	0	0	112.1	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.46Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 3.34Å; V255-K267 WeakPolarHBondContact O-CG 3.39Å; V255-K267 PolarHBondContact O-NZ 3.14Å; V255-W268 HydrophobicContact CB-CD2 4.46Å; V255-W268 HydrophobicContact CB-CZ2 4.35Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.22Å; V255-W268 HydrophobicContact CG1-CH2 3.47Å; V255-W268 VanDerWaalsContact CG1-CH2 3.47Å; V255-W268 HydrophobicContact CG1-CZ2 3.15Å; V255-W268 HydrophobicContact CG1-CZ3 3.97Å; V255-W268 HydrophobicContact CG2-CD2 3.7Å; V255-W268 HydrophobicContact CG2-CE3 4.38Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.34Å; V255-W268 WeakPolarHBondContact CG2-O 3.42Å; V255-W268 PolarHBondContact N-O 3.46Å
256	E	96.1	Very high	94.5	Very high	171 Å²	171	81.9 Å²	81.9	80%	0.799	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-57.4	149.7	167.4	-66.7	-172	169	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 3.27Å
257	T	97.4	Very high	94.7	Very high	46 Å²	46	75.2 Å²	75.2	28%	0.282	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-69	130.7	174.6	-56.7	0	0	0	0	108.3	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.11Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; A235-T257 HydrophobicContact CB-CG2 4.26Å; A235-T257 WeakPolarHBondContact O-CG2 3.29Å; T257-F265 HydrophobicContact CG2-CB 3.8Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; T257-K267 WeakPolarHBondContact OG1-CD 3.43Å; T257-K267 PolarHBondContact OG1-NZ 3.05Å; T257-K267 VanDerWaalsContact OG1-NZ 3.11Å
258	R	96.6	Very high	94.9	Very high	98 Å²	98	71.8 Å²	71.8	37%	0.37	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.7	-175.1	67.9	-169.1	-177.6	-166.6	2.1	111.3	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.27Å; R258-F265 WeakPolarHBondContact O-CA 3.49Å; R258-Q266 HydrophobicContact CG-CG 3.56Å; R258-Q266 PolarHBondContact N-O 3.48Å; R258-Q266 WeakPolarHBondContact O-CG 3.41Å; R258-Q266 PolarHBondContact O-N 3Å
259	P	96.6	Very high	95	Very high	94 Å²	94	70.4 Å²	70.4	61%	0.61	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	145.9	177.4	28.4	-34.4	0	0	0	111	F265	P259-F265 HydrophobicContact CB-CE1 4.27Å
260	A	95.9	Very high	95.4	Very high	48 Å²	48	65.1 Å²	65.1	40%	0.397	36%	0.364	S	S	.	.			trans	-90.1	-14.6	173.6	0	0	0	0	0	113	T264	A260-T264 WeakPolarHBondContact CB-O 3.19Å; A260-T264 PolarHBondContact N-O 3.26Å
261	G	92.1	Very high	95.8	Very high	77 Å²	77	56 Å²	56	79%	0.794	32%	0.321	S	S	*	.	S	Bend	trans	95.5	-8.2	178.6	0	0	0	0	0	114.8
262	D	92.3	Very high	96.2	Very high	104 Å²	104	54.6 Å²	54.6	56%	0.556	32%	0.316	S	S	*	.	S	Bend	trans	-105.6	13.8	177.1	61.8	-1.7	0	0	0	113	T264	D262-T264 VanDerWaalsContact C-N 3.35Å; D262-T264 WeakPolarHBondContact OD1-CB 3.3Å; D262-T264 PolarHBondContact OD1-N 2.78Å; D262-T264 PolarHBondContact OD1-OG1 2.93Å
263	G	91.3	Very high	96.3	Very high	40 Å²	40	53.5 Å²	53.5	41%	0.412	31%	0.31	S	S	.	.	S	Bend	trans	84.6	4.6	-173.6	0	0	0	0	0	114.3	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.44Å
264	T	96.4	Very high	96.2	Very high	13 Å²	13	50.1 Å²	50.1	8%	0.08	30%	0.297	C	S	.	.			trans	-107.9	172	172	73.5	0	0	0	0	112.3	F232 A260 D262	F232-T264 WeakPolarHBondContact O-CA 3.44Å; A260-T264 WeakPolarHBondContact CB-O 3.19Å; A260-T264 PolarHBondContact N-O 3.26Å; D262-T264 VanDerWaalsContact C-N 3.35Å; D262-T264 WeakPolarHBondContact OD1-CB 3.3Å; D262-T264 PolarHBondContact OD1-N 2.78Å; D262-T264 PolarHBondContact OD1-OG1 2.93Å
265	F	97.9	Very high	96	Very high	24 Å²	24	48.3 Å²	48.3	11%	0.105	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	162.2	-177.8	-63.6	-85.8	0	0	0	112.3	D54 S231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.8Å; D54-F265 HydrophobicContact CB-CZ 3.62Å; S231-F265 PolarHBondContact N-O 3.42Å; F232-F265 VanDerWaalsContact CD1-O 3.3Å; F232-F265 WeakPolarHBondContact CD1-O 3.31Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.24Å; F232-F265 WeakPolarHBondContact CE1-O 3.43Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CE2-CG 4.46Å; F232-F265 HydrophobicContact CG-CB 4.47Å; F232-F265 HydrophobicContact CZ-CB 3.62Å; F232-F265 PolarHBondContact N-O 2.89Å; F232-F265 PolarHBondContact O-N 2.82Å; Y233-F265 HydrophobicContact CD2-CD2 4.42Å; Y233-F265 AromaticContact CD2-CE2 3.97Å; Y233-F265 HydrophobicContact CD2-CE2 3.97Å; Y233-F265 HydrophobicContact CE2-CE2 4.43Å; A235-F265 HydrophobicContact CB-CD1 3.67Å; A235-F265 HydrophobicContact CB-CD2 3.67Å; A235-F265 HydrophobicContact CB-CE1 3.67Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.7Å; A235-F265 HydrophobicContact CB-CZ 3.7Å; T257-F265 HydrophobicContact CG2-CB 3.8Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; R258-F265 WeakPolarHBondContact O-CA 3.49Å; P259-F265 HydrophobicContact CB-CE1 4.27Å
266	Q	98.1	Very high	95.7	Very high	44 Å²	44	49.9 Å²	49.9	21%	0.206	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	146.5	174.1	46	169	-25	0	0	110	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.31Å; A229-Q266 WeakPolarHBondContact O-CA 3.36Å; L230-Q266 HydrophobicContact CD2-CB 3.57Å; R258-Q266 HydrophobicContact CG-CG 3.56Å; R258-Q266 PolarHBondContact N-O 3.48Å; R258-Q266 WeakPolarHBondContact O-CG 3.41Å; R258-Q266 PolarHBondContact O-N 3Å
267	K	98.4	Very high	95.6	Very high	21 Å²	21	44.5 Å²	44.5	9%	0.091	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	153.6	177	-162.3	-177.2	-170.4	69	0	109.1	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.96Å; A229-K267 PolarHBondContact O-N 2.87Å; A229-K267 VanDerWaalsContact O-O 3.07Å; F232-K267 HydrophobicContact CE1-CB 4.34Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.22Å; I237-K267 HydrophobicContact CG2-CD 3.56Å; L239-K267 HydrophobicContact CD1-CD 4.31Å; L239-K267 HydrophobicContact CD2-CB 4.39Å; L239-K267 HydrophobicContact CD2-CG 4.42Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; V255-K267 HydrophobicContact CG2-CG 4.46Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 3.34Å; V255-K267 WeakPolarHBondContact O-CG 3.39Å; V255-K267 PolarHBondContact O-NZ 3.14Å; T257-K267 WeakPolarHBondContact OG1-CD 3.43Å; T257-K267 PolarHBondContact OG1-NZ 3.05Å; T257-K267 VanDerWaalsContact OG1-NZ 3.11Å
268	W	98.1	Very high	95.4	Very high	25 Å²	25	43.1 Å²	43.1	10%	0.095	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	157.7	169.2	59	-99.2	0	0	0	111.5	R226 C227 W228 E253 V255 S270	R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.19Å; R226-W268 HydrophobicContact CG-CE3 3.97Å; R226-W268 HydrophobicContact CG-CG 4.27Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.36Å; C227-W268 VanDerWaalsContact O-CB 3.25Å; C227-W268 WeakPolarHBondContact O-CB 3.35Å; W228-W268 HydrophobicContact CD2-CB 3.94Å; W228-W268 HydrophobicContact CD2-CG 4.44Å; W228-W268 HydrophobicContact CE3-CB 3.86Å; W228-W268 AromaticContact CE3-CD1 3.83Å; W228-W268 HydrophobicContact CE3-CG 4.14Å; W228-W268 HydrophobicContact CG-CB 4.37Å; W228-W268 AromaticContact CH2-CD1 3.66Å; W228-W268 HydrophobicContact CH2-CG 4.27Å; W228-W268 HydrophobicContact CZ3-CB 4.29Å; W228-W268 AromaticContact CZ3-CD1 3.37Å; W228-W268 HydrophobicContact CZ3-CG 4.07Å; E253-W268 HydrophobicContact CB-CZ3 4.33Å; E253-W268 HydrophobicContact CG-CH2 3.99Å; E253-W268 HydrophobicContact CG-CZ3 3.87Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.26Å; V255-W268 HydrophobicContact CB-CD2 4.46Å; V255-W268 HydrophobicContact CB-CZ2 4.35Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.22Å; V255-W268 HydrophobicContact CG1-CH2 3.47Å; V255-W268 VanDerWaalsContact CG1-CH2 3.47Å; V255-W268 HydrophobicContact CG1-CZ2 3.15Å; V255-W268 HydrophobicContact CG1-CZ3 3.97Å; V255-W268 HydrophobicContact CG2-CD2 3.7Å; V255-W268 HydrophobicContact CG2-CE3 4.38Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.34Å; V255-W268 WeakPolarHBondContact CG2-O 3.42Å; V255-W268 PolarHBondContact N-O 3.46Å; W268-S270 WeakPolarHBondContact CZ3-OG 3.08Å
269	A	97.9	Very high	95.3	Very high	0 Å²	0	43 Å²	43	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	133	173.3	0	0	0	0	0	108.7	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.29Å; C227-A269 PolarHBondContact N-O 3.34Å; C227-A269 PolarHBondContact O-N 2.96Å; L239-A269 HydrophobicContact CB-CB 4.08Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; W241-A269 PolarHBondContact NE1-O 2.95Å; T252-A269 HydrophobicContact CG2-CB 3.99Å; E253-A269 CarbonylContact O-C 3.53Å; E253-A269 VanDerWaalsContact O-CA 3.32Å; E253-A269 WeakPolarHBondContact O-CA 3.37Å; L254-A269 HydrophobicContact CD1-CB 3.61Å
270	S	97.3	Very high	95.2	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.014	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	151.7	174.3	47.2	0	0	0	0	114	L225 T252 E253 W268	L225-S270 CarbonylContact O-C 3.59Å; L225-S270 WeakPolarHBondContact O-CA 3.47Å; L225-S270 WeakPolarHBondContact O-CB 3.44Å; T252-S270 CarbonylContact C-O 3.59Å; T252-S270 WeakPolarHBondContact CA-O 3.31Å; E253-S270 PolarHBondContact N-O 2.87Å; E253-S270 PolarHBondContact O-N 3.21Å; E253-S270 PolarHBondContact OE2-OG 2.85Å; W268-S270 WeakPolarHBondContact CZ3-OG 3.08Å
271	V	97.3	Very high	95.3	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	141.8	176.6	61.8	0	0	0	0	108.9	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.41Å; L225-V271 HydrophobicContact CB-CG1 4.34Å; L225-V271 PolarHBondContact N-O 3.44Å; L225-V271 PolarHBondContact O-N 2.91Å; W241-V271 HydrophobicContact CD2-CB 4.39Å; W241-V271 HydrophobicContact CD2-CG1 3.58Å; W241-V271 HydrophobicContact CE3-CG1 3.84Å; W241-V271 HydrophobicContact CG-CB 4.22Å; W241-V271 HydrophobicContact CG-CG1 3.91Å; W241-V271 HydrophobicContact CH2-CG1 4.33Å; W241-V271 HydrophobicContact CZ2-CG1 4.14Å; W241-V271 HydrophobicContact CZ3-CG1 4.22Å; V271-V273 HydrophobicContact CG1-CG1 3.75Å; V271-V273 HydrophobicContact CG2-CG1 4.37Å; V271-Y281 HydrophobicContact CG1-CD1 4.11Å; V271-Y281 HydrophobicContact CG2-CD1 4.42Å; V271-Y281 HydrophobicContact CG2-CE1 4.14Å
272	V	96.8	Very high	95.5	Very high	76 Å²	76	38.3 Å²	38.3	46%	0.461	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	126.7	170.7	179.1	0	0	0	0	108.3	E222	E222-V272 HydrophobicContact CB-CG1 4.13Å; E222-V272 HydrophobicContact CG-CG1 4.34Å
273	V	95.9	Very high	95.8	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.1	-175.7	-52.5	0	0	0	0	110.6	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.48Å; A223-V273 HydrophobicContact CB-CG2 4.39Å; A223-V273 PolarHBondContact N-O 3Å; A223-V273 WeakPolarHBondContact O-CG2 3.42Å; A223-V273 PolarHBondContact O-N 2.82Å; L225-V273 HydrophobicContact CD1-CG1 4.02Å; L225-V273 HydrophobicContact CD1-CG2 4.02Å; L225-V273 HydrophobicContact CG-CG1 4.23Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; V271-V273 HydrophobicContact CG1-CG1 3.75Å; V271-V273 HydrophobicContact CG2-CG1 4.37Å; V273-E278 HydrophobicContact CG2-CG 3.96Å; V273-Y281 HydrophobicContact CB-CD2 3.96Å; V273-Y281 HydrophobicContact CB-CE2 3.62Å; V273-Y281 HydrophobicContact CG1-CD1 3.8Å; V273-Y281 HydrophobicContact CG1-CD2 3.53Å; V273-Y281 HydrophobicContact CG1-CE1 3.76Å; V273-Y281 HydrophobicContact CG1-CE2 3.48Å; V273-Y281 VanDerWaalsContact CG1-CE2 3.48Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274	P	95.4	Very high	96.1	Very high	42 Å²	42	33 Å²	33	27%	0.273	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	138.1	170.5	-20.1	32.2	0	0	0	111.1	H221 G276 Q277	H221-P274 CarbonylContact O-C 3.55Å; H221-P274 WeakPolarHBondContact O-CA 3.49Å; P274-G276 PolarHBondContact O-N 2.84Å; P274-Q277 HydrophobicContact CB-CB 4.41Å; P274-Q277 HydrophobicContact CB-CG 4.19Å; P274-Q277 WeakPolarHBondContact O-CB 3.44Å; P274-Q277 PolarHBondContact O-N 3.26Å
275	S	91.1	Very high	96.1	Very high	53 Å²	53	32.4 Å²	32.4	37%	0.371	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	131	176	-61.4	0	0	0	0	111.1	D220 H221 E222 Q277 E278	D220-S275 PolarHBondContact O-OG 2.85Å; D220-S275 VanDerWaalsContact O-OG 3.06Å; H221-S275 PolarHBondContact O-N 3.14Å; H221-S275 PolarHBondContact O-OG 3.4Å; E222-S275 PolarHBondContact N-OG 2.88Å; S275-Q277 VanDerWaalsContact C-N 3.31Å; S275-E278 WeakPolarHBondContact CA-OE1 3.28Å
276	G	89.8	Confident	96.1	Very high	67 Å²	67	34.6 Å²	34.6	69%	0.691	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.3	-1.3	-178.3	0	0	0	0	0	114.9	P274 E278	P274-G276 PolarHBondContact O-N 2.84Å; G276-E278 WeakPolarHBondContact CA-OE2 3.11Å; G276-E278 VanDerWaalsContact N-CD 3.31Å; G276-E278 PolarHBondContact N-OE1 3.06Å; G276-E278 PolarHBondContact N-OE2 3.34Å
277	Q	94.3	Very high	96	Very high	57 Å²	57	33.3 Å²	33.3	27%	0.266	18%	0.183	S	C	.	.			trans	-105.9	6.8	174.8	-60	-168.3	38.7	0	0	113.4	P274 S275 Q279 R280 Y281	P274-Q277 HydrophobicContact CB-CB 4.41Å; P274-Q277 HydrophobicContact CB-CG 4.19Å; P274-Q277 WeakPolarHBondContact O-CB 3.44Å; P274-Q277 PolarHBondContact O-N 3.26Å; S275-Q277 VanDerWaalsContact C-N 3.31Å; Q277-Q279 PolarHBondContact O-N 2.84Å; Q277-Q279 VanDerWaalsContact O-N 3.16Å; Q277-R280 WeakPolarHBondContact O-CB 3.36Å; Q277-R280 PolarHBondContact O-N 3.4Å; Q277-Y281 HydrophobicContact CB-CE2 4.4Å; Q277-Y281 VanDerWaalsContact O-CD2 3.29Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.45Å
278	E	93.9	Very high	95.6	Very high	18 Å²	18	36.9 Å²	36.9	8%	0.084	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-55.6	-37.7	-174.8	-58.2	79.1	-173.7	0	0	111.8	L225 V273 S275 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.05Å; L225-E278 HydrophobicContact CD1-CG 4.41Å; L225-E278 HydrophobicContact CD2-CB 4.46Å; L225-E278 HydrophobicContact CD2-CG 4.23Å; V273-E278 HydrophobicContact CG2-CG 3.96Å; S275-E278 WeakPolarHBondContact CA-OE1 3.28Å; G276-E278 WeakPolarHBondContact CA-OE2 3.11Å; G276-E278 VanDerWaalsContact N-CD 3.31Å; G276-E278 PolarHBondContact N-OE1 3.06Å; G276-E278 PolarHBondContact N-OE2 3.34Å; E278-R280 PolarHBondContact O-N 2.62Å; E278-Y281 PolarHBondContact O-N 2.88Å; E278-W298 HydrophobicContact CB-CD2 4.25Å; E278-W298 HydrophobicContact CB-CE3 3.37Å; E278-W298 HydrophobicContact CB-CZ3 3.79Å; E278-W298 HydrophobicContact CG-CD2 4.48Å; E278-W298 HydrophobicContact CG-CE3 3.73Å; E278-W298 HydrophobicContact CG-CZ3 3.77Å
279	Q	93.5	Very high	95.4	Very high	96 Å²	96	36.5 Å²	36.5	45%	0.449	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-66.4	-17	-179.7	-64.1	-57	-41.8	0	0	114.4	Q277 Y281 W298	Q277-Q279 PolarHBondContact O-N 2.84Å; Q277-Q279 VanDerWaalsContact O-N 3.16Å; Q279-Y281 VanDerWaalsContact C-N 3.27Å; Q279-W298 PolarHBondContact NE2-O 3.24Å
280	R	95.8	Very high	95.2	Very high	102 Å²	102	37.7 Å²	37.7	39%	0.385	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-79.5	-14.4	175	-64.5	175.1	66.8	179.4	6.1	112.3	R243 D244 Q277 E278	R243-R280 WeakPolarHBondContact CA-O 3.44Å; R243-R280 HydrophobicContact CG-CB 4.45Å; D244-R280 PolarHBondContact N-O 2.79Å; D244-R280 WeakPolarHBondContact OD1-CB 3.37Å; D244-R280 IonicContact OD1-CZ 3.68Å; D244-R280 IonicContact OD1-NE 3.71Å; D244-R280 PolarHBondContact OD1-NE 3.45Å; D244-R280 VanDerWaalsContact OD1-NE 3.1Å; D244-R280 IonicContact OD2-CZ 3.86Å; D244-R280 IonicContact OD2-NE 3.82Å; D244-R280 PolarHBondContact OD2-NE 2.83Å; D244-R280 IonicContact OD2-NH2 3.98Å; D244-R280 PolarHBondContact OD2-NH2 2.84Å; Q277-R280 WeakPolarHBondContact O-CB 3.36Å; Q277-R280 PolarHBondContact O-N 3.4Å; E278-R280 PolarHBondContact O-N 2.62Å
281	Y	96.8	Very high	95	Very high	6 Å²	6	43.9 Å²	43.9	2%	0.024	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	133.2	-178.4	-66.1	-97.5	0	0	0	111	Q242 R243 Q248 V271 V273 Q277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.23Å; Q242-Y281 WeakPolarHBondContact O-CA 3.49Å; R243-Y281 HydrophobicContact CB-CD1 3.97Å; R243-Y281 HydrophobicContact CB-CE1 3.77Å; R243-Y281 WeakPolarHBondContact CD-OH 3.46Å; R243-Y281 HydrophobicContact CG-CD1 4.32Å; R243-Y281 HydrophobicContact CG-CE1 3.92Å; R243-Y281 HydrophobicContact CG-CE2 4.23Å; R243-Y281 PolarHBondContact NH1-OH 2.99Å; Q248-Y281 HydrophobicContact CG-CE1 4.39Å; V271-Y281 HydrophobicContact CG1-CD1 4.11Å; V271-Y281 HydrophobicContact CG2-CD1 4.42Å; V271-Y281 HydrophobicContact CG2-CE1 4.14Å; V273-Y281 HydrophobicContact CB-CD2 3.96Å; V273-Y281 HydrophobicContact CB-CE2 3.62Å; V273-Y281 HydrophobicContact CG1-CD1 3.8Å; V273-Y281 HydrophobicContact CG1-CD2 3.53Å; V273-Y281 HydrophobicContact CG1-CE1 3.76Å; V273-Y281 HydrophobicContact CG1-CE2 3.48Å; V273-Y281 VanDerWaalsContact CG1-CE2 3.48Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; Q277-Y281 HydrophobicContact CB-CE2 4.4Å; Q277-Y281 VanDerWaalsContact O-CD2 3.29Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.45Å; E278-Y281 PolarHBondContact O-N 2.88Å; Q279-Y281 VanDerWaalsContact C-N 3.27Å
282	T	97.5	Very high	94.8	Very high	12 Å²	12	51.7 Å²	51.7	7%	0.074	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.5	175.6	46.2	0	0	0	0	110.1	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.28Å; W241-T282 VanDerWaalsContact CE3-C 3.49Å; Q242-T282 PolarHBondContact N-O 3.43Å; Q242-T282 PolarHBondContact O-N 2.82Å; T282-H284 PolarHBondContact OG1-NE2 3.47Å; T282-T295 HydrophobicContact CG2-CG2 3.89Å; T282-L296 CarbonylContact C-O 3.54Å; T282-L296 WeakPolarHBondContact CA-O 3.19Å; T282-R297 HydrophobicContact CG2-CG 3.52Å; T282-R297 VanDerWaalsContact CG2-NE 3.31Å
283	C	97.8	Very high	94.7	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.4	167.8	174.5	0	0	0	0	109.2	M213 C227 T240 W241 T295 L296	M213-C283 HydrophobicContact CE-CB 3.43Å; M213-C283 VanDerWaalsContact CE-CB 3.43Å; C227-C283 HydrophobicContact CB-CB 3.49Å; C227-C283 VanDerWaalsContact CB-CB 3.49Å; C227-C283 WeakPolarHBondContact CB-SG 3.38Å; C227-C283 WeakPolarHBondContact SG-CB 3.47Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.18Å; T240-C283 CarbonylContact O-C 3.56Å; T240-C283 WeakPolarHBondContact O-CA 3.28Å; W241-C283 HydrophobicContact CD2-CB 4.22Å; W241-C283 HydrophobicContact CE3-CB 4.19Å; W241-C283 HydrophobicContact CH2-CB 4.18Å; W241-C283 HydrophobicContact CZ2-CB 4.17Å; W241-C283 HydrophobicContact CZ3-CB 4.17Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.3Å; C283-L296 HydrophobicContact CB-CB 4.26Å; C283-L296 PolarHBondContact N-O 3.21Å; C283-L296 PolarHBondContact O-N 2.94Å
284	H	97.4	Very high	94.7	Very high	32 Å²	32	54.8 Å²	54.8	15%	0.148	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.9	175.8	-63.2	-100	0	0	0	109.4	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.34Å; T240-H284 PolarHBondContact N-O 3.48Å; T240-H284 PolarHBondContact O-N 2.94Å; Q242-H284 PolarHBondContact OE1-NE2 3.07Å; T282-H284 PolarHBondContact OG1-NE2 3.47Å; H284-L294 WeakPolarHBondContact CA-O 3.43Å; H284-T295 PolarHBondContact CE1-OG1 2.88Å; H284-T295 PolarHBondContact ND1-OG1 3.42Å
285	V	97.7	Very high	94.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.7	-179.1	-174.4	0	0	0	0	108.8	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.95Å; T211-V285 HydrophobicContact CG2-CB 4.44Å; T211-V285 HydrophobicContact CG2-CG1 4.22Å; T211-V285 HydrophobicContact CG2-CG2 4.05Å; I237-V285 HydrophobicContact CD1-CG1 3.98Å; I237-V285 HydrophobicContact CG1-CG1 4.32Å; T238-V285 WeakPolarHBondContact O-CA 3.49Å; L239-V285 HydrophobicContact CD1-CG1 4.05Å; L239-V285 HydrophobicContact CG-CG2 4.31Å; V285-L290 HydrophobicContact CG1-CD1 4.18Å; V285-P293 WeakPolarHBondContact O-CA 3.43Å; V285-L294 HydrophobicContact CB-CB 4.31Å; V285-L294 PolarHBondContact N-O 3.37Å; V285-L294 PolarHBondContact O-N 3.41Å; V285-L296 HydrophobicContact CG2-CD1 3.83Å
286	Q	97.1	Very high	95	Very high	71 Å²	71	55.7 Å²	55.7	33%	0.332	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.4	174	-52.9	-178.7	17.8	0	0	108.9	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.39Å; T238-Q286 PolarHBondContact N-O 2.91Å; T238-Q286 PolarHBondContact O-N 3.39Å; Q286-P293 HydrophobicContact CG-CB 4.05Å; Q286-P293 HydrophobicContact CG-CG 4.13Å
287	H	95.5	Very high	95.2	Very high	16 Å²	16	59.8 Å²	59.8	7%	0.074	30%	0.299	C	S	.	.			trans	-156.4	146.9	-178.9	-174.3	-98.3	0	0	0	108.5	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 3.29Å; D207-H287 VanDerWaalsContact O-CE1 3.25Å; P209-H287 HydrophobicContact CG-CB 4.04Å; F232-H287 AromaticContact CD2-CD2 3.83Å; F232-H287 AromaticContact CD2-NE2 3.68Å; Y233-H287 PolarHBondContact O-CE1 3.07Å; P234-H287 PolarHBondContact O-NE2 3.44Å; E236-H287 PolarHBondContact O-CD2 3.49Å; I237-H287 HydrophobicContact CD1-CB 4.3Å; I237-H287 HydrophobicContact CG1-CB 4.07Å; H287-G289 VanDerWaalsContact C-N 3.25Å; H287-G289 PolarHBondContact ND1-N 2.6Å; H287-G289 PolarHBondContact O-N 3.24Å; H287-L290 HydrophobicContact CB-CD1 3.98Å; H287-L290 HydrophobicContact CB-CG 4.17Å; H287-L290 WeakPolarHBondContact O-CB 3.49Å; H287-L290 PolarHBondContact O-N 3.21Å
288	E	91.8	Very high	95	Very high	96 Å²	96	59.3 Å²	59.3	45%	0.449	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-33.3	-178.7	-174.8	178.2	-177.8	0	0	112.9	T206 L290	T206-E288 HydrophobicContact CG2-CG 4.1Å; E288-L290 PolarHBondContact O-N 3.1Å
289	G	92.3	Very high	94.6	Very high	18 Å²	18	66.1 Å²	66.1	19%	0.186	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-8	175.9	0	0	0	0	0	114.2	A208 H287	A208-G289 WeakPolarHBondContact CB-O 3.21Å; H287-G289 VanDerWaalsContact C-N 3.25Å; H287-G289 PolarHBondContact ND1-N 2.6Å; H287-G289 PolarHBondContact O-N 3.24Å
290	L	94.5	Very high	93.8	Very high	25 Å²	25	65.4 Å²	65.4	13%	0.131	33%	0.33	C	S	.	.			trans	-95.9	125.3	177	-66.3	170.5	0	0	0	110.9	A208 P209 V285 H287 E288 K292 L294	A208-L290 HydrophobicContact CB-CD2 3.99Å; P209-L290 HydrophobicContact CG-CD1 3.87Å; P209-L290 HydrophobicContact CG-CD2 4.41Å; P209-L290 HydrophobicContact CG-CG 4.17Å; V285-L290 HydrophobicContact CG1-CD1 4.18Å; H287-L290 HydrophobicContact CB-CD1 3.98Å; H287-L290 HydrophobicContact CB-CG 4.17Å; H287-L290 WeakPolarHBondContact O-CB 3.49Å; H287-L290 PolarHBondContact O-N 3.21Å; E288-L290 PolarHBondContact O-N 3.1Å; L290-K292 WeakPolarHBondContact CB-O 3.38Å; L290-K292 PolarHBondContact O-N 3.38Å; L290-L294 HydrophobicContact CD1-CD1 3.96Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.64Å; L290-L294 HydrophobicContact CD2-CD2 4.45Å; L290-L294 HydrophobicContact CD2-CG 3.87Å; L290-L294 HydrophobicContact CG-CD1 4.47Å; L290-L294 HydrophobicContact CG-CG 4.47Å
291	P	92.6	Very high	92.2	Very high	131 Å²	131	65.4 Å²	65.4	85%	0.851	35%	0.345	S	S	*	.	S	Bend	trans	-64.9	-24.5	177	27.1	-34.9	0	0	0	112.5
292	K	92.8	Very high	89.8	Confident	166 Å²	166	70.6 Å²	70.6	72%	0.722	38%	0.382	S	S	*	.	S	Bend	trans	-147.3	148.9	173.1	-63.4	-176.4	-177.1	176	0	109.2	L290 L294	L290-K292 WeakPolarHBondContact CB-O 3.38Å; L290-K292 PolarHBondContact O-N 3.38Å; K292-L294 PolarHBondContact O-N 2.84Å
293	P	95	Very high	87.2	Confident	82 Å²	82	77.7 Å²	77.7	53%	0.532	42%	0.415	S	S	.	.			trans	-51.2	137	172.2	-28.9	36.7	0	0	0	112.4	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.43Å; Q286-P293 HydrophobicContact CG-CB 4.05Å; Q286-P293 HydrophobicContact CG-CG 4.13Å
294	L	95.9	Very high	84.6	Confident	60 Å²	60	82.8 Å²	82.8	31%	0.314	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	144.3	174.3	-64.4	177	0	0	0	110.1	T211 H284 V285 L290 K292	T211-L294 HydrophobicContact CG2-CD1 4.19Å; H284-L294 WeakPolarHBondContact CA-O 3.43Å; V285-L294 HydrophobicContact CB-CB 4.31Å; V285-L294 PolarHBondContact N-O 3.37Å; V285-L294 PolarHBondContact O-N 3.41Å; L290-L294 HydrophobicContact CD1-CD1 3.96Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.64Å; L290-L294 HydrophobicContact CD2-CD2 4.45Å; L290-L294 HydrophobicContact CD2-CG 3.87Å; L290-L294 HydrophobicContact CG-CD1 4.47Å; L290-L294 HydrophobicContact CG-CG 4.47Å; K292-L294 PolarHBondContact O-N 2.84Å
295	T	96.8	Very high	82.3	Confident	81 Å²	81	87.7 Å²	87.7	50%	0.497	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	115.3	170.7	-57.9	0	0	0	0	108	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.89Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.3Å; H284-T295 PolarHBondContact CE1-OG1 2.88Å; H284-T295 PolarHBondContact ND1-OG1 3.42Å
296	L	95.5	Very high	80.2	Confident	34 Å²	34	92.7 Å²	92.7	18%	0.178	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	137.4	-176.1	-63.5	149.6	0	0	0	109	T211 M213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.04Å; M213-L296 HydrophobicContact CE-CB 3.81Å; M213-L296 WeakPolarHBondContact CE-O 3.47Å; M213-L296 HydrophobicContact CG-CB 4.47Å; M213-L296 HydrophobicContact SD-CB 4.38Å; T282-L296 CarbonylContact C-O 3.54Å; T282-L296 WeakPolarHBondContact CA-O 3.19Å; C283-L296 HydrophobicContact CB-CB 4.26Å; C283-L296 PolarHBondContact N-O 3.21Å; C283-L296 PolarHBondContact O-N 2.94Å; V285-L296 HydrophobicContact CG2-CD1 3.83Å
297	R	94.1	Very high	78.2	Confident	153 Å²	153	93.6 Å²	93.6	58%	0.577	52%	0.518	S	S	*	.			trans	-118.1	152.8	167	-72.7	-175.5	-179.4	158.5	1.1	108.7	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.52Å; T282-R297 VanDerWaalsContact CG2-NE 3.31Å; R297-E299 PolarHBondContact O-N 3.39Å
298	W	91.9	Very high	76.5	Confident	46 Å²	46	98.3 Å²	98.3	17%	0.174	54%	0.543	C	S	.	.			trans	-71.7	124.5	175.7	171.7	67.1	0	0	0	109	M213 H215 L225 E278 Q279 P300	M213-W298 WeakPolarHBondContact SD-CA 3.45Å; M213-W298 HydrophobicContact SD-CB 3.85Å; M213-W298 PolarHBondContact SD-N 2.9Å; H215-W298 HydrophobicContact CB-CZ2 4.11Å; H215-W298 VanDerWaalsContact CB-NE1 3.28Å; H215-W298 AromaticContact CD2-CE2 3.98Å; H215-W298 AromaticContact CD2-CZ2 3.89Å; H215-W298 AromaticContact CG-CE2 3.91Å; H215-W298 AromaticContact CG-CZ2 3.87Å; L225-W298 HydrophobicContact CD1-CB 4.38Å; L225-W298 HydrophobicContact CD2-CB 3.95Å; L225-W298 HydrophobicContact CD2-CD2 4.32Å; L225-W298 HydrophobicContact CD2-CG 3.87Å; E278-W298 HydrophobicContact CB-CD2 4.25Å; E278-W298 HydrophobicContact CB-CE3 3.37Å; E278-W298 HydrophobicContact CB-CZ3 3.79Å; E278-W298 HydrophobicContact CG-CD2 4.48Å; E278-W298 HydrophobicContact CG-CE3 3.73Å; E278-W298 HydrophobicContact CG-CZ3 3.77Å; Q279-W298 PolarHBondContact NE2-O 3.24Å; W298-P300 HydrophobicContact CE3-CG 4.43Å; W298-P300 HydrophobicContact CH2-CB 4.17Å; W298-P300 HydrophobicContact CH2-CG 3.81Å; W298-P300 HydrophobicContact CZ2-CB 4.12Å; W298-P300 HydrophobicContact CZ2-CG 4.14Å; W298-P300 HydrophobicContact CZ3-CG 3.96Å
299	E	84.3	Confident	75.1	Confident	162 Å²	162	99.4 Å²	99.4	76%	0.757	56%	0.556	S	S	*	*			trans	-107.1	125	170	-71.6	-177.8	175.1	0	0	108.3	R297 S301	R297-E299 PolarHBondContact O-N 3.39Å; E299-S301 PolarHBondContact O-N 3.47Å
300	P	77.8	Confident	73.9	Confident	80 Å²	80	100.7 Å²	100.7	52%	0.519	57%	0.569	S	S	.	*			trans	-56.6	128	171.4	-18	28.1	0	0	0	108.7	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.43Å; W298-P300 HydrophobicContact CH2-CB 4.17Å; W298-P300 HydrophobicContact CH2-CG 3.81Å; W298-P300 HydrophobicContact CZ2-CB 4.12Å; W298-P300 HydrophobicContact CZ2-CG 4.14Å; W298-P300 HydrophobicContact CZ3-CG 3.96Å; P300-S302 PolarHBondContact O-N 3.37Å
301	S	61.3	Low	72.9	Confident	102 Å²	102	103.9 Å²	103.9	71%	0.713	59%	0.585	S	S	*	*			trans	-59.9	113.6	179.6	60.8	0	0	0	0	109.4	E299 Q303	E299-S301 PolarHBondContact O-N 3.47Å; S301-Q303 PolarHBondContact O-N 2.83Å
302	S	45.5	Very low	72	Confident	115 Å²	115	102.3 Å²	102.3	80%	0.804	57%	0.568	S	S	*	*			trans	-77.5	58.6	167.3	61.5	0	0	0	0	108.9	P300 P304	P300-S302 PolarHBondContact O-N 3.37Å; S302-P304 WeakPolarHBondContact O-CD 3.39Å
303	Q	44.7	Very low	71.2	Confident	161 Å²	161	96.7 Å²	96.7	75%	0.752	55%	0.553	S	S	*	*			trans	-75.2	110.2	157.5	-82.6	-169.3	-19.5	0	0	105.5	S301 T305	S301-Q303 PolarHBondContact O-N 2.83Å; Q303-T305 PolarHBondContact O-N 3.07Å
304	P	41.8	Very low	70.5	Confident	108 Å²	108	94.6 Å²	94.6	70%	0.701	55%	0.546	S	S	*	.			trans	-58.7	117.2	167.2	24.6	-30.1	0	0	0	105.6	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.39Å; P304-I306 PolarHBondContact O-N 3.17Å
305	T	49.9	Very low	70	Confident	134 Å²	134	97.5 Å²	97.5	82%	0.822	56%	0.562	S	S	*	*			trans	-60.2	89.5	162.8	-35.4	0	0	0	0	104.7	Q303 P307	Q303-T305 PolarHBondContact O-N 3.07Å; T305-P307 VanDerWaalsContact O-CD 3.27Å; T305-P307 WeakPolarHBondContact O-CD 3.42Å
306	I	52.8	Low	69.3	Low	105 Å²	105	98.3 Å²	98.3	54%	0.538	57%	0.566	S	S	.	*			trans	-52.1	119	170.2	-63	175.6	0	0	0	103.3	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.17Å; I306-I308 PolarHBondContact O-N 2.99Å; I306-I311 HydrophobicContact CG2-CD1 3.57Å
307	P	55.1	Low	68.6	Low	90 Å²	90	102.5 Å²	102.5	58%	0.584	59%	0.588	S	S	*	*			trans	-73	83.2	-175.7	28.6	-31.8	0	0	0	106.6	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.27Å; T305-P307 WeakPolarHBondContact O-CD 3.42Å; P307-V309 PolarHBondContact O-N 2.89Å; P307-V309 VanDerWaalsContact O-N 3.1Å; P307-G310 WeakPolarHBondContact O-CA 3.39Å; P307-G310 PolarHBondContact O-N 3.12Å; P307-I311 PolarHBondContact O-N 3Å
308	I	60.2	Low	68	Low	116 Å²	116	101.5 Å²	101.5	60%	0.595	59%	0.588	S	S	*	*	H	α-helix	trans	-53.4	-33.9	179.4	-69.7	164	0	0	0	109	I306 G310 I311 I312	I306-I308 PolarHBondContact O-N 2.99Å; I308-G310 PolarHBondContact O-N 3.46Å; I308-I311 PolarHBondContact O-N 3.41Å; I308-I312 HydrophobicContact CG2-CD1 3.68Å; I308-I312 HydrophobicContact CG2-CG1 4.36Å; I308-I312 WeakPolarHBondContact O-CB 3.33Å; I308-I312 VanDerWaalsContact O-CG1 3.23Å; I308-I312 WeakPolarHBondContact O-CG1 3.32Å; I308-I312 PolarHBondContact O-N 2.95Å
309	V	63.2	Low	67.4	Low	119 Å²	119	101.3 Å²	101.3	72%	0.721	60%	0.6	S	S	*	*	H	α-helix	trans	-62	-41.3	174	-175.9	0	0	0	0	112.7	P307 A313	P307-V309 PolarHBondContact O-N 2.89Å; P307-V309 VanDerWaalsContact O-N 3.1Å; V309-A313 WeakPolarHBondContact O-CB 3.48Å; V309-A313 PolarHBondContact O-N 3.1Å
310	G	66.6	Low	67.2	Low	45 Å²	45	96.6 Å²	96.6	46%	0.464	59%	0.589	S	S	.	*	H	α-helix	trans	-69.2	-37.1	178.8	0	0	0	0	0	112.9	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.39Å; P307-G310 PolarHBondContact O-N 3.12Å; I308-G310 PolarHBondContact O-N 3.46Å; G310-G314 PolarHBondContact O-N 2.71Å
311	I	72.8	Confident	67.3	Low	92 Å²	92	98.9 Å²	98.9	47%	0.472	59%	0.594	S	S	.	*	H	α-helix	trans	-69.1	-43.7	176.2	-61.7	175.5	0	0	0	110.6	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.57Å; P307-I311 PolarHBondContact O-N 3Å; I308-I311 PolarHBondContact O-N 3.41Å; I311-G314 PolarHBondContact O-N 2.98Å; I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 2.94Å
312	I	74.1	Confident	68.1	Low	97 Å²	97	100.7 Å²	100.7	50%	0.497	59%	0.59	S	S	.	*	H	α-helix	trans	-63.4	-46.6	177.1	-67.9	168.4	0	0	0	110.6	I308 G314 L315 V316	I308-I312 HydrophobicContact CG2-CD1 3.68Å; I308-I312 HydrophobicContact CG2-CG1 4.36Å; I308-I312 WeakPolarHBondContact O-CB 3.33Å; I308-I312 VanDerWaalsContact O-CG1 3.23Å; I308-I312 WeakPolarHBondContact O-CG1 3.32Å; I308-I312 PolarHBondContact O-N 2.95Å; I312-G314 VanDerWaalsContact C-N 3.32Å; I312-G314 PolarHBondContact O-N 3.46Å; I312-L315 PolarHBondContact O-N 3.11Å; I312-V316 HydrophobicContact CG2-CG2 4.4Å; I312-V316 VanDerWaalsContact O-CG2 3.3Å; I312-V316 WeakPolarHBondContact O-CG2 3.37Å; I312-V316 PolarHBondContact O-N 3.36Å
313	A	75.9	Confident	69.5	Low	49 Å²	49	97.9 Å²	97.9	41%	0.405	57%	0.573	S	S	.	*	H	α-helix	trans	-60.4	-42.1	177.1	0	0	0	0	0	111.9	V309 V316 L317	V309-A313 WeakPolarHBondContact O-CB 3.48Å; V309-A313 PolarHBondContact O-N 3.1Å; A313-V316 PolarHBondContact O-N 3.3Å; A313-L317 WeakPolarHBondContact O-CB 3.36Å; A313-L317 WeakPolarHBondContact O-CG 3.44Å; A313-L317 PolarHBondContact O-N 3.17Å
314	G	80.5	Confident	71	Confident	37 Å²	37	92.1 Å²	92.1	38%	0.381	56%	0.557	S	S	.	*	H	α-helix	trans	-61.2	-46.3	175.6	0	0	0	0	0	113	G310 I311 I312 L317 F318	G310-G314 PolarHBondContact O-N 2.71Å; I311-G314 PolarHBondContact O-N 2.98Å; I312-G314 VanDerWaalsContact C-N 3.32Å; I312-G314 PolarHBondContact O-N 3.46Å; G314-L317 PolarHBondContact O-N 2.66Å; G314-F318 WeakPolarHBondContact O-CB 3.49Å; G314-F318 PolarHBondContact O-N 2.83Å
315	L	84.8	Confident	72.7	Confident	122 Å²	122	89.9 Å²	89.9	64%	0.639	55%	0.547	S	S	*	.	H	α-helix	trans	-65.5	-39.7	178.9	-74.9	169.7	0	0	0	112.7	I311 I312 F318 G319	I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 2.94Å; I312-L315 PolarHBondContact O-N 3.11Å; L315-F318 PolarHBondContact O-N 2.87Å; L315-G319 PolarHBondContact O-N 3.29Å
316	V	82.6	Confident	74	Confident	97 Å²	97	87.2 Å²	87.2	59%	0.588	53%	0.531	S	S	*	.	H	α-helix	trans	-64.5	-45.3	176.8	171.3	0	0	0	0	110.9	I312 A313 G319 A320	I312-V316 HydrophobicContact CG2-CG2 4.4Å; I312-V316 VanDerWaalsContact O-CG2 3.3Å; I312-V316 WeakPolarHBondContact O-CG2 3.37Å; I312-V316 PolarHBondContact O-N 3.36Å; A313-V316 PolarHBondContact O-N 3.3Å; V316-G319 PolarHBondContact O-N 3.41Å; V316-A320 WeakPolarHBondContact O-CB 3.33Å; V316-A320 PolarHBondContact O-N 2.9Å
317	L	81.6	Confident	75.1	Confident	122 Å²	122	86.6 Å²	86.6	64%	0.639	53%	0.532	S	S	*	.	H	α-helix	trans	-63.2	-42.6	176.9	-74.2	170	0	0	0	111.7	A313 G314 A320 M321	A313-L317 WeakPolarHBondContact O-CB 3.36Å; A313-L317 WeakPolarHBondContact O-CG 3.44Å; A313-L317 PolarHBondContact O-N 3.17Å; G314-L317 PolarHBondContact O-N 2.66Å; L317-A320 PolarHBondContact O-N 3.41Å; L317-M321 PolarHBondContact O-N 2.88Å
318	F	80.2	Confident	76	Confident	133 Å²	133	85.2 Å²	85.2	58%	0.583	53%	0.528	S	S	*	.	H	α-helix	trans	-64.8	-43.1	178.6	-149	-91.2	0	0	0	111.7	G314 L315 M321 F322	G314-F318 WeakPolarHBondContact O-CB 3.49Å; G314-F318 PolarHBondContact O-N 2.83Å; L315-F318 PolarHBondContact O-N 2.87Å; F318-M321 HydrophobicContact CD2-CE 4.47Å; F318-M321 PolarHBondContact O-N 3.19Å; F318-F322 HydrophobicContact CE1-CD2 4.27Å; F318-F322 PolarHBondContact O-N 3.23Å
319	G	80.4	Confident	76.6	Confident	41 Å²	41	82.2 Å²	82.2	42%	0.423	52%	0.52	S	S	.	.	H	α-helix	trans	-61.9	-43.1	175.4	0	0	0	0	0	113	L315 V316 M321 F322 A323	L315-G319 PolarHBondContact O-N 3.29Å; V316-G319 PolarHBondContact O-N 3.41Å; G319-M321 PolarHBondContact O-N 3.13Å; G319-F322 PolarHBondContact O-N 2.88Å; G319-A323 WeakPolarHBondContact O-CB 3.48Å; G319-A323 PolarHBondContact O-N 3.43Å
320	A	79.6	Confident	77	Confident	63 Å²	63	80.4 Å²	80.4	52%	0.521	51%	0.509	S	S	.	.	H	α-helix	trans	-64.1	-40	176.9	0	0	0	0	0	112.3	V316 L317 G324	V316-A320 WeakPolarHBondContact O-CB 3.33Å; V316-A320 PolarHBondContact O-N 2.9Å; L317-A320 PolarHBondContact O-N 3.41Å; A320-G324 PolarHBondContact O-N 3.44Å
321	M	79.3	Confident	77.2	Confident	129 Å²	129	87 Å²	87	64%	0.635	52%	0.52	S	S	*	.	H	α-helix	trans	-63.5	-44.3	176.4	-132.4	-172.8	-42	0	0	111.5	L317 F318 G319 G324 A325	L317-M321 PolarHBondContact O-N 2.88Å; F318-M321 HydrophobicContact CD2-CE 4.47Å; F318-M321 PolarHBondContact O-N 3.19Å; G319-M321 PolarHBondContact O-N 3.13Å; M321-G324 PolarHBondContact O-N 2.84Å; M321-A325 WeakPolarHBondContact O-CB 3.2Å; M321-A325 PolarHBondContact O-N 3.14Å
322	F	78.1	Confident	77.1	Confident	140 Å²	140	92.1 Å²	92.1	61%	0.614	53%	0.534	S	S	*	.	H	α-helix	trans	-65.7	-44.4	179.4	-135.1	-88.7	0	0	0	111.5	F318 G319 G324 A325 V326	F318-F322 HydrophobicContact CE1-CD2 4.27Å; F318-F322 PolarHBondContact O-N 3.23Å; G319-F322 PolarHBondContact O-N 2.88Å; F322-G324 VanDerWaalsContact C-N 3.34Å; F322-G324 PolarHBondContact O-N 2.64Å; F322-A325 PolarHBondContact O-N 3.45Å; F322-V326 HydrophobicContact CD1-CG2 4.33Å; F322-V326 VanDerWaalsContact O-CG2 3.31Å; F322-V326 WeakPolarHBondContact O-CG2 2.9Å; F322-V326 PolarHBondContact O-N 3.09Å
323	A	75.8	Confident	76.7	Confident	55 Å²	55	97 Å²	97	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-61	-43.4	174.8	0	0	0	0	0	111.7	G319 V326 V327	G319-A323 WeakPolarHBondContact O-CB 3.48Å; G319-A323 PolarHBondContact O-N 3.43Å; A323-V326 PolarHBondContact O-N 2.72Å; A323-V327 VanDerWaalsContact O-CG2 3.3Å; A323-V327 WeakPolarHBondContact O-CG2 3.4Å; A323-V327 PolarHBondContact O-N 2.91Å
324	G	75.9	Confident	76	Confident	41 Å²	41	104.7 Å²	104.7	42%	0.423	57%	0.565	S	S	.	*	H	α-helix	trans	-60.2	-45	175.3	0	0	0	0	0	113	A320 M321 F322 V327 A328	A320-G324 PolarHBondContact O-N 3.44Å; M321-G324 PolarHBondContact O-N 2.84Å; F322-G324 VanDerWaalsContact C-N 3.34Å; F322-G324 PolarHBondContact O-N 2.64Å; G324-V327 PolarHBondContact O-N 3.24Å; G324-A328 WeakPolarHBondContact O-CB 3.17Å; G324-A328 PolarHBondContact O-N 3.18Å
325	A	76.8	Confident	74.9	Confident	60 Å²	60	111.6 Å²	111.6	50%	0.496	58%	0.584	S	S	.	*	H	α-helix	trans	-63.8	-42	177.7	0	0	0	0	0	112.4	M321 F322 A328 A329	M321-A325 WeakPolarHBondContact O-CB 3.2Å; M321-A325 PolarHBondContact O-N 3.14Å; F322-A325 PolarHBondContact O-N 3.45Å; A325-A328 PolarHBondContact O-N 3.22Å; A325-A329 WeakPolarHBondContact O-CB 3.05Å; A325-A329 PolarHBondContact O-N 2.93Å
326	V	77.8	Confident	73.5	Confident	78 Å²	78	109.9 Å²	109.9	47%	0.473	58%	0.582	S	S	.	*	H	α-helix	trans	-63.8	-45.5	176.3	171.8	0	0	0	0	111	F322 A323 A328 A329 V330	F322-V326 HydrophobicContact CD1-CG2 4.33Å; F322-V326 VanDerWaalsContact O-CG2 3.31Å; F322-V326 WeakPolarHBondContact O-CG2 2.9Å; F322-V326 PolarHBondContact O-N 3.09Å; A323-V326 PolarHBondContact O-N 2.72Å; V326-A328 VanDerWaalsContact C-N 3.34Å; V326-A328 PolarHBondContact O-N 3.06Å; V326-A329 PolarHBondContact O-N 3.24Å; V326-V330 HydrophobicContact CG1-CG2 4.37Å; V326-V330 WeakPolarHBondContact O-CB 3.13Å; V326-V330 VanDerWaalsContact O-CG2 3.29Å; V326-V330 WeakPolarHBondContact O-CG2 3.3Å; V326-V330 PolarHBondContact O-N 3.24Å
327	V	76.7	Confident	71.9	Confident	92 Å²	92	112.7 Å²	112.7	56%	0.558	61%	0.606	S	S	*	*	H	α-helix	trans	-62	-42.6	177.2	171.4	0	0	0	0	111	A323 G324 V330 R331	A323-V327 VanDerWaalsContact O-CG2 3.3Å; A323-V327 WeakPolarHBondContact O-CG2 3.4Å; A323-V327 PolarHBondContact O-N 2.91Å; G324-V327 PolarHBondContact O-N 3.24Å; V327-V330 PolarHBondContact O-N 3.08Å; V327-R331 VanDerWaalsContact O-CB 3.28Å; V327-R331 WeakPolarHBondContact O-CB 3.35Å; V327-R331 PolarHBondContact O-N 2.76Å
328	A	73.4	Confident	71.4	Confident	61 Å²	61	112.2 Å²	112.2	50%	0.504	61%	0.605	S	S	.	*	H	α-helix	trans	-62.6	-44.7	176.2	0	0	0	0	0	112	G324 A325 V326 R331 W332	G324-A328 WeakPolarHBondContact O-CB 3.17Å; G324-A328 PolarHBondContact O-N 3.18Å; A325-A328 PolarHBondContact O-N 3.22Å; V326-A328 VanDerWaalsContact C-N 3.34Å; V326-A328 PolarHBondContact O-N 3.06Å; A328-R331 PolarHBondContact O-N 2.77Å; A328-W332 WeakPolarHBondContact O-CB 2.91Å; A328-W332 PolarHBondContact O-N 3.09Å
329	A	72.8	Confident	71	Confident	53 Å²	53	111.1 Å²	111.1	44%	0.438	61%	0.606	S	S	.	*	H	α-helix	trans	-64.4	-42.1	178.2	0	0	0	0	0	112.6	A325 V326 W332 R333	A325-A329 WeakPolarHBondContact O-CB 3.05Å; A325-A329 PolarHBondContact O-N 2.93Å; V326-A329 PolarHBondContact O-N 3.24Å; A329-W332 PolarHBondContact O-N 2.81Å; A329-R333 PolarHBondContact O-N 3.23Å
330	V	71.9	Confident	70.4	Confident	81 Å²	81	115 Å²	115	49%	0.491	62%	0.616	S	S	.	*	H	α-helix	trans	-64.4	-41.8	175.7	170.5	0	0	0	0	110.9	V326 V327 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.37Å; V326-V330 WeakPolarHBondContact O-CB 3.13Å; V326-V330 VanDerWaalsContact O-CG2 3.29Å; V326-V330 WeakPolarHBondContact O-CG2 3.3Å; V326-V330 PolarHBondContact O-N 3.24Å; V327-V330 PolarHBondContact O-N 3.08Å; V330-R333 PolarHBondContact O-N 3.28Å; V330-R334 PolarHBondContact O-N 2.77Å
331	R	70.3	Confident	69.9	Low	184 Å²	184	118.1 Å²	118.1	69%	0.694	62%	0.621	S	S	*	*	H	α-helix	trans	-69.6	-33.6	179.5	-156.8	174.1	-177.5	155.5	0.4	112.2	V327 A328 K335	V327-R331 VanDerWaalsContact O-CB 3.28Å; V327-R331 WeakPolarHBondContact O-CB 3.35Å; V327-R331 PolarHBondContact O-N 2.76Å; A328-R331 PolarHBondContact O-N 2.77Å; R331-K335 PolarHBondContact O-N 3.28Å
332	W	70.1	Confident	69.3	Low	199 Å²	199	117.4 Å²	117.4	75%	0.754	62%	0.621	S	S	*	*	H	α-helix	trans	-66.9	-47.3	171.9	-174.3	52.1	0	0	0	111.3	A328 A329 R334 K335 S336	A328-W332 WeakPolarHBondContact O-CB 2.91Å; A328-W332 PolarHBondContact O-N 3.09Å; A329-W332 PolarHBondContact O-N 2.81Å; W332-R334 VanDerWaalsContact C-N 3.28Å; W332-R334 PolarHBondContact O-N 2.74Å; W332-K335 PolarHBondContact O-N 3.24Å; W332-S336 PolarHBondContact O-N 2.9Å; W332-S336 VanDerWaalsContact O-N 3.14Å; W332-S336 PolarHBondContact O-OG 3.31Å
333	R	65.6	Low	68.7	Low	199 Å²	199	115.9 Å²	115.9	75%	0.751	62%	0.621	S	S	*	*	H	α-helix	trans	-58	-36.6	174.3	-89	-169.9	179.2	-178.7	1.1	113.7	A329 V330 K335 S336	A329-R333 PolarHBondContact O-N 3.23Å; V330-R333 PolarHBondContact O-N 3.28Å; R333-K335 VanDerWaalsContact C-N 3.31Å; R333-S336 WeakPolarHBondContact CA-OG 3.41Å; R333-S336 PolarHBondContact O-OG 3.34Å
334	R	62.4	Low	68.2	Low	211 Å²	211	120.2 Å²	120.2	80%	0.796	63%	0.633	S	S	*	*	H	α-helix	trans	-72.5	-18.8	176.1	-101.3	-172.9	177.7	179	0.4	114.4	V330 W332	V330-R334 PolarHBondContact O-N 2.77Å; W332-R334 VanDerWaalsContact C-N 3.28Å; W332-R334 PolarHBondContact O-N 2.74Å
335	K	57.4	Low	67.6	Low	182 Å²	182	126.3 Å²	126.3	79%	0.791	65%	0.649	S	S	*	*	H	α-helix	trans	-93.5	-18	176.2	-96.7	-173.1	172.4	-172	0	113	R331 W332 R333	R331-K335 PolarHBondContact O-N 3.28Å; W332-K335 PolarHBondContact O-N 3.24Å; R333-K335 VanDerWaalsContact C-N 3.31Å
336	S	54	Low	66.9	Low	86 Å²	86	131.8 Å²	131.8	60%	0.601	66%	0.662	S	S	*	*			trans	-99.6	7.8	-179.7	59.9	0	0	0	0	113.7	W332 R333	W332-S336 PolarHBondContact O-N 2.9Å; W332-S336 VanDerWaalsContact O-N 3.14Å; W332-S336 PolarHBondContact O-OG 3.31Å; R333-S336 WeakPolarHBondContact CA-OG 3.41Å; R333-S336 PolarHBondContact O-OG 3.34Å
337	S	50	Low	65.9	Low	156 Å²	156	136.7 Å²	136.7	100%	1.091	68%	0.679	S	S	*	*			trans	-121.7	0	169	-174	0	0	0	0	108.3

Retrieved 337 of 337 residues in 142.2 ms (Link to these results)

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