A0A087X975_POEFO Loading...

carnitine O-palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A087X975, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 783 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	31.5	Very low	33.8	Very low	184 Å²	184	100 Å²	100	91%	0.906	55%	0.546	S	S	*	.				0	65.7	0	-69.4	-156.9	-85.7	0	0	112.2	R405	M1-R405 WeakPolarHBondContact O-CD 3.4Å; M1-R405 PolarHBondContact O-NH1 2.79Å; M1-R405 VanDerWaalsContact O-NH1 3.08Å
2	A	24.4	Very low	34.7	Very low	91 Å²	91	104.1 Å²	104.1	75%	0.752	56%	0.555	S	S	*	*			trans	-83	-1.5	169	0	0	0	0	0	112.4
3	E	25.8	Very low	35.6	Very low	156 Å²	156	101.8 Å²	101.8	73%	0.729	55%	0.547	S	S	*	.	S	Bend	trans	-87.4	-19.1	-179.8	-70	166.8	160.3	0	0	113.2	H5 Q6 A7	E3-H5 VanDerWaalsContact C-N 3.28Å; E3-H5 PolarHBondContact O-N 3.04Å; E3-H5 VanDerWaalsContact O-N 3.17Å; E3-Q6 PolarHBondContact O-N 3.21Å; E3-A7 PolarHBondContact O-N 3.16Å
4	A	27.5	Very low	36.2	Very low	50 Å²	50	103 Å²	103	41%	0.413	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.1	-14.6	-171.2	0	0	0	0	0	115.2	A7	A4-A7 WeakPolarHBondContact O-CB 3.49Å
5	H	37.2	Very low	37.5	Very low	126 Å²	126	100.3 Å²	100.3	58%	0.583	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-14	174.7	-79.3	-81.5	0	0	0	114.1	E3	E3-H5 VanDerWaalsContact C-N 3.28Å; E3-H5 PolarHBondContact O-N 3.04Å; E3-H5 VanDerWaalsContact O-N 3.17Å
6	Q	31.2	Very low	38.2	Very low	138 Å²	138	102.4 Å²	102.4	65%	0.645	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-69.7	-23.6	159.2	-79.7	-175.3	-24.6	0	0	110.6	E3 V8 A9 F10	E3-Q6 PolarHBondContact O-N 3.21Å; Q6-V8 PolarHBondContact O-N 3.05Å; Q6-A9 WeakPolarHBondContact O-CB 3.3Å; Q6-A9 PolarHBondContact O-N 2.83Å; Q6-A9 VanDerWaalsContact O-N 3.1Å; Q6-F10 PolarHBondContact O-N 3.24Å
7	A	29.7	Very low	39	Very low	38 Å²	38	105.8 Å²	105.8	31%	0.314	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-71.9	-1.3	178.2	0	0	0	0	0	115.8	E3 A4 F10	E3-A7 PolarHBondContact O-N 3.16Å; A4-A7 WeakPolarHBondContact O-CB 3.49Å; A7-F10 CarbonylContact O-C 3.45Å; A7-F10 VanDerWaalsContact O-O 3.07Å
8	V	41.1	Very low	39.8	Very low	111 Å²	111	101.9 Å²	101.9	67%	0.673	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-86.9	-19.1	168.5	-164.7	0	0	0	0	111.2	Q6	Q6-V8 PolarHBondContact O-N 3.05Å
9	A	38.6	Very low	40.3	Very low	14 Å²	14	103.1 Å²	103.1	12%	0.116	58%	0.576	C	S	.	*	T	Hydrogen-bonded Turn	trans	-88.5	-21.6	172.6	0	0	0	0	0	113	Q6 S24 A27	Q6-A9 WeakPolarHBondContact O-CB 3.3Å; Q6-A9 PolarHBondContact O-N 2.83Å; Q6-A9 VanDerWaalsContact O-N 3.1Å; A9-S24 PolarHBondContact O-N 3.38Å; A9-A27 HydrophobicContact CB-CB 3.4Å
10	F	41.4	Very low	40.4	Very low	82 Å²	82	101.8 Å²	101.8	36%	0.36	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.4	87	178.6	-62.1	-94.9	0	0	0	108	Q6 A7 F12 L23 L28 I31	Q6-F10 PolarHBondContact O-N 3.24Å; A7-F10 CarbonylContact O-C 3.45Å; A7-F10 VanDerWaalsContact O-O 3.07Å; F10-F12 PolarHBondContact O-N 2.98Å; F10-L23 HydrophobicContact CD1-CD2 3.37Å; F10-L23 HydrophobicContact CE1-CD2 3.19Å; F10-L23 HydrophobicContact CG-CD2 4.3Å; F10-L23 HydrophobicContact CZ-CD2 3.98Å; F10-L28 HydrophobicContact CZ-CD2 4.26Å; F10-I31 HydrophobicContact CE2-CD1 4.45Å
11	Q	44	Very low	40.8	Very low	110 Å²	110	101.7 Å²	101.7	51%	0.514	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.2	114.3	162.2	-87.3	179.3	-24.9	0	0	107	R22	Q11-R22 HydrophobicContact CB-CB 4.29Å; Q11-R22 PolarHBondContact O-N 2.92Å
12	F	44.4	Very low	41.6	Very low	149 Å²	149	100.9 Å²	100.9	65%	0.654	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.5	114.6	166	64.5	-85.7	0	0	0	107.4	F10	F10-F12 PolarHBondContact O-N 2.98Å
13	T	45.6	Very low	42.9	Very low	74 Å²	74	100.5 Å²	100.5	45%	0.454	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	115.4	170.8	8.3	0	0	0	0	107	T15 D20	T13-T15 PolarHBondContact O-N 2.69Å; T13-D20 PolarHBondContact N-O 3.28Å; T13-D20 PolarHBondContact O-N 3.19Å
14	V	43.8	Very low	44.5	Very low	119 Å²	119	95.4 Å²	95.4	72%	0.721	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	106.1	172.7	-177	0	0	0	0	106.6
15	T	57	Low	46.3	Very low	62 Å²	62	100.8 Å²	100.8	38%	0.38	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	163.2	172	63.2	0	0	0	0	109.3	T13 D17 G18	T13-T15 PolarHBondContact O-N 2.69Å; T15-D17 PolarHBondContact O-N 2.8Å; T15-G18 PolarHBondContact N-O 2.84Å; T15-G18 PolarHBondContact O-N 2.79Å; T15-G18 VanDerWaalsContact O-N 3.16Å; T15-G18 PolarHBondContact OG1-O 3.41Å
16	P	48.3	Very low	47.4	Very low	135 Å²	135	102.3 Å²	102.3	88%	0.877	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-20.2	175.4	-24.3	34.4	0	0	0	114
17	D	51.3	Low	48.7	Very low	159 Å²	159	96.9 Å²	96.9	85%	0.85	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-1.7	-176.9	-58	-45.1	0	0	0	114.1	T15	T15-D17 PolarHBondContact O-N 2.8Å
18	G	53.5	Low	50.7	Low	37 Å²	37	98.4 Å²	98.4	38%	0.381	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	143.2	-167.6	177	0	0	0	0	0	115.6	T15	T15-G18 PolarHBondContact N-O 2.84Å; T15-G18 PolarHBondContact O-N 2.79Å; T15-G18 VanDerWaalsContact O-N 3.16Å; T15-G18 PolarHBondContact OG1-O 3.41Å
19	I	50.4	Low	52.2	Low	123 Å²	123	96 Å²	96	63%	0.631	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	112.7	177.4	-57.8	172.9	0	0	0	108.5	L21	I19-L21 HydrophobicContact CG2-CD1 4.4Å; I19-L21 HydrophobicContact CG2-CG 4.17Å
20	D	41.4	Very low	53.6	Low	77 Å²	77	98.7 Å²	98.7	41%	0.412	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	119.7	171.5	-169.4	16.3	0	0	0	109.9	T13	T13-D20 PolarHBondContact N-O 3.28Å; T13-D20 PolarHBondContact O-N 3.19Å
21	L	48.4	Very low	55.1	Low	101 Å²	101	99.2 Å²	99.2	53%	0.529	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	100	-176.6	-88.7	158.6	0	0	0	109.8	I19 L23	I19-L21 HydrophobicContact CG2-CD1 4.4Å; I19-L21 HydrophobicContact CG2-CG 4.17Å; L21-L23 PolarHBondContact O-N 3.36Å
22	R	48.7	Very low	56.8	Low	166 Å²	166	101.5 Å²	101.5	63%	0.626	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	98.8	169.7	-74.7	-173.9	177.9	-171	-1.5	110.5	Q11	Q11-R22 HydrophobicContact CB-CB 4.29Å; Q11-R22 PolarHBondContact O-N 2.92Å
23	L	52	Low	58.2	Low	84 Å²	84	97 Å²	97	44%	0.44	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	114.1	174.9	-73.7	161.7	0	0	0	110.5	F10 L21 H25 L28	F10-L23 HydrophobicContact CD1-CD2 3.37Å; F10-L23 HydrophobicContact CE1-CD2 3.19Å; F10-L23 HydrophobicContact CG-CD2 4.3Å; F10-L23 HydrophobicContact CZ-CD2 3.98Å; L21-L23 PolarHBondContact O-N 3.36Å; L23-H25 PolarHBondContact O-N 2.73Å; L23-L28 HydrophobicContact CB-CD1 4.16Å; L23-L28 HydrophobicContact CD2-CD1 4.22Å; L23-L28 HydrophobicContact CD2-CD2 4.41Å
24	S	58.9	Low	59.4	Low	48 Å²	48	96.5 Å²	96.5	34%	0.336	52%	0.515	S	S	.	.			trans	-73.4	114.3	171.5	172.7	0	0	0	0	110.3	A9 Q26 A27 L28	A9-S24 PolarHBondContact O-N 3.38Å; S24-Q26 PolarHBondContact O-N 3.49Å; S24-A27 PolarHBondContact O-N 3.46Å; S24-A27 PolarHBondContact OG-N 2.77Å; S24-L28 PolarHBondContact O-N 3.09Å
25	H	65.1	Low	60.9	Low	163 Å²	163	92.2 Å²	92.2	76%	0.755	50%	0.495	S	S	*	.	H	α-helix	trans	-53.6	-36.9	175.1	-94.7	-74.4	0	0	0	112.9	L23 S29	L23-H25 PolarHBondContact O-N 2.73Å; H25-S29 WeakPolarHBondContact O-CB 2.95Å; H25-S29 PolarHBondContact O-N 3.38Å
26	Q	60.1	Low	62	Low	159 Å²	159	91.2 Å²	91.2	74%	0.743	49%	0.489	S	S	*	.	H	α-helix	trans	-65.3	-41.9	176.5	-77.6	-179.7	-17.9	0	0	111.9	S24 S29 E30	S24-Q26 PolarHBondContact O-N 3.49Å; Q26-S29 WeakPolarHBondContact O-CB 3.24Å; Q26-S29 PolarHBondContact O-N 3.02Å; Q26-E30 PolarHBondContact O-N 2.97Å
27	A	59.3	Low	63.3	Low	24 Å²	24	87 Å²	87	20%	0.198	46%	0.456	C	S	.	.	H	α-helix	trans	-67.5	-41	178.8	0	0	0	0	0	112.2	A9 S24 S29 E30 I31	A9-A27 HydrophobicContact CB-CB 3.4Å; S24-A27 PolarHBondContact O-N 3.46Å; S24-A27 PolarHBondContact OG-N 2.77Å; A27-S29 VanDerWaalsContact C-N 3.33Å; A27-E30 PolarHBondContact O-N 3.38Å; A27-I31 VanDerWaalsContact O-CG1 3.28Å; A27-I31 WeakPolarHBondContact O-CG1 3.19Å; A27-I31 PolarHBondContact O-N 2.79Å
28	L	71.2	Confident	64.6	Low	69 Å²	69	82.5 Å²	82.5	36%	0.361	44%	0.436	S	S	.	.	H	α-helix	trans	-62.4	-40.6	173.4	-72.8	174	0	0	0	112	F10 L23 S24 I31 Y32	F10-L28 HydrophobicContact CZ-CD2 4.26Å; L23-L28 HydrophobicContact CB-CD1 4.16Å; L23-L28 HydrophobicContact CD2-CD1 4.22Å; L23-L28 HydrophobicContact CD2-CD2 4.41Å; S24-L28 PolarHBondContact O-N 3.09Å; L28-I31 PolarHBondContact O-N 2.81Å; L28-Y32 WeakPolarHBondContact O-CB 3.47Å; L28-Y32 PolarHBondContact O-N 3.31Å
29	S	72.2	Confident	66	Low	60 Å²	60	89.1 Å²	89.1	42%	0.42	45%	0.45	S	S	.	.	H	α-helix	trans	-61.9	-44.3	175.1	-173.3	0	0	0	0	111.9	H25 Q26 A27 Y32 L33	H25-S29 WeakPolarHBondContact O-CB 2.95Å; H25-S29 PolarHBondContact O-N 3.38Å; Q26-S29 WeakPolarHBondContact O-CB 3.24Å; Q26-S29 PolarHBondContact O-N 3.02Å; A27-S29 VanDerWaalsContact C-N 3.33Å; S29-Y32 PolarHBondContact O-N 3.06Å; S29-L33 WeakPolarHBondContact O-CB 3.21Å; S29-L33 VanDerWaalsContact O-CG 3.29Å; S29-L33 WeakPolarHBondContact O-CG 3.37Å; S29-L33 PolarHBondContact O-N 3.12Å
30	E	68.4	Low	67.5	Low	72 Å²	72	89.7 Å²	89.7	34%	0.336	45%	0.448	S	S	.	.	H	α-helix	trans	-65.4	-39.7	176.2	-76.4	-66.1	163.5	0	0	112.6	Q26 A27 L33 S34 A349	Q26-E30 PolarHBondContact O-N 2.97Å; A27-E30 PolarHBondContact O-N 3.38Å; E30-L33 PolarHBondContact O-N 3.1Å; E30-S34 WeakPolarHBondContact O-CB 3.38Å; E30-S34 PolarHBondContact O-N 3.26Å; E30-A349 WeakPolarHBondContact OE1-CA 3.37Å; E30-A349 PolarHBondContact OE1-N 3.48Å
31	I	73.4	Confident	69.3	Low	92 Å²	92	88.2 Å²	88.2	47%	0.472	44%	0.438	S	S	.	.	H	α-helix	trans	-61.4	-46.3	173.5	-69.5	166.3	0	0	0	110.1	F10 A27 L28 S34 G35	F10-I31 HydrophobicContact CE2-CD1 4.45Å; A27-I31 VanDerWaalsContact O-CG1 3.28Å; A27-I31 WeakPolarHBondContact O-CG1 3.19Å; A27-I31 PolarHBondContact O-N 2.79Å; L28-I31 PolarHBondContact O-N 2.81Å; I31-S34 PolarHBondContact O-N 2.94Å; I31-G35 PolarHBondContact O-N 2.88Å
32	Y	78.9	Confident	71	Confident	159 Å²	159	91.4 Å²	91.4	62%	0.624	44%	0.443	S	S	*	.	H	α-helix	trans	-60.3	-50.2	176.6	173.2	-99	0	0	0	111.7	L28 S29 S34 G35 V36	L28-Y32 WeakPolarHBondContact O-CB 3.47Å; L28-Y32 PolarHBondContact O-N 3.31Å; S29-Y32 PolarHBondContact O-N 3.06Å; Y32-S34 VanDerWaalsContact C-N 3.33Å; Y32-S34 PolarHBondContact O-N 3.39Å; Y32-G35 CarbonylContact O-C 3.57Å; Y32-G35 WeakPolarHBondContact O-CA 3.3Å; Y32-G35 PolarHBondContact O-N 3.48Å; Y32-G35 VanDerWaalsContact O-N 3.12Å; Y32-V36 HydrophobicContact CD1-CG2 4.2Å; Y32-V36 HydrophobicContact CD2-CG2 4.36Å; Y32-V36 HydrophobicContact CE1-CG2 3.73Å; Y32-V36 HydrophobicContact CE2-CG2 3.92Å; Y32-V36 HydrophobicContact CG-CG2 4.49Å; Y32-V36 WeakPolarHBondContact O-CG2 3.45Å; Y32-V36 PolarHBondContact O-N 2.78Å
33	L	75.1	Confident	72.9	Confident	53 Å²	53	88.5 Å²	88.5	28%	0.277	44%	0.439	S	S	.	.	H	α-helix	trans	-63.1	-38.6	179.5	-71.7	173.8	0	0	0	112.2	S29 E30 V36 R37	S29-L33 WeakPolarHBondContact O-CB 3.21Å; S29-L33 VanDerWaalsContact O-CG 3.29Å; S29-L33 WeakPolarHBondContact O-CG 3.37Å; S29-L33 PolarHBondContact O-N 3.12Å; E30-L33 PolarHBondContact O-N 3.1Å; L33-V36 PolarHBondContact O-N 2.89Å; L33-R37 WeakPolarHBondContact O-CB 3.48Å; L33-R37 PolarHBondContact O-N 2.96Å
34	S	69.6	Low	74.5	Confident	64 Å²	64	87 Å²	87	45%	0.448	43%	0.431	S	S	.	.	H	α-helix	trans	-63.1	-44	172.2	-175.5	0	0	0	0	111.3	E30 I31 Y32 R37 S38	E30-S34 WeakPolarHBondContact O-CB 3.38Å; E30-S34 PolarHBondContact O-N 3.26Å; I31-S34 PolarHBondContact O-N 2.94Å; Y32-S34 VanDerWaalsContact C-N 3.33Å; Y32-S34 PolarHBondContact O-N 3.39Å; S34-R37 PolarHBondContact O-N 3.42Å; S34-S38 WeakPolarHBondContact O-CB 3.49Å; S34-S38 PolarHBondContact O-N 3.2Å
35	G	75.6	Confident	75.8	Confident	30 Å²	30	88.2 Å²	88.2	31%	0.309	43%	0.428	S	S	.	.	H	α-helix	trans	-57.5	-51.2	172.8	0	0	0	0	0	112.2	I31 Y32 R37 S38 W39	I31-G35 PolarHBondContact O-N 2.88Å; Y32-G35 CarbonylContact O-C 3.57Å; Y32-G35 WeakPolarHBondContact O-CA 3.3Å; Y32-G35 PolarHBondContact O-N 3.48Å; Y32-G35 VanDerWaalsContact O-N 3.12Å; G35-R37 VanDerWaalsContact C-N 3.33Å; G35-R37 PolarHBondContact O-N 3.03Å; G35-S38 WeakPolarHBondContact O-CB 3.26Å; G35-S38 PolarHBondContact O-N 2.99Å; G35-W39 PolarHBondContact O-N 2.99Å
36	V	80.8	Confident	76.8	Confident	40 Å²	40	84.3 Å²	84.3	24%	0.242	42%	0.415	C	S	.	.	H	α-helix	trans	-59.5	-42.4	176.8	171.8	0	0	0	0	111.3	Y32 L33 W39 K40	Y32-V36 HydrophobicContact CD1-CG2 4.2Å; Y32-V36 HydrophobicContact CD2-CG2 4.36Å; Y32-V36 HydrophobicContact CE1-CG2 3.73Å; Y32-V36 HydrophobicContact CE2-CG2 3.92Å; Y32-V36 HydrophobicContact CG-CG2 4.49Å; Y32-V36 WeakPolarHBondContact O-CG2 3.45Å; Y32-V36 PolarHBondContact O-N 2.78Å; L33-V36 PolarHBondContact O-N 2.89Å; V36-W39 PolarHBondContact O-N 2.97Å; V36-K40 HydrophobicContact CG1-CD 4.14Å; V36-K40 HydrophobicContact CG1-CG 4.41Å; V36-K40 WeakPolarHBondContact O-CB 3.42Å; V36-K40 WeakPolarHBondContact O-CG 3.5Å; V36-K40 PolarHBondContact O-N 3.39Å
37	R	75.9	Confident	78.2	Confident	47 Å²	47	82.7 Å²	82.7	18%	0.177	41%	0.406	C	S	.	.	H	α-helix	trans	-62.3	-46	176.5	-175.7	-168.8	-67.6	167.5	-4.3	111.2	L33 S34 G35 K40 K41 Y347 G350	L33-R37 WeakPolarHBondContact O-CB 3.48Å; L33-R37 PolarHBondContact O-N 2.96Å; S34-R37 PolarHBondContact O-N 3.42Å; G35-R37 VanDerWaalsContact C-N 3.33Å; G35-R37 PolarHBondContact O-N 3.03Å; R37-K40 PolarHBondContact O-N 3.1Å; R37-K41 WeakPolarHBondContact O-CB 3.45Å; R37-K41 WeakPolarHBondContact O-CG 3.32Å; R37-K41 PolarHBondContact O-N 3.26Å; R37-Y347 VanDerWaalsContact CZ-CD1 3.49Å; R37-G350 PolarHBondContact NH2-O 3.28Å
38	S	76.9	Confident	79.7	Confident	64 Å²	64	82 Å²	82	45%	0.448	40%	0.399	S	S	.	.	H	α-helix	trans	-59.8	-47.1	177.4	-175.1	0	0	0	0	111.1	S34 G35 K41 R42	S34-S38 WeakPolarHBondContact O-CB 3.49Å; S34-S38 PolarHBondContact O-N 3.2Å; G35-S38 WeakPolarHBondContact O-CB 3.26Å; G35-S38 PolarHBondContact O-N 2.99Å; S38-K41 PolarHBondContact O-N 3.43Å; S38-R42 WeakPolarHBondContact O-CB 3.39Å; S38-R42 PolarHBondContact O-N 3.44Å
39	W	82.7	Confident	80.5	Confident	176 Å²	176	87 Å²	87	67%	0.667	41%	0.413	S	S	*	.	H	α-helix	trans	-60.5	-48.6	174.8	-89.6	91.6	0	0	0	112.9	G35 V36 K41 R42 I43	G35-W39 PolarHBondContact O-N 2.99Å; V36-W39 PolarHBondContact O-N 2.97Å; W39-K41 VanDerWaalsContact C-N 3.31Å; W39-K41 PolarHBondContact O-N 3.19Å; W39-R42 PolarHBondContact O-N 3.48Å; W39-R42 VanDerWaalsContact O-N 3.16Å; W39-I43 WeakPolarHBondContact O-CG1 3Å; W39-I43 PolarHBondContact O-N 2.91Å
40	K	83.7	Confident	81.1	Confident	136 Å²	136	87.8 Å²	87.8	59%	0.591	42%	0.415	S	S	*	.	H	α-helix	trans	-56.9	-44.1	175.7	-77.6	179.9	179.3	178.8	0	111.5	V36 R37 I43 I44	V36-K40 HydrophobicContact CG1-CD 4.14Å; V36-K40 HydrophobicContact CG1-CG 4.41Å; V36-K40 WeakPolarHBondContact O-CB 3.42Å; V36-K40 WeakPolarHBondContact O-CG 3.5Å; V36-K40 PolarHBondContact O-N 3.39Å; R37-K40 PolarHBondContact O-N 3.1Å; K40-I43 PolarHBondContact O-N 3.15Å; K40-I44 VanDerWaalsContact O-CG1 3.28Å; K40-I44 WeakPolarHBondContact O-CG1 3.48Å; K40-I44 PolarHBondContact O-N 3.01Å
41	K	79.1	Confident	82	Confident	45 Å²	45	86.7 Å²	86.7	20%	0.196	41%	0.411	C	S	.	.	H	α-helix	trans	-62.7	-45.6	175.7	-77.1	-178	178.7	-175	0	111.7	R37 S38 W39 I43 I44 R45 D329	R37-K41 WeakPolarHBondContact O-CB 3.45Å; R37-K41 WeakPolarHBondContact O-CG 3.32Å; R37-K41 PolarHBondContact O-N 3.26Å; S38-K41 PolarHBondContact O-N 3.43Å; W39-K41 VanDerWaalsContact C-N 3.31Å; W39-K41 PolarHBondContact O-N 3.19Å; K41-I43 VanDerWaalsContact C-N 3.32Å; K41-I43 PolarHBondContact O-N 3.47Å; K41-I44 PolarHBondContact O-N 3.34Å; K41-R45 WeakPolarHBondContact O-CG 3.36Å; K41-R45 PolarHBondContact O-N 2.78Å; K41-D329 WeakPolarHBondContact CD-OD2 3.42Å; K41-D329 IonicContact NZ-OD1 2.79Å; K41-D329 PolarHBondContact NZ-OD1 3.01Å; K41-D329 IonicContact NZ-OD2 2.87Å
42	R	83.6	Confident	82.7	Confident	169 Å²	169	83.4 Å²	83.4	64%	0.638	40%	0.396	S	S	*	.	H	α-helix	trans	-60.7	-42.6	178.3	-169.6	172.4	-177.5	166.5	0.5	111.3	S38 W39 R45 V46	S38-R42 WeakPolarHBondContact O-CB 3.39Å; S38-R42 PolarHBondContact O-N 3.44Å; W39-R42 PolarHBondContact O-N 3.48Å; W39-R42 VanDerWaalsContact O-N 3.16Å; R42-R45 PolarHBondContact O-N 3.4Å; R42-V46 VanDerWaalsContact O-CG2 3.29Å; R42-V46 WeakPolarHBondContact O-CG2 3.46Å; R42-V46 PolarHBondContact O-N 2.91Å
43	I	87.4	Confident	82.9	Confident	104 Å²	104	77.4 Å²	77.4	53%	0.533	38%	0.383	S	S	.	.	H	α-helix	trans	-62.3	-45.5	174.7	-67.8	167.1	0	0	0	110.9	W39 K40 K41 V46 K47	W39-I43 WeakPolarHBondContact O-CG1 3Å; W39-I43 PolarHBondContact O-N 2.91Å; K40-I43 PolarHBondContact O-N 3.15Å; K41-I43 VanDerWaalsContact C-N 3.32Å; K41-I43 PolarHBondContact O-N 3.47Å; I43-V46 PolarHBondContact O-N 3.11Å; I43-K47 VanDerWaalsContact O-CB 3.3Å; I43-K47 WeakPolarHBondContact O-CB 3.34Å; I43-K47 PolarHBondContact O-N 3.31Å
44	I	86.9	Confident	83.5	Confident	53 Å²	53	75.5 Å²	75.5	27%	0.272	37%	0.373	S	S	.	.	H	α-helix	trans	-61.5	-45.3	176.2	-69.7	165.5	0	0	0	110.9	K40 K41 V46 K47 N48 K287	K40-I44 VanDerWaalsContact O-CG1 3.28Å; K40-I44 WeakPolarHBondContact O-CG1 3.48Å; K40-I44 PolarHBondContact O-N 3.01Å; K41-I44 PolarHBondContact O-N 3.34Å; I44-V46 PolarHBondContact O-N 3.26Å; I44-K47 PolarHBondContact O-N 2.9Å; I44-N48 VanDerWaalsContact O-CB 3.31Å; I44-N48 WeakPolarHBondContact O-CB 3.41Å; I44-N48 PolarHBondContact O-N 3.27Å; I44-N48 PolarHBondContact O-OD1 3.41Å; I44-K287 HydrophobicContact CG2-CG 4.37Å
45	R	84.9	Confident	84.5	Confident	74 Å²	74	72.9 Å²	72.9	28%	0.279	35%	0.353	S	S	.	.	H	α-helix	trans	-59.9	-44.6	176.4	-73.2	-167.5	-113.4	163.6	-4.7	111.3	K41 R42 N48 R49 E328 D329	K41-R45 WeakPolarHBondContact O-CG 3.36Å; K41-R45 PolarHBondContact O-N 2.78Å; R42-R45 PolarHBondContact O-N 3.4Å; R45-N48 PolarHBondContact O-N 3.19Å; R45-R49 WeakPolarHBondContact O-CB 3.38Å; R45-R49 VanDerWaalsContact O-CG 3.28Å; R45-R49 WeakPolarHBondContact O-CG 3.48Å; R45-R49 PolarHBondContact O-N 3.48Å; R45-E328 IonicContact CZ-OE2 3.53Å; R45-E328 IonicContact NH1-OE1 3.7Å; R45-E328 IonicContact NH1-OE2 3.22Å; R45-E328 PolarHBondContact NH1-OE2 3.15Å; R45-E328 IonicContact NH2-OE2 2.79Å; R45-E328 PolarHBondContact NH2-OE2 3.01Å; R45-D329 IonicContact CZ-OD2 3.99Å; R45-D329 IonicContact NH2-OD2 2.7Å; R45-D329 PolarHBondContact NH2-OD2 3.26Å
46	V	86.9	Confident	85	Confident	80 Å²	80	71.9 Å²	71.9	49%	0.485	34%	0.342	S	S	.	.	H	α-helix	trans	-63.1	-48.6	176.2	170.2	0	0	0	0	110.8	R42 I43 I44 N48 R49 V50	R42-V46 VanDerWaalsContact O-CG2 3.29Å; R42-V46 WeakPolarHBondContact O-CG2 3.46Å; R42-V46 PolarHBondContact O-N 2.91Å; I43-V46 PolarHBondContact O-N 3.11Å; I44-V46 PolarHBondContact O-N 3.26Å; V46-N48 VanDerWaalsContact C-N 3.33Å; V46-N48 PolarHBondContact O-N 2.89Å; V46-R49 PolarHBondContact O-N 2.61Å; V46-V50 WeakPolarHBondContact O-CG2 3.16Å; V46-V50 PolarHBondContact O-N 3.08Å
47	K	90.2	Very high	85.3	Confident	126 Å²	126	71 Å²	71	55%	0.548	34%	0.338	S	S	.	.	H	α-helix	trans	-55.6	-48.2	175.6	176.3	-171.8	171.1	-176.5	0	111.1	I43 I44 V50 I51	I43-K47 VanDerWaalsContact O-CB 3.3Å; I43-K47 WeakPolarHBondContact O-CB 3.34Å; I43-K47 PolarHBondContact O-N 3.31Å; I44-K47 PolarHBondContact O-N 2.9Å; K47-V50 PolarHBondContact O-N 3.08Å; K47-I51 HydrophobicContact CD-CD1 4.31Å; K47-I51 HydrophobicContact CG-CD1 3.77Å; K47-I51 HydrophobicContact CG-CG1 4.46Å; K47-I51 VanDerWaalsContact O-CG1 3.32Å; K47-I51 WeakPolarHBondContact O-CG1 3.22Å; K47-I51 PolarHBondContact O-N 3.38Å
48	N	90.1	Very high	85.8	Confident	9 Å²	9	70.9 Å²	70.9	5%	0.048	35%	0.345	C	S	.	.	H	α-helix	trans	-67.6	-38.4	-179	-72.5	-0.5	0	0	0	111.9	I44 R45 V46 V50 I51 S52 L162 K287 E288	I44-N48 VanDerWaalsContact O-CB 3.31Å; I44-N48 WeakPolarHBondContact O-CB 3.41Å; I44-N48 PolarHBondContact O-N 3.27Å; I44-N48 PolarHBondContact O-OD1 3.41Å; R45-N48 PolarHBondContact O-N 3.19Å; V46-N48 VanDerWaalsContact C-N 3.33Å; V46-N48 PolarHBondContact O-N 2.89Å; N48-V50 VanDerWaalsContact C-N 3.29Å; N48-V50 PolarHBondContact O-N 3.39Å; N48-I51 PolarHBondContact O-N 2.85Å; N48-S52 WeakPolarHBondContact O-CB 3.29Å; N48-S52 PolarHBondContact O-N 3.31Å; N48-S52 PolarHBondContact O-OG 3.38Å; N48-L162 HydrophobicContact CB-CD1 4.08Å; N48-K287 VanDerWaalsContact ND2-C 3.29Å; N48-K287 PolarHBondContact ND2-O 2.86Å; N48-E288 HydrophobicContact CB-CG 4.5Å; N48-E288 WeakPolarHBondContact CB-OE1 3.47Å
49	R	87.2	Confident	86.3	Confident	175 Å²	175	70.8 Å²	70.8	66%	0.66	34%	0.343	S	S	*	.	H	α-helix	trans	-60.2	-38.3	171	-78.1	178.3	-176.4	-175.8	0.9	112.1	R45 V46 S52 G53	R45-R49 WeakPolarHBondContact O-CB 3.38Å; R45-R49 VanDerWaalsContact O-CG 3.28Å; R45-R49 WeakPolarHBondContact O-CG 3.48Å; R45-R49 PolarHBondContact O-N 3.48Å; V46-R49 PolarHBondContact O-N 2.61Å; R49-S52 PolarHBondContact O-OG 3Å; R49-G53 WeakPolarHBondContact O-CA 3.2Å; R49-G53 PolarHBondContact O-N 3.49Å
50	V	86.6	Confident	86.5	Confident	76 Å²	76	66.4 Å²	66.4	46%	0.461	34%	0.339	S	S	.	.	H	α-helix	trans	-67.6	-49.1	173.4	174	0	0	0	0	110.3	V46 K47 N48 G53 V54	V46-V50 WeakPolarHBondContact O-CG2 3.16Å; V46-V50 PolarHBondContact O-N 3.08Å; K47-V50 PolarHBondContact O-N 3.08Å; N48-V50 VanDerWaalsContact C-N 3.29Å; N48-V50 PolarHBondContact O-N 3.39Å; V50-G53 CarbonylContact O-C 3.44Å; V50-G53 PolarHBondContact O-N 3.49Å; V50-V54 WeakPolarHBondContact O-CG1 3.42Å; V50-V54 WeakPolarHBondContact O-CG2 3.34Å; V50-V54 PolarHBondContact O-N 3.38Å
51	I	87.4	Confident	86.8	Confident	48 Å²	48	61.7 Å²	61.7	25%	0.246	32%	0.323	C	S	.	.	H	α-helix	trans	-61.2	-52	-178.7	-68.5	169.5	0	0	0	111.7	K47 N48 G53 V54 Y55 P59 L162	K47-I51 HydrophobicContact CD-CD1 4.31Å; K47-I51 HydrophobicContact CG-CD1 3.77Å; K47-I51 HydrophobicContact CG-CG1 4.46Å; K47-I51 VanDerWaalsContact O-CG1 3.32Å; K47-I51 WeakPolarHBondContact O-CG1 3.22Å; K47-I51 PolarHBondContact O-N 3.38Å; N48-I51 PolarHBondContact O-N 2.85Å; I51-G53 VanDerWaalsContact C-N 3.29Å; I51-G53 PolarHBondContact O-N 3.15Å; I51-V54 PolarHBondContact O-N 3.08Å; I51-Y55 PolarHBondContact O-N 3.46Å; I51-Y55 VanDerWaalsContact O-N 3.13Å; I51-P59 HydrophobicContact CG1-CG 4.38Å; I51-L162 HydrophobicContact CB-CD1 4.02Å; I51-L162 HydrophobicContact CG2-CD1 3.68Å; I51-L162 HydrophobicContact CG2-CG 4.18Å
52	S	86.4	Confident	87.5	Confident	23 Å²	23	63.7 Å²	63.7	16%	0.161	33%	0.329	C	S	.	.	H	α-helix	trans	-66.5	-33.5	175.3	60.4	0	0	0	0	111.5	N48 R49 V54 Y55 R122	N48-S52 WeakPolarHBondContact O-CB 3.29Å; N48-S52 PolarHBondContact O-N 3.31Å; N48-S52 PolarHBondContact O-OG 3.38Å; R49-S52 PolarHBondContact O-OG 3Å; S52-V54 VanDerWaalsContact C-N 3.29Å; S52-V54 PolarHBondContact O-N 3.09Å; S52-Y55 WeakPolarHBondContact O-CB 3.49Å; S52-Y55 PolarHBondContact O-N 2.94Å; S52-R122 PolarHBondContact O-NH2 3.38Å
53	G	84.4	Confident	87.8	Confident	34 Å²	34	60.1 Å²	60.1	35%	0.351	32%	0.322	S	S	.	.	H	α-helix	trans	-70.4	-14.8	177.5	0	0	0	0	0	115.4	R49 V50 I51 R122	R49-G53 WeakPolarHBondContact O-CA 3.2Å; R49-G53 PolarHBondContact O-N 3.49Å; V50-G53 CarbonylContact O-C 3.44Å; V50-G53 PolarHBondContact O-N 3.49Å; I51-G53 VanDerWaalsContact C-N 3.29Å; I51-G53 PolarHBondContact O-N 3.15Å; G53-R122 PolarHBondContact O-NH1 3.18Å; G53-R122 PolarHBondContact O-NH2 3.22Å
54	V	88.4	Confident	88	Confident	13 Å²	13	62.4 Å²	62.4	8%	0.079	33%	0.329	C	S	.	.	H	α-helix	trans	-114.4	-7.7	174	-56.1	0	0	0	0	113.5	V50 I51 S52 A57 P59 W114 I118	V50-V54 WeakPolarHBondContact O-CG1 3.42Å; V50-V54 WeakPolarHBondContact O-CG2 3.34Å; V50-V54 PolarHBondContact O-N 3.38Å; I51-V54 PolarHBondContact O-N 3.08Å; S52-V54 VanDerWaalsContact C-N 3.29Å; S52-V54 PolarHBondContact O-N 3.09Å; V54-A57 WeakPolarHBondContact O-CA 3.37Å; V54-A57 WeakPolarHBondContact O-CB 3.5Å; V54-A57 PolarHBondContact O-N 3.37Å; V54-P59 HydrophobicContact CG2-CG 4.18Å; V54-W114 HydrophobicContact CB-CH2 4.04Å; V54-W114 HydrophobicContact CB-CZ2 4.06Å; V54-W114 HydrophobicContact CG1-CH2 3.49Å; V54-W114 VanDerWaalsContact CG1-CH2 3.49Å; V54-W114 HydrophobicContact CG1-CZ2 4.04Å; V54-W114 HydrophobicContact CG1-CZ3 4.22Å; V54-W114 HydrophobicContact CG2-CZ2 4.39Å; V54-I118 HydrophobicContact CB-CD1 3.75Å; V54-I118 HydrophobicContact CG1-CD1 4.11Å
55	Y	89.2	Confident	88.3	Confident	8 Å²	8	60.9 Å²	60.9	3%	0.031	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	138.4	174.9	-175.3	-90.7	0	0	0	111.3	I51 S52 R122 S157 P161 S165 Y166	I51-Y55 PolarHBondContact O-N 3.46Å; I51-Y55 VanDerWaalsContact O-N 3.13Å; S52-Y55 WeakPolarHBondContact O-CB 3.49Å; S52-Y55 PolarHBondContact O-N 2.94Å; Y55-R122 VanDerWaalsContact O-CZ 3.28Å; Y55-R122 PolarHBondContact O-NE 3.17Å; Y55-R122 PolarHBondContact O-NH2 3.1Å; Y55-S157 VanDerWaalsContact OH-C 3.23Å; Y55-S157 PolarHBondContact OH-O 2.95Å; Y55-P161 HydrophobicContact CE2-CB 4Å; Y55-S165 WeakPolarHBondContact CD1-O 3.45Å; Y55-Y166 AromaticContact CE1-CD1 3.76Å; Y55-Y166 HydrophobicContact CE1-CD1 3.76Å; Y55-Y166 AromaticContact CE1-CE1 3.79Å; Y55-Y166 HydrophobicContact CE1-CE1 3.79Å; Y55-Y166 HydrophobicContact CE1-CG 4.36Å; Y55-Y166 AromaticContact CZ-CE1 3.83Å; Y55-Y166 WeakPolarHBondContact OH-CE1 3.4Å; Y55-Y166 PolarHBondContact OH-OH 3.45Å; Y55-Y166 VanDerWaalsContact OH-OH 3.06Å
56	P	86.6	Confident	88.7	Confident	10 Å²	10	57.9 Å²	57.9	7%	0.065	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	cis	-82.8	-0.3	14.8	33.4	-37.5	0	0	0	116.3	M121 F156	P56-M121 HydrophobicContact CB-CE 4.39Å; P56-M121 HydrophobicContact CG-CB 3.77Å; P56-M121 HydrophobicContact CG-CE 3.86Å; P56-M121 HydrophobicContact CG-SD 4.46Å; P56-F156 WeakPolarHBondContact CB-O 3.17Å; P56-F156 WeakPolarHBondContact CG-O 3.28Å
57	A	87.1	Confident	88.9	Confident	20 Å²	20	58.8 Å²	58.8	17%	0.165	31%	0.313	C	S	.	.	S	Bend	trans	-78.5	-176.1	172.2	0	0	0	0	0	111.5	V54 I118	V54-A57 WeakPolarHBondContact O-CA 3.37Å; V54-A57 WeakPolarHBondContact O-CB 3.5Å; V54-A57 PolarHBondContact O-N 3.37Å; A57-I118 HydrophobicContact CB-CD1 4.17Å; A57-I118 HydrophobicContact CB-CG1 3.61Å
58	S	86.6	Confident	89	Confident	45 Å²	45	54.7 Å²	54.7	32%	0.315	30%	0.303	S	S	.	.			trans	-131	153.9	178.2	62.5	0	0	0	0	110.3	S60 S61	S58-S60 WeakPolarHBondContact CB-OG 3.4Å; S58-S60 PolarHBondContact O-N 3.24Å; S58-S60 VanDerWaalsContact O-N 3.14Å; S58-S60 PolarHBondContact OG-OG 3.1Å; S58-S61 PolarHBondContact O-N 3.2Å; S58-S61 PolarHBondContact O-OG 3.44Å; S58-S61 PolarHBondContact OG-N 3.34Å
59	P	86.2	Confident	89.1	Confident	62 Å²	62	54.9 Å²	54.9	40%	0.403	30%	0.304	S	S	.	.	H	α-helix	trans	-54.7	-31.7	171.8	-27.1	35.8	0	0	0	113	I51 V54 S61 W62	I51-P59 HydrophobicContact CG1-CG 4.38Å; V54-P59 HydrophobicContact CG2-CG 4.18Å; P59-S61 VanDerWaalsContact C-N 3.29Å; P59-S61 PolarHBondContact O-N 3.49Å; P59-W62 WeakPolarHBondContact O-CB 3.43Å; P59-W62 PolarHBondContact O-N 3.41Å
60	S	87.4	Confident	89.2	Confident	85 Å²	85	49.2 Å²	49.2	59%	0.594	29%	0.286	S	S	*	.	H	α-helix	trans	-65	-26.8	173.9	38.4	0	0	0	0	114.1	S58 W62 L63 F64	S58-S60 WeakPolarHBondContact CB-OG 3.4Å; S58-S60 PolarHBondContact O-N 3.24Å; S58-S60 VanDerWaalsContact O-N 3.14Å; S58-S60 PolarHBondContact OG-OG 3.1Å; S60-W62 VanDerWaalsContact C-N 3.27Å; S60-W62 PolarHBondContact O-N 2.7Å; S60-L63 PolarHBondContact O-N 2.72Å; S60-F64 PolarHBondContact O-N 3.28Å
61	S	90.2	Very high	89.4	Confident	36 Å²	36	48.1 Å²	48.1	25%	0.252	29%	0.285	S	S	.	.	H	α-helix	trans	-72.8	-21.7	177	72	0	0	0	0	112.7	S58 P59 F64 V65 W114	S58-S61 PolarHBondContact O-N 3.2Å; S58-S61 PolarHBondContact O-OG 3.44Å; S58-S61 PolarHBondContact OG-N 3.34Å; P59-S61 VanDerWaalsContact C-N 3.29Å; P59-S61 PolarHBondContact O-N 3.49Å; S61-F64 PolarHBondContact O-N 2.96Å; S61-V65 WeakPolarHBondContact O-CG2 3.34Å; S61-V65 PolarHBondContact O-N 3.49Å; S61-V65 VanDerWaalsContact O-N 3.11Å; S61-W114 PolarHBondContact OG-NE1 2.76Å
62	W	93	Very high	89.4	Confident	88 Å²	88	47.8 Å²	47.8	33%	0.333	29%	0.285	S	S	.	.	H	α-helix	trans	-61.9	-47.4	170.1	172.1	78.4	0	0	0	110.9	P59 S60 F64 V65 V66 V107 T111 W114	P59-W62 WeakPolarHBondContact O-CB 3.43Å; P59-W62 PolarHBondContact O-N 3.41Å; S60-W62 VanDerWaalsContact C-N 3.27Å; S60-W62 PolarHBondContact O-N 2.7Å; W62-F64 VanDerWaalsContact C-N 3.26Å; W62-F64 PolarHBondContact O-N 2.84Å; W62-V65 PolarHBondContact O-N 2.99Å; W62-V65 VanDerWaalsContact O-N 3.11Å; W62-V66 HydrophobicContact CD2-CG2 4.08Å; W62-V66 HydrophobicContact CG-CG2 4.46Å; W62-V66 HydrophobicContact CH2-CG2 4.48Å; W62-V66 HydrophobicContact CZ2-CG2 3.87Å; W62-V66 WeakPolarHBondContact O-CG2 3.24Å; W62-V66 PolarHBondContact O-N 3.15Å; W62-V107 HydrophobicContact CZ2-CG1 4.23Å; W62-T111 PolarHBondContact NE1-OG1 2.9Å; W62-W114 HydrophobicContact CB-CD2 3.73Å; W62-W114 HydrophobicContact CB-CE3 4.13Å; W62-W114 HydrophobicContact CB-CG 4.14Å; W62-W114 HydrophobicContact CB-CH2 4.12Å; W62-W114 HydrophobicContact CB-CZ2 3.78Å; W62-W114 HydrophobicContact CB-CZ3 4.31Å; W62-W114 AromaticContact CD1-CD2 3.9Å; W62-W114 AromaticContact CD1-CE3 3.73Å; W62-W114 HydrophobicContact CG-CD2 4.22Å; W62-W114 HydrophobicContact CG-CE3 4.25Å; W62-W114 HydrophobicContact CG-CZ3 4.49Å
63	L	91.3	Very high	89.2	Confident	93 Å²	93	49.6 Å²	49.6	49%	0.487	29%	0.292	S	S	.	.	H	α-helix	trans	-59.3	-40.5	178.7	-176.1	66.2	0	0	0	111.1	S60 V66 I67	S60-L63 PolarHBondContact O-N 2.72Å; L63-V66 PolarHBondContact O-N 2.98Å; L63-I67 HydrophobicContact CD1-CD1 4.03Å; L63-I67 HydrophobicContact CD1-CG1 4.29Å; L63-I67 HydrophobicContact CD2-CD1 4.33Å; L63-I67 HydrophobicContact CG-CD1 3.75Å; L63-I67 HydrophobicContact CG-CG1 4.37Å; L63-I67 WeakPolarHBondContact O-CB 3.41Å; L63-I67 VanDerWaalsContact O-CG1 3.25Å; L63-I67 WeakPolarHBondContact O-CG1 3.49Å; L63-I67 PolarHBondContact O-N 2.76Å
64	F	91.6	Very high	89.1	Confident	152 Å²	152	58 Å²	58	67%	0.667	31%	0.314	S	S	*	.	H	α-helix	trans	-61	-45.4	175.3	-177.8	-93.4	0	0	0	112.4	S60 S61 W62 I67 A68	S60-F64 PolarHBondContact O-N 3.28Å; S61-F64 PolarHBondContact O-N 2.96Å; W62-F64 VanDerWaalsContact C-N 3.26Å; W62-F64 PolarHBondContact O-N 2.84Å; F64-I67 PolarHBondContact O-N 2.95Å; F64-A68 VanDerWaalsContact O-CB 3.29Å; F64-A68 WeakPolarHBondContact O-CB 3.39Å; F64-A68 PolarHBondContact O-N 3.38Å
65	V	92.3	Very high	89	Confident	22 Å²	22	61.7 Å²	61.7	13%	0.133	34%	0.337	C	S	.	.	H	α-helix	trans	-62.7	-45.8	177.3	176	0	0	0	0	110.7	S61 W62 A68 I69 L113 W114	S61-V65 WeakPolarHBondContact O-CG2 3.34Å; S61-V65 PolarHBondContact O-N 3.49Å; S61-V65 VanDerWaalsContact O-N 3.11Å; W62-V65 PolarHBondContact O-N 2.99Å; W62-V65 VanDerWaalsContact O-N 3.11Å; V65-A68 PolarHBondContact O-N 3.06Å; V65-I69 HydrophobicContact CG1-CG1 4.39Å; V65-I69 WeakPolarHBondContact O-CG1 3.48Å; V65-I69 PolarHBondContact O-N 2.82Å; V65-L113 HydrophobicContact CG1-CD2 4.19Å; V65-W114 HydrophobicContact CG2-CB 4.47Å
66	V	93	Very high	88.5	Confident	10 Å²	10	72.7 Å²	72.7	6%	0.061	38%	0.378	C	S	.	.	H	α-helix	trans	-60.5	-48.3	178.3	172.8	0	0	0	0	111.4	W62 L63 A68 I69 L70 V107	W62-V66 HydrophobicContact CD2-CG2 4.08Å; W62-V66 HydrophobicContact CG-CG2 4.46Å; W62-V66 HydrophobicContact CH2-CG2 4.48Å; W62-V66 HydrophobicContact CZ2-CG2 3.87Å; W62-V66 WeakPolarHBondContact O-CG2 3.24Å; W62-V66 PolarHBondContact O-N 3.15Å; L63-V66 PolarHBondContact O-N 2.98Å; V66-A68 VanDerWaalsContact C-N 3.33Å; V66-A68 PolarHBondContact O-N 3.5Å; V66-I69 PolarHBondContact O-N 3.33Å; V66-L70 HydrophobicContact CG1-CD1 3.75Å; V66-L70 HydrophobicContact CG1-CG 4.32Å; V66-L70 WeakPolarHBondContact O-CB 3.37Å; V66-L70 VanDerWaalsContact O-CG 3.31Å; V66-L70 WeakPolarHBondContact O-CG 3.48Å; V66-L70 PolarHBondContact O-N 3.25Å; V66-V107 HydrophobicContact CG1-CG2 4.13Å
67	I	92.4	Very high	88.2	Confident	99 Å²	99	75.4 Å²	75.4	51%	0.508	40%	0.398	S	S	.	.	H	α-helix	trans	-61.8	-42.8	178.6	-69.5	170.8	0	0	0	110.6	L63 F64 L70 A71	L63-I67 HydrophobicContact CD1-CD1 4.03Å; L63-I67 HydrophobicContact CD1-CG1 4.29Å; L63-I67 HydrophobicContact CD2-CD1 4.33Å; L63-I67 HydrophobicContact CG-CD1 3.75Å; L63-I67 HydrophobicContact CG-CG1 4.37Å; L63-I67 WeakPolarHBondContact O-CB 3.41Å; L63-I67 VanDerWaalsContact O-CG1 3.25Å; L63-I67 WeakPolarHBondContact O-CG1 3.49Å; L63-I67 PolarHBondContact O-N 2.76Å; F64-I67 PolarHBondContact O-N 2.95Å; I67-L70 PolarHBondContact O-N 3.49Å; I67-A71 VanDerWaalsContact O-CB 3.24Å; I67-A71 WeakPolarHBondContact O-CB 3.28Å; I67-A71 PolarHBondContact O-N 2.98Å
68	A	91.8	Very high	87.7	Confident	41 Å²	41	78.1 Å²	78.1	34%	0.339	41%	0.409	S	S	.	.	H	α-helix	trans	-61.8	-46.3	178.5	0	0	0	0	0	111.8	F64 V65 V66 A71 T72	F64-A68 VanDerWaalsContact O-CB 3.29Å; F64-A68 WeakPolarHBondContact O-CB 3.39Å; F64-A68 PolarHBondContact O-N 3.38Å; V65-A68 PolarHBondContact O-N 3.06Å; V66-A68 VanDerWaalsContact C-N 3.33Å; V66-A68 PolarHBondContact O-N 3.5Å; A68-A71 PolarHBondContact O-N 2.88Å; A68-T72 WeakPolarHBondContact O-CG2 3.45Å; A68-T72 PolarHBondContact O-N 3.43Å; A68-T72 PolarHBondContact O-OG1 2.94Å
69	I	91.9	Very high	87.3	Confident	13 Å²	13	79.1 Å²	79.1	7%	0.067	42%	0.415	C	S	.	.	H	α-helix	trans	-65.3	-45	178.2	-64.7	-62.7	0	0	0	111.2	V65 V66 A71 T72 M73 P79 I84 A106 F109 S110 L113	V65-I69 HydrophobicContact CG1-CG1 4.39Å; V65-I69 WeakPolarHBondContact O-CG1 3.48Å; V65-I69 PolarHBondContact O-N 2.82Å; V66-I69 PolarHBondContact O-N 3.33Å; I69-A71 VanDerWaalsContact C-N 3.31Å; I69-A71 PolarHBondContact O-N 2.77Å; I69-T72 WeakPolarHBondContact CA-OG1 3.37Å; I69-T72 PolarHBondContact O-N 3.15Å; I69-T72 PolarHBondContact O-OG1 3.08Å; I69-M73 WeakPolarHBondContact O-CG 3.49Å; I69-M73 PolarHBondContact O-N 3.01Å; I69-P79 HydrophobicContact CD1-CB 4.49Å; I69-P79 HydrophobicContact CD1-CG 3.61Å; I69-I84 HydrophobicContact CG2-CD1 3.86Å; I69-A106 HydrophobicContact CG2-CB 4.33Å; I69-F109 HydrophobicContact CD1-CD1 4.41Å; I69-F109 HydrophobicContact CD1-CE1 4.03Å; I69-F109 HydrophobicContact CG2-CD1 4.38Å; I69-S110 VanDerWaalsContact CB-OG 3.31Å; I69-S110 WeakPolarHBondContact CB-OG 3.3Å; I69-S110 WeakPolarHBondContact CG1-OG 3.39Å; I69-L113 HydrophobicContact CD1-CD2 4.33Å
70	L	89.9	Confident	87.1	Confident	56 Å²	56	76.2 Å²	76.2	29%	0.293	40%	0.396	S	S	.	.	H	α-helix	trans	-62.3	-39	176.8	-71.3	174.4	0	0	0	112.1	V66 I67 M73 Y74 V103 A106	V66-L70 HydrophobicContact CG1-CD1 3.75Å; V66-L70 HydrophobicContact CG1-CG 4.32Å; V66-L70 WeakPolarHBondContact O-CB 3.37Å; V66-L70 VanDerWaalsContact O-CG 3.31Å; V66-L70 WeakPolarHBondContact O-CG 3.48Å; V66-L70 PolarHBondContact O-N 3.25Å; I67-L70 PolarHBondContact O-N 3.49Å; L70-M73 PolarHBondContact O-N 2.79Å; L70-Y74 PolarHBondContact O-N 3.01Å; L70-V103 HydrophobicContact CD2-CG1 4.41Å; L70-A106 HydrophobicContact CD2-CB 3.8Å
71	A	89.8	Confident	87	Confident	52 Å²	52	80.6 Å²	80.6	43%	0.43	41%	0.409	S	S	.	.	H	α-helix	trans	-62.4	-44.1	174.6	0	0	0	0	0	111.3	I67 A68 I69 M73 Y74 T75	I67-A71 VanDerWaalsContact O-CB 3.24Å; I67-A71 WeakPolarHBondContact O-CB 3.28Å; I67-A71 PolarHBondContact O-N 2.98Å; A68-A71 PolarHBondContact O-N 2.88Å; I69-A71 VanDerWaalsContact C-N 3.31Å; I69-A71 PolarHBondContact O-N 2.77Å; A71-M73 VanDerWaalsContact C-N 3.32Å; A71-M73 PolarHBondContact O-N 3.33Å; A71-Y74 WeakPolarHBondContact O-CB 3.08Å; A71-Y74 PolarHBondContact O-N 2.96Å; A71-Y74 VanDerWaalsContact O-N 3.15Å; A71-T75 PolarHBondContact O-N 2.79Å; A71-T75 PolarHBondContact O-OG1 3.41Å
72	T	87.8	Confident	86.7	Confident	41 Å²	41	80.5 Å²	80.5	25%	0.252	41%	0.414	S	S	.	.	H	α-helix	trans	-63.2	-37.3	177.2	55.2	0	0	0	0	112.9	A68 I69 Y74 T75 R76 S77 P79	A68-T72 WeakPolarHBondContact O-CG2 3.45Å; A68-T72 PolarHBondContact O-N 3.43Å; A68-T72 PolarHBondContact O-OG1 2.94Å; I69-T72 WeakPolarHBondContact CA-OG1 3.37Å; I69-T72 PolarHBondContact O-N 3.15Å; I69-T72 PolarHBondContact O-OG1 3.08Å; T72-Y74 VanDerWaalsContact C-N 3.34Å; T72-Y74 PolarHBondContact O-N 3.29Å; T72-T75 WeakPolarHBondContact CA-OG1 3.46Å; T72-T75 CarbonylContact O-C 3.54Å; T72-T75 PolarHBondContact O-N 2.93Å; T72-T75 PolarHBondContact O-OG1 3.43Å; T72-R76 PolarHBondContact O-N 3.34Å; T72-S77 CarbonylContact C-O 3.6Å; T72-S77 WeakPolarHBondContact CB-O 3.37Å; T72-S77 PolarHBondContact O-N 3.19Å; T72-P79 HydrophobicContact CG2-CG 4.43Å; T72-P79 WeakPolarHBondContact OG1-CD 3.37Å; T72-P79 WeakPolarHBondContact OG1-CG 3.48Å
73	M	82.3	Confident	86.3	Confident	61 Å²	61	80.5 Å²	80.5	30%	0.3	42%	0.42	S	S	.	.	H	α-helix	trans	-64.4	-39.4	173.8	-71.5	-179.5	68.7	0	0	111.9	I69 L70 A71 T75 R76 I84 A102 A106	I69-M73 WeakPolarHBondContact O-CG 3.49Å; I69-M73 PolarHBondContact O-N 3.01Å; L70-M73 PolarHBondContact O-N 2.79Å; A71-M73 VanDerWaalsContact C-N 3.32Å; A71-M73 PolarHBondContact O-N 3.33Å; M73-T75 VanDerWaalsContact C-N 3.29Å; M73-T75 PolarHBondContact O-N 3.43Å; M73-R76 PolarHBondContact O-N 2.6Å; M73-R76 VanDerWaalsContact O-N 3.1Å; M73-I84 HydrophobicContact CE-CG2 4.23Å; M73-I84 HydrophobicContact SD-CD1 4.08Å; M73-I84 HydrophobicContact SD-CG2 4.4Å; M73-A102 HydrophobicContact CE-CB 4.2Å; M73-A106 HydrophobicContact CE-CB 4.29Å; M73-A106 HydrophobicContact SD-CB 3.33Å; M73-A106 WeakPolarHBondContact SD-CB 3.4Å
74	Y	83.1	Confident	86.1	Confident	211 Å²	211	76.4 Å²	76.4	83%	0.827	40%	0.399	S	S	*	.	H	α-helix	trans	-64.7	-35.6	175.5	-166	-96.6	0	0	0	111.8	L70 A71 T72 R76	L70-Y74 PolarHBondContact O-N 3.01Å; A71-Y74 WeakPolarHBondContact O-CB 3.08Å; A71-Y74 PolarHBondContact O-N 2.96Å; A71-Y74 VanDerWaalsContact O-N 3.15Å; T72-Y74 VanDerWaalsContact C-N 3.34Å; T72-Y74 PolarHBondContact O-N 3.29Å; Y74-R76 PolarHBondContact O-N 3.28Å
75	T	85.4	Confident	85.7	Confident	90 Å²	90	71.4 Å²	71.4	55%	0.552	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	15	173.7	65.2	0	0	0	0	113.9	A71 T72 M73 S77	A71-T75 PolarHBondContact O-N 2.79Å; A71-T75 PolarHBondContact O-OG1 3.41Å; T72-T75 WeakPolarHBondContact CA-OG1 3.46Å; T72-T75 CarbonylContact O-C 3.54Å; T72-T75 PolarHBondContact O-N 2.93Å; T72-T75 PolarHBondContact O-OG1 3.43Å; M73-T75 VanDerWaalsContact C-N 3.29Å; M73-T75 PolarHBondContact O-N 3.43Å; T75-S77 PolarHBondContact O-N 3.09Å; T75-S77 VanDerWaalsContact O-N 3.13Å; T75-S77 PolarHBondContact O-OG 3.18Å
76	R	79.1	Confident	85.5	Confident	239 Å²	239	76.6 Å²	76.6	90%	0.902	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	27.8	179.7	-57.8	-173.3	179.4	-171.8	-0	115	T72 M73 Y74	T72-R76 PolarHBondContact O-N 3.34Å; M73-R76 PolarHBondContact O-N 2.6Å; M73-R76 VanDerWaalsContact O-N 3.1Å; Y74-R76 PolarHBondContact O-N 3.28Å
77	S	79.1	Confident	85.2	Confident	68 Å²	68	77.8 Å²	77.8	48%	0.476	41%	0.412	S	S	.	.			trans	-109.1	122	173.9	-62	0	0	0	0	108.2	T72 T75 P79	T72-S77 CarbonylContact C-O 3.6Å; T72-S77 WeakPolarHBondContact CB-O 3.37Å; T72-S77 PolarHBondContact O-N 3.19Å; T75-S77 PolarHBondContact O-N 3.09Å; T75-S77 VanDerWaalsContact O-N 3.13Å; T75-S77 PolarHBondContact O-OG 3.18Å; S77-P79 WeakPolarHBondContact O-CD 3.25Å
78	D	78.3	Confident	84.9	Confident	76 Å²	76	75.5 Å²	75.5	41%	0.406	40%	0.399	S	S	.	.			trans	-99.8	97.5	178.9	-177.5	14	0	0	0	111.4	S80 M81 G82	D78-S80 VanDerWaalsContact CG-OG 3.25Å; D78-S80 PolarHBondContact O-N 3.08Å; D78-S80 WeakPolarHBondContact OD1-CA 3.22Å; D78-S80 WeakPolarHBondContact OD1-CB 2.92Å; D78-S80 PolarHBondContact OD1-N 2.79Å; D78-S80 PolarHBondContact OD1-OG 2.91Å; D78-S80 PolarHBondContact OD2-OG 2.94Å; D78-M81 PolarHBondContact O-N 3.4Å; D78-G82 WeakPolarHBondContact OD2-CA 3.35Å; D78-G82 PolarHBondContact OD2-N 3.15Å
79	P	78.4	Confident	84.6	Confident	66 Å²	66	80.8 Å²	80.8	43%	0.429	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-11	176.4	32.5	-37.6	0	0	0	112.7	I69 T72 S77 M81	I69-P79 HydrophobicContact CD1-CB 4.49Å; I69-P79 HydrophobicContact CD1-CG 3.61Å; T72-P79 HydrophobicContact CG2-CG 4.43Å; T72-P79 WeakPolarHBondContact OG1-CD 3.37Å; T72-P79 WeakPolarHBondContact OG1-CG 3.48Å; S77-P79 WeakPolarHBondContact O-CD 3.25Å; P79-M81 VanDerWaalsContact C-N 3.31Å
80	S	81.4	Confident	84.2	Confident	2 Å²	2	86.8 Å²	86.8	1%	0.014	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-5.1	179.8	83	0	0	0	0	113.4	D78 G82 L83 I84	D78-S80 VanDerWaalsContact CG-OG 3.25Å; D78-S80 PolarHBondContact O-N 3.08Å; D78-S80 WeakPolarHBondContact OD1-CA 3.22Å; D78-S80 WeakPolarHBondContact OD1-CB 2.92Å; D78-S80 PolarHBondContact OD1-N 2.79Å; D78-S80 PolarHBondContact OD1-OG 2.91Å; D78-S80 PolarHBondContact OD2-OG 2.94Å; S80-G82 VanDerWaalsContact C-N 3.27Å; S80-G82 PolarHBondContact O-N 3.02Å; S80-L83 WeakPolarHBondContact O-CB 3.36Å; S80-L83 WeakPolarHBondContact O-CD1 3.31Å; S80-L83 PolarHBondContact O-N 2.78Å; S80-L83 PolarHBondContact OG-N 2.77Å; S80-I84 WeakPolarHBondContact OG-CG1 3.44Å; S80-I84 PolarHBondContact OG-N 3.02Å; S80-I84 VanDerWaalsContact OG-N 3.07Å
81	M	84.5	Confident	83.9	Confident	176 Å²	176	86 Å²	86	87%	0.867	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	42.9	-176.9	-57.9	-175.4	-75.1	0	0	112.6	D78 P79	D78-M81 PolarHBondContact O-N 3.4Å; P79-M81 VanDerWaalsContact C-N 3.31Å
82	G	83.9	Confident	83	Confident	34 Å²	34	89.6 Å²	89.6	35%	0.351	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	-2.4	178.4	0	0	0	0	0	115.7	D78 S80 I84 A85 K86	D78-G82 WeakPolarHBondContact OD2-CA 3.35Å; D78-G82 PolarHBondContact OD2-N 3.15Å; S80-G82 VanDerWaalsContact C-N 3.27Å; S80-G82 PolarHBondContact O-N 3.02Å; G82-I84 VanDerWaalsContact C-N 3.35Å; G82-I84 PolarHBondContact O-N 3.19Å; G82-A85 PolarHBondContact O-N 3.42Å; G82-K86 PolarHBondContact O-N 3.25Å; G82-K86 VanDerWaalsContact O-N 3.11Å
83	L	85.5	Confident	82.2	Confident	89 Å²	89	90.3 Å²	90.3	47%	0.466	46%	0.463	S	S	.	.	H	α-helix	trans	-63.9	-37	178.2	-86.2	154.1	0	0	0	112.7	S80 K86 I87 F109	S80-L83 WeakPolarHBondContact O-CB 3.36Å; S80-L83 WeakPolarHBondContact O-CD1 3.31Å; S80-L83 PolarHBondContact O-N 2.78Å; S80-L83 PolarHBondContact OG-N 2.77Å; L83-K86 PolarHBondContact O-N 3.46Å; L83-I87 VanDerWaalsContact O-CG1 3.31Å; L83-I87 WeakPolarHBondContact O-CG1 3.13Å; L83-I87 PolarHBondContact O-N 2.86Å; L83-F109 HydrophobicContact CB-CD2 4.01Å; L83-F109 HydrophobicContact CB-CE2 3.91Å; L83-F109 HydrophobicContact CD1-CE2 4.06Å
84	I	86.2	Confident	81.1	Confident	7 Å²	7	93.3 Å²	93.3	4%	0.036	49%	0.49	C	S	.	.	H	α-helix	trans	-62.4	-43.8	177.2	-69.8	166.8	0	0	0	110.7	I69 M73 S80 G82 K86 I87 Q88 S105 F109	I69-I84 HydrophobicContact CG2-CD1 3.86Å; M73-I84 HydrophobicContact CE-CG2 4.23Å; M73-I84 HydrophobicContact SD-CD1 4.08Å; M73-I84 HydrophobicContact SD-CG2 4.4Å; S80-I84 WeakPolarHBondContact OG-CG1 3.44Å; S80-I84 PolarHBondContact OG-N 3.02Å; S80-I84 VanDerWaalsContact OG-N 3.07Å; G82-I84 VanDerWaalsContact C-N 3.35Å; G82-I84 PolarHBondContact O-N 3.19Å; I84-K86 VanDerWaalsContact C-N 3.34Å; I84-K86 PolarHBondContact O-N 3.05Å; I84-I87 PolarHBondContact O-N 3.1Å; I84-Q88 PolarHBondContact O-N 3.32Å; I84-S105 WeakPolarHBondContact O-CB 3.47Å; I84-F109 HydrophobicContact CD1-CB 4.39Å; I84-F109 HydrophobicContact CD1-CD1 3.92Å; I84-F109 HydrophobicContact CD1-CG 4.23Å; I84-F109 HydrophobicContact CG1-CB 3.65Å; I84-F109 HydrophobicContact CG1-CD1 3.91Å; I84-F109 HydrophobicContact CG1-CD2 4.33Å; I84-F109 HydrophobicContact CG1-CG 3.69Å
85	A	84.7	Confident	80.4	Confident	47 Å²	47	92 Å²	92	39%	0.388	49%	0.492	S	S	.	.	H	α-helix	trans	-63.2	-41	176.6	0	0	0	0	0	111.6	G82 I87 Q88 E89	G82-A85 PolarHBondContact O-N 3.42Å; A85-I87 PolarHBondContact O-N 3.46Å; A85-Q88 WeakPolarHBondContact O-CA 3.44Å; A85-Q88 WeakPolarHBondContact O-CB 3.28Å; A85-Q88 PolarHBondContact O-N 3.02Å; A85-Q88 VanDerWaalsContact O-N 3.09Å; A85-E89 PolarHBondContact O-N 3.43Å
86	K	86.6	Confident	80	Confident	131 Å²	131	90.3 Å²	90.3	57%	0.57	48%	0.478	S	S	*	.	H	α-helix	trans	-65.3	-37.7	177.1	-166.6	170.2	-174.5	172.5	0	113	G82 L83 I84 Q88 E89 H90	G82-K86 PolarHBondContact O-N 3.25Å; G82-K86 VanDerWaalsContact O-N 3.11Å; L83-K86 PolarHBondContact O-N 3.46Å; I84-K86 VanDerWaalsContact C-N 3.34Å; I84-K86 PolarHBondContact O-N 3.05Å; K86-Q88 VanDerWaalsContact C-N 3.28Å; K86-E89 PolarHBondContact O-N 3.3Å; K86-H90 PolarHBondContact O-ND1 2.81Å
87	I	87.4	Confident	80.2	Confident	35 Å²	35	82.5 Å²	82.5	18%	0.179	46%	0.46	C	S	.	.	H	α-helix	trans	-63.1	-40.9	171.8	-68.5	162.9	0	0	0	109.8	L83 I84 A85 E89 H90 L91 V108 F109	L83-I87 VanDerWaalsContact O-CG1 3.31Å; L83-I87 WeakPolarHBondContact O-CG1 3.13Å; L83-I87 PolarHBondContact O-N 2.86Å; I84-I87 PolarHBondContact O-N 3.1Å; A85-I87 PolarHBondContact O-N 3.46Å; I87-E89 VanDerWaalsContact C-N 3.32Å; I87-E89 PolarHBondContact O-N 2.96Å; I87-H90 PolarHBondContact O-N 3.44Å; I87-L91 PolarHBondContact O-N 3.12Å; I87-V108 HydrophobicContact CD1-CG1 4.38Å; I87-V108 HydrophobicContact CG2-CB 4.31Å; I87-V108 HydrophobicContact CG2-CG1 4.13Å; I87-F109 HydrophobicContact CD1-CB 3.9Å; I87-F109 HydrophobicContact CD1-CD2 4.37Å
88	Q	85	Confident	80.2	Confident	51 Å²	51	84.4 Å²	84.4	24%	0.238	47%	0.469	C	S	.	.	H	α-helix	trans	-58.9	-42.7	178.7	-163.3	179.5	-24.6	0	0	112.6	I84 A85 K86 H90 L91 Q101 S105	I84-Q88 PolarHBondContact O-N 3.32Å; A85-Q88 WeakPolarHBondContact O-CA 3.44Å; A85-Q88 WeakPolarHBondContact O-CB 3.28Å; A85-Q88 PolarHBondContact O-N 3.02Å; A85-Q88 VanDerWaalsContact O-N 3.09Å; K86-Q88 VanDerWaalsContact C-N 3.28Å; Q88-H90 VanDerWaalsContact C-N 3.26Å; Q88-H90 PolarHBondContact O-N 3.2Å; Q88-L91 PolarHBondContact O-N 3.17Å; Q88-Q101 HydrophobicContact CG-CB 3.82Å; Q88-S105 WeakPolarHBondContact CA-OG 3.49Å; Q88-S105 WeakPolarHBondContact CB-OG 3.36Å; Q88-S105 PolarHBondContact N-OG 2.63Å
89	E	85.4	Confident	80.4	Confident	151 Å²	151	88 Å²	88	71%	0.706	48%	0.484	S	S	*	.	H	α-helix	trans	-64.1	-27.3	178.7	-70.9	170.3	-178.2	0	0	113.7	A85 K86 I87	A85-E89 PolarHBondContact O-N 3.43Å; K86-E89 PolarHBondContact O-N 3.3Å; I87-E89 VanDerWaalsContact C-N 3.32Å; I87-E89 PolarHBondContact O-N 2.96Å
90	H	84.8	Confident	80.6	Confident	139 Å²	139	87.6 Å²	87.6	64%	0.644	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	5.4	-174.7	-64	75.7	0	0	0	113.2	K86 I87 Q88 P92	K86-H90 PolarHBondContact O-ND1 2.81Å; I87-H90 PolarHBondContact O-N 3.44Å; Q88-H90 VanDerWaalsContact C-N 3.26Å; Q88-H90 PolarHBondContact O-N 3.2Å; H90-P92 WeakPolarHBondContact O-CD 3.34Å
91	L	82.8	Confident	80.7	Confident	41 Å²	41	89.4 Å²	89.4	22%	0.215	49%	0.49	C	S	.	.			trans	-72.1	121.3	176.6	-90.8	165	0	0	0	110.2	I87 Q88 V93 V104 S105	I87-L91 PolarHBondContact O-N 3.12Å; Q88-L91 PolarHBondContact O-N 3.17Å; L91-V93 PolarHBondContact O-N 2.8Å; L91-V104 HydrophobicContact CD1-CG1 4.13Å; L91-V104 HydrophobicContact CD2-CG1 4.22Å; L91-S105 WeakPolarHBondContact CD1-OG 3.01Å
92	P	71	Confident	80.7	Confident	126 Å²	126	82 Å²	82	82%	0.818	46%	0.457	S	S	*	.			trans	-80.8	62.7	-175.1	33.9	-36.2	0	0	0	111.6	H90	H90-P92 WeakPolarHBondContact O-CD 3.34Å
93	V	72.1	Confident	80.9	Confident	56 Å²	56	83.6 Å²	83.6	34%	0.339	46%	0.459	S	S	.	.			trans	-137.7	105.1	-176.9	-155.5	0	0	0	0	112.5	L91 Q95 M96	L91-V93 PolarHBondContact O-N 2.8Å; V93-Q95 VanDerWaalsContact C-N 3.32Å; V93-Q95 PolarHBondContact O-N 3.41Å; V93-M96 HydrophobicContact CB-CG 4.1Å; V93-M96 HydrophobicContact CB-SD 3.71Å; V93-M96 HydrophobicContact CG1-CB 4.27Å; V93-M96 HydrophobicContact CG1-CG 3.53Å; V93-M96 HydrophobicContact CG1-SD 3.55Å; V93-M96 VanDerWaalsContact CG1-SD 3.55Å; V93-M96 HydrophobicContact CG2-SD 3.76Å
94	S	59.2	Low	81	Confident	125 Å²	125	81.8 Å²	81.8	87%	0.874	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-4.5	-178.7	53.9	0	0	0	0	114.9
95	Q	68.1	Low	81.2	Confident	184 Å²	184	81.4 Å²	81.4	86%	0.86	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.2	9.3	-172	-66.4	-176.1	-13.3	0	0	115	V93	V93-Q95 VanDerWaalsContact C-N 3.32Å; V93-Q95 PolarHBondContact O-N 3.41Å
96	M	77.4	Confident	81.4	Confident	54 Å²	54	79.2 Å²	79.2	27%	0.266	43%	0.431	S	S	.	.			trans	-97.8	141.7	-178.9	-75.8	175.3	73.4	0	0	112.7	V93 C100 Q101 V104	V93-M96 HydrophobicContact CB-CG 4.1Å; V93-M96 HydrophobicContact CB-SD 3.71Å; V93-M96 HydrophobicContact CG1-CB 4.27Å; V93-M96 HydrophobicContact CG1-CG 3.53Å; V93-M96 HydrophobicContact CG1-SD 3.55Å; V93-M96 VanDerWaalsContact CG1-SD 3.55Å; V93-M96 HydrophobicContact CG2-SD 3.76Å; M96-C100 HydrophobicContact CE-CB 3.97Å; M96-C100 WeakPolarHBondContact CE-SG 3.29Å; M96-Q101 HydrophobicContact CB-CG 3.74Å; M96-V104 HydrophobicContact CE-CB 4.11Å; M96-V104 HydrophobicContact CE-CG2 3.53Å
97	S	82.9	Confident	81.7	Confident	74 Å²	74	75.1 Å²	75.1	52%	0.517	42%	0.417	S	S	.	.			trans	-66.3	152.3	170.7	70.6	0	0	0	0	111.4	Q99 C100 Q101	S97-Q99 PolarHBondContact O-N 3.45Å; S97-C100 WeakPolarHBondContact O-CA 3.14Å; S97-C100 WeakPolarHBondContact O-CB 3.42Å; S97-C100 PolarHBondContact O-N 3.06Å; S97-C100 WeakPolarHBondContact OG-CB 3.37Å; S97-C100 PolarHBondContact OG-N 3.03Å; S97-Q101 WeakPolarHBondContact O-CG 3.35Å; S97-Q101 PolarHBondContact O-N 3.33Å
98	T	79.3	Confident	81.9	Confident	108 Å²	108	76 Å²	76	66%	0.663	42%	0.424	S	S	*	.	H	α-helix	trans	-56.4	-37.2	179.2	49.2	0	0	0	0	112.7	Q101 A102	T98-Q101 PolarHBondContact O-N 2.96Å; T98-A102 WeakPolarHBondContact O-CB 3.37Å; T98-A102 PolarHBondContact O-N 3.22Å
99	Q	81.1	Confident	82.3	Confident	153 Å²	153	74.8 Å²	74.8	72%	0.715	42%	0.418	S	S	*	.	H	α-helix	trans	-66.8	-40.9	175.1	-171	176.9	4.5	0	0	112	S97 A102 V103	S97-Q99 PolarHBondContact O-N 3.45Å; Q99-A102 PolarHBondContact O-N 2.97Å; Q99-V103 WeakPolarHBondContact O-CG2 3.29Å; Q99-V103 PolarHBondContact O-N 3.26Å; Q99-V103 VanDerWaalsContact O-N 3.09Å
100	C	83	Confident	82.6	Confident	57 Å²	57	67.6 Å²	67.6	39%	0.385	39%	0.385	S	S	.	.	H	α-helix	trans	-67.2	-40.8	176.8	-164.5	0	0	0	0	111.2	M96 S97 A102 V103 V104	M96-C100 HydrophobicContact CE-CB 3.97Å; M96-C100 WeakPolarHBondContact CE-SG 3.29Å; S97-C100 WeakPolarHBondContact O-CA 3.14Å; S97-C100 WeakPolarHBondContact O-CB 3.42Å; S97-C100 PolarHBondContact O-N 3.06Å; S97-C100 WeakPolarHBondContact OG-CB 3.37Å; S97-C100 PolarHBondContact OG-N 3.03Å; C100-A102 PolarHBondContact O-N 3.28Å; C100-V103 PolarHBondContact O-N 3Å; C100-V104 WeakPolarHBondContact O-CG2 3.31Å; C100-V104 PolarHBondContact O-N 3.44Å
101	Q	83.3	Confident	83	Confident	40 Å²	40	63 Å²	63	19%	0.187	37%	0.366	C	S	.	.	H	α-helix	trans	-61.2	-42	174.3	-69.2	177.7	-15.8	0	0	112	Q88 M96 S97 T98 V104 S105	Q88-Q101 HydrophobicContact CG-CB 3.82Å; M96-Q101 HydrophobicContact CB-CG 3.74Å; S97-Q101 WeakPolarHBondContact O-CG 3.35Å; S97-Q101 PolarHBondContact O-N 3.33Å; T98-Q101 PolarHBondContact O-N 2.96Å; Q101-V104 PolarHBondContact O-N 3.07Å; Q101-S105 VanDerWaalsContact O-CB 3.3Å; Q101-S105 WeakPolarHBondContact O-CB 3.22Å; Q101-S105 PolarHBondContact O-N 2.7Å; Q101-S105 PolarHBondContact O-OG 3.16Å
102	A	84.4	Confident	83.5	Confident	21 Å²	21	66.8 Å²	66.8	17%	0.174	39%	0.385	C	S	.	.	H	α-helix	trans	-63.5	-44.4	176.8	0	0	0	0	0	112.1	M73 T98 Q99 C100 S105 A106	M73-A102 HydrophobicContact CE-CB 4.2Å; T98-A102 WeakPolarHBondContact O-CB 3.37Å; T98-A102 PolarHBondContact O-N 3.22Å; Q99-A102 PolarHBondContact O-N 2.97Å; C100-A102 PolarHBondContact O-N 3.28Å; A102-S105 PolarHBondContact O-N 2.78Å; A102-A106 WeakPolarHBondContact O-CB 3.39Å; A102-A106 PolarHBondContact O-N 3.19Å
103	V	88.3	Confident	84.6	Confident	66 Å²	66	63.5 Å²	63.5	40%	0.4	36%	0.36	S	S	.	.	H	α-helix	trans	-63.9	-45.5	176.9	172.7	0	0	0	0	111.3	L70 Q99 C100 S105 A106 V107	L70-V103 HydrophobicContact CD2-CG1 4.41Å; Q99-V103 WeakPolarHBondContact O-CG2 3.29Å; Q99-V103 PolarHBondContact O-N 3.26Å; Q99-V103 VanDerWaalsContact O-N 3.09Å; C100-V103 PolarHBondContact O-N 3Å; V103-S105 PolarHBondContact O-N 3.27Å; V103-A106 WeakPolarHBondContact O-CB 3.41Å; V103-A106 PolarHBondContact O-N 3.38Å; V103-V107 WeakPolarHBondContact O-CG2 3.3Å; V103-V107 PolarHBondContact O-N 3.41Å
104	V	88.7	Confident	85.6	Confident	51 Å²	51	62.1 Å²	62.1	31%	0.309	35%	0.348	S	S	.	.	H	α-helix	trans	-63	-43.3	177.7	169.8	0	0	0	0	111	L91 M96 C100 Q101 A106 V107 V108	L91-V104 HydrophobicContact CD1-CG1 4.13Å; L91-V104 HydrophobicContact CD2-CG1 4.22Å; M96-V104 HydrophobicContact CE-CB 4.11Å; M96-V104 HydrophobicContact CE-CG2 3.53Å; C100-V104 WeakPolarHBondContact O-CG2 3.31Å; C100-V104 PolarHBondContact O-N 3.44Å; Q101-V104 PolarHBondContact O-N 3.07Å; V104-A106 VanDerWaalsContact C-N 3.3Å; V104-A106 PolarHBondContact O-N 3.49Å; V104-V107 PolarHBondContact O-N 3.14Å; V104-V108 HydrophobicContact CG1-CG2 4.38Å; V104-V108 WeakPolarHBondContact O-CG2 3.4Å; V104-V108 PolarHBondContact O-N 3.47Å
105	S	89.3	Confident	87.2	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60.5	-41	176.3	-56.3	0	0	0	0	111.8	I84 Q88 L91 Q101 A102 V103 V108 F109	I84-S105 WeakPolarHBondContact O-CB 3.47Å; Q88-S105 WeakPolarHBondContact CA-OG 3.49Å; Q88-S105 WeakPolarHBondContact CB-OG 3.36Å; Q88-S105 PolarHBondContact N-OG 2.63Å; L91-S105 WeakPolarHBondContact CD1-OG 3.01Å; Q101-S105 VanDerWaalsContact O-CB 3.3Å; Q101-S105 WeakPolarHBondContact O-CB 3.22Å; Q101-S105 PolarHBondContact O-N 2.7Å; Q101-S105 PolarHBondContact O-OG 3.16Å; A102-S105 PolarHBondContact O-N 2.78Å; V103-S105 PolarHBondContact O-N 3.27Å; S105-V108 PolarHBondContact O-N 2.66Å; S105-F109 WeakPolarHBondContact O-CB 3.3Å; S105-F109 PolarHBondContact O-N 3.09Å
106	A	89.8	Confident	88.4	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.7	-41.5	175.3	0	0	0	0	0	112.5	I69 L70 M73 A102 V103 V104 S110	I69-A106 HydrophobicContact CG2-CB 4.33Å; L70-A106 HydrophobicContact CD2-CB 3.8Å; M73-A106 HydrophobicContact CE-CB 4.29Å; M73-A106 HydrophobicContact SD-CB 3.33Å; M73-A106 WeakPolarHBondContact SD-CB 3.4Å; A102-A106 WeakPolarHBondContact O-CB 3.39Å; A102-A106 PolarHBondContact O-N 3.19Å; V103-A106 WeakPolarHBondContact O-CB 3.41Å; V103-A106 PolarHBondContact O-N 3.38Å; V104-A106 VanDerWaalsContact C-N 3.3Å; V104-A106 PolarHBondContact O-N 3.49Å; A106-S110 WeakPolarHBondContact O-CB 3.22Å; A106-S110 PolarHBondContact O-N 3Å; A106-S110 PolarHBondContact O-OG 3.16Å
107	V	91.8	Very high	89.1	Confident	45 Å²	45	58.1 Å²	58.1	27%	0.273	32%	0.323	S	S	.	.	H	α-helix	trans	-66.8	-42	176.4	171.8	0	0	0	0	111.1	W62 V66 V103 V104 S110 T111	W62-V107 HydrophobicContact CZ2-CG1 4.23Å; V66-V107 HydrophobicContact CG1-CG2 4.13Å; V103-V107 WeakPolarHBondContact O-CG2 3.3Å; V103-V107 PolarHBondContact O-N 3.41Å; V104-V107 PolarHBondContact O-N 3.14Å; V107-S110 PolarHBondContact O-N 2.82Å; V107-T111 WeakPolarHBondContact O-CB 3.48Å; V107-T111 PolarHBondContact O-N 3.29Å; V107-T111 PolarHBondContact O-OG1 2.88Å
108	V	91.4	Very high	89.5	Confident	54 Å²	54	54.9 Å²	54.9	33%	0.327	30%	0.3	S	S	.	.	H	α-helix	trans	-61.4	-51.1	175.3	171.4	0	0	0	0	110.1	I87 V104 S105 S110 T111 M112	I87-V108 HydrophobicContact CD1-CG1 4.38Å; I87-V108 HydrophobicContact CG2-CB 4.31Å; I87-V108 HydrophobicContact CG2-CG1 4.13Å; V104-V108 HydrophobicContact CG1-CG2 4.38Å; V104-V108 WeakPolarHBondContact O-CG2 3.4Å; V104-V108 PolarHBondContact O-N 3.47Å; S105-V108 PolarHBondContact O-N 2.66Å; V108-S110 PolarHBondContact O-N 2.97Å; V108-T111 PolarHBondContact O-N 3.42Å; V108-M112 HydrophobicContact CG1-SD 4.37Å; V108-M112 WeakPolarHBondContact O-CG 3.48Å; V108-M112 PolarHBondContact O-N 2.78Å
109	F	93.3	Very high	90.1	Very high	26 Å²	26	55.5 Å²	55.5	11%	0.114	29%	0.293	C	S	.	.	H	α-helix	trans	-57.4	-48.9	176.3	176.8	-99.3	0	0	0	111.9	I69 L83 I84 I87 S105 T111 M112 L113	I69-F109 HydrophobicContact CD1-CD1 4.41Å; I69-F109 HydrophobicContact CD1-CE1 4.03Å; I69-F109 HydrophobicContact CG2-CD1 4.38Å; L83-F109 HydrophobicContact CB-CD2 4.01Å; L83-F109 HydrophobicContact CB-CE2 3.91Å; L83-F109 HydrophobicContact CD1-CE2 4.06Å; I84-F109 HydrophobicContact CD1-CB 4.39Å; I84-F109 HydrophobicContact CD1-CD1 3.92Å; I84-F109 HydrophobicContact CD1-CG 4.23Å; I84-F109 HydrophobicContact CG1-CB 3.65Å; I84-F109 HydrophobicContact CG1-CD1 3.91Å; I84-F109 HydrophobicContact CG1-CD2 4.33Å; I84-F109 HydrophobicContact CG1-CG 3.69Å; I87-F109 HydrophobicContact CD1-CB 3.9Å; I87-F109 HydrophobicContact CD1-CD2 4.37Å; S105-F109 WeakPolarHBondContact O-CB 3.3Å; S105-F109 PolarHBondContact O-N 3.09Å; F109-T111 VanDerWaalsContact C-N 3.25Å; F109-T111 PolarHBondContact O-N 3.02Å; F109-M112 PolarHBondContact O-N 2.95Å; F109-L113 HydrophobicContact CE1-CD2 4.14Å; F109-L113 WeakPolarHBondContact O-CB 3.32Å; F109-L113 PolarHBondContact O-N 3.43Å
110	S	93.5	Very high	90.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.6	-38.6	178.3	-61.9	0	0	0	0	112	I69 A106 V107 V108 W114	I69-S110 VanDerWaalsContact CB-OG 3.31Å; I69-S110 WeakPolarHBondContact CB-OG 3.3Å; I69-S110 WeakPolarHBondContact CG1-OG 3.39Å; A106-S110 WeakPolarHBondContact O-CB 3.22Å; A106-S110 PolarHBondContact O-N 3Å; A106-S110 PolarHBondContact O-OG 3.16Å; V107-S110 PolarHBondContact O-N 2.82Å; V108-S110 PolarHBondContact O-N 2.97Å; S110-W114 VanDerWaalsContact O-CB 3.23Å; S110-W114 WeakPolarHBondContact O-CB 3.46Å; S110-W114 PolarHBondContact O-N 3.19Å
111	T	93	Very high	91.1	Very high	42 Å²	42	51.5 Å²	51.5	26%	0.258	27%	0.274	S	S	.	.	H	α-helix	trans	-69.1	-44.1	177.7	-56.8	0	0	0	0	111.1	W62 V107 V108 F109 W114 L115	W62-T111 PolarHBondContact NE1-OG1 2.9Å; V107-T111 WeakPolarHBondContact O-CB 3.48Å; V107-T111 PolarHBondContact O-N 3.29Å; V107-T111 PolarHBondContact O-OG1 2.88Å; V108-T111 PolarHBondContact O-N 3.42Å; F109-T111 VanDerWaalsContact C-N 3.25Å; F109-T111 PolarHBondContact O-N 3.02Å; T111-W114 PolarHBondContact O-N 3.37Å; T111-L115 HydrophobicContact CG2-CD1 4.33Å; T111-L115 VanDerWaalsContact O-CG 3.31Å; T111-L115 WeakPolarHBondContact O-CG 3.35Å; T111-L115 PolarHBondContact O-N 3.48Å
112	M	93	Very high	91.5	Very high	121 Å²	121	52.2 Å²	52.2	60%	0.596	28%	0.275	S	S	*	.	H	α-helix	trans	-61.9	-44.6	174.7	-68.2	-176	78.2	0	0	111.7	V108 F109 L115 L116	V108-M112 HydrophobicContact CG1-SD 4.37Å; V108-M112 WeakPolarHBondContact O-CG 3.48Å; V108-M112 PolarHBondContact O-N 2.78Å; F109-M112 PolarHBondContact O-N 2.95Å; M112-L115 PolarHBondContact O-N 3.44Å; M112-L116 WeakPolarHBondContact O-CB 3.38Å; M112-L116 PolarHBondContact O-N 2.77Å
113	L	93.4	Very high	91.9	Very high	57 Å²	57	54.8 Å²	54.8	30%	0.298	29%	0.286	S	S	.	.	H	α-helix	trans	-60.7	-45.5	175.8	179.4	61.6	0	0	0	111.3	V65 I69 F109 L116 L117	V65-L113 HydrophobicContact CG1-CD2 4.19Å; I69-L113 HydrophobicContact CD1-CD2 4.33Å; F109-L113 HydrophobicContact CE1-CD2 4.14Å; F109-L113 WeakPolarHBondContact O-CB 3.32Å; F109-L113 PolarHBondContact O-N 3.43Å; L113-L116 PolarHBondContact O-N 3.11Å; L113-L117 HydrophobicContact CG-CD1 4.28Å; L113-L117 VanDerWaalsContact O-CG 3.31Å; L113-L117 WeakPolarHBondContact O-CG 3.48Å; L113-L117 PolarHBondContact O-N 2.8Å
114	W	94.3	Very high	92.2	Very high	26 Å²	26	53.9 Å²	53.9	10%	0.098	28%	0.282	C	S	.	.	H	α-helix	trans	-62.8	-42.8	177.6	176.7	73.1	0	0	0	112.5	V54 S61 W62 V65 S110 T111 L117 I118	V54-W114 HydrophobicContact CB-CH2 4.04Å; V54-W114 HydrophobicContact CB-CZ2 4.06Å; V54-W114 HydrophobicContact CG1-CH2 3.49Å; V54-W114 VanDerWaalsContact CG1-CH2 3.49Å; V54-W114 HydrophobicContact CG1-CZ2 4.04Å; V54-W114 HydrophobicContact CG1-CZ3 4.22Å; V54-W114 HydrophobicContact CG2-CZ2 4.39Å; S61-W114 PolarHBondContact OG-NE1 2.76Å; W62-W114 HydrophobicContact CB-CD2 3.73Å; W62-W114 HydrophobicContact CB-CE3 4.13Å; W62-W114 HydrophobicContact CB-CG 4.14Å; W62-W114 HydrophobicContact CB-CH2 4.12Å; W62-W114 HydrophobicContact CB-CZ2 3.78Å; W62-W114 HydrophobicContact CB-CZ3 4.31Å; W62-W114 AromaticContact CD1-CD2 3.9Å; W62-W114 AromaticContact CD1-CE3 3.73Å; W62-W114 HydrophobicContact CG-CD2 4.22Å; W62-W114 HydrophobicContact CG-CE3 4.25Å; W62-W114 HydrophobicContact CG-CZ3 4.49Å; V65-W114 HydrophobicContact CG2-CB 4.47Å; S110-W114 VanDerWaalsContact O-CB 3.23Å; S110-W114 WeakPolarHBondContact O-CB 3.46Å; S110-W114 PolarHBondContact O-N 3.19Å; T111-W114 PolarHBondContact O-N 3.37Å; W114-L117 PolarHBondContact O-N 3.49Å; W114-I118 HydrophobicContact CD2-CD1 3.59Å; W114-I118 HydrophobicContact CE3-CD1 3.93Å; W114-I118 HydrophobicContact CG-CD1 4.25Å; W114-I118 HydrophobicContact CH2-CD1 3.88Å; W114-I118 HydrophobicContact CZ2-CD1 3.47Å; W114-I118 VanDerWaalsContact CZ2-CD1 3.47Å; W114-I118 HydrophobicContact CZ3-CD1 4.07Å; W114-I118 WeakPolarHBondContact O-CG1 3.19Å; W114-I118 PolarHBondContact O-N 3.13Å
115	L	92.7	Very high	92.5	Very high	92 Å²	92	51.5 Å²	51.5	48%	0.482	27%	0.267	S	S	.	.	H	α-helix	trans	-63.5	-40.6	174.6	-70.9	174	0	0	0	111.9	T111 M112 I118 F119	T111-L115 HydrophobicContact CG2-CD1 4.33Å; T111-L115 VanDerWaalsContact O-CG 3.31Å; T111-L115 WeakPolarHBondContact O-CG 3.35Å; T111-L115 PolarHBondContact O-N 3.48Å; M112-L115 PolarHBondContact O-N 3.44Å; L115-I118 PolarHBondContact O-N 2.87Å; L115-F119 WeakPolarHBondContact O-CB 3.24Å; L115-F119 PolarHBondContact O-N 2.81Å
116	L	93	Very high	92.8	Very high	103 Å²	103	54.1 Å²	54.1	54%	0.539	28%	0.278	S	S	.	.	H	α-helix	trans	-63	-42.7	174.9	-178.7	64.4	0	0	0	111.7	M112 L113 F119 T120	M112-L116 WeakPolarHBondContact O-CB 3.38Å; M112-L116 PolarHBondContact O-N 2.77Å; L113-L116 PolarHBondContact O-N 3.11Å; L116-F119 PolarHBondContact O-N 2.86Å; L116-T120 WeakPolarHBondContact O-CB 3.3Å; L116-T120 PolarHBondContact O-N 2.89Å; L116-T120 PolarHBondContact O-OG1 2.86Å
117	L	91.7	Very high	93.1	Very high	84 Å²	84	60.4 Å²	60.4	44%	0.44	31%	0.308	S	S	.	.	H	α-helix	trans	-61.3	-45.3	174.6	-73.1	170.3	0	0	0	111.4	L113 W114 T120 M121	L113-L117 HydrophobicContact CG-CD1 4.28Å; L113-L117 VanDerWaalsContact O-CG 3.31Å; L113-L117 WeakPolarHBondContact O-CG 3.48Å; L113-L117 PolarHBondContact O-N 2.8Å; W114-L117 PolarHBondContact O-N 3.49Å; L117-T120 PolarHBondContact O-N 3.4Å; L117-M121 WeakPolarHBondContact O-CB 3.39Å; L117-M121 VanDerWaalsContact O-CG 3.32Å; L117-M121 WeakPolarHBondContact O-CG 3.42Å; L117-M121 PolarHBondContact O-N 3.4Å
118	I	91.5	Very high	93.2	Very high	7 Å²	7	59.6 Å²	59.6	4%	0.036	30%	0.302	C	S	.	.	H	α-helix	trans	-59.9	-49.3	175.7	-72.6	164	0	0	0	111	V54 A57 W114 L115 T120 M121 R122	V54-I118 HydrophobicContact CB-CD1 3.75Å; V54-I118 HydrophobicContact CG1-CD1 4.11Å; A57-I118 HydrophobicContact CB-CD1 4.17Å; A57-I118 HydrophobicContact CB-CG1 3.61Å; W114-I118 HydrophobicContact CD2-CD1 3.59Å; W114-I118 HydrophobicContact CE3-CD1 3.93Å; W114-I118 HydrophobicContact CG-CD1 4.25Å; W114-I118 HydrophobicContact CH2-CD1 3.88Å; W114-I118 HydrophobicContact CZ2-CD1 3.47Å; W114-I118 VanDerWaalsContact CZ2-CD1 3.47Å; W114-I118 HydrophobicContact CZ3-CD1 4.07Å; W114-I118 WeakPolarHBondContact O-CG1 3.19Å; W114-I118 PolarHBondContact O-N 3.13Å; L115-I118 PolarHBondContact O-N 2.87Å; I118-T120 VanDerWaalsContact C-N 3.26Å; I118-T120 PolarHBondContact O-N 3.13Å; I118-M121 PolarHBondContact O-N 3.44Å; I118-R122 HydrophobicContact CG2-CG 4.4Å; I118-R122 WeakPolarHBondContact O-CB 3.36Å; I118-R122 VanDerWaalsContact O-CG 3.31Å; I118-R122 WeakPolarHBondContact O-CG 3.4Å; I118-R122 PolarHBondContact O-N 2.97Å
119	F	91.3	Very high	93.5	Very high	121 Å²	121	57.4 Å²	57.4	53%	0.531	29%	0.288	S	S	.	.	H	α-helix	trans	-56.9	-44.5	178.3	178.4	-104.3	0	0	0	110.9	L115 L116 R122 L123	L115-F119 WeakPolarHBondContact O-CB 3.24Å; L115-F119 PolarHBondContact O-N 2.81Å; L116-F119 PolarHBondContact O-N 2.86Å; F119-R122 WeakPolarHBondContact O-CB 3.46Å; F119-R122 PolarHBondContact O-N 2.89Å; F119-L123 HydrophobicContact CD1-CD1 3.9Å; F119-L123 HydrophobicContact CD1-CG 4.49Å; F119-L123 HydrophobicContact CE1-CD1 3.31Å; F119-L123 HydrophobicContact CE1-CG 4.16Å; F119-L123 HydrophobicContact CE2-CD1 4.31Å; F119-L123 HydrophobicContact CE2-CG 4.4Å; F119-L123 HydrophobicContact CZ-CD1 3.55Å; F119-L123 HydrophobicContact CZ-CD2 4.41Å; F119-L123 HydrophobicContact CZ-CG 4.11Å; F119-L123 WeakPolarHBondContact O-CG 3.33Å; F119-L123 PolarHBondContact O-N 3.31Å
120	T	92.8	Very high	93.5	Very high	65 Å²	65	58.4 Å²	58.4	40%	0.399	30%	0.299	S	S	.	.	H	α-helix	trans	-64	-48.2	177.4	-55.1	0	0	0	0	111.5	L116 L117 I118 R122 L123 C124	L116-T120 WeakPolarHBondContact O-CB 3.3Å; L116-T120 PolarHBondContact O-N 2.89Å; L116-T120 PolarHBondContact O-OG1 2.86Å; L117-T120 PolarHBondContact O-N 3.4Å; I118-T120 VanDerWaalsContact C-N 3.26Å; I118-T120 PolarHBondContact O-N 3.13Å; T120-R122 VanDerWaalsContact C-N 3.28Å; T120-R122 PolarHBondContact O-N 3.16Å; T120-L123 PolarHBondContact O-N 3.27Å; T120-C124 WeakPolarHBondContact O-CB 3.4Å; T120-C124 PolarHBondContact O-N 2.82Å; T120-C124 PolarHBondContact O-SG 2.86Å
121	M	92.1	Very high	93.6	Very high	60 Å²	60	61.1 Å²	61.1	30%	0.296	31%	0.309	S	S	.	.	H	α-helix	trans	-59.3	-38.8	176.5	-72.8	-177.7	78.8	0	0	112.4	P56 L117 I118 C124 L125 F156	P56-M121 HydrophobicContact CB-CE 4.39Å; P56-M121 HydrophobicContact CG-CB 3.77Å; P56-M121 HydrophobicContact CG-CE 3.86Å; P56-M121 HydrophobicContact CG-SD 4.46Å; L117-M121 WeakPolarHBondContact O-CB 3.39Å; L117-M121 VanDerWaalsContact O-CG 3.32Å; L117-M121 WeakPolarHBondContact O-CG 3.42Å; L117-M121 PolarHBondContact O-N 3.4Å; I118-M121 PolarHBondContact O-N 3.44Å; M121-C124 PolarHBondContact O-N 3.11Å; M121-L125 WeakPolarHBondContact O-CB 3.33Å; M121-L125 PolarHBondContact O-N 2.94Å; M121-F156 HydrophobicContact CG-CE1 4.47Å
122	R	92.1	Very high	93.5	Very high	56 Å²	56	60.4 Å²	60.4	21%	0.211	30%	0.303	C	S	.	.	H	α-helix	trans	-65.5	-45.3	175.6	-76.1	173.6	174.9	-158.1	-22.8	112.2	S52 G53 Y55 I118 F119 T120 C124 L125 K126	S52-R122 PolarHBondContact O-NH2 3.38Å; G53-R122 PolarHBondContact O-NH1 3.18Å; G53-R122 PolarHBondContact O-NH2 3.22Å; Y55-R122 VanDerWaalsContact O-CZ 3.28Å; Y55-R122 PolarHBondContact O-NE 3.17Å; Y55-R122 PolarHBondContact O-NH2 3.1Å; I118-R122 HydrophobicContact CG2-CG 4.4Å; I118-R122 WeakPolarHBondContact O-CB 3.36Å; I118-R122 VanDerWaalsContact O-CG 3.31Å; I118-R122 WeakPolarHBondContact O-CG 3.4Å; I118-R122 PolarHBondContact O-N 2.97Å; F119-R122 WeakPolarHBondContact O-CB 3.46Å; F119-R122 PolarHBondContact O-N 2.89Å; T120-R122 VanDerWaalsContact C-N 3.28Å; T120-R122 PolarHBondContact O-N 3.16Å; R122-C124 VanDerWaalsContact C-N 3.34Å; R122-L125 PolarHBondContact O-N 3.43Å; R122-K126 VanDerWaalsContact O-CB 3.3Å; R122-K126 WeakPolarHBondContact O-CB 3.3Å; R122-K126 PolarHBondContact O-N 2.94Å
123	L	92.7	Very high	93.4	Very high	75 Å²	75	63.6 Å²	63.6	39%	0.393	31%	0.308	S	S	.	.	H	α-helix	trans	-62.1	-44.3	175.5	-72.6	-178.2	0	0	0	110.7	F119 T120 L125 K126 Q127	F119-L123 HydrophobicContact CD1-CD1 3.9Å; F119-L123 HydrophobicContact CD1-CG 4.49Å; F119-L123 HydrophobicContact CE1-CD1 3.31Å; F119-L123 HydrophobicContact CE1-CG 4.16Å; F119-L123 HydrophobicContact CE2-CD1 4.31Å; F119-L123 HydrophobicContact CE2-CG 4.4Å; F119-L123 HydrophobicContact CZ-CD1 3.55Å; F119-L123 HydrophobicContact CZ-CD2 4.41Å; F119-L123 HydrophobicContact CZ-CG 4.11Å; F119-L123 WeakPolarHBondContact O-CG 3.33Å; F119-L123 PolarHBondContact O-N 3.31Å; T120-L123 PolarHBondContact O-N 3.27Å; L123-L125 PolarHBondContact O-N 3.31Å; L123-K126 PolarHBondContact O-N 2.86Å; L123-Q127 VanDerWaalsContact O-CG 3.31Å; L123-Q127 WeakPolarHBondContact O-CG 3.44Å; L123-Q127 PolarHBondContact O-N 2.69Å
124	C	94.8	Very high	93.3	Very high	47 Å²	47	62.8 Å²	62.8	32%	0.318	30%	0.301	S	S	.	.	H	α-helix	trans	-57.7	-49.6	174.2	-69.2	0	0	0	0	111.4	T120 M121 R122 K126 Q127 L128 F156	T120-C124 WeakPolarHBondContact O-CB 3.4Å; T120-C124 PolarHBondContact O-N 2.82Å; T120-C124 PolarHBondContact O-SG 2.86Å; M121-C124 PolarHBondContact O-N 3.11Å; R122-C124 VanDerWaalsContact C-N 3.34Å; C124-K126 VanDerWaalsContact C-N 3.32Å; C124-K126 PolarHBondContact O-N 3.01Å; C124-Q127 PolarHBondContact O-N 3.28Å; C124-L128 WeakPolarHBondContact O-CB 3.37Å; C124-L128 VanDerWaalsContact O-CG 3.26Å; C124-L128 WeakPolarHBondContact O-CG 3.49Å; C124-L128 PolarHBondContact O-N 2.83Å; C124-F156 HydrophobicContact CB-CD1 3.85Å; C124-F156 HydrophobicContact CB-CE1 3.61Å; C124-F156 HydrophobicContact CB-CZ 4.29Å
125	L	94.9	Very high	93.1	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.2	-40.1	177.4	-175.5	58	0	0	0	111.6	M121 R122 L123 L128 L129 F156 Y166	M121-L125 WeakPolarHBondContact O-CB 3.33Å; M121-L125 PolarHBondContact O-N 2.94Å; R122-L125 PolarHBondContact O-N 3.43Å; L123-L125 PolarHBondContact O-N 3.31Å; L125-L128 PolarHBondContact O-N 3.01Å; L125-L129 HydrophobicContact CD1-CD1 4.13Å; L125-L129 HydrophobicContact CD1-CG 4.07Å; L125-L129 HydrophobicContact CG-CD1 3.96Å; L125-L129 HydrophobicContact CG-CG 4.32Å; L125-L129 WeakPolarHBondContact O-CB 3.41Å; L125-L129 VanDerWaalsContact O-CG 3.25Å; L125-L129 WeakPolarHBondContact O-CG 3.33Å; L125-L129 PolarHBondContact O-N 3.42Å; L125-F156 HydrophobicContact CB-CB 4.34Å; L125-F156 HydrophobicContact CD1-CB 4.06Å; L125-Y166 HydrophobicContact CD2-CD1 4.34Å; L125-Y166 HydrophobicContact CD2-CE1 4.5Å
126	K	95.4	Very high	93	Very high	55 Å²	55	62.3 Å²	62.3	24%	0.239	30%	0.297	C	S	.	.	H	α-helix	trans	-62.2	-43.9	175.6	-174.2	174.2	-173.5	172.8	0	112.1	R122 L123 C124 L129 S130 S169 L170 N172	R122-K126 VanDerWaalsContact O-CB 3.3Å; R122-K126 WeakPolarHBondContact O-CB 3.3Å; R122-K126 PolarHBondContact O-N 2.94Å; L123-K126 PolarHBondContact O-N 2.86Å; C124-K126 VanDerWaalsContact C-N 3.32Å; C124-K126 PolarHBondContact O-N 3.01Å; K126-L129 PolarHBondContact O-N 2.92Å; K126-S130 WeakPolarHBondContact O-CB 3.39Å; K126-S130 PolarHBondContact O-N 3.07Å; K126-S130 PolarHBondContact O-OG 2.92Å; K126-S169 WeakPolarHBondContact CA-O 3.26Å; K126-S169 WeakPolarHBondContact CB-O 3.35Å; K126-L170 WeakPolarHBondContact CE-O 3.39Å; K126-N172 PolarHBondContact NZ-OD1 2.91Å
127	Q	95.5	Very high	92.7	Very high	132 Å²	132	59.3 Å²	59.3	62%	0.617	28%	0.28	S	S	*	.	H	α-helix	trans	-65.5	-42	175.9	-68.5	-57.6	-25.1	0	0	111.6	L123 C124 S130	L123-Q127 VanDerWaalsContact O-CG 3.31Å; L123-Q127 WeakPolarHBondContact O-CG 3.44Å; L123-Q127 PolarHBondContact O-N 2.69Å; C124-Q127 PolarHBondContact O-N 3.28Å; Q127-S130 WeakPolarHBondContact O-CB 3.35Å; Q127-S130 PolarHBondContact O-N 3.22Å
128	L	95.9	Very high	91.9	Very high	29 Å²	29	62 Å²	62	15%	0.152	29%	0.29	C	S	.	.	H	α-helix	trans	-60	-47.6	173.8	-70.7	169.4	0	0	0	111	C124 L125 S130 Y131 W149 L152 V153 F156	C124-L128 WeakPolarHBondContact O-CB 3.37Å; C124-L128 VanDerWaalsContact O-CG 3.26Å; C124-L128 WeakPolarHBondContact O-CG 3.49Å; C124-L128 PolarHBondContact O-N 2.83Å; L125-L128 PolarHBondContact O-N 3.01Å; L128-S130 PolarHBondContact O-N 2.84Å; L128-Y131 WeakPolarHBondContact O-CB 3.45Å; L128-Y131 PolarHBondContact O-N 3.25Å; L128-Y131 VanDerWaalsContact O-N 3.14Å; L128-W149 PolarHBondContact O-NE1 3.21Å; L128-L152 HydrophobicContact CD1-CB 4Å; L128-L152 HydrophobicContact CD2-CB 3.92Å; L128-L152 HydrophobicContact CD2-CD1 4.17Å; L128-V153 HydrophobicContact CB-CG2 3.93Å; L128-F156 HydrophobicContact CD1-CB 4.1Å; L128-F156 HydrophobicContact CD1-CD2 3.94Å; L128-F156 HydrophobicContact CD1-CG 4.08Å
129	L	95.7	Very high	90.9	Very high	7 Å²	7	70.7 Å²	70.7	4%	0.037	33%	0.331	C	S	.	.	H	α-helix	trans	-69.5	-17.1	178.7	-66.8	176.6	0	0	0	113.3	L125 K126 Y131 H132 V153 L170 I300 P301	L125-L129 HydrophobicContact CD1-CD1 4.13Å; L125-L129 HydrophobicContact CD1-CG 4.07Å; L125-L129 HydrophobicContact CG-CD1 3.96Å; L125-L129 HydrophobicContact CG-CG 4.32Å; L125-L129 WeakPolarHBondContact O-CB 3.41Å; L125-L129 VanDerWaalsContact O-CG 3.25Å; L125-L129 WeakPolarHBondContact O-CG 3.33Å; L125-L129 PolarHBondContact O-N 3.42Å; K126-L129 PolarHBondContact O-N 2.92Å; L129-Y131 VanDerWaalsContact C-N 3.26Å; L129-Y131 PolarHBondContact O-N 3.34Å; L129-H132 PolarHBondContact O-NE2 3.18Å; L129-V153 HydrophobicContact CD2-CG1 4.32Å; L129-L170 HydrophobicContact CD1-CD2 4.41Å; L129-I300 HydrophobicContact CD2-CD1 4.34Å; L129-I300 HydrophobicContact CD2-CG2 4.25Å; L129-P301 HydrophobicContact CD1-CG 3.97Å; L129-P301 HydrophobicContact CD2-CG 4.23Å
130	S	95.1	Very high	89.8	Confident	48 Å²	48	68.9 Å²	68.9	34%	0.336	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-15.4	173.2	-57.2	0	0	0	0	112.9	K126 Q127 L128 H132 P171	K126-S130 WeakPolarHBondContact O-CB 3.39Å; K126-S130 PolarHBondContact O-N 3.07Å; K126-S130 PolarHBondContact O-OG 2.92Å; Q127-S130 WeakPolarHBondContact O-CB 3.35Å; Q127-S130 PolarHBondContact O-N 3.22Å; L128-S130 PolarHBondContact O-N 2.84Å; S130-H132 PolarHBondContact O-N 2.99Å; S130-H132 PolarHBondContact O-ND1 3.06Å; S130-P171 WeakPolarHBondContact OG-CB 3.47Å
131	Y	93.8	Very high	89.2	Confident	57 Å²	57	73 Å²	73	22%	0.224	36%	0.358	C	S	.	.			trans	-79	114	176.2	177.1	-100.7	0	0	0	110.8	L128 L129 R133 W134 T146 W149	L128-Y131 WeakPolarHBondContact O-CB 3.45Å; L128-Y131 PolarHBondContact O-N 3.25Å; L128-Y131 VanDerWaalsContact O-N 3.14Å; L129-Y131 VanDerWaalsContact C-N 3.26Å; L129-Y131 PolarHBondContact O-N 3.34Å; Y131-R133 HydrophobicContact CD2-CB 4.44Å; Y131-R133 HydrophobicContact CD2-CG 4.44Å; Y131-R133 HydrophobicContact CE1-CB 4.31Å; Y131-R133 HydrophobicContact CE2-CB 3.67Å; Y131-R133 HydrophobicContact CE2-CG 3.85Å; Y131-W134 AromaticContact CD1-CD1 3.9Å; Y131-W134 HydrophobicContact CE1-CB 4.24Å; Y131-W134 PolarHBondContact O-NE1 2.87Å; Y131-T146 PolarHBondContact OH-OG1 3.45Å; Y131-W149 AromaticContact CD1-CD1 3.78Å; Y131-W149 AromaticContact CD1-CD2 3.71Å; Y131-W149 HydrophobicContact CD1-CD2 3.71Å; Y131-W149 AromaticContact CD1-CE2 3.69Å; Y131-W149 HydrophobicContact CD1-CE3 4.29Å; Y131-W149 AromaticContact CD1-CG 3.78Å; Y131-W149 HydrophobicContact CD1-CG 3.78Å; Y131-W149 HydrophobicContact CD1-CZ2 4.25Å; Y131-W149 AromaticContact CD1-NE1 3.71Å; Y131-W149 HydrophobicContact CE1-CD2 4.17Å; Y131-W149 HydrophobicContact CE1-CE3 4.45Å; Y131-W149 HydrophobicContact CE1-CG 4.18Å
132	H	92.9	Very high	88.9	Confident	26 Å²	26	74.8 Å²	74.8	12%	0.12	37%	0.367	C	S	.	.			trans	-115.3	1.8	-178.5	-61.1	114.3	0	0	0	115	L129 S130 W134 M135 F596 T647	L129-H132 PolarHBondContact O-NE2 3.18Å; S130-H132 PolarHBondContact O-N 2.99Å; S130-H132 PolarHBondContact O-ND1 3.06Å; H132-W134 PolarHBondContact O-N 3.19Å; H132-W134 VanDerWaalsContact O-N 3.11Å; H132-M135 PolarHBondContact O-N 3.43Å; H132-F596 AromaticContact CE1-CE1 3.52Å; H132-F596 AromaticContact CE1-CZ 3.47Å; H132-F596 VanDerWaalsContact CE1-CZ 3.47Å; H132-F596 WeakPolarHBondContact CE1-CZ 3.4Å; H132-T647 HydrophobicContact CB-CG2 3.41Å; H132-T647 VanDerWaalsContact CB-CG2 3.41Å
133	R	90.6	Very high	88.8	Confident	188 Å²	188	74.1 Å²	74.1	71%	0.709	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-61.1	-25.5	-177.1	-66.3	-171.7	175.4	-177.2	-2.4	112.9	Y131 M135 F136 E137	Y131-R133 HydrophobicContact CD2-CB 4.44Å; Y131-R133 HydrophobicContact CD2-CG 4.44Å; Y131-R133 HydrophobicContact CE1-CB 4.31Å; Y131-R133 HydrophobicContact CE2-CB 3.67Å; Y131-R133 HydrophobicContact CE2-CG 3.85Å; R133-M135 PolarHBondContact O-N 3.32Å; R133-M135 VanDerWaalsContact O-N 3.16Å; R133-F136 PolarHBondContact O-N 2.9Å; R133-E137 PolarHBondContact O-N 2.9Å
134	W	90.4	Very high	88.8	Confident	40 Å²	40	75.4 Å²	75.4	15%	0.152	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-55	-28.8	173.9	65.1	-93.2	0	0	0	113.5	Y131 H132 F136 E137 T146 W149 V295 T298 I300	Y131-W134 AromaticContact CD1-CD1 3.9Å; Y131-W134 HydrophobicContact CE1-CB 4.24Å; Y131-W134 PolarHBondContact O-NE1 2.87Å; H132-W134 PolarHBondContact O-N 3.19Å; H132-W134 VanDerWaalsContact O-N 3.11Å; W134-F136 VanDerWaalsContact C-N 3.28Å; W134-F136 PolarHBondContact O-N 2.72Å; W134-E137 PolarHBondContact O-N 2.86Å; W134-T146 HydrophobicContact CB-CG2 3.57Å; W134-W149 HydrophobicContact CB-CZ3 4.05Å; W134-W149 AromaticContact CD1-CH2 3.23Å; W134-W149 AromaticContact CD1-CZ2 3.75Å; W134-W149 AromaticContact CD1-CZ3 3.56Å; W134-W149 HydrophobicContact CD2-CH2 4.07Å; W134-W149 HydrophobicContact CD2-CZ3 4.21Å; W134-W149 AromaticContact CE2-CH2 3.82Å; W134-W149 HydrophobicContact CG-CE3 4.49Å; W134-W149 AromaticContact CG-CH2 3.75Å; W134-W149 HydrophobicContact CG-CH2 3.75Å; W134-W149 AromaticContact CG-CZ3 3.69Å; W134-W149 HydrophobicContact CG-CZ3 3.69Å; W134-W149 AromaticContact NE1-CH2 3.27Å; W134-W149 VanDerWaalsContact NE1-CH2 3.27Å; W134-W149 AromaticContact NE1-CZ2 3.77Å; W134-V295 HydrophobicContact CH2-CG1 4.38Å; W134-T298 HydrophobicContact CZ3-CG2 4.34Å; W134-I300 HydrophobicContact CH2-CG1 4.41Å; W134-I300 HydrophobicContact CZ2-CG1 4.06Å; W134-I300 HydrophobicContact CZ2-CG2 4.43Å
135	M	90.1	Very high	88.6	Confident	20 Å²	20	77.6 Å²	77.6	10%	0.099	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-73.4	-20.4	176.8	-69.8	-156.4	-54.2	0	0	113.6	H132 R133 L595 R643 M646 T647	H132-M135 PolarHBondContact O-N 3.43Å; R133-M135 PolarHBondContact O-N 3.32Å; R133-M135 VanDerWaalsContact O-N 3.16Å; M135-L595 HydrophobicContact CE-CD1 3.83Å; M135-L595 HydrophobicContact SD-CD1 4.04Å; M135-R643 WeakPolarHBondContact O-CD 3.29Å; M135-R643 PolarHBondContact O-NE 3.14Å; M135-M646 HydrophobicContact CE-CB 3.95Å; M135-M646 HydrophobicContact SD-CE 4.37Å; M135-M646 HydrophobicContact SD-SD 4.46Å; M135-T647 HydrophobicContact CE-CG2 3.01Å
136	F	90.5	Very high	88.5	Confident	88 Å²	88	77.7 Å²	77.7	39%	0.386	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-96.2	-3.4	-179.9	-61.6	-88.6	0	0	0	112.6	R133 W134 R643 M644 T647	R133-F136 PolarHBondContact O-N 2.9Å; W134-F136 VanDerWaalsContact C-N 3.28Å; W134-F136 PolarHBondContact O-N 2.72Å; F136-R643 HydrophobicContact CD1-CB 4.19Å; F136-R643 HydrophobicContact CE1-CB 3.65Å; F136-R643 HydrophobicContact CZ-CB 3.89Å; F136-M644 HydrophobicContact CE1-CG 4.16Å; F136-M644 HydrophobicContact CZ-CG 4.31Å; F136-T647 HydrophobicContact CE2-CG2 3.92Å; F136-T647 HydrophobicContact CZ-CG2 4.31Å
137	E	87	Confident	88.3	Confident	41 Å²	41	80.9 Å²	80.9	19%	0.192	41%	0.409	C	S	.	.	S	Bend	trans	-71.7	148.5	174.1	-65.3	-173	-176.9	0	0	111.1	R133 W134 M142 S143 T146	R133-E137 PolarHBondContact O-N 2.9Å; W134-E137 PolarHBondContact O-N 2.86Å; E137-M142 WeakPolarHBondContact OE2-CA 3.24Å; E137-S143 WeakPolarHBondContact OE1-CB 3.38Å; E137-S143 PolarHBondContact OE1-OG 2.82Å; E137-S143 PolarHBondContact OE2-N 2.84Å; E137-T146 VanDerWaalsContact CD-OG1 3.32Å; E137-T146 WeakPolarHBondContact OE1-CB 3.2Å; E137-T146 PolarHBondContact OE1-OG1 2.99Å
138	Q	75.8	Confident	88.3	Confident	140 Å²	140	79.2 Å²	79.2	65%	0.654	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-65.9	137.9	176.8	-71	-177.5	-12.3	0	0	110.6	G140 K141	Q138-G140 PolarHBondContact O-N 3.38Å; Q138-K141 PolarHBondContact O-N 2.88Å
139	H	69.1	Low	88.3	Confident	190 Å²	190	78.6 Å²	78.6	88%	0.88	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	133	177	-113.7	72.9	0	0	0	111.2	K141	H139-K141 VanDerWaalsContact C-N 3.28Å; H139-K141 PolarHBondContact O-N 2.94Å
140	G	69.5	Low	88.1	Confident	83 Å²	83	79.5 Å²	79.5	86%	0.856	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-6.9	-178.9	0	0	0	0	0	115.6	Q138	Q138-G140 PolarHBondContact O-N 3.38Å
141	K	79.3	Confident	88	Confident	151 Å²	151	79.4 Å²	79.4	66%	0.657	41%	0.407	S	S	*	.			trans	-121.4	82.1	177.2	-67.5	-176.4	-178.7	176.5	0	110.8	Q138 H139	Q138-K141 PolarHBondContact O-N 2.88Å; H139-K141 VanDerWaalsContact C-N 3.28Å; H139-K141 PolarHBondContact O-N 2.94Å
142	M	85.4	Confident	88.1	Confident	97 Å²	97	80 Å²	80	48%	0.478	41%	0.413	S	S	.	.			trans	-79.3	125.9	173.3	-68	-178.2	71.9	0	0	111.1	E137 T146 K147 V150	E137-M142 WeakPolarHBondContact OE2-CA 3.24Å; M142-T146 HydrophobicContact CE-CG2 3.69Å; M142-K147 HydrophobicContact CB-CG 4.14Å; M142-K147 WeakPolarHBondContact O-CE 3.47Å; M142-V150 HydrophobicContact CE-CG2 4.01Å
143	S	90.9	Very high	88.1	Confident	43 Å²	43	78.7 Å²	78.7	30%	0.301	41%	0.407	S	S	.	.			trans	-63.8	153.4	173.8	72.4	0	0	0	0	111.5	E137 T145 T146 K147	E137-S143 WeakPolarHBondContact OE1-CB 3.38Å; E137-S143 PolarHBondContact OE1-OG 2.82Å; E137-S143 PolarHBondContact OE2-N 2.84Å; S143-T145 PolarHBondContact O-N 3.45Å; S143-T146 PolarHBondContact O-N 3.34Å; S143-T146 VanDerWaalsContact O-N 3.12Å; S143-T146 WeakPolarHBondContact OG-CB 3.22Å; S143-T146 PolarHBondContact OG-N 3.28Å; S143-T146 PolarHBondContact OG-OG1 2.97Å; S143-K147 WeakPolarHBondContact O-CG 3.48Å; S143-K147 PolarHBondContact O-N 2.89Å
144	T	91.9	Very high	88.1	Confident	102 Å²	102	77.5 Å²	77.5	63%	0.626	40%	0.403	S	S	*	.	H	α-helix	trans	-57.8	-37.6	174.4	-53.8	0	0	0	0	111.2	T146 K147 I148	T144-T146 PolarHBondContact O-N 2.73Å; T144-K147 PolarHBondContact O-N 3.12Å; T144-I148 HydrophobicContact CG2-CD1 4.04Å; T144-I148 WeakPolarHBondContact O-CG1 3.39Å; T144-I148 PolarHBondContact O-N 3.04Å
145	T	91.8	Very high	88.1	Confident	92 Å²	92	81.3 Å²	81.3	56%	0.564	43%	0.425	S	S	*	.	H	α-helix	trans	-57.4	-48.8	173.8	-52.8	0	0	0	0	111.6	S143 I148 W149	S143-T145 PolarHBondContact O-N 3.45Å; T145-I148 PolarHBondContact O-N 3.23Å; T145-W149 WeakPolarHBondContact O-CB 3.23Å; T145-W149 PolarHBondContact O-N 3.12Å
146	T	92.4	Very high	88.1	Confident	3 Å²	3	82.8 Å²	82.8	2%	0.018	43%	0.431	C	S	.	.	H	α-helix	trans	-68.5	-34.8	179	-68.1	0	0	0	0	111.9	Y131 W134 E137 M142 S143 T144 W149 V150	Y131-T146 PolarHBondContact OH-OG1 3.45Å; W134-T146 HydrophobicContact CB-CG2 3.57Å; E137-T146 VanDerWaalsContact CD-OG1 3.32Å; E137-T146 WeakPolarHBondContact OE1-CB 3.2Å; E137-T146 PolarHBondContact OE1-OG1 2.99Å; M142-T146 HydrophobicContact CE-CG2 3.69Å; S143-T146 PolarHBondContact O-N 3.34Å; S143-T146 VanDerWaalsContact O-N 3.12Å; S143-T146 WeakPolarHBondContact OG-CB 3.22Å; S143-T146 PolarHBondContact OG-N 3.28Å; S143-T146 PolarHBondContact OG-OG1 2.97Å; T144-T146 PolarHBondContact O-N 2.73Å; T146-W149 HydrophobicContact CG2-CE3 4.13Å; T146-W149 HydrophobicContact CG2-CZ3 4.49Å; T146-W149 PolarHBondContact O-N 2.94Å; T146-V150 WeakPolarHBondContact O-CG2 3.18Å; T146-V150 PolarHBondContact O-N 2.85Å
147	K	91.7	Very high	87.9	Confident	121 Å²	121	79 Å²	79	53%	0.526	42%	0.416	S	S	.	.	H	α-helix	trans	-61.7	-47.9	172.9	-69.4	176.2	-175	176.1	0	112	M142 S143 T144 W149 V150 A151	M142-K147 HydrophobicContact CB-CG 4.14Å; M142-K147 WeakPolarHBondContact O-CE 3.47Å; S143-K147 WeakPolarHBondContact O-CG 3.48Å; S143-K147 PolarHBondContact O-N 2.89Å; T144-K147 PolarHBondContact O-N 3.12Å; K147-W149 VanDerWaalsContact C-N 3.34Å; K147-V150 PolarHBondContact O-N 3.24Å; K147-A151 PolarHBondContact O-N 2.69Å; K147-A151 VanDerWaalsContact O-N 3.1Å
148	I	94.3	Very high	87.7	Confident	97 Å²	97	78.3 Å²	78.3	50%	0.497	42%	0.419	S	S	.	.	H	α-helix	trans	-61.3	-46.1	176.1	-67.5	167.7	0	0	0	109.9	T144 T145 V150 A151 L152	T144-I148 HydrophobicContact CG2-CD1 4.04Å; T144-I148 WeakPolarHBondContact O-CG1 3.39Å; T144-I148 PolarHBondContact O-N 3.04Å; T145-I148 PolarHBondContact O-N 3.23Å; I148-V150 PolarHBondContact O-N 3.12Å; I148-A151 WeakPolarHBondContact O-CB 3.43Å; I148-A151 PolarHBondContact O-N 3.09Å; I148-A151 VanDerWaalsContact O-N 3.17Å; I148-L152 HydrophobicContact CG2-CD1 4.13Å; I148-L152 HydrophobicContact CG2-CG 4.44Å; I148-L152 WeakPolarHBondContact O-CG 3.38Å; I148-L152 PolarHBondContact O-N 3.22Å
149	W	95.3	Very high	87.9	Confident	17 Å²	17	82.8 Å²	82.8	6%	0.064	43%	0.43	C	S	.	.	H	α-helix	trans	-58.3	-45.7	177.2	168.4	82.9	0	0	0	112.6	L128 Y131 W134 T145 T146 K147 A151 L152 V153 I300	L128-W149 PolarHBondContact O-NE1 3.21Å; Y131-W149 AromaticContact CD1-CD1 3.78Å; Y131-W149 AromaticContact CD1-CD2 3.71Å; Y131-W149 HydrophobicContact CD1-CD2 3.71Å; Y131-W149 AromaticContact CD1-CE2 3.69Å; Y131-W149 HydrophobicContact CD1-CE3 4.29Å; Y131-W149 AromaticContact CD1-CG 3.78Å; Y131-W149 HydrophobicContact CD1-CG 3.78Å; Y131-W149 HydrophobicContact CD1-CZ2 4.25Å; Y131-W149 AromaticContact CD1-NE1 3.71Å; Y131-W149 HydrophobicContact CE1-CD2 4.17Å; Y131-W149 HydrophobicContact CE1-CE3 4.45Å; Y131-W149 HydrophobicContact CE1-CG 4.18Å; W134-W149 HydrophobicContact CB-CZ3 4.05Å; W134-W149 AromaticContact CD1-CH2 3.23Å; W134-W149 AromaticContact CD1-CZ2 3.75Å; W134-W149 AromaticContact CD1-CZ3 3.56Å; W134-W149 HydrophobicContact CD2-CH2 4.07Å; W134-W149 HydrophobicContact CD2-CZ3 4.21Å; W134-W149 AromaticContact CE2-CH2 3.82Å; W134-W149 HydrophobicContact CG-CE3 4.49Å; W134-W149 AromaticContact CG-CH2 3.75Å; W134-W149 HydrophobicContact CG-CH2 3.75Å; W134-W149 AromaticContact CG-CZ3 3.69Å; W134-W149 HydrophobicContact CG-CZ3 3.69Å; W134-W149 AromaticContact NE1-CH2 3.27Å; W134-W149 VanDerWaalsContact NE1-CH2 3.27Å; W134-W149 AromaticContact NE1-CZ2 3.77Å; T145-W149 WeakPolarHBondContact O-CB 3.23Å; T145-W149 PolarHBondContact O-N 3.12Å; T146-W149 HydrophobicContact CG2-CE3 4.13Å; T146-W149 HydrophobicContact CG2-CZ3 4.49Å; T146-W149 PolarHBondContact O-N 2.94Å; K147-W149 VanDerWaalsContact C-N 3.34Å; W149-A151 VanDerWaalsContact C-N 3.3Å; W149-A151 PolarHBondContact O-N 3.2Å; W149-L152 PolarHBondContact O-N 2.85Å; W149-V153 HydrophobicContact CD2-CG2 4.11Å; W149-V153 HydrophobicContact CG-CG2 4.48Å; W149-V153 HydrophobicContact CZ2-CG2 3.83Å; W149-V153 WeakPolarHBondContact O-CG2 3.17Å; W149-V153 PolarHBondContact O-N 2.82Å; W149-I300 HydrophobicContact CH2-CD1 3.26Å; W149-I300 HydrophobicContact CH2-CG1 3.94Å; W149-I300 HydrophobicContact CZ2-CD1 3.73Å; W149-I300 HydrophobicContact CZ3-CD1 4.13Å
150	V	93.1	Very high	88.7	Confident	25 Å²	25	83.4 Å²	83.4	15%	0.152	43%	0.43	C	S	.	.	H	α-helix	trans	-60.1	-41.9	175.8	169.1	0	0	0	0	111.1	M142 T146 K147 I148 L152 V153 R154 V299	M142-V150 HydrophobicContact CE-CG2 4.01Å; T146-V150 WeakPolarHBondContact O-CG2 3.18Å; T146-V150 PolarHBondContact O-N 2.85Å; K147-V150 PolarHBondContact O-N 3.24Å; I148-V150 PolarHBondContact O-N 3.12Å; V150-L152 VanDerWaalsContact C-N 3.34Å; V150-L152 PolarHBondContact O-N 3.33Å; V150-V153 PolarHBondContact O-N 2.99Å; V150-R154 WeakPolarHBondContact O-CG 3.21Å; V150-R154 PolarHBondContact O-N 2.82Å; V150-V299 HydrophobicContact CG1-CG2 4.38Å
151	A	92.9	Very high	89.8	Confident	47 Å²	47	80.9 Å²	80.9	39%	0.388	40%	0.399	S	S	.	.	H	α-helix	trans	-60.8	-44.5	176.4	0	0	0	0	0	111.3	K147 I148 W149 R154 I155	K147-A151 PolarHBondContact O-N 2.69Å; K147-A151 VanDerWaalsContact O-N 3.1Å; I148-A151 WeakPolarHBondContact O-CB 3.43Å; I148-A151 PolarHBondContact O-N 3.09Å; I148-A151 VanDerWaalsContact O-N 3.17Å; W149-A151 VanDerWaalsContact C-N 3.3Å; W149-A151 PolarHBondContact O-N 3.2Å; A151-R154 PolarHBondContact O-N 3.29Å; A151-I155 VanDerWaalsContact O-CG1 3.31Å; A151-I155 WeakPolarHBondContact O-CG1 3.48Å; A151-I155 PolarHBondContact O-N 3.39Å
152	L	94.3	Very high	90.5	Very high	68 Å²	68	75.1 Å²	75.1	36%	0.356	38%	0.375	S	S	.	.	H	α-helix	trans	-62.7	-46.4	175.3	-67.2	174.4	0	0	0	111.9	L128 I148 W149 V150 R154 I155 F156	L128-L152 HydrophobicContact CD1-CB 4Å; L128-L152 HydrophobicContact CD2-CB 3.92Å; L128-L152 HydrophobicContact CD2-CD1 4.17Å; I148-L152 HydrophobicContact CG2-CD1 4.13Å; I148-L152 HydrophobicContact CG2-CG 4.44Å; I148-L152 WeakPolarHBondContact O-CG 3.38Å; I148-L152 PolarHBondContact O-N 3.22Å; W149-L152 PolarHBondContact O-N 2.85Å; V150-L152 VanDerWaalsContact C-N 3.34Å; V150-L152 PolarHBondContact O-N 3.33Å; L152-R154 VanDerWaalsContact C-N 3.26Å; L152-R154 PolarHBondContact O-N 2.85Å; L152-I155 PolarHBondContact O-N 3.27Å; L152-I155 VanDerWaalsContact O-N 3.11Å; L152-F156 WeakPolarHBondContact O-CD2 3.48Å; L152-F156 PolarHBondContact O-N 2.67Å
153	V	93.6	Very high	91	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-56.6	-43.2	175.9	171.8	0	0	0	0	110.5	L128 L129 W149 V150 I155 F156 S157 V299 I300	L128-V153 HydrophobicContact CB-CG2 3.93Å; L129-V153 HydrophobicContact CD2-CG1 4.32Å; W149-V153 HydrophobicContact CD2-CG2 4.11Å; W149-V153 HydrophobicContact CG-CG2 4.48Å; W149-V153 HydrophobicContact CZ2-CG2 3.83Å; W149-V153 WeakPolarHBondContact O-CG2 3.17Å; W149-V153 PolarHBondContact O-N 2.82Å; V150-V153 PolarHBondContact O-N 2.99Å; V153-I155 PolarHBondContact O-N 3.07Å; V153-F156 PolarHBondContact O-N 3.36Å; V153-S157 WeakPolarHBondContact O-CB 3.42Å; V153-S157 PolarHBondContact O-N 2.85Å; V153-S157 PolarHBondContact O-OG 2.93Å; V153-V299 HydrophobicContact CG1-CG2 3.96Å; V153-I300 HydrophobicContact CG1-CD1 4.02Å
154	R	91.4	Very high	91.2	Very high	163 Å²	163	70.8 Å²	70.8	62%	0.615	35%	0.347	S	S	*	.	H	α-helix	trans	-62.2	-41.5	177.1	-73.6	176.8	-179.5	179.9	-0.2	112.7	V150 A151 L152 V299	V150-R154 WeakPolarHBondContact O-CG 3.21Å; V150-R154 PolarHBondContact O-N 2.82Å; A151-R154 PolarHBondContact O-N 3.29Å; L152-R154 VanDerWaalsContact C-N 3.26Å; L152-R154 PolarHBondContact O-N 2.85Å; R154-V299 HydrophobicContact CG-CB 4.44Å; R154-V299 HydrophobicContact CG-CG1 4.04Å; R154-V299 HydrophobicContact CG-CG2 4.13Å
155	I	89.7	Confident	91.3	Very high	120 Å²	120	66 Å²	66	62%	0.615	32%	0.318	S	S	*	.	H	α-helix	trans	-65.6	-45.6	178.5	-68.6	164.1	0	0	0	110.7	A151 L152 V153	A151-I155 VanDerWaalsContact O-CG1 3.31Å; A151-I155 WeakPolarHBondContact O-CG1 3.48Å; A151-I155 PolarHBondContact O-N 3.39Å; L152-I155 PolarHBondContact O-N 3.27Å; L152-I155 VanDerWaalsContact O-N 3.11Å; V153-I155 PolarHBondContact O-N 3.07Å
156	F	89.8	Confident	91.4	Very high	51 Å²	51	61.8 Å²	61.8	22%	0.224	29%	0.292	C	S	.	.	H	α-helix	trans	-81.7	-15.5	-176.1	-79.3	-95.2	0	0	0	113.9	P56 M121 C124 L125 L128 L152 V153 G158	P56-F156 WeakPolarHBondContact CB-O 3.17Å; P56-F156 WeakPolarHBondContact CG-O 3.28Å; M121-F156 HydrophobicContact CG-CE1 4.47Å; C124-F156 HydrophobicContact CB-CD1 3.85Å; C124-F156 HydrophobicContact CB-CE1 3.61Å; C124-F156 HydrophobicContact CB-CZ 4.29Å; L125-F156 HydrophobicContact CB-CB 4.34Å; L125-F156 HydrophobicContact CD1-CB 4.06Å; L128-F156 HydrophobicContact CD1-CB 4.1Å; L128-F156 HydrophobicContact CD1-CD2 3.94Å; L128-F156 HydrophobicContact CD1-CG 4.08Å; L152-F156 WeakPolarHBondContact O-CD2 3.48Å; L152-F156 PolarHBondContact O-N 2.67Å; V153-F156 PolarHBondContact O-N 3.36Å; F156-G158 PolarHBondContact O-N 2.9Å; F156-G158 VanDerWaalsContact O-N 3.15Å
157	S	87.6	Confident	91.5	Very high	9 Å²	9	62.8 Å²	62.8	6%	0.063	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	18.7	178.7	-67.1	0	0	0	0	114.2	Y55 V153 Y166	Y55-S157 VanDerWaalsContact OH-C 3.23Å; Y55-S157 PolarHBondContact OH-O 2.95Å; V153-S157 WeakPolarHBondContact O-CB 3.42Å; V153-S157 PolarHBondContact O-N 2.85Å; V153-S157 PolarHBondContact O-OG 2.93Å; S157-Y166 PolarHBondContact O-OH 2.78Å
158	G	81.6	Confident	91.4	Very high	26 Å²	26	58.9 Å²	58.9	27%	0.268	29%	0.29	S	S	.	.			trans	52.8	-165.9	173.2	0	0	0	0	0	115.3	F156	F156-G158 PolarHBondContact O-N 2.9Å; F156-G158 VanDerWaalsContact O-N 3.15Å
159	R	81.3	Confident	91.4	Very high	234 Å²	234	54.2 Å²	54.2	88%	0.883	27%	0.266	S	S	*	.	S	Bend	trans	-124.3	140.1	175.8	-63	-177.9	-178.1	-179.7	0.5	109.5
160	K	85.5	Confident	91.4	Very high	202 Å²	202	53.5 Å²	53.5	88%	0.878	26%	0.264	S	S	*	.	S	Bend	trans	54	64.7	175.9	-58.5	-179.7	178.1	-178.9	0	114
161	P	91.9	Very high	91.6	Very high	30 Å²	30	52.5 Å²	52.5	20%	0.195	26%	0.258	C	S	.	.			trans	-65.7	140.7	176.8	30.6	-36	0	0	0	111.5	Y55 Y166 P292	Y55-P161 HydrophobicContact CE2-CB 4Å; P161-Y166 HydrophobicContact CB-CD2 4.28Å; P161-Y166 HydrophobicContact CB-CE2 3.62Å; P161-Y166 HydrophobicContact CG-CE2 3.73Å; P161-P292 HydrophobicContact CB-CG 4.06Å; P161-P292 HydrophobicContact CG-CG 4.07Å
162	L	94.4	Very high	91.7	Very high	30 Å²	30	53 Å²	53	16%	0.157	25%	0.254	C	S	.	.			trans	-76.5	165	161.9	-62.5	-180	0	0	0	109.6	N48 I51 Y164 S165 E288 P292	N48-L162 HydrophobicContact CB-CD1 4.08Å; I51-L162 HydrophobicContact CB-CD1 4.02Å; I51-L162 HydrophobicContact CG2-CD1 3.68Å; I51-L162 HydrophobicContact CG2-CG 4.18Å; L162-Y164 PolarHBondContact O-N 3.14Å; L162-S165 PolarHBondContact N-OG 3.21Å; L162-S165 VanDerWaalsContact O-CB 3.31Å; L162-S165 WeakPolarHBondContact O-CB 3.29Å; L162-S165 PolarHBondContact O-N 3.43Å; L162-S165 PolarHBondContact O-OG 3.15Å; L162-E288 HydrophobicContact CB-CB 4Å; L162-E288 HydrophobicContact CD1-CB 4.48Å; L162-P292 VanDerWaalsContact O-CG 3.27Å; L162-P292 WeakPolarHBondContact O-CG 3.38Å
163	L	94.8	Very high	91.8	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-41.8	-177.7	-179.7	60.2	0	0	0	113.6	L285 E288 I290 S304 C307	L163-L285 HydrophobicContact CD2-CD1 3.5Å; L163-L285 VanDerWaalsContact CD2-CD1 3.5Å; L163-E288 HydrophobicContact CB-CB 4.03Å; L163-E288 PolarHBondContact N-O 3.07Å; L163-I290 WeakPolarHBondContact CA-O 3.43Å; L163-I290 WeakPolarHBondContact CB-O 3.33Å; L163-I290 HydrophobicContact CD1-CB 4.11Å; L163-I290 HydrophobicContact CD1-CG2 4.07Å; L163-I290 HydrophobicContact CD2-CB 4.27Å; L163-S304 PolarHBondContact O-OG 3.47Å; L163-S304 VanDerWaalsContact O-OG 3.1Å; L163-C307 HydrophobicContact CD2-CB 4.19Å
164	Y	95.5	Very high	91.9	Very high	47 Å²	47	53 Å²	53	18%	0.184	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	4.3	-176.7	-55.7	-55.2	0	0	0	114.6	L162 Y166 Q167 E288 S304 E308	L162-Y164 PolarHBondContact O-N 3.14Å; Y164-Y166 VanDerWaalsContact C-N 3.25Å; Y164-Y166 PolarHBondContact O-N 3.36Å; Y164-Y166 VanDerWaalsContact O-N 3.15Å; Y164-Q167 HydrophobicContact CD1-CG 4.18Å; Y164-Q167 WeakPolarHBondContact O-CB 3.41Å; Y164-Q167 WeakPolarHBondContact O-CG 3.22Å; Y164-Q167 PolarHBondContact O-N 3.21Å; Y164-E288 VanDerWaalsContact CD2-CD 3.44Å; Y164-E288 HydrophobicContact CD2-CG 3.66Å; Y164-E288 HydrophobicContact CE2-CG 3.86Å; Y164-S304 WeakPolarHBondContact CE1-O 3.45Å; Y164-E308 PolarHBondContact OH-N 3.36Å
165	S	94.1	Very high	92.2	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.014	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-38.5	-176.8	-77.3	0	0	0	0	113.7	Y55 L162	Y55-S165 WeakPolarHBondContact CD1-O 3.45Å; L162-S165 PolarHBondContact N-OG 3.21Å; L162-S165 VanDerWaalsContact O-CB 3.31Å; L162-S165 WeakPolarHBondContact O-CB 3.29Å; L162-S165 PolarHBondContact O-N 3.43Å; L162-S165 PolarHBondContact O-OG 3.15Å
166	Y	94.6	Very high	92.5	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.016	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-12.6	-178.7	-64.9	-74.4	0	0	0	114.3	Y55 L125 S157 P161 Y164 G168 S169 L170 P292 P301	Y55-Y166 AromaticContact CE1-CD1 3.76Å; Y55-Y166 HydrophobicContact CE1-CD1 3.76Å; Y55-Y166 AromaticContact CE1-CE1 3.79Å; Y55-Y166 HydrophobicContact CE1-CE1 3.79Å; Y55-Y166 HydrophobicContact CE1-CG 4.36Å; Y55-Y166 AromaticContact CZ-CE1 3.83Å; Y55-Y166 WeakPolarHBondContact OH-CE1 3.4Å; Y55-Y166 PolarHBondContact OH-OH 3.45Å; Y55-Y166 VanDerWaalsContact OH-OH 3.06Å; L125-Y166 HydrophobicContact CD2-CD1 4.34Å; L125-Y166 HydrophobicContact CD2-CE1 4.5Å; S157-Y166 PolarHBondContact O-OH 2.78Å; P161-Y166 HydrophobicContact CB-CD2 4.28Å; P161-Y166 HydrophobicContact CB-CE2 3.62Å; P161-Y166 HydrophobicContact CG-CE2 3.73Å; Y164-Y166 VanDerWaalsContact C-N 3.25Å; Y164-Y166 PolarHBondContact O-N 3.36Å; Y164-Y166 VanDerWaalsContact O-N 3.15Å; Y166-G168 VanDerWaalsContact C-N 3.27Å; Y166-G168 PolarHBondContact O-N 3.34Å; Y166-S169 CarbonylContact O-C 3.44Å; Y166-S169 WeakPolarHBondContact O-CA 3.4Å; Y166-S169 PolarHBondContact O-N 2.74Å; Y166-L170 WeakPolarHBondContact O-CG 3.31Å; Y166-L170 PolarHBondContact O-N 3.23Å; Y166-P292 HydrophobicContact CD2-CB 3.95Å; Y166-P292 HydrophobicContact CD2-CG 4.11Å; Y166-P292 HydrophobicContact CE2-CB 4.07Å; Y166-P292 HydrophobicContact CE2-CG 4.1Å; Y166-P301 HydrophobicContact CD1-CB 3.94Å; Y166-P301 HydrophobicContact CD1-CG 3.64Å; Y166-P301 HydrophobicContact CD2-CB 3.51Å; Y166-P301 HydrophobicContact CD2-CG 4.17Å; Y166-P301 HydrophobicContact CE1-CB 4.27Å; Y166-P301 HydrophobicContact CE1-CG 4.02Å; Y166-P301 HydrophobicContact CE2-CB 3.88Å; Y166-P301 HydrophobicContact CG-CB 3.53Å; Y166-P301 HydrophobicContact CG-CG 3.71Å
167	Q	93.8	Very high	92.9	Very high	23 Å²	23	41.4 Å²	41.4	11%	0.107	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-37.3	-171.5	-67.4	-50.4	-58.4	0	0	113.1	Y164 S169 C303	Y164-Q167 HydrophobicContact CD1-CG 4.18Å; Y164-Q167 WeakPolarHBondContact O-CB 3.41Å; Y164-Q167 WeakPolarHBondContact O-CG 3.22Å; Y164-Q167 PolarHBondContact O-N 3.21Å; Q167-S169 VanDerWaalsContact C-N 3.27Å; Q167-S169 PolarHBondContact O-N 3.16Å; Q167-C303 PolarHBondContact OE1-SG 2.82Å
168	G	89.9	Confident	93.4	Very high	39 Å²	39	41.6 Å²	41.6	40%	0.402	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-15.1	176.4	0	0	0	0	0	114.7	Y166	Y166-G168 VanDerWaalsContact C-N 3.27Å; Y166-G168 PolarHBondContact O-N 3.34Å
169	S	94.3	Very high	94.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-7.6	-178.1	-61.9	0	0	0	0	113.6	K126 Y166 Q167	K126-S169 WeakPolarHBondContact CA-O 3.26Å; K126-S169 WeakPolarHBondContact CB-O 3.35Å; Y166-S169 CarbonylContact O-C 3.44Å; Y166-S169 WeakPolarHBondContact O-CA 3.4Å; Y166-S169 PolarHBondContact O-N 2.74Å; Q167-S169 VanDerWaalsContact C-N 3.27Å; Q167-S169 PolarHBondContact O-N 3.16Å
170	L	96.2	Very high	94.9	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	22%	0.215	C	C	.	.	S	Bend	trans	-67.4	142.6	174.7	-71.6	170.7	0	0	0	110.7	K126 L129 Y166 P301 C303 R597	K126-L170 WeakPolarHBondContact CE-O 3.39Å; L129-L170 HydrophobicContact CD1-CD2 4.41Å; Y166-L170 WeakPolarHBondContact O-CG 3.31Å; Y166-L170 PolarHBondContact O-N 3.23Å; L170-P301 HydrophobicContact CD2-CG 4.24Å; L170-C303 HydrophobicContact CD1-CB 3.8Å; L170-R597 HydrophobicContact CB-CB 4.04Å
171	P	95.9	Very high	95.5	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.026	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-65.3	155.3	174	27.7	-34.1	0	0	0	111.5	S130 L595 F596 R597	S130-P171 WeakPolarHBondContact OG-CB 3.47Å; P171-L595 WeakPolarHBondContact CD-O 3.41Å; P171-L595 WeakPolarHBondContact CG-O 3.21Å; P171-F596 HydrophobicContact CB-CD1 4Å; P171-F596 HydrophobicContact CB-CE1 4.32Å; P171-F596 HydrophobicContact CG-CD1 3.71Å; P171-F596 HydrophobicContact CG-CE1 4.06Å; P171-F596 CarbonylContact O-C 3.43Å; P171-F596 VanDerWaalsContact O-CA 3.31Å; P171-F596 WeakPolarHBondContact O-CA 3.21Å; P171-R597 PolarHBondContact O-N 2.89Å
172	N	95.6	Very high	95.7	Very high	56 Å²	56	29 Å²	29	30%	0.299	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-79	150.1	168.3	-61	20.1	0	0	0	108.3	K126 A227 F596	K126-N172 PolarHBondContact NZ-OD1 2.91Å; N172-A227 PolarHBondContact ND2-O 3.17Å; N172-F596 VanDerWaalsContact O-CD1 3.26Å; N172-F596 WeakPolarHBondContact O-CD1 3.48Å
173	L	96.4	Very high	95.9	Very high	13 Å²	13	33.6 Å²	33.6	7%	0.068	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-62.2	126.2	176.9	-172.8	71.9	0	0	0	110.1	Y230 V231 T593 F596	L173-Y230 HydrophobicContact CB-CD1 4.34Å; L173-Y230 HydrophobicContact CB-CE1 4.1Å; L173-Y230 HydrophobicContact CD2-CD1 4.39Å; L173-Y230 HydrophobicContact CD2-CE1 3.77Å; L173-Y230 HydrophobicContact CG-CE1 3.83Å; L173-Y230 WeakPolarHBondContact O-CD1 3.45Å; L173-Y230 WeakPolarHBondContact O-CE1 3.16Å; L173-V231 HydrophobicContact CD2-CB 4.08Å; L173-V231 HydrophobicContact CD2-CG2 3.52Å; L173-T593 HydrophobicContact CD1-CG2 4.36Å; L173-F596 HydrophobicContact CB-CB 4.11Å; L173-F596 HydrophobicContact CB-CG 4.17Å; L173-F596 HydrophobicContact CD1-CB 4.21Å; L173-F596 HydrophobicContact CD1-CD1 4.47Å; L173-F596 HydrophobicContact CD1-CD2 3.27Å; L173-F596 HydrophobicContact CD1-CE2 3.68Å; L173-F596 HydrophobicContact CD1-CG 3.72Å; L173-F596 HydrophobicContact CD1-CZ 4.44Å; L173-F596 HydrophobicContact CG-CD2 4.49Å
174	P	95.9	Very high	96	Very high	56 Å²	56	35.5 Å²	35.5	36%	0.364	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-72.2	150.5	-179.9	29.7	-35.9	0	0	0	111.7	P176 Y230 F596	P174-P176 WeakPolarHBondContact O-CD 3.47Å; P174-Y230 VanDerWaalsContact O-CE1 3.25Å; P174-Y230 WeakPolarHBondContact O-CE1 3.38Å; P174-Y230 PolarHBondContact O-OH 3.44Å; P174-F596 HydrophobicContact CG-CE1 4.25Å; P174-F596 HydrophobicContact CG-CZ 4.16Å
175	V	97.4	Very high	96.1	Very high	31 Å²	31	33.5 Å²	33.5	19%	0.188	18%	0.183	C	C	.	.			trans	-91.9	114.1	171.8	-171.2	0	0	0	0	108.6	L220 A224 Y230	V175-L220 HydrophobicContact CG1-CD2 3.74Å; V175-L220 HydrophobicContact CG1-CG 3.94Å; V175-A224 HydrophobicContact CG2-CB 3.47Å; V175-A224 VanDerWaalsContact CG2-CB 3.47Å; V175-Y230 HydrophobicContact CB-CE1 4.5Å; V175-Y230 HydrophobicContact CG2-CD1 3.85Å; V175-Y230 HydrophobicContact CG2-CE1 3.82Å; V175-Y230 HydrophobicContact CG2-CG 4.25Å
176	P	97	Very high	96.3	Very high	14 Å²	14	34.1 Å²	34.1	9%	0.091	19%	0.187	C	C	.	.			trans	-62.2	160.9	178.4	-20.4	32.1	0	0	0	112.5	P174 Q217 Y230 G648 H654	P174-P176 WeakPolarHBondContact O-CD 3.47Å; P176-Q217 PolarHBondContact O-NE2 3.43Å; P176-Y230 WeakPolarHBondContact CD-OH 3.46Å; P176-G648 WeakPolarHBondContact CG-O 3.49Å; P176-H654 HydrophobicContact CG-CB 4.14Å; P176-H654 PolarHBondContact O-CE1 2.9Å
177	A	97.2	Very high	96.4	Very high	45 Å²	45	37.3 Å²	37.3	37%	0.372	20%	0.201	S	C	.	.			trans	-72.3	142.3	169.9	0	0	0	0	0	110.9	K179 D180 T181	A177-K179 VanDerWaalsContact C-N 3.33Å; A177-K179 PolarHBondContact O-N 3.4Å; A177-D180 HydrophobicContact CB-CB 4.34Å; A177-D180 PolarHBondContact O-N 3.44Å; A177-T181 WeakPolarHBondContact O-CB 3.45Å; A177-T181 PolarHBondContact O-N 3.2Å; A177-T181 PolarHBondContact O-OG1 3.15Å
178	V	97.7	Very high	96.5	Very high	14 Å²	14	36.8 Å²	36.8	9%	0.085	20%	0.201	C	C	.	.	H	α-helix	trans	-57.7	-47	176.3	177.2	0	0	0	0	110.6	D180 T181 V182 F208 E209 Q217	V178-D180 PolarHBondContact O-N 3.39Å; V178-T181 WeakPolarHBondContact O-CA 3.44Å; V178-T181 WeakPolarHBondContact O-CB 3.5Å; V178-T181 PolarHBondContact O-N 3.47Å; V178-V182 HydrophobicContact CG1-CG2 4Å; V178-V182 WeakPolarHBondContact O-CB 3.38Å; V178-V182 WeakPolarHBondContact O-CG2 3.48Å; V178-V182 PolarHBondContact O-N 3.03Å; V178-F208 HydrophobicContact CG1-CD1 4.39Å; V178-F208 HydrophobicContact CG1-CE1 4.02Å; V178-E209 HydrophobicContact CG1-CG 4.44Å; V178-Q217 HydrophobicContact CG2-CB 3.73Å; V178-Q217 HydrophobicContact CG2-CG 3.93Å; V178-Q217 VanDerWaalsContact CG2-OE1 3.3Å
179	K	97.3	Very high	96.8	Very high	136 Å²	136	35.5 Å²	35.5	59%	0.591	19%	0.185	S	C	*	.	H	α-helix	trans	-54	-47.9	177.7	-177.3	171.1	-175	178	0	113	A177 T181 V182 K183 E209	A177-K179 VanDerWaalsContact C-N 3.33Å; A177-K179 PolarHBondContact O-N 3.4Å; K179-T181 VanDerWaalsContact C-N 3.28Å; K179-T181 PolarHBondContact O-N 3.3Å; K179-V182 PolarHBondContact O-N 3.12Å; K179-K183 VanDerWaalsContact O-CB 3.29Å; K179-K183 WeakPolarHBondContact O-CB 3.39Å; K179-K183 PolarHBondContact O-N 3.44Å; K179-E209 WeakPolarHBondContact CB-OE1 3.13Å; K179-E209 VanDerWaalsContact CG-OE1 3.25Å; K179-E209 WeakPolarHBondContact CG-OE1 3.47Å
180	D	97.2	Very high	96.8	Very high	85 Å²	85	39.4 Å²	39.4	46%	0.455	20%	0.199	S	C	.	.	H	α-helix	trans	-67.5	-32.7	179.3	-63.1	-24.6	0	0	0	111.9	A177 V178 R184	A177-D180 HydrophobicContact CB-CB 4.34Å; A177-D180 PolarHBondContact O-N 3.44Å; V178-D180 PolarHBondContact O-N 3.39Å; D180-R184 WeakPolarHBondContact O-CB 3.5Å; D180-R184 WeakPolarHBondContact O-CG 3.27Å; D180-R184 PolarHBondContact O-N 3.34Å; D180-R184 PolarHBondContact O-NE 2.96Å
181	T	97.7	Very high	96.8	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-70.9	-48.2	178.2	-56	0	0	0	0	110.9	A177 V178 K179 R184 Y185 I651 H654 L655	A177-T181 WeakPolarHBondContact O-CB 3.45Å; A177-T181 PolarHBondContact O-N 3.2Å; A177-T181 PolarHBondContact O-OG1 3.15Å; V178-T181 WeakPolarHBondContact O-CA 3.44Å; V178-T181 WeakPolarHBondContact O-CB 3.5Å; V178-T181 PolarHBondContact O-N 3.47Å; K179-T181 VanDerWaalsContact C-N 3.28Å; K179-T181 PolarHBondContact O-N 3.3Å; T181-R184 PolarHBondContact O-N 2.91Å; T181-Y185 WeakPolarHBondContact O-CB 3.33Å; T181-Y185 PolarHBondContact O-N 3.19Å; T181-I651 HydrophobicContact CG2-CB 3.88Å; T181-I651 HydrophobicContact CG2-CG2 4.02Å; T181-H654 HydrophobicContact CG2-CB 4.33Å; T181-H654 PolarHBondContact OG1-CE1 2.89Å; T181-H654 PolarHBondContact OG1-ND1 3.4Å; T181-L655 HydrophobicContact CG2-CD1 4.12Å; T181-L655 HydrophobicContact CG2-CD2 3.93Å; T181-L655 HydrophobicContact CG2-CG 3.71Å
182	V	97.8	Very high	96.7	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.024	22%	0.216	C	C	.	.	H	α-helix	trans	-62.1	-47.5	177.3	169.5	0	0	0	0	110.9	V178 K179 R184 Y185 L186 A205 F208 F671	V178-V182 HydrophobicContact CG1-CG2 4Å; V178-V182 WeakPolarHBondContact O-CB 3.38Å; V178-V182 WeakPolarHBondContact O-CG2 3.48Å; V178-V182 PolarHBondContact O-N 3.03Å; K179-V182 PolarHBondContact O-N 3.12Å; V182-R184 PolarHBondContact O-N 2.94Å; V182-Y185 WeakPolarHBondContact O-CB 3.43Å; V182-Y185 PolarHBondContact O-N 3.36Å; V182-L186 HydrophobicContact CG1-CD1 4.16Å; V182-L186 WeakPolarHBondContact O-CG 3.17Å; V182-L186 PolarHBondContact O-N 2.71Å; V182-A205 HydrophobicContact CG1-CB 3.69Å; V182-F208 HydrophobicContact CG2-CD1 4.2Å; V182-F671 HydrophobicContact CG2-CE1 4.31Å; V182-F671 HydrophobicContact CG2-CZ 4.29Å
183	K	97.6	Very high	96.7	Very high	128 Å²	128	41.6 Å²	41.6	56%	0.557	21%	0.213	S	C	*	.	H	α-helix	trans	-55.4	-50.4	176.7	-180	-178.7	173.8	-175.7	0	111.8	K179 L186 E187	K179-K183 VanDerWaalsContact O-CB 3.29Å; K179-K183 WeakPolarHBondContact O-CB 3.39Å; K179-K183 PolarHBondContact O-N 3.44Å; K183-L186 PolarHBondContact O-N 3.1Å; K183-E187 WeakPolarHBondContact CE-OE1 3.49Å; K183-E187 WeakPolarHBondContact O-CG 3.47Å; K183-E187 PolarHBondContact O-N 2.95Å
184	R	97.4	Very high	96.6	Very high	41 Å²	41	45.2 Å²	45.2	16%	0.155	23%	0.233	C	C	.	.	H	α-helix	trans	-71.6	-30.2	-178.7	-73.3	177.5	-67.4	175.7	13.3	112.9	D180 T181 V182 S188 M644 A649 I651	D180-R184 WeakPolarHBondContact O-CB 3.5Å; D180-R184 WeakPolarHBondContact O-CG 3.27Å; D180-R184 PolarHBondContact O-N 3.34Å; D180-R184 PolarHBondContact O-NE 2.96Å; T181-R184 PolarHBondContact O-N 2.91Å; V182-R184 PolarHBondContact O-N 2.94Å; R184-S188 WeakPolarHBondContact O-CB 3.46Å; R184-S188 PolarHBondContact O-N 2.87Å; R184-M644 PolarHBondContact NH1-SD 3.35Å; R184-A649 PolarHBondContact NH1-O 2.91Å; R184-A649 PolarHBondContact NH2-O 2.85Å; R184-I651 HydrophobicContact CB-CG2 3.81Å
185	Y	97.5	Very high	96.7	Very high	6 Å²	6	47.5 Å²	47.5	2%	0.024	24%	0.242	C	C	.	.	H	α-helix	trans	-60.3	-51	169.6	171	-98.2	0	0	0	110.7	T181 V182 E187 S188 V189 T201 L655 F671 V675	T181-Y185 WeakPolarHBondContact O-CB 3.33Å; T181-Y185 PolarHBondContact O-N 3.19Å; V182-Y185 WeakPolarHBondContact O-CB 3.43Å; V182-Y185 PolarHBondContact O-N 3.36Å; Y185-E187 PolarHBondContact O-N 3.19Å; Y185-S188 WeakPolarHBondContact O-CA 3.41Å; Y185-S188 WeakPolarHBondContact O-CB 3.29Å; Y185-S188 PolarHBondContact O-N 3.49Å; Y185-S188 PolarHBondContact O-OG 3.28Å; Y185-V189 HydrophobicContact CD2-CG1 4.14Å; Y185-V189 HydrophobicContact CE1-CG1 4.11Å; Y185-V189 HydrophobicContact CE1-CG2 4.27Å; Y185-V189 HydrophobicContact CE2-CG1 3.56Å; Y185-V189 PolarHBondContact O-N 2.89Å; Y185-T201 HydrophobicContact CE1-CG2 3.66Å; Y185-L655 HydrophobicContact CD2-CD1 4.05Å; Y185-L655 HydrophobicContact CG-CD1 4.42Å; Y185-F671 AromaticContact CD1-CE2 3.65Å; Y185-F671 HydrophobicContact CD1-CE2 3.65Å; Y185-F671 AromaticContact CD1-CZ 3.72Å; Y185-F671 HydrophobicContact CD1-CZ 3.72Å; Y185-F671 AromaticContact CE1-CE2 3.55Å; Y185-F671 HydrophobicContact CE1-CE2 3.55Å; Y185-F671 HydrophobicContact CE1-CZ 4.01Å; Y185-F671 HydrophobicContact CG-CZ 4.28Å; Y185-V675 HydrophobicContact CD1-CG2 4.38Å; Y185-V675 HydrophobicContact CD2-CG1 4.17Å; Y185-V675 HydrophobicContact CD2-CG2 4.16Å; Y185-V675 HydrophobicContact CE1-CG2 3.81Å; Y185-V675 HydrophobicContact CE2-CB 4.01Å; Y185-V675 HydrophobicContact CE2-CG1 3.77Å; Y185-V675 HydrophobicContact CE2-CG2 3.56Å; Y185-V675 WeakPolarHBondContact OH-CG2 3.49Å
186	L	97.6	Very high	96.6	Very high	15 Å²	15	49.3 Å²	49.3	8%	0.079	26%	0.26	C	S	.	.	H	α-helix	trans	-58.2	-45.5	177.3	-68.1	171.7	0	0	0	111.6	V182 K183 S188 V189 R190 Y198 T201 N202 A205	V182-L186 HydrophobicContact CG1-CD1 4.16Å; V182-L186 WeakPolarHBondContact O-CG 3.17Å; V182-L186 PolarHBondContact O-N 2.71Å; K183-L186 PolarHBondContact O-N 3.1Å; L186-S188 PolarHBondContact O-N 2.91Å; L186-V189 WeakPolarHBondContact O-CG2 3.11Å; L186-V189 PolarHBondContact O-N 2.77Å; L186-R190 PolarHBondContact O-N 3.26Å; L186-R190 VanDerWaalsContact O-N 3.16Å; L186-Y198 HydrophobicContact CB-CE2 4.42Å; L186-Y198 WeakPolarHBondContact O-CE2 3.06Å; L186-T201 HydrophobicContact CD2-CG2 4.02Å; L186-N202 WeakPolarHBondContact CD1-OD1 3.45Å; L186-N202 HydrophobicContact CD2-CB 4.38Å; L186-A205 HydrophobicContact CD1-CB 4.05Å; L186-A205 HydrophobicContact CD2-CB 4.03Å; L186-A205 HydrophobicContact CG-CB 4.28Å
187	E	96.8	Very high	96.5	Very high	70 Å²	70	53 Å²	53	33%	0.327	28%	0.276	S	S	.	.	H	α-helix	trans	-56.4	-37.3	173.2	-72.3	175.7	-160.3	0	0	112.8	K183 Y185 K637	K183-E187 WeakPolarHBondContact CE-OE1 3.49Å; K183-E187 WeakPolarHBondContact O-CG 3.47Å; K183-E187 PolarHBondContact O-N 2.95Å; Y185-E187 PolarHBondContact O-N 3.19Å; E187-K637 IonicContact OE2-NZ 2.79Å; E187-K637 PolarHBondContact OE2-NZ 2.87Å
188	S	96.4	Very high	96.5	Very high	13 Å²	13	53.5 Å²	53.5	9%	0.091	27%	0.269	C	S	.	.	H	α-helix	trans	-78	-29.2	-177.1	77.1	0	0	0	0	114.2	R184 Y185 L186 P191 R605	R184-S188 WeakPolarHBondContact O-CB 3.46Å; R184-S188 PolarHBondContact O-N 2.87Å; Y185-S188 WeakPolarHBondContact O-CA 3.41Å; Y185-S188 WeakPolarHBondContact O-CB 3.29Å; Y185-S188 PolarHBondContact O-N 3.49Å; Y185-S188 PolarHBondContact O-OG 3.28Å; L186-S188 PolarHBondContact O-N 2.91Å; S188-P191 WeakPolarHBondContact O-CD 3.17Å; S188-R605 WeakPolarHBondContact OG-CD 3.27Å; S188-R605 PolarHBondContact OG-NH1 3.47Å
189	V	95.5	Very high	96.4	Very high	12 Å²	12	58.3 Å²	58.3	7%	0.073	29%	0.291	C	S	.	.	H	α-helix	trans	-89.1	-19.9	-179.5	-60.9	0	0	0	0	112.7	Y185 L186 P191 L192 V193 Y198	Y185-V189 HydrophobicContact CD2-CG1 4.14Å; Y185-V189 HydrophobicContact CE1-CG1 4.11Å; Y185-V189 HydrophobicContact CE1-CG2 4.27Å; Y185-V189 HydrophobicContact CE2-CG1 3.56Å; Y185-V189 PolarHBondContact O-N 2.89Å; L186-V189 WeakPolarHBondContact O-CG2 3.11Å; L186-V189 PolarHBondContact O-N 2.77Å; V189-P191 VanDerWaalsContact C-CD 3.4Å; V189-P191 VanDerWaalsContact C-N 3.33Å; V189-L192 WeakPolarHBondContact O-CA 3.35Å; V189-L192 WeakPolarHBondContact O-CB 3.2Å; V189-L192 PolarHBondContact O-N 2.76Å; V189-V193 PolarHBondContact O-N 2.68Å; V189-Y198 HydrophobicContact CG2-CD2 4.46Å; V189-Y198 HydrophobicContact CG2-CE2 4.42Å
190	R	95.4	Very high	96.4	Very high	81 Å²	81	57.3 Å²	57.3	31%	0.306	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-41	179.5	-176.8	60.1	-134.8	-176.7	-6.2	115.7	L186 L192 D195 Y198	L186-R190 PolarHBondContact O-N 3.26Å; L186-R190 VanDerWaalsContact O-N 3.16Å; R190-L192 VanDerWaalsContact C-N 3.26Å; R190-L192 PolarHBondContact O-N 3.42Å; R190-D195 IonicContact CZ-OD1 3.36Å; R190-D195 IonicContact NH1-OD1 3.99Å; R190-D195 PolarHBondContact NH1-OD1 3.47Å; R190-D195 IonicContact NH2-OD1 3.2Å; R190-D195 PolarHBondContact NH2-OD1 2.82Å; R190-Y198 HydrophobicContact CB-CD2 4.22Å; R190-Y198 HydrophobicContact CB-CE2 3.79Å; R190-Y198 HydrophobicContact CG-CE2 4.25Å
191	P	95.5	Very high	96.3	Very high	22 Å²	22	53.4 Å²	53.4	14%	0.143	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-8.9	176.8	30.2	-36.5	0	0	0	114.7	S188 V189 S612	S188-P191 WeakPolarHBondContact O-CD 3.17Å; V189-P191 VanDerWaalsContact C-CD 3.4Å; V189-P191 VanDerWaalsContact C-N 3.33Å; P191-S612 WeakPolarHBondContact CB-OG 3.28Å
192	L	95	Very high	96.3	Very high	46 Å²	46	56.8 Å²	56.8	24%	0.241	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-17.2	-171.6	-54.8	-179.5	0	0	0	113.7	V189 R190 F584 C585 L586 C607	V189-L192 WeakPolarHBondContact O-CA 3.35Å; V189-L192 WeakPolarHBondContact O-CB 3.2Å; V189-L192 PolarHBondContact O-N 2.76Å; R190-L192 VanDerWaalsContact C-N 3.26Å; R190-L192 PolarHBondContact O-N 3.42Å; L192-F584 HydrophobicContact CD2-CB 4.13Å; L192-C585 VanDerWaalsContact CD2-C 3.45Å; L192-L586 HydrophobicContact CD1-CB 3.98Å; L192-L586 HydrophobicContact CD1-CD1 3.72Å; L192-L586 HydrophobicContact CD1-CG 4.44Å; L192-C607 HydrophobicContact CD2-CB 4.4Å; L192-C607 VanDerWaalsContact CD2-SG 3.58Å
193	V	94.3	Very high	96.2	Very high	40 Å²	40	63.4 Å²	63.4	24%	0.242	31%	0.309	C	S	.	.	S	Bend	trans	-130.6	159.7	-172.2	-59.8	0	0	0	0	110.8	V189 E197 Y198	V189-V193 PolarHBondContact O-N 2.68Å; V193-E197 HydrophobicContact CB-CB 3.85Å; V193-E197 WeakPolarHBondContact CB-OE2 3.44Å; V193-E197 HydrophobicContact CG1-CB 4.47Å; V193-E197 HydrophobicContact CG2-CB 4.38Å; V193-Y198 HydrophobicContact CG2-CD2 4.17Å
194	D	95.4	Very high	96.2	Very high	90 Å²	90	58.9 Å²	58.9	48%	0.481	29%	0.29	S	S	.	.			trans	-78.5	179.7	173.8	72.2	32.2	0	0	0	112.8	A196 E197 Y198	D194-A196 PolarHBondContact OD1-N 2.81Å; D194-E197 PolarHBondContact N-OE2 2.64Å; D194-E197 WeakPolarHBondContact OD1-CB 3.36Å; D194-E197 WeakPolarHBondContact OD1-CG 3.37Å; D194-E197 PolarHBondContact OD1-N 3.2Å; D194-Y198 WeakPolarHBondContact O-CB 3.43Å; D194-Y198 PolarHBondContact O-N 2.97Å
195	D	96.5	Very high	96.2	Very high	103 Å²	103	56.9 Å²	56.9	55%	0.551	28%	0.283	S	S	*	.	H	α-helix	trans	-64.6	-40	-179	-75.3	-35.3	0	0	0	113.5	R190 Y198 E199	R190-D195 IonicContact CZ-OD1 3.36Å; R190-D195 IonicContact NH1-OD1 3.99Å; R190-D195 PolarHBondContact NH1-OD1 3.47Å; R190-D195 IonicContact NH2-OD1 3.2Å; R190-D195 PolarHBondContact NH2-OD1 2.82Å; D195-Y198 PolarHBondContact O-N 2.8Å; D195-E199 WeakPolarHBondContact O-CG 3.08Å; D195-E199 PolarHBondContact O-N 3.33Å
196	A	96.8	Very high	96.1	Very high	69 Å²	69	59.1 Å²	59.1	57%	0.57	30%	0.302	S	S	*	.	H	α-helix	trans	-69.9	-43.3	-177.9	0	0	0	0	0	111	D194 R200	D194-A196 PolarHBondContact OD1-N 2.81Å; A196-R200 PolarHBondContact O-N 3Å; A196-R200 VanDerWaalsContact O-N 3.1Å
197	E	94.6	Very high	96.1	Very high	91 Å²	91	64.1 Å²	64.1	43%	0.425	33%	0.325	S	S	.	.	H	α-helix	trans	-63.4	-44.6	173.3	-71	-176.9	145.4	0	0	111.3	V193 D194 E199 R200 T201	V193-E197 HydrophobicContact CB-CB 3.85Å; V193-E197 WeakPolarHBondContact CB-OE2 3.44Å; V193-E197 HydrophobicContact CG1-CB 4.47Å; V193-E197 HydrophobicContact CG2-CB 4.38Å; D194-E197 PolarHBondContact N-OE2 2.64Å; D194-E197 WeakPolarHBondContact OD1-CB 3.36Å; D194-E197 WeakPolarHBondContact OD1-CG 3.37Å; D194-E197 PolarHBondContact OD1-N 3.2Å; E197-E199 PolarHBondContact O-N 3Å; E197-R200 WeakPolarHBondContact O-CB 3.21Å; E197-R200 PolarHBondContact O-N 3.13Å; E197-T201 PolarHBondContact O-N 2.94Å; E197-T201 PolarHBondContact O-OG1 3.5Å; E197-T201 VanDerWaalsContact O-OG1 3.11Å
198	Y	96.2	Very high	96.1	Very high	56 Å²	56	61.1 Å²	61.1	22%	0.22	31%	0.311	C	S	.	.	H	α-helix	trans	-60.7	-44.2	177.8	-173.4	-101.9	0	0	0	112.3	L186 V189 R190 V193 D194 D195 R200 T201 N202	L186-Y198 HydrophobicContact CB-CE2 4.42Å; L186-Y198 WeakPolarHBondContact O-CE2 3.06Å; V189-Y198 HydrophobicContact CG2-CD2 4.46Å; V189-Y198 HydrophobicContact CG2-CE2 4.42Å; R190-Y198 HydrophobicContact CB-CD2 4.22Å; R190-Y198 HydrophobicContact CB-CE2 3.79Å; R190-Y198 HydrophobicContact CG-CE2 4.25Å; V193-Y198 HydrophobicContact CG2-CD2 4.17Å; D194-Y198 WeakPolarHBondContact O-CB 3.43Å; D194-Y198 PolarHBondContact O-N 2.97Å; D195-Y198 PolarHBondContact O-N 2.8Å; Y198-R200 VanDerWaalsContact C-N 3.31Å; Y198-R200 PolarHBondContact O-N 2.95Å; Y198-T201 PolarHBondContact O-N 2.69Å; Y198-N202 VanDerWaalsContact O-CB 3.25Å; Y198-N202 WeakPolarHBondContact O-CB 3.08Å; Y198-N202 PolarHBondContact O-N 2.97Å
199	E	97.1	Very high	96	Very high	116 Å²	116	63.3 Å²	63.3	54%	0.542	32%	0.32	S	S	.	.	H	α-helix	trans	-61.2	-40.4	175.5	-78.5	-173.8	-174.2	0	0	112.1	D195 E197 N202 K203	D195-E199 WeakPolarHBondContact O-CG 3.08Å; D195-E199 PolarHBondContact O-N 3.33Å; E197-E199 PolarHBondContact O-N 3Å; E199-N202 PolarHBondContact O-N 2.9Å; E199-K203 WeakPolarHBondContact O-CG 3.36Å; E199-K203 PolarHBondContact O-N 3.03Å
200	R	96.1	Very high	95.9	Very high	115 Å²	115	66.4 Å²	66.4	43%	0.434	34%	0.342	S	S	.	.	H	α-helix	trans	-63	-49.5	175.5	-171.9	-172.5	64.6	68.5	11.6	111.1	A196 E197 Y198 N202 K203 L204 E674	A196-R200 PolarHBondContact O-N 3Å; A196-R200 VanDerWaalsContact O-N 3.1Å; E197-R200 WeakPolarHBondContact O-CB 3.21Å; E197-R200 PolarHBondContact O-N 3.13Å; Y198-R200 VanDerWaalsContact C-N 3.31Å; Y198-R200 PolarHBondContact O-N 2.95Å; R200-N202 VanDerWaalsContact C-N 3.29Å; R200-N202 PolarHBondContact O-N 2.75Å; R200-K203 PolarHBondContact O-N 3.09Å; R200-L204 PolarHBondContact O-N 3.37Å; R200-L204 VanDerWaalsContact O-N 3.1Å; R200-E674 IonicContact CZ-OE1 2.63Å; R200-E674 IonicContact CZ-OE2 2.69Å; R200-E674 IonicContact NH1-OE1 3.14Å; R200-E674 IonicContact NH1-OE2 3.42Å; R200-E674 PolarHBondContact NH1-OE2 2.9Å; R200-E674 IonicContact NH2-OE1 2.78Å; R200-E674 PolarHBondContact NH2-OE1 2.89Å; R200-E674 IonicContact NH2-OE2 3.38Å; R200-E674 PolarHBondContact NH2-OE2 2.95Å; R200-E674 VanDerWaalsContact NH2-OE2 3.13Å
201	T	95.3	Very high	95.7	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.012	35%	0.349	C	S	.	.	H	α-helix	trans	-62	-38	177.5	-56.5	0	0	0	0	111.3	Y185 L186 E197 Y198 L204 A205 E674	Y185-T201 HydrophobicContact CE1-CG2 3.66Å; L186-T201 HydrophobicContact CD2-CG2 4.02Å; E197-T201 PolarHBondContact O-N 2.94Å; E197-T201 PolarHBondContact O-OG1 3.5Å; E197-T201 VanDerWaalsContact O-OG1 3.11Å; Y198-T201 PolarHBondContact O-N 2.69Å; T201-L204 PolarHBondContact O-N 2.78Å; T201-A205 WeakPolarHBondContact O-CB 3.28Å; T201-A205 PolarHBondContact O-N 3.32Å; T201-E674 PolarHBondContact OG1-OE1 3.4Å
202	N	96.6	Very high	95.7	Very high	73 Å²	73	65.9 Å²	65.9	39%	0.39	35%	0.349	S	S	.	.	H	α-helix	trans	-63.8	-40.9	176.1	-173.8	50.5	0	0	0	112.4	L186 Y198 E199 R200 A205 A206	L186-N202 WeakPolarHBondContact CD1-OD1 3.45Å; L186-N202 HydrophobicContact CD2-CB 4.38Å; Y198-N202 VanDerWaalsContact O-CB 3.25Å; Y198-N202 WeakPolarHBondContact O-CB 3.08Å; Y198-N202 PolarHBondContact O-N 2.97Å; E199-N202 PolarHBondContact O-N 2.9Å; R200-N202 VanDerWaalsContact C-N 3.29Å; R200-N202 PolarHBondContact O-N 2.75Å; N202-A205 PolarHBondContact O-N 3.39Å; N202-A206 WeakPolarHBondContact O-CB 3.14Å; N202-A206 PolarHBondContact O-N 2.82Å
203	K	97.1	Very high	95.7	Very high	142 Å²	142	63.7 Å²	63.7	62%	0.617	34%	0.338	S	S	*	.	H	α-helix	trans	-61.7	-48.5	174.1	-73.1	170	-175	169.2	0	111.5	E199 R200 A205 A206 E207	E199-K203 WeakPolarHBondContact O-CG 3.36Å; E199-K203 PolarHBondContact O-N 3.03Å; R200-K203 PolarHBondContact O-N 3.09Å; K203-A205 VanDerWaalsContact C-N 3.33Å; K203-A205 PolarHBondContact O-N 2.95Å; K203-A206 PolarHBondContact O-N 2.97Å; K203-E207 PolarHBondContact O-N 2.77Å
204	L	96.9	Very high	95.6	Very high	33 Å²	33	68.5 Å²	68.5	17%	0.173	36%	0.355	C	S	.	.	H	α-helix	trans	-61.7	-40.7	177.8	-67.9	180	0	0	0	112.4	R200 T201 F208 P670 F671 E674	R200-L204 PolarHBondContact O-N 3.37Å; R200-L204 VanDerWaalsContact O-N 3.1Å; T201-L204 PolarHBondContact O-N 2.78Å; L204-F208 WeakPolarHBondContact O-CB 3.47Å; L204-F208 PolarHBondContact O-N 3.06Å; L204-P670 HydrophobicContact CD1-CB 4.5Å; L204-P670 HydrophobicContact CD2-CB 4.08Å; L204-F671 HydrophobicContact CB-CB 4.26Å; L204-F671 HydrophobicContact CB-CD2 4.44Å; L204-E674 VanDerWaalsContact CD1-OE2 3.24Å; L204-E674 WeakPolarHBondContact CD1-OE2 3.36Å
205	A	96.9	Very high	95.6	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-62.3	-45.1	176.3	0	0	0	0	0	112.4	V182 L186 T201 N202 K203 F208 E209 F671	V182-A205 HydrophobicContact CG1-CB 3.69Å; L186-A205 HydrophobicContact CD1-CB 4.05Å; L186-A205 HydrophobicContact CD2-CB 4.03Å; L186-A205 HydrophobicContact CG-CB 4.28Å; T201-A205 WeakPolarHBondContact O-CB 3.28Å; T201-A205 PolarHBondContact O-N 3.32Å; N202-A205 PolarHBondContact O-N 3.39Å; K203-A205 VanDerWaalsContact C-N 3.33Å; K203-A205 PolarHBondContact O-N 2.95Å; A205-F208 PolarHBondContact O-N 3.37Å; A205-E209 WeakPolarHBondContact O-CB 3.38Å; A205-E209 PolarHBondContact O-N 3.36Å; A205-F671 HydrophobicContact CB-CD2 4Å; A205-F671 HydrophobicContact CB-CE2 3.7Å; A205-F671 HydrophobicContact CB-CZ 4.41Å
206	A	96.6	Very high	95.7	Very high	52 Å²	52	65.6 Å²	65.6	43%	0.43	33%	0.33	S	S	.	.	H	α-helix	trans	-66.3	-40.7	178.2	0	0	0	0	0	112.2	N202 K203 E209 S210	N202-A206 WeakPolarHBondContact O-CB 3.14Å; N202-A206 PolarHBondContact O-N 2.82Å; K203-A206 PolarHBondContact O-N 2.97Å; A206-E209 PolarHBondContact O-N 2.73Å; A206-S210 WeakPolarHBondContact O-CB 3.04Å; A206-S210 PolarHBondContact O-N 2.71Å; A206-S210 PolarHBondContact O-OG 2.89Å
207	E	96.1	Very high	95.7	Very high	121 Å²	121	63 Å²	63	57%	0.565	31%	0.306	S	S	*	.	H	α-helix	trans	-62.2	-45.9	173.7	-172.1	179.8	179.2	0	0	110.9	K203 E209 S210 S211	K203-E207 PolarHBondContact O-N 2.77Å; E207-E209 PolarHBondContact O-N 2.69Å; E207-S210 PolarHBondContact O-N 2.98Å; E207-S210 PolarHBondContact O-OG 3.18Å; E207-S211 WeakPolarHBondContact O-CB 3.3Å; E207-S211 PolarHBondContact O-N 3.38Å; E207-S211 PolarHBondContact O-OG 3.08Å
208	F	97.4	Very high	95.8	Very high	6 Å²	6	66 Å²	66	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-60.3	-47	176.9	177.5	-103.9	0	0	0	112.5	V178 V182 L204 A205 S210 L212 G213 L216 L658 S669 F671 L672	V178-F208 HydrophobicContact CG1-CD1 4.39Å; V178-F208 HydrophobicContact CG1-CE1 4.02Å; V182-F208 HydrophobicContact CG2-CD1 4.2Å; L204-F208 WeakPolarHBondContact O-CB 3.47Å; L204-F208 PolarHBondContact O-N 3.06Å; A205-F208 PolarHBondContact O-N 3.37Å; F208-S210 PolarHBondContact O-N 3.17Å; F208-L212 HydrophobicContact CD2-CB 4.25Å; F208-L212 HydrophobicContact CE2-CB 4.39Å; F208-L212 HydrophobicContact CE2-CD2 4.39Å; F208-L212 HydrophobicContact CE2-CG 4.32Å; F208-L212 PolarHBondContact O-N 2.77Å; F208-G213 WeakPolarHBondContact O-CA 3.44Å; F208-G213 PolarHBondContact O-N 2.87Å; F208-L216 HydrophobicContact CE2-CD1 3.79Å; F208-L216 HydrophobicContact CZ-CD1 4.06Å; F208-L658 HydrophobicContact CE1-CD1 4.32Å; F208-L658 HydrophobicContact CZ-CD1 4.2Å; F208-S669 WeakPolarHBondContact CD2-OG 3.33Å; F208-F671 HydrophobicContact CB-CB 3.91Å; F208-F671 HydrophobicContact CB-CD1 3.86Å; F208-F671 HydrophobicContact CB-CG 3.99Å; F208-F671 AromaticContact CD1-CD1 3.45Å; F208-F671 HydrophobicContact CD1-CD1 3.45Å; F208-F671 VanDerWaalsContact CD1-CD1 3.45Å; F208-F671 AromaticContact CD1-CE1 3.69Å; F208-F671 HydrophobicContact CD1-CE1 3.69Å; F208-F671 HydrophobicContact CD1-CG 4.4Å; F208-F671 HydrophobicContact CD2-CD1 4.12Å; F208-F671 AromaticContact CE1-CD1 3.99Å; F208-F671 HydrophobicContact CE1-CD1 3.99Å; F208-F671 HydrophobicContact CE1-CE1 4.04Å; F208-F671 HydrophobicContact CG-CB 4.25Å; F208-F671 AromaticContact CG-CD1 3.52Å; F208-F671 HydrophobicContact CG-CD1 3.52Å; F208-F671 HydrophobicContact CG-CE1 4.24Å; F208-F671 HydrophobicContact CG-CG 4.14Å; F208-L672 HydrophobicContact CD2-CG 4.44Å; F208-L672 HydrophobicContact CE1-CD2 4.37Å; F208-L672 HydrophobicContact CE2-CD1 3.66Å; F208-L672 HydrophobicContact CE2-CD2 4.23Å; F208-L672 HydrophobicContact CE2-CG 3.8Å; F208-L672 HydrophobicContact CZ-CD1 3.9Å; F208-L672 HydrophobicContact CZ-CD2 3.89Å; F208-L672 HydrophobicContact CZ-CG 3.99Å
209	E	95.2	Very high	95.7	Very high	60 Å²	60	67.3 Å²	67.3	28%	0.28	32%	0.319	S	S	.	.	H	α-helix	trans	-62.6	-41	179.5	-175.2	-178.1	156.5	0	0	112.2	V178 K179 A205 A206 E207	V178-E209 HydrophobicContact CG1-CG 4.44Å; K179-E209 WeakPolarHBondContact CB-OE1 3.13Å; K179-E209 VanDerWaalsContact CG-OE1 3.25Å; K179-E209 WeakPolarHBondContact CG-OE1 3.47Å; A205-E209 WeakPolarHBondContact O-CB 3.38Å; A205-E209 PolarHBondContact O-N 3.36Å; A206-E209 PolarHBondContact O-N 2.73Å; E207-E209 PolarHBondContact O-N 2.69Å
210	S	93.4	Very high	95.6	Very high	76 Å²	76	61.8 Å²	61.8	53%	0.531	29%	0.293	S	S	.	.	H	α-helix	trans	-74.7	-30.6	-176.7	59	0	0	0	0	113.2	A206 E207 F208 K214	A206-S210 WeakPolarHBondContact O-CB 3.04Å; A206-S210 PolarHBondContact O-N 2.71Å; A206-S210 PolarHBondContact O-OG 2.89Å; E207-S210 PolarHBondContact O-N 2.98Å; E207-S210 PolarHBondContact O-OG 3.18Å; F208-S210 PolarHBondContact O-N 3.17Å; S210-K214 PolarHBondContact O-NZ 3.46Å
211	S	91	Very high	95.6	Very high	66 Å²	66	61.9 Å²	61.9	46%	0.462	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-100.4	-174.4	67.8	0	0	0	0	113.2	E207 G213 K214	E207-S211 WeakPolarHBondContact O-CB 3.3Å; E207-S211 PolarHBondContact O-N 3.38Å; E207-S211 PolarHBondContact O-OG 3.08Å; S211-G213 VanDerWaalsContact C-N 3.32Å; S211-G213 PolarHBondContact O-N 2.87Å; S211-K214 PolarHBondContact O-N 2.97Å
212	L	94.4	Very high	95.5	Very high	26 Å²	26	65 Å²	65	14%	0.136	31%	0.313	C	S	.	.	H	α-helix	trans	-61.2	-35.4	-168.2	-177.5	59.6	0	0	0	113	F208 K214 R215 L216 V667	F208-L212 HydrophobicContact CD2-CB 4.25Å; F208-L212 HydrophobicContact CE2-CB 4.39Å; F208-L212 HydrophobicContact CE2-CD2 4.39Å; F208-L212 HydrophobicContact CE2-CG 4.32Å; F208-L212 PolarHBondContact O-N 2.77Å; L212-K214 VanDerWaalsContact C-N 3.29Å; L212-K214 PolarHBondContact O-N 2.89Å; L212-R215 WeakPolarHBondContact O-CB 3.28Å; L212-R215 PolarHBondContact O-N 3.29Å; L212-L216 HydrophobicContact CD1-CD1 4.32Å; L212-L216 HydrophobicContact CD1-CD2 4.06Å; L212-L216 HydrophobicContact CD1-CG 3.97Å; L212-L216 HydrophobicContact CD2-CD1 4.15Å; L212-L216 HydrophobicContact CG-CD1 3.77Å; L212-L216 HydrophobicContact CG-CD2 4.42Å; L212-L216 HydrophobicContact CG-CG 3.89Å; L212-L216 WeakPolarHBondContact O-CG 3.45Å; L212-L216 PolarHBondContact O-N 2.78Å; L212-V667 HydrophobicContact CD1-CB 4.46Å; L212-V667 HydrophobicContact CD1-CG1 3.87Å; L212-V667 HydrophobicContact CD2-CG1 3.85Å
213	G	95.2	Very high	95.3	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-55.3	-41	-177.8	0	0	0	0	0	113	F208 S211 R215 L216 Q217	F208-G213 WeakPolarHBondContact O-CA 3.44Å; F208-G213 PolarHBondContact O-N 2.87Å; S211-G213 VanDerWaalsContact C-N 3.32Å; S211-G213 PolarHBondContact O-N 2.87Å; G213-R215 PolarHBondContact O-N 3.3Å; G213-L216 PolarHBondContact O-N 3.42Å; G213-Q217 WeakPolarHBondContact O-CB 3.47Å; G213-Q217 PolarHBondContact O-N 3.43Å
214	K	93.8	Very high	95.1	Very high	141 Å²	141	57.5 Å²	57.5	61%	0.613	28%	0.281	S	S	*	.	H	α-helix	trans	-64.2	-40.7	177.2	-68	174.6	-174.3	162.8	0	112.4	S210 S211 L212 W218	S210-K214 PolarHBondContact O-NZ 3.46Å; S211-K214 PolarHBondContact O-N 2.97Å; L212-K214 VanDerWaalsContact C-N 3.29Å; L212-K214 PolarHBondContact O-N 2.89Å; K214-W218 PolarHBondContact O-N 3.06Å
215	R	95.4	Very high	94.8	Very high	133 Å²	133	62.6 Å²	62.6	50%	0.502	31%	0.307	S	S	.	.	H	α-helix	trans	-66.5	-48.2	178.5	-176.8	177.7	176.4	-168.7	-3.1	110.7	L212 G213 Q217 W218 Y219	L212-R215 WeakPolarHBondContact O-CB 3.28Å; L212-R215 PolarHBondContact O-N 3.29Å; G213-R215 PolarHBondContact O-N 3.3Å; R215-Q217 VanDerWaalsContact C-N 3.34Å; R215-Q217 PolarHBondContact O-N 3.29Å; R215-W218 WeakPolarHBondContact O-CB 3.35Å; R215-W218 PolarHBondContact O-N 2.84Å; R215-Y219 HydrophobicContact CG-CE2 4.08Å; R215-Y219 VanDerWaalsContact O-CD2 3.28Å; R215-Y219 WeakPolarHBondContact O-CD2 3.43Å; R215-Y219 PolarHBondContact O-N 3.12Å
216	L	96.8	Very high	94.5	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-62.8	-41.7	178.3	-59.6	-179.6	0	0	0	111.7	F208 L212 G213 W218 Y219 L220 L658 V661 L665 L672	F208-L216 HydrophobicContact CE2-CD1 3.79Å; F208-L216 HydrophobicContact CZ-CD1 4.06Å; L212-L216 HydrophobicContact CD1-CD1 4.32Å; L212-L216 HydrophobicContact CD1-CD2 4.06Å; L212-L216 HydrophobicContact CD1-CG 3.97Å; L212-L216 HydrophobicContact CD2-CD1 4.15Å; L212-L216 HydrophobicContact CG-CD1 3.77Å; L212-L216 HydrophobicContact CG-CD2 4.42Å; L212-L216 HydrophobicContact CG-CG 3.89Å; L212-L216 WeakPolarHBondContact O-CG 3.45Å; L212-L216 PolarHBondContact O-N 2.78Å; G213-L216 PolarHBondContact O-N 3.42Å; L216-W218 VanDerWaalsContact C-N 3.25Å; L216-W218 PolarHBondContact O-N 2.93Å; L216-Y219 PolarHBondContact O-N 2.84Å; L216-L220 PolarHBondContact O-N 2.79Å; L216-L658 HydrophobicContact CB-CD2 3.64Å; L216-L658 HydrophobicContact CD1-CB 4.4Å; L216-V661 HydrophobicContact CB-CG1 4.35Å; L216-V661 HydrophobicContact CD2-CB 4.2Å; L216-V661 HydrophobicContact CD2-CG1 3.65Å; L216-L665 HydrophobicContact CD2-CD1 3.76Å; L216-L672 HydrophobicContact CD1-CD1 3.8Å
217	Q	97.2	Very high	94.2	Very high	14 Å²	14	71.7 Å²	71.7	7%	0.065	34%	0.336	C	S	.	.	H	α-helix	trans	-57.4	-38	175.9	-173.9	68.9	6.5	0	0	112.6	P176 V178 G213 R215 L220 K221 H654	P176-Q217 PolarHBondContact O-NE2 3.43Å; V178-Q217 HydrophobicContact CG2-CB 3.73Å; V178-Q217 HydrophobicContact CG2-CG 3.93Å; V178-Q217 VanDerWaalsContact CG2-OE1 3.3Å; G213-Q217 WeakPolarHBondContact O-CB 3.47Å; G213-Q217 PolarHBondContact O-N 3.43Å; R215-Q217 VanDerWaalsContact C-N 3.34Å; R215-Q217 PolarHBondContact O-N 3.29Å; Q217-L220 PolarHBondContact O-N 3.07Å; Q217-K221 HydrophobicContact CG-CD 4.37Å; Q217-K221 WeakPolarHBondContact O-CB 3.38Å; Q217-K221 WeakPolarHBondContact O-CG 3.32Å; Q217-K221 PolarHBondContact O-N 3.18Å; Q217-H654 PolarHBondContact OE1-CE1 3.17Å; Q217-H654 PolarHBondContact OE1-NE2 2.96Å
218	W	96.1	Very high	93.9	Very high	154 Å²	154	67.9 Å²	67.9	58%	0.583	32%	0.322	S	S	*	.	H	α-helix	trans	-63.4	-47	179.7	-177	91.6	0	0	0	111.6	K214 R215 L216 L220 K221 L222	K214-W218 PolarHBondContact O-N 3.06Å; R215-W218 WeakPolarHBondContact O-CB 3.35Å; R215-W218 PolarHBondContact O-N 2.84Å; L216-W218 VanDerWaalsContact C-N 3.25Å; L216-W218 PolarHBondContact O-N 2.93Å; W218-L220 VanDerWaalsContact C-N 3.31Å; W218-L220 PolarHBondContact O-N 2.94Å; W218-K221 PolarHBondContact O-N 3.28Å; W218-L222 HydrophobicContact CH2-CD2 4.1Å; W218-L222 HydrophobicContact CZ3-CD2 4.09Å; W218-L222 PolarHBondContact O-N 3.35Å
219	Y	95.2	Very high	93.8	Very high	83 Å²	83	67.9 Å²	67.9	33%	0.325	32%	0.323	S	S	.	.	H	α-helix	trans	-64	-37.3	175.1	-72.3	-77.3	0	0	0	112.2	R215 L216 L222 K223 V661 L665	R215-Y219 HydrophobicContact CG-CE2 4.08Å; R215-Y219 VanDerWaalsContact O-CD2 3.28Å; R215-Y219 WeakPolarHBondContact O-CD2 3.43Å; R215-Y219 PolarHBondContact O-N 3.12Å; L216-Y219 PolarHBondContact O-N 2.84Å; Y219-L222 WeakPolarHBondContact O-CB 3.33Å; Y219-L222 PolarHBondContact O-N 3.15Å; Y219-K223 PolarHBondContact O-N 2.8Å; Y219-V661 HydrophobicContact CD2-CG1 4.23Å; Y219-V661 HydrophobicContact CG-CG1 4.23Å; Y219-L665 HydrophobicContact CD2-CD1 3.86Å; Y219-L665 HydrophobicContact CD2-CD2 4.5Å; Y219-L665 HydrophobicContact CE1-CD2 4.44Å; Y219-L665 HydrophobicContact CE2-CD1 3.67Å; Y219-L665 HydrophobicContact CE2-CD2 3.96Å; Y219-L665 HydrophobicContact CE2-CG 4.44Å
220	L	94.3	Very high	93.9	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-66.3	-41.6	178.2	-168.8	58.4	0	0	0	112.1	V175 L216 Q217 W218 L222 K223 A224 Y230 W234 H654 C657 L658	V175-L220 HydrophobicContact CG1-CD2 3.74Å; V175-L220 HydrophobicContact CG1-CG 3.94Å; L216-L220 PolarHBondContact O-N 2.79Å; Q217-L220 PolarHBondContact O-N 3.07Å; W218-L220 VanDerWaalsContact C-N 3.31Å; W218-L220 PolarHBondContact O-N 2.94Å; L220-L222 VanDerWaalsContact C-N 3.32Å; L220-L222 PolarHBondContact O-N 3.14Å; L220-K223 PolarHBondContact O-N 2.93Å; L220-A224 PolarHBondContact O-N 3.15Å; L220-Y230 HydrophobicContact CD1-CD2 3.5Å; L220-Y230 HydrophobicContact CD1-CE2 4.04Å; L220-Y230 HydrophobicContact CD1-CG 4.36Å; L220-Y230 HydrophobicContact CD2-CD2 4.32Å; L220-Y230 HydrophobicContact CD2-CE2 4.03Å; L220-Y230 HydrophobicContact CG-CD2 4.02Å; L220-Y230 HydrophobicContact CG-CE2 4.21Å; L220-W234 HydrophobicContact CD1-CZ3 4.03Å; L220-H654 VanDerWaalsContact CD2-CD2 3.46Å; L220-H654 WeakPolarHBondContact CD2-CD2 3.31Å; L220-C657 HydrophobicContact CD1-CB 3.71Å; L220-C657 HydrophobicContact CD2-CB 3.96Å; L220-L658 HydrophobicContact CD2-CD2 4.15Å; L220-L658 HydrophobicContact CD2-CG 4.37Å
221	K	96.2	Very high	94	Very high	118 Å²	118	62 Å²	62	51%	0.513	29%	0.287	S	S	.	.	H	α-helix	trans	-61.6	-40.6	171.4	-75.1	178.1	177.5	-177.5	0	111.6	Q217 W218 A224 L225	Q217-K221 HydrophobicContact CG-CD 4.37Å; Q217-K221 WeakPolarHBondContact O-CB 3.38Å; Q217-K221 WeakPolarHBondContact O-CG 3.32Å; Q217-K221 PolarHBondContact O-N 3.18Å; W218-K221 PolarHBondContact O-N 3.28Å; K221-A224 PolarHBondContact O-N 3.13Å; K221-L225 WeakPolarHBondContact O-CG 3.37Å; K221-L225 PolarHBondContact O-N 3.13Å; K221-L225 VanDerWaalsContact O-N 3.17Å
222	L	93.6	Very high	94	Very high	67 Å²	67	59.7 Å²	59.7	35%	0.351	27%	0.271	S	S	.	.	H	α-helix	trans	-59	-50.3	174.3	-175.4	63.9	0	0	0	110.2	W218 Y219 L220 A224 L225	W218-L222 HydrophobicContact CH2-CD2 4.1Å; W218-L222 HydrophobicContact CZ3-CD2 4.09Å; W218-L222 PolarHBondContact O-N 3.35Å; Y219-L222 WeakPolarHBondContact O-CB 3.33Å; Y219-L222 PolarHBondContact O-N 3.15Å; L220-L222 VanDerWaalsContact C-N 3.32Å; L220-L222 PolarHBondContact O-N 3.14Å; L222-A224 VanDerWaalsContact C-N 3.29Å; L222-A224 PolarHBondContact O-N 2.79Å; L222-L225 WeakPolarHBondContact O-CB 3.36Å; L222-L225 PolarHBondContact O-N 2.89Å
223	K	93.2	Very high	93.9	Very high	35 Å²	35	62.2 Å²	62.2	15%	0.152	29%	0.285	C	S	.	.	H	α-helix	trans	-55.7	-42.3	175.1	176.3	170.5	162.5	66.5	0	112.3	Y219 L220 L225 W226 A227 Y230 D233 W234	Y219-K223 PolarHBondContact O-N 2.8Å; L220-K223 PolarHBondContact O-N 2.93Å; K223-L225 PolarHBondContact O-N 3.11Å; K223-W226 PolarHBondContact O-N 3.34Å; K223-A227 HydrophobicContact CG-CB 4.28Å; K223-A227 VanDerWaalsContact O-CB 3.28Å; K223-A227 WeakPolarHBondContact O-CB 3.34Å; K223-A227 PolarHBondContact O-N 2.84Å; K223-Y230 WeakPolarHBondContact CE-O 3.36Å; K223-D233 IonicContact NZ-OD1 3.25Å; K223-D233 PolarHBondContact NZ-OD1 3.46Å; K223-D233 IonicContact NZ-OD2 2.92Å; K223-D233 PolarHBondContact NZ-OD2 2.64Å; K223-W234 HydrophobicContact CD-CD2 4.23Å; K223-W234 HydrophobicContact CD-CE3 4.11Å; K223-W234 HydrophobicContact CD-CH2 3.35Å; K223-W234 HydrophobicContact CD-CZ2 3.47Å; K223-W234 VanDerWaalsContact CD-CZ2 3.47Å; K223-W234 HydrophobicContact CD-CZ3 3.69Å
224	A	92.9	Very high	93.9	Very high	22 Å²	22	63.4 Å²	63.4	18%	0.182	29%	0.289	C	S	.	.	H	α-helix	trans	-66	-20.7	179.5	0	0	0	0	0	114.5	V175 L220 K221 L222 Y230	V175-A224 HydrophobicContact CG2-CB 3.47Å; V175-A224 VanDerWaalsContact CG2-CB 3.47Å; L220-A224 PolarHBondContact O-N 3.15Å; K221-A224 PolarHBondContact O-N 3.13Å; L222-A224 VanDerWaalsContact C-N 3.29Å; L222-A224 PolarHBondContact O-N 2.79Å; A224-Y230 HydrophobicContact CB-CD1 4.29Å; A224-Y230 HydrophobicContact CB-CG 4.37Å
225	L	90.5	Very high	94	Very high	140 Å²	140	58 Å²	58	73%	0.733	27%	0.265	S	S	*	.	H	α-helix	trans	-75.5	-33.6	173.3	-68.8	170.4	0	0	0	112.5	K221 L222 K223	K221-L225 WeakPolarHBondContact O-CG 3.37Å; K221-L225 PolarHBondContact O-N 3.13Å; K221-L225 VanDerWaalsContact O-N 3.17Å; L222-L225 WeakPolarHBondContact O-CB 3.36Å; L222-L225 PolarHBondContact O-N 2.89Å; K223-L225 PolarHBondContact O-N 3.11Å
226	W	89.5	Confident	93.9	Very high	221 Å²	221	53.5 Å²	53.5	84%	0.837	25%	0.25	S	C	*	.	H	α-helix	trans	-97.5	-29.7	-175.2	-64.3	95.8	0	0	0	113.3	K223	K223-W226 PolarHBondContact O-N 3.34Å
227	A	90.4	Very high	93.7	Very high	23 Å²	23	55.9 Å²	55.9	19%	0.19	26%	0.261	C	S	.	.	S	Bend	trans	-88.4	145.2	-179.9	0	0	0	0	0	112.1	N172 K223 N229	N172-A227 PolarHBondContact ND2-O 3.17Å; K223-A227 HydrophobicContact CG-CB 4.28Å; K223-A227 VanDerWaalsContact O-CB 3.28Å; K223-A227 WeakPolarHBondContact O-CB 3.34Å; K223-A227 PolarHBondContact O-N 2.84Å; A227-N229 WeakPolarHBondContact CB-O 3.2Å; A227-N229 PolarHBondContact O-N 3.38Å
228	S	90.5	Very high	93.4	Very high	41 Å²	41	58 Å²	58	29%	0.287	27%	0.269	S	S	.	.	S	Bend	trans	-59.5	-37.3	167	38.9	0	0	0	0	111.8	E598	S228-E598 WeakPolarHBondContact CB-OE1 3.49Å; S228-E598 WeakPolarHBondContact CB-OE2 3.43Å; S228-E598 VanDerWaalsContact OG-CD 3.25Å; S228-E598 PolarHBondContact OG-OE1 3.03Å; S228-E598 PolarHBondContact OG-OE2 3.3Å
229	N	96.1	Very high	93.2	Very high	6 Å²	6	53.5 Å²	53.5	3%	0.032	26%	0.258	C	S	.	.			trans	-146.5	129.9	173.2	-167.9	-47.5	0	0	0	108.9	A227 V231 S232 R597 E598	A227-N229 WeakPolarHBondContact CB-O 3.2Å; A227-N229 PolarHBondContact O-N 3.38Å; N229-V231 VanDerWaalsContact C-N 3.27Å; N229-V231 PolarHBondContact O-N 2.68Å; N229-V231 PolarHBondContact OD1-N 2.89Å; N229-S232 WeakPolarHBondContact CB-OG 3.43Å; N229-S232 PolarHBondContact ND2-OG 2.5Å; N229-S232 PolarHBondContact OD1-N 3Å; N229-S232 PolarHBondContact OD1-OG 3.12Å; N229-R597 PolarHBondContact ND2-O 3.33Å; N229-E598 HydrophobicContact CB-CB 4.06Å
230	Y	95.6	Very high	93.2	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.016	25%	0.247	C	C	.	.	S	Bend	trans	-80.8	-5.7	-176.6	76.4	-89.3	0	0	0	113.8	L173 P174 V175 P176 L220 K223 A224 C657	L173-Y230 HydrophobicContact CB-CD1 4.34Å; L173-Y230 HydrophobicContact CB-CE1 4.1Å; L173-Y230 HydrophobicContact CD2-CD1 4.39Å; L173-Y230 HydrophobicContact CD2-CE1 3.77Å; L173-Y230 HydrophobicContact CG-CE1 3.83Å; L173-Y230 WeakPolarHBondContact O-CD1 3.45Å; L173-Y230 WeakPolarHBondContact O-CE1 3.16Å; P174-Y230 VanDerWaalsContact O-CE1 3.25Å; P174-Y230 WeakPolarHBondContact O-CE1 3.38Å; P174-Y230 PolarHBondContact O-OH 3.44Å; V175-Y230 HydrophobicContact CB-CE1 4.5Å; V175-Y230 HydrophobicContact CG2-CD1 3.85Å; V175-Y230 HydrophobicContact CG2-CE1 3.82Å; V175-Y230 HydrophobicContact CG2-CG 4.25Å; P176-Y230 WeakPolarHBondContact CD-OH 3.46Å; L220-Y230 HydrophobicContact CD1-CD2 3.5Å; L220-Y230 HydrophobicContact CD1-CE2 4.04Å; L220-Y230 HydrophobicContact CD1-CG 4.36Å; L220-Y230 HydrophobicContact CD2-CD2 4.32Å; L220-Y230 HydrophobicContact CD2-CE2 4.03Å; L220-Y230 HydrophobicContact CG-CD2 4.02Å; L220-Y230 HydrophobicContact CG-CE2 4.21Å; K223-Y230 WeakPolarHBondContact CE-O 3.36Å; A224-Y230 HydrophobicContact CB-CD1 4.29Å; A224-Y230 HydrophobicContact CB-CG 4.37Å; Y230-C657 HydrophobicContact CD2-CB 4.42Å; Y230-C657 HydrophobicContact CE2-CB 4.26Å
231	V	96.1	Very high	93.3	Very high	7 Å²	7	51.2 Å²	51.2	4%	0.042	25%	0.25	C	C	.	.	S	Bend	trans	-106.1	-42.2	-177	178.1	0	0	0	0	111.6	L173 N229 D233 W234 W235 R653	L173-V231 HydrophobicContact CD2-CB 4.08Å; L173-V231 HydrophobicContact CD2-CG2 3.52Å; N229-V231 VanDerWaalsContact C-N 3.27Å; N229-V231 PolarHBondContact O-N 2.68Å; N229-V231 PolarHBondContact OD1-N 2.89Å; V231-D233 PolarHBondContact O-N 2.88Å; V231-W234 PolarHBondContact O-N 2.51Å; V231-W235 HydrophobicContact CG1-CB 3.99Å; V231-W235 VanDerWaalsContact O-CB 3.3Å; V231-W235 WeakPolarHBondContact O-CB 3.36Å; V231-W235 PolarHBondContact O-N 2.58Å; V231-R653 HydrophobicContact CG1-CB 4.05Å; V231-R653 HydrophobicContact CG1-CG 4.1Å; V231-R653 HydrophobicContact CG2-CB 4.21Å
232	S	92.1	Very high	93.2	Very high	19 Å²	19	50.5 Å²	50.5	13%	0.133	24%	0.244	C	C	.	.	H	α-helix	trans	-61.2	-41.5	-159.2	-53.6	0	0	0	0	115.2	N229 E236 E598	N229-S232 WeakPolarHBondContact CB-OG 3.43Å; N229-S232 PolarHBondContact ND2-OG 2.5Å; N229-S232 PolarHBondContact OD1-N 3Å; N229-S232 PolarHBondContact OD1-OG 3.12Å; S232-E236 WeakPolarHBondContact O-CB 3.26Å; S232-E236 PolarHBondContact O-N 3.35Å; S232-E598 PolarHBondContact OG-O 3.2Å
233	D	92.4	Very high	93.2	Very high	79 Å²	79	48.9 Å²	48.9	42%	0.422	24%	0.243	S	C	.	.	H	α-helix	trans	-66.4	-48.4	178.5	58.9	-25	0	0	0	111.6	K223 V231 W235 E236 E237	K223-D233 IonicContact NZ-OD1 3.25Å; K223-D233 PolarHBondContact NZ-OD1 3.46Å; K223-D233 IonicContact NZ-OD2 2.92Å; K223-D233 PolarHBondContact NZ-OD2 2.64Å; V231-D233 PolarHBondContact O-N 2.88Å; D233-W235 VanDerWaalsContact C-N 3.34Å; D233-W235 PolarHBondContact O-N 2.83Å; D233-E236 PolarHBondContact O-N 3.47Å; D233-E237 WeakPolarHBondContact O-CB 3.36Å; D233-E237 PolarHBondContact O-N 3.15Å
234	W	94.9	Very high	93.3	Very high	25 Å²	25	49.8 Å²	49.8	10%	0.095	25%	0.246	C	C	.	.	H	α-helix	trans	-66.6	-35.6	176.5	-71.4	-12.1	0	0	0	112.6	L220 K223 V231 Y238 F656 C657 V660 V661 Y664	L220-W234 HydrophobicContact CD1-CZ3 4.03Å; K223-W234 HydrophobicContact CD-CD2 4.23Å; K223-W234 HydrophobicContact CD-CE3 4.11Å; K223-W234 HydrophobicContact CD-CH2 3.35Å; K223-W234 HydrophobicContact CD-CZ2 3.47Å; K223-W234 VanDerWaalsContact CD-CZ2 3.47Å; K223-W234 HydrophobicContact CD-CZ3 3.69Å; V231-W234 PolarHBondContact O-N 2.51Å; W234-Y238 HydrophobicContact CB-CD2 3.92Å; W234-Y238 HydrophobicContact CB-CE2 4.19Å; W234-Y238 AromaticContact CD1-CE2 3.77Å; W234-Y238 HydrophobicContact CG-CD2 4.25Å; W234-Y238 HydrophobicContact CG-CE2 4.01Å; W234-Y238 WeakPolarHBondContact O-CB 3.41Å; W234-Y238 VanDerWaalsContact O-CD2 3.26Å; W234-Y238 WeakPolarHBondContact O-CD2 3.35Å; W234-Y238 PolarHBondContact O-N 3.17Å; W234-F656 HydrophobicContact CB-CE1 4.04Å; W234-F656 HydrophobicContact CB-CZ 4.3Å; W234-C657 HydrophobicContact CE3-CB 4.23Å; W234-C657 HydrophobicContact CZ3-CB 4.19Å; W234-V660 HydrophobicContact CD2-CB 4.38Å; W234-V660 HydrophobicContact CD2-CG1 3.65Å; W234-V660 HydrophobicContact CE3-CB 4.04Å; W234-V660 HydrophobicContact CE3-CG1 3.75Å; W234-V660 HydrophobicContact CG-CG1 4.16Å; W234-V660 HydrophobicContact CH2-CG1 4.17Å; W234-V660 HydrophobicContact CZ2-CG1 4.07Å; W234-V660 HydrophobicContact CZ3-CB 4.26Å; W234-V660 HydrophobicContact CZ3-CG1 4.02Å; W234-V661 HydrophobicContact CH2-CG2 3.66Å; W234-V661 HydrophobicContact CZ3-CG2 3.89Å; W234-Y664 HydrophobicContact CZ2-CD2 4.31Å; W234-Y664 AromaticContact CZ2-CE2 3.86Å; W234-Y664 HydrophobicContact CZ2-CE2 3.86Å
235	W	94.6	Very high	93.4	Very high	27 Å²	27	52.4 Å²	52.4	10%	0.102	26%	0.263	C	S	.	.	H	α-helix	trans	-65.5	-46.8	176.6	-174	-111.5	0	0	0	111.4	V231 D233 V239 Y240 R653 F656	V231-W235 HydrophobicContact CG1-CB 3.99Å; V231-W235 VanDerWaalsContact O-CB 3.3Å; V231-W235 WeakPolarHBondContact O-CB 3.36Å; V231-W235 PolarHBondContact O-N 2.58Å; D233-W235 VanDerWaalsContact C-N 3.34Å; D233-W235 PolarHBondContact O-N 2.83Å; W235-V239 HydrophobicContact CD2-CB 4.23Å; W235-V239 HydrophobicContact CD2-CG2 3.86Å; W235-V239 HydrophobicContact CE3-CB 4.17Å; W235-V239 HydrophobicContact CE3-CG2 3.31Å; W235-V239 HydrophobicContact CH2-CB 4.31Å; W235-V239 HydrophobicContact CH2-CG1 3.92Å; W235-V239 HydrophobicContact CH2-CG2 3.79Å; W235-V239 HydrophobicContact CZ2-CB 4.37Å; W235-V239 HydrophobicContact CZ2-CG1 3.91Å; W235-V239 HydrophobicContact CZ2-CG2 4.28Å; W235-V239 HydrophobicContact CZ3-CB 4.24Å; W235-V239 HydrophobicContact CZ3-CG1 4.33Å; W235-V239 HydrophobicContact CZ3-CG2 3.31Å; W235-V239 VanDerWaalsContact O-CB 3.3Å; W235-V239 WeakPolarHBondContact O-CB 3.35Å; W235-V239 PolarHBondContact O-N 2.86Å; W235-Y240 AromaticContact CD1-CE2 3.86Å; W235-Y240 AromaticContact NE1-CE2 3.59Å; W235-R653 VanDerWaalsContact CH2-CZ 3.49Å; W235-F656 HydrophobicContact CE3-CD1 4.13Å; W235-F656 HydrophobicContact CE3-CE1 4.08Å; W235-F656 HydrophobicContact CE3-CZ 4.45Å
236	E	94	Very high	93.7	Very high	39 Å²	39	46.4 Å²	46.4	18%	0.182	23%	0.232	C	C	.	.	I	π-helix	trans	-59	-50	175	-172.3	173.7	119.3	0	0	110.9	S232 D233 Y240 L241 R309	S232-E236 WeakPolarHBondContact O-CB 3.26Å; S232-E236 PolarHBondContact O-N 3.35Å; D233-E236 PolarHBondContact O-N 3.47Å; E236-Y240 WeakPolarHBondContact O-CB 3.34Å; E236-Y240 PolarHBondContact O-N 2.9Å; E236-L241 HydrophobicContact CG-CD1 4.1Å; E236-L241 HydrophobicContact CG-CG 4.49Å; E236-L241 WeakPolarHBondContact O-CG 3.47Å; E236-L241 PolarHBondContact O-N 2.9Å; E236-L241 VanDerWaalsContact O-N 3.14Å; E236-R309 VanDerWaalsContact CD-NH1 3.27Å; E236-R309 IonicContact OE1-NH1 3.38Å; E236-R309 PolarHBondContact OE1-NH1 2.85Å; E236-R309 IonicContact OE2-CZ 3.75Å; E236-R309 IonicContact OE2-NH1 3.75Å; E236-R309 PolarHBondContact OE2-NH1 3.04Å; E236-R309 IonicContact OE2-NH2 3.98Å; E236-R309 PolarHBondContact OE2-NH2 2.97Å
237	E	92.2	Very high	94.1	Very high	50 Å²	50	36.1 Å²	36.1	23%	0.234	19%	0.193	C	C	.	.	I	π-helix	trans	-65.8	-58.7	-176.3	-173.9	-179.5	174.6	0	0	113	D233 L241 R242 T321	D233-E237 WeakPolarHBondContact O-CB 3.36Å; D233-E237 PolarHBondContact O-N 3.15Å; E237-L241 CarbonylContact O-C 3.31Å; E237-L241 WeakPolarHBondContact O-CA 3.44Å; E237-L241 WeakPolarHBondContact O-CB 3.21Å; E237-L241 PolarHBondContact O-N 3.31Å; E237-L241 VanDerWaalsContact O-N 3.08Å; E237-R242 HydrophobicContact CG-CG 4.3Å; E237-R242 WeakPolarHBondContact O-CG 2.97Å; E237-R242 PolarHBondContact O-N 3.28Å; E237-R242 IonicContact OE1-CZ 3.54Å; E237-R242 VanDerWaalsContact OE1-CZ 3.26Å; E237-R242 IonicContact OE1-NE 3.5Å; E237-R242 PolarHBondContact OE1-NE 3.16Å; E237-R242 IonicContact OE1-NH2 2.69Å; E237-R242 PolarHBondContact OE1-NH2 2.68Å; E237-T321 HydrophobicContact CG-CG2 4.22Å
238	Y	92.1	Very high	94.4	Very high	58 Å²	58	35 Å²	35	23%	0.227	18%	0.184	C	C	.	.	I	π-helix	trans	-82.4	-29.3	-167.5	-67.3	-73.9	0	0	0	113.6	W234 F656 V660 Y664	W234-Y238 HydrophobicContact CB-CD2 3.92Å; W234-Y238 HydrophobicContact CB-CE2 4.19Å; W234-Y238 AromaticContact CD1-CE2 3.77Å; W234-Y238 HydrophobicContact CG-CD2 4.25Å; W234-Y238 HydrophobicContact CG-CE2 4.01Å; W234-Y238 WeakPolarHBondContact O-CB 3.41Å; W234-Y238 VanDerWaalsContact O-CD2 3.26Å; W234-Y238 WeakPolarHBondContact O-CD2 3.35Å; W234-Y238 PolarHBondContact O-N 3.17Å; Y238-F656 HydrophobicContact CD2-CZ 4.21Å; Y238-F656 HydrophobicContact CG-CZ 4.41Å; Y238-V660 HydrophobicContact CD2-CG1 4.33Å; Y238-V660 HydrophobicContact CD2-CG2 4.01Å; Y238-V660 HydrophobicContact CE2-CG1 3.75Å; Y238-V660 HydrophobicContact CE2-CG2 4.26Å; Y238-Y664 PolarHBondContact OH-OH 2.94Å
239	V	91.4	Very high	94.7	Very high	60 Å²	60	33.1 Å²	33.1	36%	0.364	17%	0.171	S	C	.	.	I	π-helix	trans	-88.4	-35.3	-178.1	179	0	0	0	0	112.1	W235 F656	W235-V239 HydrophobicContact CD2-CB 4.23Å; W235-V239 HydrophobicContact CD2-CG2 3.86Å; W235-V239 HydrophobicContact CE3-CB 4.17Å; W235-V239 HydrophobicContact CE3-CG2 3.31Å; W235-V239 HydrophobicContact CH2-CB 4.31Å; W235-V239 HydrophobicContact CH2-CG1 3.92Å; W235-V239 HydrophobicContact CH2-CG2 3.79Å; W235-V239 HydrophobicContact CZ2-CB 4.37Å; W235-V239 HydrophobicContact CZ2-CG1 3.91Å; W235-V239 HydrophobicContact CZ2-CG2 4.28Å; W235-V239 HydrophobicContact CZ3-CB 4.24Å; W235-V239 HydrophobicContact CZ3-CG1 4.33Å; W235-V239 HydrophobicContact CZ3-CG2 3.31Å; W235-V239 VanDerWaalsContact O-CB 3.3Å; W235-V239 WeakPolarHBondContact O-CB 3.35Å; W235-V239 PolarHBondContact O-N 2.86Å; V239-F656 HydrophobicContact CG2-CE2 4.13Å; V239-F656 HydrophobicContact CG2-CZ 4.27Å
240	Y	94.8	Very high	94.7	Very high	23 Å²	23	35.8 Å²	35.8	9%	0.09	19%	0.186	C	C	.	.	I	π-helix	trans	-105.8	-57.2	-179.7	-55.4	-85.5	0	0	0	111.8	W235 E236 R242 G243 R315 H472	W235-Y240 AromaticContact CD1-CE2 3.86Å; W235-Y240 AromaticContact NE1-CE2 3.59Å; E236-Y240 WeakPolarHBondContact O-CB 3.34Å; E236-Y240 PolarHBondContact O-N 2.9Å; Y240-R242 PolarHBondContact O-N 2.67Å; Y240-G243 PolarHBondContact O-N 2.82Å; Y240-R315 PolarHBondContact O-NH1 3.28Å; Y240-R315 PolarHBondContact O-NH2 2.94Å; Y240-H472 HydrophobicContact CD1-CB 4.25Å; Y240-H472 HydrophobicContact CE1-CB 3.88Å; Y240-H472 AromaticContact CE1-CD2 3.98Å; Y240-H472 AromaticContact CE1-CG 3.69Å
241	L	96.3	Very high	94.7	Very high	12 Å²	12	36.6 Å²	36.6	6%	0.063	19%	0.192	C	C	.	.	I	π-helix	trans	-76.8	-22.5	-165.3	-58.6	178.9	0	0	0	114.5	E236 E237 R244 R315 T321 D322 V324	E236-L241 HydrophobicContact CG-CD1 4.1Å; E236-L241 HydrophobicContact CG-CG 4.49Å; E236-L241 WeakPolarHBondContact O-CG 3.47Å; E236-L241 PolarHBondContact O-N 2.9Å; E236-L241 VanDerWaalsContact O-N 3.14Å; E237-L241 CarbonylContact O-C 3.31Å; E237-L241 WeakPolarHBondContact O-CA 3.44Å; E237-L241 WeakPolarHBondContact O-CB 3.21Å; E237-L241 PolarHBondContact O-N 3.31Å; E237-L241 VanDerWaalsContact O-N 3.08Å; L241-R244 PolarHBondContact O-NH2 2.89Å; L241-R315 HydrophobicContact CD2-CG 4.27Å; L241-T321 HydrophobicContact CB-CG2 4.09Å; L241-D322 HydrophobicContact CB-CB 4.28Å; L241-D322 HydrophobicContact CD2-CB 3.98Å; L241-D322 PolarHBondContact O-N 2.72Å; L241-V324 HydrophobicContact CD1-CG2 4.32Å; L241-V324 HydrophobicContact CD2-CG2 3.88Å
242	R	94.9	Very high	94.8	Very high	103 Å²	103	36.3 Å²	36.3	39%	0.389	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-9.8	173.9	-67.8	-166.6	-175.6	-156.6	3.2	114.1	E237 Y240 R244 T321	E237-R242 HydrophobicContact CG-CG 4.3Å; E237-R242 WeakPolarHBondContact O-CG 2.97Å; E237-R242 PolarHBondContact O-N 3.28Å; E237-R242 IonicContact OE1-CZ 3.54Å; E237-R242 VanDerWaalsContact OE1-CZ 3.26Å; E237-R242 IonicContact OE1-NE 3.5Å; E237-R242 PolarHBondContact OE1-NE 3.16Å; E237-R242 IonicContact OE1-NH2 2.69Å; E237-R242 PolarHBondContact OE1-NH2 2.68Å; Y240-R242 PolarHBondContact O-N 2.67Å; R242-R244 PolarHBondContact O-N 2.95Å; R242-R244 PolarHBondContact O-NE 2.84Å; R242-T321 HydrophobicContact CG-CG2 3.79Å
243	G	92.6	Very high	95.1	Very high	33 Å²	33	36.1 Å²	36.1	34%	0.34	19%	0.187	S	C	.	.			trans	-60.8	129.4	169.3	0	0	0	0	0	110.5	Y240	Y240-G243 PolarHBondContact O-N 2.82Å
244	R	95.6	Very high	95.3	Very high	53 Å²	53	32.6 Å²	32.6	20%	0.2	17%	0.167	C	C	.	.			trans	-102.9	-12	-176.2	-55.8	-63.2	75.9	-168.4	-11.9	113.9	L241 R242 G318 E319 E320 D322 R387 I388	L241-R244 PolarHBondContact O-NH2 2.89Å; R242-R244 PolarHBondContact O-N 2.95Å; R242-R244 PolarHBondContact O-NE 2.84Å; R244-G318 PolarHBondContact NH1-O 3Å; R244-E319 WeakPolarHBondContact CD-O 3.41Å; R244-E319 PolarHBondContact NH1-O 2.9Å; R244-E320 VanDerWaalsContact NH1-C 3.3Å; R244-E320 PolarHBondContact NH1-O 2.84Å; R244-D322 IonicContact CZ-OD1 3.62Å; R244-D322 IonicContact NH1-OD1 3.59Å; R244-D322 PolarHBondContact NH1-OD1 3.26Å; R244-D322 IonicContact NH2-OD1 2.66Å; R244-D322 PolarHBondContact NH2-OD1 3.45Å; R244-D322 IonicContact NH2-OD2 3.94Å; R244-R387 WeakPolarHBondContact O-CG 3.37Å; R244-R387 PolarHBondContact O-N 2.9Å; R244-I388 HydrophobicContact CB-CD1 4.44Å; R244-I388 HydrophobicContact CG-CD1 4.25Å; R244-I388 HydrophobicContact CG-CG1 4.47Å
245	S	94.6	Very high	95.4	Very high	77 Å²	77	31.8 Å²	31.8	54%	0.538	17%	0.167	S	C	.	.	S	Bend	trans	-65.8	154.6	174.8	-51.7	0	0	0	0	111.7	I247 R387	S245-I247 PolarHBondContact O-N 3.16Å; S245-R387 WeakPolarHBondContact O-CG 3.17Å
246	P	97.4	Very high	95.4	Very high	14 Å²	14	30.5 Å²	30.5	9%	0.091	16%	0.162	C	C	.	.			trans	-47.4	129.9	170.2	-32.6	38.9	0	0	0	113	N250 A384 G385 V535 L539	P246-N250 WeakPolarHBondContact O-CB 3.41Å; P246-N250 PolarHBondContact O-ND2 3.11Å; P246-A384 WeakPolarHBondContact CB-O 3.42Å; P246-G385 WeakPolarHBondContact CA-O 3.47Å; P246-V535 HydrophobicContact CG-CG1 4.07Å; P246-L539 HydrophobicContact CB-CD2 3.65Å; P246-L539 HydrophobicContact CG-CD2 4.18Å
247	I	97.5	Very high	95.3	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.026	15%	0.153	C	C	.	.	H	α-helix	trans	-84.7	-20.9	-176.9	57.2	169.4	0	0	0	113.5	S245 V249 S251 N252 F452 D453 E471	S245-I247 PolarHBondContact O-N 3.16Å; I247-V249 VanDerWaalsContact C-N 3.31Å; I247-V249 PolarHBondContact O-N 2.93Å; I247-S251 PolarHBondContact O-N 3.39Å; I247-N252 PolarHBondContact O-N 3.15Å; I247-N252 PolarHBondContact O-OD1 3.45Å; I247-F452 HydrophobicContact CD1-CB 4.31Å; I247-F452 HydrophobicContact CG1-CB 4.33Å; I247-D453 WeakPolarHBondContact CD1-OD1 3.09Å; I247-E471 HydrophobicContact CD1-CG 4.27Å
248	M	96.3	Very high	95.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-49.5	-45.9	-174.7	171.5	179	81.6	0	0	113.9	A384 L443 H444 C447 F452 A536 A540	M248-A384 HydrophobicContact SD-CB 3.95Å; M248-L443 WeakPolarHBondContact O-CD1 3.42Å; M248-H444 HydrophobicContact CE-CB 3.66Å; M248-H444 HydrophobicContact CG-CB 3.61Å; M248-H444 HydrophobicContact SD-CB 3.41Å; M248-H444 WeakPolarHBondContact SD-CB 3.42Å; M248-C447 HydrophobicContact SD-CB 4.27Å; M248-F452 HydrophobicContact CB-CD1 3.99Å; M248-F452 HydrophobicContact CB-CD2 4.27Å; M248-F452 HydrophobicContact CB-CE1 4.04Å; M248-F452 HydrophobicContact CB-CE2 4.3Å; M248-F452 HydrophobicContact CB-CG 4.11Å; M248-F452 HydrophobicContact CB-CZ 4.18Å; M248-F452 HydrophobicContact CG-CD1 3.94Å; M248-F452 HydrophobicContact CG-CD2 4.42Å; M248-F452 HydrophobicContact CG-CE1 3.46Å; M248-F452 VanDerWaalsContact CG-CE1 3.46Å; M248-F452 HydrophobicContact CG-CE2 3.98Å; M248-F452 HydrophobicContact CG-CG 4.39Å; M248-F452 HydrophobicContact CG-CZ 3.47Å; M248-F452 VanDerWaalsContact CG-CZ 3.47Å; M248-F452 HydrophobicContact SD-CE1 4.13Å; M248-F452 HydrophobicContact SD-CE2 3.72Å; M248-F452 HydrophobicContact SD-CZ 3.47Å; M248-F452 WeakPolarHBondContact SD-CZ 3.29Å; M248-A536 HydrophobicContact CE-CB 4.14Å; M248-A536 WeakPolarHBondContact CE-O 2.95Å; M248-A540 HydrophobicContact CE-CB 4.03Å
249	V	96.8	Very high	95	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.012	13%	0.133	C	C	.	.	H	α-helix	trans	-105.1	-41.1	177.8	170.3	0	0	0	0	111.4	I247 S251 L443 H444 L539 V543	I247-V249 VanDerWaalsContact C-N 3.31Å; I247-V249 PolarHBondContact O-N 2.93Å; V249-S251 VanDerWaalsContact C-N 3.27Å; V249-S251 PolarHBondContact O-N 3.33Å; V249-L443 HydrophobicContact CB-CD2 4.45Å; V249-L443 HydrophobicContact CG1-CD2 4.34Å; V249-L443 HydrophobicContact CG2-CD2 4.11Å; V249-L443 HydrophobicContact CG2-CG 4.47Å; V249-H444 HydrophobicContact CG2-CB 4.43Å; V249-L539 HydrophobicContact CB-CD1 4.38Å; V249-L539 HydrophobicContact CB-CD2 3.97Å; V249-L539 HydrophobicContact CB-CG 4.04Å; V249-L539 HydrophobicContact CG1-CD1 4.43Å; V249-L539 HydrophobicContact CG2-CD2 4.21Å; V249-L539 HydrophobicContact CG2-CG 4Å; V249-V543 HydrophobicContact CB-CG2 4.41Å; V249-V543 HydrophobicContact CG1-CG2 3.51Å; V249-V543 HydrophobicContact CG2-CG2 4.06Å
250	N	96.4	Very high	94.7	Very high	62 Å²	62	24.8 Å²	24.8	33%	0.332	13%	0.131	S	C	.	.	H	α-helix	trans	-79.5	-6.8	-169.9	-54.4	-55.8	0	0	0	113.6	P246	P246-N250 WeakPolarHBondContact O-CB 3.41Å; P246-N250 PolarHBondContact O-ND2 3.11Å
251	S	96.5	Very high	94.4	Very high	21 Å²	21	24.8 Å²	24.8	15%	0.147	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.3	-46.1	-179.4	-173.2	0	0	0	0	113.7	I247 V249 H472	I247-S251 PolarHBondContact O-N 3.39Å; V249-S251 VanDerWaalsContact C-N 3.27Å; V249-S251 PolarHBondContact O-N 3.33Å; S251-H472 VanDerWaalsContact O-CB 3.25Å; S251-H472 WeakPolarHBondContact O-CB 3.33Å
252	N	98.1	Very high	94.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.			trans	-65.7	148.7	-178.4	-73	28.3	0	0	0	110.4	I247 L443 F452 N469 A470	I247-N252 PolarHBondContact O-N 3.15Å; I247-N252 PolarHBondContact O-OD1 3.45Å; N252-L443 WeakPolarHBondContact O-CD1 3.43Å; N252-F452 PolarHBondContact ND2-O 3.13Å; N252-N469 PolarHBondContact ND2-OD1 3.24Å; N252-A470 VanDerWaalsContact CA-O 3.27Å; N252-A470 WeakPolarHBondContact CA-O 3.34Å; N252-A470 WeakPolarHBondContact CB-O 3.29Å
253	Y	97.6	Very high	94.2	Very high	16 Å²	16	23.4 Å²	23.4	6%	0.063	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	164.8	174.6	59.4	-91.2	0	0	0	109.7	A470 H472 A475 A477 V480 G709	Y253-A470 HydrophobicContact CD2-CB 4.13Å; Y253-A470 HydrophobicContact CE1-CB 4.12Å; Y253-A470 HydrophobicContact CE2-CB 3.61Å; Y253-A470 PolarHBondContact N-O 3.17Å; Y253-A470 VanDerWaalsContact N-O 3.13Å; Y253-A470 PolarHBondContact O-N 3.05Å; Y253-H472 HydrophobicContact CD1-CB 3.99Å; Y253-H472 AromaticContact CD1-CD2 3.84Å; Y253-H472 AromaticContact CD1-CG 3.77Å; Y253-H472 HydrophobicContact CE1-CB 3.91Å; Y253-H472 AromaticContact CE1-CG 3.66Å; Y253-H472 AromaticContact CE1-ND1 3.72Å; Y253-A475 PolarHBondContact OH-O 3.05Å; Y253-A477 HydrophobicContact CD2-CB 4.31Å; Y253-A477 HydrophobicContact CE2-CB 3.95Å; Y253-V480 HydrophobicContact CE2-CB 4.22Å; Y253-V480 HydrophobicContact CE2-CG2 4.27Å; Y253-V480 WeakPolarHBondContact OH-CG2 3.38Å; Y253-G709 WeakPolarHBondContact CA-O 3.43Å; Y253-G709 WeakPolarHBondContact CB-O 3.3Å
254	Y	97.5	Very high	94.4	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.016	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	162.3	-178.5	69.5	-90.5	0	0	0	112.7	M256 A439 L442 L443 I468 F545 G708 G709 H733	Y254-M256 HydrophobicContact CD2-CG 4.41Å; Y254-M256 HydrophobicContact CE2-CE 3.91Å; Y254-M256 HydrophobicContact CE2-CG 4.25Å; Y254-A439 HydrophobicContact CE1-CB 4.38Å; Y254-A439 HydrophobicContact CE2-CB 3.96Å; Y254-A439 WeakPolarHBondContact OH-CB 3.32Å; Y254-L442 HydrophobicContact CD2-CB 3.91Å; Y254-L442 HydrophobicContact CD2-CD1 4.06Å; Y254-L442 HydrophobicContact CG-CB 3.94Å; Y254-L443 HydrophobicContact CD1-CB 3.72Å; Y254-L443 HydrophobicContact CD1-CD1 4.08Å; Y254-L443 HydrophobicContact CD1-CG 4.41Å; Y254-L443 HydrophobicContact CE1-CB 4.15Å; Y254-I468 CarbonylContact C-O 3.45Å; Y254-I468 WeakPolarHBondContact CA-O 3.47Å; Y254-I468 WeakPolarHBondContact CB-O 3.45Å; Y254-F545 AromaticContact CE1-CE1 3.8Å; Y254-F545 HydrophobicContact CE1-CE1 3.8Å; Y254-F545 AromaticContact CE1-CZ 3.91Å; Y254-F545 HydrophobicContact CE1-CZ 3.91Å; Y254-F545 WeakPolarHBondContact OH-CE1 3.33Å; Y254-G708 CarbonylContact O-C 3.54Å; Y254-G708 WeakPolarHBondContact O-CA 3.49Å; Y254-G709 WeakPolarHBondContact CD1-O 3.2Å; Y254-G709 VanDerWaalsContact CE1-C 3.43Å; Y254-G709 WeakPolarHBondContact CE1-O 3.48Å; Y254-G709 PolarHBondContact N-O 3.09Å; Y254-G709 PolarHBondContact O-N 3.49Å; Y254-G709 VanDerWaalsContact O-N 3.09Å; Y254-H733 AromaticContact CE2-ND1 3.74Å; Y254-H733 AromaticContact CZ-ND1 3.71Å; Y254-H733 PolarHBondContact OH-ND1 2.57Å
255	G	95.8	Very high	94.4	Very high	9 Å²	9	23.8 Å²	23.8	9%	0.093	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	144.2	171.4	0	0	0	0	0	111.5	G467 I468 G707	G255-G467 WeakPolarHBondContact O-CA 3.36Å; G255-I468 PolarHBondContact N-O 3.36Å; G255-I468 PolarHBondContact O-N 3.07Å; G255-G707 CarbonylContact C-O 3.53Å; G255-G707 WeakPolarHBondContact CA-O 3.4Å
256	M	94.3	Very high	94.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	155.8	-176	-70.1	-172.9	173.9	0	0	112.7	Y254 Y438 A439 L442 W484 V547 S705 C706 G707	Y254-M256 HydrophobicContact CD2-CG 4.41Å; Y254-M256 HydrophobicContact CE2-CE 3.91Å; Y254-M256 HydrophobicContact CE2-CG 4.25Å; M256-Y438 HydrophobicContact CB-CE1 3.87Å; M256-Y438 HydrophobicContact CE-CD1 3.77Å; M256-Y438 HydrophobicContact CE-CE1 4.33Å; M256-Y438 HydrophobicContact CE-CG 4.19Å; M256-Y438 HydrophobicContact CG-CD1 4.09Å; M256-Y438 HydrophobicContact CG-CE1 3.67Å; M256-Y438 HydrophobicContact SD-CD1 3.67Å; M256-Y438 HydrophobicContact SD-CE1 3.73Å; M256-A439 HydrophobicContact CE-CB 3.57Å; M256-L442 HydrophobicContact CB-CD1 4.43Å; M256-L442 HydrophobicContact CG-CD1 3.7Å; M256-W484 PolarHBondContact O-NE1 3.27Å; M256-V547 HydrophobicContact CE-CG1 4.44Å; M256-S705 PolarHBondContact O-OG 3.4Å; M256-C706 HydrophobicContact CB-CB 3.92Å; M256-C706 HydrophobicContact CG-CB 4.38Å; M256-C706 HydrophobicContact SD-CB 3.66Å; M256-G707 PolarHBondContact N-O 2.93Å
257	D	93.6	Very high	94.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.124	C	C	.	.			trans	-67	-173.3	169.2	-153.7	-24	0	0	0	111.4	R270 Y438 S466 L488 S705 C706	D257-R270 IonicContact OD1-NH2 3.42Å; D257-R270 PolarHBondContact OD1-NH2 2.88Å; D257-R270 IonicContact OD2-CZ 3.93Å; D257-R270 IonicContact OD2-NE 3.13Å; D257-R270 PolarHBondContact OD2-NE 3.37Å; D257-R270 IonicContact OD2-NH2 2.77Å; D257-R270 PolarHBondContact OD2-NH2 3.4Å; D257-Y438 WeakPolarHBondContact CB-OH 3.33Å; D257-Y438 PolarHBondContact N-OH 2.99Å; D257-S466 WeakPolarHBondContact CB-O 3.39Å; D257-S466 PolarHBondContact OD2-N 2.94Å; D257-S466 PolarHBondContact OD2-OG 3.03Å; D257-L488 VanDerWaalsContact OD1-CD2 3.23Å; D257-L488 WeakPolarHBondContact OD1-CD2 3.43Å; D257-S705 WeakPolarHBondContact O-CA 3.25Å; D257-C706 PolarHBondContact O-N 2.88Å
258	F	90.9	Very high	94.6	Very high	3 Å²	3	22 Å²	22	1%	0.013	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-54.3	138.1	167.1	-61.4	-58.3	0	0	0	111.5	V261 P263 K465 L488 S492 F695 Y703 I704	F258-V261 HydrophobicContact CB-CB 4.07Å; F258-V261 WeakPolarHBondContact CB-O 3.43Å; F258-V261 HydrophobicContact CD2-CB 4.42Å; F258-V261 HydrophobicContact CG-CB 4.41Å; F258-P263 HydrophobicContact CD2-CG 4.26Å; F258-P263 HydrophobicContact CE2-CG 4.32Å; F258-K465 PolarHBondContact O-NZ 2.66Å; F258-L488 HydrophobicContact CD1-CD1 4.48Å; F258-L488 HydrophobicContact CD2-CD2 4.4Å; F258-L488 HydrophobicContact CE1-CB 4.15Å; F258-L488 HydrophobicContact CE1-CD1 4.22Å; F258-L488 HydrophobicContact CE2-CB 4.08Å; F258-L488 HydrophobicContact CE2-CD2 4.11Å; F258-L488 HydrophobicContact CZ-CB 3.62Å; F258-L488 HydrophobicContact CZ-CD1 4.38Å; F258-L488 HydrophobicContact CZ-CD2 4.42Å; F258-L488 HydrophobicContact CZ-CG 4.37Å; F258-S492 WeakPolarHBondContact CE2-OG 3.47Å; F258-F695 HydrophobicContact CE1-CD1 4.46Å; F258-F695 AromaticContact CE1-CE1 3.56Å; F258-F695 HydrophobicContact CE1-CE1 3.56Å; F258-F695 HydrophobicContact CE1-CZ 4.01Å; F258-F695 AromaticContact CZ-CE1 3.68Å; F258-F695 HydrophobicContact CZ-CE1 3.68Å; F258-F695 HydrophobicContact CZ-CZ 4.12Å; F258-Y703 VanDerWaalsContact CD1-C 3.47Å; F258-Y703 HydrophobicContact CD2-CD1 4.38Å; F258-Y703 HydrophobicContact CE1-CD1 4.21Å; F258-Y703 WeakPolarHBondContact CE1-O 3.37Å; F258-Y703 AromaticContact CE2-CD1 3.98Å; F258-Y703 HydrophobicContact CE2-CD1 3.98Å; F258-Y703 AromaticContact CZ-CD1 3.87Å; F258-Y703 HydrophobicContact CZ-CD1 3.87Å; F258-I704 CarbonylContact C-O 3.18Å; F258-I704 VanDerWaalsContact CA-O 3.31Å; F258-I704 WeakPolarHBondContact CA-O 3.03Å
259	Q	85.4	Confident	94.7	Very high	5 Å²	5	22 Å²	22	2%	0.023	12%	0.123	C	C	.	.	S	Bend	trans	-66.1	-54.1	-179.5	-169.8	163.7	2.6	0	0	111.4	M426 S549 I704 C706	Q259-M426 HydrophobicContact CG-CG 3.79Å; Q259-M426 HydrophobicContact CG-SD 4.42Å; Q259-M426 WeakPolarHBondContact O-CG 3.11Å; Q259-S549 PolarHBondContact NE2-OG 2.87Å; Q259-S549 PolarHBondContact OE1-OG 3.18Å; Q259-I704 HydrophobicContact CB-CG1 4.45Å; Q259-I704 PolarHBondContact N-O 3.14Å; Q259-C706 WeakPolarHBondContact CB-SG 3.46Å; Q259-C706 WeakPolarHBondContact CG-SG 2.99Å
260	Y	85.3	Confident	94.8	Very high	79 Å²	79	21.9 Å²	21.9	31%	0.31	12%	0.122	S	C	.	.	S	Bend	trans	-103.1	-24	-171	-48.8	-63.8	0	0	0	113.6	R551 I704	Y260-R551 PolarHBondContact OH-NE 3.15Å; Y260-R551 PolarHBondContact OH-NH2 3.3Å; Y260-I704 HydrophobicContact CD2-CD1 4.38Å; Y260-I704 HydrophobicContact CD2-CG1 4.16Å; Y260-I704 HydrophobicContact CE2-CD1 3.64Å; Y260-I704 HydrophobicContact CE2-CG1 3.88Å
261	V	88.9	Confident	94.9	Very high	22 Å²	22	18.9 Å²	18.9	13%	0.133	11%	0.107	C	C	.	.			trans	-96.7	135.7	-176	-178.4	0	0	0	0	110.4	F258 P263 K465 E702 Y703	F258-V261 HydrophobicContact CB-CB 4.07Å; F258-V261 WeakPolarHBondContact CB-O 3.43Å; F258-V261 HydrophobicContact CD2-CB 4.42Å; F258-V261 HydrophobicContact CG-CB 4.41Å; V261-P263 HydrophobicContact CG1-CG 4.09Å; V261-K465 PolarHBondContact O-NZ 2.8Å; V261-E702 HydrophobicContact CG2-CB 3.84Å; V261-E702 HydrophobicContact CG2-CG 3.51Å; V261-E702 WeakPolarHBondContact CG2-O 3.41Å; V261-Y703 HydrophobicContact CB-CD1 4.38Å; V261-Y703 HydrophobicContact CB-CE1 4.33Å; V261-Y703 HydrophobicContact CG1-CD1 4.19Å; V261-Y703 HydrophobicContact CG1-CE1 3.68Å; V261-Y703 HydrophobicContact CG2-CD1 4.24Å; V261-Y703 HydrophobicContact CG2-CD2 4.24Å; V261-Y703 HydrophobicContact CG2-CE1 4.27Å; V261-Y703 HydrophobicContact CG2-CE2 4.28Å; V261-Y703 HydrophobicContact CG2-CG 4.24Å
262	T	92.4	Very high	95	Very high	56 Å²	56	17.9 Å²	17.9	34%	0.344	10%	0.1	S	C	.	.			trans	-122.6	101	165	-54.8	0	0	0	0	106.6	T264 N463 K465	T262-T264 WeakPolarHBondContact CG2-O 3.42Å; T262-T264 PolarHBondContact O-N 2.86Å; T262-T264 VanDerWaalsContact O-N 3.13Å; T262-N463 WeakPolarHBondContact CG2-O 3.32Å; T262-K465 HydrophobicContact CG2-CD 4.26Å; T262-K465 WeakPolarHBondContact OG1-CD 3.39Å; T262-K465 WeakPolarHBondContact OG1-CE 3.48Å; T262-K465 PolarHBondContact OG1-NZ 2.76Å; T262-K465 VanDerWaalsContact OG1-NZ 3.13Å
263	P	94.3	Very high	95	Very high	31 Å²	31	18 Å²	18	20%	0.201	10%	0.1	C	C	.	.	S	Bend	trans	-58.9	-28.5	-170.1	-32.7	41.3	0	0	0	115	F258 V261 R270 S492 Y497	F258-P263 HydrophobicContact CD2-CG 4.26Å; F258-P263 HydrophobicContact CE2-CG 4.32Å; V261-P263 HydrophobicContact CG1-CG 4.09Å; P263-R270 VanDerWaalsContact CG-NH1 3.25Å; P263-S492 WeakPolarHBondContact CG-OG 3.48Å; P263-Y497 HydrophobicContact CB-CD2 4.18Å; P263-Y497 HydrophobicContact CB-CE2 3.55Å
264	T	96.4	Very high	95.1	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	10%	0.097	C	C	.	.			trans	-150.5	142.9	170.2	177.3	0	0	0	0	109.2	T262 I266 A269 R270 G464 Y497 G501	T262-T264 WeakPolarHBondContact CG2-O 3.42Å; T262-T264 PolarHBondContact O-N 2.86Å; T262-T264 VanDerWaalsContact O-N 3.13Å; T264-I266 PolarHBondContact O-N 3.42Å; T264-I266 PolarHBondContact OG1-N 3Å; T264-I266 VanDerWaalsContact OG1-N 3.14Å; T264-A269 HydrophobicContact CG2-CB 4Å; T264-R270 HydrophobicContact CG2-CB 3.95Å; T264-G464 WeakPolarHBondContact O-CA 2.98Å; T264-Y497 HydrophobicContact CG2-CD1 3.9Å; T264-Y497 HydrophobicContact CG2-CE1 3.34Å; T264-Y497 HydrophobicContact CG2-CE2 4.08Å; T264-Y497 HydrophobicContact CG2-CG 4.45Å; T264-Y497 VanDerWaalsContact CG2-CZ 3.41Å; T264-G501 WeakPolarHBondContact CB-O 3.27Å; T264-G501 PolarHBondContact OG1-O 2.74Å
265	P	95.6	Very high	95.1	Very high	92 Å²	92	17 Å²	17	60%	0.597	10%	0.096	S	C	*	.	S	Bend	trans	-75.7	-10.6	171.5	32.7	-35.4	0	0	0	112.8	Q267 N463 G464	P265-Q267 PolarHBondContact O-N 2.93Å; P265-N463 WeakPolarHBondContact CA-O 3.33Å; P265-N463 CarbonylContact O-C 3.58Å; P265-G464 PolarHBondContact O-N 2.86Å
266	I	98.2	Very high	95.2	Very high	40 Å²	40	17.8 Å²	17.8	21%	0.205	10%	0.097	C	C	.	.			trans	-85.6	110.2	-174.2	-54.7	-179.7	0	0	0	109.5	T264 A268 A269 R270 E500	T264-I266 PolarHBondContact O-N 3.42Å; T264-I266 PolarHBondContact OG1-N 3Å; T264-I266 VanDerWaalsContact OG1-N 3.14Å; I266-A268 VanDerWaalsContact C-N 3.32Å; I266-A268 HydrophobicContact CG2-CB 4.45Å; I266-A268 PolarHBondContact O-N 3.14Å; I266-A269 HydrophobicContact CB-CB 3.79Å; I266-A269 HydrophobicContact CG2-CB 3.87Å; I266-A269 PolarHBondContact O-N 3.07Å; I266-A269 VanDerWaalsContact O-N 3.16Å; I266-R270 PolarHBondContact O-N 3.36Å; I266-E500 WeakPolarHBondContact CD1-O 3.36Å
267	Q	98.3	Very high	95.4	Very high	17 Å²	17	17.8 Å²	17.8	8%	0.079	10%	0.097	C	C	.	.	H	α-helix	trans	-52.6	-45.6	179.4	-175.8	-178.9	37.1	0	0	113.2	P265 R270 A271 D420 Y460 Y461	P265-Q267 PolarHBondContact O-N 2.93Å; Q267-R270 WeakPolarHBondContact O-CB 3.26Å; Q267-R270 PolarHBondContact O-N 2.75Å; Q267-A271 PolarHBondContact O-N 3.35Å; Q267-D420 PolarHBondContact NE2-O 3.41Å; Q267-Y460 PolarHBondContact NE2-O 3.15Å; Q267-Y461 WeakPolarHBondContact CG-O 3.39Å
268	A	98.6	Very high	95.7	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.008	10%	0.097	C	C	.	.	H	α-helix	trans	-66	-41	179.9	0	0	0	0	0	112.5	I266 A271 G272 E359 I362 Q363 L366	I266-A268 VanDerWaalsContact C-N 3.32Å; I266-A268 HydrophobicContact CG2-CB 4.45Å; I266-A268 PolarHBondContact O-N 3.14Å; A268-A271 PolarHBondContact O-N 3.08Å; A268-G272 PolarHBondContact O-N 3.44Å; A268-E359 HydrophobicContact CB-CG 3.98Å; A268-I362 HydrophobicContact CB-CB 4.31Å; A268-I362 HydrophobicContact CB-CG2 3.89Å; A268-Q363 HydrophobicContact CB-CB 4.17Å; A268-L366 HydrophobicContact CB-CD1 4.04Å
269	A	98.6	Very high	96	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.4	-45.4	176.3	0	0	0	0	0	110.7	T264 I266 A271 G272 N273 E359 Y497 G501 C503	T264-A269 HydrophobicContact CG2-CB 4Å; I266-A269 HydrophobicContact CB-CB 3.79Å; I266-A269 HydrophobicContact CG2-CB 3.87Å; I266-A269 PolarHBondContact O-N 3.07Å; I266-A269 VanDerWaalsContact O-N 3.16Å; A269-A271 VanDerWaalsContact C-N 3.31Å; A269-A271 PolarHBondContact O-N 3.2Å; A269-G272 PolarHBondContact O-N 2.87Å; A269-N273 PolarHBondContact O-N 3.49Å; A269-N273 VanDerWaalsContact O-N 3.15Å; A269-E359 VanDerWaalsContact CA-CD 3.46Å; A269-E359 HydrophobicContact CB-CG 4.39Å; A269-E359 VanDerWaalsContact CB-OE1 3.3Å; A269-E359 WeakPolarHBondContact CB-OE1 3.31Å; A269-Y497 HydrophobicContact CB-CD1 4.13Å; A269-Y497 HydrophobicContact CB-CE1 3.89Å; A269-G501 WeakPolarHBondContact CB-O 3.13Å; A269-C503 PolarHBondContact O-SG 3.45Å
270	R	98.3	Very high	96.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-52.4	-52.6	175.1	-172.9	72.9	174.6	146.7	-1	110.5	D257 P263 T264 I266 Q267 G272 T274 Y460 G464 D491	D257-R270 IonicContact OD1-NH2 3.42Å; D257-R270 PolarHBondContact OD1-NH2 2.88Å; D257-R270 IonicContact OD2-CZ 3.93Å; D257-R270 IonicContact OD2-NE 3.13Å; D257-R270 PolarHBondContact OD2-NE 3.37Å; D257-R270 IonicContact OD2-NH2 2.77Å; D257-R270 PolarHBondContact OD2-NH2 3.4Å; P263-R270 VanDerWaalsContact CG-NH1 3.25Å; T264-R270 HydrophobicContact CG2-CB 3.95Å; I266-R270 PolarHBondContact O-N 3.36Å; Q267-R270 WeakPolarHBondContact O-CB 3.26Å; Q267-R270 PolarHBondContact O-N 2.75Å; R270-G272 VanDerWaalsContact C-N 3.34Å; R270-G272 PolarHBondContact O-N 2.89Å; R270-T274 WeakPolarHBondContact O-CG2 3.36Å; R270-T274 PolarHBondContact O-N 3.21Å; R270-T274 PolarHBondContact O-OG1 3.32Å; R270-Y460 HydrophobicContact CB-CD1 4.45Å; R270-Y460 HydrophobicContact CG-CD1 3.89Å; R270-Y460 HydrophobicContact CG-CE1 4.24Å; R270-G464 WeakPolarHBondContact CD-O 3.39Å; R270-G464 WeakPolarHBondContact CG-O 3.42Å; R270-G464 PolarHBondContact NE-O 3.13Å; R270-D491 IonicContact CZ-OD2 2.95Å; R270-D491 IonicContact NH1-OD1 2.75Å; R270-D491 PolarHBondContact NH1-OD1 3.44Å; R270-D491 IonicContact NH1-OD2 3.18Å; R270-D491 PolarHBondContact NH1-OD2 2.84Å
271	A	98.7	Very high	97	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.9	-40.6	177.8	0	0	0	0	0	112.4	Q267 A268 A269 T274 I275 I362 Y460	Q267-A271 PolarHBondContact O-N 3.35Å; A268-A271 PolarHBondContact O-N 3.08Å; A269-A271 VanDerWaalsContact C-N 3.31Å; A269-A271 PolarHBondContact O-N 3.2Å; A271-T274 PolarHBondContact O-OG1 3.49Å; A271-I275 HydrophobicContact CB-CD1 3.99Å; A271-I275 WeakPolarHBondContact O-CB 3.23Å; A271-I275 VanDerWaalsContact O-CD1 3.28Å; A271-I275 WeakPolarHBondContact O-CD1 3.43Å; A271-I275 WeakPolarHBondContact O-CG1 3.31Å; A271-I275 PolarHBondContact O-N 3.16Å; A271-I362 HydrophobicContact CB-CD1 4.47Å; A271-I362 HydrophobicContact CB-CG1 4.07Å; A271-I362 HydrophobicContact CB-CG2 4.17Å; A271-Y460 HydrophobicContact CB-CD1 4.23Å; A271-Y460 HydrophobicContact CB-CD2 3.91Å; A271-Y460 HydrophobicContact CB-CE1 4.27Å; A271-Y460 HydrophobicContact CB-CE2 3.92Å; A271-Y460 HydrophobicContact CB-CG 4.06Å
272	G	98.5	Very high	97.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-54.7	-55.5	178.9	0	0	0	0	0	113.4	A268 A269 R270 H276 P355	A268-G272 PolarHBondContact O-N 3.44Å; A269-G272 PolarHBondContact O-N 2.87Å; R270-G272 VanDerWaalsContact C-N 3.34Å; R270-G272 PolarHBondContact O-N 2.89Å; G272-H276 WeakPolarHBondContact O-CB 3.35Å; G272-H276 PolarHBondContact O-N 2.73Å; G272-P355 WeakPolarHBondContact CA-O 3.45Å
273	N	98.5	Very high	97.4	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-66	-49	179.6	-90	-3	0	0	0	112.6	A269 H276 A277 P355 D491 L495 G496 Y497 C503	A269-N273 PolarHBondContact O-N 3.49Å; A269-N273 VanDerWaalsContact O-N 3.15Å; N273-H276 WeakPolarHBondContact O-CB 3.39Å; N273-H276 PolarHBondContact O-N 2.92Å; N273-A277 WeakPolarHBondContact O-CB 3.23Å; N273-A277 PolarHBondContact O-N 3.39Å; N273-P355 WeakPolarHBondContact OD1-CB 3.39Å; N273-D491 WeakPolarHBondContact CB-OD1 3.35Å; N273-D491 PolarHBondContact ND2-OD1 3.41Å; N273-L495 HydrophobicContact CB-CB 4.48Å; N273-L495 HydrophobicContact CB-CD1 4.04Å; N273-L495 VanDerWaalsContact O-CD1 3.32Å; N273-L495 WeakPolarHBondContact O-CD1 3.49Å; N273-G496 PolarHBondContact ND2-O 2.95Å; N273-Y497 HydrophobicContact CB-CE1 4.34Å; N273-Y497 WeakPolarHBondContact ND2-CE1 3.37Å; N273-C503 PolarHBondContact OD1-SG 3.33Å
274	T	98.3	Very high	97.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-69.1	-41.1	-174.7	54.2	0	0	0	0	111.9	R270 A271 H276 A277 F278 Y460 V487 D491	R270-T274 WeakPolarHBondContact O-CG2 3.36Å; R270-T274 PolarHBondContact O-N 3.21Å; R270-T274 PolarHBondContact O-OG1 3.32Å; A271-T274 PolarHBondContact O-OG1 3.49Å; T274-H276 VanDerWaalsContact C-N 3.32Å; T274-H276 PolarHBondContact O-N 3.4Å; T274-A277 WeakPolarHBondContact O-CB 3.15Å; T274-A277 PolarHBondContact O-N 2.84Å; T274-A277 VanDerWaalsContact O-N 3.15Å; T274-F278 WeakPolarHBondContact O-CD2 3.24Å; T274-F278 PolarHBondContact O-N 3.06Å; T274-Y460 HydrophobicContact CG2-CE1 4.42Å; T274-Y460 WeakPolarHBondContact OG1-CE1 3.46Å; T274-Y460 PolarHBondContact OG1-OH 3.04Å; T274-V487 HydrophobicContact CG2-CG1 3.94Å; T274-D491 HydrophobicContact CG2-CB 4.14Å
275	I	98.8	Very high	97.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.8	-45.7	173.9	-67.7	165	0	0	0	109.4	A271 A277 F278 F279 I333 V346 I358 I362 F415 V417 Y460	A271-I275 HydrophobicContact CB-CD1 3.99Å; A271-I275 WeakPolarHBondContact O-CB 3.23Å; A271-I275 VanDerWaalsContact O-CD1 3.28Å; A271-I275 WeakPolarHBondContact O-CD1 3.43Å; A271-I275 WeakPolarHBondContact O-CG1 3.31Å; A271-I275 PolarHBondContact O-N 3.16Å; I275-A277 VanDerWaalsContact C-N 3.31Å; I275-A277 PolarHBondContact O-N 2.83Å; I275-F278 PolarHBondContact O-N 2.73Å; I275-F279 HydrophobicContact CG2-CD2 4.12Å; I275-F279 HydrophobicContact CG2-CE2 4.13Å; I275-F279 WeakPolarHBondContact O-CD2 3.33Å; I275-F279 PolarHBondContact O-N 3.43Å; I275-F279 VanDerWaalsContact O-N 3.16Å; I275-I333 HydrophobicContact CD1-CD1 3.67Å; I275-I333 HydrophobicContact CG1-CD1 4.22Å; I275-I333 HydrophobicContact CG2-CD1 4.03Å; I275-V346 HydrophobicContact CG2-CG1 4.11Å; I275-I358 HydrophobicContact CB-CG2 4.1Å; I275-I358 HydrophobicContact CD1-CG2 4Å; I275-I358 HydrophobicContact CG2-CD1 4.1Å; I275-I358 HydrophobicContact CG2-CG2 4.1Å; I275-I362 HydrophobicContact CD1-CD1 4.05Å; I275-I362 HydrophobicContact CD1-CG1 4.35Å; I275-F415 HydrophobicContact CB-CZ 4.49Å; I275-F415 HydrophobicContact CG1-CE2 4.4Å; I275-F415 HydrophobicContact CG1-CZ 4.28Å; I275-F415 HydrophobicContact CG2-CZ 4.16Å; I275-V417 HydrophobicContact CD1-CG2 4.34Å; I275-Y460 HydrophobicContact CD1-CE2 4.43Å; I275-Y460 HydrophobicContact CG1-CE2 4.42Å
276	H	98.3	Very high	97.1	Very high	26 Å²	26	17.6 Å²	17.6	12%	0.12	8%	0.08	C	C	.	.	H	α-helix	trans	-56.9	-46.1	175	-169.9	87.1	0	0	0	111.5	G272 N273 T274 F278 F279 L280 L353 P355 I358	G272-H276 WeakPolarHBondContact O-CB 3.35Å; G272-H276 PolarHBondContact O-N 2.73Å; N273-H276 WeakPolarHBondContact O-CB 3.39Å; N273-H276 PolarHBondContact O-N 2.92Å; T274-H276 VanDerWaalsContact C-N 3.32Å; T274-H276 PolarHBondContact O-N 3.4Å; H276-F278 PolarHBondContact O-N 2.93Å; H276-F279 PolarHBondContact O-N 2.89Å; H276-F279 VanDerWaalsContact O-N 3.11Å; H276-L280 WeakPolarHBondContact O-CG 3.47Å; H276-L280 PolarHBondContact O-N 2.87Å; H276-L353 PolarHBondContact CE1-O 2.78Å; H276-L353 VanDerWaalsContact CE1-O 3.26Å; H276-L353 PolarHBondContact ND1-O 3.32Å; H276-P355 HydrophobicContact CB-CB 4.44Å; H276-P355 HydrophobicContact CB-CG 3.95Å; H276-I358 HydrophobicContact CB-CD1 3.97Å
277	A	98.3	Very high	96.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.6	-39.9	178.2	0	0	0	0	0	113.2	N273 T274 I275 F279 L280 Y281 V487 A490 L495	N273-A277 WeakPolarHBondContact O-CB 3.23Å; N273-A277 PolarHBondContact O-N 3.39Å; T274-A277 WeakPolarHBondContact O-CB 3.15Å; T274-A277 PolarHBondContact O-N 2.84Å; T274-A277 VanDerWaalsContact O-N 3.15Å; I275-A277 VanDerWaalsContact C-N 3.31Å; I275-A277 PolarHBondContact O-N 2.83Å; A277-F279 VanDerWaalsContact C-N 3.31Å; A277-F279 PolarHBondContact O-N 3.21Å; A277-L280 WeakPolarHBondContact O-CB 3.36Å; A277-L280 PolarHBondContact O-N 2.86Å; A277-L280 VanDerWaalsContact O-N 3.17Å; A277-Y281 PolarHBondContact O-N 2.68Å; A277-V487 HydrophobicContact CB-CB 4.42Å; A277-V487 HydrophobicContact CB-CG1 4.21Å; A277-V487 HydrophobicContact CB-CG2 4.2Å; A277-A490 HydrophobicContact CB-CB 3.89Å; A277-L495 HydrophobicContact CB-CD1 4.3Å
278	F	98.3	Very high	96.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-57.7	-43.1	171.8	-81.7	-71.9	0	0	0	111.4	T274 I275 H276 Y281 R282 Y311 F415 F456 V458 V483 W484 V487	T274-F278 WeakPolarHBondContact O-CD2 3.24Å; T274-F278 PolarHBondContact O-N 3.06Å; I275-F278 PolarHBondContact O-N 2.73Å; H276-F278 PolarHBondContact O-N 2.93Å; F278-Y281 WeakPolarHBondContact O-CB 3.45Å; F278-Y281 PolarHBondContact O-N 3.4Å; F278-R282 WeakPolarHBondContact O-CB 3.32Å; F278-R282 PolarHBondContact O-N 3.4Å; F278-Y311 HydrophobicContact CB-CE1 4.33Å; F278-Y311 HydrophobicContact CD1-CE1 4.27Å; F278-Y311 PolarHBondContact O-OH 2.93Å; F278-Y311 VanDerWaalsContact O-OH 3.06Å; F278-F415 HydrophobicContact CB-CE1 3.77Å; F278-F415 HydrophobicContact CB-CZ 3.9Å; F278-F415 HydrophobicContact CD2-CE2 4.35Å; F278-F415 HydrophobicContact CD2-CZ 4.02Å; F278-F415 HydrophobicContact CG-CE1 4.21Å; F278-F415 HydrophobicContact CG-CZ 4.08Å; F278-F456 HydrophobicContact CD1-CE2 4.06Å; F278-F456 HydrophobicContact CD1-CZ 4.12Å; F278-F456 AromaticContact CE1-CE2 3.68Å; F278-F456 HydrophobicContact CE1-CE2 3.68Å; F278-F456 HydrophobicContact CE1-CZ 4.1Å; F278-F456 HydrophobicContact CZ-CE2 4.13Å; F278-V458 HydrophobicContact CD2-CG2 4.45Å; F278-V458 HydrophobicContact CE1-CG2 4.46Å; F278-V458 HydrophobicContact CE2-CB 4.5Å; F278-V458 HydrophobicContact CE2-CG1 4.17Å; F278-V458 HydrophobicContact CE2-CG2 3.61Å; F278-V458 HydrophobicContact CZ-CG2 3.61Å; F278-V483 HydrophobicContact CD1-CG2 3.88Å; F278-V483 HydrophobicContact CE1-CG2 3.9Å; F278-W484 HydrophobicContact CE2-CZ3 4.21Å; F278-W484 AromaticContact CZ-CE3 3.88Å; F278-W484 HydrophobicContact CZ-CE3 3.88Å; F278-W484 AromaticContact CZ-CZ3 3.81Å; F278-W484 HydrophobicContact CZ-CZ3 3.81Å; F278-V487 HydrophobicContact CB-CG2 4.47Å; F278-V487 HydrophobicContact CD1-CG2 3.64Å; F278-V487 HydrophobicContact CD2-CG1 4.14Å; F278-V487 HydrophobicContact CD2-CG2 3.97Å; F278-V487 HydrophobicContact CE1-CG2 3.75Å; F278-V487 HydrophobicContact CE2-CB 4.43Å; F278-V487 HydrophobicContact CE2-CG1 3.82Å; F278-V487 HydrophobicContact CE2-CG2 4.04Å; F278-V487 HydrophobicContact CG-CG2 3.75Å; F278-V487 HydrophobicContact CZ-CB 4.39Å; F278-V487 HydrophobicContact CZ-CG1 4.2Å; F278-V487 HydrophobicContact CZ-CG2 3.94Å
279	F	97.3	Very high	96.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-71	-30	176.8	-80.9	-85.1	0	0	0	113.4	I275 H276 A277 R283 I333 V346 Y347 I352 A414 F415	I275-F279 HydrophobicContact CG2-CD2 4.12Å; I275-F279 HydrophobicContact CG2-CE2 4.13Å; I275-F279 WeakPolarHBondContact O-CD2 3.33Å; I275-F279 PolarHBondContact O-N 3.43Å; I275-F279 VanDerWaalsContact O-N 3.16Å; H276-F279 PolarHBondContact O-N 2.89Å; H276-F279 VanDerWaalsContact O-N 3.11Å; A277-F279 VanDerWaalsContact C-N 3.31Å; A277-F279 PolarHBondContact O-N 3.21Å; F279-R283 WeakPolarHBondContact O-CB 3.44Å; F279-R283 PolarHBondContact O-N 2.81Å; F279-I333 HydrophobicContact CE2-CG2 3.75Å; F279-I333 HydrophobicContact CZ-CG2 3.89Å; F279-V346 HydrophobicContact CD1-CG2 3.89Å; F279-V346 HydrophobicContact CD2-CB 4.31Å; F279-V346 HydrophobicContact CD2-CG1 4.47Å; F279-V346 HydrophobicContact CD2-CG2 3.87Å; F279-V346 HydrophobicContact CE1-CG2 3.36Å; F279-V346 HydrophobicContact CE2-CB 4Å; F279-V346 HydrophobicContact CE2-CG1 3.89Å; F279-V346 HydrophobicContact CE2-CG2 3.37Å; F279-V346 HydrophobicContact CG-CG2 4.13Å; F279-V346 HydrophobicContact CZ-CB 4.2Å; F279-V346 HydrophobicContact CZ-CG1 4.32Å; F279-V346 HydrophobicContact CZ-CG2 3.11Å; F279-Y347 AromaticContact CD1-CE2 3.67Å; F279-Y347 HydrophobicContact CD1-CE2 3.67Å; F279-Y347 AromaticContact CD1-CZ 3.98Å; F279-Y347 AromaticContact CE1-CE2 3.7Å; F279-Y347 HydrophobicContact CE1-CE2 3.7Å; F279-I352 HydrophobicContact CB-CD1 4.27Å; F279-I352 HydrophobicContact CB-CG2 4.18Å; F279-A414 HydrophobicContact CE1-CB 4.14Å; F279-A414 HydrophobicContact CZ-CB 3.67Å; F279-F415 HydrophobicContact CD2-CE1 4.25Å; F279-F415 AromaticContact CE2-CE1 3.65Å; F279-F415 HydrophobicContact CE2-CE1 3.65Å; F279-F415 HydrophobicContact CE2-CZ 4.16Å; F279-F415 HydrophobicContact CZ-CE1 4.24Å
280	L	96.6	Very high	96.3	Very high	23 Å²	23	25.1 Å²	25.1	12%	0.12	11%	0.113	C	C	.	.	H	α-helix	trans	-64.3	-44.2	169.2	-66.6	-179.5	0	0	0	111.5	H276 A277 R283 K284 Y486	H276-L280 WeakPolarHBondContact O-CG 3.47Å; H276-L280 PolarHBondContact O-N 2.87Å; A277-L280 WeakPolarHBondContact O-CB 3.36Å; A277-L280 PolarHBondContact O-N 2.86Å; A277-L280 VanDerWaalsContact O-N 3.17Å; L280-R283 WeakPolarHBondContact O-CB 3.44Å; L280-R283 PolarHBondContact O-N 3.11Å; L280-K284 PolarHBondContact O-N 3.1Å; L280-K284 VanDerWaalsContact O-N 3.15Å; L280-Y486 HydrophobicContact CB-CE1 4.39Å
281	Y	96.9	Very high	96	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-61.5	-49.6	174.5	-175.6	-84.7	0	0	0	111.1	A277 F278 R283 K284 L285 I290 I310 Y311 H482 V483 Y486	A277-Y281 PolarHBondContact O-N 2.68Å; F278-Y281 WeakPolarHBondContact O-CB 3.45Å; F278-Y281 PolarHBondContact O-N 3.4Å; Y281-R283 PolarHBondContact O-N 2.81Å; Y281-K284 CarbonylContact O-C 3.54Å; Y281-K284 WeakPolarHBondContact O-CA 3.36Å; Y281-K284 WeakPolarHBondContact O-CB 3.37Å; Y281-K284 PolarHBondContact O-N 2.92Å; Y281-L285 PolarHBondContact O-N 2.95Å; Y281-I290 HydrophobicContact CD1-CD1 4.14Å; Y281-I290 HydrophobicContact CD2-CD1 4.34Å; Y281-I290 HydrophobicContact CE1-CD1 3.6Å; Y281-I290 HydrophobicContact CE2-CD1 3.83Å; Y281-I290 VanDerWaalsContact CZ-CD1 3.44Å; Y281-I310 HydrophobicContact CE1-CD1 4.05Å; Y281-Y311 AromaticContact CD1-CE2 3.85Å; Y281-Y311 HydrophobicContact CD1-CE2 3.85Å; Y281-Y311 WeakPolarHBondContact CD1-OH 3.38Å; Y281-Y311 HydrophobicContact CE1-CE2 4.3Å; Y281-H482 AromaticContact CE2-CE1 3.73Å; Y281-H482 AromaticContact CE2-ND1 3.51Å; Y281-H482 AromaticContact CZ-ND1 3.64Å; Y281-H482 PolarHBondContact OH-ND1 3.25Å; Y281-V483 HydrophobicContact CD1-CB 4.25Å; Y281-V483 HydrophobicContact CD1-CG2 3.68Å; Y281-V483 HydrophobicContact CD2-CB 4.41Å; Y281-V483 HydrophobicContact CD2-CG2 4.11Å; Y281-V483 HydrophobicContact CE1-CB 3.89Å; Y281-V483 HydrophobicContact CE1-CG2 3.85Å; Y281-V483 HydrophobicContact CE2-CB 4.07Å; Y281-V483 HydrophobicContact CE2-CG2 4.26Å; Y281-V483 HydrophobicContact CG-CB 4.48Å; Y281-V483 HydrophobicContact CG-CG2 3.8Å; Y281-Y486 AromaticContact CD2-CD1 3.72Å; Y281-Y486 HydrophobicContact CD2-CD1 3.72Å; Y281-Y486 HydrophobicContact CD2-CD2 4.09Å; Y281-Y486 HydrophobicContact CD2-CE1 4.36Å; Y281-Y486 AromaticContact CD2-CG 3.58Å; Y281-Y486 HydrophobicContact CD2-CG 3.58Å; Y281-Y486 HydrophobicContact CE2-CG 4.36Å; Y281-Y486 HydrophobicContact CG-CD1 4.21Å; Y281-Y486 HydrophobicContact CG-CG 4.49Å
282	R	95.3	Very high	95.7	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	15%	0.154	C	C	.	.	H	α-helix	trans	-58.5	-36.9	177.8	-171.9	176.1	173.9	-147.8	-7.6	112.2	F278 L285 N286 Y311 N312 S330	F278-R282 WeakPolarHBondContact O-CB 3.32Å; F278-R282 PolarHBondContact O-N 3.4Å; R282-L285 WeakPolarHBondContact O-CB 3.14Å; R282-L285 PolarHBondContact O-N 3.42Å; R282-N286 WeakPolarHBondContact O-CB 3.32Å; R282-N286 VanDerWaalsContact O-CG 3.26Å; R282-N286 PolarHBondContact O-N 2.65Å; R282-Y311 HydrophobicContact CB-CD1 4.46Å; R282-Y311 HydrophobicContact CB-CD2 3.99Å; R282-Y311 HydrophobicContact CB-CE1 4.18Å; R282-Y311 HydrophobicContact CB-CE2 3.72Å; R282-Y311 HydrophobicContact CB-CG 4.35Å; R282-Y311 HydrophobicContact CG-CD1 4.35Å; R282-Y311 HydrophobicContact CG-CD2 3.72Å; R282-Y311 HydrophobicContact CG-CE2 4Å; R282-Y311 HydrophobicContact CG-CG 3.91Å; R282-N312 VanDerWaalsContact CZ-OD1 3.24Å; R282-N312 VanDerWaalsContact NH2-CG 3.34Å; R282-N312 PolarHBondContact NH2-ND2 3.27Å; R282-N312 PolarHBondContact NH2-OD1 3.33Å; R282-S330 VanDerWaalsContact CZ-O 3.28Å; R282-S330 PolarHBondContact NH1-O 2.67Å; R282-S330 PolarHBondContact NH2-O 3.38Å
283	R	92.9	Very high	95.4	Very high	119 Å²	119	35.5 Å²	35.5	45%	0.449	16%	0.163	S	C	.	.	H	α-helix	trans	-62.4	-43.1	173.5	-174.3	174.6	68.9	-178.9	1.1	111.6	F279 L280 Y281 K287	F279-R283 WeakPolarHBondContact O-CB 3.44Å; F279-R283 PolarHBondContact O-N 2.81Å; L280-R283 WeakPolarHBondContact O-CB 3.44Å; L280-R283 PolarHBondContact O-N 3.11Å; Y281-R283 PolarHBondContact O-N 2.81Å; R283-K287 WeakPolarHBondContact O-CB 3.45Å; R283-K287 VanDerWaalsContact O-CG 3.32Å; R283-K287 WeakPolarHBondContact O-CG 3.41Å; R283-K287 PolarHBondContact O-N 2.66Å
284	K	94.8	Very high	95	Very high	74 Å²	74	40.7 Å²	40.7	32%	0.322	18%	0.183	S	C	.	.	H	α-helix	trans	-65.4	-41.5	174.7	-67.9	178.1	176.6	175	0	111.4	L280 Y281 K287 E288 E289 I290 Y486	L280-K284 PolarHBondContact O-N 3.1Å; L280-K284 VanDerWaalsContact O-N 3.15Å; Y281-K284 CarbonylContact O-C 3.54Å; Y281-K284 WeakPolarHBondContact O-CA 3.36Å; Y281-K284 WeakPolarHBondContact O-CB 3.37Å; Y281-K284 PolarHBondContact O-N 2.92Å; K284-K287 CarbonylContact O-C 3.56Å; K284-K287 PolarHBondContact O-N 2.91Å; K284-E288 PolarHBondContact O-N 2.85Å; K284-E289 HydrophobicContact CB-CB 4.35Å; K284-E289 PolarHBondContact O-N 2.85Å; K284-I290 HydrophobicContact CB-CD1 4.5Å; K284-I290 HydrophobicContact CB-CG1 3.78Å; K284-Y486 HydrophobicContact CD-CE2 4.33Å; K284-Y486 PolarHBondContact NZ-OH 2.86Å
285	L	94.6	Very high	94.6	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.042	19%	0.188	C	C	.	.	H	α-helix	trans	-58.9	-52.4	176.2	178.2	63.8	0	0	0	111.5	L163 Y281 R282 K287 E288 I290 C307 I310 Y311	L163-L285 HydrophobicContact CD2-CD1 3.5Å; L163-L285 VanDerWaalsContact CD2-CD1 3.5Å; Y281-L285 PolarHBondContact O-N 2.95Å; R282-L285 WeakPolarHBondContact O-CB 3.14Å; R282-L285 PolarHBondContact O-N 3.42Å; L285-K287 PolarHBondContact O-N 3.01Å; L285-E288 WeakPolarHBondContact O-CA 3.24Å; L285-E288 PolarHBondContact O-N 2.95Å; L285-I290 HydrophobicContact CB-CD1 3.7Å; L285-I290 HydrophobicContact CD1-CD1 4.04Å; L285-I290 HydrophobicContact CG-CD1 4.47Å; L285-C307 HydrophobicContact CD1-CB 3.89Å; L285-C307 WeakPolarHBondContact CD2-O 3.39Å; L285-I310 HydrophobicContact CD2-CB 4.46Å; L285-I310 HydrophobicContact CD2-CD1 4.32Å; L285-Y311 HydrophobicContact CD2-CD2 3.82Å; L285-Y311 HydrophobicContact CD2-CE2 4.04Å
286	N	91.8	Very high	93.9	Very high	57 Å²	57	47 Å²	47	31%	0.305	22%	0.224	S	C	.	.	H	α-helix	trans	-63.9	-27.1	-179.1	-72.5	-4.8	0	0	0	113.2	R282	R282-N286 WeakPolarHBondContact O-CB 3.32Å; R282-N286 VanDerWaalsContact O-CG 3.26Å; R282-N286 PolarHBondContact O-N 2.65Å
287	K	92.4	Very high	93.1	Very high	71 Å²	71	50.2 Å²	50.2	31%	0.309	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-1	173.8	-67.4	-176.6	177.9	-174	0	113.3	I44 N48 R283 K284 L285 E289	I44-K287 HydrophobicContact CG2-CG 4.37Å; N48-K287 VanDerWaalsContact ND2-C 3.29Å; N48-K287 PolarHBondContact ND2-O 2.86Å; R283-K287 WeakPolarHBondContact O-CB 3.45Å; R283-K287 VanDerWaalsContact O-CG 3.32Å; R283-K287 WeakPolarHBondContact O-CG 3.41Å; R283-K287 PolarHBondContact O-N 2.66Å; K284-K287 CarbonylContact O-C 3.56Å; K284-K287 PolarHBondContact O-N 2.91Å; L285-K287 PolarHBondContact O-N 3.01Å; K287-E289 HydrophobicContact CB-CB 4.43Å; K287-E289 HydrophobicContact CB-CG 3.74Å; K287-E289 VanDerWaalsContact CD-OE1 3.29Å; K287-E289 WeakPolarHBondContact CD-OE1 3.35Å; K287-E289 WeakPolarHBondContact CD-OE2 3.46Å; K287-E289 IonicContact NZ-OE1 2.68Å; K287-E289 PolarHBondContact O-N 3.11Å
288	E	95.2	Very high	92.6	Very high	20 Å²	20	52.6 Å²	52.6	9%	0.093	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	57	27.2	-174.9	-53	177.7	-151.5	0	0	113.7	N48 L162 L163 Y164 K284 L285 I290	N48-E288 HydrophobicContact CB-CG 4.5Å; N48-E288 WeakPolarHBondContact CB-OE1 3.47Å; L162-E288 HydrophobicContact CB-CB 4Å; L162-E288 HydrophobicContact CD1-CB 4.48Å; L163-E288 HydrophobicContact CB-CB 4.03Å; L163-E288 PolarHBondContact N-O 3.07Å; Y164-E288 VanDerWaalsContact CD2-CD 3.44Å; Y164-E288 HydrophobicContact CD2-CG 3.66Å; Y164-E288 HydrophobicContact CE2-CG 3.86Å; K284-E288 PolarHBondContact O-N 2.85Å; L285-E288 WeakPolarHBondContact O-CA 3.24Å; L285-E288 PolarHBondContact O-N 2.95Å; E288-I290 VanDerWaalsContact C-N 3.34Å
289	E	94.6	Very high	92.1	Very high	111 Å²	111	54.1 Å²	54.1	52%	0.519	29%	0.287	S	S	.	.			trans	-86.1	-5.3	-178.6	-70.9	171.6	173.6	0	0	112.7	K284 K287 K291	K284-E289 HydrophobicContact CB-CB 4.35Å; K284-E289 PolarHBondContact O-N 2.85Å; K287-E289 HydrophobicContact CB-CB 4.43Å; K287-E289 HydrophobicContact CB-CG 3.74Å; K287-E289 VanDerWaalsContact CD-OE1 3.29Å; K287-E289 WeakPolarHBondContact CD-OE1 3.35Å; K287-E289 WeakPolarHBondContact CD-OE2 3.46Å; K287-E289 IonicContact NZ-OE1 2.68Å; K287-E289 PolarHBondContact O-N 3.11Å; E289-K291 PolarHBondContact O-N 3.25Å
290	I	94.3	Very high	91.9	Very high	13 Å²	13	54.5 Å²	54.5	7%	0.067	29%	0.289	C	S	.	.	S	Bend	trans	-69.1	129.7	170.9	-60.9	175.6	0	0	0	108.2	L163 Y281 K284 L285 E288	L163-I290 WeakPolarHBondContact CA-O 3.43Å; L163-I290 WeakPolarHBondContact CB-O 3.33Å; L163-I290 HydrophobicContact CD1-CB 4.11Å; L163-I290 HydrophobicContact CD1-CG2 4.07Å; L163-I290 HydrophobicContact CD2-CB 4.27Å; Y281-I290 HydrophobicContact CD1-CD1 4.14Å; Y281-I290 HydrophobicContact CD2-CD1 4.34Å; Y281-I290 HydrophobicContact CE1-CD1 3.6Å; Y281-I290 HydrophobicContact CE2-CD1 3.83Å; Y281-I290 VanDerWaalsContact CZ-CD1 3.44Å; K284-I290 HydrophobicContact CB-CD1 4.5Å; K284-I290 HydrophobicContact CB-CG1 3.78Å; L285-I290 HydrophobicContact CB-CD1 3.7Å; L285-I290 HydrophobicContact CD1-CD1 4.04Å; L285-I290 HydrophobicContact CG-CD1 4.47Å; E288-I290 VanDerWaalsContact C-N 3.34Å
291	K	91.8	Very high	91.8	Very high	174 Å²	174	53.5 Å²	53.5	76%	0.757	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-61.6	132.5	178.6	-66.7	179.9	-177.1	172.3	0	109.7	E289 S293	E289-K291 PolarHBondContact O-N 3.25Å; K291-S293 PolarHBondContact O-N 3.24Å
292	P	92.3	Very high	91.7	Very high	16 Å²	16	53.7 Å²	53.7	10%	0.104	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-57.1	130.4	172.4	-25.3	33.7	0	0	0	111.5	P161 L162 Y166	P161-P292 HydrophobicContact CB-CG 4.06Å; P161-P292 HydrophobicContact CG-CG 4.07Å; L162-P292 VanDerWaalsContact O-CG 3.27Å; L162-P292 WeakPolarHBondContact O-CG 3.38Å; Y166-P292 HydrophobicContact CD2-CB 3.95Å; Y166-P292 HydrophobicContact CD2-CG 4.11Å; Y166-P292 HydrophobicContact CE2-CB 4.07Å; Y166-P292 HydrophobicContact CE2-CG 4.1Å
293	S	91.3	Very high	91.8	Very high	28 Å²	28	53.9 Å²	53.9	20%	0.196	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-62.3	147.6	173.8	-49.6	0	0	0	0	110.5	K291 L302 R594	K291-S293 PolarHBondContact O-N 3.24Å; S293-L302 PolarHBondContact O-N 3.22Å; S293-R594 PolarHBondContact OG-NH2 3.41Å
294	R	91.4	Very high	91.9	Very high	110 Å²	110	48.2 Å²	48.2	42%	0.415	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-130.6	159.3	176.6	-68.1	176.5	175.6	158.1	-0	110.1	P296 I300	R294-P296 WeakPolarHBondContact O-CD 3.43Å; R294-I300 CarbonylContact C-O 3.2Å; R294-I300 WeakPolarHBondContact CA-O 3.18Å; R294-I300 VanDerWaalsContact CB-O 3.3Å; R294-I300 WeakPolarHBondContact CB-O 3.12Å
295	V	89.4	Confident	91.9	Very high	19 Å²	19	46 Å²	46	12%	0.115	26%	0.261	C	S	.	.			trans	-60.8	125	166.7	176.8	0	0	0	0	107.7	W134 G297 T298 I300 L302 L595	W134-V295 HydrophobicContact CH2-CG1 4.38Å; V295-G297 PolarHBondContact O-N 3.45Å; V295-T298 HydrophobicContact CB-CG2 4.37Å; V295-T298 WeakPolarHBondContact CB-OG1 3.37Å; V295-T298 HydrophobicContact CG1-CG2 4.13Å; V295-T298 PolarHBondContact O-N 3.22Å; V295-T298 PolarHBondContact O-OG1 2.87Å; V295-I300 HydrophobicContact CG2-CB 4.49Å; V295-I300 PolarHBondContact N-O 2.91Å; V295-L302 HydrophobicContact CG2-CD2 3.78Å; V295-L302 HydrophobicContact CG2-CG 4.37Å; V295-L595 HydrophobicContact CG2-CD2 3.8Å
296	P	83.8	Confident	91.9	Very high	115 Å²	115	46.4 Å²	46.4	75%	0.747	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	134.3	-175.4	-30.3	35.7	0	0	0	112.8	R294 T298	R294-P296 WeakPolarHBondContact O-CD 3.43Å; P296-T298 PolarHBondContact O-N 2.87Å
297	G	81.2	Confident	92.1	Very high	93 Å²	93	44.2 Å²	44.2	96%	0.959	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	6	-178.5	0	0	0	0	0	115.4	V295	V295-G297 PolarHBondContact O-N 3.45Å
298	T	87.6	Confident	92.1	Very high	49 Å²	49	46.4 Å²	46.4	30%	0.301	26%	0.263	S	S	.	.	S	Bend	trans	-128.5	171.7	-178.9	82.5	0	0	0	0	112.9	W134 V295 P296 I300	W134-T298 HydrophobicContact CZ3-CG2 4.34Å; V295-T298 HydrophobicContact CB-CG2 4.37Å; V295-T298 WeakPolarHBondContact CB-OG1 3.37Å; V295-T298 HydrophobicContact CG1-CG2 4.13Å; V295-T298 PolarHBondContact O-N 3.22Å; V295-T298 PolarHBondContact O-OG1 2.87Å; P296-T298 PolarHBondContact O-N 2.87Å; T298-I300 PolarHBondContact OG1-N 3.09Å
299	V	88.1	Confident	92.1	Very high	33 Å²	33	49.3 Å²	49.3	20%	0.2	27%	0.273	C	S	.	.	S	Bend	trans	-91.4	1.6	174	-62.2	0	0	0	0	113.3	V150 V153 R154 P301	V150-V299 HydrophobicContact CG1-CG2 4.38Å; V153-V299 HydrophobicContact CG1-CG2 3.96Å; R154-V299 HydrophobicContact CG-CB 4.44Å; R154-V299 HydrophobicContact CG-CG1 4.04Å; R154-V299 HydrophobicContact CG-CG2 4.13Å; V299-P301 WeakPolarHBondContact O-CD 3.1Å
300	I	92.9	Very high	92.2	Very high	8 Å²	8	44 Å²	44	4%	0.041	25%	0.248	C	C	.	.			trans	-80.7	117.8	-169.6	-52.5	-52.3	0	0	0	110	L129 W134 W149 V153 R294 V295 T298 L595	L129-I300 HydrophobicContact CD2-CD1 4.34Å; L129-I300 HydrophobicContact CD2-CG2 4.25Å; W134-I300 HydrophobicContact CH2-CG1 4.41Å; W134-I300 HydrophobicContact CZ2-CG1 4.06Å; W134-I300 HydrophobicContact CZ2-CG2 4.43Å; W149-I300 HydrophobicContact CH2-CD1 3.26Å; W149-I300 HydrophobicContact CH2-CG1 3.94Å; W149-I300 HydrophobicContact CZ2-CD1 3.73Å; W149-I300 HydrophobicContact CZ3-CD1 4.13Å; V153-I300 HydrophobicContact CG1-CD1 4.02Å; R294-I300 CarbonylContact C-O 3.2Å; R294-I300 WeakPolarHBondContact CA-O 3.18Å; R294-I300 VanDerWaalsContact CB-O 3.3Å; R294-I300 WeakPolarHBondContact CB-O 3.12Å; V295-I300 HydrophobicContact CG2-CB 4.49Å; V295-I300 PolarHBondContact N-O 2.91Å; T298-I300 PolarHBondContact OG1-N 3.09Å; I300-L595 HydrophobicContact CG2-CD2 3.84Å
301	P	94.6	Very high	92.3	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-72.5	151.6	-178.7	32.7	-36.5	0	0	0	111.6	L129 Y166 L170 V299	L129-P301 HydrophobicContact CD1-CG 3.97Å; L129-P301 HydrophobicContact CD2-CG 4.23Å; Y166-P301 HydrophobicContact CD1-CB 3.94Å; Y166-P301 HydrophobicContact CD1-CG 3.64Å; Y166-P301 HydrophobicContact CD2-CB 3.51Å; Y166-P301 HydrophobicContact CD2-CG 4.17Å; Y166-P301 HydrophobicContact CE1-CB 4.27Å; Y166-P301 HydrophobicContact CE1-CG 4.02Å; Y166-P301 HydrophobicContact CE2-CB 3.88Å; Y166-P301 HydrophobicContact CG-CB 3.53Å; Y166-P301 HydrophobicContact CG-CG 3.71Å; L170-P301 HydrophobicContact CD2-CG 4.24Å; V299-P301 WeakPolarHBondContact O-CD 3.1Å
302	L	95.4	Very high	92.5	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.037	21%	0.212	C	C	.	.			trans	-108.1	157.1	171.7	-63.9	175.9	0	0	0	110.6	S293 V295 M592 R594 L595	S293-L302 PolarHBondContact O-N 3.22Å; V295-L302 HydrophobicContact CG2-CD2 3.78Å; V295-L302 HydrophobicContact CG2-CG 4.37Å; L302-M592 HydrophobicContact CD1-CE 3.98Å; L302-M592 HydrophobicContact CD1-SD 4.03Å; L302-M592 HydrophobicContact CD2-CE 4.17Å; L302-M592 HydrophobicContact CD2-SD 4.46Å; L302-R594 CarbonylContact C-O 3.59Å; L302-R594 WeakPolarHBondContact CA-O 3.39Å; L302-R594 HydrophobicContact CB-CB 4.11Å; L302-R594 HydrophobicContact CD2-CB 4.04Å; L302-L595 HydrophobicContact CD2-CD2 3.95Å; L302-L595 HydrophobicContact CD2-CG 4.42Å
303	C	96.7	Very high	92.8	Very high	5 Å²	5	35 Å²	35	3%	0.034	21%	0.207	C	C	.	.			trans	-63	137	174.3	-176.1	0	0	0	0	111.4	Q167 L170 A305 R594 F596 E598	Q167-C303 PolarHBondContact OE1-SG 2.82Å; L170-C303 HydrophobicContact CD1-CB 3.8Å; C303-A305 VanDerWaalsContact SG-CB 3.57Å; C303-A305 PolarHBondContact SG-N 2.86Å; C303-A305 VanDerWaalsContact SG-N 3.42Å; C303-R594 HydrophobicContact CB-CB 4.32Å; C303-R594 PolarHBondContact N-O 3.46Å; C303-R594 PolarHBondContact O-NE 2.98Å; C303-R594 PolarHBondContact O-NH2 2.82Å; C303-F596 WeakPolarHBondContact CB-O 3.34Å; C303-E598 PolarHBondContact SG-N 3.29Å
304	S	96	Very high	93.1	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.007	20%	0.198	C	C	.	.			trans	-112.1	4.8	179.6	-51.8	0	0	0	0	112.4	L163 Y164 Q306 C307	L163-S304 PolarHBondContact O-OG 3.47Å; L163-S304 VanDerWaalsContact O-OG 3.1Å; Y164-S304 WeakPolarHBondContact CE1-O 3.45Å; S304-Q306 PolarHBondContact O-N 2.89Å; S304-C307 WeakPolarHBondContact O-CB 3.34Å; S304-C307 PolarHBondContact O-N 2.8Å
305	A	94.7	Very high	93.5	Very high	27 Å²	27	28.5 Å²	28.5	22%	0.223	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-56.4	-36.9	-172.3	0	0	0	0	0	113.1	C303 C307 E308 E598	C303-A305 VanDerWaalsContact SG-CB 3.57Å; C303-A305 PolarHBondContact SG-N 2.86Å; C303-A305 VanDerWaalsContact SG-N 3.42Å; A305-C307 PolarHBondContact O-N 2.83Å; A305-E308 WeakPolarHBondContact O-CB 3.47Å; A305-E308 PolarHBondContact O-N 2.84Å; A305-E598 HydrophobicContact CB-CG 4.06Å
306	Q	95.5	Very high	93.9	Very high	17 Å²	17	28.3 Å²	28.3	8%	0.079	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-62.1	-25.1	177.4	-60	-175.8	46.2	0	0	113	S304 E308 R309 W474 A475 D476 V479 G599	S304-Q306 PolarHBondContact O-N 2.89Å; Q306-E308 PolarHBondContact O-N 3.44Å; Q306-R309 PolarHBondContact O-N 3.09Å; Q306-W474 WeakPolarHBondContact O-CZ3 3.33Å; Q306-A475 HydrophobicContact CB-CB 4.06Å; Q306-D476 PolarHBondContact NE2-OD2 2.96Å; Q306-D476 PolarHBondContact OE1-OD2 3.29Å; Q306-V479 HydrophobicContact CB-CG1 4.35Å; Q306-V479 HydrophobicContact CB-CG2 3.71Å; Q306-V479 HydrophobicContact CG-CG2 4.42Å; Q306-G599 PolarHBondContact NE2-O 3.08Å
307	C	95.6	Very high	94.6	Very high	11 Å²	11	23.3 Å²	23.3	7%	0.074	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-65.5	-23.8	179.9	-61.3	0	0	0	0	113.2	L163 L285 S304 A305 R309 I310	L163-C307 HydrophobicContact CD2-CB 4.19Å; L285-C307 HydrophobicContact CD1-CB 3.89Å; L285-C307 WeakPolarHBondContact CD2-O 3.39Å; S304-C307 WeakPolarHBondContact O-CB 3.34Å; S304-C307 PolarHBondContact O-N 2.8Å; A305-C307 PolarHBondContact O-N 2.83Å; C307-R309 VanDerWaalsContact C-N 3.27Å; C307-R309 PolarHBondContact O-N 2.85Å; C307-I310 HydrophobicContact CB-CD1 4.14Å; C307-I310 WeakPolarHBondContact O-CD1 3.48Å; C307-I310 WeakPolarHBondContact O-CG1 3.25Å
308	E	92.2	Very high	95.4	Very high	117 Å²	117	19.7 Å²	19.7	55%	0.547	11%	0.107	S	C	.	.	G	3₁₀ helix	trans	-62.5	-36.8	-178.9	-174.4	171.7	-167.7	0	0	111.7	Y164 A305 Q306 H326	Y164-E308 PolarHBondContact OH-N 3.36Å; A305-E308 WeakPolarHBondContact O-CB 3.47Å; A305-E308 PolarHBondContact O-N 2.84Å; Q306-E308 PolarHBondContact O-N 3.44Å; E308-H326 PolarHBondContact O-CE1 3.3Å
309	R	94.5	Very high	95.8	Very high	80 Å²	80	20.8 Å²	20.8	30%	0.302	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-96.8	12.6	-171.6	-52	-172.6	-144.9	166.9	11	114.2	E236 Q306 C307 T313 W474	E236-R309 VanDerWaalsContact CD-NH1 3.27Å; E236-R309 IonicContact OE1-NH1 3.38Å; E236-R309 PolarHBondContact OE1-NH1 2.85Å; E236-R309 IonicContact OE2-CZ 3.75Å; E236-R309 IonicContact OE2-NH1 3.75Å; E236-R309 PolarHBondContact OE2-NH1 3.04Å; E236-R309 IonicContact OE2-NH2 3.98Å; E236-R309 PolarHBondContact OE2-NH2 2.97Å; Q306-R309 PolarHBondContact O-N 3.09Å; C307-R309 VanDerWaalsContact C-N 3.27Å; C307-R309 PolarHBondContact O-N 2.85Å; R309-T313 HydrophobicContact CB-CG2 4.29Å; R309-T313 WeakPolarHBondContact O-CB 3.27Å; R309-T313 PolarHBondContact O-OG1 3.16Å; R309-W474 HydrophobicContact CB-CB 4.33Å; R309-W474 HydrophobicContact CB-CD2 4.49Å; R309-W474 HydrophobicContact CB-CE3 3.9Å
310	I	96.4	Very high	96.2	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	14%	0.136	C	C	.	.	S	Bend	trans	-59.2	-52.1	-179.7	-64.6	169.1	0	0	0	111.3	Y281 L285 C307 S455 F456 W474 V479	Y281-I310 HydrophobicContact CE1-CD1 4.05Å; L285-I310 HydrophobicContact CD2-CB 4.46Å; L285-I310 HydrophobicContact CD2-CD1 4.32Å; C307-I310 HydrophobicContact CB-CD1 4.14Å; C307-I310 WeakPolarHBondContact O-CD1 3.48Å; C307-I310 WeakPolarHBondContact O-CG1 3.25Å; I310-S455 WeakPolarHBondContact O-CB 3.49Å; I310-S455 PolarHBondContact O-OG 3.1Å; I310-F456 HydrophobicContact CG2-CD1 4.42Å; I310-F456 HydrophobicContact CG2-CE1 3.81Å; I310-F456 WeakPolarHBondContact O-CD1 3.37Å; I310-F456 VanDerWaalsContact O-CE1 3.25Å; I310-F456 WeakPolarHBondContact O-CE1 3.28Å; I310-W474 HydrophobicContact CB-CH2 4.1Å; I310-W474 HydrophobicContact CB-CZ3 4.13Å; I310-W474 HydrophobicContact CG1-CH2 3.72Å; I310-W474 HydrophobicContact CG1-CZ3 3.58Å; I310-W474 HydrophobicContact CG2-CH2 4.4Å; I310-V479 HydrophobicContact CD1-CG1 3.95Å; I310-V479 HydrophobicContact CG1-CG1 3.95Å
311	Y	97.1	Very high	96.3	Very high	5 Å²	5	29 Å²	29	2%	0.02	15%	0.148	C	C	.	.	S	Bend	trans	-107.7	157.3	-174.6	-61.6	-88.4	0	0	0	111.9	F278 Y281 R282 L285 T313 H326 A414 F415 F456 V483	F278-Y311 HydrophobicContact CB-CE1 4.33Å; F278-Y311 HydrophobicContact CD1-CE1 4.27Å; F278-Y311 PolarHBondContact O-OH 2.93Å; F278-Y311 VanDerWaalsContact O-OH 3.06Å; Y281-Y311 AromaticContact CD1-CE2 3.85Å; Y281-Y311 HydrophobicContact CD1-CE2 3.85Å; Y281-Y311 WeakPolarHBondContact CD1-OH 3.38Å; Y281-Y311 HydrophobicContact CE1-CE2 4.3Å; R282-Y311 HydrophobicContact CB-CD1 4.46Å; R282-Y311 HydrophobicContact CB-CD2 3.99Å; R282-Y311 HydrophobicContact CB-CE1 4.18Å; R282-Y311 HydrophobicContact CB-CE2 3.72Å; R282-Y311 HydrophobicContact CB-CG 4.35Å; R282-Y311 HydrophobicContact CG-CD1 4.35Å; R282-Y311 HydrophobicContact CG-CD2 3.72Å; R282-Y311 HydrophobicContact CG-CE2 4Å; R282-Y311 HydrophobicContact CG-CG 3.91Å; L285-Y311 HydrophobicContact CD2-CD2 3.82Å; L285-Y311 HydrophobicContact CD2-CE2 4.04Å; Y311-T313 PolarHBondContact O-N 3.44Å; Y311-T313 PolarHBondContact O-OG1 2.78Å; Y311-H326 PolarHBondContact O-CE1 3.36Å; Y311-H326 PolarHBondContact O-ND1 3Å; Y311-A414 WeakPolarHBondContact CA-O 3.18Å; Y311-F415 AromaticContact CD1-CD1 3.98Å; Y311-F415 HydrophobicContact CD1-CD1 3.98Å; Y311-F415 AromaticContact CE1-CD1 3.98Å; Y311-F415 HydrophobicContact CE1-CD1 3.98Å; Y311-F415 HydrophobicContact CE1-CE1 4.33Å; Y311-F456 HydrophobicContact CD1-CE1 4.08Å; Y311-F456 AromaticContact CD1-CZ 3.92Å; Y311-F456 HydrophobicContact CD1-CZ 3.92Å; Y311-F456 HydrophobicContact CE1-CE1 4.17Å; Y311-F456 AromaticContact CE1-CZ 3.67Å; Y311-F456 HydrophobicContact CE1-CZ 3.67Å; Y311-V483 WeakPolarHBondContact OH-CG2 3.21Å
312	N	96.2	Very high	96.5	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.032	15%	0.149	C	C	.	.	S	Bend	trans	55.1	40	-179.7	-31.3	-49.4	0	0	0	111.6	R282 H326 W327 D329 S330 A414	R282-N312 VanDerWaalsContact CZ-OD1 3.24Å; R282-N312 VanDerWaalsContact NH2-CG 3.34Å; R282-N312 PolarHBondContact NH2-ND2 3.27Å; R282-N312 PolarHBondContact NH2-OD1 3.33Å; N312-H326 WeakPolarHBondContact O-CA 3.25Å; N312-H326 PolarHBondContact O-ND1 2.84Å; N312-W327 HydrophobicContact CB-CB 4.35Å; N312-W327 WeakPolarHBondContact CB-O 3.14Å; N312-W327 PolarHBondContact ND2-O 2.91Å; N312-W327 VanDerWaalsContact ND2-O 3.16Å; N312-W327 VanDerWaalsContact O-CE3 3.31Å; N312-W327 PolarHBondContact O-N 2.9Å; N312-D329 PolarHBondContact ND2-N 3.43Å; N312-S330 WeakPolarHBondContact OD1-CB 3.47Å; N312-S330 PolarHBondContact OD1-N 2.88Å; N312-A414 PolarHBondContact N-O 3.45Å; N312-A414 WeakPolarHBondContact OD1-CA 3.45Å
313	T	98.1	Very high	96.6	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	136	-178.4	-58.3	0	0	0	0	109	R309 Y311 V324 Q325 H326 S455 W474	R309-T313 HydrophobicContact CB-CG2 4.29Å; R309-T313 WeakPolarHBondContact O-CB 3.27Å; R309-T313 PolarHBondContact O-OG1 3.16Å; Y311-T313 PolarHBondContact O-N 3.44Å; Y311-T313 PolarHBondContact O-OG1 2.78Å; T313-V324 HydrophobicContact CG2-CG1 3.46Å; T313-V324 VanDerWaalsContact CG2-CG1 3.46Å; T313-Q325 VanDerWaalsContact CA-O 3.28Å; T313-Q325 WeakPolarHBondContact CA-O 3.12Å; T313-H326 PolarHBondContact OG1-ND1 3.28Å; T313-S455 WeakPolarHBondContact O-CB 3.42Å; T313-S455 PolarHBondContact O-N 3.5Å; T313-S455 PolarHBondContact O-OG 2.98Å; T313-W474 HydrophobicContact CG2-CB 4.44Å; T313-W474 HydrophobicContact CG2-CG 4.47Å
314	T	98.4	Very high	96.7	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	137.3	178.8	-49.3	0	0	0	0	108.5	I316 Q325 E411 D453 K454	T314-I316 HydrophobicContact CG2-CD1 4.35Å; T314-Q325 PolarHBondContact N-O 2.9Å; T314-Q325 PolarHBondContact O-N 2.79Å; T314-E411 HydrophobicContact CG2-CB 4.47Å; T314-E411 HydrophobicContact CG2-CG 4.17Å; T314-E411 WeakPolarHBondContact OG1-CA 3.29Å; T314-E411 PolarHBondContact OG1-O 3.34Å; T314-D453 CarbonylContact C-O 3.59Å; T314-D453 WeakPolarHBondContact CA-O 3.4Å; T314-D453 HydrophobicContact CG2-CB 3.93Å; T314-D453 WeakPolarHBondContact CG2-O 3.3Å; T314-K454 WeakPolarHBondContact OG1-CD 3.46Å; T314-K454 PolarHBondContact OG1-NZ 3.45Å
315	R	98.6	Very high	96.7	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	125.8	169.4	-179.7	172.7	170.9	162.4	0	109.6	Y240 L241 D322 S323 D453 E471	Y240-R315 PolarHBondContact O-NH1 3.28Å; Y240-R315 PolarHBondContact O-NH2 2.94Å; L241-R315 HydrophobicContact CD2-CG 4.27Å; R315-D322 HydrophobicContact CG-CB 4.08Å; R315-D322 IonicContact CZ-OD2 2.72Å; R315-D322 VanDerWaalsContact CZ-OD2 3.26Å; R315-D322 IonicContact NE-OD2 3.96Å; R315-D322 PolarHBondContact NE-OD2 3.46Å; R315-D322 IonicContact NH2-OD2 3.41Å; R315-D322 PolarHBondContact NH2-OD2 3.06Å; R315-S323 CarbonylContact C-O 3.58Å; R315-S323 WeakPolarHBondContact CA-O 3.17Å; R315-D453 HydrophobicContact CB-CB 4.48Å; R315-D453 PolarHBondContact N-O 3.42Å; R315-D453 VanDerWaalsContact O-CB 3.26Å; R315-D453 WeakPolarHBondContact O-CB 3.45Å; R315-E471 HydrophobicContact CB-CG 4.26Å; R315-E471 VanDerWaalsContact CD-OE1 3.32Å; R315-E471 WeakPolarHBondContact CD-OE1 3.45Å; R315-E471 IonicContact NH1-OE1 3Å; R315-E471 PolarHBondContact NH1-OE1 3.05Å; R315-E471 VanDerWaalsContact NH1-OE1 3.14Å
316	I	98.3	Very high	96.7	Very high	14 Å²	14	38.9 Å²	38.9	7%	0.072	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.5	179.6	-54.1	-57.4	0	0	0	108.4	T314 D322 S323 Q325 W327 E411	T314-I316 HydrophobicContact CG2-CD1 4.35Å; I316-D322 CarbonylContact O-C 3.59Å; I316-D322 VanDerWaalsContact O-CA 3.29Å; I316-D322 WeakPolarHBondContact O-CA 3.42Å; I316-D322 WeakPolarHBondContact O-CB 3.09Å; I316-S323 PolarHBondContact N-O 3.27Å; I316-S323 PolarHBondContact O-N 2.83Å; I316-Q325 HydrophobicContact CG1-CB 3.98Å; I316-W327 HydrophobicContact CD1-CH2 4.11Å; I316-E411 VanDerWaalsContact CD1-CD 3.5Å; I316-E411 HydrophobicContact CD1-CG 4.12Å; I316-E411 WeakPolarHBondContact CD1-OE1 3.49Å
317	P	98.3	Very high	96.6	Very high	11 Å²	11	39.7 Å²	39.7	7%	0.071	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-67.6	137.7	180	33	-41.1	0	0	0	111.2	W390 A391 R394	P317-W390 HydrophobicContact CB-CB 4.29Å; P317-W390 HydrophobicContact CB-CG 3.98Å; P317-W390 VanDerWaalsContact CG-CD1 3.45Å; P317-W390 HydrophobicContact CG-CD2 4.05Å; P317-W390 HydrophobicContact CG-CG 3.78Å; P317-A391 HydrophobicContact CB-CB 4.02Å; P317-R394 HydrophobicContact CG-CB 4.4Å
318	G	97.8	Very high	95.9	Very high	17 Å²	17	45.6 Å²	45.6	18%	0.175	23%	0.226	C	C	.	.			trans	-124.8	165.2	168.1	0	0	0	0	0	110.8	R244 T321 D322 A391	R244-G318 PolarHBondContact NH1-O 3Å; G318-T321 WeakPolarHBondContact CA-O 3.32Å; G318-D322 PolarHBondContact N-OD1 3.31Å; G318-A391 VanDerWaalsContact C-CB 3.41Å
319	E	97	Very high	95	Very high	71 Å²	71	42.3 Å²	42.3	33%	0.332	21%	0.212	S	C	.	.	S	Bend	trans	-69.6	-49.5	178.2	-66.6	-164.7	-129.4	0	0	110.9	R244 A391 K392 R395	R244-E319 WeakPolarHBondContact CD-O 3.41Å; R244-E319 PolarHBondContact NH1-O 2.9Å; E319-A391 HydrophobicContact CG-CB 4.2Å; E319-K392 HydrophobicContact CG-CG 4.41Å; E319-K392 WeakPolarHBondContact OE2-CE 3.46Å; E319-K392 IonicContact OE2-NZ 3.96Å; E319-R395 IonicContact OE1-CZ 2.58Å; E319-R395 IonicContact OE1-NH1 3.14Å; E319-R395 PolarHBondContact OE1-NH1 3.17Å; E319-R395 IonicContact OE1-NH2 3.35Å; E319-R395 PolarHBondContact OE1-NH2 3.41Å
320	E	95.1	Very high	94.8	Very high	166 Å²	166	39 Å²	39	78%	0.776	20%	0.201	S	C	*	.	S	Bend	trans	-93.2	-44.8	179	-62	-177.5	175.1	0	0	112.8	R244	R244-E320 VanDerWaalsContact NH1-C 3.3Å; R244-E320 PolarHBondContact NH1-O 2.84Å
321	T	96.6	Very high	94.5	Very high	47 Å²	47	40.9 Å²	40.9	29%	0.288	21%	0.211	S	C	.	.			trans	-140.3	129.5	-174.4	-50.7	0	0	0	0	109.3	E237 L241 R242 G318	E237-T321 HydrophobicContact CG-CG2 4.22Å; L241-T321 HydrophobicContact CB-CG2 4.09Å; R242-T321 HydrophobicContact CG-CG2 3.79Å; G318-T321 WeakPolarHBondContact CA-O 3.32Å
322	D	98.4	Very high	94.5	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.027	21%	0.213	C	C	.	.			trans	-75.4	170	170.8	-67.8	7.9	0	0	0	110.3	L241 R244 R315 I316 G318 R387	L241-D322 HydrophobicContact CB-CB 4.28Å; L241-D322 HydrophobicContact CD2-CB 3.98Å; L241-D322 PolarHBondContact O-N 2.72Å; R244-D322 IonicContact CZ-OD1 3.62Å; R244-D322 IonicContact NH1-OD1 3.59Å; R244-D322 PolarHBondContact NH1-OD1 3.26Å; R244-D322 IonicContact NH2-OD1 2.66Å; R244-D322 PolarHBondContact NH2-OD1 3.45Å; R244-D322 IonicContact NH2-OD2 3.94Å; R315-D322 HydrophobicContact CG-CB 4.08Å; R315-D322 IonicContact CZ-OD2 2.72Å; R315-D322 VanDerWaalsContact CZ-OD2 3.26Å; R315-D322 IonicContact NE-OD2 3.96Å; R315-D322 PolarHBondContact NE-OD2 3.46Å; R315-D322 IonicContact NH2-OD2 3.41Å; R315-D322 PolarHBondContact NH2-OD2 3.06Å; I316-D322 CarbonylContact O-C 3.59Å; I316-D322 VanDerWaalsContact O-CA 3.29Å; I316-D322 WeakPolarHBondContact O-CA 3.42Å; I316-D322 WeakPolarHBondContact O-CB 3.09Å; G318-D322 PolarHBondContact N-OD1 3.31Å; D322-R387 IonicContact OD2-CZ 3.15Å; D322-R387 IonicContact OD2-NE 2.63Å; D322-R387 PolarHBondContact OD2-NE 3.01Å; D322-R387 IonicContact OD2-NH2 2.78Å; D322-R387 PolarHBondContact OD2-NH2 3.34Å; D322-R387 VanDerWaalsContact OD2-NH2 3.08Å
323	S	97.6	Very high	94.6	Very high	59 Å²	59	41.1 Å²	41.1	41%	0.413	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	143	174.3	59.5	0	0	0	0	112	R315 I316	R315-S323 CarbonylContact C-O 3.58Å; R315-S323 WeakPolarHBondContact CA-O 3.17Å; I316-S323 PolarHBondContact N-O 3.27Å; I316-S323 PolarHBondContact O-N 2.83Å
324	V	97.4	Very high	94.6	Very high	29 Å²	29	41.1 Å²	41.1	18%	0.176	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	113	171.2	-178.2	0	0	0	0	108.5	L241 T313 S473 W474	L241-V324 HydrophobicContact CD1-CG2 4.32Å; L241-V324 HydrophobicContact CD2-CG2 3.88Å; T313-V324 HydrophobicContact CG2-CG1 3.46Å; T313-V324 VanDerWaalsContact CG2-CG1 3.46Å; V324-S473 WeakPolarHBondContact CG2-OG 3.39Å; V324-W474 HydrophobicContact CG1-CB 4.08Å
325	Q	97.1	Very high	94.7	Very high	80 Å²	80	41.1 Å²	41.1	37%	0.374	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	125.8	177.5	-166.6	164.2	23.1	0	0	110.4	T313 T314 I316 W327	T313-Q325 VanDerWaalsContact CA-O 3.28Å; T313-Q325 WeakPolarHBondContact CA-O 3.12Å; T314-Q325 PolarHBondContact N-O 2.9Å; T314-Q325 PolarHBondContact O-N 2.79Å; I316-Q325 HydrophobicContact CG1-CB 3.98Å; Q325-W327 HydrophobicContact CB-CH2 3.59Å; Q325-W327 HydrophobicContact CB-CZ2 3.88Å; Q325-W327 HydrophobicContact CB-CZ3 3.95Å; Q325-W327 HydrophobicContact CG-CD2 4.08Å; Q325-W327 HydrophobicContact CG-CE3 4.32Å; Q325-W327 HydrophobicContact CG-CH2 3.71Å; Q325-W327 HydrophobicContact CG-CZ2 3.46Å; Q325-W327 VanDerWaalsContact CG-CZ2 3.46Å; Q325-W327 HydrophobicContact CG-CZ3 4.12Å; Q325-W327 WeakPolarHBondContact O-CZ3 3.28Å
326	H	95.4	Very high	94.7	Very high	76 Å²	76	41.6 Å²	41.6	35%	0.352	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125.5	174.6	-179	69.9	0	0	0	109.7	E308 Y311 N312 T313	E308-H326 PolarHBondContact O-CE1 3.3Å; Y311-H326 PolarHBondContact O-CE1 3.36Å; Y311-H326 PolarHBondContact O-ND1 3Å; N312-H326 WeakPolarHBondContact O-CA 3.25Å; N312-H326 PolarHBondContact O-ND1 2.84Å; T313-H326 PolarHBondContact OG1-ND1 3.28Å
327	W	91.8	Very high	94.7	Very high	35 Å²	35	41 Å²	41	13%	0.133	21%	0.211	C	C	.	.			trans	-105.8	148.3	179.3	-64.8	-90.7	0	0	0	112.6	N312 I316 Q325 D329 E411 R412	N312-W327 HydrophobicContact CB-CB 4.35Å; N312-W327 WeakPolarHBondContact CB-O 3.14Å; N312-W327 PolarHBondContact ND2-O 2.91Å; N312-W327 VanDerWaalsContact ND2-O 3.16Å; N312-W327 VanDerWaalsContact O-CE3 3.31Å; N312-W327 PolarHBondContact O-N 2.9Å; I316-W327 HydrophobicContact CD1-CH2 4.11Å; Q325-W327 HydrophobicContact CB-CH2 3.59Å; Q325-W327 HydrophobicContact CB-CZ2 3.88Å; Q325-W327 HydrophobicContact CB-CZ3 3.95Å; Q325-W327 HydrophobicContact CG-CD2 4.08Å; Q325-W327 HydrophobicContact CG-CE3 4.32Å; Q325-W327 HydrophobicContact CG-CH2 3.71Å; Q325-W327 HydrophobicContact CG-CZ2 3.46Å; Q325-W327 VanDerWaalsContact CG-CZ2 3.46Å; Q325-W327 HydrophobicContact CG-CZ3 4.12Å; Q325-W327 WeakPolarHBondContact O-CZ3 3.28Å; W327-D329 PolarHBondContact O-N 3.46Å; W327-E411 HydrophobicContact CH2-CB 3.72Å; W327-E411 HydrophobicContact CZ2-CB 4.06Å; W327-E411 HydrophobicContact CZ3-CB 4.42Å; W327-E411 WeakPolarHBondContact CZ3-O 3.46Å; W327-R412 HydrophobicContact CD2-CG 3.87Å; W327-R412 HydrophobicContact CG-CG 3.93Å; W327-R412 HydrophobicContact CZ2-CG 4.3Å
328	E	80.9	Confident	94.6	Very high	134 Å²	134	47.5 Å²	47.5	63%	0.626	23%	0.233	S	C	*	.	S	Bend	trans	-69.4	128.4	170.9	-63.3	-156	-164.1	0	0	111.4	R45	R45-E328 IonicContact CZ-OE2 3.53Å; R45-E328 IonicContact NH1-OE1 3.7Å; R45-E328 IonicContact NH1-OE2 3.22Å; R45-E328 PolarHBondContact NH1-OE2 3.15Å; R45-E328 IonicContact NH2-OE2 2.79Å; R45-E328 PolarHBondContact NH2-OE2 3.01Å
329	D	74.8	Confident	94.6	Very high	48 Å²	48	46.8 Å²	46.8	26%	0.257	23%	0.226	S	C	.	.			trans	47	75.8	156.5	-77	-43.6	0	0	0	116.8	K41 R45 N312 W327	K41-D329 WeakPolarHBondContact CD-OD2 3.42Å; K41-D329 IonicContact NZ-OD1 2.79Å; K41-D329 PolarHBondContact NZ-OD1 3.01Å; K41-D329 IonicContact NZ-OD2 2.87Å; R45-D329 IonicContact CZ-OD2 3.99Å; R45-D329 IonicContact NH2-OD2 2.7Å; R45-D329 PolarHBondContact NH2-OD2 3.26Å; N312-D329 PolarHBondContact ND2-N 3.43Å; W327-D329 PolarHBondContact O-N 3.46Å
330	S	88.8	Confident	94.6	Very high	10 Å²	10	43.8 Å²	43.8	7%	0.07	21%	0.212	C	C	.	.			trans	-76.4	141.6	163.9	-161.2	0	0	0	0	113	R282 N312 Y332 R412 A414	R282-S330 VanDerWaalsContact CZ-O 3.28Å; R282-S330 PolarHBondContact NH1-O 2.67Å; R282-S330 PolarHBondContact NH2-O 3.38Å; N312-S330 WeakPolarHBondContact OD1-CB 3.47Å; N312-S330 PolarHBondContact OD1-N 2.88Å; S330-Y332 PolarHBondContact OG-O 3.35Å; S330-R412 WeakPolarHBondContact CB-O 3.25Å; S330-R412 PolarHBondContact OG-O 2.89Å; S330-A414 PolarHBondContact OG-N 3.21Å
331	D	91	Very high	94.8	Very high	41 Å²	41	36 Å²	36	22%	0.219	18%	0.175	C	C	.	.			trans	-109	10.8	176.6	71.6	-22.8	0	0	0	113.9	R343 V346 Y347	D331-R343 IonicContact OD1-NH2 3.06Å; D331-V346 WeakPolarHBondContact O-CG2 3.39Å; D331-V346 PolarHBondContact O-N 3.44Å; D331-Y347 HydrophobicContact CB-CD2 3.8Å; D331-Y347 HydrophobicContact CB-CG 4.45Å
332	Y	96.6	Very high	94.9	Very high	17 Å²	17	33.8 Å²	33.8	7%	0.067	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	169.2	-177.9	64.4	-91.1	0	0	0	111.6	S330 R343 L344 C409 A413 A414	S330-Y332 PolarHBondContact OG-O 3.35Å; Y332-R343 HydrophobicContact CD1-CG 4.46Å; Y332-R343 VanDerWaalsContact CD1-NE 3.3Å; Y332-R343 HydrophobicContact CD2-CG 3.64Å; Y332-R343 HydrophobicContact CE2-CG 4.19Å; Y332-R343 HydrophobicContact CG-CG 3.79Å; Y332-L344 CarbonylContact C-O 3.52Å; Y332-L344 WeakPolarHBondContact CA-O 3.45Å; Y332-L344 WeakPolarHBondContact CB-O 3.42Å; Y332-C409 VanDerWaalsContact CE2-O 3.23Å; Y332-C409 WeakPolarHBondContact CE2-O 3.34Å; Y332-C409 WeakPolarHBondContact CE2-SG 3.13Å; Y332-C409 PolarHBondContact OH-O 3.39Å; Y332-A413 HydrophobicContact CD2-CB 4.17Å; Y332-A413 HydrophobicContact CE2-CB 3.85Å; Y332-A414 WeakPolarHBondContact O-CB 3.36Å; Y332-A414 PolarHBondContact O-N 3.18Å
333	I	98.7	Very high	94.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	157.6	167.9	57.2	170.4	0	0	0	109.7	I275 F279 V335 L344 V346 A414 F415 V417	I275-I333 HydrophobicContact CD1-CD1 3.67Å; I275-I333 HydrophobicContact CG1-CD1 4.22Å; I275-I333 HydrophobicContact CG2-CD1 4.03Å; F279-I333 HydrophobicContact CE2-CG2 3.75Å; F279-I333 HydrophobicContact CZ-CG2 3.89Å; I333-V335 HydrophobicContact CD1-CG2 3.86Å; I333-V335 HydrophobicContact CG1-CG2 3.99Å; I333-L344 HydrophobicContact CD1-CB 4.49Å; I333-L344 HydrophobicContact CD1-CD2 4.07Å; I333-L344 HydrophobicContact CG1-CB 3.94Å; I333-L344 HydrophobicContact CG1-CD2 4.37Å; I333-L344 HydrophobicContact CG1-CG 4.28Å; I333-L344 PolarHBondContact N-O 3.37Å; I333-L344 PolarHBondContact O-N 3.04Å; I333-V346 HydrophobicContact CD1-CG1 4.5Å; I333-V346 HydrophobicContact CG1-CG1 4.2Å; I333-A414 HydrophobicContact CG2-CB 4.22Å; I333-F415 HydrophobicContact CG2-CD1 3.93Å; I333-F415 HydrophobicContact CG2-CD2 4.27Å; I333-F415 HydrophobicContact CG2-CE1 3.65Å; I333-F415 HydrophobicContact CG2-CE2 4.01Å; I333-F415 HydrophobicContact CG2-CG 4.24Å; I333-F415 HydrophobicContact CG2-CZ 3.7Å; I333-V417 HydrophobicContact CD1-CB 4.47Å; I333-V417 HydrophobicContact CD1-CG2 3.71Å
334	A	98.8	Very high	94.9	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.008	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129	168.8	0	0	0	0	0	108.2	F342 I410 A413 F415 F416 V417	A334-F342 CarbonylContact C-O 3.51Å; A334-F342 WeakPolarHBondContact CA-O 3.5Å; A334-I410 HydrophobicContact CB-CB 4.47Å; A334-I410 HydrophobicContact CB-CG1 4.15Å; A334-A413 HydrophobicContact CB-CB 3.75Å; A334-F415 PolarHBondContact N-O 3.22Å; A334-F416 HydrophobicContact CB-CD2 3.77Å; A334-F416 HydrophobicContact CB-CE2 4.11Å; A334-F416 CarbonylContact O-C 3.33Å; A334-V417 PolarHBondContact O-N 2.81Å
335	V	98.9	Very high	94.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.5	-176.4	-173.6	0	0	0	0	108.9	I333 Y341 F342 L344 I362 I365 V417 L419	I333-V335 HydrophobicContact CD1-CG2 3.86Å; I333-V335 HydrophobicContact CG1-CG2 3.99Å; V335-Y341 CarbonylContact O-C 3.58Å; V335-Y341 WeakPolarHBondContact O-CA 3.47Å; V335-F342 HydrophobicContact CB-CB 4.34Å; V335-F342 PolarHBondContact N-O 3.48Å; V335-F342 PolarHBondContact O-N 3.01Å; V335-L344 HydrophobicContact CG2-CB 3.89Å; V335-L344 HydrophobicContact CG2-CD2 4.28Å; V335-I362 HydrophobicContact CG1-CD1 4.5Å; V335-I362 HydrophobicContact CG2-CD1 4.47Å; V335-I365 HydrophobicContact CB-CD1 4.01Å; V335-I365 HydrophobicContact CG1-CD1 3.93Å; V335-I365 HydrophobicContact CG1-CG2 4.33Å; V335-I365 HydrophobicContact CG2-CD1 4.11Å; V335-V417 CarbonylContact C-O 3.42Å; V335-V417 WeakPolarHBondContact CA-O 3.34Å; V335-V417 HydrophobicContact CG1-CB 4.39Å; V335-V417 HydrophobicContact CG1-CG1 4.16Å; V335-V417 HydrophobicContact CG2-CB 4.26Å; V335-L419 HydrophobicContact CG1-CD1 3.61Å; V335-L419 HydrophobicContact CG1-CG 3.87Å
336	Y	98.7	Very high	94.7	Very high	13 Å²	13	34.4 Å²	34.4	5%	0.051	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.9	171.5	173.4	-88.4	0	0	0	110.2	G339 R340 Y341 A377 V417 L419 Y448 D449	Y336-G339 VanDerWaalsContact CE2-CA 3.49Å; Y336-G339 VanDerWaalsContact CZ-N 3.29Å; Y336-G339 WeakPolarHBondContact OH-CA 3.37Å; Y336-G339 PolarHBondContact OH-N 3.37Å; Y336-G339 VanDerWaalsContact OH-N 3.1Å; Y336-R340 VanDerWaalsContact CA-O 3.31Å; Y336-R340 WeakPolarHBondContact CA-O 3.17Å; Y336-Y341 HydrophobicContact CD2-CD1 4.16Å; Y336-Y341 AromaticContact CD2-CE1 3.7Å; Y336-Y341 HydrophobicContact CD2-CE1 3.7Å; Y336-Y341 HydrophobicContact CD2-CE2 4.14Å; Y336-Y341 AromaticContact CD2-CZ 3.66Å; Y336-Y341 HydrophobicContact CE2-CE1 4.47Å; Y336-Y341 HydrophobicContact CE2-CE2 4.32Å; Y336-Y341 AromaticContact CE2-CZ 3.99Å; Y336-A377 PolarHBondContact OH-O 3.13Å; Y336-V417 PolarHBondContact N-O 3.27Å; Y336-L419 PolarHBondContact O-N 2.78Å; Y336-Y448 WeakPolarHBondContact OH-CD2 3.45Å; Y336-Y448 WeakPolarHBondContact OH-CE2 3.47Å; Y336-D449 HydrophobicContact CD1-CB 4.02Å; Y336-D449 HydrophobicContact CE1-CB 3.35Å
337	H	98.4	Very high	94.4	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.009	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	127.6	169.1	-176.2	51.4	0	0	0	111	G339 R340 I365 L419 D421	H337-G339 VanDerWaalsContact C-N 3.31Å; H337-G339 PolarHBondContact O-N 2.94Å; H337-R340 PolarHBondContact CD2-NH2 2.75Å; H337-R340 PolarHBondContact N-O 3.48Å; H337-R340 WeakPolarHBondContact O-CB 3.37Å; H337-R340 PolarHBondContact O-N 3.44Å; H337-R340 PolarHBondContact O-NE 2.98Å; H337-I365 HydrophobicContact CB-CG2 3.9Å; H337-L419 HydrophobicContact CB-CB 4.06Å; H337-L419 HydrophobicContact CB-CD1 4.26Å; H337-L419 PolarHBondContact ND1-O 3.19Å; H337-D421 IonicContact CE1-OD1 2.88Å; H337-D421 IonicContact CE1-OD2 3.18Å
338	R	96.5	Very high	94.1	Very high	146 Å²	146	32.4 Å²	32.4	55%	0.551	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.2	49.2	178.3	-71.8	180	178.4	177.6	5.5	114.2	R340 D421	R338-R340 VanDerWaalsContact C-N 3.3Å; R338-R340 PolarHBondContact O-N 2.89Å; R338-D421 WeakPolarHBondContact CG-OD2 3.45Å; R338-D421 IonicContact CZ-OD1 3.12Å; R338-D421 VanDerWaalsContact CZ-OD1 3.28Å; R338-D421 IonicContact CZ-OD2 3.28Å; R338-D421 VanDerWaalsContact NE-CG 3.31Å; R338-D421 IonicContact NE-OD1 2.83Å; R338-D421 PolarHBondContact NE-OD1 2.89Å; R338-D421 IonicContact NE-OD2 3.35Å; R338-D421 PolarHBondContact NE-OD2 3.23Å; R338-D421 IonicContact NH2-OD1 3.91Å; R338-D421 PolarHBondContact NH2-OD1 3.29Å; R338-D421 IonicContact NH2-OD2 2.78Å
339	G	97.2	Very high	94	Very high	2 Å²	2	28.7 Å²	28.7	2%	0.021	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	12.6	177.3	0	0	0	0	0	115.2	Y336 H337 P372 E376 A377	Y336-G339 VanDerWaalsContact CE2-CA 3.49Å; Y336-G339 VanDerWaalsContact CZ-N 3.29Å; Y336-G339 WeakPolarHBondContact OH-CA 3.37Å; Y336-G339 PolarHBondContact OH-N 3.37Å; Y336-G339 VanDerWaalsContact OH-N 3.1Å; H337-G339 VanDerWaalsContact C-N 3.31Å; H337-G339 PolarHBondContact O-N 2.94Å; G339-P372 WeakPolarHBondContact O-CB 3.4Å; G339-E376 CarbonylContact O-C 3.52Å; G339-E376 VanDerWaalsContact O-CG 3.29Å; G339-E376 WeakPolarHBondContact O-CG 3.5Å; G339-A377 WeakPolarHBondContact O-CA 3.44Å
340	R	97.9	Very high	94.1	Very high	8 Å²	8	28 Å²	28	3%	0.03	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145.7	-176.4	-59.3	165.8	-62.6	166.9	-0.3	110.5	Y336 H337 R338 F342 D368 V370 P372 E376	Y336-R340 VanDerWaalsContact CA-O 3.31Å; Y336-R340 WeakPolarHBondContact CA-O 3.17Å; H337-R340 PolarHBondContact CD2-NH2 2.75Å; H337-R340 PolarHBondContact N-O 3.48Å; H337-R340 WeakPolarHBondContact O-CB 3.37Å; H337-R340 PolarHBondContact O-N 3.44Å; H337-R340 PolarHBondContact O-NE 2.98Å; R338-R340 VanDerWaalsContact C-N 3.3Å; R338-R340 PolarHBondContact O-N 2.89Å; R340-F342 HydrophobicContact CB-CD2 4.47Å; R340-F342 HydrophobicContact CB-CE2 3.58Å; R340-F342 HydrophobicContact CB-CZ 3.99Å; R340-D368 PolarHBondContact NH1-O 2.8Å; R340-D368 IonicContact NH1-OD1 3.29Å; R340-D368 PolarHBondContact NH1-OD1 2.76Å; R340-D368 PolarHBondContact NH2-O 3.22Å; R340-V370 WeakPolarHBondContact CD-O 3.04Å; R340-V370 PolarHBondContact NH1-O 3.5Å; R340-P372 HydrophobicContact CG-CB 3.87Å; R340-E376 WeakPolarHBondContact CA-OE1 3.36Å
341	Y	98.6	Very high	94.2	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.008	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.7	-178.8	-58.6	-98.7	0	0	0	110.9	V335 Y336 E376 L379 G380 I410 F416 W451 L517 W519	V335-Y341 CarbonylContact O-C 3.58Å; V335-Y341 WeakPolarHBondContact O-CA 3.47Å; Y336-Y341 HydrophobicContact CD2-CD1 4.16Å; Y336-Y341 AromaticContact CD2-CE1 3.7Å; Y336-Y341 HydrophobicContact CD2-CE1 3.7Å; Y336-Y341 HydrophobicContact CD2-CE2 4.14Å; Y336-Y341 AromaticContact CD2-CZ 3.66Å; Y336-Y341 HydrophobicContact CE2-CE1 4.47Å; Y336-Y341 HydrophobicContact CE2-CE2 4.32Å; Y336-Y341 AromaticContact CE2-CZ 3.99Å; Y341-E376 HydrophobicContact CD2-CG 3.89Å; Y341-E376 HydrophobicContact CE2-CG 4.04Å; Y341-E376 PolarHBondContact N-OE1 3.01Å; Y341-L379 HydrophobicContact CE2-CB 4.12Å; Y341-L379 HydrophobicContact CE2-CD2 4.16Å; Y341-G380 PolarHBondContact OH-N 3Å; Y341-I410 HydrophobicContact CD1-CD1 3.62Å; Y341-I410 HydrophobicContact CE1-CD1 4.08Å; Y341-I410 HydrophobicContact CG-CD1 4.2Å; Y341-F416 HydrophobicContact CD1-CE2 4.09Å; Y341-F416 HydrophobicContact CD1-CZ 4.01Å; Y341-F416 HydrophobicContact CE1-CE2 4.19Å; Y341-F416 AromaticContact CE1-CZ 3.82Å; Y341-F416 HydrophobicContact CE1-CZ 3.82Å; Y341-W451 HydrophobicContact CE1-CE3 4.07Å; Y341-W451 HydrophobicContact CE1-CZ3 4.04Å; Y341-L517 PolarHBondContact O-N 3.45Å; Y341-W519 HydrophobicContact CD2-CZ2 4.34Å; Y341-W519 AromaticContact CD2-NE1 3.78Å; Y341-W519 HydrophobicContact CG-CZ2 4.38Å
342	F	98.8	Very high	94.3	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.009	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.8	-178.3	-57.9	-99.3	0	0	0	110.9	A334 V335 R340 I365 D368 Q515 K516	A334-F342 CarbonylContact C-O 3.51Å; A334-F342 WeakPolarHBondContact CA-O 3.5Å; V335-F342 HydrophobicContact CB-CB 4.34Å; V335-F342 PolarHBondContact N-O 3.48Å; V335-F342 PolarHBondContact O-N 3.01Å; R340-F342 HydrophobicContact CB-CD2 4.47Å; R340-F342 HydrophobicContact CB-CE2 3.58Å; R340-F342 HydrophobicContact CB-CZ 3.99Å; F342-I365 HydrophobicContact CB-CD1 4.05Å; F342-I365 HydrophobicContact CB-CG1 4.48Å; F342-I365 HydrophobicContact CD1-CG1 4.28Å; F342-I365 HydrophobicContact CD2-CG2 3.65Å; F342-I365 HydrophobicContact CE2-CG2 3.62Å; F342-I365 HydrophobicContact CG-CD1 4.25Å; F342-I365 HydrophobicContact CG-CG1 4.19Å; F342-I365 HydrophobicContact CG-CG2 4.17Å; F342-I365 HydrophobicContact CZ-CG2 4.11Å; F342-D368 WeakPolarHBondContact CE1-OD2 3.47Å; F342-D368 HydrophobicContact CZ-CB 4.41Å; F342-Q515 CarbonylContact C-O 3.49Å; F342-Q515 WeakPolarHBondContact CA-O 3.41Å; F342-K516 HydrophobicContact CD1-CB 3.85Å; F342-K516 HydrophobicContact CD1-CG 4.27Å; F342-K516 HydrophobicContact CE1-CB 3.76Å; F342-K516 HydrophobicContact CE1-CD 4.47Å; F342-K516 HydrophobicContact CE1-CG 3.96Å; F342-K516 HydrophobicContact CZ-CG 4.36Å
343	R	98.4	Very high	94.2	Very high	54 Å²	54	30.9 Å²	30.9	20%	0.204	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	113.6	163.2	-178.8	-177	-179.1	-176.3	-1.5	108.8	D331 Y332 Q515 L517	D331-R343 IonicContact OD1-NH2 3.06Å; Y332-R343 HydrophobicContact CD1-CG 4.46Å; Y332-R343 VanDerWaalsContact CD1-NE 3.3Å; Y332-R343 HydrophobicContact CD2-CG 3.64Å; Y332-R343 HydrophobicContact CE2-CG 4.19Å; Y332-R343 HydrophobicContact CG-CG 3.79Å; R343-Q515 HydrophobicContact CB-CB 4.3Å; R343-Q515 PolarHBondContact N-O 2.95Å; R343-Q515 PolarHBondContact O-N 2.97Å; R343-L517 HydrophobicContact CB-CD2 4.08Å
344	L	98.3	Very high	94.1	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	107.4	172.8	174.1	56.5	0	0	0	109.9	Y332 I333 V335 Q361 I362 P514	Y332-L344 CarbonylContact C-O 3.52Å; Y332-L344 WeakPolarHBondContact CA-O 3.45Å; Y332-L344 WeakPolarHBondContact CB-O 3.42Å; I333-L344 HydrophobicContact CD1-CB 4.49Å; I333-L344 HydrophobicContact CD1-CD2 4.07Å; I333-L344 HydrophobicContact CG1-CB 3.94Å; I333-L344 HydrophobicContact CG1-CD2 4.37Å; I333-L344 HydrophobicContact CG1-CG 4.28Å; I333-L344 PolarHBondContact N-O 3.37Å; I333-L344 PolarHBondContact O-N 3.04Å; V335-L344 HydrophobicContact CG2-CB 3.89Å; V335-L344 HydrophobicContact CG2-CD2 4.28Å; L344-Q361 HydrophobicContact CD1-CB 3.59Å; L344-Q361 HydrophobicContact CD1-CG 4.13Å; L344-Q361 HydrophobicContact CD2-CB 4.42Å; L344-I362 HydrophobicContact CD2-CD1 3.65Å; L344-I362 HydrophobicContact CD2-CG1 4.17Å; L344-P514 HydrophobicContact CD1-CB 4.48Å; L344-P514 HydrophobicContact CD1-CG 4.16Å
345	R	95.6	Very high	94.1	Very high	130 Å²	130	32.9 Å²	32.9	49%	0.491	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	134.1	170.1	-67.7	-173.6	-178.6	-149.7	4.7	109.3	L353	R345-L353 WeakPolarHBondContact O-CD1 3.49Å
346	V	94.1	Very high	94	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.17	C	C	.	.			trans	-113	5.5	179.8	-62.5	0	0	0	0	112.5	I275 F279 D331 I333 I352 L353	I275-V346 HydrophobicContact CG2-CG1 4.11Å; F279-V346 HydrophobicContact CD1-CG2 3.89Å; F279-V346 HydrophobicContact CD2-CB 4.31Å; F279-V346 HydrophobicContact CD2-CG1 4.47Å; F279-V346 HydrophobicContact CD2-CG2 3.87Å; F279-V346 HydrophobicContact CE1-CG2 3.36Å; F279-V346 HydrophobicContact CE2-CB 4Å; F279-V346 HydrophobicContact CE2-CG1 3.89Å; F279-V346 HydrophobicContact CE2-CG2 3.37Å; F279-V346 HydrophobicContact CG-CG2 4.13Å; F279-V346 HydrophobicContact CZ-CB 4.2Å; F279-V346 HydrophobicContact CZ-CG1 4.32Å; F279-V346 HydrophobicContact CZ-CG2 3.11Å; D331-V346 WeakPolarHBondContact O-CG2 3.39Å; D331-V346 PolarHBondContact O-N 3.44Å; I333-V346 HydrophobicContact CD1-CG1 4.5Å; I333-V346 HydrophobicContact CG1-CG1 4.2Å; V346-I352 WeakPolarHBondContact O-CA 3.46Å; V346-L353 PolarHBondContact O-N 2.74Å
347	Y	90.1	Very high	94	Very high	28 Å²	28	35.7 Å²	35.7	11%	0.11	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.5	173.1	-71.3	-90.8	0	0	0	110.1	R37 F279 D331 R351 I352	R37-Y347 VanDerWaalsContact CZ-CD1 3.49Å; F279-Y347 AromaticContact CD1-CE2 3.67Å; F279-Y347 HydrophobicContact CD1-CE2 3.67Å; F279-Y347 AromaticContact CD1-CZ 3.98Å; F279-Y347 AromaticContact CE1-CE2 3.7Å; F279-Y347 HydrophobicContact CE1-CE2 3.7Å; D331-Y347 HydrophobicContact CB-CD2 3.8Å; D331-Y347 HydrophobicContact CB-CG 4.45Å; Y347-R351 WeakPolarHBondContact CA-O 3.36Å; Y347-R351 WeakPolarHBondContact CD1-O 3.49Å; Y347-I352 HydrophobicContact CD1-CB 4.5Å; Y347-I352 HydrophobicContact CD1-CG1 3.85Å; Y347-I352 HydrophobicContact CE1-CB 4.31Å; Y347-I352 HydrophobicContact CE1-CD1 4.21Å; Y347-I352 HydrophobicContact CE1-CG1 3.25Å
348	Q	84.4	Confident	94	Very high	41 Å²	41	35.6 Å²	35.6	19%	0.192	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	142.5	172.6	-178.4	158.1	-16.4	0	0	109.4	G350 R351 L353	Q348-G350 PolarHBondContact O-N 2.9Å; Q348-G350 VanDerWaalsContact O-N 3.09Å; Q348-R351 PolarHBondContact N-O 3.2Å; Q348-R351 WeakPolarHBondContact O-CG 3.4Å; Q348-R351 PolarHBondContact O-N 3.16Å; Q348-L353 HydrophobicContact CB-CD2 3.84Å
349	A	79.7	Confident	94.1	Very high	56 Å²	56	28.8 Å²	28.8	46%	0.463	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	43.7	177.1	0	0	0	0	0	113.8	E30 R351	E30-A349 WeakPolarHBondContact OE1-CA 3.37Å; E30-A349 PolarHBondContact OE1-N 3.48Å; A349-R351 VanDerWaalsContact C-N 3.25Å; A349-R351 PolarHBondContact O-N 2.81Å
350	G	77.8	Confident	94.1	Very high	35 Å²	35	31.8 Å²	31.8	36%	0.361	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	-15.8	178.7	0	0	0	0	0	115.8	R37 Q348	R37-G350 PolarHBondContact NH2-O 3.28Å; Q348-G350 PolarHBondContact O-N 2.9Å; Q348-G350 VanDerWaalsContact O-N 3.09Å
351	R	88.9	Confident	94.2	Very high	99 Å²	99	31.8 Å²	31.8	37%	0.374	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	162.5	-179	63.6	173.6	-177.5	87.2	-3.2	113.8	Y347 Q348 A349 E357	Y347-R351 WeakPolarHBondContact CA-O 3.36Å; Y347-R351 WeakPolarHBondContact CD1-O 3.49Å; Q348-R351 PolarHBondContact N-O 3.2Å; Q348-R351 WeakPolarHBondContact O-CG 3.4Å; Q348-R351 PolarHBondContact O-N 3.16Å; A349-R351 VanDerWaalsContact C-N 3.25Å; A349-R351 PolarHBondContact O-N 2.81Å; R351-E357 IonicContact CZ-OE1 2.83Å; R351-E357 IonicContact CZ-OE2 3.04Å; R351-E357 IonicContact NH1-OE1 2.68Å; R351-E357 IonicContact NH1-OE2 2.74Å; R351-E357 PolarHBondContact NH1-OE2 2.86Å; R351-E357 IonicContact NH2-OE1 3.26Å; R351-E357 PolarHBondContact NH2-OE1 3.17Å; R351-E357 IonicContact NH2-OE2 3.73Å; R351-E357 PolarHBondContact NH2-OE2 3.43Å
352	I	92.9	Very high	94.2	Very high	24 Å²	24	31.7 Å²	31.7	12%	0.123	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	142.1	165.5	-57	165.6	0	0	0	106.6	F279 V346 Y347	F279-I352 HydrophobicContact CB-CD1 4.27Å; F279-I352 HydrophobicContact CB-CG2 4.18Å; V346-I352 WeakPolarHBondContact O-CA 3.46Å; Y347-I352 HydrophobicContact CD1-CB 4.5Å; Y347-I352 HydrophobicContact CD1-CG1 3.85Å; Y347-I352 HydrophobicContact CE1-CB 4.31Å; Y347-I352 HydrophobicContact CE1-CD1 4.21Å; Y347-I352 HydrophobicContact CE1-CG1 3.25Å
353	L	95.8	Very high	94.1	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-60	143.5	171.8	-65.3	-175	0	0	0	110.7	H276 R345 V346 Q348 E357 I358 L511	H276-L353 PolarHBondContact CE1-O 2.78Å; H276-L353 VanDerWaalsContact CE1-O 3.26Å; H276-L353 PolarHBondContact ND1-O 3.32Å; R345-L353 WeakPolarHBondContact O-CD1 3.49Å; V346-L353 PolarHBondContact O-N 2.74Å; Q348-L353 HydrophobicContact CB-CD2 3.84Å; L353-E357 WeakPolarHBondContact CA-OE2 3.47Å; L353-E357 HydrophobicContact CB-CB 4.15Å; L353-I358 HydrophobicContact CB-CD1 4.22Å; L353-I358 HydrophobicContact CB-CG1 3.65Å; L353-I358 HydrophobicContact CD1-CG1 4.38Å; L353-L511 HydrophobicContact CD2-CD2 3.72Å
354	S	96.9	Very high	94.1	Very high	29 Å²	29	36.1 Å²	36.1	20%	0.203	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-65.7	158.5	173.4	82.8	0	0	0	0	110	R356 E357 I358	S354-R356 PolarHBondContact O-N 3.12Å; S354-R356 PolarHBondContact OG-N 2.72Å; S354-E357 PolarHBondContact N-OE2 2.84Å; S354-E357 PolarHBondContact O-N 3.41Å; S354-E357 VanDerWaalsContact OG-CG 3.3Å; S354-E357 WeakPolarHBondContact OG-CG 3.31Å; S354-E357 PolarHBondContact OG-N 3.27Å; S354-E357 VanDerWaalsContact OG-N 3.16Å; S354-I358 WeakPolarHBondContact O-CG1 3.32Å; S354-I358 PolarHBondContact O-N 3.14Å
355	P	98.1	Very high	94.1	Very high	15 Å²	15	36.1 Å²	36.1	10%	0.097	18%	0.175	C	C	.	.	H	α-helix	trans	-55.7	-38.6	176.1	-26	34.5	0	0	0	113.8	G272 N273 H276 I358 E359 L495 C503	G272-P355 WeakPolarHBondContact CA-O 3.45Å; N273-P355 WeakPolarHBondContact OD1-CB 3.39Å; H276-P355 HydrophobicContact CB-CB 4.44Å; H276-P355 HydrophobicContact CB-CG 3.95Å; P355-I358 PolarHBondContact O-N 3.36Å; P355-E359 WeakPolarHBondContact O-CB 3.47Å; P355-E359 PolarHBondContact O-N 3.37Å; P355-L495 HydrophobicContact CG-CD1 4.38Å; P355-L495 HydrophobicContact CG-CD2 4.22Å; P355-C503 HydrophobicContact CB-CB 3.87Å
356	R	97.8	Very high	94.3	Very high	65 Å²	65	31.2 Å²	31.2	25%	0.245	16%	0.158	C	C	.	.	H	α-helix	trans	-68.3	-36.1	177.9	-174.1	58.3	172.3	164.7	-2.5	113	S354 E359 F360 H502 C503 G505 V507	S354-R356 PolarHBondContact O-N 3.12Å; S354-R356 PolarHBondContact OG-N 2.72Å; R356-E359 VanDerWaalsContact CD-OE2 3.24Å; R356-E359 WeakPolarHBondContact CD-OE2 3.38Å; R356-E359 IonicContact CZ-OE2 3.6Å; R356-E359 IonicContact NE-OE2 2.89Å; R356-E359 IonicContact NH1-OE1 2.73Å; R356-E359 PolarHBondContact NH1-OE1 2.95Å; R356-E359 IonicContact NH1-OE2 3.9Å; R356-E359 PolarHBondContact NH1-OE2 3.31Å; R356-F360 WeakPolarHBondContact O-CB 3.47Å; R356-F360 PolarHBondContact O-N 3Å; R356-H502 VanDerWaalsContact NH1-CG 3.31Å; R356-H502 PolarHBondContact NH1-ND1 2.96Å; R356-C503 HydrophobicContact CB-CB 4.02Å; R356-C503 WeakPolarHBondContact CD-O 3.41Å; R356-G505 WeakPolarHBondContact CG-O 3.26Å; R356-V507 HydrophobicContact CG-CG2 3.62Å
357	E	97.8	Very high	94.4	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.028	19%	0.185	C	C	.	.	H	α-helix	trans	-67.9	-39.3	173.2	-70.2	174.4	142.3	0	0	112.3	R351 L353 S354 F360 Q361 L511	R351-E357 IonicContact CZ-OE1 2.83Å; R351-E357 IonicContact CZ-OE2 3.04Å; R351-E357 IonicContact NH1-OE1 2.68Å; R351-E357 IonicContact NH1-OE2 2.74Å; R351-E357 PolarHBondContact NH1-OE2 2.86Å; R351-E357 IonicContact NH2-OE1 3.26Å; R351-E357 PolarHBondContact NH2-OE1 3.17Å; R351-E357 IonicContact NH2-OE2 3.73Å; R351-E357 PolarHBondContact NH2-OE2 3.43Å; L353-E357 WeakPolarHBondContact CA-OE2 3.47Å; L353-E357 HydrophobicContact CB-CB 4.15Å; S354-E357 PolarHBondContact N-OE2 2.84Å; S354-E357 PolarHBondContact O-N 3.41Å; S354-E357 VanDerWaalsContact OG-CG 3.3Å; S354-E357 WeakPolarHBondContact OG-CG 3.31Å; S354-E357 PolarHBondContact OG-N 3.27Å; S354-E357 VanDerWaalsContact OG-N 3.16Å; E357-F360 PolarHBondContact O-N 2.79Å; E357-Q361 VanDerWaalsContact O-CG 3.24Å; E357-Q361 WeakPolarHBondContact O-CG 3.42Å; E357-Q361 PolarHBondContact O-N 3.27Å; E357-Q361 VanDerWaalsContact O-N 3.08Å; E357-L511 HydrophobicContact CB-CD1 3.69Å; E357-L511 HydrophobicContact CG-CD1 3.77Å
358	I	98.4	Very high	94.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.4	-46	175.6	-63	170	0	0	0	109.9	I275 H276 L353 S354 P355 F360 Q361 I362	I275-I358 HydrophobicContact CB-CG2 4.1Å; I275-I358 HydrophobicContact CD1-CG2 4Å; I275-I358 HydrophobicContact CG2-CD1 4.1Å; I275-I358 HydrophobicContact CG2-CG2 4.1Å; H276-I358 HydrophobicContact CB-CD1 3.97Å; L353-I358 HydrophobicContact CB-CD1 4.22Å; L353-I358 HydrophobicContact CB-CG1 3.65Å; L353-I358 HydrophobicContact CD1-CG1 4.38Å; S354-I358 WeakPolarHBondContact O-CG1 3.32Å; S354-I358 PolarHBondContact O-N 3.14Å; P355-I358 PolarHBondContact O-N 3.36Å; I358-F360 VanDerWaalsContact C-N 3.31Å; I358-F360 PolarHBondContact O-N 2.99Å; I358-Q361 PolarHBondContact O-N 2.84Å; I358-Q361 VanDerWaalsContact O-N 3.15Å; I358-I362 HydrophobicContact CG2-CG1 4.23Å; I358-I362 WeakPolarHBondContact O-CG1 3.33Å; I358-I362 PolarHBondContact O-N 3.01Å
359	E	98.6	Very high	95.2	Very high	3 Å²	3	40.7 Å²	40.7	1%	0.014	22%	0.219	C	C	.	.	H	α-helix	trans	-52.9	-49.5	173.7	169	178.4	-166.2	0	0	111.3	A268 A269 P355 R356 Q361 I362 Q363 H502 C503	A268-E359 HydrophobicContact CB-CG 3.98Å; A269-E359 VanDerWaalsContact CA-CD 3.46Å; A269-E359 HydrophobicContact CB-CG 4.39Å; A269-E359 VanDerWaalsContact CB-OE1 3.3Å; A269-E359 WeakPolarHBondContact CB-OE1 3.31Å; P355-E359 WeakPolarHBondContact O-CB 3.47Å; P355-E359 PolarHBondContact O-N 3.37Å; R356-E359 VanDerWaalsContact CD-OE2 3.24Å; R356-E359 WeakPolarHBondContact CD-OE2 3.38Å; R356-E359 IonicContact CZ-OE2 3.6Å; R356-E359 IonicContact NE-OE2 2.89Å; R356-E359 IonicContact NH1-OE1 2.73Å; R356-E359 PolarHBondContact NH1-OE1 2.95Å; R356-E359 IonicContact NH1-OE2 3.9Å; R356-E359 PolarHBondContact NH1-OE2 3.31Å; E359-Q361 VanDerWaalsContact C-N 3.29Å; E359-Q361 PolarHBondContact O-N 3.45Å; E359-I362 PolarHBondContact O-N 2.79Å; E359-I362 VanDerWaalsContact O-N 3.13Å; E359-Q363 WeakPolarHBondContact O-CB 3.33Å; E359-Q363 PolarHBondContact O-N 3.33Å; E359-H502 IonicContact OE1-CE1 3.97Å; E359-H502 IonicContact OE1-CG 3.49Å; E359-H502 IonicContact OE1-ND1 2.94Å; E359-H502 PolarHBondContact OE1-ND1 3.35Å; E359-C503 HydrophobicContact CB-CB 4.45Å; E359-C503 WeakPolarHBondContact OE2-CB 3.34Å; E359-C503 PolarHBondContact OE2-N 2.87Å
360	F	98.1	Very high	96	Very high	66 Å²	66	41.4 Å²	41.4	29%	0.289	22%	0.217	S	C	.	.	H	α-helix	trans	-58.1	-40.9	178.5	177.3	-109.3	0	0	0	112.6	R356 E357 I358 Q363 R364 V507	R356-F360 WeakPolarHBondContact O-CB 3.47Å; R356-F360 PolarHBondContact O-N 3Å; E357-F360 PolarHBondContact O-N 2.79Å; I358-F360 VanDerWaalsContact C-N 3.31Å; I358-F360 PolarHBondContact O-N 2.99Å; F360-Q363 PolarHBondContact O-N 2.99Å; F360-R364 VanDerWaalsContact CE1-NE 3.3Å; F360-R364 VanDerWaalsContact CE1-NH2 3.31Å; F360-R364 PolarHBondContact O-N 3.17Å; F360-V507 HydrophobicContact CB-CG1 4.01Å; F360-V507 HydrophobicContact CB-CG2 3.93Å; F360-V507 HydrophobicContact CD1-CG1 3.5Å; F360-V507 HydrophobicContact CD2-CG1 4.24Å; F360-V507 HydrophobicContact CE1-CG1 3.89Å; F360-V507 HydrophobicContact CG-CG1 3.67Å; F360-V507 HydrophobicContact CG-CG2 4.24Å; F360-V507 HydrophobicContact CZ-CG1 4.44Å
361	Q	98.3	Very high	96.8	Very high	7 Å²	7	44.2 Å²	44.2	3%	0.033	23%	0.229	C	C	.	.	H	α-helix	trans	-71.3	-33.9	177	-66.9	-76.9	101.7	0	0	112.8	L344 E357 I358 E359 R364 I365 L511 P512 P514	L344-Q361 HydrophobicContact CD1-CB 3.59Å; L344-Q361 HydrophobicContact CD1-CG 4.13Å; L344-Q361 HydrophobicContact CD2-CB 4.42Å; E357-Q361 VanDerWaalsContact O-CG 3.24Å; E357-Q361 WeakPolarHBondContact O-CG 3.42Å; E357-Q361 PolarHBondContact O-N 3.27Å; E357-Q361 VanDerWaalsContact O-N 3.08Å; I358-Q361 PolarHBondContact O-N 2.84Å; I358-Q361 VanDerWaalsContact O-N 3.15Å; E359-Q361 VanDerWaalsContact C-N 3.29Å; E359-Q361 PolarHBondContact O-N 3.45Å; Q361-R364 PolarHBondContact O-N 3.07Å; Q361-I365 PolarHBondContact O-N 3.05Å; Q361-L511 HydrophobicContact CG-CD1 4.4Å; Q361-P512 PolarHBondContact NE2-O 3.18Å; Q361-P514 HydrophobicContact CB-CG 4.23Å; Q361-P514 WeakPolarHBondContact O-CG 3.28Å
362	I	98.7	Very high	97.2	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-67.3	-42.5	172.6	-67.7	-68.2	0	0	0	110.2	A268 A271 I275 V335 L344 I358 E359 R364 I365 L366 L419	A268-I362 HydrophobicContact CB-CB 4.31Å; A268-I362 HydrophobicContact CB-CG2 3.89Å; A271-I362 HydrophobicContact CB-CD1 4.47Å; A271-I362 HydrophobicContact CB-CG1 4.07Å; A271-I362 HydrophobicContact CB-CG2 4.17Å; I275-I362 HydrophobicContact CD1-CD1 4.05Å; I275-I362 HydrophobicContact CD1-CG1 4.35Å; V335-I362 HydrophobicContact CG1-CD1 4.5Å; V335-I362 HydrophobicContact CG2-CD1 4.47Å; L344-I362 HydrophobicContact CD2-CD1 3.65Å; L344-I362 HydrophobicContact CD2-CG1 4.17Å; I358-I362 HydrophobicContact CG2-CG1 4.23Å; I358-I362 WeakPolarHBondContact O-CG1 3.33Å; I358-I362 PolarHBondContact O-N 3.01Å; E359-I362 PolarHBondContact O-N 2.79Å; E359-I362 VanDerWaalsContact O-N 3.13Å; I362-R364 VanDerWaalsContact C-N 3.29Å; I362-R364 PolarHBondContact O-N 3.46Å; I362-I365 HydrophobicContact CD1-CD1 4.49Å; I362-I365 WeakPolarHBondContact O-CA 3.28Å; I362-I365 WeakPolarHBondContact O-CB 3.31Å; I362-I365 PolarHBondContact O-N 2.91Å; I362-L366 HydrophobicContact CG2-CD1 4.23Å; I362-L366 HydrophobicContact CG2-CG 4.42Å; I362-L366 PolarHBondContact O-N 3.09Å; I362-L419 HydrophobicContact CD1-CD1 4.37Å; I362-L419 HydrophobicContact CG2-CD1 3.86Å; I362-L419 HydrophobicContact CG2-CD2 4.01Å
363	Q	98.3	Very high	97.4	Very high	65 Å²	65	42.5 Å²	42.5	30%	0.304	24%	0.236	S	C	.	.	H	α-helix	trans	-59.9	-40.9	176.4	-168.4	58.3	51.9	0	0	111.3	A268 E359 F360 I365 L366 D367	A268-Q363 HydrophobicContact CB-CB 4.17Å; E359-Q363 WeakPolarHBondContact O-CB 3.33Å; E359-Q363 PolarHBondContact O-N 3.33Å; F360-Q363 PolarHBondContact O-N 2.99Å; Q363-I365 PolarHBondContact O-N 2.91Å; Q363-L366 PolarHBondContact O-N 3.38Å; Q363-L366 VanDerWaalsContact O-N 3.15Å; Q363-D367 WeakPolarHBondContact CG-OD2 3.38Å; Q363-D367 PolarHBondContact NE2-OD1 3.36Å; Q363-D367 PolarHBondContact NE2-OD2 3.47Å; Q363-D367 WeakPolarHBondContact O-CB 3.44Å; Q363-D367 VanDerWaalsContact O-CG 3.31Å; Q363-D367 PolarHBondContact O-N 2.77Å
364	R	97.8	Very high	97.4	Very high	84 Å²	84	50 Å²	50	32%	0.317	27%	0.268	S	S	.	.	H	α-helix	trans	-57.7	-32.8	171	-75.8	178	170	177.3	-7.3	113.7	F360 Q361 I362 D368 L511	F360-R364 VanDerWaalsContact CE1-NE 3.3Å; F360-R364 VanDerWaalsContact CE1-NH2 3.31Å; F360-R364 PolarHBondContact O-N 3.17Å; Q361-R364 PolarHBondContact O-N 3.07Å; I362-R364 VanDerWaalsContact C-N 3.29Å; I362-R364 PolarHBondContact O-N 3.46Å; R364-D368 WeakPolarHBondContact O-CB 3.12Å; R364-D368 PolarHBondContact O-N 2.85Å; R364-L511 PolarHBondContact NH1-O 3.43Å
365	I	98.6	Very high	97.3	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-74.3	-41.9	175.8	-65.7	171	0	0	0	110.9	V335 H337 F342 Q361 I362 Q363 D367 D368 L419 P514	V335-I365 HydrophobicContact CB-CD1 4.01Å; V335-I365 HydrophobicContact CG1-CD1 3.93Å; V335-I365 HydrophobicContact CG1-CG2 4.33Å; V335-I365 HydrophobicContact CG2-CD1 4.11Å; H337-I365 HydrophobicContact CB-CG2 3.9Å; F342-I365 HydrophobicContact CB-CD1 4.05Å; F342-I365 HydrophobicContact CB-CG1 4.48Å; F342-I365 HydrophobicContact CD1-CG1 4.28Å; F342-I365 HydrophobicContact CD2-CG2 3.65Å; F342-I365 HydrophobicContact CE2-CG2 3.62Å; F342-I365 HydrophobicContact CG-CD1 4.25Å; F342-I365 HydrophobicContact CG-CG1 4.19Å; F342-I365 HydrophobicContact CG-CG2 4.17Å; F342-I365 HydrophobicContact CZ-CG2 4.11Å; Q361-I365 PolarHBondContact O-N 3.05Å; I362-I365 HydrophobicContact CD1-CD1 4.49Å; I362-I365 WeakPolarHBondContact O-CA 3.28Å; I362-I365 WeakPolarHBondContact O-CB 3.31Å; I362-I365 PolarHBondContact O-N 2.91Å; Q363-I365 PolarHBondContact O-N 2.91Å; I365-D367 VanDerWaalsContact C-N 3.33Å; I365-D368 WeakPolarHBondContact O-CB 2.99Å; I365-D368 PolarHBondContact O-N 3.2Å; I365-L419 HydrophobicContact CB-CD1 4.42Å; I365-L419 HydrophobicContact CG2-CD1 3.99Å; I365-P514 HydrophobicContact CD1-CB 3.86Å; I365-P514 HydrophobicContact CD1-CG 4Å; I365-P514 HydrophobicContact CG1-CB 3.8Å; I365-P514 HydrophobicContact CG1-CG 3.75Å
366	L	98.4	Very high	97.3	Very high	27 Å²	27	49 Å²	49	14%	0.141	26%	0.264	C	S	.	.	H	α-helix	trans	-62.4	-42.4	177.2	-66.4	173.5	0	0	0	111.3	A268 I362 Q363 D368 L419	A268-L366 HydrophobicContact CB-CD1 4.04Å; I362-L366 HydrophobicContact CG2-CD1 4.23Å; I362-L366 HydrophobicContact CG2-CG 4.42Å; I362-L366 PolarHBondContact O-N 3.09Å; Q363-L366 PolarHBondContact O-N 3.38Å; Q363-L366 VanDerWaalsContact O-N 3.15Å; L366-D368 VanDerWaalsContact C-N 3.34Å; L366-L419 HydrophobicContact CD2-CB 4.04Å; L366-L419 HydrophobicContact CD2-CD1 3.88Å; L366-L419 HydrophobicContact CD2-CG 4.49Å; L366-L419 HydrophobicContact CG-CD1 4.25Å
367	D	97.5	Very high	97.3	Very high	107 Å²	107	47.6 Å²	47.6	57%	0.572	27%	0.267	S	S	*	.	S	Bend	trans	-84.1	-6.2	-177.7	-62	-24.9	0	0	0	113.7	Q363 I365 P369	Q363-D367 WeakPolarHBondContact CG-OD2 3.38Å; Q363-D367 PolarHBondContact NE2-OD1 3.36Å; Q363-D367 PolarHBondContact NE2-OD2 3.47Å; Q363-D367 WeakPolarHBondContact O-CB 3.44Å; Q363-D367 VanDerWaalsContact O-CG 3.31Å; Q363-D367 PolarHBondContact O-N 2.77Å; I365-D367 VanDerWaalsContact C-N 3.33Å; D367-P369 VanDerWaalsContact O-CD 3.3Å; D367-P369 WeakPolarHBondContact O-CD 3.21Å
368	D	96.6	Very high	97.3	Very high	40 Å²	40	52.1 Å²	52.1	21%	0.214	29%	0.287	C	S	.	.			trans	-61.6	120.6	179	-172.4	-40.7	0	0	0	109.3	R340 F342 R364 I365 L366 V370	R340-D368 PolarHBondContact NH1-O 2.8Å; R340-D368 IonicContact NH1-OD1 3.29Å; R340-D368 PolarHBondContact NH1-OD1 2.76Å; R340-D368 PolarHBondContact NH2-O 3.22Å; F342-D368 WeakPolarHBondContact CE1-OD2 3.47Å; F342-D368 HydrophobicContact CZ-CB 4.41Å; R364-D368 WeakPolarHBondContact O-CB 3.12Å; R364-D368 PolarHBondContact O-N 2.85Å; I365-D368 WeakPolarHBondContact O-CB 2.99Å; I365-D368 PolarHBondContact O-N 3.2Å; L366-D368 VanDerWaalsContact C-N 3.34Å; D368-V370 WeakPolarHBondContact OD1-CB 3.33Å; D368-V370 VanDerWaalsContact OD1-CG2 3.24Å; D368-V370 WeakPolarHBondContact OD1-CG2 3.42Å; D368-V370 PolarHBondContact OD1-N 3.13Å
369	P	95.2	Very high	97.3	Very high	122 Å²	122	52.1 Å²	52.1	79%	0.792	29%	0.287	S	S	*	.			trans	-87.3	-6.9	-177.4	35.2	-35.8	0	0	0	113.5	D367	D367-P369 VanDerWaalsContact O-CD 3.3Å; D367-P369 WeakPolarHBondContact O-CD 3.21Å
370	V	95.1	Very high	97.3	Very high	70 Å²	70	52 Å²	52	42%	0.424	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-69.4	123.9	-171.8	-178.2	0	0	0	0	109.8	R340 D368 K516	R340-V370 WeakPolarHBondContact CD-O 3.04Å; R340-V370 PolarHBondContact NH1-O 3.5Å; D368-V370 WeakPolarHBondContact OD1-CB 3.33Å; D368-V370 VanDerWaalsContact OD1-CG2 3.24Å; D368-V370 WeakPolarHBondContact OD1-CG2 3.42Å; D368-V370 PolarHBondContact OD1-N 3.13Å; V370-K516 HydrophobicContact CG1-CD 4.43Å
371	P	95.6	Very high	97.3	Very high	95 Å²	95	48.9 Å²	48.9	62%	0.617	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-67.1	158.8	-179.3	28.2	-35.4	0	0	0	112.5	K516	P371-K516 PolarHBondContact O-NZ 3.39Å
372	P	97	Very high	97.3	Very high	51 Å²	51	48.6 Å²	48.6	33%	0.331	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-61.5	146.8	171.4	27.2	-34.4	0	0	0	111.4	G339 R340 E376 A377	G339-P372 WeakPolarHBondContact O-CB 3.4Å; R340-P372 HydrophobicContact CG-CB 3.87Å; P372-E376 WeakPolarHBondContact CA-OE2 3.35Å; P372-E376 HydrophobicContact CB-CB 4.14Å; P372-A377 HydrophobicContact CB-CB 4.17Å; P372-A377 HydrophobicContact CG-CB 4.02Å
373	A	96.3	Very high	97.3	Very high	36 Å²	36	48.6 Å²	48.6	30%	0.298	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-63.2	160.2	170	0	0	0	0	0	110.6	G375 E376	A373-G375 PolarHBondContact O-N 3.22Å; A373-E376 HydrophobicContact CB-CB 4.09Å; A373-E376 PolarHBondContact N-OE2 2.84Å; A373-E376 WeakPolarHBondContact O-CB 3.37Å; A373-E376 PolarHBondContact O-N 3.04Å
374	K	96.2	Very high	97.3	Very high	161 Å²	161	45.5 Å²	45.5	70%	0.7	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	125	179.4	-166	-176.9	179.3	-177.7	0	109.9	E376	K374-E376 VanDerWaalsContact C-N 3.26Å; K374-E376 PolarHBondContact O-N 3.41Å
375	G	95.3	Very high	97.2	Very high	22 Å²	22	41.5 Å²	41.5	23%	0.227	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	-15	-175.8	0	0	0	0	0	115.8	A373 A377	A373-G375 PolarHBondContact O-N 3.22Å; G375-A377 PolarHBondContact O-N 3.02Å
376	E	97.9	Very high	97.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-66	-38.6	-175.3	-172	-172.6	-175.6	0	0	111.7	G339 R340 Y341 P372 A373 K374 K378 L379 W519 I521	G339-E376 CarbonylContact O-C 3.52Å; G339-E376 VanDerWaalsContact O-CG 3.29Å; G339-E376 WeakPolarHBondContact O-CG 3.5Å; R340-E376 WeakPolarHBondContact CA-OE1 3.36Å; Y341-E376 HydrophobicContact CD2-CG 3.89Å; Y341-E376 HydrophobicContact CE2-CG 4.04Å; Y341-E376 PolarHBondContact N-OE1 3.01Å; P372-E376 WeakPolarHBondContact CA-OE2 3.35Å; P372-E376 HydrophobicContact CB-CB 4.14Å; A373-E376 HydrophobicContact CB-CB 4.09Å; A373-E376 PolarHBondContact N-OE2 2.84Å; A373-E376 WeakPolarHBondContact O-CB 3.37Å; A373-E376 PolarHBondContact O-N 3.04Å; K374-E376 VanDerWaalsContact C-N 3.26Å; K374-E376 PolarHBondContact O-N 3.41Å; E376-K378 PolarHBondContact O-N 2.89Å; E376-L379 WeakPolarHBondContact O-CB 3.06Å; E376-L379 PolarHBondContact O-N 2.75Å; E376-W519 VanDerWaalsContact CD-CD1 3.42Å; E376-W519 VanDerWaalsContact CG-CD1 3.46Å; E376-W519 HydrophobicContact CG-CG 4.28Å; E376-W519 PolarHBondContact OE1-NE1 3.17Å; E376-I521 HydrophobicContact CB-CD1 4.48Å
377	A	97.5	Very high	97.1	Very high	37 Å²	37	45 Å²	45	31%	0.306	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-55.2	-33.9	-169.1	0	0	0	0	0	114.5	Y336 G339 P372 G375 Y448	Y336-A377 PolarHBondContact OH-O 3.13Å; G339-A377 WeakPolarHBondContact O-CA 3.44Å; P372-A377 HydrophobicContact CB-CB 4.17Å; P372-A377 HydrophobicContact CG-CB 4.02Å; G375-A377 PolarHBondContact O-N 3.02Å; A377-Y448 WeakPolarHBondContact O-CD2 3.19Å
378	K	98	Very high	97.2	Very high	100 Å²	100	42.9 Å²	42.9	44%	0.435	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-112.7	9.5	-176.6	-67.4	172.8	169.2	-171.1	0	112.7	E376 G380 A381 Y448 I529 L533	E376-K378 PolarHBondContact O-N 2.89Å; K378-G380 PolarHBondContact O-N 3.08Å; K378-G380 VanDerWaalsContact O-N 3.15Å; K378-A381 WeakPolarHBondContact O-CB 3.18Å; K378-A381 PolarHBondContact O-N 2.92Å; K378-Y448 HydrophobicContact CB-CG 4.43Å; K378-Y448 HydrophobicContact CG-CD1 4.1Å; K378-Y448 HydrophobicContact CG-CE1 4.41Å; K378-Y448 HydrophobicContact CG-CG 4.23Å; K378-I529 HydrophobicContact CB-CG2 3.76Å; K378-I529 WeakPolarHBondContact O-CG2 3.42Å; K378-L533 HydrophobicContact CB-CD2 4.5Å; K378-L533 HydrophobicContact CD-CD2 3.6Å; K378-L533 HydrophobicContact CG-CD2 4.18Å
379	L	98.4	Very high	97.2	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-38.5	-172.9	175.2	61.9	0	0	0	113.1	Y341 E376 A381 L382 F398 W519 I521 I529	Y341-L379 HydrophobicContact CE2-CB 4.12Å; Y341-L379 HydrophobicContact CE2-CD2 4.16Å; E376-L379 WeakPolarHBondContact O-CB 3.06Å; E376-L379 PolarHBondContact O-N 2.75Å; L379-A381 PolarHBondContact O-N 3.43Å; L379-A381 VanDerWaalsContact O-N 3.08Å; L379-L382 HydrophobicContact CD1-CD1 3.81Å; L379-L382 PolarHBondContact O-N 3.21Å; L379-F398 HydrophobicContact CD1-CE1 3.85Å; L379-F398 HydrophobicContact CD1-CZ 3.47Å; L379-F398 VanDerWaalsContact CD1-CZ 3.47Å; L379-F398 HydrophobicContact CD2-CE1 4.43Å; L379-W519 HydrophobicContact CD2-CD2 3.74Å; L379-W519 HydrophobicContact CD2-CE3 3.81Å; L379-W519 HydrophobicContact CD2-CG 4.48Å; L379-W519 HydrophobicContact CD2-CH2 3.69Å; L379-W519 HydrophobicContact CD2-CZ2 3.62Å; L379-W519 HydrophobicContact CD2-CZ3 3.8Å; L379-I521 HydrophobicContact CD1-CD1 4.21Å; L379-I521 HydrophobicContact CD2-CD1 4.38Å; L379-I529 HydrophobicContact CD1-CD1 3.92Å; L379-I529 HydrophobicContact CD1-CG1 4.48Å
380	G	98	Very high	97.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.4	178.7	0	0	0	0	0	114.5	Y341 K378 L382 T383 Y448	Y341-G380 PolarHBondContact OH-N 3Å; K378-G380 PolarHBondContact O-N 3.08Å; K378-G380 VanDerWaalsContact O-N 3.15Å; G380-L382 PolarHBondContact O-N 2.87Å; G380-L382 VanDerWaalsContact O-N 3.15Å; G380-T383 PolarHBondContact O-N 3.41Å; G380-T383 PolarHBondContact O-OG1 3Å; G380-Y448 WeakPolarHBondContact CA-O 2.96Å
381	A	98.6	Very high	97.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.2	-27	176.2	0	0	0	0	0	113.3	K378 L379 T383 A384 G385 C447 I529 S532 L533	K378-A381 WeakPolarHBondContact O-CB 3.18Å; K378-A381 PolarHBondContact O-N 2.92Å; L379-A381 PolarHBondContact O-N 3.43Å; L379-A381 VanDerWaalsContact O-N 3.08Å; A381-T383 PolarHBondContact O-N 3.26Å; A381-A384 PolarHBondContact O-N 3.4Å; A381-A384 VanDerWaalsContact O-N 3.1Å; A381-G385 PolarHBondContact O-N 2.92Å; A381-C447 VanDerWaalsContact CA-O 3.29Å; A381-C447 WeakPolarHBondContact CA-O 3.48Å; A381-I529 HydrophobicContact CB-CG2 4.42Å; A381-S532 WeakPolarHBondContact O-CB 3.46Å; A381-L533 HydrophobicContact CB-CB 3.75Å; A381-L533 HydrophobicContact CB-CD1 4.18Å
382	L	98.7	Very high	97.7	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-59.7	-35.6	174.2	-66.7	173.9	0	0	0	111.9	L379 G380 A384 W390 A393 F398 Q528 I529	L379-L382 HydrophobicContact CD1-CD1 3.81Å; L379-L382 PolarHBondContact O-N 3.21Å; G380-L382 PolarHBondContact O-N 2.87Å; G380-L382 VanDerWaalsContact O-N 3.15Å; L382-A384 VanDerWaalsContact C-N 3.32Å; L382-W390 HydrophobicContact CB-CD2 3.86Å; L382-W390 HydrophobicContact CB-CE3 3.49Å; L382-W390 VanDerWaalsContact CB-CE3 3.49Å; L382-W390 HydrophobicContact CB-CG 4.48Å; L382-W390 HydrophobicContact CB-CH2 4.43Å; L382-W390 HydrophobicContact CB-CZ3 3.82Å; L382-W390 HydrophobicContact CD1-CE3 3.91Å; L382-W390 HydrophobicContact CD1-CH2 4.38Å; L382-W390 HydrophobicContact CD1-CZ3 3.56Å; L382-W390 HydrophobicContact CD2-CE3 4.46Å; L382-W390 HydrophobicContact CG-CE3 4.15Å; L382-W390 HydrophobicContact CG-CZ3 4.26Å; L382-W390 VanDerWaalsContact O-CB 3.29Å; L382-W390 WeakPolarHBondContact O-CB 3.44Å; L382-W390 VanDerWaalsContact O-CG 3.25Å; L382-A393 HydrophobicContact CD2-CB 4.19Å; L382-F398 HydrophobicContact CD1-CE2 3.93Å; L382-F398 HydrophobicContact CD1-CZ 4.1Å; L382-Q528 HydrophobicContact CD2-CB 4.34Å; L382-I529 HydrophobicContact CD1-CD1 4.48Å; L382-I529 HydrophobicContact CD1-CG1 3.79Å; L382-I529 HydrophobicContact CD2-CG1 3.97Å; L382-I529 HydrophobicContact CG-CG1 3.76Å
383	T	98.6	Very high	97.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-76.8	-21.1	177.7	72.3	0	0	0	0	113	G380 A381 R387 W390 W451 F452	G380-T383 PolarHBondContact O-N 3.41Å; G380-T383 PolarHBondContact O-OG1 3Å; A381-T383 PolarHBondContact O-N 3.26Å; T383-R387 PolarHBondContact O-NH1 3.25Å; T383-W390 HydrophobicContact CG2-CZ2 4.18Å; T383-W451 HydrophobicContact CG2-CD2 3.87Å; T383-W451 HydrophobicContact CG2-CE3 4.2Å; T383-W451 HydrophobicContact CG2-CG 4.4Å; T383-W451 HydrophobicContact CG2-CH2 4.13Å; T383-W451 HydrophobicContact CG2-CZ2 3.77Å; T383-W451 HydrophobicContact CG2-CZ3 4.34Å; T383-F452 PolarHBondContact OG1-N 2.91Å
384	A	98.2	Very high	97.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-87.2	-30.3	-178	0	0	0	0	0	113.4	P246 M248 A381 L382 C447 F452 A536	P246-A384 WeakPolarHBondContact CB-O 3.42Å; M248-A384 HydrophobicContact SD-CB 3.95Å; A381-A384 PolarHBondContact O-N 3.4Å; A381-A384 VanDerWaalsContact O-N 3.1Å; L382-A384 VanDerWaalsContact C-N 3.32Å; A384-C447 WeakPolarHBondContact CB-O 3.27Å; A384-F452 HydrophobicContact CB-CD2 3.6Å; A384-F452 HydrophobicContact CB-CE2 3.5Å; A384-A536 HydrophobicContact CB-CB 3.66Å
385	G	96.6	Very high	97.9	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-80.4	-157.1	-178.7	0	0	0	0	0	114.6	P246 A381	P246-G385 WeakPolarHBondContact CA-O 3.47Å; A381-G385 PolarHBondContact O-N 2.92Å
386	E	96.4	Very high	98.1	Very high	103 Å²	103	36.1 Å²	36.1	48%	0.481	17%	0.172	S	C	.	.			trans	-66.9	142.1	-178	-63.2	-169	110.2	0	0	113.2	I388 A389 W390 V535	E386-I388 PolarHBondContact O-N 3.19Å; E386-A389 HydrophobicContact CB-CB 4.23Å; E386-A389 PolarHBondContact O-N 3Å; E386-W390 PolarHBondContact O-N 3.22Å; E386-V535 HydrophobicContact CG-CG1 4.19Å
387	R	98.1	Very high	98.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-67.6	-38.1	-173	-53.2	-49.7	-63	173.2	-2.8	113	R244 S245 D322 T383 W390 A391 D453	R244-R387 WeakPolarHBondContact O-CG 3.37Å; R244-R387 PolarHBondContact O-N 2.9Å; S245-R387 WeakPolarHBondContact O-CG 3.17Å; D322-R387 IonicContact OD2-CZ 3.15Å; D322-R387 IonicContact OD2-NE 2.63Å; D322-R387 PolarHBondContact OD2-NE 3.01Å; D322-R387 IonicContact OD2-NH2 2.78Å; D322-R387 PolarHBondContact OD2-NH2 3.34Å; D322-R387 VanDerWaalsContact OD2-NH2 3.08Å; T383-R387 PolarHBondContact O-NH1 3.25Å; R387-W390 PolarHBondContact O-N 3.32Å; R387-A391 WeakPolarHBondContact O-CB 3.48Å; R387-A391 PolarHBondContact O-N 3.24Å; R387-D453 IonicContact CZ-OD1 3.32Å; R387-D453 IonicContact NH1-OD1 3.53Å; R387-D453 PolarHBondContact NH1-OD1 2.83Å; R387-D453 IonicContact NH2-OD1 2.78Å; R387-D453 PolarHBondContact NH2-OD1 3.33Å; R387-D453 IonicContact NH2-OD2 3.23Å
388	I	98.3	Very high	98.1	Very high	62 Å²	62	37 Å²	37	32%	0.318	17%	0.168	S	C	.	.	H	α-helix	trans	-69.4	-44.9	179.4	-59.8	175.8	0	0	0	110.7	R244 E386 W390 A391 K392	R244-I388 HydrophobicContact CB-CD1 4.44Å; R244-I388 HydrophobicContact CG-CD1 4.25Å; R244-I388 HydrophobicContact CG-CG1 4.47Å; E386-I388 PolarHBondContact O-N 3.19Å; I388-W390 VanDerWaalsContact C-N 3.28Å; I388-W390 PolarHBondContact O-N 3.18Å; I388-A391 PolarHBondContact O-N 2.85Å; I388-K392 HydrophobicContact CG2-CD 4.16Å; I388-K392 WeakPolarHBondContact O-CG 3.35Å; I388-K392 PolarHBondContact O-N 2.7Å
389	A	98	Very high	98.1	Very high	26 Å²	26	35.5 Å²	35.5	22%	0.215	17%	0.169	C	C	.	.	H	α-helix	trans	-60	-43.1	176.6	0	0	0	0	0	110.7	E386 K392 A393	E386-A389 HydrophobicContact CB-CB 4.23Å; E386-A389 PolarHBondContact O-N 3Å; A389-K392 PolarHBondContact O-N 3.01Å; A389-A393 WeakPolarHBondContact O-CB 3.15Å; A389-A393 PolarHBondContact O-N 3.13Å
390	W	98.4	Very high	97.9	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-62.4	-47.6	174.5	-176.3	-158.2	0	0	0	112.4	P317 L382 T383 E386 R387 I388 K392 A393 R394 F398 L407 W451 D453	P317-W390 HydrophobicContact CB-CB 4.29Å; P317-W390 HydrophobicContact CB-CG 3.98Å; P317-W390 VanDerWaalsContact CG-CD1 3.45Å; P317-W390 HydrophobicContact CG-CD2 4.05Å; P317-W390 HydrophobicContact CG-CG 3.78Å; L382-W390 HydrophobicContact CB-CD2 3.86Å; L382-W390 HydrophobicContact CB-CE3 3.49Å; L382-W390 VanDerWaalsContact CB-CE3 3.49Å; L382-W390 HydrophobicContact CB-CG 4.48Å; L382-W390 HydrophobicContact CB-CH2 4.43Å; L382-W390 HydrophobicContact CB-CZ3 3.82Å; L382-W390 HydrophobicContact CD1-CE3 3.91Å; L382-W390 HydrophobicContact CD1-CH2 4.38Å; L382-W390 HydrophobicContact CD1-CZ3 3.56Å; L382-W390 HydrophobicContact CD2-CE3 4.46Å; L382-W390 HydrophobicContact CG-CE3 4.15Å; L382-W390 HydrophobicContact CG-CZ3 4.26Å; L382-W390 VanDerWaalsContact O-CB 3.29Å; L382-W390 WeakPolarHBondContact O-CB 3.44Å; L382-W390 VanDerWaalsContact O-CG 3.25Å; T383-W390 HydrophobicContact CG2-CZ2 4.18Å; E386-W390 PolarHBondContact O-N 3.22Å; R387-W390 PolarHBondContact O-N 3.32Å; I388-W390 VanDerWaalsContact C-N 3.28Å; I388-W390 PolarHBondContact O-N 3.18Å; W390-K392 VanDerWaalsContact C-N 3.3Å; W390-K392 PolarHBondContact O-N 3.24Å; W390-A393 HydrophobicContact CE3-CB 4.18Å; W390-A393 PolarHBondContact O-N 3.45Å; W390-R394 HydrophobicContact CD2-CB 4.41Å; W390-R394 HydrophobicContact CE3-CB 3.96Å; W390-R394 HydrophobicContact CH2-CB 4Å; W390-R394 HydrophobicContact CH2-CG 4.17Å; W390-R394 HydrophobicContact CZ2-CB 4.43Å; W390-R394 HydrophobicContact CZ2-CG 4.47Å; W390-R394 HydrophobicContact CZ3-CB 3.74Å; W390-R394 HydrophobicContact CZ3-CG 4.4Å; W390-R394 VanDerWaalsContact O-CB 3.31Å; W390-R394 WeakPolarHBondContact O-CB 3.5Å; W390-R394 PolarHBondContact O-N 3.03Å; W390-F398 HydrophobicContact CH2-CD2 4.42Å; W390-F398 HydrophobicContact CZ3-CD2 4.09Å; W390-F398 HydrophobicContact CZ3-CE2 4.09Å; W390-L407 HydrophobicContact CH2-CD1 4.47Å; W390-L407 HydrophobicContact CH2-CD2 4.43Å; W390-W451 HydrophobicContact CZ2-CZ2 4.25Å; W390-D453 PolarHBondContact NE1-OD2 3.48Å
391	A	98.7	Very high	97.8	Very high	8 Å²	8	41.9 Å²	41.9	7%	0.066	22%	0.222	C	C	.	.	H	α-helix	trans	-56.1	-44.3	178.2	0	0	0	0	0	112.4	P317 G318 E319 R387 I388 R395	P317-A391 HydrophobicContact CB-CB 4.02Å; G318-A391 VanDerWaalsContact C-CB 3.41Å; E319-A391 HydrophobicContact CG-CB 4.2Å; R387-A391 WeakPolarHBondContact O-CB 3.48Å; R387-A391 PolarHBondContact O-N 3.24Å; I388-A391 PolarHBondContact O-N 2.85Å; A391-R395 PolarHBondContact O-N 3.31Å; A391-R395 VanDerWaalsContact O-N 3.07Å
392	K	98.6	Very high	97.8	Very high	100 Å²	100	43 Å²	43	44%	0.435	23%	0.229	S	C	.	.	H	α-helix	trans	-65.9	-48.2	177.9	-70.4	176.8	179.9	179.1	0	111.7	E319 I388 A389 W390 R394 R395 E396	E319-K392 HydrophobicContact CG-CG 4.41Å; E319-K392 WeakPolarHBondContact OE2-CE 3.46Å; E319-K392 IonicContact OE2-NZ 3.96Å; I388-K392 HydrophobicContact CG2-CD 4.16Å; I388-K392 WeakPolarHBondContact O-CG 3.35Å; I388-K392 PolarHBondContact O-N 2.7Å; A389-K392 PolarHBondContact O-N 3.01Å; W390-K392 VanDerWaalsContact C-N 3.3Å; W390-K392 PolarHBondContact O-N 3.24Å; K392-R394 VanDerWaalsContact C-N 3.33Å; K392-R394 PolarHBondContact O-N 3.42Å; K392-R395 PolarHBondContact O-N 3.01Å; K392-E396 WeakPolarHBondContact O-CB 3.4Å; K392-E396 PolarHBondContact O-N 3.33Å
393	A	98.3	Very high	97.7	Very high	3 Å²	3	43.5 Å²	43.5	3%	0.025	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-41.5	177.7	0	0	0	0	0	111.8	L382 A389 W390 R395 E396 Y397 F398	L382-A393 HydrophobicContact CD2-CB 4.19Å; A389-A393 WeakPolarHBondContact O-CB 3.15Å; A389-A393 PolarHBondContact O-N 3.13Å; W390-A393 HydrophobicContact CE3-CB 4.18Å; W390-A393 PolarHBondContact O-N 3.45Å; A393-R395 PolarHBondContact O-N 3.47Å; A393-E396 PolarHBondContact O-N 3.38Å; A393-Y397 HydrophobicContact CB-CD2 4.27Å; A393-Y397 WeakPolarHBondContact O-CD2 3.4Å; A393-Y397 PolarHBondContact O-N 3.4Å; A393-F398 WeakPolarHBondContact O-CD2 3.49Å
394	R	98.2	Very high	97.7	Very high	55 Å²	55	47.4 Å²	47.4	21%	0.208	25%	0.249	C	C	.	.	H	α-helix	trans	-58.4	-47.1	175.4	-171.3	178.1	179.9	-74.6	-2	111.6	P317 W390 K392 F398 S399 L407 E411	P317-R394 HydrophobicContact CG-CB 4.4Å; W390-R394 HydrophobicContact CD2-CB 4.41Å; W390-R394 HydrophobicContact CE3-CB 3.96Å; W390-R394 HydrophobicContact CH2-CB 4Å; W390-R394 HydrophobicContact CH2-CG 4.17Å; W390-R394 HydrophobicContact CZ2-CB 4.43Å; W390-R394 HydrophobicContact CZ2-CG 4.47Å; W390-R394 HydrophobicContact CZ3-CB 3.74Å; W390-R394 HydrophobicContact CZ3-CG 4.4Å; W390-R394 VanDerWaalsContact O-CB 3.31Å; W390-R394 WeakPolarHBondContact O-CB 3.5Å; W390-R394 PolarHBondContact O-N 3.03Å; K392-R394 VanDerWaalsContact C-N 3.33Å; K392-R394 PolarHBondContact O-N 3.42Å; R394-F398 HydrophobicContact CG-CB 4.44Å; R394-F398 CarbonylContact O-C 3.54Å; R394-F398 WeakPolarHBondContact O-CA 3.49Å; R394-F398 WeakPolarHBondContact O-CB 3.47Å; R394-F398 PolarHBondContact O-N 3.12Å; R394-F398 VanDerWaalsContact O-N 3.09Å; R394-S399 PolarHBondContact O-N 2.93Å; R394-L407 HydrophobicContact CG-CD2 3.85Å; R394-E411 IonicContact CZ-OE1 2.84Å; R394-E411 VanDerWaalsContact CZ-OE1 3.31Å; R394-E411 IonicContact CZ-OE2 3.69Å; R394-E411 IonicContact NE-OE1 3.51Å; R394-E411 PolarHBondContact NE-OE1 3.33Å; R394-E411 VanDerWaalsContact NH2-CD 3.29Å; R394-E411 IonicContact NH2-OE1 2.72Å; R394-E411 PolarHBondContact NH2-OE1 3.18Å; R394-E411 IonicContact NH2-OE2 3.53Å; R394-E411 PolarHBondContact NH2-OE2 3.3Å
395	R	98.1	Very high	97.7	Very high	132 Å²	132	51.6 Å²	51.6	50%	0.498	27%	0.265	S	S	.	.	H	α-helix	trans	-63.7	-45	178.4	178.2	176.3	59.9	-135	-3.4	112.1	E319 A391 K392 A393 S399	E319-R395 IonicContact OE1-CZ 2.58Å; E319-R395 IonicContact OE1-NH1 3.14Å; E319-R395 PolarHBondContact OE1-NH1 3.17Å; E319-R395 IonicContact OE1-NH2 3.35Å; E319-R395 PolarHBondContact OE1-NH2 3.41Å; A391-R395 PolarHBondContact O-N 3.31Å; A391-R395 VanDerWaalsContact O-N 3.07Å; K392-R395 PolarHBondContact O-N 3.01Å; A393-R395 PolarHBondContact O-N 3.47Å; R395-S399 WeakPolarHBondContact O-CB 3.37Å; R395-S399 PolarHBondContact O-OG 2.8Å
396	E	98.3	Very high	97.8	Very high	129 Å²	129	52 Å²	52	60%	0.603	27%	0.267	S	S	*	.	H	α-helix	trans	-72.8	-49.5	-173.7	-168.8	62.6	-157.6	0	0	112	K392 A393	K392-E396 WeakPolarHBondContact O-CB 3.4Å; K392-E396 PolarHBondContact O-N 3.33Å; A393-E396 PolarHBondContact O-N 3.38Å
397	Y	98.3	Very high	97.9	Very high	53 Å²	53	47.1 Å²	47.1	21%	0.208	25%	0.245	C	C	.	.	H	α-helix	trans	-106.4	-13.3	-166.3	-53.3	-68.9	0	0	0	114.4	A393 N403 P522 E524 C525 Q528	A393-Y397 HydrophobicContact CB-CD2 4.27Å; A393-Y397 WeakPolarHBondContact O-CD2 3.4Å; A393-Y397 PolarHBondContact O-N 3.4Å; Y397-N403 VanDerWaalsContact O-CB 3.24Å; Y397-N403 WeakPolarHBondContact O-CB 3.42Å; Y397-N403 PolarHBondContact O-ND2 2.89Å; Y397-P522 HydrophobicContact CD1-CG 3.59Å; Y397-P522 HydrophobicContact CE1-CG 3.76Å; Y397-E524 HydrophobicContact CE1-CB 4.45Å; Y397-E524 VanDerWaalsContact OH-CB 3.3Å; Y397-E524 WeakPolarHBondContact OH-CB 3.44Å; Y397-C525 HydrophobicContact CD1-CB 3.8Å; Y397-C525 HydrophobicContact CD2-CB 3.66Å; Y397-C525 VanDerWaalsContact CD2-SG 3.51Å; Y397-C525 HydrophobicContact CE1-CB 3.98Å; Y397-C525 HydrophobicContact CE2-CB 3.85Å; Y397-C525 HydrophobicContact CG-CB 3.64Å; Y397-Q528 HydrophobicContact CE2-CG 4.43Å
398	F	98.2	Very high	97.9	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.018	26%	0.256	C	S	.	.	S	Bend	trans	-125.2	10.5	-173.3	-55.5	-94.5	0	0	0	113.9	L379 L382 W390 A393 R394 N403 K404 L407 W519	L379-F398 HydrophobicContact CD1-CE1 3.85Å; L379-F398 HydrophobicContact CD1-CZ 3.47Å; L379-F398 VanDerWaalsContact CD1-CZ 3.47Å; L379-F398 HydrophobicContact CD2-CE1 4.43Å; L382-F398 HydrophobicContact CD1-CE2 3.93Å; L382-F398 HydrophobicContact CD1-CZ 4.1Å; W390-F398 HydrophobicContact CH2-CD2 4.42Å; W390-F398 HydrophobicContact CZ3-CD2 4.09Å; W390-F398 HydrophobicContact CZ3-CE2 4.09Å; A393-F398 WeakPolarHBondContact O-CD2 3.49Å; R394-F398 HydrophobicContact CG-CB 4.44Å; R394-F398 CarbonylContact O-C 3.54Å; R394-F398 WeakPolarHBondContact O-CA 3.49Å; R394-F398 WeakPolarHBondContact O-CB 3.47Å; R394-F398 PolarHBondContact O-N 3.12Å; R394-F398 VanDerWaalsContact O-N 3.09Å; F398-N403 HydrophobicContact CD1-CB 3.75Å; F398-N403 HydrophobicContact CE1-CB 4.25Å; F398-N403 HydrophobicContact CG-CB 4.37Å; F398-K404 VanDerWaalsContact O-CA 3.3Å; F398-K404 WeakPolarHBondContact O-CA 3.38Å; F398-K404 VanDerWaalsContact O-CB 3.3Å; F398-K404 WeakPolarHBondContact O-CB 3.3Å; F398-L407 HydrophobicContact CB-CD2 3.49Å; F398-L407 VanDerWaalsContact CB-CD2 3.49Å; F398-L407 HydrophobicContact CD1-CB 4.36Å; F398-L407 HydrophobicContact CD1-CD2 4.32Å; F398-L407 HydrophobicContact CG-CD2 4.08Å; F398-W519 HydrophobicContact CD1-CE3 4.39Å; F398-W519 AromaticContact CD1-CZ3 3.83Å; F398-W519 HydrophobicContact CD1-CZ3 3.83Å; F398-W519 AromaticContact CE1-CE3 3.92Å; F398-W519 HydrophobicContact CE1-CE3 3.92Å; F398-W519 AromaticContact CE1-CZ3 3.64Å; F398-W519 HydrophobicContact CE1-CZ3 3.64Å
399	S	96.4	Very high	97.9	Very high	67 Å²	67	47 Å²	47	47%	0.469	25%	0.245	S	C	.	.	S	Bend	trans	-85.4	-12.6	-179.7	59.7	0	0	0	0	114.4	R394 R395 K404	R394-S399 PolarHBondContact O-N 2.93Å; R395-S399 WeakPolarHBondContact O-CB 3.37Å; R395-S399 PolarHBondContact O-OG 2.8Å; S399-K404 VanDerWaalsContact O-CD 3.3Å; S399-K404 WeakPolarHBondContact O-CD 3.26Å
400	S	95.3	Very high	97.9	Very high	83 Å²	83	45.7 Å²	45.7	58%	0.58	24%	0.235	S	C	*	.	S	Bend	trans	-147.6	178.3	179.9	74.1	0	0	0	0	113	K404	S400-K404 VanDerWaalsContact O-CB 3.28Å; S400-K404 WeakPolarHBondContact O-CB 3.43Å; S400-K404 PolarHBondContact O-N 3.35Å; S400-K404 VanDerWaalsContact O-N 3.15Å
401	G	96.4	Very high	97.9	Very high	52 Å²	52	45.9 Å²	45.9	54%	0.536	24%	0.236	S	C	.	.	H	α-helix	trans	66.1	-148.5	170.1	0	0	0	0	0	116.2
402	V	96.8	Very high	97.8	Very high	24 Å²	24	51.4 Å²	51.4	15%	0.145	26%	0.255	C	S	.	.	H	α-helix	trans	-67.7	-44.9	-179.9	174.5	0	0	0	0	110.9	K404 R405 S406 S518 E520	V402-K404 PolarHBondContact O-N 3.26Å; V402-R405 WeakPolarHBondContact O-CB 3.28Å; V402-R405 PolarHBondContact O-N 3.3Å; V402-R405 VanDerWaalsContact O-N 3.08Å; V402-S406 PolarHBondContact O-N 2.86Å; V402-S406 VanDerWaalsContact O-N 3.08Å; V402-S406 PolarHBondContact O-OG 2.83Å; V402-S518 VanDerWaalsContact CG1-O 3.26Å; V402-S518 WeakPolarHBondContact CG1-O 3.36Å; V402-E520 HydrophobicContact CB-CG 4.46Å
403	N	98.1	Very high	97.8	Very high	12 Å²	12	46.7 Å²	46.7	6%	0.064	23%	0.234	C	C	.	.	H	α-helix	trans	-58.2	-44.5	-179.7	-68.6	-13	0	0	0	112.7	Y397 F398 R405 S406 L407 W519 E520	Y397-N403 VanDerWaalsContact O-CB 3.24Å; Y397-N403 WeakPolarHBondContact O-CB 3.42Å; Y397-N403 PolarHBondContact O-ND2 2.89Å; F398-N403 HydrophobicContact CD1-CB 3.75Å; F398-N403 HydrophobicContact CE1-CB 4.25Å; F398-N403 HydrophobicContact CG-CB 4.37Å; N403-R405 VanDerWaalsContact C-N 3.33Å; N403-R405 PolarHBondContact O-N 3.42Å; N403-S406 PolarHBondContact O-N 3.46Å; N403-L407 WeakPolarHBondContact O-CB 3.08Å; N403-L407 PolarHBondContact O-N 3.33Å; N403-W519 HydrophobicContact CB-CE3 4.4Å; N403-W519 WeakPolarHBondContact OD1-CA 3.48Å; N403-E520 PolarHBondContact ND2-O 3.26Å; N403-E520 PolarHBondContact OD1-N 2.95Å; N403-E520 PolarHBondContact OD1-O 3.26Å
404	K	98.1	Very high	97.8	Very high	81 Å²	81	46.5 Å²	46.5	35%	0.352	23%	0.233	S	C	.	.	H	α-helix	trans	-58.4	-44.5	175	-172.6	-166	-169.7	-69.8	0	111.9	F398 S399 S400 V402 S406 L407 D408	F398-K404 VanDerWaalsContact O-CA 3.3Å; F398-K404 WeakPolarHBondContact O-CA 3.38Å; F398-K404 VanDerWaalsContact O-CB 3.3Å; F398-K404 WeakPolarHBondContact O-CB 3.3Å; S399-K404 VanDerWaalsContact O-CD 3.3Å; S399-K404 WeakPolarHBondContact O-CD 3.26Å; S400-K404 VanDerWaalsContact O-CB 3.28Å; S400-K404 WeakPolarHBondContact O-CB 3.43Å; S400-K404 PolarHBondContact O-N 3.35Å; S400-K404 VanDerWaalsContact O-N 3.15Å; V402-K404 PolarHBondContact O-N 3.26Å; K404-S406 VanDerWaalsContact C-N 3.33Å; K404-S406 PolarHBondContact O-N 3.31Å; K404-L407 PolarHBondContact O-N 2.62Å; K404-D408 IonicContact NZ-OD1 3.48Å; K404-D408 PolarHBondContact NZ-OD1 3.03Å; K404-D408 IonicContact NZ-OD2 3.46Å; K404-D408 PolarHBondContact NZ-OD2 3.32Å; K404-D408 WeakPolarHBondContact O-CB 3.41Å; K404-D408 PolarHBondContact O-N 3.18Å
405	R	97.9	Very high	97.8	Very high	89 Å²	89	43.9 Å²	43.9	34%	0.336	22%	0.223	S	C	.	.	H	α-helix	trans	-63.2	-40.8	-179.2	-69.8	-174	-65.8	170.7	6.9	111.7	M1 V402 N403 C409	M1-R405 WeakPolarHBondContact O-CD 3.4Å; M1-R405 PolarHBondContact O-NH1 2.79Å; M1-R405 VanDerWaalsContact O-NH1 3.08Å; V402-R405 WeakPolarHBondContact O-CB 3.28Å; V402-R405 PolarHBondContact O-N 3.3Å; V402-R405 VanDerWaalsContact O-N 3.08Å; N403-R405 VanDerWaalsContact C-N 3.33Å; N403-R405 PolarHBondContact O-N 3.42Å; R405-C409 PolarHBondContact O-N 3.4Å; R405-C409 VanDerWaalsContact O-N 3.12Å
406	S	98.4	Very high	97.8	Very high	8 Å²	8	37.7 Å²	37.7	6%	0.056	20%	0.2	C	C	.	.	H	α-helix	trans	-71.2	-41.8	177.9	-64.3	0	0	0	0	112	V402 N403 K404 C409 I410 S518 W519	V402-S406 PolarHBondContact O-N 2.86Å; V402-S406 VanDerWaalsContact O-N 3.08Å; V402-S406 PolarHBondContact O-OG 2.83Å; N403-S406 PolarHBondContact O-N 3.46Å; K404-S406 VanDerWaalsContact C-N 3.33Å; K404-S406 PolarHBondContact O-N 3.31Å; S406-C409 VanDerWaalsContact O-CB 3.22Å; S406-C409 WeakPolarHBondContact O-CB 3.41Å; S406-C409 PolarHBondContact O-N 3.05Å; S406-I410 PolarHBondContact O-N 3Å; S406-S518 WeakPolarHBondContact CB-O 3.28Å; S406-S518 PolarHBondContact OG-N 2.92Å; S406-S518 PolarHBondContact OG-O 3.3Å; S406-W519 VanDerWaalsContact CB-CH2 3.43Å
407	L	98.6	Very high	97.9	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-63.9	-47.3	174.3	-179.4	61.8	0	0	0	111.8	W390 R394 F398 N403 K404 C409 I410 E411 W451 W519	W390-L407 HydrophobicContact CH2-CD1 4.47Å; W390-L407 HydrophobicContact CH2-CD2 4.43Å; R394-L407 HydrophobicContact CG-CD2 3.85Å; F398-L407 HydrophobicContact CB-CD2 3.49Å; F398-L407 VanDerWaalsContact CB-CD2 3.49Å; F398-L407 HydrophobicContact CD1-CB 4.36Å; F398-L407 HydrophobicContact CD1-CD2 4.32Å; F398-L407 HydrophobicContact CG-CD2 4.08Å; N403-L407 WeakPolarHBondContact O-CB 3.08Å; N403-L407 PolarHBondContact O-N 3.33Å; K404-L407 PolarHBondContact O-N 2.62Å; L407-C409 PolarHBondContact O-N 2.93Å; L407-C409 VanDerWaalsContact O-N 3.17Å; L407-I410 PolarHBondContact O-N 3.05Å; L407-E411 HydrophobicContact CD1-CG 4.03Å; L407-E411 HydrophobicContact CG-CG 4.16Å; L407-E411 WeakPolarHBondContact CG-OE1 3.36Å; L407-E411 WeakPolarHBondContact O-CG 3.34Å; L407-E411 PolarHBondContact O-N 2.98Å; L407-W451 HydrophobicContact CD1-CH2 3.83Å; L407-W451 HydrophobicContact CD1-CZ2 3.43Å; L407-W451 VanDerWaalsContact CD1-CZ2 3.43Å; L407-W519 HydrophobicContact CB-CH2 4.44Å; L407-W519 HydrophobicContact CB-CZ3 4.42Å
408	D	97.8	Very high	97.9	Very high	46 Å²	46	29 Å²	29	25%	0.246	16%	0.161	C	C	.	.	H	α-helix	trans	-55.6	-34.4	174.5	-75.7	-17.3	0	0	0	110.8	K404 R412	K404-D408 IonicContact NZ-OD1 3.48Å; K404-D408 PolarHBondContact NZ-OD1 3.03Å; K404-D408 IonicContact NZ-OD2 3.46Å; K404-D408 PolarHBondContact NZ-OD2 3.32Å; K404-D408 WeakPolarHBondContact O-CB 3.41Å; K404-D408 PolarHBondContact O-N 3.18Å; D408-R412 WeakPolarHBondContact O-CB 3.16Å; D408-R412 WeakPolarHBondContact O-CG 3.39Å; D408-R412 PolarHBondContact O-N 3.03Å
409	C	98.3	Very high	97.9	Very high	12 Å²	12	28.9 Å²	28.9	8%	0.081	16%	0.161	C	C	.	.	H	α-helix	trans	-63.7	-48.1	174.8	-168.6	0	0	0	0	111.4	Y332 R405 S406 L407 A413 L517	Y332-C409 VanDerWaalsContact CE2-O 3.23Å; Y332-C409 WeakPolarHBondContact CE2-O 3.34Å; Y332-C409 WeakPolarHBondContact CE2-SG 3.13Å; Y332-C409 PolarHBondContact OH-O 3.39Å; R405-C409 PolarHBondContact O-N 3.4Å; R405-C409 VanDerWaalsContact O-N 3.12Å; S406-C409 VanDerWaalsContact O-CB 3.22Å; S406-C409 WeakPolarHBondContact O-CB 3.41Å; S406-C409 PolarHBondContact O-N 3.05Å; L407-C409 PolarHBondContact O-N 2.93Å; L407-C409 VanDerWaalsContact O-N 3.17Å; C409-A413 PolarHBondContact O-N 3.39Å; C409-L517 HydrophobicContact CB-CD1 4.24Å; C409-L517 HydrophobicContact CB-CD2 4.12Å
410	I	98.5	Very high	97.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.8	-47.9	178.8	-64.5	173.2	0	0	0	110.7	A334 Y341 S406 L407 R412 A413 F416 W451 K454 L517 W519	A334-I410 HydrophobicContact CB-CB 4.47Å; A334-I410 HydrophobicContact CB-CG1 4.15Å; Y341-I410 HydrophobicContact CD1-CD1 3.62Å; Y341-I410 HydrophobicContact CE1-CD1 4.08Å; Y341-I410 HydrophobicContact CG-CD1 4.2Å; S406-I410 PolarHBondContact O-N 3Å; L407-I410 PolarHBondContact O-N 3.05Å; I410-R412 VanDerWaalsContact C-N 3.31Å; I410-R412 PolarHBondContact O-N 3.32Å; I410-A413 WeakPolarHBondContact O-CB 3.44Å; I410-A413 PolarHBondContact O-N 2.7Å; I410-F416 HydrophobicContact CG2-CD2 3.91Å; I410-F416 HydrophobicContact CG2-CE2 3.95Å; I410-W451 HydrophobicContact CD1-CE3 4.13Å; I410-W451 HydrophobicContact CD1-CH2 4.02Å; I410-W451 HydrophobicContact CD1-CZ3 3.8Å; I410-W451 HydrophobicContact CG2-CD2 3.55Å; I410-W451 HydrophobicContact CG2-CE3 4.08Å; I410-W451 HydrophobicContact CG2-CG 3.77Å; I410-W451 HydrophobicContact CG2-CZ2 4.1Å; I410-K454 PolarHBondContact O-NZ 2.79Å; I410-L517 HydrophobicContact CD1-CD1 4.2Å; I410-L517 HydrophobicContact CG1-CD1 3.88Å; I410-W519 HydrophobicContact CD1-CH2 4.06Å; I410-W519 HydrophobicContact CD1-CZ2 3.89Å
411	E	97.9	Very high	97.9	Very high	4 Å²	4	25 Å²	25	2%	0.019	13%	0.128	C	C	.	.	H	α-helix	trans	-61.6	-38.2	-177.9	-69.9	-179.1	170.9	0	0	111.5	T314 I316 W327 R394 L407 K454	T314-E411 HydrophobicContact CG2-CB 4.47Å; T314-E411 HydrophobicContact CG2-CG 4.17Å; T314-E411 WeakPolarHBondContact OG1-CA 3.29Å; T314-E411 PolarHBondContact OG1-O 3.34Å; I316-E411 VanDerWaalsContact CD1-CD 3.5Å; I316-E411 HydrophobicContact CD1-CG 4.12Å; I316-E411 WeakPolarHBondContact CD1-OE1 3.49Å; W327-E411 HydrophobicContact CH2-CB 3.72Å; W327-E411 HydrophobicContact CZ2-CB 4.06Å; W327-E411 HydrophobicContact CZ3-CB 4.42Å; W327-E411 WeakPolarHBondContact CZ3-O 3.46Å; R394-E411 IonicContact CZ-OE1 2.84Å; R394-E411 VanDerWaalsContact CZ-OE1 3.31Å; R394-E411 IonicContact CZ-OE2 3.69Å; R394-E411 IonicContact NE-OE1 3.51Å; R394-E411 PolarHBondContact NE-OE1 3.33Å; R394-E411 VanDerWaalsContact NH2-CD 3.29Å; R394-E411 IonicContact NH2-OE1 2.72Å; R394-E411 PolarHBondContact NH2-OE1 3.18Å; R394-E411 IonicContact NH2-OE2 3.53Å; R394-E411 PolarHBondContact NH2-OE2 3.3Å; L407-E411 HydrophobicContact CD1-CG 4.03Å; L407-E411 HydrophobicContact CG-CG 4.16Å; L407-E411 WeakPolarHBondContact CG-OE1 3.36Å; L407-E411 WeakPolarHBondContact O-CG 3.34Å; L407-E411 PolarHBondContact O-N 2.98Å; E411-K454 PolarHBondContact O-NZ 3.18Å
412	R	97.6	Very high	97.7	Very high	125 Å²	125	25.3 Å²	25.3	47%	0.472	12%	0.117	S	C	.	.	H	α-helix	trans	-89.7	-6.4	180	-60.7	178.2	77.9	-158.1	3.9	114.8	W327 S330 D408 I410	W327-R412 HydrophobicContact CD2-CG 3.87Å; W327-R412 HydrophobicContact CG-CG 3.93Å; W327-R412 HydrophobicContact CZ2-CG 4.3Å; S330-R412 WeakPolarHBondContact CB-O 3.25Å; S330-R412 PolarHBondContact OG-O 2.89Å; D408-R412 WeakPolarHBondContact O-CB 3.16Å; D408-R412 WeakPolarHBondContact O-CG 3.39Å; D408-R412 PolarHBondContact O-N 3.03Å; I410-R412 VanDerWaalsContact C-N 3.31Å; I410-R412 PolarHBondContact O-N 3.32Å
413	A	98.4	Very high	97.5	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-56.5	153.4	177.2	0	0	0	0	0	112.2	Y332 A334 C409 I410 F415 K454	Y332-A413 HydrophobicContact CD2-CB 4.17Å; Y332-A413 HydrophobicContact CE2-CB 3.85Å; A334-A413 HydrophobicContact CB-CB 3.75Å; C409-A413 PolarHBondContact O-N 3.39Å; I410-A413 WeakPolarHBondContact O-CB 3.44Å; I410-A413 PolarHBondContact O-N 2.7Å; A413-F415 VanDerWaalsContact C-N 3.3Å; A413-F415 PolarHBondContact O-N 2.79Å; A413-K454 WeakPolarHBondContact O-CE 3.36Å; A413-K454 PolarHBondContact O-NZ 2.88Å
414	A	97.9	Very high	97.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-60.3	-42.3	178.1	0	0	0	0	0	112.4	F279 Y311 N312 S330 Y332 I333	F279-A414 HydrophobicContact CE1-CB 4.14Å; F279-A414 HydrophobicContact CZ-CB 3.67Å; Y311-A414 WeakPolarHBondContact CA-O 3.18Å; N312-A414 PolarHBondContact N-O 3.45Å; N312-A414 WeakPolarHBondContact OD1-CA 3.45Å; S330-A414 PolarHBondContact OG-N 3.21Å; Y332-A414 WeakPolarHBondContact O-CB 3.36Å; Y332-A414 PolarHBondContact O-N 3.18Å; I333-A414 HydrophobicContact CG2-CB 4.22Å
415	F	98.6	Very high	96.6	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-161.2	171.9	170.7	55.6	-87.9	0	0	0	108.2	I275 F278 F279 Y311 I333 A334 A413 V417 F456 V458	I275-F415 HydrophobicContact CB-CZ 4.49Å; I275-F415 HydrophobicContact CG1-CE2 4.4Å; I275-F415 HydrophobicContact CG1-CZ 4.28Å; I275-F415 HydrophobicContact CG2-CZ 4.16Å; F278-F415 HydrophobicContact CB-CE1 3.77Å; F278-F415 HydrophobicContact CB-CZ 3.9Å; F278-F415 HydrophobicContact CD2-CE2 4.35Å; F278-F415 HydrophobicContact CD2-CZ 4.02Å; F278-F415 HydrophobicContact CG-CE1 4.21Å; F278-F415 HydrophobicContact CG-CZ 4.08Å; F279-F415 HydrophobicContact CD2-CE1 4.25Å; F279-F415 AromaticContact CE2-CE1 3.65Å; F279-F415 HydrophobicContact CE2-CE1 3.65Å; F279-F415 HydrophobicContact CE2-CZ 4.16Å; F279-F415 HydrophobicContact CZ-CE1 4.24Å; Y311-F415 AromaticContact CD1-CD1 3.98Å; Y311-F415 HydrophobicContact CD1-CD1 3.98Å; Y311-F415 AromaticContact CE1-CD1 3.98Å; Y311-F415 HydrophobicContact CE1-CD1 3.98Å; Y311-F415 HydrophobicContact CE1-CE1 4.33Å; I333-F415 HydrophobicContact CG2-CD1 3.93Å; I333-F415 HydrophobicContact CG2-CD2 4.27Å; I333-F415 HydrophobicContact CG2-CE1 3.65Å; I333-F415 HydrophobicContact CG2-CE2 4.01Å; I333-F415 HydrophobicContact CG2-CG 4.24Å; I333-F415 HydrophobicContact CG2-CZ 3.7Å; A334-F415 PolarHBondContact N-O 3.22Å; A413-F415 VanDerWaalsContact C-N 3.3Å; A413-F415 PolarHBondContact O-N 2.79Å; F415-V417 HydrophobicContact CD2-CG2 3.87Å; F415-V417 HydrophobicContact CE2-CG2 3.52Å; F415-F456 HydrophobicContact CB-CD1 4.39Å; F415-F456 HydrophobicContact CB-CD2 4Å; F415-F456 HydrophobicContact CB-CE1 3.85Å; F415-F456 HydrophobicContact CB-CE2 3.43Å; F415-F456 VanDerWaalsContact CB-CE2 3.43Å; F415-F456 HydrophobicContact CB-CG 4.45Å; F415-F456 HydrophobicContact CB-CZ 3.35Å; F415-F456 HydrophobicContact CD1-CE2 4.19Å; F415-F456 AromaticContact CD1-CZ 3.89Å; F415-F456 HydrophobicContact CD1-CZ 3.89Å; F415-F456 AromaticContact CD2-CE2 3.92Å; F415-F456 HydrophobicContact CD2-CE2 3.92Å; F415-F456 HydrophobicContact CD2-CZ 4.42Å; F415-F456 AromaticContact CG-CE2 3.61Å; F415-F456 HydrophobicContact CG-CE2 3.61Å; F415-F456 AromaticContact CG-CZ 3.67Å; F415-F456 HydrophobicContact CG-CZ 3.67Å; F415-V458 HydrophobicContact CD2-CG2 3.93Å; F415-V458 HydrophobicContact CE2-CG2 4.07Å
416	F	98.9	Very high	95.5	Very high	1 Å²	1	24.9 Å²	24.9	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	144	178.6	-165	-95.4	0	0	0	110.5	A334 Y341 I410 W451 K454 F456 T457 V458	A334-F416 HydrophobicContact CB-CD2 3.77Å; A334-F416 HydrophobicContact CB-CE2 4.11Å; A334-F416 CarbonylContact O-C 3.33Å; Y341-F416 HydrophobicContact CD1-CE2 4.09Å; Y341-F416 HydrophobicContact CD1-CZ 4.01Å; Y341-F416 HydrophobicContact CE1-CE2 4.19Å; Y341-F416 AromaticContact CE1-CZ 3.82Å; Y341-F416 HydrophobicContact CE1-CZ 3.82Å; I410-F416 HydrophobicContact CG2-CD2 3.91Å; I410-F416 HydrophobicContact CG2-CE2 3.95Å; F416-W451 HydrophobicContact CB-CB 4.32Å; F416-W451 HydrophobicContact CD1-CB 3.86Å; F416-W451 HydrophobicContact CD2-CB 3.69Å; F416-W451 HydrophobicContact CD2-CG 4.28Å; F416-W451 HydrophobicContact CE1-CB 4Å; F416-W451 HydrophobicContact CE2-CB 3.82Å; F416-W451 HydrophobicContact CE2-CD2 4.48Å; F416-W451 HydrophobicContact CE2-CE3 4.31Å; F416-W451 HydrophobicContact CE2-CG 4.32Å; F416-W451 HydrophobicContact CG-CB 3.7Å; F416-W451 HydrophobicContact CZ-CB 3.96Å; F416-W451 HydrophobicContact CZ-CE3 4.49Å; F416-K454 HydrophobicContact CB-CB 4.12Å; F416-K454 HydrophobicContact CB-CD 4.48Å; F416-K454 HydrophobicContact CB-CG 3.87Å; F416-F456 PolarHBondContact N-O 2.92Å; F416-T457 HydrophobicContact CD1-CG2 3.76Å; F416-T457 CarbonylContact O-C 3.41Å; F416-T457 WeakPolarHBondContact O-CA 3.37Å; F416-V458 PolarHBondContact O-N 2.88Å
417	V	98.9	Very high	93.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.5	177.6	171.9	0	0	0	0	109.2	I275 I333 A334 V335 Y336 F415 L419 V458 Y460	I275-V417 HydrophobicContact CD1-CG2 4.34Å; I333-V417 HydrophobicContact CD1-CB 4.47Å; I333-V417 HydrophobicContact CD1-CG2 3.71Å; A334-V417 PolarHBondContact O-N 2.81Å; V335-V417 CarbonylContact C-O 3.42Å; V335-V417 WeakPolarHBondContact CA-O 3.34Å; V335-V417 HydrophobicContact CG1-CB 4.39Å; V335-V417 HydrophobicContact CG1-CG1 4.16Å; V335-V417 HydrophobicContact CG2-CB 4.26Å; Y336-V417 PolarHBondContact N-O 3.27Å; F415-V417 HydrophobicContact CD2-CG2 3.87Å; F415-V417 HydrophobicContact CE2-CG2 3.52Å; V417-L419 HydrophobicContact CG1-CD2 4.03Å; V417-L419 HydrophobicContact CG1-CG 4.31Å; V417-V458 CarbonylContact C-O 3.54Å; V417-V458 WeakPolarHBondContact CA-O 3.26Å; V417-Y460 HydrophobicContact CG1-CD2 3.66Å; V417-Y460 HydrophobicContact CG1-CE2 3.63Å; V417-Y460 HydrophobicContact CG2-CE2 4.31Å
418	A	98.7	Very high	91.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	118.8	170.9	0	0	0	0	0	109.6	D449 T457 V458 V459 Y460	A418-D449 WeakPolarHBondContact CB-O 3.48Å; A418-T457 HydrophobicContact CB-CG2 4.16Å; A418-V458 PolarHBondContact N-O 2.78Å; A418-V459 HydrophobicContact CB-CG1 4.5Å; A418-V459 HydrophobicContact CB-CG2 4.41Å; A418-V459 WeakPolarHBondContact O-CA 3.42Å; A418-Y460 PolarHBondContact O-N 2.68Å
419	L	98.8	Very high	89.7	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	96.2	172.1	-57.8	175.6	0	0	0	107.9	V335 Y336 H337 I362 I365 L366 V417 Y460	V335-L419 HydrophobicContact CG1-CD1 3.61Å; V335-L419 HydrophobicContact CG1-CG 3.87Å; Y336-L419 PolarHBondContact O-N 2.78Å; H337-L419 HydrophobicContact CB-CB 4.06Å; H337-L419 HydrophobicContact CB-CD1 4.26Å; H337-L419 PolarHBondContact ND1-O 3.19Å; I362-L419 HydrophobicContact CD1-CD1 4.37Å; I362-L419 HydrophobicContact CG2-CD1 3.86Å; I362-L419 HydrophobicContact CG2-CD2 4.01Å; I365-L419 HydrophobicContact CB-CD1 4.42Å; I365-L419 HydrophobicContact CG2-CD1 3.99Å; L366-L419 HydrophobicContact CD2-CB 4.04Å; L366-L419 HydrophobicContact CD2-CD1 3.88Å; L366-L419 HydrophobicContact CD2-CG 4.49Å; L366-L419 HydrophobicContact CG-CD1 4.25Å; V417-L419 HydrophobicContact CG1-CD2 4.03Å; V417-L419 HydrophobicContact CG1-CG 4.31Å; L419-Y460 HydrophobicContact CD2-CD2 3.99Å; L419-Y460 HydrophobicContact CD2-CG 4.47Å
420	D	96.9	Very high	87.7	Confident	10 Å²	10	39.9 Å²	39.9	5%	0.053	21%	0.211	C	C	.	.			trans	-83.1	144.1	-174.7	-144.8	-47.8	0	0	0	111.2	Q267 D422 R450 V459 Y460 Y461 K462	Q267-D420 PolarHBondContact NE2-O 3.41Å; D420-D422 PolarHBondContact OD1-N 3.42Å; D420-R450 IonicContact OD2-CZ 3.44Å; D420-R450 IonicContact OD2-NH1 3.04Å; D420-R450 PolarHBondContact OD2-NH1 3.36Å; D420-R450 VanDerWaalsContact OD2-NH1 3.13Å; D420-R450 IonicContact OD2-NH2 3.98Å; D420-R450 PolarHBondContact OD2-NH2 3.36Å; D420-V459 HydrophobicContact CB-CG1 4.21Å; D420-Y460 PolarHBondContact N-O 3.19Å; D420-Y461 HydrophobicContact CB-CD1 3.86Å; D420-Y461 HydrophobicContact CB-CE1 4.1Å; D420-K462 PolarHBondContact O-N 3.41Å
421	D	93.6	Very high	86	Confident	59 Å²	59	40.8 Å²	40.8	32%	0.316	22%	0.217	S	C	.	.	S	Bend	trans	-85.5	-16.6	177.8	-75.5	-63.2	0	0	0	112.1	H337 R338 K462	H337-D421 IonicContact CE1-OD1 2.88Å; H337-D421 IonicContact CE1-OD2 3.18Å; R338-D421 WeakPolarHBondContact CG-OD2 3.45Å; R338-D421 IonicContact CZ-OD1 3.12Å; R338-D421 VanDerWaalsContact CZ-OD1 3.28Å; R338-D421 IonicContact CZ-OD2 3.28Å; R338-D421 VanDerWaalsContact NE-CG 3.31Å; R338-D421 IonicContact NE-OD1 2.83Å; R338-D421 PolarHBondContact NE-OD1 2.89Å; R338-D421 IonicContact NE-OD2 3.35Å; R338-D421 PolarHBondContact NE-OD2 3.23Å; R338-D421 IonicContact NH2-OD1 3.91Å; R338-D421 PolarHBondContact NH2-OD1 3.29Å; R338-D421 IonicContact NH2-OD2 2.78Å; D421-K462 WeakPolarHBondContact O-CD 3.45Å
422	D	93.7	Very high	84.3	Confident	57 Å²	57	43.7 Å²	43.7	31%	0.305	24%	0.236	S	C	.	.	S	Bend	trans	-75.4	156.4	179.1	-77	-16.2	0	0	0	112.4	D420 R424 Y461 K462	D420-D422 PolarHBondContact OD1-N 3.42Å; D422-R424 IonicContact OD2-CZ 3.8Å; D422-R424 IonicContact OD2-NE 3.73Å; D422-R424 IonicContact OD2-NH2 3.55Å; D422-R424 PolarHBondContact OD2-NH2 2.9Å; D422-Y461 HydrophobicContact CB-CD1 4.45Å; D422-Y461 WeakPolarHBondContact O-CB 3.29Å; D422-Y461 WeakPolarHBondContact O-CD1 3.4Å; D422-K462 PolarHBondContact O-N 2.94Å
423	E	93.1	Very high	83.5	Confident	101 Å²	101	42.8 Å²	42.8	47%	0.472	24%	0.237	S	C	.	.			trans	-102.5	128.8	166.8	-62.5	-178.1	-167.7	0	0	109.1	M427 K462 N463	E423-M427 WeakPolarHBondContact O-CE 3.15Å; E423-K462 HydrophobicContact CG-CB 4.04Å; E423-K462 HydrophobicContact CG-CD 4.46Å; E423-N463 HydrophobicContact CB-CB 4.2Å; E423-N463 HydrophobicContact CG-CB 3.9Å
424	R	91.6	Very high	82.9	Confident	52 Å²	52	42.8 Å²	42.8	20%	0.196	24%	0.237	C	C	.	.			trans	-136.2	170.1	179.9	-62	-63.5	-178.5	-136.5	-0.1	110.6	D422 Y438 Y461 N463 K465	D422-R424 IonicContact OD2-CZ 3.8Å; D422-R424 IonicContact OD2-NE 3.73Å; D422-R424 IonicContact OD2-NH2 3.55Å; D422-R424 PolarHBondContact OD2-NH2 2.9Å; R424-Y438 HydrophobicContact CB-CD2 3.55Å; R424-Y438 HydrophobicContact CB-CE2 4.23Å; R424-Y438 HydrophobicContact CB-CG 4.13Å; R424-Y438 HydrophobicContact CG-CD2 4.37Å; R424-Y461 HydrophobicContact CB-CD1 3.78Å; R424-Y461 HydrophobicContact CB-CD2 4.06Å; R424-Y461 HydrophobicContact CB-CE1 3.81Å; R424-Y461 HydrophobicContact CB-CE2 4.11Å; R424-Y461 HydrophobicContact CB-CG 3.89Å; R424-Y461 HydrophobicContact CG-CD1 3.43Å; R424-Y461 VanDerWaalsContact CG-CD1 3.43Å; R424-Y461 HydrophobicContact CG-CE1 3.21Å; R424-Y461 HydrophobicContact CG-CE2 4.37Å; R424-Y461 HydrophobicContact CG-CG 4.09Å; R424-N463 PolarHBondContact O-ND2 3.1Å; R424-K465 WeakPolarHBondContact O-CG 3.44Å
425	G	83.9	Confident	82.6	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.01	24%	0.239	C	C	.	.	S	Bend	trans	122.7	-172	-178.1	0	0	0	0	0	112	M427	G425-M427 PolarHBondContact O-N 2.93Å
426	M	75	Confident	82.4	Confident	43 Å²	43	43.7 Å²	43.7	21%	0.212	24%	0.242	C	C	.	.	S	Bend	trans	-63.1	116.2	165.7	-75.3	-70.1	-62.7	0	0	108.7	Q259 N430 L435	Q259-M426 HydrophobicContact CG-CG 3.79Å; Q259-M426 HydrophobicContact CG-SD 4.42Å; Q259-M426 WeakPolarHBondContact O-CG 3.11Å; M426-N430 HydrophobicContact CE-CB 4.45Å; M426-N430 WeakPolarHBondContact CE-OD1 3.48Å; M426-L435 HydrophobicContact CG-CD2 3.81Å; M426-L435 HydrophobicContact CG-CG 4.38Å; M426-L435 HydrophobicContact SD-CD1 3.52Å; M426-L435 VanDerWaalsContact SD-CD1 3.52Å; M426-L435 HydrophobicContact SD-CD2 3.47Å; M426-L435 WeakPolarHBondContact SD-CD2 3.17Å; M426-L435 HydrophobicContact SD-CG 3.37Å; M426-L435 WeakPolarHBondContact SD-CG 3.32Å
427	M	64.2	Low	82.1	Confident	48 Å²	48	49.4 Å²	49.4	24%	0.236	26%	0.264	C	S	.	.			trans	-79.5	157.1	177.2	-63.2	-60.7	167.3	0	0	110.6	E423 G425 D429 N430	E423-M427 WeakPolarHBondContact O-CE 3.15Å; G425-M427 PolarHBondContact O-N 2.93Å; M427-D429 WeakPolarHBondContact CB-OD1 3.39Å; M427-D429 PolarHBondContact O-N 3.19Å; M427-D429 VanDerWaalsContact O-N 3.12Å; M427-N430 PolarHBondContact O-N 3.11Å
428	A	56	Low	82	Confident	114 Å²	114	49.6 Å²	49.6	94%	0.942	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.6	-175	0	0	0	0	0	114.1	N430	A428-N430 VanDerWaalsContact C-N 3.27Å
429	D	53.3	Low	81.8	Confident	111 Å²	111	49.6 Å²	49.6	59%	0.594	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-2.6	175.4	62.4	2.4	0	0	0	113.5	M427 S431	M427-D429 WeakPolarHBondContact CB-OD1 3.39Å; M427-D429 PolarHBondContact O-N 3.19Å; M427-D429 VanDerWaalsContact O-N 3.12Å; D429-S431 VanDerWaalsContact CG-OG 3.25Å; D429-S431 PolarHBondContact O-N 2.92Å; D429-S431 VanDerWaalsContact O-N 3.07Å; D429-S431 VanDerWaalsContact OD1-CB 3.26Å; D429-S431 WeakPolarHBondContact OD1-CB 3.44Å; D429-S431 PolarHBondContact OD1-N 3.49Å; D429-S431 PolarHBondContact OD1-OG 3.44Å; D429-S431 PolarHBondContact OD2-OG 3.43Å
430	N	56.9	Low	81.7	Confident	110 Å²	110	52 Å²	52	59%	0.588	28%	0.275	S	S	*	.			trans	50.2	26.5	-172.8	-76.9	-33.7	0	0	0	113.4	M426 M427 A428	M426-N430 HydrophobicContact CE-CB 4.45Å; M426-N430 WeakPolarHBondContact CE-OD1 3.48Å; M427-N430 PolarHBondContact O-N 3.11Å; A428-N430 VanDerWaalsContact C-N 3.27Å
431	S	61.1	Low	81.7	Confident	18 Å²	18	51.9 Å²	51.9	13%	0.126	28%	0.275	C	S	.	.			trans	-61.9	126.2	176.9	58.4	0	0	0	0	109.7	D429 E433 G434	D429-S431 VanDerWaalsContact CG-OG 3.25Å; D429-S431 PolarHBondContact O-N 2.92Å; D429-S431 VanDerWaalsContact O-N 3.07Å; D429-S431 VanDerWaalsContact OD1-CB 3.26Å; D429-S431 WeakPolarHBondContact OD1-CB 3.44Å; D429-S431 PolarHBondContact OD1-N 3.49Å; D429-S431 PolarHBondContact OD1-OG 3.44Å; D429-S431 PolarHBondContact OD2-OG 3.43Å; S431-E433 VanDerWaalsContact CB-OE2 3.22Å; S431-E433 WeakPolarHBondContact CB-OE2 3.42Å; S431-E433 PolarHBondContact O-N 3.29Å; S431-E433 VanDerWaalsContact O-N 3.14Å; S431-G434 PolarHBondContact O-N 3.14Å
432	P	63.6	Low	81.9	Confident	65 Å²	65	49.1 Å²	49.1	42%	0.422	26%	0.26	S	S	.	.	H	α-helix	trans	-50.8	-33.3	173	-27.3	35.1	0	0	0	112.4	G434 L435 D436	P432-G434 PolarHBondContact O-N 2.84Å; P432-G434 VanDerWaalsContact O-N 3.09Å; P432-L435 PolarHBondContact O-N 3Å; P432-L435 VanDerWaalsContact O-N 3.11Å; P432-D436 PolarHBondContact O-N 3Å
433	E	79.7	Confident	82.1	Confident	107 Å²	107	46.4 Å²	46.4	50%	0.5	25%	0.245	S	C	.	.	H	α-helix	trans	-60.6	-21	177.5	-59.3	89.8	163.2	0	0	113.2	S431 R437	S431-E433 VanDerWaalsContact CB-OE2 3.22Å; S431-E433 WeakPolarHBondContact CB-OE2 3.42Å; S431-E433 PolarHBondContact O-N 3.29Å; S431-E433 VanDerWaalsContact O-N 3.14Å; E433-R437 WeakPolarHBondContact O-CB 3.35Å; E433-R437 VanDerWaalsContact O-CG 3.31Å; E433-R437 WeakPolarHBondContact O-CG 3.37Å; E433-R437 PolarHBondContact O-N 3.46Å; E433-R437 PolarHBondContact O-NE 2.87Å; E433-R437 VanDerWaalsContact O-NE 3.16Å
434	G	86.8	Confident	82.3	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-46.4	173.5	0	0	0	0	0	113	S431 P432 Y438	S431-G434 PolarHBondContact O-N 3.14Å; P432-G434 PolarHBondContact O-N 2.84Å; P432-G434 VanDerWaalsContact O-N 3.09Å; G434-Y438 WeakPolarHBondContact O-CB 3.42Å; G434-Y438 PolarHBondContact O-N 3.39Å; G434-Y438 VanDerWaalsContact O-N 3.12Å
435	L	91.3	Very high	82.5	Confident	8 Å²	8	40.4 Å²	40.4	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-71	-35.2	178.8	-71.4	-179.9	0	0	0	111.9	M426 P432 Y438 A439 V547	M426-L435 HydrophobicContact CG-CD2 3.81Å; M426-L435 HydrophobicContact CG-CG 4.38Å; M426-L435 HydrophobicContact SD-CD1 3.52Å; M426-L435 VanDerWaalsContact SD-CD1 3.52Å; M426-L435 HydrophobicContact SD-CD2 3.47Å; M426-L435 WeakPolarHBondContact SD-CD2 3.17Å; M426-L435 HydrophobicContact SD-CG 3.37Å; M426-L435 WeakPolarHBondContact SD-CG 3.32Å; P432-L435 PolarHBondContact O-N 3Å; P432-L435 VanDerWaalsContact O-N 3.11Å; L435-Y438 HydrophobicContact CD2-CD1 4.43Å; L435-Y438 PolarHBondContact O-N 3.49Å; L435-A439 WeakPolarHBondContact O-CB 3.37Å; L435-A439 PolarHBondContact O-N 3.05Å; L435-V547 HydrophobicContact CB-CB 3.86Å; L435-V547 HydrophobicContact CB-CG1 4Å; L435-V547 HydrophobicContact CD1-CG1 4.1Å
436	D	94.3	Very high	83.1	Confident	10 Å²	10	43.1 Å²	43.1	5%	0.053	24%	0.237	C	C	.	.	H	α-helix	trans	-64.4	-47.3	178.5	-61.8	-17.5	0	0	0	111.1	P432 Y438 A439 K440 F545 H546 V547 H746	P432-D436 PolarHBondContact O-N 3Å; D436-Y438 VanDerWaalsContact C-N 3.28Å; D436-Y438 PolarHBondContact O-N 3.5Å; D436-A439 WeakPolarHBondContact O-CB 3.42Å; D436-A439 PolarHBondContact O-N 3.34Å; D436-K440 WeakPolarHBondContact O-CB 3.39Å; D436-K440 WeakPolarHBondContact O-CG 3.36Å; D436-K440 PolarHBondContact O-N 3.39Å; D436-F545 HydrophobicContact CB-CB 4.41Å; D436-F545 VanDerWaalsContact CG-O 3.3Å; D436-H546 VanDerWaalsContact OD1-CA 3.23Å; D436-H546 WeakPolarHBondContact OD1-CA 3.49Å; D436-H546 IonicContact OD2-ND1 2.78Å; D436-V547 PolarHBondContact OD1-N 2.95Å; D436-H746 IonicContact OD2-CE1 3.75Å; D436-H746 PolarHBondContact OD2-CE1 3.31Å; D436-H746 IonicContact OD2-NE2 3.71Å; D436-H746 PolarHBondContact OD2-NE2 2.96Å
437	R	93.8	Very high	84.2	Confident	121 Å²	121	41.1 Å²	41.1	46%	0.457	23%	0.227	S	C	.	.	H	α-helix	trans	-62.1	-37.5	174.8	-73.9	-176.7	-67.3	-175.3	0.1	112.1	E433 S441	E433-R437 WeakPolarHBondContact O-CB 3.35Å; E433-R437 VanDerWaalsContact O-CG 3.31Å; E433-R437 WeakPolarHBondContact O-CG 3.37Å; E433-R437 PolarHBondContact O-N 3.46Å; E433-R437 PolarHBondContact O-NE 2.87Å; E433-R437 VanDerWaalsContact O-NE 3.16Å; R437-S441 WeakPolarHBondContact O-CB 3.45Å; R437-S441 PolarHBondContact O-N 3.31Å
438	Y	94.9	Very high	85.8	Confident	5 Å²	5	41.6 Å²	41.6	2%	0.02	23%	0.227	C	C	.	.	H	α-helix	trans	-67.2	-42.6	177	-179.5	-147.9	0	0	0	112.2	M256 D257 R424 G434 L435 D436 S441 L442 Y461 S466	M256-Y438 HydrophobicContact CB-CE1 3.87Å; M256-Y438 HydrophobicContact CE-CD1 3.77Å; M256-Y438 HydrophobicContact CE-CE1 4.33Å; M256-Y438 HydrophobicContact CE-CG 4.19Å; M256-Y438 HydrophobicContact CG-CD1 4.09Å; M256-Y438 HydrophobicContact CG-CE1 3.67Å; M256-Y438 HydrophobicContact SD-CD1 3.67Å; M256-Y438 HydrophobicContact SD-CE1 3.73Å; D257-Y438 WeakPolarHBondContact CB-OH 3.33Å; D257-Y438 PolarHBondContact N-OH 2.99Å; R424-Y438 HydrophobicContact CB-CD2 3.55Å; R424-Y438 HydrophobicContact CB-CE2 4.23Å; R424-Y438 HydrophobicContact CB-CG 4.13Å; R424-Y438 HydrophobicContact CG-CD2 4.37Å; G434-Y438 WeakPolarHBondContact O-CB 3.42Å; G434-Y438 PolarHBondContact O-N 3.39Å; G434-Y438 VanDerWaalsContact O-N 3.12Å; L435-Y438 HydrophobicContact CD2-CD1 4.43Å; L435-Y438 PolarHBondContact O-N 3.49Å; D436-Y438 VanDerWaalsContact C-N 3.28Å; D436-Y438 PolarHBondContact O-N 3.5Å; Y438-S441 PolarHBondContact O-N 3.35Å; Y438-L442 HydrophobicContact CD2-CD1 3.87Å; Y438-L442 HydrophobicContact CD2-CG 4.01Å; Y438-L442 HydrophobicContact CE1-CD1 4.43Å; Y438-L442 HydrophobicContact CE2-CD1 3.47Å; Y438-L442 VanDerWaalsContact CE2-CD1 3.47Å; Y438-L442 HydrophobicContact CE2-CD2 4.22Å; Y438-L442 HydrophobicContact CE2-CG 3.83Å; Y438-L442 WeakPolarHBondContact O-CG 3.44Å; Y438-L442 PolarHBondContact O-N 2.74Å; Y438-Y461 HydrophobicContact CD2-CE2 4.01Å; Y438-Y461 HydrophobicContact CE2-CD2 4.17Å; Y438-Y461 AromaticContact CE2-CE2 3.55Å; Y438-Y461 HydrophobicContact CE2-CE2 3.55Å; Y438-S466 PolarHBondContact OH-O 3.05Å
439	A	95.8	Very high	87.8	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.9	-52	172.5	0	0	0	0	0	112.2	Y254 M256 L435 D436 S441 L442 L443 F545 V547	Y254-A439 HydrophobicContact CE1-CB 4.38Å; Y254-A439 HydrophobicContact CE2-CB 3.96Å; Y254-A439 WeakPolarHBondContact OH-CB 3.32Å; M256-A439 HydrophobicContact CE-CB 3.57Å; L435-A439 WeakPolarHBondContact O-CB 3.37Å; L435-A439 PolarHBondContact O-N 3.05Å; D436-A439 WeakPolarHBondContact O-CB 3.42Å; D436-A439 PolarHBondContact O-N 3.34Å; A439-S441 VanDerWaalsContact C-N 3.32Å; A439-S441 PolarHBondContact O-N 3.32Å; A439-L442 PolarHBondContact O-N 3.07Å; A439-L442 VanDerWaalsContact O-N 3.15Å; A439-L443 PolarHBondContact O-N 2.92Å; A439-F545 HydrophobicContact CB-CD1 3.96Å; A439-F545 HydrophobicContact CB-CE1 4.35Å; A439-F545 HydrophobicContact CB-CG 4.26Å; A439-V547 HydrophobicContact CB-CG2 3.76Å
440	K	95.8	Very high	89.8	Confident	51 Å²	51	31.1 Å²	31.1	22%	0.222	16%	0.155	C	C	.	.	H	α-helix	trans	-54.6	-48.6	176.5	-75.4	-172.6	-171.8	-155.6	0	111.3	D436 L442 L443 H444 G445 V543 D544 F545	D436-K440 WeakPolarHBondContact O-CB 3.39Å; D436-K440 WeakPolarHBondContact O-CG 3.36Å; D436-K440 PolarHBondContact O-N 3.39Å; K440-L442 VanDerWaalsContact C-N 3.3Å; K440-L442 PolarHBondContact O-N 2.56Å; K440-L443 PolarHBondContact O-N 3.28Å; K440-H444 WeakPolarHBondContact CB-NE2 3.42Å; K440-H444 PolarHBondContact O-CD2 3.23Å; K440-H444 PolarHBondContact O-CE1 2.95Å; K440-H444 PolarHBondContact O-N 3.05Å; K440-H444 PolarHBondContact O-ND1 2.98Å; K440-H444 PolarHBondContact O-NE2 3.47Å; K440-G445 PolarHBondContact O-N 3.01Å; K440-V543 VanDerWaalsContact CE-O 3.29Å; K440-V543 WeakPolarHBondContact CE-O 3.31Å; K440-V543 PolarHBondContact NZ-O 2.79Å; K440-D544 IonicContact NZ-OD1 2.75Å; K440-F545 HydrophobicContact CD-CD2 4.32Å; K440-F545 HydrophobicContact CG-CB 4.11Å; K440-F545 HydrophobicContact CG-CD2 3.43Å; K440-F545 VanDerWaalsContact CG-CD2 3.43Å; K440-F545 HydrophobicContact CG-CE2 4.2Å; K440-F545 HydrophobicContact CG-CG 4.07Å
441	S	96.7	Very high	91.8	Very high	9 Å²	9	26 Å²	26	6%	0.063	13%	0.127	C	C	.	.	H	α-helix	trans	-61	-33.6	178.5	-174.4	0	0	0	0	113.9	R437 Y438 A439 G445 R450 Y461	R437-S441 WeakPolarHBondContact O-CB 3.45Å; R437-S441 PolarHBondContact O-N 3.31Å; Y438-S441 PolarHBondContact O-N 3.35Å; A439-S441 VanDerWaalsContact C-N 3.32Å; A439-S441 PolarHBondContact O-N 3.32Å; S441-G445 WeakPolarHBondContact O-CA 3.42Å; S441-G445 PolarHBondContact O-N 2.97Å; S441-G445 VanDerWaalsContact O-N 3.12Å; S441-R450 PolarHBondContact O-NH2 2.92Å; S441-R450 VanDerWaalsContact O-NH2 3.11Å; S441-Y461 WeakPolarHBondContact CB-OH 3.44Å; S441-Y461 VanDerWaalsContact OG-CE1 3.32Å; S441-Y461 WeakPolarHBondContact OG-CE1 3.45Å; S441-Y461 PolarHBondContact OG-OH 3.08Å
442	L	97.7	Very high	93.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-81	-32.4	175.8	-71.4	173.9	0	0	0	113.3	Y254 M256 Y438 A439 K440 V459 Y461 N469	Y254-L442 HydrophobicContact CD2-CB 3.91Å; Y254-L442 HydrophobicContact CD2-CD1 4.06Å; Y254-L442 HydrophobicContact CG-CB 3.94Å; M256-L442 HydrophobicContact CB-CD1 4.43Å; M256-L442 HydrophobicContact CG-CD1 3.7Å; Y438-L442 HydrophobicContact CD2-CD1 3.87Å; Y438-L442 HydrophobicContact CD2-CG 4.01Å; Y438-L442 HydrophobicContact CE1-CD1 4.43Å; Y438-L442 HydrophobicContact CE2-CD1 3.47Å; Y438-L442 VanDerWaalsContact CE2-CD1 3.47Å; Y438-L442 HydrophobicContact CE2-CD2 4.22Å; Y438-L442 HydrophobicContact CE2-CG 3.83Å; Y438-L442 WeakPolarHBondContact O-CG 3.44Å; Y438-L442 PolarHBondContact O-N 2.74Å; A439-L442 PolarHBondContact O-N 3.07Å; A439-L442 VanDerWaalsContact O-N 3.15Å; K440-L442 VanDerWaalsContact C-N 3.3Å; K440-L442 PolarHBondContact O-N 2.56Å; L442-V459 HydrophobicContact CD2-CB 4.04Å; L442-V459 HydrophobicContact CD2-CG2 4.11Å; L442-Y461 HydrophobicContact CD2-CE2 3.99Å; L442-Y461 WeakPolarHBondContact CD2-OH 3.31Å; L442-N469 PolarHBondContact O-ND2 3.33Å
443	L	97.9	Very high	95.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-72.2	-54	177.5	-178	62.8	0	0	0	111.6	M248 V249 N252 Y254 A439 K440 F452 N469 F545	M248-L443 WeakPolarHBondContact O-CD1 3.42Å; V249-L443 HydrophobicContact CB-CD2 4.45Å; V249-L443 HydrophobicContact CG1-CD2 4.34Å; V249-L443 HydrophobicContact CG2-CD2 4.11Å; V249-L443 HydrophobicContact CG2-CG 4.47Å; N252-L443 WeakPolarHBondContact O-CD1 3.43Å; Y254-L443 HydrophobicContact CD1-CB 3.72Å; Y254-L443 HydrophobicContact CD1-CD1 4.08Å; Y254-L443 HydrophobicContact CD1-CG 4.41Å; Y254-L443 HydrophobicContact CE1-CB 4.15Å; A439-L443 PolarHBondContact O-N 2.92Å; K440-L443 PolarHBondContact O-N 3.28Å; L443-F452 WeakPolarHBondContact O-CE1 3.31Å; L443-N469 PolarHBondContact O-ND2 2.76Å; L443-F545 HydrophobicContact CD2-CE2 3.7Å; L443-F545 HydrophobicContact CD2-CZ 3.59Å
444	H	97.4	Very high	96.2	Very high	17 Å²	17	17.1 Å²	17.1	8%	0.079	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-14	-170.8	56.3	73.2	0	0	0	114.7	M248 V249 K440 N446 C447 F452 A540	M248-H444 HydrophobicContact CE-CB 3.66Å; M248-H444 HydrophobicContact CG-CB 3.61Å; M248-H444 HydrophobicContact SD-CB 3.41Å; M248-H444 WeakPolarHBondContact SD-CB 3.42Å; V249-H444 HydrophobicContact CG2-CB 4.43Å; K440-H444 WeakPolarHBondContact CB-NE2 3.42Å; K440-H444 PolarHBondContact O-CD2 3.23Å; K440-H444 PolarHBondContact O-CE1 2.95Å; K440-H444 PolarHBondContact O-N 3.05Å; K440-H444 PolarHBondContact O-ND1 2.98Å; K440-H444 PolarHBondContact O-NE2 3.47Å; H444-N446 PolarHBondContact O-N 2.95Å; H444-C447 WeakPolarHBondContact O-CA 3.48Å; H444-C447 PolarHBondContact O-N 3.44Å; H444-F452 WeakPolarHBondContact O-CZ 3.36Å; H444-A540 HydrophobicContact CB-CB 4.21Å
445	G	96.5	Very high	96.7	Very high	10 Å²	10	17.1 Å²	17.1	10%	0.103	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	-137.9	-178.4	0	0	0	0	0	111.7	K440 S441 C447	K440-G445 PolarHBondContact O-N 3.01Å; S441-G445 WeakPolarHBondContact O-CA 3.42Å; S441-G445 PolarHBondContact O-N 2.97Å; S441-G445 VanDerWaalsContact O-N 3.12Å; G445-C447 VanDerWaalsContact C-N 3.26Å; G445-C447 PolarHBondContact O-N 2.9Å
446	N	97	Very high	97.1	Very high	59 Å²	59	16.8 Å²	16.8	32%	0.316	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	18	172.9	-64.4	-62.8	0	0	0	112.9	H444 Y448 D449	H444-N446 PolarHBondContact O-N 2.95Å; N446-Y448 HydrophobicContact CB-CD1 4.24Å; N446-Y448 HydrophobicContact CB-CE1 3.73Å; N446-Y448 HydrophobicContact CB-CE2 4.09Å; N446-Y448 WeakPolarHBondContact O-CD1 3.43Å; N446-Y448 WeakPolarHBondContact O-CE1 3.21Å; N446-Y448 PolarHBondContact O-N 3.42Å; N446-D449 PolarHBondContact N-OD1 2.8Å; N446-D449 PolarHBondContact N-OD2 3.43Å; N446-D449 PolarHBondContact ND2-OD2 2.84Å
447	C	98.3	Very high	97.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	7%	0.074	C	C	.	.	S	Bend	trans	64.1	-2.2	-175.3	-54.2	0	0	0	0	115.9	M248 A381 A384 H444 G445 L533 A536 A540	M248-C447 HydrophobicContact SD-CB 4.27Å; A381-C447 VanDerWaalsContact CA-O 3.29Å; A381-C447 WeakPolarHBondContact CA-O 3.48Å; A384-C447 WeakPolarHBondContact CB-O 3.27Å; H444-C447 WeakPolarHBondContact O-CA 3.48Å; H444-C447 PolarHBondContact O-N 3.44Å; G445-C447 VanDerWaalsContact C-N 3.26Å; G445-C447 PolarHBondContact O-N 2.9Å; C447-L533 HydrophobicContact CB-CD1 3.78Å; C447-A536 HydrophobicContact CB-CB 3.75Å; C447-A540 VanDerWaalsContact SG-CB 3.57Å
448	Y	97.4	Very high	97.5	Very high	59 Å²	59	10.6 Å²	10.6	23%	0.231	5%	0.052	C	C	.	.	S	Bend	trans	-136.3	-7.5	179.4	58.7	-106.3	0	0	0	115	Y336 A377 K378 G380 N446 L533	Y336-Y448 WeakPolarHBondContact OH-CD2 3.45Å; Y336-Y448 WeakPolarHBondContact OH-CE2 3.47Å; A377-Y448 WeakPolarHBondContact O-CD2 3.19Å; K378-Y448 HydrophobicContact CB-CG 4.43Å; K378-Y448 HydrophobicContact CG-CD1 4.1Å; K378-Y448 HydrophobicContact CG-CE1 4.41Å; K378-Y448 HydrophobicContact CG-CG 4.23Å; G380-Y448 WeakPolarHBondContact CA-O 2.96Å; N446-Y448 HydrophobicContact CB-CD1 4.24Å; N446-Y448 HydrophobicContact CB-CE1 3.73Å; N446-Y448 HydrophobicContact CB-CE2 4.09Å; N446-Y448 WeakPolarHBondContact O-CD1 3.43Å; N446-Y448 WeakPolarHBondContact O-CE1 3.21Å; N446-Y448 PolarHBondContact O-N 3.42Å; Y448-L533 HydrophobicContact CD1-CD1 3.87Å; Y448-L533 HydrophobicContact CD1-CD2 4.29Å
449	D	96.8	Very high	97.7	Very high	4 Å²	4	10.3 Å²	10.3	2%	0.021	5%	0.051	C	C	.	.	S	Bend	trans	-100.3	10.3	-173.6	60.8	-10.9	0	0	0	113.1	Y336 A418 N446	Y336-D449 HydrophobicContact CD1-CB 4.02Å; Y336-D449 HydrophobicContact CE1-CB 3.35Å; A418-D449 WeakPolarHBondContact CB-O 3.48Å; N446-D449 PolarHBondContact N-OD1 2.8Å; N446-D449 PolarHBondContact N-OD2 3.43Å; N446-D449 PolarHBondContact ND2-OD2 2.84Å
450	R	97.1	Very high	97.8	Very high	1 Å²	1	10.3 Å²	10.3	0%	0.004	5%	0.051	C	C	.	.	S	Bend	trans	-124.5	161.5	171.6	-48.9	-63.1	177.9	-105.5	-2	109.1	D420 S441 F452 V459	D420-R450 IonicContact OD2-CZ 3.44Å; D420-R450 IonicContact OD2-NH1 3.04Å; D420-R450 PolarHBondContact OD2-NH1 3.36Å; D420-R450 VanDerWaalsContact OD2-NH1 3.13Å; D420-R450 IonicContact OD2-NH2 3.98Å; D420-R450 PolarHBondContact OD2-NH2 3.36Å; S441-R450 PolarHBondContact O-NH2 2.92Å; S441-R450 VanDerWaalsContact O-NH2 3.11Å; R450-F452 HydrophobicContact CB-CD1 4.24Å; R450-F452 HydrophobicContact CB-CD2 4.39Å; R450-F452 HydrophobicContact CB-CE1 3.74Å; R450-F452 HydrophobicContact CB-CE2 3.92Å; R450-F452 HydrophobicContact CB-CZ 3.58Å; R450-F452 HydrophobicContact CG-CE1 3.99Å; R450-F452 HydrophobicContact CG-CZ 3.8Å; R450-V459 VanDerWaalsContact NE-CG2 3.34Å
451	W	98.4	Very high	97.9	Very high	3 Å²	3	7.9 Å²	7.9	1%	0.011	4%	0.04	C	C	.	.			trans	-112.1	88.4	168.9	-157.5	-89.1	0	0	0	109	Y341 T383 W390 L407 I410 F416 D453 K454 T457	Y341-W451 HydrophobicContact CE1-CE3 4.07Å; Y341-W451 HydrophobicContact CE1-CZ3 4.04Å; T383-W451 HydrophobicContact CG2-CD2 3.87Å; T383-W451 HydrophobicContact CG2-CE3 4.2Å; T383-W451 HydrophobicContact CG2-CG 4.4Å; T383-W451 HydrophobicContact CG2-CH2 4.13Å; T383-W451 HydrophobicContact CG2-CZ2 3.77Å; T383-W451 HydrophobicContact CG2-CZ3 4.34Å; W390-W451 HydrophobicContact CZ2-CZ2 4.25Å; L407-W451 HydrophobicContact CD1-CH2 3.83Å; L407-W451 HydrophobicContact CD1-CZ2 3.43Å; L407-W451 VanDerWaalsContact CD1-CZ2 3.43Å; I410-W451 HydrophobicContact CD1-CE3 4.13Å; I410-W451 HydrophobicContact CD1-CH2 4.02Å; I410-W451 HydrophobicContact CD1-CZ3 3.8Å; I410-W451 HydrophobicContact CG2-CD2 3.55Å; I410-W451 HydrophobicContact CG2-CE3 4.08Å; I410-W451 HydrophobicContact CG2-CG 3.77Å; I410-W451 HydrophobicContact CG2-CZ2 4.1Å; F416-W451 HydrophobicContact CB-CB 4.32Å; F416-W451 HydrophobicContact CD1-CB 3.86Å; F416-W451 HydrophobicContact CD2-CB 3.69Å; F416-W451 HydrophobicContact CD2-CG 4.28Å; F416-W451 HydrophobicContact CE1-CB 4Å; F416-W451 HydrophobicContact CE2-CB 3.82Å; F416-W451 HydrophobicContact CE2-CD2 4.48Å; F416-W451 HydrophobicContact CE2-CE3 4.31Å; F416-W451 HydrophobicContact CE2-CG 4.32Å; F416-W451 HydrophobicContact CG-CB 3.7Å; F416-W451 HydrophobicContact CZ-CB 3.96Å; F416-W451 HydrophobicContact CZ-CE3 4.49Å; W451-D453 PolarHBondContact O-N 3.46Å; W451-D453 VanDerWaalsContact O-N 3.13Å; W451-K454 HydrophobicContact CB-CB 4.36Å; W451-K454 VanDerWaalsContact O-CB 3.32Å; W451-K454 WeakPolarHBondContact O-CB 3.32Å; W451-K454 PolarHBondContact O-N 2.87Å; W451-T457 PolarHBondContact O-OG1 3.47Å
452	F	98.6	Very high	97.9	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-20.5	-168.6	-65.3	-70.9	0	0	0	113.9	I247 M248 N252 T383 A384 L443 H444 R450 K454	I247-F452 HydrophobicContact CD1-CB 4.31Å; I247-F452 HydrophobicContact CG1-CB 4.33Å; M248-F452 HydrophobicContact CB-CD1 3.99Å; M248-F452 HydrophobicContact CB-CD2 4.27Å; M248-F452 HydrophobicContact CB-CE1 4.04Å; M248-F452 HydrophobicContact CB-CE2 4.3Å; M248-F452 HydrophobicContact CB-CG 4.11Å; M248-F452 HydrophobicContact CB-CZ 4.18Å; M248-F452 HydrophobicContact CG-CD1 3.94Å; M248-F452 HydrophobicContact CG-CD2 4.42Å; M248-F452 HydrophobicContact CG-CE1 3.46Å; M248-F452 VanDerWaalsContact CG-CE1 3.46Å; M248-F452 HydrophobicContact CG-CE2 3.98Å; M248-F452 HydrophobicContact CG-CG 4.39Å; M248-F452 HydrophobicContact CG-CZ 3.47Å; M248-F452 VanDerWaalsContact CG-CZ 3.47Å; M248-F452 HydrophobicContact SD-CE1 4.13Å; M248-F452 HydrophobicContact SD-CE2 3.72Å; M248-F452 HydrophobicContact SD-CZ 3.47Å; M248-F452 WeakPolarHBondContact SD-CZ 3.29Å; N252-F452 PolarHBondContact ND2-O 3.13Å; T383-F452 PolarHBondContact OG1-N 2.91Å; A384-F452 HydrophobicContact CB-CD2 3.6Å; A384-F452 HydrophobicContact CB-CE2 3.5Å; L443-F452 WeakPolarHBondContact O-CE1 3.31Å; H444-F452 WeakPolarHBondContact O-CZ 3.36Å; R450-F452 HydrophobicContact CB-CD1 4.24Å; R450-F452 HydrophobicContact CB-CD2 4.39Å; R450-F452 HydrophobicContact CB-CE1 3.74Å; R450-F452 HydrophobicContact CB-CE2 3.92Å; R450-F452 HydrophobicContact CB-CZ 3.58Å; R450-F452 HydrophobicContact CG-CE1 3.99Å; R450-F452 HydrophobicContact CG-CZ 3.8Å; F452-K454 VanDerWaalsContact C-N 3.33Å
453	D	98.7	Very high	97.8	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-17.4	174.7	-73.9	-21.6	0	0	0	113.5	I247 T314 R315 R387 W390 W451	I247-D453 WeakPolarHBondContact CD1-OD1 3.09Å; T314-D453 CarbonylContact C-O 3.59Å; T314-D453 WeakPolarHBondContact CA-O 3.4Å; T314-D453 HydrophobicContact CG2-CB 3.93Å; T314-D453 WeakPolarHBondContact CG2-O 3.3Å; R315-D453 HydrophobicContact CB-CB 4.48Å; R315-D453 PolarHBondContact N-O 3.42Å; R315-D453 VanDerWaalsContact O-CB 3.26Å; R315-D453 WeakPolarHBondContact O-CB 3.45Å; R387-D453 IonicContact CZ-OD1 3.32Å; R387-D453 IonicContact NH1-OD1 3.53Å; R387-D453 PolarHBondContact NH1-OD1 2.83Å; R387-D453 IonicContact NH2-OD1 2.78Å; R387-D453 PolarHBondContact NH2-OD1 3.33Å; R387-D453 IonicContact NH2-OD2 3.23Å; W390-D453 PolarHBondContact NE1-OD2 3.48Å; W451-D453 PolarHBondContact O-N 3.46Å; W451-D453 VanDerWaalsContact O-N 3.13Å
454	K	98.7	Very high	97.7	Very high	1 Å²	1	14.8 Å²	14.8	0%	0.004	7%	0.071	C	C	.	.	B	Isolated β-bridge	trans	-71.6	143.5	-178.8	-162.5	73.8	-171.8	174.3	0	109.7	T314 I410 E411 A413 F416 W451 F452 F456 E471	T314-K454 WeakPolarHBondContact OG1-CD 3.46Å; T314-K454 PolarHBondContact OG1-NZ 3.45Å; I410-K454 PolarHBondContact O-NZ 2.79Å; E411-K454 PolarHBondContact O-NZ 3.18Å; A413-K454 WeakPolarHBondContact O-CE 3.36Å; A413-K454 PolarHBondContact O-NZ 2.88Å; F416-K454 HydrophobicContact CB-CB 4.12Å; F416-K454 HydrophobicContact CB-CD 4.48Å; F416-K454 HydrophobicContact CB-CG 3.87Å; W451-K454 HydrophobicContact CB-CB 4.36Å; W451-K454 VanDerWaalsContact O-CB 3.32Å; W451-K454 WeakPolarHBondContact O-CB 3.32Å; W451-K454 PolarHBondContact O-N 2.87Å; F452-K454 VanDerWaalsContact C-N 3.33Å; K454-F456 WeakPolarHBondContact CG-O 3.45Å; K454-F456 PolarHBondContact O-N 2.68Å; K454-E471 WeakPolarHBondContact O-CB 3.45Å
455	S	98	Very high	97.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	-47.4	-42.1	176	55.5	0	0	0	0	112.9	I310 T313 A470 E471 W474	I310-S455 WeakPolarHBondContact O-CB 3.49Å; I310-S455 PolarHBondContact O-OG 3.1Å; T313-S455 WeakPolarHBondContact O-CB 3.42Å; T313-S455 PolarHBondContact O-N 3.5Å; T313-S455 PolarHBondContact O-OG 2.98Å; S455-A470 WeakPolarHBondContact O-CA 3.42Å; S455-E471 PolarHBondContact O-N 3.44Å; S455-E471 VanDerWaalsContact O-N 3.17Å; S455-W474 PolarHBondContact O-NE1 3.11Å
456	F	98.6	Very high	97.5	Very high	1 Å²	1	13.9 Å²	13.9	0%	0.004	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	151.7	163	65	-81.4	0	0	0	112.9	F278 I310 Y311 F415 F416 K454 V458 I468 N469 A470	F278-F456 HydrophobicContact CD1-CE2 4.06Å; F278-F456 HydrophobicContact CD1-CZ 4.12Å; F278-F456 AromaticContact CE1-CE2 3.68Å; F278-F456 HydrophobicContact CE1-CE2 3.68Å; F278-F456 HydrophobicContact CE1-CZ 4.1Å; F278-F456 HydrophobicContact CZ-CE2 4.13Å; I310-F456 HydrophobicContact CG2-CD1 4.42Å; I310-F456 HydrophobicContact CG2-CE1 3.81Å; I310-F456 WeakPolarHBondContact O-CD1 3.37Å; I310-F456 VanDerWaalsContact O-CE1 3.25Å; I310-F456 WeakPolarHBondContact O-CE1 3.28Å; Y311-F456 HydrophobicContact CD1-CE1 4.08Å; Y311-F456 AromaticContact CD1-CZ 3.92Å; Y311-F456 HydrophobicContact CD1-CZ 3.92Å; Y311-F456 HydrophobicContact CE1-CE1 4.17Å; Y311-F456 AromaticContact CE1-CZ 3.67Å; Y311-F456 HydrophobicContact CE1-CZ 3.67Å; F415-F456 HydrophobicContact CB-CD1 4.39Å; F415-F456 HydrophobicContact CB-CD2 4Å; F415-F456 HydrophobicContact CB-CE1 3.85Å; F415-F456 HydrophobicContact CB-CE2 3.43Å; F415-F456 VanDerWaalsContact CB-CE2 3.43Å; F415-F456 HydrophobicContact CB-CG 4.45Å; F415-F456 HydrophobicContact CB-CZ 3.35Å; F415-F456 HydrophobicContact CD1-CE2 4.19Å; F415-F456 AromaticContact CD1-CZ 3.89Å; F415-F456 HydrophobicContact CD1-CZ 3.89Å; F415-F456 AromaticContact CD2-CE2 3.92Å; F415-F456 HydrophobicContact CD2-CE2 3.92Å; F415-F456 HydrophobicContact CD2-CZ 4.42Å; F415-F456 AromaticContact CG-CE2 3.61Å; F415-F456 HydrophobicContact CG-CE2 3.61Å; F415-F456 AromaticContact CG-CZ 3.67Å; F415-F456 HydrophobicContact CG-CZ 3.67Å; F416-F456 PolarHBondContact N-O 2.92Å; K454-F456 WeakPolarHBondContact CG-O 3.45Å; K454-F456 PolarHBondContact O-N 2.68Å; F456-V458 HydrophobicContact CD2-CG2 3.81Å; F456-V458 HydrophobicContact CE2-CG2 3.76Å; F456-I468 HydrophobicContact CB-CD1 3.88Å; F456-I468 HydrophobicContact CB-CG1 3.94Å; F456-I468 HydrophobicContact CD2-CD1 3.57Å; F456-I468 HydrophobicContact CD2-CG1 4.12Å; F456-I468 HydrophobicContact CE2-CD1 4.34Å; F456-I468 HydrophobicContact CG-CD1 3.93Å; F456-I468 HydrophobicContact CG-CG1 4.43Å; F456-N469 CarbonylContact C-O 3.59Å; F456-N469 WeakPolarHBondContact CA-O 3.46Å; F456-N469 WeakPolarHBondContact CB-O 3.2Å; F456-A470 HydrophobicContact CB-CB 4.38Å
457	T	98.6	Very high	97.5	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.006	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.5	168.9	-67.8	0	0	0	0	109	F416 A418 W451 V459 I468 N469	F416-T457 HydrophobicContact CD1-CG2 3.76Å; F416-T457 CarbonylContact O-C 3.41Å; F416-T457 WeakPolarHBondContact O-CA 3.37Å; A418-T457 HydrophobicContact CB-CG2 4.16Å; W451-T457 PolarHBondContact O-OG1 3.47Å; T457-V459 HydrophobicContact CG2-CG2 4.23Å; T457-I468 WeakPolarHBondContact O-CA 3.3Å; T457-N469 PolarHBondContact N-O 2.92Å; T457-N469 PolarHBondContact O-N 3.25Å
458	V	98.8	Very high	97.5	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.5	170.7	-167.9	0	0	0	0	108.9	F278 F415 F416 V417 A418 F456 Y460 G467 W484	F278-V458 HydrophobicContact CD2-CG2 4.45Å; F278-V458 HydrophobicContact CE1-CG2 4.46Å; F278-V458 HydrophobicContact CE2-CB 4.5Å; F278-V458 HydrophobicContact CE2-CG1 4.17Å; F278-V458 HydrophobicContact CE2-CG2 3.61Å; F278-V458 HydrophobicContact CZ-CG2 3.61Å; F415-V458 HydrophobicContact CD2-CG2 3.93Å; F415-V458 HydrophobicContact CE2-CG2 4.07Å; F416-V458 PolarHBondContact O-N 2.88Å; V417-V458 CarbonylContact C-O 3.54Å; V417-V458 WeakPolarHBondContact CA-O 3.26Å; A418-V458 PolarHBondContact N-O 2.78Å; F456-V458 HydrophobicContact CD2-CG2 3.81Å; F456-V458 HydrophobicContact CE2-CG2 3.76Å; V458-Y460 HydrophobicContact CB-CE2 4.18Å; V458-Y460 HydrophobicContact CG1-CE1 3.98Å; V458-Y460 HydrophobicContact CG1-CE2 3.8Å; V458-Y460 VanDerWaalsContact CG1-CZ 3.45Å; V458-Y460 WeakPolarHBondContact CG1-OH 3.43Å; V458-G467 WeakPolarHBondContact CA-O 3.39Å; V458-W484 HydrophobicContact CG1-CH2 4.45Å; V458-W484 HydrophobicContact CG1-CZ3 4.22Å
459	V	98.7	Very high	97.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130.1	-179.5	-172.1	0	0	0	0	108.5	A418 D420 L442 R450 T457 Y461 S466 G467	A418-V459 HydrophobicContact CB-CG1 4.5Å; A418-V459 HydrophobicContact CB-CG2 4.41Å; A418-V459 WeakPolarHBondContact O-CA 3.42Å; D420-V459 HydrophobicContact CB-CG1 4.21Å; L442-V459 HydrophobicContact CD2-CB 4.04Å; L442-V459 HydrophobicContact CD2-CG2 4.11Å; R450-V459 VanDerWaalsContact NE-CG2 3.34Å; T457-V459 HydrophobicContact CG2-CG2 4.23Å; V459-Y461 HydrophobicContact CB-CE2 4.32Å; V459-Y461 HydrophobicContact CG1-CD2 4.38Å; V459-Y461 HydrophobicContact CG1-CE1 4.02Å; V459-Y461 HydrophobicContact CG1-CE2 3.77Å; V459-S466 CarbonylContact O-C 3.57Å; V459-S466 VanDerWaalsContact O-C 3.31Å; V459-S466 WeakPolarHBondContact O-CA 3.46Å; V459-S466 WeakPolarHBondContact O-CB 3.29Å; V459-G467 PolarHBondContact N-O 3.4Å; V459-G467 PolarHBondContact O-N 3.44Å
460	Y	98.6	Very high	97.6	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.1	171.6	-58.8	-76.7	0	0	0	108.8	Q267 R270 A271 T274 I275 V417 A418 L419 D420 V458	Q267-Y460 PolarHBondContact NE2-O 3.15Å; R270-Y460 HydrophobicContact CB-CD1 4.45Å; R270-Y460 HydrophobicContact CG-CD1 3.89Å; R270-Y460 HydrophobicContact CG-CE1 4.24Å; A271-Y460 HydrophobicContact CB-CD1 4.23Å; A271-Y460 HydrophobicContact CB-CD2 3.91Å; A271-Y460 HydrophobicContact CB-CE1 4.27Å; A271-Y460 HydrophobicContact CB-CE2 3.92Å; A271-Y460 HydrophobicContact CB-CG 4.06Å; T274-Y460 HydrophobicContact CG2-CE1 4.42Å; T274-Y460 WeakPolarHBondContact OG1-CE1 3.46Å; T274-Y460 PolarHBondContact OG1-OH 3.04Å; I275-Y460 HydrophobicContact CD1-CE2 4.43Å; I275-Y460 HydrophobicContact CG1-CE2 4.42Å; V417-Y460 HydrophobicContact CG1-CD2 3.66Å; V417-Y460 HydrophobicContact CG1-CE2 3.63Å; V417-Y460 HydrophobicContact CG2-CE2 4.31Å; A418-Y460 PolarHBondContact O-N 2.68Å; L419-Y460 HydrophobicContact CD2-CD2 3.99Å; L419-Y460 HydrophobicContact CD2-CG 4.47Å; D420-Y460 PolarHBondContact N-O 3.19Å; V458-Y460 HydrophobicContact CB-CE2 4.18Å; V458-Y460 HydrophobicContact CG1-CE1 3.98Å; V458-Y460 HydrophobicContact CG1-CE2 3.8Å; V458-Y460 VanDerWaalsContact CG1-CZ 3.45Å; V458-Y460 WeakPolarHBondContact CG1-OH 3.43Å
461	Y	98	Very high	97.6	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.038	C	C	.	.			trans	-87.9	158.9	177.6	-65	-77.2	0	0	0	110.9	Q267 D420 D422 R424 Y438 S441 L442 V459 N463 G464 K465	Q267-Y461 WeakPolarHBondContact CG-O 3.39Å; D420-Y461 HydrophobicContact CB-CD1 3.86Å; D420-Y461 HydrophobicContact CB-CE1 4.1Å; D422-Y461 HydrophobicContact CB-CD1 4.45Å; D422-Y461 WeakPolarHBondContact O-CB 3.29Å; D422-Y461 WeakPolarHBondContact O-CD1 3.4Å; R424-Y461 HydrophobicContact CB-CD1 3.78Å; R424-Y461 HydrophobicContact CB-CD2 4.06Å; R424-Y461 HydrophobicContact CB-CE1 3.81Å; R424-Y461 HydrophobicContact CB-CE2 4.11Å; R424-Y461 HydrophobicContact CB-CG 3.89Å; R424-Y461 HydrophobicContact CG-CD1 3.43Å; R424-Y461 VanDerWaalsContact CG-CD1 3.43Å; R424-Y461 HydrophobicContact CG-CE1 3.21Å; R424-Y461 HydrophobicContact CG-CE2 4.37Å; R424-Y461 HydrophobicContact CG-CG 4.09Å; Y438-Y461 HydrophobicContact CD2-CE2 4.01Å; Y438-Y461 HydrophobicContact CE2-CD2 4.17Å; Y438-Y461 AromaticContact CE2-CE2 3.55Å; Y438-Y461 HydrophobicContact CE2-CE2 3.55Å; S441-Y461 WeakPolarHBondContact CB-OH 3.44Å; S441-Y461 VanDerWaalsContact OG-CE1 3.32Å; S441-Y461 WeakPolarHBondContact OG-CE1 3.45Å; S441-Y461 PolarHBondContact OG-OH 3.08Å; L442-Y461 HydrophobicContact CD2-CE2 3.99Å; L442-Y461 WeakPolarHBondContact CD2-OH 3.31Å; V459-Y461 HydrophobicContact CB-CE2 4.32Å; V459-Y461 HydrophobicContact CG1-CD2 4.38Å; V459-Y461 HydrophobicContact CG1-CE1 4.02Å; V459-Y461 HydrophobicContact CG1-CE2 3.77Å; Y461-N463 WeakPolarHBondContact CB-OD1 3.36Å; Y461-N463 PolarHBondContact O-N 2.86Å; Y461-G464 PolarHBondContact O-N 3.06Å; Y461-K465 HydrophobicContact CD2-CB 4.2Å; Y461-K465 WeakPolarHBondContact CD2-O 3.22Å; Y461-K465 PolarHBondContact N-O 2.79Å
462	K	96.8	Very high	97.6	Very high	117 Å²	117	10.4 Å²	10.4	51%	0.509	5%	0.048	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-33.2	-175.6	-176.2	-177.1	176.9	-166.5	0	113.4	D420 D421 D422 E423 G464	D420-K462 PolarHBondContact O-N 3.41Å; D421-K462 WeakPolarHBondContact O-CD 3.45Å; D422-K462 PolarHBondContact O-N 2.94Å; E423-K462 HydrophobicContact CG-CB 4.04Å; E423-K462 HydrophobicContact CG-CD 4.46Å; K462-G464 VanDerWaalsContact C-N 3.26Å; K462-G464 PolarHBondContact O-N 3.28Å
463	N	94.6	Very high	97.5	Very high	37 Å²	37	10.4 Å²	10.4	20%	0.198	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	11.3	177.7	67.9	-9.8	0	0	0	114.3	T262 P265 E423 R424 Y461 K465	T262-N463 WeakPolarHBondContact CG2-O 3.32Å; P265-N463 WeakPolarHBondContact CA-O 3.33Å; P265-N463 CarbonylContact O-C 3.58Å; E423-N463 HydrophobicContact CB-CB 4.2Å; E423-N463 HydrophobicContact CG-CB 3.9Å; R424-N463 PolarHBondContact O-ND2 3.1Å; Y461-N463 WeakPolarHBondContact CB-OD1 3.36Å; Y461-N463 PolarHBondContact O-N 2.86Å; N463-K465 VanDerWaalsContact C-N 3.29Å; N463-K465 PolarHBondContact O-N 2.93Å; N463-K465 WeakPolarHBondContact OD1-CB 3.28Å; N463-K465 PolarHBondContact OD1-N 2.94Å
464	G	95.4	Very high	97.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.048	C	C	.	.	S	Bend	trans	78.4	2.4	179.1	0	0	0	0	0	115.3	T264 P265 R270 Y461 K462	T264-G464 WeakPolarHBondContact O-CA 2.98Å; P265-G464 PolarHBondContact O-N 2.86Å; R270-G464 WeakPolarHBondContact CD-O 3.39Å; R270-G464 WeakPolarHBondContact CG-O 3.42Å; R270-G464 PolarHBondContact NE-O 3.13Å; Y461-G464 PolarHBondContact O-N 3.06Å; K462-G464 VanDerWaalsContact C-N 3.26Å; K462-G464 PolarHBondContact O-N 3.28Å
465	K	94.9	Very high	97.1	Very high	8 Å²	8	10.4 Å²	10.4	4%	0.035	5%	0.048	C	C	.	.			trans	-68.1	150.5	164.3	-73.6	-62.9	-162.2	-176.1	0	110	F258 V261 T262 R424 Y461 N463	F258-K465 PolarHBondContact O-NZ 2.66Å; V261-K465 PolarHBondContact O-NZ 2.8Å; T262-K465 HydrophobicContact CG2-CD 4.26Å; T262-K465 WeakPolarHBondContact OG1-CD 3.39Å; T262-K465 WeakPolarHBondContact OG1-CE 3.48Å; T262-K465 PolarHBondContact OG1-NZ 2.76Å; T262-K465 VanDerWaalsContact OG1-NZ 3.13Å; R424-K465 WeakPolarHBondContact O-CG 3.44Å; Y461-K465 HydrophobicContact CD2-CB 4.2Å; Y461-K465 WeakPolarHBondContact CD2-O 3.22Å; Y461-K465 PolarHBondContact N-O 2.79Å; N463-K465 VanDerWaalsContact C-N 3.29Å; N463-K465 PolarHBondContact O-N 2.93Å; N463-K465 WeakPolarHBondContact OD1-CB 3.28Å; N463-K465 PolarHBondContact OD1-N 2.94Å
466	S	96.3	Very high	96.9	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	-174.7	177.7	65.4	0	0	0	0	112.7	D257 Y438 V459	D257-S466 WeakPolarHBondContact CB-O 3.39Å; D257-S466 PolarHBondContact OD2-N 2.94Å; D257-S466 PolarHBondContact OD2-OG 3.03Å; Y438-S466 PolarHBondContact OH-O 3.05Å; V459-S466 CarbonylContact O-C 3.57Å; V459-S466 VanDerWaalsContact O-C 3.31Å; V459-S466 WeakPolarHBondContact O-CA 3.46Å; V459-S466 WeakPolarHBondContact O-CB 3.29Å
467	G	97	Very high	96.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.1	176.5	172.9	0	0	0	0	0	110.8	G255 V458 V459	G255-G467 WeakPolarHBondContact O-CA 3.36Å; V458-G467 WeakPolarHBondContact CA-O 3.39Å; V459-G467 PolarHBondContact N-O 3.4Å; V459-G467 PolarHBondContact O-N 3.44Å
468	I	97.3	Very high	96.4	Very high	4 Å²	4	13.6 Å²	13.6	2%	0.021	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.6	-175.4	-166.3	160.2	0	0	0	111	Y254 G255 F456 T457 V480 W484	Y254-I468 CarbonylContact C-O 3.45Å; Y254-I468 WeakPolarHBondContact CA-O 3.47Å; Y254-I468 WeakPolarHBondContact CB-O 3.45Å; G255-I468 PolarHBondContact N-O 3.36Å; G255-I468 PolarHBondContact O-N 3.07Å; F456-I468 HydrophobicContact CB-CD1 3.88Å; F456-I468 HydrophobicContact CB-CG1 3.94Å; F456-I468 HydrophobicContact CD2-CD1 3.57Å; F456-I468 HydrophobicContact CD2-CG1 4.12Å; F456-I468 HydrophobicContact CE2-CD1 4.34Å; F456-I468 HydrophobicContact CG-CD1 3.93Å; F456-I468 HydrophobicContact CG-CG1 4.43Å; T457-I468 WeakPolarHBondContact O-CA 3.3Å; I468-V480 HydrophobicContact CD1-CG1 3.61Å; I468-V480 HydrophobicContact CG1-CG1 4.25Å; I468-V480 HydrophobicContact CG2-CG1 4.24Å; I468-W484 HydrophobicContact CB-CE3 4.4Å; I468-W484 HydrophobicContact CD1-CE3 4.44Å; I468-W484 HydrophobicContact CG2-CD2 4.31Å; I468-W484 HydrophobicContact CG2-CG 4.46Å
469	N	98.3	Very high	96.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.3	165.3	-176.6	-84.5	0	0	0	107.7	N252 L442 L443 F456 T457	N252-N469 PolarHBondContact ND2-OD1 3.24Å; L442-N469 PolarHBondContact O-ND2 3.33Å; L443-N469 PolarHBondContact O-ND2 2.76Å; F456-N469 CarbonylContact C-O 3.59Å; F456-N469 WeakPolarHBondContact CA-O 3.46Å; F456-N469 WeakPolarHBondContact CB-O 3.2Å; T457-N469 PolarHBondContact N-O 2.92Å; T457-N469 PolarHBondContact O-N 3.25Å
470	A	98.1	Very high	96	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.008	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.1	-176	0	0	0	0	0	112.2	N252 Y253 S455 F456 V480	N252-A470 VanDerWaalsContact CA-O 3.27Å; N252-A470 WeakPolarHBondContact CA-O 3.34Å; N252-A470 WeakPolarHBondContact CB-O 3.29Å; Y253-A470 HydrophobicContact CD2-CB 4.13Å; Y253-A470 HydrophobicContact CE1-CB 4.12Å; Y253-A470 HydrophobicContact CE2-CB 3.61Å; Y253-A470 PolarHBondContact N-O 3.17Å; Y253-A470 VanDerWaalsContact N-O 3.13Å; Y253-A470 PolarHBondContact O-N 3.05Å; S455-A470 WeakPolarHBondContact O-CA 3.42Å; F456-A470 HydrophobicContact CB-CB 4.38Å; A470-V480 HydrophobicContact CB-CG1 4.34Å; A470-V480 HydrophobicContact CB-CG2 4.08Å
471	E	97.9	Very high	95.7	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.08	C	C	.	.			trans	-75.5	134.6	170.3	-164.2	-72.5	138.9	0	0	109.2	I247 R315 K454 S455 S473 W474	I247-E471 HydrophobicContact CD1-CG 4.27Å; R315-E471 HydrophobicContact CB-CG 4.26Å; R315-E471 VanDerWaalsContact CD-OE1 3.32Å; R315-E471 WeakPolarHBondContact CD-OE1 3.45Å; R315-E471 IonicContact NH1-OE1 3Å; R315-E471 PolarHBondContact NH1-OE1 3.05Å; R315-E471 VanDerWaalsContact NH1-OE1 3.14Å; K454-E471 WeakPolarHBondContact O-CB 3.45Å; S455-E471 PolarHBondContact O-N 3.44Å; S455-E471 VanDerWaalsContact O-N 3.17Å; E471-S473 VanDerWaalsContact CD-N 3.35Å; E471-S473 WeakPolarHBondContact OE1-CB 3.43Å; E471-S473 PolarHBondContact OE1-N 2.65Å; E471-S473 PolarHBondContact OE1-OG 3.2Å; E471-S473 WeakPolarHBondContact OE2-CB 3.43Å; E471-S473 PolarHBondContact OE2-N 3.37Å; E471-S473 VanDerWaalsContact OE2-N 3.09Å; E471-S473 PolarHBondContact OE2-OG 3.42Å; E471-W474 PolarHBondContact O-NE1 3.1Å
472	H	97.2	Very high	95.5	Very high	46 Å²	46	16.2 Å²	16.2	21%	0.213	9%	0.086	C	C	.	.	S	Bend	trans	-92.6	-18.5	-163.5	-160.8	-9.1	0	0	0	114.8	Y240 S251 Y253 W474 A475 D476 R600	Y240-H472 HydrophobicContact CD1-CB 4.25Å; Y240-H472 HydrophobicContact CE1-CB 3.88Å; Y240-H472 AromaticContact CE1-CD2 3.98Å; Y240-H472 AromaticContact CE1-CG 3.69Å; S251-H472 VanDerWaalsContact O-CB 3.25Å; S251-H472 WeakPolarHBondContact O-CB 3.33Å; Y253-H472 HydrophobicContact CD1-CB 3.99Å; Y253-H472 AromaticContact CD1-CD2 3.84Å; Y253-H472 AromaticContact CD1-CG 3.77Å; Y253-H472 HydrophobicContact CE1-CB 3.91Å; Y253-H472 AromaticContact CE1-CG 3.66Å; Y253-H472 AromaticContact CE1-ND1 3.72Å; H472-W474 VanDerWaalsContact C-N 3.3Å; H472-W474 PolarHBondContact O-N 3.18Å; H472-A475 PolarHBondContact ND1-O 3.23Å; H472-A475 PolarHBondContact O-N 3.26Å; H472-A475 VanDerWaalsContact O-O 3.05Å; H472-D476 IonicContact CE1-OD1 2.84Å; H472-R600 PolarHBondContact O-NH2 3.43Å
473	S	96.2	Very high	95.5	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.062	C	C	.	.	S	Bend	trans	-60.3	-38	-174.3	72.3	0	0	0	0	112.7	V324 E471 R600	V324-S473 WeakPolarHBondContact CG2-OG 3.39Å; E471-S473 VanDerWaalsContact CD-N 3.35Å; E471-S473 WeakPolarHBondContact OE1-CB 3.43Å; E471-S473 PolarHBondContact OE1-N 2.65Å; E471-S473 PolarHBondContact OE1-OG 3.2Å; E471-S473 WeakPolarHBondContact OE2-CB 3.43Å; E471-S473 PolarHBondContact OE2-N 3.37Å; E471-S473 VanDerWaalsContact OE2-N 3.09Å; E471-S473 PolarHBondContact OE2-OG 3.42Å; S473-R600 PolarHBondContact O-NH1 3.38Å
474	W	94.4	Very high	95.5	Very high	3 Å²	3	9.4 Å²	9.4	1%	0.011	6%	0.055	C	C	.	.	S	Bend	trans	-84.1	-28.6	-175.3	71.5	-86.1	0	0	0	114.6	Q306 R309 I310 T313 V324 S455 E471 H472 V479 V480 R600	Q306-W474 WeakPolarHBondContact O-CZ3 3.33Å; R309-W474 HydrophobicContact CB-CB 4.33Å; R309-W474 HydrophobicContact CB-CD2 4.49Å; R309-W474 HydrophobicContact CB-CE3 3.9Å; I310-W474 HydrophobicContact CB-CH2 4.1Å; I310-W474 HydrophobicContact CB-CZ3 4.13Å; I310-W474 HydrophobicContact CG1-CH2 3.72Å; I310-W474 HydrophobicContact CG1-CZ3 3.58Å; I310-W474 HydrophobicContact CG2-CH2 4.4Å; T313-W474 HydrophobicContact CG2-CB 4.44Å; T313-W474 HydrophobicContact CG2-CG 4.47Å; V324-W474 HydrophobicContact CG1-CB 4.08Å; S455-W474 PolarHBondContact O-NE1 3.11Å; E471-W474 PolarHBondContact O-NE1 3.1Å; H472-W474 VanDerWaalsContact C-N 3.3Å; H472-W474 PolarHBondContact O-N 3.18Å; W474-V479 HydrophobicContact CH2-CG1 4.3Å; W474-V479 HydrophobicContact CZ3-CG1 4.1Å; W474-V480 HydrophobicContact CH2-CG2 3.85Å; W474-V480 HydrophobicContact CZ2-CG2 3.73Å; W474-R600 PolarHBondContact O-NH1 2.96Å
475	A	94.4	Very high	95.4	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.06	C	C	.	.			trans	-156	161.4	178.6	0	0	0	0	0	115.7	Y253 Q306 H472 V479 R600	Y253-A475 PolarHBondContact OH-O 3.05Å; Q306-A475 HydrophobicContact CB-CB 4.06Å; H472-A475 PolarHBondContact ND1-O 3.23Å; H472-A475 PolarHBondContact O-N 3.26Å; H472-A475 VanDerWaalsContact O-O 3.05Å; A475-V479 HydrophobicContact CB-CB 4.07Å; A475-V479 HydrophobicContact CB-CG1 4.26Å; A475-V479 HydrophobicContact CB-CG2 4.25Å; A475-R600 VanDerWaalsContact C-NH2 3.32Å; A475-R600 VanDerWaalsContact N-NH1 3.2Å; A475-R600 PolarHBondContact O-NH2 2.96Å
476	D	95	Very high	95.4	Very high	12 Å²	12	10.9 Å²	10.9	6%	0.064	6%	0.061	C	C	.	.			trans	-87.8	155.3	172.9	-51	-50.3	0	0	0	111.7	Q306 H472 P478 V479 R600	Q306-D476 PolarHBondContact NE2-OD2 2.96Å; Q306-D476 PolarHBondContact OE1-OD2 3.29Å; H472-D476 IonicContact CE1-OD1 2.84Å; D476-P478 VanDerWaalsContact C-N 3.33Å; D476-P478 VanDerWaalsContact O-N 3.1Å; D476-V479 WeakPolarHBondContact O-CB 3.46Å; D476-V479 PolarHBondContact O-N 3.45Å; D476-R600 IonicContact OD1-CZ 3.45Å; D476-R600 IonicContact OD1-NE 4Å; D476-R600 PolarHBondContact OD1-NE 3.15Å; D476-R600 IonicContact OD1-NH2 3.78Å; D476-R600 PolarHBondContact OD1-NH2 3.4Å; D476-R600 WeakPolarHBondContact OD2-CA 3.4Å; D476-R600 WeakPolarHBondContact OD2-CD 3.42Å; D476-R600 IonicContact OD2-CZ 2.85Å; D476-R600 IonicContact OD2-NE 3.5Å; D476-R600 PolarHBondContact OD2-NE 3.44Å
477	A	93.4	Very high	95.4	Very high	27 Å²	27	10.9 Å²	10.9	22%	0.223	6%	0.061	C	C	.	.	H	α-helix	trans	-48.6	-38.3	-175.7	0	0	0	0	0	115.9	Y253 V479 V480 A481	Y253-A477 HydrophobicContact CD2-CB 4.31Å; Y253-A477 HydrophobicContact CE2-CB 3.95Å; A477-V479 PolarHBondContact O-N 3.48Å; A477-V479 VanDerWaalsContact O-N 3.13Å; A477-V480 PolarHBondContact O-N 2.93Å; A477-A481 WeakPolarHBondContact O-CB 3.33Å; A477-A481 PolarHBondContact O-N 3.35Å
478	P	92.7	Very high	95.2	Very high	29 Å²	29	11 Å²	11	19%	0.188	6%	0.062	C	C	.	.	H	α-helix	trans	-57.4	-29.4	178	-27.9	36.5	0	0	0	114.6	D476 H482 P688 Q691	D476-P478 VanDerWaalsContact C-N 3.33Å; D476-P478 VanDerWaalsContact O-N 3.1Å; P478-H482 PolarHBondContact O-N 2.58Å; P478-H482 VanDerWaalsContact O-N 3.13Å; P478-P688 HydrophobicContact CB-CG 3.94Å; P478-P688 HydrophobicContact CG-CG 3.98Å; P478-Q691 PolarHBondContact O-NE2 3.37Å; P478-Q691 PolarHBondContact O-OE1 2.93Å
479	V	94.1	Very high	95	Very high	6 Å²	6	11 Å²	11	4%	0.036	6%	0.062	C	C	.	.	H	α-helix	trans	-71.8	-43.8	179.6	-178.7	0	0	0	0	110.8	Q306 I310 W474 A475 D476 A477	Q306-V479 HydrophobicContact CB-CG1 4.35Å; Q306-V479 HydrophobicContact CB-CG2 3.71Å; Q306-V479 HydrophobicContact CG-CG2 4.42Å; I310-V479 HydrophobicContact CD1-CG1 3.95Å; I310-V479 HydrophobicContact CG1-CG1 3.95Å; W474-V479 HydrophobicContact CH2-CG1 4.3Å; W474-V479 HydrophobicContact CZ3-CG1 4.1Å; A475-V479 HydrophobicContact CB-CB 4.07Å; A475-V479 HydrophobicContact CB-CG1 4.26Å; A475-V479 HydrophobicContact CB-CG2 4.25Å; D476-V479 WeakPolarHBondContact O-CB 3.46Å; D476-V479 PolarHBondContact O-N 3.45Å; A477-V479 PolarHBondContact O-N 3.48Å; A477-V479 VanDerWaalsContact O-N 3.13Å
480	V	94.8	Very high	94.9	Very high	5 Å²	5	11 Å²	11	3%	0.03	6%	0.062	C	C	.	.	H	α-helix	trans	-70.5	-39.9	176.3	178.2	0	0	0	0	110.7	Y253 I468 A470 W474 A477 H482 V483 W484	Y253-V480 HydrophobicContact CE2-CB 4.22Å; Y253-V480 HydrophobicContact CE2-CG2 4.27Å; Y253-V480 WeakPolarHBondContact OH-CG2 3.38Å; I468-V480 HydrophobicContact CD1-CG1 3.61Å; I468-V480 HydrophobicContact CG1-CG1 4.25Å; I468-V480 HydrophobicContact CG2-CG1 4.24Å; A470-V480 HydrophobicContact CB-CG1 4.34Å; A470-V480 HydrophobicContact CB-CG2 4.08Å; W474-V480 HydrophobicContact CH2-CG2 3.85Å; W474-V480 HydrophobicContact CZ2-CG2 3.73Å; A477-V480 PolarHBondContact O-N 2.93Å; V480-H482 VanDerWaalsContact C-N 3.3Å; V480-H482 PolarHBondContact O-N 3.42Å; V480-V483 WeakPolarHBondContact O-CG1 3.45Å; V480-V483 PolarHBondContact O-N 3.39Å; V480-W484 WeakPolarHBondContact O-CB 3.39Å; V480-W484 PolarHBondContact O-N 2.93Å
481	A	93.2	Very high	94.8	Very high	18 Å²	18	10.9 Å²	10.9	15%	0.149	6%	0.061	C	C	.	.	H	α-helix	trans	-58.7	-39.9	175.8	0	0	0	0	0	112.2	A477 V483 W484 E485 T687	A477-A481 WeakPolarHBondContact O-CB 3.33Å; A477-A481 PolarHBondContact O-N 3.35Å; A481-V483 PolarHBondContact O-N 3.45Å; A481-W484 PolarHBondContact O-N 3.43Å; A481-E485 WeakPolarHBondContact O-CB 3.42Å; A481-E485 VanDerWaalsContact O-CG 3.32Å; A481-E485 WeakPolarHBondContact O-CG 3.24Å; A481-E485 PolarHBondContact O-N 2.78Å; A481-T687 HydrophobicContact CB-CG2 4.32Å
482	H	93.9	Very high	94.5	Very high	26 Å²	26	11.9 Å²	11.9	12%	0.12	7%	0.068	C	C	.	.	H	α-helix	trans	-64.1	-42.1	178.6	179.7	-85.4	0	0	0	113	Y281 P478 V480 Y486	Y281-H482 AromaticContact CE2-CE1 3.73Å; Y281-H482 AromaticContact CE2-ND1 3.51Å; Y281-H482 AromaticContact CZ-ND1 3.64Å; Y281-H482 PolarHBondContact OH-ND1 3.25Å; P478-H482 PolarHBondContact O-N 2.58Å; P478-H482 VanDerWaalsContact O-N 3.13Å; V480-H482 VanDerWaalsContact C-N 3.3Å; V480-H482 PolarHBondContact O-N 3.42Å; H482-Y486 PolarHBondContact O-N 3.17Å
483	V	95.4	Very high	94.2	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.006	8%	0.076	C	C	.	.	H	α-helix	trans	-69.7	-37	174.8	59.7	0	0	0	0	111.2	F278 Y281 Y311 V480 A481 Y486 V487	F278-V483 HydrophobicContact CD1-CG2 3.88Å; F278-V483 HydrophobicContact CE1-CG2 3.9Å; Y281-V483 HydrophobicContact CD1-CB 4.25Å; Y281-V483 HydrophobicContact CD1-CG2 3.68Å; Y281-V483 HydrophobicContact CD2-CB 4.41Å; Y281-V483 HydrophobicContact CD2-CG2 4.11Å; Y281-V483 HydrophobicContact CE1-CB 3.89Å; Y281-V483 HydrophobicContact CE1-CG2 3.85Å; Y281-V483 HydrophobicContact CE2-CB 4.07Å; Y281-V483 HydrophobicContact CE2-CG2 4.26Å; Y281-V483 HydrophobicContact CG-CB 4.48Å; Y281-V483 HydrophobicContact CG-CG2 3.8Å; Y311-V483 WeakPolarHBondContact OH-CG2 3.21Å; V480-V483 WeakPolarHBondContact O-CG1 3.45Å; V480-V483 PolarHBondContact O-N 3.39Å; A481-V483 PolarHBondContact O-N 3.45Å; V483-Y486 WeakPolarHBondContact O-CB 3.48Å; V483-Y486 PolarHBondContact O-N 3.45Å; V483-V487 HydrophobicContact CG2-CG2 4.4Å; V483-V487 WeakPolarHBondContact O-CG2 3.47Å; V483-V487 PolarHBondContact O-N 2.7Å
484	W	95.1	Very high	94.1	Very high	11 Å²	11	19 Å²	19	4%	0.042	10%	0.101	C	C	.	.	H	α-helix	trans	-64.2	-47.2	178.4	-168.1	-125.1	0	0	0	112.1	M256 F278 V458 I468 V480 A481 Y486 V487 L488	M256-W484 PolarHBondContact O-NE1 3.27Å; F278-W484 HydrophobicContact CE2-CZ3 4.21Å; F278-W484 AromaticContact CZ-CE3 3.88Å; F278-W484 HydrophobicContact CZ-CE3 3.88Å; F278-W484 AromaticContact CZ-CZ3 3.81Å; F278-W484 HydrophobicContact CZ-CZ3 3.81Å; V458-W484 HydrophobicContact CG1-CH2 4.45Å; V458-W484 HydrophobicContact CG1-CZ3 4.22Å; I468-W484 HydrophobicContact CB-CE3 4.4Å; I468-W484 HydrophobicContact CD1-CE3 4.44Å; I468-W484 HydrophobicContact CG2-CD2 4.31Å; I468-W484 HydrophobicContact CG2-CG 4.46Å; V480-W484 WeakPolarHBondContact O-CB 3.39Å; V480-W484 PolarHBondContact O-N 2.93Å; A481-W484 PolarHBondContact O-N 3.43Å; W484-Y486 VanDerWaalsContact C-N 3.31Å; W484-Y486 PolarHBondContact O-N 3.21Å; W484-V487 PolarHBondContact O-N 2.95Å; W484-V487 VanDerWaalsContact O-N 3.16Å; W484-L488 HydrophobicContact CD2-CD1 4.49Å; W484-L488 HydrophobicContact CD2-CG 4.31Å; W484-L488 HydrophobicContact CG-CD1 4.43Å; W484-L488 HydrophobicContact CH2-CD2 4.4Å; W484-L488 HydrophobicContact CZ2-CD2 3.96Å; W484-L488 HydrophobicContact CZ2-CG 4.35Å; W484-L488 WeakPolarHBondContact O-CB 3.45Å; W484-L488 WeakPolarHBondContact O-CG 3.27Å; W484-L488 PolarHBondContact O-N 2.8Å
485	E	92.9	Very high	94.2	Very high	23 Å²	23	20.5 Å²	20.5	11%	0.107	11%	0.109	C	C	.	.	H	α-helix	trans	-55.1	-45.2	172.7	-77.2	177.7	-174.9	0	0	112.1	A481 V487 A489 Q690 Q691 A692 F695	A481-E485 WeakPolarHBondContact O-CB 3.42Å; A481-E485 VanDerWaalsContact O-CG 3.32Å; A481-E485 WeakPolarHBondContact O-CG 3.24Å; A481-E485 PolarHBondContact O-N 2.78Å; E485-V487 PolarHBondContact O-N 3.26Å; E485-A489 VanDerWaalsContact O-CB 3.31Å; E485-A489 WeakPolarHBondContact O-CB 3.45Å; E485-A489 PolarHBondContact O-N 3.18Å; E485-Q690 WeakPolarHBondContact OE1-CA 3.5Å; E485-Q690 PolarHBondContact OE1-N 3.4Å; E485-Q690 WeakPolarHBondContact OE2-CA 3.13Å; E485-Q691 PolarHBondContact OE1-N 2.87Å; E485-Q691 PolarHBondContact OE2-N 3.47Å; E485-A692 HydrophobicContact CB-CB 4.37Å; E485-A692 PolarHBondContact OE2-N 3.27Å; E485-F695 HydrophobicContact CB-CE2 4Å; E485-F695 HydrophobicContact CG-CE2 4.29Å; E485-F695 WeakPolarHBondContact O-CE2 3.41Å; E485-F695 WeakPolarHBondContact O-CZ 3.09Å
486	Y	94.9	Very high	94.2	Very high	16 Å²	16	21 Å²	21	6%	0.063	11%	0.114	C	C	.	.	H	α-helix	trans	-60.5	-45.1	177.4	178.5	-85.7	0	0	0	112.2	L280 Y281 K284 H482 V483 W484 A489 A490 L694	L280-Y486 HydrophobicContact CB-CE1 4.39Å; Y281-Y486 AromaticContact CD2-CD1 3.72Å; Y281-Y486 HydrophobicContact CD2-CD1 3.72Å; Y281-Y486 HydrophobicContact CD2-CD2 4.09Å; Y281-Y486 HydrophobicContact CD2-CE1 4.36Å; Y281-Y486 AromaticContact CD2-CG 3.58Å; Y281-Y486 HydrophobicContact CD2-CG 3.58Å; Y281-Y486 HydrophobicContact CE2-CG 4.36Å; Y281-Y486 HydrophobicContact CG-CD1 4.21Å; Y281-Y486 HydrophobicContact CG-CG 4.49Å; K284-Y486 HydrophobicContact CD-CE2 4.33Å; K284-Y486 PolarHBondContact NZ-OH 2.86Å; H482-Y486 PolarHBondContact O-N 3.17Å; V483-Y486 WeakPolarHBondContact O-CB 3.48Å; V483-Y486 PolarHBondContact O-N 3.45Å; W484-Y486 VanDerWaalsContact C-N 3.31Å; W484-Y486 PolarHBondContact O-N 3.21Å; Y486-A489 PolarHBondContact O-N 3Å; Y486-A490 HydrophobicContact CE1-CB 4.22Å; Y486-A490 WeakPolarHBondContact O-CB 3.07Å; Y486-A490 PolarHBondContact O-N 2.93Å; Y486-L694 HydrophobicContact CD2-CD1 3.75Å; Y486-L694 HydrophobicContact CG-CD1 4.34Å
487	V	96.3	Very high	94.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-66.8	-47.2	-177.6	167.7	0	0	0	0	110.8	T274 A277 F278 V483 W484 E485 A489 A490 D491	T274-V487 HydrophobicContact CG2-CG1 3.94Å; A277-V487 HydrophobicContact CB-CB 4.42Å; A277-V487 HydrophobicContact CB-CG1 4.21Å; A277-V487 HydrophobicContact CB-CG2 4.2Å; F278-V487 HydrophobicContact CB-CG2 4.47Å; F278-V487 HydrophobicContact CD1-CG2 3.64Å; F278-V487 HydrophobicContact CD2-CG1 4.14Å; F278-V487 HydrophobicContact CD2-CG2 3.97Å; F278-V487 HydrophobicContact CE1-CG2 3.75Å; F278-V487 HydrophobicContact CE2-CB 4.43Å; F278-V487 HydrophobicContact CE2-CG1 3.82Å; F278-V487 HydrophobicContact CE2-CG2 4.04Å; F278-V487 HydrophobicContact CG-CG2 3.75Å; F278-V487 HydrophobicContact CZ-CB 4.39Å; F278-V487 HydrophobicContact CZ-CG1 4.2Å; F278-V487 HydrophobicContact CZ-CG2 3.94Å; V483-V487 HydrophobicContact CG2-CG2 4.4Å; V483-V487 WeakPolarHBondContact O-CG2 3.47Å; V483-V487 PolarHBondContact O-N 2.7Å; W484-V487 PolarHBondContact O-N 2.95Å; W484-V487 VanDerWaalsContact O-N 3.16Å; E485-V487 PolarHBondContact O-N 3.26Å; V487-A489 VanDerWaalsContact C-N 3.33Å; V487-A489 PolarHBondContact O-N 3.36Å; V487-A490 PolarHBondContact O-N 2.87Å; V487-D491 VanDerWaalsContact O-CB 3.24Å; V487-D491 WeakPolarHBondContact O-CB 3.31Å; V487-D491 PolarHBondContact O-N 3.16Å
488	L	94.6	Very high	94.5	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-59	-43.9	176.6	-72	-175.5	0	0	0	111.8	D257 F258 W484 S492 F695	D257-L488 VanDerWaalsContact OD1-CD2 3.23Å; D257-L488 WeakPolarHBondContact OD1-CD2 3.43Å; F258-L488 HydrophobicContact CD1-CD1 4.48Å; F258-L488 HydrophobicContact CD2-CD2 4.4Å; F258-L488 HydrophobicContact CE1-CB 4.15Å; F258-L488 HydrophobicContact CE1-CD1 4.22Å; F258-L488 HydrophobicContact CE2-CB 4.08Å; F258-L488 HydrophobicContact CE2-CD2 4.11Å; F258-L488 HydrophobicContact CZ-CB 3.62Å; F258-L488 HydrophobicContact CZ-CD1 4.38Å; F258-L488 HydrophobicContact CZ-CD2 4.42Å; F258-L488 HydrophobicContact CZ-CG 4.37Å; W484-L488 HydrophobicContact CD2-CD1 4.49Å; W484-L488 HydrophobicContact CD2-CG 4.31Å; W484-L488 HydrophobicContact CG-CD1 4.43Å; W484-L488 HydrophobicContact CH2-CD2 4.4Å; W484-L488 HydrophobicContact CZ2-CD2 3.96Å; W484-L488 HydrophobicContact CZ2-CG 4.35Å; W484-L488 WeakPolarHBondContact O-CB 3.45Å; W484-L488 WeakPolarHBondContact O-CG 3.27Å; W484-L488 PolarHBondContact O-N 2.8Å; L488-S492 PolarHBondContact O-N 3.49Å; L488-S492 PolarHBondContact O-OG 3.44Å; L488-F695 HydrophobicContact CB-CZ 3.89Å
489	A	93.2	Very high	94.6	Very high	2 Å²	2	32.1 Å²	32.1	2%	0.017	16%	0.159	C	C	.	.	H	α-helix	trans	-68.1	-43.4	177.7	0	0	0	0	0	112.6	E485 Y486 V487 F493 L694 F695	E485-A489 VanDerWaalsContact O-CB 3.31Å; E485-A489 WeakPolarHBondContact O-CB 3.45Å; E485-A489 PolarHBondContact O-N 3.18Å; Y486-A489 PolarHBondContact O-N 3Å; V487-A489 VanDerWaalsContact C-N 3.33Å; V487-A489 PolarHBondContact O-N 3.36Å; A489-F493 HydrophobicContact CB-CD2 4.15Å; A489-F493 WeakPolarHBondContact O-CB 3.47Å; A489-F493 WeakPolarHBondContact O-CD2 3.45Å; A489-F493 PolarHBondContact O-N 2.99Å; A489-L694 HydrophobicContact CB-CB 3.69Å; A489-L694 HydrophobicContact CB-CD1 4.07Å; A489-F695 HydrophobicContact CB-CE1 4.01Å; A489-F695 HydrophobicContact CB-CE2 3.97Å; A489-F695 HydrophobicContact CB-CZ 3.64Å
490	A	95	Very high	94.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.6	-42.2	-179.6	0	0	0	0	0	111.5	A277 Y486 V487 Q494 L495	A277-A490 HydrophobicContact CB-CB 3.89Å; Y486-A490 HydrophobicContact CE1-CB 4.22Å; Y486-A490 WeakPolarHBondContact O-CB 3.07Å; Y486-A490 PolarHBondContact O-N 2.93Å; V487-A490 PolarHBondContact O-N 2.87Å; A490-Q494 WeakPolarHBondContact O-CA 3.34Å; A490-Q494 WeakPolarHBondContact O-CB 3.31Å; A490-Q494 PolarHBondContact O-N 3.31Å; A490-Q494 VanDerWaalsContact O-N 3.09Å; A490-L495 PolarHBondContact O-N 3.47Å
491	D	95.8	Very high	94.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	I	π-helix	trans	-57	-53.2	175.7	165	80.5	0	0	0	112	R270 N273 T274 V487 G496 Y497	R270-D491 IonicContact CZ-OD2 2.95Å; R270-D491 IonicContact NH1-OD1 2.75Å; R270-D491 PolarHBondContact NH1-OD1 3.44Å; R270-D491 IonicContact NH1-OD2 3.18Å; R270-D491 PolarHBondContact NH1-OD2 2.84Å; N273-D491 WeakPolarHBondContact CB-OD1 3.35Å; N273-D491 PolarHBondContact ND2-OD1 3.41Å; T274-D491 HydrophobicContact CG2-CB 4.14Å; V487-D491 VanDerWaalsContact O-CB 3.24Å; V487-D491 WeakPolarHBondContact O-CB 3.31Å; V487-D491 PolarHBondContact O-N 3.16Å; D491-G496 WeakPolarHBondContact O-CA 3.31Å; D491-G496 PolarHBondContact O-N 3.11Å; D491-Y497 VanDerWaalsContact OD1-CZ 3.28Å; D491-Y497 PolarHBondContact OD1-OH 3.28Å
492	S	91.9	Very high	95.1	Very high	21 Å²	21	40.3 Å²	40.3	15%	0.147	20%	0.197	C	C	.	.	I	π-helix	trans	-81.7	-37.5	-171.7	-62.7	0	0	0	0	113.6	F258 P263 L488	F258-S492 WeakPolarHBondContact CE2-OG 3.47Å; P263-S492 WeakPolarHBondContact CG-OG 3.48Å; L488-S492 PolarHBondContact O-N 3.49Å; L488-S492 PolarHBondContact O-OG 3.44Å
493	F	91.1	Very high	95.3	Very high	85 Å²	85	39.2 Å²	39.2	37%	0.373	19%	0.192	S	C	.	.	I	π-helix	trans	-107.1	-13.1	-170.7	-51.8	-59.3	0	0	0	114.9	A489 F695 Y703	A489-F493 HydrophobicContact CB-CD2 4.15Å; A489-F493 WeakPolarHBondContact O-CB 3.47Å; A489-F493 WeakPolarHBondContact O-CD2 3.45Å; A489-F493 PolarHBondContact O-N 2.99Å; F493-F695 AromaticContact CE2-CD1 3.6Å; F493-F695 HydrophobicContact CE2-CD1 3.6Å; F493-F695 AromaticContact CE2-CE1 3.65Å; F493-F695 HydrophobicContact CE2-CE1 3.65Å; F493-F695 HydrophobicContact CZ-CD1 4.26Å; F493-F695 HydrophobicContact CZ-CE1 4.45Å; F493-Y703 HydrophobicContact CE1-CD1 4.05Å; F493-Y703 HydrophobicContact CE1-CD2 4.2Å; F493-Y703 HydrophobicContact CE1-CE1 4.06Å; F493-Y703 HydrophobicContact CE1-CE2 4.2Å; F493-Y703 HydrophobicContact CE1-CG 4.11Å; F493-Y703 AromaticContact CZ-CD1 3.66Å; F493-Y703 HydrophobicContact CZ-CD1 3.66Å; F493-Y703 HydrophobicContact CZ-CD2 4.07Å; F493-Y703 HydrophobicContact CZ-CE1 4.14Å; F493-Y703 AromaticContact CZ-CG 3.61Å; F493-Y703 HydrophobicContact CZ-CG 3.61Å
494	Q	93.3	Very high	95.4	Very high	111 Å²	111	44.7 Å²	44.7	52%	0.519	22%	0.216	S	C	.	.	I	π-helix	trans	-117.3	-45.8	-177.5	-59	173.6	20.5	0	0	112.5	A490	A490-Q494 WeakPolarHBondContact O-CA 3.34Å; A490-Q494 WeakPolarHBondContact O-CB 3.31Å; A490-Q494 PolarHBondContact O-N 3.31Å; A490-Q494 VanDerWaalsContact O-N 3.09Å
495	L	96.4	Very high	95.3	Very high	35 Å²	35	46.6 Å²	46.6	18%	0.183	24%	0.238	C	C	.	.	I	π-helix	trans	-87.4	-58.2	-178.1	-59.4	176.2	0	0	0	110.2	N273 A277 P355 A490	N273-L495 HydrophobicContact CB-CB 4.48Å; N273-L495 HydrophobicContact CB-CD1 4.04Å; N273-L495 VanDerWaalsContact O-CD1 3.32Å; N273-L495 WeakPolarHBondContact O-CD1 3.49Å; A277-L495 HydrophobicContact CB-CD1 4.3Å; P355-L495 HydrophobicContact CG-CD1 4.38Å; P355-L495 HydrophobicContact CG-CD2 4.22Å; A490-L495 PolarHBondContact O-N 3.47Å
496	G	95.5	Very high	95.3	Very high	11 Å²	11	53.5 Å²	53.5	11%	0.113	27%	0.271	C	S	.	.			trans	60.8	-173.3	-178.6	0	0	0	0	0	113.7	N273 D491	N273-G496 PolarHBondContact ND2-O 2.95Å; D491-G496 WeakPolarHBondContact O-CA 3.31Å; D491-G496 PolarHBondContact O-N 3.11Å
497	Y	97.8	Very high	95.2	Very high	30 Å²	30	54.9 Å²	54.9	12%	0.118	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-128.4	161.6	-175.9	-59.4	-86.7	0	0	0	110.6	P263 T264 A269 N273 D491 G501 H502 K504	P263-Y497 HydrophobicContact CB-CD2 4.18Å; P263-Y497 HydrophobicContact CB-CE2 3.55Å; T264-Y497 HydrophobicContact CG2-CD1 3.9Å; T264-Y497 HydrophobicContact CG2-CE1 3.34Å; T264-Y497 HydrophobicContact CG2-CE2 4.08Å; T264-Y497 HydrophobicContact CG2-CG 4.45Å; T264-Y497 VanDerWaalsContact CG2-CZ 3.41Å; A269-Y497 HydrophobicContact CB-CD1 4.13Å; A269-Y497 HydrophobicContact CB-CE1 3.89Å; N273-Y497 HydrophobicContact CB-CE1 4.34Å; N273-Y497 WeakPolarHBondContact ND2-CE1 3.37Å; D491-Y497 VanDerWaalsContact OD1-CZ 3.28Å; D491-Y497 PolarHBondContact OD1-OH 3.28Å; Y497-G501 VanDerWaalsContact CD1-O 3.27Å; Y497-G501 WeakPolarHBondContact CD1-O 3.32Å; Y497-H502 CarbonylContact C-O 3.51Å; Y497-H502 VanDerWaalsContact CA-O 3.27Å; Y497-H502 WeakPolarHBondContact CA-O 3.49Å; Y497-H502 WeakPolarHBondContact CB-O 3.47Å; Y497-K504 WeakPolarHBondContact O-CE 3.48Å
498	N	96.9	Very high	94.9	Very high	62 Å²	62	57.9 Å²	57.9	33%	0.332	30%	0.297	S	S	.	.			trans	-78.4	179	170	75.5	-3.3	0	0	0	110.8	E500 G501 H502	N498-E500 PolarHBondContact O-N 3.05Å; N498-E500 PolarHBondContact OD1-N 2.85Å; N498-E500 VanDerWaalsContact OD1-N 3.12Å; N498-G501 PolarHBondContact O-N 3.18Å; N498-G501 PolarHBondContact OD1-N 2.71Å; N498-H502 PolarHBondContact N-O 3.28Å; N498-H502 WeakPolarHBondContact OD1-CA 3.32Å; N498-H502 WeakPolarHBondContact OD1-CB 3.42Å; N498-H502 PolarHBondContact OD1-N 3.45Å; N498-H502 PolarHBondContact OD1-O 3.17Å
499	E	95.5	Very high	94.2	Very high	208 Å²	208	62.6 Å²	62.6	97%	0.972	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.7	-178.5	-64.7	-177.9	175.1	0	0	113.4	G501	E499-G501 VanDerWaalsContact C-N 3.32Å
500	E	96.4	Very high	93.8	Very high	141 Å²	141	66.3 Å²	66.3	66%	0.659	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-3.6	177.6	-61.1	165.5	172.3	0	0	112.7	I266 N498 H502	I266-E500 WeakPolarHBondContact CD1-O 3.36Å; N498-E500 PolarHBondContact O-N 3.05Å; N498-E500 PolarHBondContact OD1-N 2.85Å; N498-E500 VanDerWaalsContact OD1-N 3.12Å; E500-H502 IonicContact OE2-CD2 2.72Å
501	G	96.8	Very high	93.6	Very high	12 Å²	12	66.6 Å²	66.6	12%	0.124	36%	0.357	C	S	.	.	S	Bend	trans	84.8	5.9	-178.4	0	0	0	0	0	115.1	T264 A269 Y497 N498 E499	T264-G501 WeakPolarHBondContact CB-O 3.27Å; T264-G501 PolarHBondContact OG1-O 2.74Å; A269-G501 WeakPolarHBondContact CB-O 3.13Å; Y497-G501 VanDerWaalsContact CD1-O 3.27Å; Y497-G501 WeakPolarHBondContact CD1-O 3.32Å; N498-G501 PolarHBondContact O-N 3.18Å; N498-G501 PolarHBondContact OD1-N 2.71Å; E499-G501 VanDerWaalsContact C-N 3.32Å
502	H	98.4	Very high	93.4	Very high	49 Å²	49	70 Å²	70	23%	0.227	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-82.2	158.2	175.4	-70.7	-62.4	0	0	0	112.4	R356 E359 Y497 N498 E500	R356-H502 VanDerWaalsContact NH1-CG 3.31Å; R356-H502 PolarHBondContact NH1-ND1 2.96Å; E359-H502 IonicContact OE1-CE1 3.97Å; E359-H502 IonicContact OE1-CG 3.49Å; E359-H502 IonicContact OE1-ND1 2.94Å; E359-H502 PolarHBondContact OE1-ND1 3.35Å; Y497-H502 CarbonylContact C-O 3.51Å; Y497-H502 VanDerWaalsContact CA-O 3.27Å; Y497-H502 WeakPolarHBondContact CA-O 3.49Å; Y497-H502 WeakPolarHBondContact CB-O 3.47Å; N498-H502 PolarHBondContact N-O 3.28Å; N498-H502 WeakPolarHBondContact OD1-CA 3.32Å; N498-H502 WeakPolarHBondContact OD1-CB 3.42Å; N498-H502 PolarHBondContact OD1-N 3.45Å; N498-H502 PolarHBondContact OD1-O 3.17Å; E500-H502 IonicContact OE2-CD2 2.72Å
503	C	98.3	Very high	93.5	Very high	2 Å²	2	73.6 Å²	73.6	1%	0.014	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	-60.4	144.8	172.4	-71.4	0	0	0	0	111	A269 N273 P355 R356 E359	A269-C503 PolarHBondContact O-SG 3.45Å; N273-C503 PolarHBondContact OD1-SG 3.33Å; P355-C503 HydrophobicContact CB-CB 3.87Å; R356-C503 HydrophobicContact CB-CB 4.02Å; R356-C503 WeakPolarHBondContact CD-O 3.41Å; E359-C503 HydrophobicContact CB-CB 4.45Å; E359-C503 WeakPolarHBondContact OE2-CB 3.34Å; E359-C503 PolarHBondContact OE2-N 2.87Å
504	K	97.4	Very high	93.7	Very high	117 Å²	117	70.5 Å²	70.5	51%	0.509	39%	0.391	S	S	.	.	S	Bend	trans	-73.9	146.1	176.4	-61.1	178.9	-173.7	168.8	0	111.7	Y497	Y497-K504 WeakPolarHBondContact O-CE 3.48Å
505	G	94.1	Very high	93.9	Very high	50 Å²	50	69.1 Å²	69.1	52%	0.515	38%	0.384	S	S	.	.	S	Bend	trans	112.2	-176.4	175.7	0	0	0	0	0	113	R356	R356-G505 WeakPolarHBondContact CG-O 3.26Å
506	E	92.3	Very high	94	Very high	168 Å²	168	70 Å²	70	79%	0.785	39%	0.386	S	S	*	.			trans	-106.6	158	-178.9	-64	-58.9	148.2	0	0	111.6
507	V	93	Very high	94.1	Very high	46 Å²	46	69.9 Å²	69.9	28%	0.279	38%	0.384	S	S	.	.			trans	-101.3	130.3	175.4	-177.4	0	0	0	0	109.8	R356 F360 S509 L511	R356-V507 HydrophobicContact CG-CG2 3.62Å; F360-V507 HydrophobicContact CB-CG1 4.01Å; F360-V507 HydrophobicContact CB-CG2 3.93Å; F360-V507 HydrophobicContact CD1-CG1 3.5Å; F360-V507 HydrophobicContact CD2-CG1 4.24Å; F360-V507 HydrophobicContact CE1-CG1 3.89Å; F360-V507 HydrophobicContact CG-CG1 3.67Å; F360-V507 HydrophobicContact CG-CG2 4.24Å; F360-V507 HydrophobicContact CZ-CG1 4.44Å; V507-S509 PolarHBondContact O-N 2.96Å; V507-L511 HydrophobicContact CG1-CD1 4.34Å
508	D	88.6	Confident	94.1	Very high	63 Å²	63	72.1 Å²	72.1	34%	0.337	40%	0.403	S	S	.	.			trans	-75.3	112.3	161.2	-173.8	-16.5	0	0	0	109.1	S510 L511	D508-S510 PolarHBondContact O-N 3.02Å; D508-S510 VanDerWaalsContact OD1-CB 3.28Å; D508-S510 WeakPolarHBondContact OD1-CB 3.46Å; D508-S510 PolarHBondContact OD1-N 3.4Å; D508-S510 PolarHBondContact OD1-OG 3.08Å; D508-S510 PolarHBondContact OD2-OG 3.18Å; D508-L511 HydrophobicContact CB-CD2 4.45Å; D508-L511 HydrophobicContact CB-CG 4.2Å; D508-L511 WeakPolarHBondContact O-CD1 2.91Å; D508-L511 WeakPolarHBondContact O-CG 3.34Å; D508-L511 PolarHBondContact O-N 3.37Å
509	S	80.5	Confident	94.1	Very high	102 Å²	102	70 Å²	70	71%	0.713	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-14.1	-178.4	58.1	0	0	0	0	113.4	V507 L511	V507-S509 PolarHBondContact O-N 2.96Å; S509-L511 VanDerWaalsContact C-N 3.27Å; S509-L511 PolarHBondContact O-N 2.94Å
510	S	86	Confident	94.2	Very high	80 Å²	80	66.3 Å²	66.3	56%	0.559	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-0.7	178.8	76	0	0	0	0	114.2	D508	D508-S510 PolarHBondContact O-N 3.02Å; D508-S510 VanDerWaalsContact OD1-CB 3.28Å; D508-S510 WeakPolarHBondContact OD1-CB 3.46Å; D508-S510 PolarHBondContact OD1-N 3.4Å; D508-S510 PolarHBondContact OD1-OG 3.08Å; D508-S510 PolarHBondContact OD2-OG 3.18Å
511	L	90.1	Very high	94.3	Very high	5 Å²	5	60.2 Å²	60.2	3%	0.026	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-57.4	128.2	177.7	-66.1	171.4	0	0	0	111	L353 E357 Q361 R364 V507 D508 S509	L353-L511 HydrophobicContact CD2-CD2 3.72Å; E357-L511 HydrophobicContact CB-CD1 3.69Å; E357-L511 HydrophobicContact CG-CD1 3.77Å; Q361-L511 HydrophobicContact CG-CD1 4.4Å; R364-L511 PolarHBondContact NH1-O 3.43Å; V507-L511 HydrophobicContact CG1-CD1 4.34Å; D508-L511 HydrophobicContact CB-CD2 4.45Å; D508-L511 HydrophobicContact CB-CG 4.2Å; D508-L511 WeakPolarHBondContact O-CD1 2.91Å; D508-L511 WeakPolarHBondContact O-CG 3.34Å; D508-L511 PolarHBondContact O-N 3.37Å; S509-L511 VanDerWaalsContact C-N 3.27Å; S509-L511 PolarHBondContact O-N 2.94Å
512	P	90.9	Very high	94.3	Very high	71 Å²	71	62 Å²	62	46%	0.461	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-63.9	142	176.3	27.5	-33.4	0	0	0	110	Q361	Q361-P512 PolarHBondContact NE2-O 3.18Å
513	P	93.7	Very high	94.3	Very high	97 Å²	97	62.6 Å²	62.6	63%	0.63	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-64.2	154.6	-179.3	27.6	-34.8	0	0	0	111.5
514	P	96.7	Very high	94.3	Very high	20 Å²	20	67.1 Å²	67.1	13%	0.13	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-56.3	139	171.5	-21.9	34.5	0	0	0	110.9	L344 Q361 I365 K516	L344-P514 HydrophobicContact CD1-CB 4.48Å; L344-P514 HydrophobicContact CD1-CG 4.16Å; Q361-P514 HydrophobicContact CB-CG 4.23Å; Q361-P514 WeakPolarHBondContact O-CG 3.28Å; I365-P514 HydrophobicContact CD1-CB 3.86Å; I365-P514 HydrophobicContact CD1-CG 4Å; I365-P514 HydrophobicContact CG1-CB 3.8Å; I365-P514 HydrophobicContact CG1-CG 3.75Å; P514-K516 PolarHBondContact O-N 2.91Å
515	Q	97.2	Very high	94.3	Very high	83 Å²	83	61.5 Å²	61.5	39%	0.388	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	111.3	-177.2	177.2	-177.7	11.9	0	0	109.7	F342 R343 L517	F342-Q515 CarbonylContact C-O 3.49Å; F342-Q515 WeakPolarHBondContact CA-O 3.41Å; R343-Q515 HydrophobicContact CB-CB 4.3Å; R343-Q515 PolarHBondContact N-O 2.95Å; R343-Q515 PolarHBondContact O-N 2.97Å; Q515-L517 PolarHBondContact O-N 3.37Å
516	K	97.8	Very high	94.5	Very high	52 Å²	52	61.1 Å²	61.1	23%	0.226	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	133.8	168.6	-170.5	-178.3	174.1	-176.3	0	110.1	F342 V370 P371 P514	F342-K516 HydrophobicContact CD1-CB 3.85Å; F342-K516 HydrophobicContact CD1-CG 4.27Å; F342-K516 HydrophobicContact CE1-CB 3.76Å; F342-K516 HydrophobicContact CE1-CD 4.47Å; F342-K516 HydrophobicContact CE1-CG 3.96Å; F342-K516 HydrophobicContact CZ-CG 4.36Å; V370-K516 HydrophobicContact CG1-CD 4.43Å; P371-K516 PolarHBondContact O-NZ 3.39Å; P514-K516 PolarHBondContact O-N 2.91Å
517	L	98.3	Very high	94.8	Very high	10 Å²	10	57.7 Å²	57.7	5%	0.052	33%	0.33	C	S	.	.			trans	-77	144.7	174.5	-57.3	-170.7	0	0	0	109.8	Y341 R343 C409 I410 Q515 W519	Y341-L517 PolarHBondContact O-N 3.45Å; R343-L517 HydrophobicContact CB-CD2 4.08Å; C409-L517 HydrophobicContact CB-CD1 4.24Å; C409-L517 HydrophobicContact CB-CD2 4.12Å; I410-L517 HydrophobicContact CD1-CD1 4.2Å; I410-L517 HydrophobicContact CG1-CD1 3.88Å; Q515-L517 PolarHBondContact O-N 3.37Å; L517-W519 HydrophobicContact CB-CZ2 4.44Å; L517-W519 HydrophobicContact CD1-CZ2 4.27Å
518	S	97.2	Very high	95	Very high	76 Å²	76	57.9 Å²	57.9	53%	0.531	33%	0.328	S	S	.	.			trans	-105.3	146.4	-179	-54.1	0	0	0	0	110.1	V402 S406	V402-S518 VanDerWaalsContact CG1-O 3.26Å; V402-S518 WeakPolarHBondContact CG1-O 3.36Å; S406-S518 WeakPolarHBondContact CB-O 3.28Å; S406-S518 PolarHBondContact OG-N 2.92Å; S406-S518 PolarHBondContact OG-O 3.3Å
519	W	97.8	Very high	95.5	Very high	17 Å²	17	55.1 Å²	55.1	6%	0.064	31%	0.313	C	S	.	.			trans	-140.9	141.1	-177.8	-55.6	97	0	0	0	110.7	Y341 E376 L379 F398 N403 S406 L407 I410 L517 I521	Y341-W519 HydrophobicContact CD2-CZ2 4.34Å; Y341-W519 AromaticContact CD2-NE1 3.78Å; Y341-W519 HydrophobicContact CG-CZ2 4.38Å; E376-W519 VanDerWaalsContact CD-CD1 3.42Å; E376-W519 VanDerWaalsContact CG-CD1 3.46Å; E376-W519 HydrophobicContact CG-CG 4.28Å; E376-W519 PolarHBondContact OE1-NE1 3.17Å; L379-W519 HydrophobicContact CD2-CD2 3.74Å; L379-W519 HydrophobicContact CD2-CE3 3.81Å; L379-W519 HydrophobicContact CD2-CG 4.48Å; L379-W519 HydrophobicContact CD2-CH2 3.69Å; L379-W519 HydrophobicContact CD2-CZ2 3.62Å; L379-W519 HydrophobicContact CD2-CZ3 3.8Å; F398-W519 HydrophobicContact CD1-CE3 4.39Å; F398-W519 AromaticContact CD1-CZ3 3.83Å; F398-W519 HydrophobicContact CD1-CZ3 3.83Å; F398-W519 AromaticContact CE1-CE3 3.92Å; F398-W519 HydrophobicContact CE1-CE3 3.92Å; F398-W519 AromaticContact CE1-CZ3 3.64Å; F398-W519 HydrophobicContact CE1-CZ3 3.64Å; N403-W519 HydrophobicContact CB-CE3 4.4Å; N403-W519 WeakPolarHBondContact OD1-CA 3.48Å; S406-W519 VanDerWaalsContact CB-CH2 3.43Å; L407-W519 HydrophobicContact CB-CH2 4.44Å; L407-W519 HydrophobicContact CB-CZ3 4.42Å; I410-W519 HydrophobicContact CD1-CH2 4.06Å; I410-W519 HydrophobicContact CD1-CZ2 3.89Å; L517-W519 HydrophobicContact CB-CZ2 4.44Å; L517-W519 HydrophobicContact CD1-CZ2 4.27Å; W519-I521 HydrophobicContact CB-CD1 3.96Å; W519-I521 HydrophobicContact CB-CG1 3.89Å; W519-I521 HydrophobicContact CG-CD1 4.46Å
520	E	97	Very high	96.4	Very high	131 Å²	131	53.6 Å²	53.6	61%	0.612	30%	0.302	S	S	*	.			trans	-121.8	84.4	173.6	-71.2	174.6	-179.8	0	0	107.1	V402 N403 P522	V402-E520 HydrophobicContact CB-CG 4.46Å; N403-E520 PolarHBondContact ND2-O 3.26Å; N403-E520 PolarHBondContact OD1-N 2.95Å; N403-E520 PolarHBondContact OD1-O 3.26Å; E520-P522 VanDerWaalsContact O-CD 3.32Å; E520-P522 WeakPolarHBondContact O-CD 3.06Å
521	I	97.5	Very high	97	Very high	13 Å²	13	56.6 Å²	56.6	7%	0.067	30%	0.301	C	S	.	.			trans	-101	105.2	-171.8	-55	173.1	0	0	0	108.6	E376 L379 W519 C525 Q526 I529	E376-I521 HydrophobicContact CB-CD1 4.48Å; L379-I521 HydrophobicContact CD1-CD1 4.21Å; L379-I521 HydrophobicContact CD2-CD1 4.38Å; W519-I521 HydrophobicContact CB-CD1 3.96Å; W519-I521 HydrophobicContact CB-CG1 3.89Å; W519-I521 HydrophobicContact CG-CD1 4.46Å; I521-C525 HydrophobicContact CG2-CB 3.74Å; I521-Q526 HydrophobicContact CG2-CG 3.75Å; I521-Q526 PolarHBondContact O-NE2 3.27Å; I521-I529 HydrophobicContact CD1-CD1 4.48Å; I521-I529 HydrophobicContact CG2-CD1 3.86Å
522	P	97.6	Very high	97.4	Very high	49 Å²	49	56.6 Å²	56.6	32%	0.318	30%	0.302	S	S	.	.			trans	-68.4	164.3	-179.8	31.2	-36.7	0	0	0	111.7	Y397 E520 E524 C525 Q526	Y397-P522 HydrophobicContact CD1-CG 3.59Å; Y397-P522 HydrophobicContact CE1-CG 3.76Å; E520-P522 VanDerWaalsContact O-CD 3.32Å; E520-P522 WeakPolarHBondContact O-CD 3.06Å; P522-E524 VanDerWaalsContact C-N 3.25Å; P522-E524 WeakPolarHBondContact CB-OE2 3.46Å; P522-E524 PolarHBondContact O-N 3.24Å; P522-C525 HydrophobicContact CG-CB 3.9Å; P522-C525 WeakPolarHBondContact O-CB 3.41Å; P522-C525 PolarHBondContact O-N 2.79Å; P522-C525 VanDerWaalsContact O-N 3.1Å; P522-Q526 WeakPolarHBondContact O-CG 3.38Å; P522-Q526 PolarHBondContact O-N 3.36Å
523	S	97.9	Very high	97.7	Very high	63 Å²	63	54.1 Å²	54.1	44%	0.441	28%	0.284	S	S	.	.	H	α-helix	trans	-53.9	-41.9	-177.5	24.5	0	0	0	0	112.7	C525 Q526 E527	S523-C525 VanDerWaalsContact C-N 3.29Å; S523-C525 PolarHBondContact O-N 3.35Å; S523-Q526 WeakPolarHBondContact O-CB 3.38Å; S523-Q526 PolarHBondContact O-N 3.18Å; S523-Q526 VanDerWaalsContact O-N 3.09Å; S523-E527 PolarHBondContact O-N 3.35Å
524	E	98	Very high	98	Very high	96 Å²	96	52.4 Å²	52.4	45%	0.449	28%	0.278	S	S	.	.	H	α-helix	trans	-66.1	-35.6	-177.3	-57.4	68.4	-143.2	0	0	110.6	Y397 P522 E527 Q528	Y397-E524 HydrophobicContact CE1-CB 4.45Å; Y397-E524 VanDerWaalsContact OH-CB 3.3Å; Y397-E524 WeakPolarHBondContact OH-CB 3.44Å; P522-E524 VanDerWaalsContact C-N 3.25Å; P522-E524 WeakPolarHBondContact CB-OE2 3.46Å; P522-E524 PolarHBondContact O-N 3.24Å; E524-E527 PolarHBondContact O-N 2.69Å; E524-Q528 WeakPolarHBondContact O-CG 3.07Å; E524-Q528 PolarHBondContact O-N 2.78Å
525	C	98.3	Very high	98.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-70.6	-37.9	173.4	-170.5	0	0	0	0	111.6	Y397 I521 P522 S523 E527 Q528 I529	Y397-C525 HydrophobicContact CD1-CB 3.8Å; Y397-C525 HydrophobicContact CD2-CB 3.66Å; Y397-C525 VanDerWaalsContact CD2-SG 3.51Å; Y397-C525 HydrophobicContact CE1-CB 3.98Å; Y397-C525 HydrophobicContact CE2-CB 3.85Å; Y397-C525 HydrophobicContact CG-CB 3.64Å; I521-C525 HydrophobicContact CG2-CB 3.74Å; P522-C525 HydrophobicContact CG-CB 3.9Å; P522-C525 WeakPolarHBondContact O-CB 3.41Å; P522-C525 PolarHBondContact O-N 2.79Å; P522-C525 VanDerWaalsContact O-N 3.1Å; S523-C525 VanDerWaalsContact C-N 3.29Å; S523-C525 PolarHBondContact O-N 3.35Å; C525-E527 VanDerWaalsContact C-N 3.27Å; C525-E527 PolarHBondContact O-N 3.38Å; C525-Q528 WeakPolarHBondContact O-CB 3.38Å; C525-Q528 PolarHBondContact O-N 3.16Å; C525-Q528 VanDerWaalsContact O-N 3.11Å; C525-I529 WeakPolarHBondContact O-CG1 3.36Å; C525-I529 PolarHBondContact O-N 3.43Å
526	Q	98.4	Very high	98.1	Very high	41 Å²	41	50.2 Å²	50.2	19%	0.192	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-35	175.2	-64.2	172	48.6	0	0	112.1	I521 P522 S523 I529 S530	I521-Q526 HydrophobicContact CG2-CG 3.75Å; I521-Q526 PolarHBondContact O-NE2 3.27Å; P522-Q526 WeakPolarHBondContact O-CG 3.38Å; P522-Q526 PolarHBondContact O-N 3.36Å; S523-Q526 WeakPolarHBondContact O-CB 3.38Å; S523-Q526 PolarHBondContact O-N 3.18Å; S523-Q526 VanDerWaalsContact O-N 3.09Å; Q526-I529 PolarHBondContact O-N 2.88Å; Q526-S530 WeakPolarHBondContact O-CB 3.48Å; Q526-S530 PolarHBondContact O-N 3.02Å; Q526-S530 PolarHBondContact O-OG 3.02Å
527	E	98.2	Very high	98.2	Very high	97 Å²	97	51 Å²	51	45%	0.453	28%	0.275	S	S	.	.	H	α-helix	trans	-64.5	-43.4	171.2	-69.9	-176.7	-162.2	0	0	112	S523 E524 C525 I529 S530 R531	S523-E527 PolarHBondContact O-N 3.35Å; E524-E527 PolarHBondContact O-N 2.69Å; C525-E527 VanDerWaalsContact C-N 3.27Å; C525-E527 PolarHBondContact O-N 3.38Å; E527-I529 VanDerWaalsContact C-N 3.34Å; E527-I529 PolarHBondContact O-N 3.42Å; E527-S530 PolarHBondContact O-N 2.63Å; E527-R531 WeakPolarHBondContact O-CG 3.49Å; E527-R531 PolarHBondContact O-N 3.26Å; E527-R531 IonicContact OE2-NH2 3.41Å; E527-R531 PolarHBondContact OE2-NH2 2.96Å; E527-R531 VanDerWaalsContact OE2-NH2 3.12Å
528	Q	98.3	Very high	98.2	Very high	50 Å²	50	53.5 Å²	53.5	23%	0.234	30%	0.297	C	S	.	.	H	α-helix	trans	-61.9	-42.6	175.6	-61.7	-48	-55.9	0	0	111.5	L382 Y397 E524 C525 S530 R531 S532	L382-Q528 HydrophobicContact CD2-CB 4.34Å; Y397-Q528 HydrophobicContact CE2-CG 4.43Å; E524-Q528 WeakPolarHBondContact O-CG 3.07Å; E524-Q528 PolarHBondContact O-N 2.78Å; C525-Q528 WeakPolarHBondContact O-CB 3.38Å; C525-Q528 PolarHBondContact O-N 3.16Å; C525-Q528 VanDerWaalsContact O-N 3.11Å; Q528-S530 VanDerWaalsContact C-N 3.29Å; Q528-S530 PolarHBondContact O-N 2.85Å; Q528-R531 PolarHBondContact O-N 3.32Å; Q528-S532 WeakPolarHBondContact O-CB 3.19Å; Q528-S532 PolarHBondContact O-N 3.42Å; Q528-S532 PolarHBondContact O-OG 2.94Å
529	I	98.7	Very high	98.2	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-56.6	-46	173.9	-69.9	165.2	0	0	0	110.3	K378 L379 A381 L382 I521 C525 Q526 E527 S532 L533	K378-I529 HydrophobicContact CB-CG2 3.76Å; K378-I529 WeakPolarHBondContact O-CG2 3.42Å; L379-I529 HydrophobicContact CD1-CD1 3.92Å; L379-I529 HydrophobicContact CD1-CG1 4.48Å; A381-I529 HydrophobicContact CB-CG2 4.42Å; L382-I529 HydrophobicContact CD1-CD1 4.48Å; L382-I529 HydrophobicContact CD1-CG1 3.79Å; L382-I529 HydrophobicContact CD2-CG1 3.97Å; L382-I529 HydrophobicContact CG-CG1 3.76Å; I521-I529 HydrophobicContact CD1-CD1 4.48Å; I521-I529 HydrophobicContact CG2-CD1 3.86Å; C525-I529 WeakPolarHBondContact O-CG1 3.36Å; C525-I529 PolarHBondContact O-N 3.43Å; Q526-I529 PolarHBondContact O-N 2.88Å; E527-I529 VanDerWaalsContact C-N 3.34Å; E527-I529 PolarHBondContact O-N 3.42Å; I529-S532 PolarHBondContact O-N 2.69Å; I529-L533 WeakPolarHBondContact O-CB 3.34Å; I529-L533 PolarHBondContact O-N 2.99Å
530	S	98.5	Very high	98.2	Very high	70 Å²	70	50.1 Å²	50.1	49%	0.49	28%	0.275	S	S	.	.	H	α-helix	trans	-66.8	-39.2	-178.9	-57.6	0	0	0	0	112.5	Q526 E527 Q528 L533 A534	Q526-S530 WeakPolarHBondContact O-CB 3.48Å; Q526-S530 PolarHBondContact O-N 3.02Å; Q526-S530 PolarHBondContact O-OG 3.02Å; E527-S530 PolarHBondContact O-N 2.63Å; Q528-S530 VanDerWaalsContact C-N 3.29Å; Q528-S530 PolarHBondContact O-N 2.85Å; S530-L533 PolarHBondContact O-N 2.9Å; S530-A534 PolarHBondContact O-N 3.32Å
531	R	98.4	Very high	98.3	Very high	142 Å²	142	49 Å²	49	54%	0.536	27%	0.272	S	S	.	.	H	α-helix	trans	-65.9	-47	175.1	-69.3	174.4	-163.5	179	8.8	111.6	E527 Q528 L533 A534 V535	E527-R531 WeakPolarHBondContact O-CG 3.49Å; E527-R531 PolarHBondContact O-N 3.26Å; E527-R531 IonicContact OE2-NH2 3.41Å; E527-R531 PolarHBondContact OE2-NH2 2.96Å; E527-R531 VanDerWaalsContact OE2-NH2 3.12Å; Q528-R531 PolarHBondContact O-N 3.32Å; R531-L533 VanDerWaalsContact C-N 3.28Å; R531-L533 PolarHBondContact O-N 3Å; R531-A534 PolarHBondContact O-N 2.85Å; R531-V535 PolarHBondContact O-N 3.26Å; R531-V535 VanDerWaalsContact O-N 3.09Å
532	S	98.5	Very high	98.3	Very high	5 Å²	5	50 Å²	50	4%	0.035	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-38.6	176	-67.6	0	0	0	0	111.8	A381 Q528 I529 V535 A536	A381-S532 WeakPolarHBondContact O-CB 3.46Å; Q528-S532 WeakPolarHBondContact O-CB 3.19Å; Q528-S532 PolarHBondContact O-N 3.42Å; Q528-S532 PolarHBondContact O-OG 2.94Å; I529-S532 PolarHBondContact O-N 2.69Å; S532-V535 PolarHBondContact O-N 3.23Å; S532-A536 WeakPolarHBondContact O-CB 3.45Å; S532-A536 PolarHBondContact O-N 2.99Å
533	L	98.6	Very high	98.3	Very high	19 Å²	19	47.7 Å²	47.7	10%	0.099	26%	0.263	C	S	.	.	H	α-helix	trans	-63.4	-43.7	174.3	-179.6	58	0	0	0	111.9	K378 A381 C447 Y448 I529 S530 R531 V535 A536 Q537	K378-L533 HydrophobicContact CB-CD2 4.5Å; K378-L533 HydrophobicContact CD-CD2 3.6Å; K378-L533 HydrophobicContact CG-CD2 4.18Å; A381-L533 HydrophobicContact CB-CB 3.75Å; A381-L533 HydrophobicContact CB-CD1 4.18Å; C447-L533 HydrophobicContact CB-CD1 3.78Å; Y448-L533 HydrophobicContact CD1-CD1 3.87Å; Y448-L533 HydrophobicContact CD1-CD2 4.29Å; I529-L533 WeakPolarHBondContact O-CB 3.34Å; I529-L533 PolarHBondContact O-N 2.99Å; S530-L533 PolarHBondContact O-N 2.9Å; R531-L533 VanDerWaalsContact C-N 3.28Å; R531-L533 PolarHBondContact O-N 3Å; L533-V535 VanDerWaalsContact C-N 3.33Å; L533-V535 PolarHBondContact O-N 3.03Å; L533-A536 PolarHBondContact O-N 2.76Å; L533-Q537 VanDerWaalsContact O-CB 3.25Å; L533-Q537 WeakPolarHBondContact O-CB 3.35Å; L533-Q537 PolarHBondContact O-N 3.37Å
534	A	98.6	Very high	98.2	Very high	61 Å²	61	45.4 Å²	45.4	50%	0.504	25%	0.246	S	C	.	.	H	α-helix	trans	-60.7	-42.4	178	0	0	0	0	0	112	S530 R531 A538	S530-A534 PolarHBondContact O-N 3.32Å; R531-A534 PolarHBondContact O-N 2.85Å; A534-A538 WeakPolarHBondContact O-CB 2.84Å; A534-A538 PolarHBondContact O-N 3.37Å
535	V	98.4	Very high	98.1	Very high	58 Å²	58	40.9 Å²	40.9	35%	0.352	23%	0.225	S	C	.	.	H	α-helix	trans	-63.5	-47.1	174.8	173.4	0	0	0	0	111.3	P246 E386 R531 S532 L533 A538 L539	P246-V535 HydrophobicContact CG-CG1 4.07Å; E386-V535 HydrophobicContact CG-CG1 4.19Å; R531-V535 PolarHBondContact O-N 3.26Å; R531-V535 VanDerWaalsContact O-N 3.09Å; S532-V535 PolarHBondContact O-N 3.23Å; L533-V535 VanDerWaalsContact C-N 3.33Å; L533-V535 PolarHBondContact O-N 3.03Å; V535-A538 PolarHBondContact O-N 2.99Å; V535-L539 PolarHBondContact O-N 3.06Å; V535-L539 VanDerWaalsContact O-N 3.1Å
536	A	98.5	Very high	98	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.9	-41.9	-179.2	0	0	0	0	0	111.8	M248 A384 C447 S532 L533 L539 A540	M248-A536 HydrophobicContact CE-CB 4.14Å; M248-A536 WeakPolarHBondContact CE-O 2.95Å; A384-A536 HydrophobicContact CB-CB 3.66Å; C447-A536 HydrophobicContact CB-CB 3.75Å; S532-A536 WeakPolarHBondContact O-CB 3.45Å; S532-A536 PolarHBondContact O-N 2.99Å; L533-A536 PolarHBondContact O-N 2.76Å; A536-L539 PolarHBondContact O-N 2.88Å; A536-A540 WeakPolarHBondContact O-CB 3.43Å; A536-A540 PolarHBondContact O-N 3.01Å
537	Q	98.6	Very high	97.8	Very high	68 Å²	68	39.9 Å²	39.9	32%	0.318	22%	0.22	S	C	.	.	H	α-helix	trans	-65.5	-44.7	178.5	-167	65.8	54	0	0	111.2	L533 L539 A540 D541	L533-Q537 VanDerWaalsContact O-CB 3.25Å; L533-Q537 WeakPolarHBondContact O-CB 3.35Å; L533-Q537 PolarHBondContact O-N 3.37Å; Q537-L539 PolarHBondContact O-N 3.45Å; Q537-A540 PolarHBondContact O-N 3.42Å; Q537-A540 VanDerWaalsContact O-N 3.11Å; Q537-D541 PolarHBondContact NE2-OD1 3.36Å; Q537-D541 WeakPolarHBondContact O-CB 3.34Å; Q537-D541 PolarHBondContact O-N 2.88Å
538	A	98.4	Very high	97.6	Very high	62 Å²	62	35.8 Å²	35.8	51%	0.512	20%	0.201	S	C	.	.	H	α-helix	trans	-58.1	-39.5	174.8	0	0	0	0	0	112	A534 V535 D542	A534-A538 WeakPolarHBondContact O-CB 2.84Å; A534-A538 PolarHBondContact O-N 3.37Å; V535-A538 PolarHBondContact O-N 2.99Å; A538-D542 WeakPolarHBondContact O-CB 3.46Å; A538-D542 PolarHBondContact O-N 3.1Å
539	L	98.3	Very high	97.2	Very high	20 Å²	20	34.4 Å²	34.4	11%	0.105	20%	0.197	C	C	.	.	H	α-helix	trans	-69.1	-40.4	174.8	178.9	60.7	0	0	0	112.5	P246 V249 V535 A536 Q537 V543	P246-L539 HydrophobicContact CB-CD2 3.65Å; P246-L539 HydrophobicContact CG-CD2 4.18Å; V249-L539 HydrophobicContact CB-CD1 4.38Å; V249-L539 HydrophobicContact CB-CD2 3.97Å; V249-L539 HydrophobicContact CB-CG 4.04Å; V249-L539 HydrophobicContact CG1-CD1 4.43Å; V249-L539 HydrophobicContact CG2-CD2 4.21Å; V249-L539 HydrophobicContact CG2-CG 4Å; V535-L539 PolarHBondContact O-N 3.06Å; V535-L539 VanDerWaalsContact O-N 3.1Å; A536-L539 PolarHBondContact O-N 2.88Å; Q537-L539 PolarHBondContact O-N 3.45Å; L539-V543 VanDerWaalsContact O-CG2 3.3Å; L539-V543 WeakPolarHBondContact O-CG2 3.31Å
540	A	98.1	Very high	97	Very high	3 Å²	3	34.1 Å²	34.1	3%	0.025	20%	0.195	C	C	.	.	H	α-helix	trans	-67.6	-43.3	178.9	0	0	0	0	0	112.1	M248 H444 C447 A536 Q537 D542 V543	M248-A540 HydrophobicContact CE-CB 4.03Å; H444-A540 HydrophobicContact CB-CB 4.21Å; C447-A540 VanDerWaalsContact SG-CB 3.57Å; A536-A540 WeakPolarHBondContact O-CB 3.43Å; A536-A540 PolarHBondContact O-N 3.01Å; Q537-A540 PolarHBondContact O-N 3.42Å; Q537-A540 VanDerWaalsContact O-N 3.11Å; A540-D542 PolarHBondContact O-N 3.4Å; A540-V543 PolarHBondContact O-N 2.83Å
541	D	97.9	Very high	96.7	Very high	106 Å²	106	36.7 Å²	36.7	57%	0.567	19%	0.194	S	C	*	.	H	α-helix	trans	-66.4	-27.9	179	-66.6	-15.4	0	0	0	111.9	Q537 V543 H738	Q537-D541 PolarHBondContact NE2-OD1 3.36Å; Q537-D541 WeakPolarHBondContact O-CB 3.34Å; Q537-D541 PolarHBondContact O-N 2.88Å; D541-V543 VanDerWaalsContact C-N 3.32Å; D541-H738 PolarHBondContact O-CD2 3.39Å
542	D	98.1	Very high	96.5	Very high	35 Å²	35	34.5 Å²	34.5	19%	0.187	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-11.8	177.3	-165.4	33.7	0	0	0	113.3	A538 A540 K737 H738 S739	A538-D542 WeakPolarHBondContact O-CB 3.46Å; A538-D542 PolarHBondContact O-N 3.1Å; A540-D542 PolarHBondContact O-N 3.4Å; D542-K737 CarbonylContact O-C 3.47Å; D542-K737 WeakPolarHBondContact O-CA 3.33Å; D542-K737 WeakPolarHBondContact OD2-CD 3.28Å; D542-H738 PolarHBondContact O-N 2.75Å; D542-H738 PolarHBondContact OD1-N 2.96Å; D542-S739 VanDerWaalsContact CG-OG 3.3Å; D542-S739 WeakPolarHBondContact OD1-CA 3.36Å; D542-S739 WeakPolarHBondContact OD1-CB 3.31Å; D542-S739 PolarHBondContact OD1-N 3.28Å; D542-S739 PolarHBondContact OD1-OG 2.83Å; D542-S739 VanDerWaalsContact OD1-OG 3.1Å; D542-S739 WeakPolarHBondContact OD2-CB 3.29Å; D542-S739 PolarHBondContact OD2-OG 3.5Å
543	V	97.4	Very high	96.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	122.9	-177.3	179.1	0	0	0	0	111.6	V249 K440 L539 A540 D541 F545	V249-V543 HydrophobicContact CB-CG2 4.41Å; V249-V543 HydrophobicContact CG1-CG2 3.51Å; V249-V543 HydrophobicContact CG2-CG2 4.06Å; K440-V543 VanDerWaalsContact CE-O 3.29Å; K440-V543 WeakPolarHBondContact CE-O 3.31Å; K440-V543 PolarHBondContact NZ-O 2.79Å; L539-V543 VanDerWaalsContact O-CG2 3.3Å; L539-V543 WeakPolarHBondContact O-CG2 3.31Å; A540-V543 PolarHBondContact O-N 2.83Å; D541-V543 VanDerWaalsContact C-N 3.32Å; V543-F545 HydrophobicContact CG1-CD2 3.67Å; V543-F545 HydrophobicContact CG1-CE2 3.35Å; V543-F545 HydrophobicContact CG1-CZ 4.28Å
544	D	96.1	Very high	96	Very high	15 Å²	15	33.8 Å²	33.8	8%	0.08	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	147.7	170	-166.8	22.3	0	0	0	111.4	K440 S735 C736 H738 A745	K440-D544 IonicContact NZ-OD1 2.75Å; D544-S735 VanDerWaalsContact O-CA 3.24Å; D544-S735 WeakPolarHBondContact O-CA 3.43Å; D544-C736 PolarHBondContact N-O 3.23Å; D544-C736 PolarHBondContact O-N 3.39Å; D544-H738 VanDerWaalsContact CB-CE1 3.43Å; D544-H738 WeakPolarHBondContact CB-CE1 3.47Å; D544-H738 VanDerWaalsContact CG-CE1 3.42Å; D544-H738 IonicContact OD1-CE1 3.9Å; D544-H738 IonicContact OD1-NE2 2.96Å; D544-A745 HydrophobicContact CB-CB 4.37Å; D544-A745 VanDerWaalsContact OD2-CB 3.26Å; D544-A745 WeakPolarHBondContact OD2-CB 3.41Å; D544-A745 PolarHBondContact OD2-N 2.91Å; D544-A745 VanDerWaalsContact OD2-N 3.12Å
545	F	95.3	Very high	95.7	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	142.3	176.4	-91.6	-83.9	0	0	0	111.2	Y254 D436 A439 K440 L443 V543 V547 I734 H746	Y254-F545 AromaticContact CE1-CE1 3.8Å; Y254-F545 HydrophobicContact CE1-CE1 3.8Å; Y254-F545 AromaticContact CE1-CZ 3.91Å; Y254-F545 HydrophobicContact CE1-CZ 3.91Å; Y254-F545 WeakPolarHBondContact OH-CE1 3.33Å; D436-F545 HydrophobicContact CB-CB 4.41Å; D436-F545 VanDerWaalsContact CG-O 3.3Å; A439-F545 HydrophobicContact CB-CD1 3.96Å; A439-F545 HydrophobicContact CB-CE1 4.35Å; A439-F545 HydrophobicContact CB-CG 4.26Å; K440-F545 HydrophobicContact CD-CD2 4.32Å; K440-F545 HydrophobicContact CG-CB 4.11Å; K440-F545 HydrophobicContact CG-CD2 3.43Å; K440-F545 VanDerWaalsContact CG-CD2 3.43Å; K440-F545 HydrophobicContact CG-CE2 4.2Å; K440-F545 HydrophobicContact CG-CG 4.07Å; L443-F545 HydrophobicContact CD2-CE2 3.7Å; L443-F545 HydrophobicContact CD2-CZ 3.59Å; V543-F545 HydrophobicContact CG1-CD2 3.67Å; V543-F545 HydrophobicContact CG1-CE2 3.35Å; V543-F545 HydrophobicContact CG1-CZ 4.28Å; F545-V547 HydrophobicContact CD1-CG2 4.47Å; F545-I734 CarbonylContact C-O 3.53Å; F545-I734 VanDerWaalsContact CA-O 3.31Å; F545-I734 WeakPolarHBondContact CA-O 3.48Å; F545-I734 WeakPolarHBondContact CD1-O 3.35Å; F545-H746 PolarHBondContact O-CE1 3.36Å; F545-H746 VanDerWaalsContact O-CE1 3.28Å
546	H	96.4	Very high	95.4	Very high	18 Å²	18	30.6 Å²	30.6	8%	0.083	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	117.8	164.8	-172.8	58	0	0	0	110.3	D436 F548 I734 A745 H746	D436-H546 VanDerWaalsContact OD1-CA 3.23Å; D436-H546 WeakPolarHBondContact OD1-CA 3.49Å; D436-H546 IonicContact OD2-ND1 2.78Å; H546-F548 AromaticContact CD2-CD1 3.47Å; H546-F548 VanDerWaalsContact CD2-CD1 3.47Å; H546-F548 WeakPolarHBondContact CD2-CD1 3.35Å; H546-F548 AromaticContact CD2-CE1 3.93Å; H546-F548 AromaticContact NE2-CD1 3.4Å; H546-F548 WeakPolarHBondContact NE2-CD1 3.29Å; H546-I734 HydrophobicContact CB-CB 4.44Å; H546-I734 PolarHBondContact N-O 3.41Å; H546-I734 WeakPolarHBondContact O-CB 3.39Å; H546-I734 PolarHBondContact O-N 2.91Å; H546-A745 HydrophobicContact CB-CB 3.65Å; H546-A745 WeakPolarHBondContact CB-O 3.14Å; H546-H746 AromaticContact CE1-CD2 3.63Å; H546-H746 AromaticContact CE1-NE2 3.94Å; H546-H746 AromaticContact CG-CD2 3.89Å; H546-H746 AromaticContact CG-CG 3.95Å; H546-H746 AromaticContact ND1-CD2 3.15Å; H546-H746 PolarHBondContact ND1-CD2 3.45Å; H546-H746 AromaticContact ND1-CE1 3.67Å; H546-H746 AromaticContact ND1-CG 3.66Å; H546-H746 AromaticContact ND1-ND1 3.98Å; H546-H746 AromaticContact ND1-NE2 3.15Å; H546-H746 PolarHBondContact ND1-NE2 2.92Å; H546-H746 VanDerWaalsContact ND1-NE2 3.15Å
547	V	94.7	Very high	95.2	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.8	-177.2	-176.8	0	0	0	0	108.7	M256 L435 D436 A439 F545 F732 H733	M256-V547 HydrophobicContact CE-CG1 4.44Å; L435-V547 HydrophobicContact CB-CB 3.86Å; L435-V547 HydrophobicContact CB-CG1 4Å; L435-V547 HydrophobicContact CD1-CG1 4.1Å; D436-V547 PolarHBondContact OD1-N 2.95Å; A439-V547 HydrophobicContact CB-CG2 3.76Å; F545-V547 HydrophobicContact CD1-CG2 4.47Å; V547-F732 WeakPolarHBondContact CA-O 3.2Å; V547-H733 HydrophobicContact CG2-CB 4.42Å
548	F	93	Very high	95	Very high	12 Å²	12	31.3 Å²	31.3	5%	0.053	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	152.9	179.7	69.3	-88.6	0	0	0	113	H546 F550 F732 I734 I752	H546-F548 AromaticContact CD2-CD1 3.47Å; H546-F548 VanDerWaalsContact CD2-CD1 3.47Å; H546-F548 WeakPolarHBondContact CD2-CD1 3.35Å; H546-F548 AromaticContact CD2-CE1 3.93Å; H546-F548 AromaticContact NE2-CD1 3.4Å; H546-F548 WeakPolarHBondContact NE2-CD1 3.29Å; F548-F550 HydrophobicContact CD2-CB 4.44Å; F548-F550 HydrophobicContact CE2-CB 4.16Å; F548-F732 HydrophobicContact CD1-CB 4.17Å; F548-F732 HydrophobicContact CD2-CD2 4.48Å; F548-F732 HydrophobicContact CE1-CB 3.75Å; F548-F732 HydrophobicContact CE1-CD2 4.47Å; F548-F732 HydrophobicContact CE1-CG 4.28Å; F548-F732 HydrophobicContact CE2-CB 4.34Å; F548-F732 AromaticContact CE2-CD2 3.7Å; F548-F732 HydrophobicContact CE2-CD2 3.7Å; F548-F732 HydrophobicContact CE2-CE2 4.44Å; F548-F732 HydrophobicContact CE2-CG 4.32Å; F548-F732 HydrophobicContact CZ-CB 3.85Å; F548-F732 AromaticContact CZ-CD2 3.7Å; F548-F732 HydrophobicContact CZ-CD2 3.7Å; F548-F732 HydrophobicContact CZ-CE2 4.5Å; F548-F732 AromaticContact CZ-CG 3.89Å; F548-F732 HydrophobicContact CZ-CG 3.89Å; F548-F732 PolarHBondContact N-O 2.84Å; F548-F732 VanDerWaalsContact N-O 3.11Å; F548-F732 PolarHBondContact O-N 3.02Å; F548-I734 HydrophobicContact CE1-CD1 3.79Å; F548-I752 HydrophobicContact CZ-CG2 4.31Å
549	S	91.4	Very high	94.7	Very high	20 Å²	20	33.5 Å²	33.5	14%	0.14	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	118.2	170.1	-62.4	0	0	0	0	110.5	Q259 N731	Q259-S549 PolarHBondContact NE2-OG 2.87Å; Q259-S549 PolarHBondContact OE1-OG 3.18Å; S549-N731 VanDerWaalsContact CA-OD1 3.25Å; S549-N731 WeakPolarHBondContact CA-OD1 3.46Å; S549-N731 WeakPolarHBondContact CB-OD1 3.47Å; S549-N731 PolarHBondContact OG-OD1 3Å
550	F	93.5	Very high	94.5	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	114.2	168.9	-174.2	-96.2	0	0	0	108.9	F548 E552 F553 M729 I730 F732 R753 L756 H757	F548-F550 HydrophobicContact CD2-CB 4.44Å; F548-F550 HydrophobicContact CE2-CB 4.16Å; F550-E552 VanDerWaalsContact CD2-OE2 3.22Å; F550-E552 WeakPolarHBondContact CD2-OE2 3.43Å; F550-E552 HydrophobicContact CE1-CB 4.12Å; F550-E552 HydrophobicContact CE2-CB 4.2Å; F550-E552 HydrophobicContact CE2-CG 4.36Å; F550-E552 WeakPolarHBondContact CE2-OE2 3.36Å; F550-E552 HydrophobicContact CZ-CB 3.77Å; F550-E552 HydrophobicContact CZ-CG 4.42Å; F550-F553 VanDerWaalsContact CD1-O 3.32Å; F550-F553 WeakPolarHBondContact CD1-O 3.49Å; F550-F553 AromaticContact CE1-CD1 3.39Å; F550-F553 HydrophobicContact CE1-CD1 3.39Å; F550-F553 AromaticContact CE1-CD2 3.97Å; F550-F553 HydrophobicContact CE1-CD2 3.97Å; F550-F553 AromaticContact CE1-CE1 3.35Å; F550-F553 HydrophobicContact CE1-CE1 3.35Å; F550-F553 AromaticContact CE1-CE2 3.9Å; F550-F553 HydrophobicContact CE1-CE2 3.9Å; F550-F553 AromaticContact CE1-CG 3.73Å; F550-F553 HydrophobicContact CE1-CG 3.73Å; F550-F553 AromaticContact CE1-CZ 3.61Å; F550-F553 HydrophobicContact CE1-CZ 3.61Å; F550-F553 WeakPolarHBondContact CE1-O 3.33Å; F550-F553 AromaticContact CZ-CD1 3.59Å; F550-F553 HydrophobicContact CZ-CD1 3.59Å; F550-F553 AromaticContact CZ-CE1 3.26Å; F550-F553 HydrophobicContact CZ-CE1 3.26Å; F550-F553 HydrophobicContact CZ-CG 4.39Å; F550-F553 AromaticContact CZ-CZ 3.79Å; F550-F553 HydrophobicContact CZ-CZ 3.79Å; F550-M729 WeakPolarHBondContact O-CA 3.46Å; F550-M729 WeakPolarHBondContact O-CG 3.4Å; F550-I730 WeakPolarHBondContact CA-O 3.36Å; F550-I730 HydrophobicContact CB-CB 4.35Å; F550-I730 WeakPolarHBondContact CB-O 3.21Å; F550-I730 HydrophobicContact CD1-CD1 4.29Å; F550-I730 HydrophobicContact CD1-CG1 4.41Å; F550-I730 PolarHBondContact N-O 3.19Å; F550-I730 PolarHBondContact O-N 3.34Å; F550-F732 HydrophobicContact CB-CE2 4.41Å; F550-R753 HydrophobicContact CD2-CG 4.15Å; F550-R753 HydrophobicContact CE2-CG 4.01Å; F550-L756 HydrophobicContact CD1-CD1 4.13Å; F550-L756 HydrophobicContact CD2-CD1 3.96Å; F550-L756 HydrophobicContact CE1-CD1 4.28Å; F550-L756 HydrophobicContact CE2-CB 4.3Å; F550-L756 HydrophobicContact CE2-CD1 4.13Å; F550-L756 HydrophobicContact CG-CD1 3.97Å; F550-L756 HydrophobicContact CZ-CB 4.09Å; F550-L756 HydrophobicContact CZ-CD1 4.28Å; F550-H757 AromaticContact CE2-NE2 3.56Å; F550-H757 AromaticContact CZ-CE1 3.97Å; F550-H757 AromaticContact CZ-NE2 3.91Å
551	R	91.5	Very high	94.2	Very high	123 Å²	123	41.5 Å²	41.5	46%	0.464	20%	0.195	S	C	.	.			trans	-115.6	-6	-170.5	-53.9	-163.4	-175.7	174	15.3	113.7	Y260 F553 M729	Y260-R551 PolarHBondContact OH-NE 3.15Å; Y260-R551 PolarHBondContact OH-NH2 3.3Å; R551-F553 VanDerWaalsContact C-N 3.28Å; R551-F553 PolarHBondContact O-N 2.97Å; R551-M729 HydrophobicContact CG-CE 3.8Å; R551-M729 HydrophobicContact CG-CG 4.29Å; R551-M729 HydrophobicContact CG-SD 4.36Å
552	E	94.3	Very high	93.9	Very high	96 Å²	96	47.7 Å²	47.7	45%	0.449	21%	0.211	S	C	.	.	S	Bend	trans	-68.8	-32.1	-175.3	-63.2	88.3	152.8	0	0	110.9	F550 R753	F550-E552 VanDerWaalsContact CD2-OE2 3.22Å; F550-E552 WeakPolarHBondContact CD2-OE2 3.43Å; F550-E552 HydrophobicContact CE1-CB 4.12Å; F550-E552 HydrophobicContact CE2-CB 4.2Å; F550-E552 HydrophobicContact CE2-CG 4.36Å; F550-E552 WeakPolarHBondContact CE2-OE2 3.36Å; F550-E552 HydrophobicContact CZ-CB 3.77Å; F550-E552 HydrophobicContact CZ-CG 4.42Å; E552-R753 IonicContact OE1-CZ 2.9Å; E552-R753 IonicContact OE1-NH1 2.86Å; E552-R753 PolarHBondContact OE1-NH1 3.48Å; E552-R753 IonicContact OE2-NH1 3.95Å; E552-R753 PolarHBondContact OE2-NH1 3.33Å
553	F	94.3	Very high	93.7	Very high	8 Å²	8	46.7 Å²	46.7	4%	0.035	21%	0.206	C	C	.	.			trans	-162.2	170.3	166.3	62.6	-92.4	0	0	0	111.4	F550 R551 K557 I558 F568 N728 L756 L760	F550-F553 VanDerWaalsContact CD1-O 3.32Å; F550-F553 WeakPolarHBondContact CD1-O 3.49Å; F550-F553 AromaticContact CE1-CD1 3.39Å; F550-F553 HydrophobicContact CE1-CD1 3.39Å; F550-F553 AromaticContact CE1-CD2 3.97Å; F550-F553 HydrophobicContact CE1-CD2 3.97Å; F550-F553 AromaticContact CE1-CE1 3.35Å; F550-F553 HydrophobicContact CE1-CE1 3.35Å; F550-F553 AromaticContact CE1-CE2 3.9Å; F550-F553 HydrophobicContact CE1-CE2 3.9Å; F550-F553 AromaticContact CE1-CG 3.73Å; F550-F553 HydrophobicContact CE1-CG 3.73Å; F550-F553 AromaticContact CE1-CZ 3.61Å; F550-F553 HydrophobicContact CE1-CZ 3.61Å; F550-F553 WeakPolarHBondContact CE1-O 3.33Å; F550-F553 AromaticContact CZ-CD1 3.59Å; F550-F553 HydrophobicContact CZ-CD1 3.59Å; F550-F553 AromaticContact CZ-CE1 3.26Å; F550-F553 HydrophobicContact CZ-CE1 3.26Å; F550-F553 HydrophobicContact CZ-CG 4.39Å; F550-F553 AromaticContact CZ-CZ 3.79Å; F550-F553 HydrophobicContact CZ-CZ 3.79Å; R551-F553 VanDerWaalsContact C-N 3.28Å; R551-F553 PolarHBondContact O-N 2.97Å; F553-K557 HydrophobicContact CB-CB 3.91Å; F553-K557 HydrophobicContact CB-CD 3.97Å; F553-K557 HydrophobicContact CB-CG 4.5Å; F553-I558 HydrophobicContact CD2-CD1 4.35Å; F553-I558 HydrophobicContact CD2-CG1 4.05Å; F553-I558 HydrophobicContact CE2-CD1 4.09Å; F553-I558 HydrophobicContact CE2-CG1 3.92Å; F553-F568 AromaticContact CE2-CE1 3.9Å; F553-F568 HydrophobicContact CE2-CE1 3.9Å; F553-F568 HydrophobicContact CE2-CZ 4.19Å; F553-F568 HydrophobicContact CZ-CE1 4.05Å; F553-F568 HydrophobicContact CZ-CZ 4.16Å; F553-N728 CarbonylContact C-O 3.58Å; F553-L756 HydrophobicContact CZ-CB 3.93Å; F553-L756 WeakPolarHBondContact CZ-O 3.44Å; F553-L760 HydrophobicContact CD1-CD2 3.34Å; F553-L760 HydrophobicContact CD2-CD2 4.49Å; F553-L760 HydrophobicContact CE1-CB 3.98Å; F553-L760 HydrophobicContact CE1-CD2 3.41Å; F553-L760 VanDerWaalsContact CE1-CD2 3.41Å; F553-L760 HydrophobicContact CE1-CG 4.28Å; F553-L760 HydrophobicContact CG-CD2 3.91Å; F553-L760 HydrophobicContact CZ-CB 4.02Å; F553-L760 HydrophobicContact CZ-CD2 4.06Å
554	G	93.1	Very high	93.5	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.01	22%	0.217	C	C	.	.			trans	-142.4	-156.8	174.8	0	0	0	0	0	112.7	G556 K557 I558 E727	G554-G556 PolarHBondContact O-N 3.43Å; G554-K557 PolarHBondContact O-N 3.44Å; G554-K557 VanDerWaalsContact O-N 3.17Å; G554-I558 PolarHBondContact O-N 2.92Å; G554-E727 CarbonylContact C-O 3.37Å; G554-E727 WeakPolarHBondContact CA-O 3.13Å
555	K	91.9	Very high	93.5	Very high	37 Å²	37	48.4 Å²	48.4	16%	0.161	22%	0.219	C	C	.	.	H	α-helix	trans	-55.5	-29.2	-176.1	75.6	-170.8	-173.6	-149	0	113.3	K559 P565 F724 A726 E727	K555-K559 WeakPolarHBondContact O-CB 3.4Å; K555-K559 WeakPolarHBondContact O-CG 3.43Å; K555-K559 PolarHBondContact O-N 3.21Å; K555-P565 HydrophobicContact CB-CB 3.9Å; K555-P565 HydrophobicContact CB-CG 3.78Å; K555-F724 HydrophobicContact CB-CB 4.39Å; K555-F724 HydrophobicContact CB-CD1 3.77Å; K555-F724 HydrophobicContact CB-CE1 4.31Å; K555-F724 HydrophobicContact CB-CG 4.12Å; K555-F724 HydrophobicContact CD-CB 4.06Å; K555-A726 WeakPolarHBondContact CD-O 3.44Å; K555-A726 WeakPolarHBondContact CE-O 3.37Å; K555-A726 PolarHBondContact NZ-O 2.99Å; K555-E727 VanDerWaalsContact CE-CD 3.41Å; K555-E727 WeakPolarHBondContact CE-OE1 3.4Å; K555-E727 WeakPolarHBondContact CG-OE2 3.35Å; K555-E727 PolarHBondContact N-O 3Å; K555-E727 IonicContact NZ-OE1 3.08Å
556	G	92.8	Very high	93.6	Very high	15 Å²	15	48.8 Å²	48.8	16%	0.155	22%	0.221	C	C	.	.	H	α-helix	trans	-65.1	-45.8	-180	0	0	0	0	0	112.9	G554 K560 E727	G554-G556 PolarHBondContact O-N 3.43Å; G556-K560 WeakPolarHBondContact O-CG 3.19Å; G556-K560 PolarHBondContact O-N 3.36Å; G556-E727 WeakPolarHBondContact CA-O 3.34Å; G556-E727 WeakPolarHBondContact CA-OE2 3.42Å; G556-E727 PolarHBondContact N-O 3.46Å; G556-E727 PolarHBondContact N-OE2 2.91Å
557	K	93.6	Very high	93.6	Very high	83 Å²	83	48 Å²	48	36%	0.361	22%	0.217	S	C	.	.	H	α-helix	trans	-71.6	-38.7	177.3	-162.9	173.1	-179.2	-179.6	0	111.4	F553 G554 K559 K560 C561 L760 D764	F553-K557 HydrophobicContact CB-CB 3.91Å; F553-K557 HydrophobicContact CB-CD 3.97Å; F553-K557 HydrophobicContact CB-CG 4.5Å; G554-K557 PolarHBondContact O-N 3.44Å; G554-K557 VanDerWaalsContact O-N 3.17Å; K557-K559 PolarHBondContact O-N 2.91Å; K557-K560 WeakPolarHBondContact O-CB 3.45Å; K557-K560 PolarHBondContact O-N 3.47Å; K557-K560 VanDerWaalsContact O-N 3.15Å; K557-C561 PolarHBondContact O-N 3.08Å; K557-C561 PolarHBondContact O-SG 2.86Å; K557-L760 HydrophobicContact CD-CD1 4.01Å; K557-L760 HydrophobicContact CD-CD2 3.76Å; K557-L760 HydrophobicContact CD-CG 4.48Å; K557-L760 HydrophobicContact CG-CD1 4.08Å; K557-D764 WeakPolarHBondContact CE-OD2 3.12Å; K557-D764 IonicContact NZ-OD2 3.34Å; K557-D764 PolarHBondContact NZ-OD2 3.49Å
558	I	95.1	Very high	93.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-44.1	176.9	-60.1	164.7	0	0	0	111	F553 G554 K560 C561 V563 P565 F568 F724 I730	F553-I558 HydrophobicContact CD2-CD1 4.35Å; F553-I558 HydrophobicContact CD2-CG1 4.05Å; F553-I558 HydrophobicContact CE2-CD1 4.09Å; F553-I558 HydrophobicContact CE2-CG1 3.92Å; G554-I558 PolarHBondContact O-N 2.92Å; I558-K560 VanDerWaalsContact C-N 3.27Å; I558-K560 PolarHBondContact O-N 3.43Å; I558-C561 WeakPolarHBondContact O-CA 3.44Å; I558-C561 VanDerWaalsContact O-CB 3.28Å; I558-C561 WeakPolarHBondContact O-CB 3.49Å; I558-C561 PolarHBondContact O-N 2.78Å; I558-V563 HydrophobicContact CG2-CB 4.39Å; I558-P565 HydrophobicContact CD1-CB 4.43Å; I558-P565 HydrophobicContact CG2-CB 4.47Å; I558-P565 HydrophobicContact CG2-CG 4.5Å; I558-F568 HydrophobicContact CD1-CB 4.43Å; I558-F568 HydrophobicContact CD1-CD1 3.72Å; I558-F568 HydrophobicContact CD1-CE1 4.18Å; I558-F568 HydrophobicContact CD1-CG 4.13Å; I558-F568 HydrophobicContact CG1-CD1 4.03Å; I558-F568 HydrophobicContact CG1-CD2 4.46Å; I558-F568 HydrophobicContact CG1-CE1 4.24Å; I558-F568 HydrophobicContact CG1-CG 4.15Å; I558-F568 HydrophobicContact CG2-CB 3.63Å; I558-F568 HydrophobicContact CG2-CD1 4.45Å; I558-F568 HydrophobicContact CG2-CD2 3.91Å; I558-F568 HydrophobicContact CG2-CG 3.75Å; I558-F724 HydrophobicContact CD1-CE1 4.14Å; I558-I730 HydrophobicContact CD1-CD1 4.21Å
559	K	93	Very high	94	Very high	108 Å²	108	47.3 Å²	47.3	47%	0.47	21%	0.214	S	C	.	.	H	α-helix	trans	-60.5	-34	176.2	-75.9	170.3	-175.8	175.6	0	112.9	K555 K557 C561 R562 P565 E727	K555-K559 WeakPolarHBondContact O-CB 3.4Å; K555-K559 WeakPolarHBondContact O-CG 3.43Å; K555-K559 PolarHBondContact O-N 3.21Å; K557-K559 PolarHBondContact O-N 2.91Å; K559-C561 PolarHBondContact O-N 2.79Å; K559-R562 WeakPolarHBondContact O-CA 3.36Å; K559-R562 PolarHBondContact O-N 2.78Å; K559-P565 HydrophobicContact CG-CG 3.93Å; K559-E727 IonicContact NZ-OE1 3.62Å
560	K	93.3	Very high	94.4	Very high	177 Å²	177	46.3 Å²	46.3	77%	0.77	21%	0.207	S	C	*	.	H	α-helix	trans	-64.3	-27.7	174.8	-69.4	177.4	-177.3	-178.5	0	112.4	G556 K557 I558 R562	G556-K560 WeakPolarHBondContact O-CG 3.19Å; G556-K560 PolarHBondContact O-N 3.36Å; K557-K560 WeakPolarHBondContact O-CB 3.45Å; K557-K560 PolarHBondContact O-N 3.47Å; K557-K560 VanDerWaalsContact O-N 3.15Å; I558-K560 VanDerWaalsContact C-N 3.27Å; I558-K560 PolarHBondContact O-N 3.43Å; K560-R562 PolarHBondContact O-N 3.41Å
561	C	92.3	Very high	94.6	Very high	15 Å²	15	46.4 Å²	46.4	10%	0.101	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-0.3	171.6	-54.9	0	0	0	0	113.1	K557 I558 K559 L763	K557-C561 PolarHBondContact O-N 3.08Å; K557-C561 PolarHBondContact O-SG 2.86Å; I558-C561 WeakPolarHBondContact O-CA 3.44Å; I558-C561 VanDerWaalsContact O-CB 3.28Å; I558-C561 WeakPolarHBondContact O-CB 3.49Å; I558-C561 PolarHBondContact O-N 2.78Å; K559-C561 PolarHBondContact O-N 2.79Å; C561-L763 HydrophobicContact CB-CB 4.2Å; C561-L763 HydrophobicContact CB-CD1 4.45Å
562	R	91.6	Very high	95	Very high	235 Å²	235	40.5 Å²	40.5	89%	0.887	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	36.9	-177.8	-53.9	-178.4	179.5	-177.8	0	113.7	K559 K560	K559-R562 WeakPolarHBondContact O-CA 3.36Å; K559-R562 PolarHBondContact O-N 2.78Å; K560-R562 PolarHBondContact O-N 3.41Å
563	V	93	Very high	95.2	Very high	14 Å²	14	36 Å²	36	9%	0.085	16%	0.164	C	C	.	.	S	Bend	trans	-123.2	147.4	-179.9	179.6	0	0	0	0	109.3	I558 F568 F631 L763	I558-V563 HydrophobicContact CG2-CB 4.39Å; V563-F568 HydrophobicContact CG1-CB 4.11Å; V563-F631 HydrophobicContact CB-CE1 4.41Å; V563-F631 HydrophobicContact CG1-CE1 3.78Å; V563-F631 HydrophobicContact CG1-CZ 4.08Å; V563-F631 HydrophobicContact CG2-CE1 3.79Å; V563-L763 HydrophobicContact CG2-CD1 4.28Å
564	S	94.1	Very high	95.4	Very high	33 Å²	33	35.7 Å²	35.7	23%	0.231	16%	0.163	C	C	.	.			trans	-63.4	126.8	170.9	175.5	0	0	0	0	109.8	D566 A567 F568 Q639	S564-D566 PolarHBondContact O-N 3.4Å; S564-A567 PolarHBondContact O-N 3.49Å; S564-F568 PolarHBondContact O-N 3.13Å; S564-Q639 VanDerWaalsContact CB-CD 3.41Å; S564-Q639 PolarHBondContact OG-NE2 3.44Å
565	P	95.9	Very high	95.7	Very high	19 Å²	19	35.6 Å²	35.6	12%	0.123	16%	0.162	C	C	.	.	H	α-helix	trans	-52.8	-41.6	176.8	-28.2	36	0	0	0	113.3	K555 I558 K559 F568 V569 F724	K555-P565 HydrophobicContact CB-CB 3.9Å; K555-P565 HydrophobicContact CB-CG 3.78Å; I558-P565 HydrophobicContact CD1-CB 4.43Å; I558-P565 HydrophobicContact CG2-CB 4.47Å; I558-P565 HydrophobicContact CG2-CG 4.5Å; K559-P565 HydrophobicContact CG-CG 3.93Å; P565-F568 WeakPolarHBondContact O-CB 3.25Å; P565-F568 PolarHBondContact O-N 3.38Å; P565-V569 PolarHBondContact O-N 3.47Å; P565-V569 VanDerWaalsContact O-N 3.08Å; P565-F724 VanDerWaalsContact C-CZ 3.47Å; P565-F724 HydrophobicContact CB-CD1 4.39Å; P565-F724 HydrophobicContact CB-CD2 4.47Å; P565-F724 HydrophobicContact CB-CE1 3.75Å; P565-F724 HydrophobicContact CB-CE2 3.84Å; P565-F724 HydrophobicContact CB-CZ 3.45Å; P565-F724 VanDerWaalsContact CB-CZ 3.45Å; P565-F724 WeakPolarHBondContact O-CZ 3.27Å
566	D	95.9	Very high	96	Very high	9 Å²	9	33.9 Å²	33.9	5%	0.048	15%	0.154	C	C	.	.	H	α-helix	trans	-66.2	-48.5	-179.5	-175.1	53.8	0	0	0	112.1	S564 F568 V569 Q570 H638 Q686 Y722	S564-D566 PolarHBondContact O-N 3.4Å; D566-F568 VanDerWaalsContact C-N 3.28Å; D566-F568 PolarHBondContact O-N 3.5Å; D566-V569 PolarHBondContact O-N 3.49Å; D566-Q570 WeakPolarHBondContact O-CG 3.4Å; D566-Q570 PolarHBondContact O-N 3.39Å; D566-H638 IonicContact OD2-CE1 2.87Å; D566-H638 PolarHBondContact OD2-CE1 3.46Å; D566-Q686 PolarHBondContact OD1-OE1 2.96Å; D566-Y722 WeakPolarHBondContact OD1-CE2 3.39Å; D566-Y722 PolarHBondContact OD1-OH 3.4Å
567	A	97.4	Very high	96.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.1	-38	174.6	0	0	0	0	0	112.3	S564 Q570 M571 H638 Q639	S564-A567 PolarHBondContact O-N 3.49Å; A567-Q570 PolarHBondContact O-N 3.21Å; A567-M571 VanDerWaalsContact O-CG 3.28Å; A567-M571 WeakPolarHBondContact O-CG 3.48Å; A567-M571 PolarHBondContact O-N 2.64Å; A567-H638 WeakPolarHBondContact CA-ND1 3.31Å; A567-H638 HydrophobicContact CB-CB 4.29Å; A567-H638 WeakPolarHBondContact CB-ND1 3.37Å; A567-Q639 HydrophobicContact CB-CG 4.13Å
568	F	98.3	Very high	96.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.9	-47.1	176.4	-178	-81.6	0	0	0	111.6	F553 I558 V563 S564 P565 D566 M571 A572 F631 L756 L759 L760 L763	F553-F568 AromaticContact CE2-CE1 3.9Å; F553-F568 HydrophobicContact CE2-CE1 3.9Å; F553-F568 HydrophobicContact CE2-CZ 4.19Å; F553-F568 HydrophobicContact CZ-CE1 4.05Å; F553-F568 HydrophobicContact CZ-CZ 4.16Å; I558-F568 HydrophobicContact CD1-CB 4.43Å; I558-F568 HydrophobicContact CD1-CD1 3.72Å; I558-F568 HydrophobicContact CD1-CE1 4.18Å; I558-F568 HydrophobicContact CD1-CG 4.13Å; I558-F568 HydrophobicContact CG1-CD1 4.03Å; I558-F568 HydrophobicContact CG1-CD2 4.46Å; I558-F568 HydrophobicContact CG1-CE1 4.24Å; I558-F568 HydrophobicContact CG1-CG 4.15Å; I558-F568 HydrophobicContact CG2-CB 3.63Å; I558-F568 HydrophobicContact CG2-CD1 4.45Å; I558-F568 HydrophobicContact CG2-CD2 3.91Å; I558-F568 HydrophobicContact CG2-CG 3.75Å; V563-F568 HydrophobicContact CG1-CB 4.11Å; S564-F568 PolarHBondContact O-N 3.13Å; P565-F568 WeakPolarHBondContact O-CB 3.25Å; P565-F568 PolarHBondContact O-N 3.38Å; D566-F568 VanDerWaalsContact C-N 3.28Å; D566-F568 PolarHBondContact O-N 3.5Å; F568-M571 PolarHBondContact O-N 3.49Å; F568-A572 PolarHBondContact O-N 3.02Å; F568-F631 AromaticContact CD2-CZ 3.84Å; F568-F631 HydrophobicContact CD2-CZ 3.84Å; F568-L756 HydrophobicContact CD1-CD2 4.1Å; F568-L756 HydrophobicContact CE1-CD2 3.67Å; F568-L759 HydrophobicContact CD2-CB 4.5Å; F568-L759 HydrophobicContact CE1-CB 4.26Å; F568-L759 HydrophobicContact CE1-CD1 4.39Å; F568-L759 HydrophobicContact CE2-CB 3.6Å; F568-L759 HydrophobicContact CE2-CD1 4.43Å; F568-L759 HydrophobicContact CZ-CB 3.45Å; F568-L759 VanDerWaalsContact CZ-CB 3.45Å; F568-L759 HydrophobicContact CZ-CD1 4.29Å; F568-L760 HydrophobicContact CZ-CB 4.38Å; F568-L763 HydrophobicContact CD2-CD1 3.98Å; F568-L763 HydrophobicContact CE2-CD1 3.77Å
569	V	98.4	Very high	96.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.6	-44.5	177	172.4	0	0	0	0	110.4	P565 D566 M571 A572 L573 Y722 F724 I730 F732 L756	P565-V569 PolarHBondContact O-N 3.47Å; P565-V569 VanDerWaalsContact O-N 3.08Å; D566-V569 PolarHBondContact O-N 3.49Å; V569-M571 VanDerWaalsContact C-N 3.32Å; V569-M571 PolarHBondContact O-N 2.8Å; V569-A572 CarbonylContact O-C 3.54Å; V569-A572 WeakPolarHBondContact O-CA 3.38Å; V569-A572 VanDerWaalsContact O-CB 3.28Å; V569-A572 WeakPolarHBondContact O-CB 3.37Å; V569-A572 PolarHBondContact O-N 3.48Å; V569-L573 HydrophobicContact CG1-CD1 4.36Å; V569-L573 HydrophobicContact CG1-CG 4.33Å; V569-L573 WeakPolarHBondContact O-CG 3.31Å; V569-L573 PolarHBondContact O-N 3.48Å; V569-Y722 HydrophobicContact CB-CD2 4.38Å; V569-Y722 HydrophobicContact CB-CE2 4.13Å; V569-Y722 HydrophobicContact CG1-CD1 3.86Å; V569-Y722 HydrophobicContact CG1-CD2 3.85Å; V569-Y722 HydrophobicContact CG1-CE1 3.87Å; V569-Y722 HydrophobicContact CG1-CE2 3.87Å; V569-Y722 HydrophobicContact CG1-CG 3.85Å; V569-F724 HydrophobicContact CG2-CE1 3.99Å; V569-F724 HydrophobicContact CG2-CZ 3.61Å; V569-I730 HydrophobicContact CG2-CD1 4.27Å; V569-F732 HydrophobicContact CG1-CE1 3.82Å; V569-F732 HydrophobicContact CG1-CZ 3.98Å; V569-F732 HydrophobicContact CG2-CZ 4.49Å; V569-L756 HydrophobicContact CG2-CD2 4.47Å
570	Q	98.6	Very high	96.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.3	-39.5	177.9	-72.4	-72.6	-21.2	0	0	112.3	D566 A567 L573 Q574 E589 S606 H638 T684 Y722	D566-Q570 WeakPolarHBondContact O-CG 3.4Å; D566-Q570 PolarHBondContact O-N 3.39Å; A567-Q570 PolarHBondContact O-N 3.21Å; Q570-L573 PolarHBondContact O-N 2.91Å; Q570-Q574 WeakPolarHBondContact O-CG 3.2Å; Q570-Q574 PolarHBondContact O-N 3.47Å; Q570-E589 WeakPolarHBondContact CG-OE1 3.32Å; Q570-E589 VanDerWaalsContact NE2-CD 3.33Å; Q570-E589 PolarHBondContact NE2-OE1 3.17Å; Q570-S606 VanDerWaalsContact OE1-CB 3.22Å; Q570-S606 PolarHBondContact OE1-OG 2.9Å; Q570-H638 WeakPolarHBondContact CG-NE2 3.48Å; Q570-T684 PolarHBondContact NE2-OG1 2.88Å; Q570-Y722 PolarHBondContact NE2-OH 3.47Å
571	M	98.7	Very high	96.8	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-67.4	-35.9	172.5	-66	-53.8	93.3	0	0	112.5	A567 F568 V569 L573 Q574 L575 S611 F631 A634 H638 L759	A567-M571 VanDerWaalsContact O-CG 3.28Å; A567-M571 WeakPolarHBondContact O-CG 3.48Å; A567-M571 PolarHBondContact O-N 2.64Å; F568-M571 PolarHBondContact O-N 3.49Å; V569-M571 VanDerWaalsContact C-N 3.32Å; V569-M571 PolarHBondContact O-N 2.8Å; M571-L573 VanDerWaalsContact C-N 3.3Å; M571-L573 PolarHBondContact O-N 3.29Å; M571-Q574 HydrophobicContact CE-CG 4.25Å; M571-Q574 PolarHBondContact O-N 3.05Å; M571-L575 PolarHBondContact O-N 3.5Å; M571-S611 WeakPolarHBondContact SD-CB 3.2Å; M571-F631 HydrophobicContact CB-CD2 4.43Å; M571-F631 HydrophobicContact CB-CE2 3.78Å; M571-F631 HydrophobicContact CG-CE2 4.03Å; M571-A634 HydrophobicContact SD-CB 3.53Å; M571-A634 VanDerWaalsContact SD-CB 3.53Å; M571-H638 HydrophobicContact CE-CB 4.38Å; M571-L759 HydrophobicContact CB-CD1 4.35Å
572	A	98.7	Very high	96.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.8	-40.7	173.2	0	0	0	0	0	111.3	F568 V569 L575 A576 A755 L756 L759	F568-A572 PolarHBondContact O-N 3.02Å; V569-A572 CarbonylContact O-C 3.54Å; V569-A572 WeakPolarHBondContact O-CA 3.38Å; V569-A572 VanDerWaalsContact O-CB 3.28Å; V569-A572 WeakPolarHBondContact O-CB 3.37Å; V569-A572 PolarHBondContact O-N 3.48Å; A572-L575 PolarHBondContact O-N 3.29Å; A572-A576 VanDerWaalsContact O-CB 3.26Å; A572-A576 WeakPolarHBondContact O-CB 3.46Å; A572-A576 PolarHBondContact O-N 3.29Å; A572-A755 HydrophobicContact CB-CB 4.18Å; A572-A755 WeakPolarHBondContact O-CB 3.38Å; A572-L756 HydrophobicContact CB-CD2 3.77Å; A572-L756 HydrophobicContact CB-CG 4.24Å; A572-L759 HydrophobicContact CB-CD1 3.68Å
573	L	98.8	Very high	97.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.4	-40.7	176.2	-63.9	179.4	0	0	0	111.9	V569 Q570 M571 A576 Y577 L682 T684 V720 Y722 I752	V569-L573 HydrophobicContact CG1-CD1 4.36Å; V569-L573 HydrophobicContact CG1-CG 4.33Å; V569-L573 WeakPolarHBondContact O-CG 3.31Å; V569-L573 PolarHBondContact O-N 3.48Å; Q570-L573 PolarHBondContact O-N 2.91Å; M571-L573 VanDerWaalsContact C-N 3.3Å; M571-L573 PolarHBondContact O-N 3.29Å; L573-A576 PolarHBondContact O-N 3.24Å; L573-Y577 VanDerWaalsContact O-CB 3.32Å; L573-Y577 WeakPolarHBondContact O-CB 3.48Å; L573-Y577 PolarHBondContact O-N 2.86Å; L573-L682 HydrophobicContact CB-CD2 4.26Å; L573-T684 HydrophobicContact CD1-CG2 3.84Å; L573-V720 HydrophobicContact CD1-CG1 4.32Å; L573-V720 HydrophobicContact CD2-CG1 4.06Å; L573-Y722 HydrophobicContact CD1-CD1 4.49Å; L573-Y722 HydrophobicContact CD1-CE1 4.22Å; L573-I752 HydrophobicContact CD2-CD1 3.5Å; L573-I752 VanDerWaalsContact CD2-CD1 3.5Å; L573-I752 HydrophobicContact CD2-CG1 3.79Å; L573-I752 HydrophobicContact CD2-CG2 4.45Å
574	Q	98.8	Very high	97.3	Very high	2 Å²	2	19 Å²	19	1%	0.009	11%	0.109	C	C	.	.	H	α-helix	trans	-62.6	-43.9	174.7	-64	-51.6	-69.8	0	0	111.9	Q570 M571 F578 T587 C607 V615	Q570-Q574 WeakPolarHBondContact O-CG 3.2Å; Q570-Q574 PolarHBondContact O-N 3.47Å; M571-Q574 HydrophobicContact CE-CG 4.25Å; M571-Q574 PolarHBondContact O-N 3.05Å; Q574-F578 WeakPolarHBondContact O-CB 3.33Å; Q574-F578 PolarHBondContact O-N 3.41Å; Q574-T587 PolarHBondContact NE2-OG1 2.91Å; Q574-C607 VanDerWaalsContact OE1-CB 3.23Å; Q574-V615 HydrophobicContact CB-CG2 4.15Å
575	L	98.8	Very high	97.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-64.6	-46.2	176.9	179.2	59.3	0	0	0	111.7	M571 A572 Y577 F578 R579 V615 L618 E619 A755 L759	M571-L575 PolarHBondContact O-N 3.5Å; A572-L575 PolarHBondContact O-N 3.29Å; L575-Y577 VanDerWaalsContact C-N 3.34Å; L575-Y577 PolarHBondContact O-N 2.85Å; L575-F578 PolarHBondContact O-N 2.95Å; L575-R579 HydrophobicContact CD1-CG 4.42Å; L575-R579 WeakPolarHBondContact O-CG 3.48Å; L575-R579 PolarHBondContact O-N 3.04Å; L575-V615 HydrophobicContact CB-CG2 4.2Å; L575-V615 HydrophobicContact CD1-CG1 4.03Å; L575-V615 HydrophobicContact CD1-CG2 4.47Å; L575-L618 HydrophobicContact CD1-CD2 4.13Å; L575-L618 HydrophobicContact CD2-CD2 3.63Å; L575-E619 HydrophobicContact CD1-CG 3.95Å; L575-A755 HydrophobicContact CB-CB 4.21Å; L575-A755 HydrophobicContact CD2-CB 3.88Å; L575-A755 HydrophobicContact CG-CB 4.1Å; L575-L759 HydrophobicContact CD2-CD2 4.28Å; L575-L759 HydrophobicContact CD2-CG 4.43Å
576	A	98.7	Very high	97.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.8	-43.6	178.1	0	0	0	0	0	111.5	A572 L573 R579 D580 F748 K751 I752 A755	A572-A576 VanDerWaalsContact O-CB 3.26Å; A572-A576 WeakPolarHBondContact O-CB 3.46Å; A572-A576 PolarHBondContact O-N 3.29Å; L573-A576 PolarHBondContact O-N 3.24Å; A576-R579 PolarHBondContact O-N 3.49Å; A576-D580 WeakPolarHBondContact O-CB 3.39Å; A576-D580 PolarHBondContact O-N 3.26Å; A576-F748 HydrophobicContact CB-CD2 4.48Å; A576-F748 HydrophobicContact CB-CE2 3.87Å; A576-F748 HydrophobicContact CB-CZ 4.46Å; A576-K751 HydrophobicContact CB-CB 3.9Å; A576-I752 HydrophobicContact CB-CB 4.45Å; A576-I752 HydrophobicContact CB-CG1 3.71Å; A576-A755 HydrophobicContact CB-CB 4.29Å
577	Y	98.4	Very high	97.6	Very high	5 Å²	5	16.9 Å²	16.9	2%	0.02	9%	0.094	C	C	.	.	H	α-helix	trans	-65.7	-43.2	179.8	-171.5	-84.8	0	0	0	111.4	L573 L575 R579 D580 R581 T583 C585 L682 Y718 F748	L573-Y577 VanDerWaalsContact O-CB 3.32Å; L573-Y577 WeakPolarHBondContact O-CB 3.48Å; L573-Y577 PolarHBondContact O-N 2.86Å; L575-Y577 VanDerWaalsContact C-N 3.34Å; L575-Y577 PolarHBondContact O-N 2.85Å; Y577-R579 VanDerWaalsContact C-N 3.33Å; Y577-R579 PolarHBondContact O-N 3.24Å; Y577-D580 PolarHBondContact O-N 3.48Å; Y577-R581 HydrophobicContact CD1-CB 4.22Å; Y577-R581 HydrophobicContact CD1-CG 4.21Å; Y577-R581 HydrophobicContact CD2-CG 4.32Å; Y577-R581 HydrophobicContact CE1-CB 3.82Å; Y577-R581 HydrophobicContact CE1-CG 3.79Å; Y577-R581 HydrophobicContact CE2-CG 3.92Å; Y577-R581 HydrophobicContact CG-CG 4.45Å; Y577-R581 WeakPolarHBondContact O-CB 3.46Å; Y577-R581 PolarHBondContact O-N 3.18Å; Y577-T583 WeakPolarHBondContact CD1-O 3.14Å; Y577-C585 HydrophobicContact CD1-CB 4.35Å; Y577-C585 HydrophobicContact CE1-CB 3.5Å; Y577-C585 WeakPolarHBondContact CE1-SG 3.44Å; Y577-C585 HydrophobicContact CE2-CB 4.42Å; Y577-C585 VanDerWaalsContact CE2-SG 3.58Å; Y577-C585 WeakPolarHBondContact OH-CB 3.43Å; Y577-L682 HydrophobicContact CD2-CD2 4.4Å; Y577-Y718 HydrophobicContact CD2-CD2 4.15Å; Y577-Y718 HydrophobicContact CD2-CE2 4.34Å; Y577-Y718 HydrophobicContact CE2-CD2 4.01Å; Y577-Y718 HydrophobicContact CE2-CE2 4.2Å; Y577-F748 HydrophobicContact CD2-CE2 4.39Å; Y577-F748 HydrophobicContact CD2-CZ 4.41Å
578	F	98.3	Very high	97.6	Very high	35 Å²	35	18.7 Å²	18.7	15%	0.154	10%	0.101	C	C	.	.	H	α-helix	trans	-62.9	-39	176.4	-173.9	-95.3	0	0	0	112.3	Q574 L575 D580 G582 F584 V615 E619	Q574-F578 WeakPolarHBondContact O-CB 3.33Å; Q574-F578 PolarHBondContact O-N 3.41Å; L575-F578 PolarHBondContact O-N 2.95Å; F578-D580 VanDerWaalsContact C-N 3.29Å; F578-D580 PolarHBondContact O-N 3.29Å; F578-G582 WeakPolarHBondContact CE2-O 3.45Å; F578-G582 WeakPolarHBondContact O-CA 3.42Å; F578-G582 PolarHBondContact O-N 2.98Å; F578-F584 HydrophobicContact CB-CE1 4.3Å; F578-F584 HydrophobicContact CD2-CD1 4.3Å; F578-F584 HydrophobicContact CD2-CD2 4.1Å; F578-F584 AromaticContact CD2-CE1 3.83Å; F578-F584 HydrophobicContact CD2-CE1 3.83Å; F578-F584 AromaticContact CD2-CE2 3.58Å; F578-F584 HydrophobicContact CD2-CE2 3.58Å; F578-F584 HydrophobicContact CD2-CG 4.42Å; F578-F584 AromaticContact CD2-CZ 3.44Å; F578-F584 HydrophobicContact CD2-CZ 3.44Å; F578-F584 VanDerWaalsContact CD2-CZ 3.44Å; F578-F584 HydrophobicContact CE2-CD2 4.24Å; F578-F584 AromaticContact CE2-CE2 3.57Å; F578-F584 HydrophobicContact CE2-CE2 3.57Å; F578-F584 AromaticContact CE2-CZ 3.78Å; F578-F584 HydrophobicContact CE2-CZ 3.78Å; F578-F584 HydrophobicContact CG-CE1 4.3Å; F578-F584 HydrophobicContact CG-CZ 4.11Å; F578-V615 HydrophobicContact CB-CG1 3.55Å; F578-V615 HydrophobicContact CD1-CG1 3.64Å; F578-V615 HydrophobicContact CD2-CG1 4.27Å; F578-V615 HydrophobicContact CE1-CG1 4.42Å; F578-V615 HydrophobicContact CG-CG1 3.54Å; F578-E619 HydrophobicContact CD1-CG 4.04Å; F578-E619 HydrophobicContact CE1-CB 4.25Å; F578-E619 HydrophobicContact CE1-CG 4.17Å
579	R	97.5	Very high	97.6	Very high	59 Å²	59	18.7 Å²	18.7	22%	0.223	10%	0.102	C	C	.	.	H	α-helix	trans	-68.7	-26.5	175.2	-75.1	172.6	173	179.9	-3.2	114.1	L575 A576 Y577 E619 K751 D758	L575-R579 HydrophobicContact CD1-CG 4.42Å; L575-R579 WeakPolarHBondContact O-CG 3.48Å; L575-R579 PolarHBondContact O-N 3.04Å; A576-R579 PolarHBondContact O-N 3.49Å; Y577-R579 VanDerWaalsContact C-N 3.33Å; Y577-R579 PolarHBondContact O-N 3.24Å; R579-E619 WeakPolarHBondContact CG-OE2 3.3Å; R579-E619 IonicContact CZ-OE1 3.13Å; R579-E619 IonicContact NE-OE1 3.33Å; R579-E619 PolarHBondContact NE-OE1 2.97Å; R579-E619 IonicContact NE-OE2 3.44Å; R579-E619 IonicContact NH2-OE1 2.66Å; R579-E619 PolarHBondContact NH2-OE1 3.3Å; R579-K751 HydrophobicContact CB-CD 4.25Å; R579-D758 IonicContact CZ-OD2 3.61Å; R579-D758 IonicContact NH1-OD2 3.69Å; R579-D758 PolarHBondContact NH1-OD2 2.95Å; R579-D758 IonicContact NH2-OD2 2.76Å; R579-D758 PolarHBondContact NH2-OD2 3.38Å
580	D	95.6	Very high	97.5	Very high	41 Å²	41	20.1 Å²	20.1	22%	0.219	11%	0.113	C	C	.	.	H	α-helix	trans	-83.5	-43.9	178.7	-170	58.3	0	0	0	111.4	A576 Y577 F578 Y718 F748 K751	A576-D580 WeakPolarHBondContact O-CB 3.39Å; A576-D580 PolarHBondContact O-N 3.26Å; Y577-D580 PolarHBondContact O-N 3.48Å; F578-D580 VanDerWaalsContact C-N 3.29Å; F578-D580 PolarHBondContact O-N 3.29Å; D580-Y718 PolarHBondContact OD2-OH 3.23Å; D580-F748 HydrophobicContact CB-CD2 4.2Å; D580-K751 HydrophobicContact CB-CG 4.46Å
581	R	94.7	Very high	97.4	Very high	46 Å²	46	20.2 Å²	20.2	17%	0.174	11%	0.114	C	C	.	.	H	α-helix	trans	-109	-15.6	-168.6	-59.4	-64.1	-66.9	-118.7	-9.8	114.8	Y577 T583 D716 Q742 T743	Y577-R581 HydrophobicContact CD1-CB 4.22Å; Y577-R581 HydrophobicContact CD1-CG 4.21Å; Y577-R581 HydrophobicContact CD2-CG 4.32Å; Y577-R581 HydrophobicContact CE1-CB 3.82Å; Y577-R581 HydrophobicContact CE1-CG 3.79Å; Y577-R581 HydrophobicContact CE2-CG 3.92Å; Y577-R581 HydrophobicContact CG-CG 4.45Å; Y577-R581 WeakPolarHBondContact O-CB 3.46Å; Y577-R581 PolarHBondContact O-N 3.18Å; R581-T583 PolarHBondContact O-N 3.24Å; R581-D716 PolarHBondContact NH1-O 3.02Å; R581-Q742 WeakPolarHBondContact CD-O 3.33Å; R581-Q742 VanDerWaalsContact CZ-CB 3.46Å; R581-Q742 VanDerWaalsContact NH1-CB 3.28Å; R581-Q742 PolarHBondContact NH1-O 3.39Å; R581-T743 VanDerWaalsContact NH1-CG2 3.32Å
582	G	94.9	Very high	97.1	Very high	50 Å²	50	22.3 Å²	22.3	52%	0.515	12%	0.124	S	C	.	.	S	Bend	trans	70.1	0.7	-174.1	0	0	0	0	0	114.6	F578	F578-G582 WeakPolarHBondContact CE2-O 3.45Å; F578-G582 WeakPolarHBondContact O-CA 3.42Å; F578-G582 PolarHBondContact O-N 2.98Å
583	T	95.4	Very high	97	Very high	80 Å²	80	22.6 Å²	22.6	49%	0.491	13%	0.126	S	C	.	.	S	Bend	trans	-134.9	167.2	-177.8	66.4	0	0	0	0	111.2	Y577 R581	Y577-T583 WeakPolarHBondContact CD1-O 3.14Å; R581-T583 PolarHBondContact O-N 3.24Å
584	F	97.3	Very high	96.9	Very high	20 Å²	20	23.1 Å²	23.1	9%	0.088	13%	0.128	C	C	.	.			trans	-93	155.9	169.8	-64.3	-76.4	0	0	0	110.5	L192 F578 V615 R616	L192-F584 HydrophobicContact CD2-CB 4.13Å; F578-F584 HydrophobicContact CB-CE1 4.3Å; F578-F584 HydrophobicContact CD2-CD1 4.3Å; F578-F584 HydrophobicContact CD2-CD2 4.1Å; F578-F584 AromaticContact CD2-CE1 3.83Å; F578-F584 HydrophobicContact CD2-CE1 3.83Å; F578-F584 AromaticContact CD2-CE2 3.58Å; F578-F584 HydrophobicContact CD2-CE2 3.58Å; F578-F584 HydrophobicContact CD2-CG 4.42Å; F578-F584 AromaticContact CD2-CZ 3.44Å; F578-F584 HydrophobicContact CD2-CZ 3.44Å; F578-F584 VanDerWaalsContact CD2-CZ 3.44Å; F578-F584 HydrophobicContact CE2-CD2 4.24Å; F578-F584 AromaticContact CE2-CE2 3.57Å; F578-F584 HydrophobicContact CE2-CE2 3.57Å; F578-F584 AromaticContact CE2-CZ 3.78Å; F578-F584 HydrophobicContact CE2-CZ 3.78Å; F578-F584 HydrophobicContact CG-CE1 4.3Å; F578-F584 HydrophobicContact CG-CZ 4.11Å; F584-V615 HydrophobicContact CE1-CB 3.94Å; F584-V615 HydrophobicContact CE1-CG1 3.92Å; F584-V615 HydrophobicContact CE1-CG2 4.38Å; F584-V615 HydrophobicContact CZ-CB 3.98Å; F584-V615 HydrophobicContact CZ-CG1 3.9Å; F584-R616 HydrophobicContact CE2-CG 4.07Å; F584-R616 HydrophobicContact CZ-CG 4.12Å
585	C	96.9	Very high	96.8	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.02	13%	0.128	C	C	.	.			trans	-137.9	161.5	176.3	74.8	0	0	0	0	112.3	L192 Y577 T587 C607 R681	L192-C585 VanDerWaalsContact CD2-C 3.45Å; Y577-C585 HydrophobicContact CD1-CB 4.35Å; Y577-C585 HydrophobicContact CE1-CB 3.5Å; Y577-C585 WeakPolarHBondContact CE1-SG 3.44Å; Y577-C585 HydrophobicContact CE2-CB 4.42Å; Y577-C585 VanDerWaalsContact CE2-SG 3.58Å; Y577-C585 WeakPolarHBondContact OH-CB 3.43Å; C585-T587 PolarHBondContact O-N 2.96Å; C585-T587 VanDerWaalsContact O-N 3.08Å; C585-T587 PolarHBondContact O-OG1 3.44Å; C585-C607 WeakPolarHBondContact O-CB 3.33Å; C585-R681 HydrophobicContact CB-CB 3.89Å
586	L	97	Very high	96.7	Very high	11 Å²	11	23.3 Å²	23.3	6%	0.058	13%	0.129	C	C	.	.			trans	-64.7	112.4	172.5	-170.6	68.9	0	0	0	109.2	L192 V678 W680 R681	L192-L586 HydrophobicContact CD1-CB 3.98Å; L192-L586 HydrophobicContact CD1-CD1 3.72Å; L192-L586 HydrophobicContact CD1-CG 4.44Å; L586-V678 HydrophobicContact CB-CG1 4.12Å; L586-V678 HydrophobicContact CD2-CB 4.13Å; L586-V678 HydrophobicContact CD2-CG1 3.87Å; L586-W680 HydrophobicContact CB-CE3 4.36Å; L586-W680 HydrophobicContact CD1-CE3 4.29Å; L586-W680 HydrophobicContact CD1-CH2 4.13Å; L586-W680 HydrophobicContact CD1-CZ3 3.71Å; L586-W680 HydrophobicContact CD2-CD2 3.76Å; L586-W680 HydrophobicContact CD2-CE3 3.52Å; L586-W680 HydrophobicContact CD2-CH2 3.78Å; L586-W680 HydrophobicContact CD2-CZ2 3.98Å; L586-W680 HydrophobicContact CD2-CZ3 3.57Å; L586-W680 HydrophobicContact CG-CD2 4.14Å; L586-W680 HydrophobicContact CG-CE3 3.39Å; L586-W680 HydrophobicContact CG-CH2 3.97Å; L586-W680 HydrophobicContact CG-CZ3 3.32Å; L586-R681 PolarHBondContact O-N 3.41Å
587	T	98.4	Very high	96.6	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.1	-178	-57.1	0	0	0	0	110.4	Q574 C585 R605 S606 L682 T684	Q574-T587 PolarHBondContact NE2-OG1 2.91Å; C585-T587 PolarHBondContact O-N 2.96Å; C585-T587 VanDerWaalsContact O-N 3.08Å; C585-T587 PolarHBondContact O-OG1 3.44Å; T587-R605 WeakPolarHBondContact O-CA 3.25Å; T587-S606 PolarHBondContact O-N 3.36Å; T587-L682 CarbonylContact C-O 3.56Å; T587-L682 VanDerWaalsContact CA-O 3.31Å; T587-L682 WeakPolarHBondContact CA-O 3.46Å; T587-L682 HydrophobicContact CG2-CB 4.08Å; T587-L682 HydrophobicContact CG2-CD2 3.79Å; T587-L682 HydrophobicContact CG2-CG 3.87Å; T587-T684 HydrophobicContact CG2-CG2 4.21Å
588	Y	98.4	Very high	96.5	Very high	38 Å²	38	30.3 Å²	30.3	15%	0.149	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	131.1	173.2	-179	-83.7	0	0	0	109.6	A590 T603 R653 W680 L682 T684	Y588-A590 HydrophobicContact CE1-CB 3.91Å; Y588-T603 HydrophobicContact CD2-CG2 3.43Å; Y588-T603 VanDerWaalsContact CD2-CG2 3.43Å; Y588-T603 WeakPolarHBondContact CD2-OG1 3.46Å; Y588-T603 HydrophobicContact CE2-CG2 3.83Å; Y588-T603 WeakPolarHBondContact CE2-OG1 3.49Å; Y588-T603 HydrophobicContact CG-CG2 4.08Å; Y588-R653 PolarHBondContact OH-NH2 2.9Å; Y588-R653 VanDerWaalsContact OH-NH2 3.08Å; Y588-W680 VanDerWaalsContact CB-CE3 3.45Å; Y588-W680 HydrophobicContact CD2-CD2 4.12Å; Y588-W680 HydrophobicContact CD2-CE3 4.26Å; Y588-W680 HydrophobicContact CD2-CZ2 4.4Å; Y588-W680 HydrophobicContact CD2-CZ3 4.43Å; Y588-W680 HydrophobicContact CG-CD2 4.46Å; Y588-W680 HydrophobicContact CG-CE3 4.37Å; Y588-L682 PolarHBondContact N-O 3.32Å; Y588-T684 WeakPolarHBondContact O-CA 3.37Å; Y588-T684 WeakPolarHBondContact O-CB 3.41Å; Y588-T684 PolarHBondContact O-N 2.9Å; Y588-T684 PolarHBondContact O-OG1 3.35Å
589	E	98.5	Very high	96.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.1	162.1	172	-177.1	-131	0	0	109.8	Q570 S591 V604 H638 T684 Y722	Q570-E589 WeakPolarHBondContact CG-OE1 3.32Å; Q570-E589 VanDerWaalsContact NE2-CD 3.33Å; Q570-E589 PolarHBondContact NE2-OE1 3.17Å; E589-S591 PolarHBondContact O-N 3.07Å; E589-V604 HydrophobicContact CB-CB 4.03Å; E589-V604 HydrophobicContact CG-CB 4.37Å; E589-V604 PolarHBondContact N-O 3Å; E589-V604 PolarHBondContact O-N 2.93Å; E589-V604 WeakPolarHBondContact OE2-CB 3.47Å; E589-V604 VanDerWaalsContact OE2-CG1 3.29Å; E589-V604 WeakPolarHBondContact OE2-CG1 3.33Å; E589-H638 IonicContact OE1-CE1 3.81Å; E589-H638 IonicContact OE1-NE2 3.73Å; E589-H638 IonicContact OE2-CD2 3.17Å; E589-H638 IonicContact OE2-CE1 3.26Å; E589-H638 PolarHBondContact OE2-CE1 2.72Å; E589-H638 IonicContact OE2-NE2 2.77Å; E589-H638 PolarHBondContact OE2-NE2 2.95Å; E589-T684 WeakPolarHBondContact CA-O 3.3Å; E589-T684 WeakPolarHBondContact CA-OG1 3.38Å; E589-T684 WeakPolarHBondContact CB-OG1 3.44Å; E589-Y722 PolarHBondContact OE1-OH 2.88Å; E589-Y722 VanDerWaalsContact OE1-OH 3.07Å
590	A	96.2	Very high	96.2	Very high	30 Å²	30	26.7 Å²	26.7	25%	0.248	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	124	177	0	0	0	0	0	111.7	Y588 T684	Y588-A590 HydrophobicContact CE1-CB 3.91Å; A590-T684 PolarHBondContact N-O 3.47Å
591	S	95.4	Very high	96.2	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.7	170.3	-173.3	0	0	0	0	110.8	E589 T601 E602 M646	E589-S591 PolarHBondContact O-N 3.07Å; S591-T601 CarbonylContact O-C 3.49Å; S591-T601 WeakPolarHBondContact O-CA 3.46Å; S591-E602 PolarHBondContact N-O 3.44Å; S591-E602 PolarHBondContact O-N 3.23Å; S591-M646 WeakPolarHBondContact OG-CG 3.47Å
592	M	93.7	Very high	96.4	Very high	46 Å²	46	23.6 Å²	23.6	23%	0.227	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	137.4	-178.5	65.9	174.4	-179.7	0	0	112.1	L302 R594 M646	L302-M592 HydrophobicContact CD1-CE 3.98Å; L302-M592 HydrophobicContact CD1-SD 4.03Å; L302-M592 HydrophobicContact CD2-CE 4.17Å; L302-M592 HydrophobicContact CD2-SD 4.46Å; M592-R594 HydrophobicContact CB-CG 4.41Å; M592-R594 HydrophobicContact SD-CB 4.49Å; M592-M646 HydrophobicContact CE-CE 3.54Å; M592-M646 HydrophobicContact CG-CE 4.28Å
593	T	96.1	Very high	96.5	Very high	5 Å²	5	21.5 Å²	21.5	3%	0.031	11%	0.108	C	C	.	.			trans	-104.8	20.9	170.1	53.8	0	0	0	0	112.1	L173 L595 F596 R600 E602	L173-T593 HydrophobicContact CD1-CG2 4.36Å; T593-L595 PolarHBondContact O-N 3.44Å; T593-F596 WeakPolarHBondContact O-CD2 3.46Å; T593-F596 PolarHBondContact O-N 3.47Å; T593-R600 PolarHBondContact N-O 3.3Å; T593-R600 PolarHBondContact OG1-N 3.49Å; T593-R600 PolarHBondContact OG1-O 2.99Å; T593-E602 HydrophobicContact CG2-CB 3.59Å
594	R	96.3	Very high	96.7	Very high	11 Å²	11	17.8 Å²	17.8	4%	0.042	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-2.6	-178.7	-69.3	176.4	63.7	-160.6	0.7	114.5	S293 L302 C303 M592 F596 G599	S293-R594 PolarHBondContact OG-NH2 3.41Å; L302-R594 CarbonylContact C-O 3.59Å; L302-R594 WeakPolarHBondContact CA-O 3.39Å; L302-R594 HydrophobicContact CB-CB 4.11Å; L302-R594 HydrophobicContact CD2-CB 4.04Å; C303-R594 HydrophobicContact CB-CB 4.32Å; C303-R594 PolarHBondContact N-O 3.46Å; C303-R594 PolarHBondContact O-NE 2.98Å; C303-R594 PolarHBondContact O-NH2 2.82Å; M592-R594 HydrophobicContact CB-CG 4.41Å; M592-R594 HydrophobicContact SD-CB 4.49Å; R594-F596 PolarHBondContact O-N 2.99Å; R594-G599 WeakPolarHBondContact CG-O 3.35Å
595	L	96.8	Very high	96.7	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.021	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.6	164.2	-68.6	177	0	0	0	111.9	M135 P171 V295 I300 L302 T593 M646	M135-L595 HydrophobicContact CE-CD1 3.83Å; M135-L595 HydrophobicContact SD-CD1 4.04Å; P171-L595 WeakPolarHBondContact CD-O 3.41Å; P171-L595 WeakPolarHBondContact CG-O 3.21Å; V295-L595 HydrophobicContact CG2-CD2 3.8Å; I300-L595 HydrophobicContact CG2-CD2 3.84Å; L302-L595 HydrophobicContact CD2-CD2 3.95Å; L302-L595 HydrophobicContact CD2-CG 4.42Å; T593-L595 PolarHBondContact O-N 3.44Å; L595-M646 HydrophobicContact CD1-CB 4.44Å; L595-M646 HydrophobicContact CD1-CE 4.29Å
596	F	97.5	Very high	96.7	Very high	3 Å²	3	17.4 Å²	17.4	1%	0.013	8%	0.083	C	C	.	.	S	Bend	trans	-104.5	153.1	179.1	-54.2	-77.4	0	0	0	111.4	H132 P171 N172 L173 P174 C303 T593 R594 E598 G599 M646 T647	H132-F596 AromaticContact CE1-CE1 3.52Å; H132-F596 AromaticContact CE1-CZ 3.47Å; H132-F596 VanDerWaalsContact CE1-CZ 3.47Å; H132-F596 WeakPolarHBondContact CE1-CZ 3.4Å; P171-F596 HydrophobicContact CB-CD1 4Å; P171-F596 HydrophobicContact CB-CE1 4.32Å; P171-F596 HydrophobicContact CG-CD1 3.71Å; P171-F596 HydrophobicContact CG-CE1 4.06Å; P171-F596 CarbonylContact O-C 3.43Å; P171-F596 VanDerWaalsContact O-CA 3.31Å; P171-F596 WeakPolarHBondContact O-CA 3.21Å; N172-F596 VanDerWaalsContact O-CD1 3.26Å; N172-F596 WeakPolarHBondContact O-CD1 3.48Å; L173-F596 HydrophobicContact CB-CB 4.11Å; L173-F596 HydrophobicContact CB-CG 4.17Å; L173-F596 HydrophobicContact CD1-CB 4.21Å; L173-F596 HydrophobicContact CD1-CD1 4.47Å; L173-F596 HydrophobicContact CD1-CD2 3.27Å; L173-F596 HydrophobicContact CD1-CE2 3.68Å; L173-F596 HydrophobicContact CD1-CG 3.72Å; L173-F596 HydrophobicContact CD1-CZ 4.44Å; L173-F596 HydrophobicContact CG-CD2 4.49Å; P174-F596 HydrophobicContact CG-CE1 4.25Å; P174-F596 HydrophobicContact CG-CZ 4.16Å; C303-F596 WeakPolarHBondContact CB-O 3.34Å; T593-F596 WeakPolarHBondContact O-CD2 3.46Å; T593-F596 PolarHBondContact O-N 3.47Å; R594-F596 PolarHBondContact O-N 2.99Å; F596-E598 PolarHBondContact O-N 3.21Å; F596-G599 PolarHBondContact O-N 3.45Å; F596-G599 VanDerWaalsContact O-N 3.1Å; F596-M646 WeakPolarHBondContact CE2-O 3.27Å; F596-T647 VanDerWaalsContact CE2-C 3.47Å; F596-T647 VanDerWaalsContact CZ-C 3.5Å; F596-T647 VanDerWaalsContact CZ-O 3.27Å; F596-T647 WeakPolarHBondContact CZ-O 3.43Å
597	R	96.2	Very high	96.8	Very high	90 Å²	90	17 Å²	17	34%	0.34	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	132.2	173.1	-175.3	173.7	174.2	162.1	-0.1	109.8	L170 P171 N229 G599	L170-R597 HydrophobicContact CB-CB 4.04Å; P171-R597 PolarHBondContact O-N 2.89Å; N229-R597 PolarHBondContact ND2-O 3.33Å; R597-G599 PolarHBondContact O-N 3.23Å
598	E	95.7	Very high	96.8	Very high	61 Å²	61	17.3 Å²	17.3	29%	0.285	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	19	-178.1	-67.1	152.8	-140.4	0	0	114.2	S228 N229 S232 C303 A305 F596 R600	S228-E598 WeakPolarHBondContact CB-OE1 3.49Å; S228-E598 WeakPolarHBondContact CB-OE2 3.43Å; S228-E598 VanDerWaalsContact OG-CD 3.25Å; S228-E598 PolarHBondContact OG-OE1 3.03Å; S228-E598 PolarHBondContact OG-OE2 3.3Å; N229-E598 HydrophobicContact CB-CB 4.06Å; S232-E598 PolarHBondContact OG-O 3.2Å; C303-E598 PolarHBondContact SG-N 3.29Å; A305-E598 HydrophobicContact CB-CG 4.06Å; F596-E598 PolarHBondContact O-N 3.21Å; E598-R600 PolarHBondContact O-N 3.5Å
599	G	95.5	Very high	96.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.			trans	-62.8	131	176	0	0	0	0	0	112.4	Q306 R594 F596 R597	Q306-G599 PolarHBondContact NE2-O 3.08Å; R594-G599 WeakPolarHBondContact CG-O 3.35Å; F596-G599 PolarHBondContact O-N 3.45Å; F596-G599 VanDerWaalsContact O-N 3.1Å; R597-G599 PolarHBondContact O-N 3.23Å
600	R	94.6	Very high	96.8	Very high	18 Å²	18	20.6 Å²	20.6	7%	0.068	11%	0.105	C	C	.	.			trans	-101.7	-102.2	170.5	-69.6	-75.1	-57.7	-118.1	-2.4	108.2	H472 S473 W474 A475 D476 T593 E598	H472-R600 PolarHBondContact O-NH2 3.43Å; S473-R600 PolarHBondContact O-NH1 3.38Å; W474-R600 PolarHBondContact O-NH1 2.96Å; A475-R600 VanDerWaalsContact C-NH2 3.32Å; A475-R600 VanDerWaalsContact N-NH1 3.2Å; A475-R600 PolarHBondContact O-NH2 2.96Å; D476-R600 IonicContact OD1-CZ 3.45Å; D476-R600 IonicContact OD1-NE 4Å; D476-R600 PolarHBondContact OD1-NE 3.15Å; D476-R600 IonicContact OD1-NH2 3.78Å; D476-R600 PolarHBondContact OD1-NH2 3.4Å; D476-R600 WeakPolarHBondContact OD2-CA 3.4Å; D476-R600 WeakPolarHBondContact OD2-CD 3.42Å; D476-R600 IonicContact OD2-CZ 2.85Å; D476-R600 IonicContact OD2-NE 3.5Å; D476-R600 PolarHBondContact OD2-NE 3.44Å; T593-R600 PolarHBondContact N-O 3.3Å; T593-R600 PolarHBondContact OG1-N 3.49Å; T593-R600 PolarHBondContact OG1-O 2.99Å; E598-R600 PolarHBondContact O-N 3.5Å
601	T	95.7	Very high	96.9	Very high	15 Å²	15	19.1 Å²	19.1	9%	0.092	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	156.6	-174.5	56.1	0	0	0	0	112.3	S591 R653	S591-T601 CarbonylContact O-C 3.49Å; S591-T601 WeakPolarHBondContact O-CA 3.46Å; T601-R653 PolarHBondContact O-NE 3.35Å; T601-R653 PolarHBondContact OG1-NH2 2.98Å
602	E	97.6	Very high	97.1	Very high	7 Å²	7	19.3 Å²	19.3	3%	0.033	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	165.3	161.7	178.3	57.4	-78	0	0	107.8	S591 T593 A645 G650 R653	S591-E602 PolarHBondContact N-O 3.44Å; S591-E602 PolarHBondContact O-N 3.23Å; T593-E602 HydrophobicContact CG2-CB 3.59Å; E602-A645 HydrophobicContact CB-CB 4.1Å; E602-A645 HydrophobicContact CG-CB 3.76Å; E602-G650 WeakPolarHBondContact OE2-CA 3.48Å; E602-R653 WeakPolarHBondContact OE1-CG 3.44Å; E602-R653 PolarHBondContact OE1-N 3Å; E602-R653 VanDerWaalsContact OE1-N 3.15Å; E602-R653 IonicContact OE1-NH1 3.59Å; E602-R653 PolarHBondContact OE1-NH1 3.21Å
603	T	97.8	Very high	97.3	Very high	7 Å²	7	19.2 Å²	19.2	4%	0.043	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134.4	-180	-56.6	0	0	0	0	111.8	Y588 R605 D652 R653 W680	Y588-T603 HydrophobicContact CD2-CG2 3.43Å; Y588-T603 VanDerWaalsContact CD2-CG2 3.43Å; Y588-T603 WeakPolarHBondContact CD2-OG1 3.46Å; Y588-T603 HydrophobicContact CE2-CG2 3.83Å; Y588-T603 WeakPolarHBondContact CE2-OG1 3.49Å; Y588-T603 HydrophobicContact CG-CG2 4.08Å; T603-R605 HydrophobicContact CG2-CG 4.23Å; T603-D652 WeakPolarHBondContact CB-OD2 3.4Å; T603-R653 PolarHBondContact OG1-NH1 3.06Å; T603-W680 HydrophobicContact CG2-CH2 3.69Å; T603-W680 HydrophobicContact CG2-CZ2 4.34Å; T603-W680 HydrophobicContact CG2-CZ3 3.96Å
604	V	98.4	Very high	97.4	Very high	1 Å²	1	19 Å²	19	1%	0.006	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	122.2	160.8	176	0	0	0	0	107.7	E589 S606 L641 Y642 A645	E589-V604 HydrophobicContact CB-CB 4.03Å; E589-V604 HydrophobicContact CG-CB 4.37Å; E589-V604 PolarHBondContact N-O 3Å; E589-V604 PolarHBondContact O-N 2.93Å; E589-V604 WeakPolarHBondContact OE2-CB 3.47Å; E589-V604 VanDerWaalsContact OE2-CG1 3.29Å; E589-V604 WeakPolarHBondContact OE2-CG1 3.33Å; V604-S606 PolarHBondContact O-N 2.89Å; V604-L641 HydrophobicContact CG1-CB 3.96Å; V604-Y642 HydrophobicContact CG2-CD2 3.86Å; V604-Y642 HydrophobicContact CG2-CG 4.34Å; V604-A645 HydrophobicContact CG2-CB 3.7Å
605	R	98	Very high	97.5	Very high	13 Å²	13	18.4 Å²	18.4	5%	0.049	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	90.8	176.7	-64.2	-174.3	179	-151.5	-9	109.2	S188 T587 T603 C607 D652 W680	S188-R605 WeakPolarHBondContact OG-CD 3.27Å; S188-R605 PolarHBondContact OG-NH1 3.47Å; T587-R605 WeakPolarHBondContact O-CA 3.25Å; T603-R605 HydrophobicContact CG2-CG 4.23Å; R605-C607 VanDerWaalsContact C-N 3.28Å; R605-C607 PolarHBondContact O-N 2.88Å; R605-D652 IonicContact CZ-OD1 3.42Å; R605-D652 IonicContact CZ-OD2 3.5Å; R605-D652 IonicContact NE-OD1 2.69Å; R605-D652 PolarHBondContact NE-OD1 3.45Å; R605-D652 IonicContact NE-OD2 3.2Å; R605-D652 PolarHBondContact NE-OD2 2.87Å; R605-D652 IonicContact NH2-OD1 2.64Å; R605-D652 PolarHBondContact NH2-OD1 3.38Å; R605-D652 IonicContact NH2-OD2 2.68Å; R605-W680 HydrophobicContact CG-CH2 4.1Å; R605-W680 HydrophobicContact CG-CZ3 4.19Å
606	S	97.8	Very high	97.6	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.014	12%	0.123	C	C	.	.			trans	-68.1	-24.2	-172	-52.5	0	0	0	0	114.2	Q570 T587 V604 S608 S611	Q570-S606 VanDerWaalsContact OE1-CB 3.22Å; Q570-S606 PolarHBondContact OE1-OG 2.9Å; T587-S606 PolarHBondContact O-N 3.36Å; V604-S606 PolarHBondContact O-N 2.89Å; S606-S608 PolarHBondContact O-N 3.32Å; S606-S611 PolarHBondContact O-OG 3.14Å
607	C	98.3	Very high	97.6	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.02	13%	0.127	C	C	.	.			trans	-78.9	101.8	169.2	-174.6	0	0	0	0	109.3	L192 Q574 C585 R605	L192-C607 HydrophobicContact CD2-CB 4.4Å; L192-C607 VanDerWaalsContact CD2-SG 3.58Å; Q574-C607 VanDerWaalsContact OE1-CB 3.23Å; C585-C607 WeakPolarHBondContact O-CB 3.33Å; R605-C607 VanDerWaalsContact C-N 3.28Å; R605-C607 PolarHBondContact O-N 2.88Å
608	S	98.3	Very high	97.7	Very high	7 Å²	7	23.2 Å²	23.2	5%	0.049	12%	0.12	C	C	.	.			trans	-119.5	169.7	177.5	89.5	0	0	0	0	110.1	S606 E610 S611 S612	S606-S608 PolarHBondContact O-N 3.32Å; S608-E610 WeakPolarHBondContact CB-OE2 3.31Å; S608-E610 PolarHBondContact O-N 3.02Å; S608-E610 PolarHBondContact OG-N 2.69Å; S608-E610 PolarHBondContact OG-OE2 3.49Å; S608-S611 PolarHBondContact N-OG 3.43Å; S608-S611 PolarHBondContact O-N 3.23Å; S608-S611 PolarHBondContact O-OG 3.24Å; S608-S611 PolarHBondContact OG-N 2.91Å; S608-S612 WeakPolarHBondContact O-CB 3.46Å; S608-S612 PolarHBondContact O-N 3.04Å; S608-S612 PolarHBondContact O-OG 3.38Å
609	S	98.4	Very high	97.8	Very high	49 Å²	49	24.2 Å²	24.2	34%	0.343	13%	0.125	S	C	.	.	H	α-helix	trans	-59.6	-37.3	174.7	-66.3	0	0	0	0	111.3	A613	S609-A613 VanDerWaalsContact O-CB 3.22Å; S609-A613 WeakPolarHBondContact O-CB 3.46Å; S609-A613 PolarHBondContact O-N 3.38Å
610	E	98.7	Very high	97.9	Very high	59 Å²	59	27.1 Å²	27.1	28%	0.276	16%	0.155	S	C	.	.	H	α-helix	trans	-68.5	-45.2	178.2	-57.3	84.3	164.4	0	0	112.2	S608 S612 A613 F614 A634 K637	S608-E610 WeakPolarHBondContact CB-OE2 3.31Å; S608-E610 PolarHBondContact O-N 3.02Å; S608-E610 PolarHBondContact OG-N 2.69Å; S608-E610 PolarHBondContact OG-OE2 3.49Å; E610-S612 VanDerWaalsContact C-N 3.35Å; E610-A613 PolarHBondContact O-N 2.88Å; E610-F614 WeakPolarHBondContact O-CB 3.42Å; E610-F614 PolarHBondContact O-N 3.13Å; E610-A634 HydrophobicContact CB-CB 4.2Å; E610-K637 HydrophobicContact CB-CB 4.25Å; E610-K637 HydrophobicContact CG-CB 4.13Å; E610-K637 HydrophobicContact CG-CG 4.28Å; E610-K637 VanDerWaalsContact OE1-CD 3.28Å; E610-K637 WeakPolarHBondContact OE1-CD 3.38Å; E610-K637 WeakPolarHBondContact OE1-CE 3.4Å; E610-K637 IonicContact OE1-NZ 3.48Å; E610-K637 PolarHBondContact OE1-NZ 2.9Å; E610-K637 WeakPolarHBondContact OE2-CG 3.45Å
611	S	98.5	Very high	97.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.6	-38.8	176.4	64.5	0	0	0	0	111.9	M571 S606 S608 F614 V615	M571-S611 WeakPolarHBondContact SD-CB 3.2Å; S606-S611 PolarHBondContact O-OG 3.14Å; S608-S611 PolarHBondContact N-OG 3.43Å; S608-S611 PolarHBondContact O-N 3.23Å; S608-S611 PolarHBondContact O-OG 3.24Å; S608-S611 PolarHBondContact OG-N 2.91Å; S611-F614 PolarHBondContact O-N 2.88Å; S611-V615 WeakPolarHBondContact O-CG2 3.49Å; S611-V615 PolarHBondContact O-N 3.34Å
612	S	98.4	Very high	98	Very high	5 Å²	5	33.7 Å²	33.7	4%	0.035	20%	0.203	C	C	.	.	H	α-helix	trans	-66.3	-41.6	176.4	-54	0	0	0	0	112.3	P191 S608 E610 V615 R616	P191-S612 WeakPolarHBondContact CB-OG 3.28Å; S608-S612 WeakPolarHBondContact O-CB 3.46Å; S608-S612 PolarHBondContact O-N 3.04Å; S608-S612 PolarHBondContact O-OG 3.38Å; E610-S612 VanDerWaalsContact C-N 3.35Å; S612-V615 PolarHBondContact O-N 3.34Å; S612-R616 WeakPolarHBondContact O-CB 3.05Å; S612-R616 VanDerWaalsContact O-CG 3.31Å; S612-R616 WeakPolarHBondContact O-CG 3.4Å; S612-R616 PolarHBondContact O-N 3.36Å
613	A	98.6	Very high	97.9	Very high	43 Å²	43	36.6 Å²	36.6	36%	0.355	22%	0.223	S	C	.	.	H	α-helix	trans	-63.6	-42	175.6	0	0	0	0	0	111.8	S609 E610 A617	S609-A613 VanDerWaalsContact O-CB 3.22Å; S609-A613 WeakPolarHBondContact O-CB 3.46Å; S609-A613 PolarHBondContact O-N 3.38Å; E610-A613 PolarHBondContact O-N 2.88Å; A613-A617 WeakPolarHBondContact O-CB 3.49Å; A613-A617 PolarHBondContact O-N 3.46Å
614	F	98.7	Very high	97.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-51.4	174	161.5	-111.3	0	0	0	111.9	E610 S611 R616 A617 L618 L630 F631 A634 L759 L762	E610-F614 WeakPolarHBondContact O-CB 3.42Å; E610-F614 PolarHBondContact O-N 3.13Å; S611-F614 PolarHBondContact O-N 2.88Å; F614-R616 PolarHBondContact O-N 3.34Å; F614-A617 PolarHBondContact O-N 3.37Å; F614-L618 HydrophobicContact CE2-CB 4.19Å; F614-L618 HydrophobicContact CE2-CD2 4.24Å; F614-L618 HydrophobicContact CZ-CB 4.4Å; F614-L618 HydrophobicContact CZ-CD2 3.8Å; F614-L618 PolarHBondContact O-N 3.03Å; F614-L630 HydrophobicContact CB-CB 3.99Å; F614-L630 HydrophobicContact CD2-CB 4.31Å; F614-F631 HydrophobicContact CD1-CD2 4.21Å; F614-F631 HydrophobicContact CD2-CB 3.68Å; F614-F631 HydrophobicContact CD2-CD2 4.38Å; F614-F631 AromaticContact CE1-CD2 3.74Å; F614-F631 HydrophobicContact CE1-CD2 3.74Å; F614-F631 HydrophobicContact CE1-CE2 4.44Å; F614-F631 HydrophobicContact CE2-CB 3.69Å; F614-F631 AromaticContact CE2-CD2 3.93Å; F614-F631 HydrophobicContact CE2-CD2 3.93Å; F614-F631 HydrophobicContact CE2-CG 4.3Å; F614-F631 HydrophobicContact CG-CB 4.27Å; F614-F631 HydrophobicContact CZ-CB 4.27Å; F614-F631 AromaticContact CZ-CD2 3.6Å; F614-F631 HydrophobicContact CZ-CD2 3.6Å; F614-F631 HydrophobicContact CZ-CG 4.41Å; F614-A634 HydrophobicContact CB-CB 4.19Å; F614-L759 HydrophobicContact CE1-CD2 3.77Å; F614-L759 HydrophobicContact CE2-CD2 4.49Å; F614-L759 HydrophobicContact CZ-CD2 3.36Å; F614-L762 HydrophobicContact CE2-CD2 3.82Å; F614-L762 HydrophobicContact CZ-CD2 4.28Å
615	V	98.6	Very high	97.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.9	-45	-178.8	169.3	0	0	0	0	111.1	Q574 L575 F578 F584 S611 S612 A617 L618 E619	Q574-V615 HydrophobicContact CB-CG2 4.15Å; L575-V615 HydrophobicContact CB-CG2 4.2Å; L575-V615 HydrophobicContact CD1-CG1 4.03Å; L575-V615 HydrophobicContact CD1-CG2 4.47Å; F578-V615 HydrophobicContact CB-CG1 3.55Å; F578-V615 HydrophobicContact CD1-CG1 3.64Å; F578-V615 HydrophobicContact CD2-CG1 4.27Å; F578-V615 HydrophobicContact CE1-CG1 4.42Å; F578-V615 HydrophobicContact CG-CG1 3.54Å; F584-V615 HydrophobicContact CE1-CB 3.94Å; F584-V615 HydrophobicContact CE1-CG1 3.92Å; F584-V615 HydrophobicContact CE1-CG2 4.38Å; F584-V615 HydrophobicContact CZ-CB 3.98Å; F584-V615 HydrophobicContact CZ-CG1 3.9Å; S611-V615 WeakPolarHBondContact O-CG2 3.49Å; S611-V615 PolarHBondContact O-N 3.34Å; S612-V615 PolarHBondContact O-N 3.34Å; V615-A617 PolarHBondContact O-N 2.99Å; V615-L618 PolarHBondContact O-N 3.4Å; V615-E619 HydrophobicContact CG1-CG 4.49Å; V615-E619 WeakPolarHBondContact O-CG 3.34Å; V615-E619 PolarHBondContact O-N 3.19Å
616	R	98.4	Very high	97.6	Very high	147 Å²	147	43.5 Å²	43.5	56%	0.555	27%	0.267	S	S	*	.	H	α-helix	trans	-61.7	-40.7	176.6	-72.7	179.8	-170.6	-88	2.1	112.6	F584 S612 F614 G620	F584-R616 HydrophobicContact CE2-CG 4.07Å; F584-R616 HydrophobicContact CZ-CG 4.12Å; S612-R616 WeakPolarHBondContact O-CB 3.05Å; S612-R616 VanDerWaalsContact O-CG 3.31Å; S612-R616 WeakPolarHBondContact O-CG 3.4Å; S612-R616 PolarHBondContact O-N 3.36Å; F614-R616 PolarHBondContact O-N 3.34Å; R616-G620 WeakPolarHBondContact O-CA 3.42Å; R616-G620 PolarHBondContact O-N 3.47Å
617	A	98.3	Very high	97.6	Very high	12 Å²	12	43.5 Å²	43.5	10%	0.099	27%	0.267	C	S	.	.	H	α-helix	trans	-65.5	-43.9	178.1	0	0	0	0	0	111.8	A613 F614 V615 G620 G621 E622 L630	A613-A617 WeakPolarHBondContact O-CB 3.49Å; A613-A617 PolarHBondContact O-N 3.46Å; F614-A617 PolarHBondContact O-N 3.37Å; V615-A617 PolarHBondContact O-N 2.99Å; A617-G620 PolarHBondContact O-N 2.99Å; A617-G621 PolarHBondContact O-N 3.2Å; A617-E622 HydrophobicContact CB-CB 4.07Å; A617-E622 HydrophobicContact CB-CG 3.86Å; A617-E622 VanDerWaalsContact O-CB 3.31Å; A617-E622 WeakPolarHBondContact O-CB 3.17Å; A617-E622 WeakPolarHBondContact O-CG 3.18Å; A617-E622 PolarHBondContact O-N 3.01Å; A617-L630 HydrophobicContact CB-CD1 3.37Å
618	L	98	Very high	97.6	Very high	39 Å²	39	47.8 Å²	47.8	20%	0.204	28%	0.283	C	S	.	.	H	α-helix	trans	-64.4	-48	179.2	-175.2	64.4	0	0	0	111.7	L575 F614 V615 G620 G621 C627 L762	L575-L618 HydrophobicContact CD1-CD2 4.13Å; L575-L618 HydrophobicContact CD2-CD2 3.63Å; F614-L618 HydrophobicContact CE2-CB 4.19Å; F614-L618 HydrophobicContact CE2-CD2 4.24Å; F614-L618 HydrophobicContact CZ-CB 4.4Å; F614-L618 HydrophobicContact CZ-CD2 3.8Å; F614-L618 PolarHBondContact O-N 3.03Å; V615-L618 PolarHBondContact O-N 3.4Å; L618-G620 VanDerWaalsContact C-N 3.31Å; L618-G620 PolarHBondContact O-N 2.81Å; L618-G621 PolarHBondContact O-N 2.85Å; L618-C627 HydrophobicContact CD1-CB 4.39Å; L618-L762 HydrophobicContact CD1-CD2 4.34Å
619	E	97.6	Very high	97.6	Very high	81 Å²	81	55.1 Å²	55.1	38%	0.379	31%	0.309	S	S	.	.	H	α-helix	trans	-73.4	-24.3	179.3	-65.3	-66.7	113.5	0	0	112.7	L575 F578 R579 V615 G621	L575-E619 HydrophobicContact CD1-CG 3.95Å; F578-E619 HydrophobicContact CD1-CG 4.04Å; F578-E619 HydrophobicContact CE1-CB 4.25Å; F578-E619 HydrophobicContact CE1-CG 4.17Å; R579-E619 WeakPolarHBondContact CG-OE2 3.3Å; R579-E619 IonicContact CZ-OE1 3.13Å; R579-E619 IonicContact NE-OE1 3.33Å; R579-E619 PolarHBondContact NE-OE1 2.97Å; R579-E619 IonicContact NE-OE2 3.44Å; R579-E619 IonicContact NH2-OE1 2.66Å; R579-E619 PolarHBondContact NH2-OE1 3.3Å; V615-E619 HydrophobicContact CG1-CG 4.49Å; V615-E619 WeakPolarHBondContact O-CG 3.34Å; V615-E619 PolarHBondContact O-N 3.19Å; E619-G621 PolarHBondContact O-N 2.93Å
620	G	96.5	Very high	97.6	Very high	61 Å²	61	54.9 Å²	54.9	63%	0.629	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-6.2	174.2	0	0	0	0	0	114.4	R616 A617 L618	R616-G620 WeakPolarHBondContact O-CA 3.42Å; R616-G620 PolarHBondContact O-N 3.47Å; A617-G620 PolarHBondContact O-N 2.99Å; L618-G620 VanDerWaalsContact C-N 3.31Å; L618-G620 PolarHBondContact O-N 2.81Å
621	G	95.8	Very high	97.6	Very high	67 Å²	67	52 Å²	52	69%	0.691	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	25.1	179.7	0	0	0	0	0	114.3	A617 L618 E619	A617-G621 PolarHBondContact O-N 3.2Å; L618-G621 PolarHBondContact O-N 2.85Å; E619-G621 PolarHBondContact O-N 2.93Å
622	E	97.5	Very high	97.5	Very high	104 Å²	104	58.8 Å²	58.8	49%	0.486	32%	0.316	S	S	.	.			trans	-61.5	153	174.6	-71	-69.6	163.4	0	0	111.6	A617 V626 C627	A617-E622 HydrophobicContact CB-CB 4.07Å; A617-E622 HydrophobicContact CB-CG 3.86Å; A617-E622 VanDerWaalsContact O-CB 3.31Å; A617-E622 WeakPolarHBondContact O-CB 3.17Å; A617-E622 WeakPolarHBondContact O-CG 3.18Å; A617-E622 PolarHBondContact O-N 3.01Å; E622-V626 HydrophobicContact CB-CG1 4.37Å; E622-C627 PolarHBondContact O-SG 3.07Å
623	P	96.4	Very high	97.5	Very high	69 Å²	69	60.6 Å²	60.6	45%	0.448	33%	0.331	S	S	.	.			trans	-52.7	144	178.1	-28.1	36.6	0	0	0	113.5	D625 V626 C627	P623-D625 WeakPolarHBondContact CB-OD1 3.37Å; P623-D625 PolarHBondContact O-N 2.8Å; P623-D625 VanDerWaalsContact O-N 3.14Å; P623-V626 HydrophobicContact CB-CG2 4.24Å; P623-V626 HydrophobicContact CG-CG2 4.47Å; P623-V626 WeakPolarHBondContact O-CA 3.22Å; P623-V626 WeakPolarHBondContact O-CB 3.43Å; P623-V626 PolarHBondContact O-N 3.44Å; P623-C627 PolarHBondContact O-N 3.31Å
624	A	94.6	Very high	97.5	Very high	41 Å²	41	58.6 Å²	58.6	34%	0.339	32%	0.315	S	S	.	.	H	α-helix	trans	-60.2	-30.3	-173	0	0	0	0	0	113.6	R628 L762	A624-R628 WeakPolarHBondContact O-CB 3.47Å; A624-R628 VanDerWaalsContact O-CG 3.27Å; A624-R628 WeakPolarHBondContact O-CG 3.33Å; A624-R628 PolarHBondContact O-N 3.12Å; A624-R628 PolarHBondContact O-NE 3.06Å; A624-L762 HydrophobicContact CB-CD1 4.17Å
625	D	95.3	Very high	97.5	Very high	96 Å²	96	59 Å²	59	51%	0.513	32%	0.318	S	S	.	.	H	α-helix	trans	-69.2	-38	174.9	66.1	-57.1	0	0	0	112.6	P623 R629	P623-D625 WeakPolarHBondContact CB-OD1 3.37Å; P623-D625 PolarHBondContact O-N 2.8Å; P623-D625 VanDerWaalsContact O-N 3.14Å; D625-R629 WeakPolarHBondContact O-CB 3.47Å; D625-R629 PolarHBondContact O-N 3.34Å
626	V	97.1	Very high	97.4	Very high	29 Å²	29	65.5 Å²	65.5	18%	0.176	35%	0.348	C	S	.	.	H	α-helix	trans	-63.1	-50.3	172	177.9	0	0	0	0	109.7	E622 P623 R628 R629 L630	E622-V626 HydrophobicContact CB-CG1 4.37Å; P623-V626 HydrophobicContact CB-CG2 4.24Å; P623-V626 HydrophobicContact CG-CG2 4.47Å; P623-V626 WeakPolarHBondContact O-CA 3.22Å; P623-V626 WeakPolarHBondContact O-CB 3.43Å; P623-V626 PolarHBondContact O-N 3.44Å; V626-R628 PolarHBondContact O-N 3.47Å; V626-R629 PolarHBondContact O-N 3.13Å; V626-L630 HydrophobicContact CG1-CD1 3.99Å; V626-L630 WeakPolarHBondContact O-CG 3.35Å; V626-L630 PolarHBondContact O-N 3.39Å
627	C	97.9	Very high	97.3	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.007	33%	0.327	C	S	.	.	H	α-helix	trans	-58.2	-44.6	177.4	-69.8	0	0	0	0	112.2	L618 E622 P623 R629 L630 F631 L762	L618-C627 HydrophobicContact CD1-CB 4.39Å; E622-C627 PolarHBondContact O-SG 3.07Å; P623-C627 PolarHBondContact O-N 3.31Å; C627-R629 PolarHBondContact O-N 3.4Å; C627-L630 PolarHBondContact O-N 3.18Å; C627-F631 VanDerWaalsContact O-CB 3.3Å; C627-F631 WeakPolarHBondContact O-CB 3.35Å; C627-F631 PolarHBondContact O-N 2.92Å; C627-L762 HydrophobicContact CB-CD1 3.77Å; C627-L762 HydrophobicContact CB-CD2 3.97Å
628	R	97.6	Very high	97.3	Very high	93 Å²	93	59.4 Å²	59.4	35%	0.351	32%	0.323	S	S	.	.	H	α-helix	trans	-60.5	-41.6	175.9	-81	-175.2	-72.1	-92	0.3	112.8	A624 V626 R632 L762 L763	A624-R628 WeakPolarHBondContact O-CB 3.47Å; A624-R628 VanDerWaalsContact O-CG 3.27Å; A624-R628 WeakPolarHBondContact O-CG 3.33Å; A624-R628 PolarHBondContact O-N 3.12Å; A624-R628 PolarHBondContact O-NE 3.06Å; V626-R628 PolarHBondContact O-N 3.47Å; R628-R632 WeakPolarHBondContact O-CG 3.4Å; R628-R632 PolarHBondContact O-N 3.47Å; R628-R632 VanDerWaalsContact O-N 3.07Å; R628-L762 VanDerWaalsContact CD-O 3.27Å; R628-L762 WeakPolarHBondContact CD-O 3.38Å; R628-L762 HydrophobicContact CG-CD1 3.91Å; R628-L762 HydrophobicContact CG-CG 3.93Å; R628-L762 VanDerWaalsContact CG-O 3.28Å; R628-L762 WeakPolarHBondContact CG-O 3.46Å; R628-L762 PolarHBondContact NH1-O 2.51Å; R628-L763 HydrophobicContact CG-CD2 4.33Å
629	R	97.8	Very high	97.3	Very high	161 Å²	161	59.3 Å²	59.3	61%	0.608	32%	0.322	S	S	*	.	H	α-helix	trans	-65.8	-45.4	178.2	177.1	176.2	51.7	116.9	1.5	111.1	D625 V626 C627 R632 A633	D625-R629 WeakPolarHBondContact O-CB 3.47Å; D625-R629 PolarHBondContact O-N 3.34Å; V626-R629 PolarHBondContact O-N 3.13Å; C627-R629 PolarHBondContact O-N 3.4Å; R629-R632 PolarHBondContact O-N 3.48Å; R629-A633 PolarHBondContact O-N 3.41Å
630	L	98.6	Very high	97.2	Very high	44 Å²	44	59.6 Å²	59.6	23%	0.23	32%	0.323	C	S	.	.	H	α-helix	trans	-65.5	-41.3	177.1	-68.7	173	0	0	0	111.8	F614 A617 V626 C627 R632 A633 A634	F614-L630 HydrophobicContact CB-CB 3.99Å; F614-L630 HydrophobicContact CD2-CB 4.31Å; A617-L630 HydrophobicContact CB-CD1 3.37Å; V626-L630 HydrophobicContact CG1-CD1 3.99Å; V626-L630 WeakPolarHBondContact O-CG 3.35Å; V626-L630 PolarHBondContact O-N 3.39Å; C627-L630 PolarHBondContact O-N 3.18Å; L630-R632 VanDerWaalsContact C-N 3.32Å; L630-R632 PolarHBondContact O-N 2.82Å; L630-A633 PolarHBondContact O-N 3.06Å; L630-A634 WeakPolarHBondContact O-CB 3.37Å; L630-A634 PolarHBondContact O-N 3.05Å
631	F	98.4	Very high	97.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-57.5	-44.8	174.3	178.7	-87.6	0	0	0	111.9	V563 F568 M571 F614 C627 A634 S635 L759 L763	V563-F631 HydrophobicContact CB-CE1 4.41Å; V563-F631 HydrophobicContact CG1-CE1 3.78Å; V563-F631 HydrophobicContact CG1-CZ 4.08Å; V563-F631 HydrophobicContact CG2-CE1 3.79Å; F568-F631 AromaticContact CD2-CZ 3.84Å; F568-F631 HydrophobicContact CD2-CZ 3.84Å; M571-F631 HydrophobicContact CB-CD2 4.43Å; M571-F631 HydrophobicContact CB-CE2 3.78Å; M571-F631 HydrophobicContact CG-CE2 4.03Å; F614-F631 HydrophobicContact CD1-CD2 4.21Å; F614-F631 HydrophobicContact CD2-CB 3.68Å; F614-F631 HydrophobicContact CD2-CD2 4.38Å; F614-F631 AromaticContact CE1-CD2 3.74Å; F614-F631 HydrophobicContact CE1-CD2 3.74Å; F614-F631 HydrophobicContact CE1-CE2 4.44Å; F614-F631 HydrophobicContact CE2-CB 3.69Å; F614-F631 AromaticContact CE2-CD2 3.93Å; F614-F631 HydrophobicContact CE2-CD2 3.93Å; F614-F631 HydrophobicContact CE2-CG 4.3Å; F614-F631 HydrophobicContact CG-CB 4.27Å; F614-F631 HydrophobicContact CZ-CB 4.27Å; F614-F631 AromaticContact CZ-CD2 3.6Å; F614-F631 HydrophobicContact CZ-CD2 3.6Å; F614-F631 HydrophobicContact CZ-CG 4.41Å; C627-F631 VanDerWaalsContact O-CB 3.3Å; C627-F631 WeakPolarHBondContact O-CB 3.35Å; C627-F631 PolarHBondContact O-N 2.92Å; F631-A634 PolarHBondContact O-N 2.87Å; F631-S635 WeakPolarHBondContact CE1-OG 3.41Å; F631-S635 WeakPolarHBondContact CZ-OG 3.34Å; F631-S635 WeakPolarHBondContact O-CB 3.28Å; F631-S635 PolarHBondContact O-N 3.4Å; F631-S635 PolarHBondContact O-OG 3.31Å; F631-L759 HydrophobicContact CD2-CD2 3.85Å; F631-L759 HydrophobicContact CE2-CD1 3.99Å; F631-L759 HydrophobicContact CE2-CD2 3.75Å; F631-L759 HydrophobicContact CE2-CG 4.36Å; F631-L763 HydrophobicContact CD1-CD1 3.9Å; F631-L763 HydrophobicContact CD1-CD2 3.67Å; F631-L763 HydrophobicContact CD1-CG 4.32Å; F631-L763 HydrophobicContact CE1-CD1 3.44Å; F631-L763 VanDerWaalsContact CE1-CD1 3.44Å; F631-L763 HydrophobicContact CE1-CD2 4.08Å; F631-L763 HydrophobicContact CE1-CG 4.33Å; F631-L763 HydrophobicContact CE2-CD1 4.47Å; F631-L763 HydrophobicContact CG-CD2 4.25Å; F631-L763 HydrophobicContact CZ-CD1 3.75Å
632	R	97.4	Very high	97.3	Very high	142 Å²	142	57.4 Å²	57.4	54%	0.536	28%	0.278	S	S	.	.	H	α-helix	trans	-62.9	-44.7	177	-74.9	-179.6	-177.1	177.7	4.1	111.4	R628 R629 L630 A634 S635 E636	R628-R632 WeakPolarHBondContact O-CG 3.4Å; R628-R632 PolarHBondContact O-N 3.47Å; R628-R632 VanDerWaalsContact O-N 3.07Å; R629-R632 PolarHBondContact O-N 3.48Å; L630-R632 VanDerWaalsContact C-N 3.32Å; L630-R632 PolarHBondContact O-N 2.82Å; R632-A634 PolarHBondContact O-N 2.9Å; R632-S635 PolarHBondContact O-N 3.38Å; R632-E636 WeakPolarHBondContact O-CB 3.45Å; R632-E636 VanDerWaalsContact O-CG 3.3Å; R632-E636 WeakPolarHBondContact O-CG 3.41Å; R632-E636 PolarHBondContact O-N 3.43Å
633	A	98.3	Very high	97.2	Very high	42 Å²	42	56 Å²	56	35%	0.347	27%	0.268	S	S	.	.	H	α-helix	trans	-60.5	-43.9	176.3	0	0	0	0	0	112	R629 L630 E636 K637	R629-A633 PolarHBondContact O-N 3.41Å; L630-A633 PolarHBondContact O-N 3.06Å; A633-E636 PolarHBondContact O-N 2.8Å; A633-K637 WeakPolarHBondContact O-CB 3.24Å; A633-K637 PolarHBondContact O-N 2.75Å
634	A	98.6	Very high	97.2	Very high	1 Å²	1	54 Å²	54	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-43.5	176.7	0	0	0	0	0	112.3	M571 E610 F614 L630 F631 R632 K637 H638	M571-A634 HydrophobicContact SD-CB 3.53Å; M571-A634 VanDerWaalsContact SD-CB 3.53Å; E610-A634 HydrophobicContact CB-CB 4.2Å; F614-A634 HydrophobicContact CB-CB 4.19Å; L630-A634 WeakPolarHBondContact O-CB 3.37Å; L630-A634 PolarHBondContact O-N 3.05Å; F631-A634 PolarHBondContact O-N 2.87Å; R632-A634 PolarHBondContact O-N 2.9Å; A634-K637 PolarHBondContact O-N 2.7Å; A634-H638 WeakPolarHBondContact O-CB 3.38Å; A634-H638 PolarHBondContact O-N 3.14Å
635	S	97.9	Very high	97.3	Very high	9 Å²	9	52 Å²	52	6%	0.063	24%	0.237	C	C	.	.	H	α-helix	trans	-64.4	-40.9	176.5	-62.9	0	0	0	0	112.4	F631 R632 H638 Q639	F631-S635 WeakPolarHBondContact CE1-OG 3.41Å; F631-S635 WeakPolarHBondContact CZ-OG 3.34Å; F631-S635 WeakPolarHBondContact O-CB 3.28Å; F631-S635 PolarHBondContact O-N 3.4Å; F631-S635 PolarHBondContact O-OG 3.31Å; R632-S635 PolarHBondContact O-N 3.38Å; S635-H638 PolarHBondContact O-N 3.38Å; S635-Q639 WeakPolarHBondContact O-CG 3.49Å; S635-Q639 PolarHBondContact O-N 3.36Å
636	E	96.5	Very high	97.3	Very high	137 Å²	137	48.2 Å²	48.2	64%	0.64	22%	0.216	S	C	*	.	H	α-helix	trans	-67.2	-41.2	176.4	-75.3	174.7	-175.1	0	0	111.7	R632 A633 Q639 Q640	R632-E636 WeakPolarHBondContact O-CB 3.45Å; R632-E636 VanDerWaalsContact O-CG 3.3Å; R632-E636 WeakPolarHBondContact O-CG 3.41Å; R632-E636 PolarHBondContact O-N 3.43Å; A633-E636 PolarHBondContact O-N 2.8Å; E636-Q639 PolarHBondContact O-N 3.47Å; E636-Q640 WeakPolarHBondContact O-CB 3.36Å; E636-Q640 PolarHBondContact O-N 2.77Å
637	K	97.9	Very high	97.3	Very high	28 Å²	28	47.5 Å²	47.5	12%	0.122	21%	0.212	C	C	.	.	H	α-helix	trans	-60.5	-47.9	173.4	-178.6	71.2	168	-156.8	0	111.3	E187 E610 A633 A634 Q639 Q640 L641	E187-K637 IonicContact OE2-NZ 2.79Å; E187-K637 PolarHBondContact OE2-NZ 2.87Å; E610-K637 HydrophobicContact CB-CB 4.25Å; E610-K637 HydrophobicContact CG-CB 4.13Å; E610-K637 HydrophobicContact CG-CG 4.28Å; E610-K637 VanDerWaalsContact OE1-CD 3.28Å; E610-K637 WeakPolarHBondContact OE1-CD 3.38Å; E610-K637 WeakPolarHBondContact OE1-CE 3.4Å; E610-K637 IonicContact OE1-NZ 3.48Å; E610-K637 PolarHBondContact OE1-NZ 2.9Å; E610-K637 WeakPolarHBondContact OE2-CG 3.45Å; A633-K637 WeakPolarHBondContact O-CB 3.24Å; A633-K637 PolarHBondContact O-N 2.75Å; A634-K637 PolarHBondContact O-N 2.7Å; K637-Q639 VanDerWaalsContact C-N 3.34Å; K637-Q639 PolarHBondContact O-N 3.02Å; K637-Q640 WeakPolarHBondContact O-CB 3.3Å; K637-Q640 PolarHBondContact O-N 3.31Å; K637-Q640 VanDerWaalsContact O-N 3.14Å; K637-L641 HydrophobicContact CG-CD1 4.12Å; K637-L641 HydrophobicContact CG-CG 4.45Å; K637-L641 WeakPolarHBondContact O-CG 3.38Å; K637-L641 PolarHBondContact O-N 2.8Å
638	H	98.3	Very high	97.2	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.009	21%	0.214	C	C	.	.	H	α-helix	trans	-56	-49.1	176.7	175.4	-87	0	0	0	111.4	D566 A567 Q570 M571 E589 A634 S635 Q640 L641 Y642	D566-H638 IonicContact OD2-CE1 2.87Å; D566-H638 PolarHBondContact OD2-CE1 3.46Å; A567-H638 WeakPolarHBondContact CA-ND1 3.31Å; A567-H638 HydrophobicContact CB-CB 4.29Å; A567-H638 WeakPolarHBondContact CB-ND1 3.37Å; Q570-H638 WeakPolarHBondContact CG-NE2 3.48Å; M571-H638 HydrophobicContact CE-CB 4.38Å; E589-H638 IonicContact OE1-CE1 3.81Å; E589-H638 IonicContact OE1-NE2 3.73Å; E589-H638 IonicContact OE2-CD2 3.17Å; E589-H638 IonicContact OE2-CE1 3.26Å; E589-H638 PolarHBondContact OE2-CE1 2.72Å; E589-H638 IonicContact OE2-NE2 2.77Å; E589-H638 PolarHBondContact OE2-NE2 2.95Å; A634-H638 WeakPolarHBondContact O-CB 3.38Å; A634-H638 PolarHBondContact O-N 3.14Å; S635-H638 PolarHBondContact O-N 3.38Å; H638-Q640 VanDerWaalsContact C-N 3.31Å; H638-Q640 PolarHBondContact O-N 3.26Å; H638-L641 WeakPolarHBondContact O-CB 3.28Å; H638-L641 PolarHBondContact O-N 2.88Å; H638-L641 VanDerWaalsContact O-N 3.13Å; H638-Y642 PolarHBondContact O-N 3.04Å
639	Q	96.5	Very high	97.1	Very high	37 Å²	37	44.6 Å²	44.6	17%	0.173	21%	0.209	C	C	.	.	H	α-helix	trans	-63.1	-35.3	177	-71.8	-66.6	-67.5	0	0	113.1	S564 A567 S635 E636 K637 R643	S564-Q639 VanDerWaalsContact CB-CD 3.41Å; S564-Q639 PolarHBondContact OG-NE2 3.44Å; A567-Q639 HydrophobicContact CB-CG 4.13Å; S635-Q639 WeakPolarHBondContact O-CG 3.49Å; S635-Q639 PolarHBondContact O-N 3.36Å; E636-Q639 PolarHBondContact O-N 3.47Å; K637-Q639 VanDerWaalsContact C-N 3.34Å; K637-Q639 PolarHBondContact O-N 3.02Å; Q639-R643 WeakPolarHBondContact O-CD 3.37Å; Q639-R643 VanDerWaalsContact O-CG 3.24Å; Q639-R643 WeakPolarHBondContact O-CG 3.4Å; Q639-R643 PolarHBondContact O-N 3.11Å
640	Q	96.6	Very high	97.1	Very high	88 Å²	88	37.3 Å²	37.3	41%	0.411	18%	0.184	S	C	.	.	H	α-helix	trans	-64	-45.5	173	-173.9	-172.3	13.2	0	0	111.2	E636 K637 H638 R643 M644	E636-Q640 WeakPolarHBondContact O-CB 3.36Å; E636-Q640 PolarHBondContact O-N 2.77Å; K637-Q640 WeakPolarHBondContact O-CB 3.3Å; K637-Q640 PolarHBondContact O-N 3.31Å; K637-Q640 VanDerWaalsContact O-N 3.14Å; H638-Q640 VanDerWaalsContact C-N 3.31Å; H638-Q640 PolarHBondContact O-N 3.26Å; Q640-R643 PolarHBondContact O-N 3.3Å; Q640-M644 HydrophobicContact CG-CE 4Å; Q640-M644 WeakPolarHBondContact O-CG 3.47Å; Q640-M644 PolarHBondContact O-N 3.22Å
641	L	97.6	Very high	97	Very high	35 Å²	35	35.9 Å²	35.9	18%	0.183	18%	0.176	C	C	.	.	H	α-helix	trans	-60.3	-44.9	176.2	-67.9	168.4	0	0	0	111.2	V604 K637 H638 R643 M644 A645	V604-L641 HydrophobicContact CG1-CB 3.96Å; K637-L641 HydrophobicContact CG-CD1 4.12Å; K637-L641 HydrophobicContact CG-CG 4.45Å; K637-L641 WeakPolarHBondContact O-CG 3.38Å; K637-L641 PolarHBondContact O-N 2.8Å; H638-L641 WeakPolarHBondContact O-CB 3.28Å; H638-L641 PolarHBondContact O-N 2.88Å; H638-L641 VanDerWaalsContact O-N 3.13Å; L641-R643 PolarHBondContact O-N 2.99Å; L641-M644 HydrophobicContact CD2-CE 3.73Å; L641-M644 HydrophobicContact CG-CE 4.44Å; L641-M644 PolarHBondContact O-N 2.86Å; L641-A645 WeakPolarHBondContact O-CB 2.96Å; L641-A645 PolarHBondContact O-N 2.94Å
642	Y	96.2	Very high	97	Very high	47 Å²	47	36.6 Å²	36.6	18%	0.184	18%	0.18	C	C	.	.	H	α-helix	trans	-60.3	-45.4	177	-163	-86.2	0	0	0	112.4	V604 H638 M644 A645 M646	V604-Y642 HydrophobicContact CG2-CD2 3.86Å; V604-Y642 HydrophobicContact CG2-CG 4.34Å; H638-Y642 PolarHBondContact O-N 3.04Å; Y642-M644 PolarHBondContact O-N 3.05Å; Y642-A645 PolarHBondContact O-N 3.23Å; Y642-M646 HydrophobicContact CD1-CG 4.02Å; Y642-M646 HydrophobicContact CD1-SD 3.79Å; Y642-M646 HydrophobicContact CE1-CG 3.82Å; Y642-M646 HydrophobicContact CE1-SD 3.36Å; Y642-M646 WeakPolarHBondContact CE1-SD 3.39Å; Y642-M646 WeakPolarHBondContact O-CG 3.26Å; Y642-M646 PolarHBondContact O-N 3.11Å
643	R	95.9	Very high	97	Very high	74 Å²	74	30.1 Å²	30.1	28%	0.279	16%	0.155	S	C	.	.	H	α-helix	trans	-62.8	-40.9	174.9	-68.9	162.9	-171.1	160.1	9.8	111.9	M135 F136 Q639 Q640 L641 T647	M135-R643 WeakPolarHBondContact O-CD 3.29Å; M135-R643 PolarHBondContact O-NE 3.14Å; F136-R643 HydrophobicContact CD1-CB 4.19Å; F136-R643 HydrophobicContact CE1-CB 3.65Å; F136-R643 HydrophobicContact CZ-CB 3.89Å; Q639-R643 WeakPolarHBondContact O-CD 3.37Å; Q639-R643 VanDerWaalsContact O-CG 3.24Å; Q639-R643 WeakPolarHBondContact O-CG 3.4Å; Q639-R643 PolarHBondContact O-N 3.11Å; Q640-R643 PolarHBondContact O-N 3.3Å; L641-R643 PolarHBondContact O-N 2.99Å; R643-T647 WeakPolarHBondContact O-CG2 3.41Å; R643-T647 PolarHBondContact O-N 2.83Å; R643-T647 VanDerWaalsContact O-N 3.12Å; R643-T647 PolarHBondContact O-OG1 3.37Å; R643-T647 VanDerWaalsContact O-OG1 3.07Å
644	M	96.8	Very high	97	Very high	26 Å²	26	28.1 Å²	28.1	13%	0.128	14%	0.139	C	C	.	.	H	α-helix	trans	-64.1	-41.7	175.8	-74.3	-168.2	-70.7	0	0	111.9	F136 R184 Q640 L641 Y642 T647 G648 A649 G650	F136-M644 HydrophobicContact CE1-CG 4.16Å; F136-M644 HydrophobicContact CZ-CG 4.31Å; R184-M644 PolarHBondContact NH1-SD 3.35Å; Q640-M644 HydrophobicContact CG-CE 4Å; Q640-M644 WeakPolarHBondContact O-CG 3.47Å; Q640-M644 PolarHBondContact O-N 3.22Å; L641-M644 HydrophobicContact CD2-CE 3.73Å; L641-M644 HydrophobicContact CG-CE 4.44Å; L641-M644 PolarHBondContact O-N 2.86Å; Y642-M644 PolarHBondContact O-N 3.05Å; M644-T647 PolarHBondContact O-N 3.01Å; M644-T647 PolarHBondContact O-OG1 3.44Å; M644-T647 VanDerWaalsContact O-OG1 3.13Å; M644-G648 PolarHBondContact O-N 2.89Å; M644-A649 HydrophobicContact CB-CB 4.2Å; M644-A649 CarbonylContact O-C 3.57Å; M644-A649 VanDerWaalsContact O-CA 3.28Å; M644-A649 WeakPolarHBondContact O-CA 3.5Å; M644-A649 WeakPolarHBondContact O-CB 3.47Å; M644-A649 PolarHBondContact O-N 3.41Å; M644-G650 PolarHBondContact O-N 3.05Å
645	A	97	Very high	96.9	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-62	-49.8	176.3	0	0	0	0	0	111.1	E602 V604 L641 Y642 T647 G648	E602-A645 HydrophobicContact CB-CB 4.1Å; E602-A645 HydrophobicContact CG-CB 3.76Å; V604-A645 HydrophobicContact CG2-CB 3.7Å; L641-A645 WeakPolarHBondContact O-CB 2.96Å; L641-A645 PolarHBondContact O-N 2.94Å; Y642-A645 PolarHBondContact O-N 3.23Å; A645-T647 VanDerWaalsContact C-N 3.26Å; A645-T647 PolarHBondContact O-N 3.28Å; A645-G648 PolarHBondContact O-N 2.97Å
646	M	95.5	Very high	96.9	Very high	15 Å²	15	28.7 Å²	28.7	7%	0.074	14%	0.14	C	C	.	.	H	α-helix	trans	-59	-33.3	178.1	-73.7	-168.6	71.7	0	0	113.6	M135 S591 M592 L595 F596 Y642 G648	M135-M646 HydrophobicContact CE-CB 3.95Å; M135-M646 HydrophobicContact SD-CE 4.37Å; M135-M646 HydrophobicContact SD-SD 4.46Å; S591-M646 WeakPolarHBondContact OG-CG 3.47Å; M592-M646 HydrophobicContact CE-CE 3.54Å; M592-M646 HydrophobicContact CG-CE 4.28Å; L595-M646 HydrophobicContact CD1-CB 4.44Å; L595-M646 HydrophobicContact CD1-CE 4.29Å; F596-M646 WeakPolarHBondContact CE2-O 3.27Å; Y642-M646 HydrophobicContact CD1-CG 4.02Å; Y642-M646 HydrophobicContact CD1-SD 3.79Å; Y642-M646 HydrophobicContact CE1-CG 3.82Å; Y642-M646 HydrophobicContact CE1-SD 3.36Å; Y642-M646 WeakPolarHBondContact CE1-SD 3.39Å; Y642-M646 WeakPolarHBondContact O-CG 3.26Å; Y642-M646 PolarHBondContact O-N 3.11Å; M646-G648 VanDerWaalsContact C-N 3.28Å; M646-G648 PolarHBondContact O-N 3.18Å
647	T	96.1	Very high	96.9	Very high	15 Å²	15	22.2 Å²	22.2	9%	0.092	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	10.2	177.4	55.9	0	0	0	0	114.8	H132 M135 F136 F596 R643 M644 A645 A649	H132-T647 HydrophobicContact CB-CG2 3.41Å; H132-T647 VanDerWaalsContact CB-CG2 3.41Å; M135-T647 HydrophobicContact CE-CG2 3.01Å; F136-T647 HydrophobicContact CE2-CG2 3.92Å; F136-T647 HydrophobicContact CZ-CG2 4.31Å; F596-T647 VanDerWaalsContact CE2-C 3.47Å; F596-T647 VanDerWaalsContact CZ-C 3.5Å; F596-T647 VanDerWaalsContact CZ-O 3.27Å; F596-T647 WeakPolarHBondContact CZ-O 3.43Å; R643-T647 WeakPolarHBondContact O-CG2 3.41Å; R643-T647 PolarHBondContact O-N 2.83Å; R643-T647 VanDerWaalsContact O-N 3.12Å; R643-T647 PolarHBondContact O-OG1 3.37Å; R643-T647 VanDerWaalsContact O-OG1 3.07Å; M644-T647 PolarHBondContact O-N 3.01Å; M644-T647 PolarHBondContact O-OG1 3.44Å; M644-T647 VanDerWaalsContact O-OG1 3.13Å; A645-T647 VanDerWaalsContact C-N 3.26Å; A645-T647 PolarHBondContact O-N 3.28Å; T647-A649 PolarHBondContact O-N 3.44Å
648	G	95.9	Very high	96.9	Very high	5 Å²	5	20.9 Å²	20.9	5%	0.052	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	21.7	-179.5	0	0	0	0	0	113	P176 M644 A645 M646	P176-G648 WeakPolarHBondContact CG-O 3.49Å; M644-G648 PolarHBondContact O-N 2.89Å; A645-G648 PolarHBondContact O-N 2.97Å; M646-G648 VanDerWaalsContact C-N 3.28Å; M646-G648 PolarHBondContact O-N 3.18Å
649	A	96.3	Very high	96.8	Very high	28 Å²	28	24.1 Å²	24.1	23%	0.231	12%	0.117	C	C	.	.			trans	-103.1	15.3	173.1	0	0	0	0	0	112.1	R184 M644 T647	R184-A649 PolarHBondContact NH1-O 2.91Å; R184-A649 PolarHBondContact NH2-O 2.85Å; M644-A649 HydrophobicContact CB-CB 4.2Å; M644-A649 CarbonylContact O-C 3.57Å; M644-A649 VanDerWaalsContact O-CA 3.28Å; M644-A649 WeakPolarHBondContact O-CA 3.5Å; M644-A649 WeakPolarHBondContact O-CB 3.47Å; M644-A649 PolarHBondContact O-N 3.41Å; T647-A649 PolarHBondContact O-N 3.44Å
650	G	95.9	Very high	96.7	Very high	8 Å²	8	22.7 Å²	22.7	8%	0.082	11%	0.11	C	C	.	.			trans	-66.3	175.5	169	0	0	0	0	0	112.6	E602 M644	E602-G650 WeakPolarHBondContact OE2-CA 3.48Å; M644-G650 PolarHBondContact O-N 3.05Å
651	I	97.2	Very high	96.5	Very high	14 Å²	14	18.9 Å²	18.9	7%	0.072	9%	0.093	C	C	.	.	S	Bend	trans	-112.5	-31.9	-174	62.9	175.3	0	0	0	113.3	T181 R184 H654 L655	T181-I651 HydrophobicContact CG2-CB 3.88Å; T181-I651 HydrophobicContact CG2-CG2 4.02Å; R184-I651 HydrophobicContact CB-CG2 3.81Å; I651-H654 PolarHBondContact O-N 2.86Å; I651-L655 HydrophobicContact CB-CD1 4.21Å; I651-L655 HydrophobicContact CG1-CD1 4.48Å; I651-L655 WeakPolarHBondContact O-CB 3.34Å; I651-L655 WeakPolarHBondContact O-CD1 3.45Å; I651-L655 VanDerWaalsContact O-CG 3.27Å; I651-L655 WeakPolarHBondContact O-CG 3.47Å; I651-L655 PolarHBondContact O-N 3.07Å
652	D	97.8	Very high	96.4	Very high	14 Å²	14	17.2 Å²	17.2	8%	0.075	8%	0.084	C	C	.	.	H	α-helix	trans	-71.1	-46.7	-168.4	-73.1	-85.4	0	0	0	112.5	T603 R605 H654 L655 F656 W680	T603-D652 WeakPolarHBondContact CB-OD2 3.4Å; R605-D652 IonicContact CZ-OD1 3.42Å; R605-D652 IonicContact CZ-OD2 3.5Å; R605-D652 IonicContact NE-OD1 2.69Å; R605-D652 PolarHBondContact NE-OD1 3.45Å; R605-D652 IonicContact NE-OD2 3.2Å; R605-D652 PolarHBondContact NE-OD2 2.87Å; R605-D652 IonicContact NH2-OD1 2.64Å; R605-D652 PolarHBondContact NH2-OD1 3.38Å; R605-D652 IonicContact NH2-OD2 2.68Å; D652-H654 VanDerWaalsContact C-N 3.25Å; D652-H654 PolarHBondContact O-N 3.4Å; D652-L655 PolarHBondContact O-N 3.35Å; D652-F656 VanDerWaalsContact O-CB 3.31Å; D652-F656 WeakPolarHBondContact O-CB 3.48Å; D652-F656 PolarHBondContact O-N 2.92Å; D652-W680 WeakPolarHBondContact OD1-CH2 3.37Å; D652-W680 VanDerWaalsContact OD1-CZ2 3.27Å; D652-W680 WeakPolarHBondContact OD1-CZ2 3.47Å
653	R	97.6	Very high	96.2	Very high	6 Å²	6	19.2 Å²	19.2	2%	0.023	9%	0.094	C	C	.	.	H	α-helix	trans	-63.6	-34.7	174.5	-62	-54.6	174	-77.5	1.5	112.1	V231 W235 Y588 T601 E602 T603 C657	V231-R653 HydrophobicContact CG1-CB 4.05Å; V231-R653 HydrophobicContact CG1-CG 4.1Å; V231-R653 HydrophobicContact CG2-CB 4.21Å; W235-R653 VanDerWaalsContact CH2-CZ 3.49Å; Y588-R653 PolarHBondContact OH-NH2 2.9Å; Y588-R653 VanDerWaalsContact OH-NH2 3.08Å; T601-R653 PolarHBondContact O-NE 3.35Å; T601-R653 PolarHBondContact OG1-NH2 2.98Å; E602-R653 WeakPolarHBondContact OE1-CG 3.44Å; E602-R653 PolarHBondContact OE1-N 3Å; E602-R653 VanDerWaalsContact OE1-N 3.15Å; E602-R653 IonicContact OE1-NH1 3.59Å; E602-R653 PolarHBondContact OE1-NH1 3.21Å; T603-R653 PolarHBondContact OG1-NH1 3.06Å; R653-C657 WeakPolarHBondContact O-CB 3.35Å; R653-C657 PolarHBondContact O-N 2.64Å; R653-C657 PolarHBondContact O-SG 3.42Å
654	H	98.3	Very high	95.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.7	-48.6	177.6	-173.5	-156	0	0	0	112	P176 T181 Q217 L220 I651 D652 F656 C657 L658	P176-H654 HydrophobicContact CG-CB 4.14Å; P176-H654 PolarHBondContact O-CE1 2.9Å; T181-H654 HydrophobicContact CG2-CB 4.33Å; T181-H654 PolarHBondContact OG1-CE1 2.89Å; T181-H654 PolarHBondContact OG1-ND1 3.4Å; Q217-H654 PolarHBondContact OE1-CE1 3.17Å; Q217-H654 PolarHBondContact OE1-NE2 2.96Å; L220-H654 VanDerWaalsContact CD2-CD2 3.46Å; L220-H654 WeakPolarHBondContact CD2-CD2 3.31Å; I651-H654 PolarHBondContact O-N 2.86Å; D652-H654 VanDerWaalsContact C-N 3.25Å; D652-H654 PolarHBondContact O-N 3.4Å; H654-F656 VanDerWaalsContact C-N 3.33Å; H654-F656 PolarHBondContact O-N 3.16Å; H654-C657 PolarHBondContact O-N 3.48Å; H654-L658 VanDerWaalsContact O-CG 3.31Å; H654-L658 WeakPolarHBondContact O-CG 3.17Å; H654-L658 PolarHBondContact O-N 2.87Å
655	L	98	Very high	95.5	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-61.2	-41.4	176.5	-70.3	161.5	0	0	0	111.5	T181 Y185 I651 D652 L658 Y659 F671 L672 V675	T181-L655 HydrophobicContact CG2-CD1 4.12Å; T181-L655 HydrophobicContact CG2-CD2 3.93Å; T181-L655 HydrophobicContact CG2-CG 3.71Å; Y185-L655 HydrophobicContact CD2-CD1 4.05Å; Y185-L655 HydrophobicContact CG-CD1 4.42Å; I651-L655 HydrophobicContact CB-CD1 4.21Å; I651-L655 HydrophobicContact CG1-CD1 4.48Å; I651-L655 WeakPolarHBondContact O-CB 3.34Å; I651-L655 WeakPolarHBondContact O-CD1 3.45Å; I651-L655 VanDerWaalsContact O-CG 3.27Å; I651-L655 WeakPolarHBondContact O-CG 3.47Å; I651-L655 PolarHBondContact O-N 3.07Å; D652-L655 PolarHBondContact O-N 3.35Å; L655-L658 PolarHBondContact O-N 3.19Å; L655-Y659 PolarHBondContact O-N 3.46Å; L655-F671 HydrophobicContact CD2-CE1 3.83Å; L655-F671 HydrophobicContact CD2-CZ 4.31Å; L655-L672 HydrophobicContact CD2-CD2 4.05Å; L655-V675 HydrophobicContact CB-CG1 4.17Å; L655-V675 HydrophobicContact CD1-CG1 3.75Å; L655-V675 HydrophobicContact CD2-CG1 4.49Å; L655-V675 HydrophobicContact CG-CG1 4.33Å
656	F	97.1	Very high	95.3	Very high	22 Å²	22	26.6 Å²	26.6	10%	0.096	15%	0.146	C	C	.	.	H	α-helix	trans	-57.8	-50.9	172.6	163.9	-102.3	0	0	0	112.1	W234 W235 Y238 V239 D652 H654 L658 Y659 V660	W234-F656 HydrophobicContact CB-CE1 4.04Å; W234-F656 HydrophobicContact CB-CZ 4.3Å; W235-F656 HydrophobicContact CE3-CD1 4.13Å; W235-F656 HydrophobicContact CE3-CE1 4.08Å; W235-F656 HydrophobicContact CE3-CZ 4.45Å; Y238-F656 HydrophobicContact CD2-CZ 4.21Å; Y238-F656 HydrophobicContact CG-CZ 4.41Å; V239-F656 HydrophobicContact CG2-CE2 4.13Å; V239-F656 HydrophobicContact CG2-CZ 4.27Å; D652-F656 VanDerWaalsContact O-CB 3.31Å; D652-F656 WeakPolarHBondContact O-CB 3.48Å; D652-F656 PolarHBondContact O-N 2.92Å; H654-F656 VanDerWaalsContact C-N 3.33Å; H654-F656 PolarHBondContact O-N 3.16Å; F656-L658 VanDerWaalsContact C-N 3.34Å; F656-L658 PolarHBondContact O-N 3.03Å; F656-Y659 WeakPolarHBondContact O-CB 3.38Å; F656-Y659 PolarHBondContact O-N 3.11Å; F656-Y659 VanDerWaalsContact O-N 3.12Å; F656-V660 HydrophobicContact CD2-CG2 4.27Å; F656-V660 HydrophobicContact CE1-CG2 4.17Å; F656-V660 HydrophobicContact CE2-CG2 3.75Å; F656-V660 HydrophobicContact CZ-CG2 3.69Å; F656-V660 WeakPolarHBondContact O-CG2 3.47Å; F656-V660 PolarHBondContact O-N 3.03Å
657	C	97.1	Very high	95.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.9	-37.8	179.2	-71.4	0	0	0	0	112.6	L220 Y230 W234 R653 H654 Y659 V660 V661	L220-C657 HydrophobicContact CD1-CB 3.71Å; L220-C657 HydrophobicContact CD2-CB 3.96Å; Y230-C657 HydrophobicContact CD2-CB 4.42Å; Y230-C657 HydrophobicContact CE2-CB 4.26Å; W234-C657 HydrophobicContact CE3-CB 4.23Å; W234-C657 HydrophobicContact CZ3-CB 4.19Å; R653-C657 WeakPolarHBondContact O-CB 3.35Å; R653-C657 PolarHBondContact O-N 2.64Å; R653-C657 PolarHBondContact O-SG 3.42Å; H654-C657 PolarHBondContact O-N 3.48Å; C657-Y659 VanDerWaalsContact C-N 3.3Å; C657-Y659 PolarHBondContact O-N 3.4Å; C657-V660 PolarHBondContact O-N 3.49Å; C657-V661 WeakPolarHBondContact O-CG2 3.37Å; C657-V661 PolarHBondContact O-N 3.29Å
658	L	97.3	Very high	95	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-40.5	173.5	-68.4	170	0	0	0	111	F208 L216 L220 H654 L655 F656 V661 S662 L672	F208-L658 HydrophobicContact CE1-CD1 4.32Å; F208-L658 HydrophobicContact CZ-CD1 4.2Å; L216-L658 HydrophobicContact CB-CD2 3.64Å; L216-L658 HydrophobicContact CD1-CB 4.4Å; L220-L658 HydrophobicContact CD2-CD2 4.15Å; L220-L658 HydrophobicContact CD2-CG 4.37Å; H654-L658 VanDerWaalsContact O-CG 3.31Å; H654-L658 WeakPolarHBondContact O-CG 3.17Å; H654-L658 PolarHBondContact O-N 2.87Å; L655-L658 PolarHBondContact O-N 3.19Å; F656-L658 VanDerWaalsContact C-N 3.34Å; F656-L658 PolarHBondContact O-N 3.03Å; L658-V661 PolarHBondContact O-N 3.18Å; L658-S662 PolarHBondContact O-N 3.39Å; L658-L672 HydrophobicContact CB-CD1 4.25Å; L658-L672 HydrophobicContact CB-CD2 4.33Å
659	Y	96	Very high	94.9	Very high	70 Å²	70	31.5 Å²	31.5	28%	0.275	17%	0.173	S	C	.	.	H	α-helix	trans	-63.1	-45.4	174.5	178.1	-103	0	0	0	112.4	L655 F656 C657 V661 S662 K663 L672 K673 L676	L655-Y659 PolarHBondContact O-N 3.46Å; F656-Y659 WeakPolarHBondContact O-CB 3.38Å; F656-Y659 PolarHBondContact O-N 3.11Å; F656-Y659 VanDerWaalsContact O-N 3.12Å; C657-Y659 VanDerWaalsContact C-N 3.3Å; C657-Y659 PolarHBondContact O-N 3.4Å; Y659-V661 VanDerWaalsContact C-N 3.32Å; Y659-V661 PolarHBondContact O-N 2.95Å; Y659-S662 WeakPolarHBondContact O-CB 3.31Å; Y659-S662 PolarHBondContact O-N 2.83Å; Y659-S662 PolarHBondContact O-OG 3.15Å; Y659-K663 HydrophobicContact CD1-CG 4.46Å; Y659-K663 HydrophobicContact CE1-CG 4.09Å; Y659-K663 HydrophobicContact CE2-CD 4.43Å; Y659-K663 HydrophobicContact CE2-CG 4.41Å; Y659-K663 PolarHBondContact O-N 2.69Å; Y659-K663 WeakPolarHBondContact OH-CE 3.36Å; Y659-L672 HydrophobicContact CD2-CB 3.95Å; Y659-K673 HydrophobicContact CE2-CG 4.5Å; Y659-L676 VanDerWaalsContact CB-CD1 3.44Å; Y659-L676 HydrophobicContact CD1-CD1 3.5Å; Y659-L676 HydrophobicContact CD2-CD1 3.71Å; Y659-L676 HydrophobicContact CE1-CD1 4.11Å; Y659-L676 HydrophobicContact CE2-CD1 4.28Å; Y659-L676 HydrophobicContact CG-CD1 3.26Å
660	V	93.8	Very high	94.8	Very high	7 Å²	7	34 Å²	34	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-57	-46.5	175.4	172.7	0	0	0	0	111	W234 Y238 F656 C657 S662 K663 Y664	W234-V660 HydrophobicContact CD2-CB 4.38Å; W234-V660 HydrophobicContact CD2-CG1 3.65Å; W234-V660 HydrophobicContact CE3-CB 4.04Å; W234-V660 HydrophobicContact CE3-CG1 3.75Å; W234-V660 HydrophobicContact CG-CG1 4.16Å; W234-V660 HydrophobicContact CH2-CG1 4.17Å; W234-V660 HydrophobicContact CZ2-CG1 4.07Å; W234-V660 HydrophobicContact CZ3-CB 4.26Å; W234-V660 HydrophobicContact CZ3-CG1 4.02Å; Y238-V660 HydrophobicContact CD2-CG1 4.33Å; Y238-V660 HydrophobicContact CD2-CG2 4.01Å; Y238-V660 HydrophobicContact CE2-CG1 3.75Å; Y238-V660 HydrophobicContact CE2-CG2 4.26Å; F656-V660 HydrophobicContact CD2-CG2 4.27Å; F656-V660 HydrophobicContact CE1-CG2 4.17Å; F656-V660 HydrophobicContact CE2-CG2 3.75Å; F656-V660 HydrophobicContact CZ-CG2 3.69Å; F656-V660 WeakPolarHBondContact O-CG2 3.47Å; F656-V660 PolarHBondContact O-N 3.03Å; C657-V660 PolarHBondContact O-N 3.49Å; V660-S662 VanDerWaalsContact C-N 3.32Å; V660-S662 PolarHBondContact O-N 2.87Å; V660-K663 PolarHBondContact O-N 3.27Å; V660-Y664 HydrophobicContact CG1-CD2 3.78Å; V660-Y664 HydrophobicContact CG1-CE2 3.49Å; V660-Y664 VanDerWaalsContact CG1-CE2 3.49Å; V660-Y664 VanDerWaalsContact O-CD2 3.29Å; V660-Y664 WeakPolarHBondContact O-CD2 3.49Å; V660-Y664 PolarHBondContact O-N 3.14Å
661	V	94	Very high	94.8	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.042	18%	0.184	C	C	.	.	H	α-helix	trans	-59.9	-42.1	175	176.7	0	0	0	0	111.3	L216 Y219 W234 C657 L658 Y659 K663 Y664 L665	L216-V661 HydrophobicContact CB-CG1 4.35Å; L216-V661 HydrophobicContact CD2-CB 4.2Å; L216-V661 HydrophobicContact CD2-CG1 3.65Å; Y219-V661 HydrophobicContact CD2-CG1 4.23Å; Y219-V661 HydrophobicContact CG-CG1 4.23Å; W234-V661 HydrophobicContact CH2-CG2 3.66Å; W234-V661 HydrophobicContact CZ3-CG2 3.89Å; C657-V661 WeakPolarHBondContact O-CG2 3.37Å; C657-V661 PolarHBondContact O-N 3.29Å; L658-V661 PolarHBondContact O-N 3.18Å; Y659-V661 VanDerWaalsContact C-N 3.32Å; Y659-V661 PolarHBondContact O-N 2.95Å; V661-K663 VanDerWaalsContact C-N 3.25Å; V661-K663 PolarHBondContact O-N 2.84Å; V661-Y664 PolarHBondContact O-N 2.81Å; V661-L665 HydrophobicContact CG1-CD1 4.07Å; V661-L665 HydrophobicContact CG1-CG 4.37Å; V661-L665 WeakPolarHBondContact O-CG 3.4Å; V661-L665 PolarHBondContact O-N 3.49Å
662	S	94.4	Very high	94.7	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.007	18%	0.181	C	C	.	.	H	α-helix	trans	-59.2	-38.6	178.3	78.2	0	0	0	0	112.1	L658 Y659 V660 L665 G666 V667	L658-S662 PolarHBondContact O-N 3.39Å; Y659-S662 WeakPolarHBondContact O-CB 3.31Å; Y659-S662 PolarHBondContact O-N 2.83Å; Y659-S662 PolarHBondContact O-OG 3.15Å; V660-S662 VanDerWaalsContact C-N 3.32Å; V660-S662 PolarHBondContact O-N 2.87Å; S662-L665 PolarHBondContact O-N 3.33Å; S662-G666 PolarHBondContact O-N 3.36Å; S662-V667 CarbonylContact C-O 3.52Å; S662-V667 WeakPolarHBondContact CB-O 3.34Å; S662-V667 PolarHBondContact O-N 2.86Å; S662-V667 VanDerWaalsContact O-O 3.13Å
663	K	92.4	Very high	94.4	Very high	88 Å²	88	36.8 Å²	36.8	38%	0.383	20%	0.196	S	C	.	.	H	α-helix	trans	-69.2	-40.1	176.3	-64.5	-50.9	-177	178.7	0	112.9	Y659 V660 V661 L665 G666 D668	Y659-K663 HydrophobicContact CD1-CG 4.46Å; Y659-K663 HydrophobicContact CE1-CG 4.09Å; Y659-K663 HydrophobicContact CE2-CD 4.43Å; Y659-K663 HydrophobicContact CE2-CG 4.41Å; Y659-K663 PolarHBondContact O-N 2.69Å; Y659-K663 WeakPolarHBondContact OH-CE 3.36Å; V660-K663 PolarHBondContact O-N 3.27Å; V661-K663 VanDerWaalsContact C-N 3.25Å; V661-K663 PolarHBondContact O-N 2.84Å; K663-L665 VanDerWaalsContact C-N 3.26Å; K663-L665 PolarHBondContact O-N 3.42Å; K663-G666 PolarHBondContact O-N 3.23Å; K663-G666 VanDerWaalsContact O-N 3.12Å; K663-D668 IonicContact NZ-OD1 3.73Å; K663-D668 PolarHBondContact NZ-OD1 2.84Å
664	Y	89.1	Confident	94.1	Very high	137 Å²	137	38 Å²	38	54%	0.537	20%	0.202	S	C	.	.	H	α-helix	trans	-62	-33.1	172.3	-80.5	-65.3	0	0	0	113.3	W234 Y238 V660 V661 G666	W234-Y664 HydrophobicContact CZ2-CD2 4.31Å; W234-Y664 AromaticContact CZ2-CE2 3.86Å; W234-Y664 HydrophobicContact CZ2-CE2 3.86Å; Y238-Y664 PolarHBondContact OH-OH 2.94Å; V660-Y664 HydrophobicContact CG1-CD2 3.78Å; V660-Y664 HydrophobicContact CG1-CE2 3.49Å; V660-Y664 VanDerWaalsContact CG1-CE2 3.49Å; V660-Y664 VanDerWaalsContact O-CD2 3.29Å; V660-Y664 WeakPolarHBondContact O-CD2 3.49Å; V660-Y664 PolarHBondContact O-N 3.14Å; V661-Y664 PolarHBondContact O-N 2.81Å; Y664-G666 VanDerWaalsContact C-N 3.29Å
665	L	89.8	Confident	93.7	Very high	49 Å²	49	38.4 Å²	38.4	26%	0.257	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-3.7	177.6	-62.5	179.1	0	0	0	113.4	L216 Y219 V661 S662 K663 V667	L216-L665 HydrophobicContact CD2-CD1 3.76Å; Y219-L665 HydrophobicContact CD2-CD1 3.86Å; Y219-L665 HydrophobicContact CD2-CD2 4.5Å; Y219-L665 HydrophobicContact CE1-CD2 4.44Å; Y219-L665 HydrophobicContact CE2-CD1 3.67Å; Y219-L665 HydrophobicContact CE2-CD2 3.96Å; Y219-L665 HydrophobicContact CE2-CG 4.44Å; V661-L665 HydrophobicContact CG1-CD1 4.07Å; V661-L665 HydrophobicContact CG1-CG 4.37Å; V661-L665 WeakPolarHBondContact O-CG 3.4Å; V661-L665 PolarHBondContact O-N 3.49Å; S662-L665 PolarHBondContact O-N 3.33Å; K663-L665 VanDerWaalsContact C-N 3.26Å; K663-L665 PolarHBondContact O-N 3.42Å; L665-V667 HydrophobicContact CB-CG2 4.01Å; L665-V667 PolarHBondContact O-N 3.47Å
666	G	92.8	Very high	93.3	Very high	70 Å²	70	41.9 Å²	41.9	72%	0.722	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	25.8	-174.6	0	0	0	0	0	113.5	S662 K663 Y664	S662-G666 PolarHBondContact O-N 3.36Å; K663-G666 PolarHBondContact O-N 3.23Å; K663-G666 VanDerWaalsContact O-N 3.12Å; Y664-G666 VanDerWaalsContact C-N 3.29Å
667	V	93.1	Very high	92.8	Very high	42 Å²	42	44.8 Å²	44.8	26%	0.255	25%	0.246	S	C	.	.			trans	-108	131.8	-179.2	-175	0	0	0	0	109.6	L212 S662 L665	L212-V667 HydrophobicContact CD1-CB 4.46Å; L212-V667 HydrophobicContact CD1-CG1 3.87Å; L212-V667 HydrophobicContact CD2-CG1 3.85Å; S662-V667 CarbonylContact C-O 3.52Å; S662-V667 WeakPolarHBondContact CB-O 3.34Å; S662-V667 PolarHBondContact O-N 2.86Å; S662-V667 VanDerWaalsContact O-O 3.13Å; L665-V667 HydrophobicContact CB-CG2 4.01Å; L665-V667 PolarHBondContact O-N 3.47Å
668	D	91.1	Very high	92.4	Very high	91 Å²	91	47.4 Å²	47.4	49%	0.487	26%	0.261	S	S	.	.			trans	-92.4	139.3	174.3	-85.8	-27.6	0	0	0	112.1	K663 K673	K663-D668 IonicContact NZ-OD1 3.73Å; K663-D668 PolarHBondContact NZ-OD1 2.84Å; D668-K673 WeakPolarHBondContact OD1-CE 3.26Å; D668-K673 IonicContact OD1-NZ 3.31Å; D668-K673 PolarHBondContact OD1-NZ 3.21Å; D668-K673 IonicContact OD2-NZ 3.91Å; D668-K673 PolarHBondContact OD2-NZ 2.95Å
669	S	93.8	Very high	92.2	Very high	6 Å²	6	49.7 Å²	49.7	4%	0.042	28%	0.276	C	S	.	.			trans	-123	113.5	176	175.2	0	0	0	0	109.3	F208 F671 L672 K673	F208-S669 WeakPolarHBondContact CD2-OG 3.33Å; S669-F671 VanDerWaalsContact C-N 3.26Å; S669-F671 PolarHBondContact O-N 2.88Å; S669-L672 PolarHBondContact O-N 3.33Å; S669-L672 WeakPolarHBondContact OG-CG 3.32Å; S669-L672 PolarHBondContact OG-N 3.33Å; S669-K673 WeakPolarHBondContact O-CB 3.43Å; S669-K673 WeakPolarHBondContact O-CG 3.44Å; S669-K673 PolarHBondContact O-N 2.95Å
670	P	94.6	Very high	92.2	Very high	81 Å²	81	49.2 Å²	49.2	53%	0.526	27%	0.274	S	S	.	.	H	α-helix	trans	-56.5	-42.1	174.9	-25.4	34.5	0	0	0	112	L204 K673 E674	L204-P670 HydrophobicContact CD1-CB 4.5Å; L204-P670 HydrophobicContact CD2-CB 4.08Å; P670-K673 PolarHBondContact O-N 3.34Å; P670-E674 WeakPolarHBondContact O-CB 3.18Å; P670-E674 PolarHBondContact O-N 3.28Å
671	F	95.8	Very high	92.4	Very high	3 Å²	3	52.7 Å²	52.7	1%	0.013	29%	0.286	C	S	.	.	H	α-helix	trans	-58.3	-51.6	176.8	175.3	-107.6	0	0	0	112.5	V182 Y185 L204 A205 F208 L655 S669 K673 E674 V675	V182-F671 HydrophobicContact CG2-CE1 4.31Å; V182-F671 HydrophobicContact CG2-CZ 4.29Å; Y185-F671 AromaticContact CD1-CE2 3.65Å; Y185-F671 HydrophobicContact CD1-CE2 3.65Å; Y185-F671 AromaticContact CD1-CZ 3.72Å; Y185-F671 HydrophobicContact CD1-CZ 3.72Å; Y185-F671 AromaticContact CE1-CE2 3.55Å; Y185-F671 HydrophobicContact CE1-CE2 3.55Å; Y185-F671 HydrophobicContact CE1-CZ 4.01Å; Y185-F671 HydrophobicContact CG-CZ 4.28Å; L204-F671 HydrophobicContact CB-CB 4.26Å; L204-F671 HydrophobicContact CB-CD2 4.44Å; A205-F671 HydrophobicContact CB-CD2 4Å; A205-F671 HydrophobicContact CB-CE2 3.7Å; A205-F671 HydrophobicContact CB-CZ 4.41Å; F208-F671 HydrophobicContact CB-CB 3.91Å; F208-F671 HydrophobicContact CB-CD1 3.86Å; F208-F671 HydrophobicContact CB-CG 3.99Å; F208-F671 AromaticContact CD1-CD1 3.45Å; F208-F671 HydrophobicContact CD1-CD1 3.45Å; F208-F671 VanDerWaalsContact CD1-CD1 3.45Å; F208-F671 AromaticContact CD1-CE1 3.69Å; F208-F671 HydrophobicContact CD1-CE1 3.69Å; F208-F671 HydrophobicContact CD1-CG 4.4Å; F208-F671 HydrophobicContact CD2-CD1 4.12Å; F208-F671 AromaticContact CE1-CD1 3.99Å; F208-F671 HydrophobicContact CE1-CD1 3.99Å; F208-F671 HydrophobicContact CE1-CE1 4.04Å; F208-F671 HydrophobicContact CG-CB 4.25Å; F208-F671 AromaticContact CG-CD1 3.52Å; F208-F671 HydrophobicContact CG-CD1 3.52Å; F208-F671 HydrophobicContact CG-CE1 4.24Å; F208-F671 HydrophobicContact CG-CG 4.14Å; L655-F671 HydrophobicContact CD2-CE1 3.83Å; L655-F671 HydrophobicContact CD2-CZ 4.31Å; S669-F671 VanDerWaalsContact C-N 3.26Å; S669-F671 PolarHBondContact O-N 2.88Å; F671-K673 PolarHBondContact O-N 3.34Å; F671-E674 PolarHBondContact O-N 2.83Å; F671-V675 HydrophobicContact CD1-CG2 4.26Å; F671-V675 HydrophobicContact CD2-CG2 4.08Å; F671-V675 HydrophobicContact CE1-CG2 3.93Å; F671-V675 HydrophobicContact CE2-CG2 3.73Å; F671-V675 HydrophobicContact CG-CG2 4.33Å; F671-V675 HydrophobicContact CZ-CG2 3.65Å; F671-V675 WeakPolarHBondContact O-CG2 3.27Å; F671-V675 PolarHBondContact O-N 3.35Å
672	L	94.9	Very high	92.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-69.7	-33.4	-177.6	-63.6	173.7	0	0	0	112.4	F208 L216 L655 L658 Y659 S669 E674 L676	F208-L672 HydrophobicContact CD2-CG 4.44Å; F208-L672 HydrophobicContact CE1-CD2 4.37Å; F208-L672 HydrophobicContact CE2-CD1 3.66Å; F208-L672 HydrophobicContact CE2-CD2 4.23Å; F208-L672 HydrophobicContact CE2-CG 3.8Å; F208-L672 HydrophobicContact CZ-CD1 3.9Å; F208-L672 HydrophobicContact CZ-CD2 3.89Å; F208-L672 HydrophobicContact CZ-CG 3.99Å; L216-L672 HydrophobicContact CD1-CD1 3.8Å; L655-L672 HydrophobicContact CD2-CD2 4.05Å; L658-L672 HydrophobicContact CB-CD1 4.25Å; L658-L672 HydrophobicContact CB-CD2 4.33Å; Y659-L672 HydrophobicContact CD2-CB 3.95Å; S669-L672 PolarHBondContact O-N 3.33Å; S669-L672 WeakPolarHBondContact OG-CG 3.32Å; S669-L672 PolarHBondContact OG-N 3.33Å; L672-E674 VanDerWaalsContact C-N 3.35Å; L672-L676 WeakPolarHBondContact O-CG 3.27Å; L672-L676 PolarHBondContact O-N 3.33Å
673	K	91.8	Very high	92.8	Very high	90 Å²	90	52.8 Å²	52.8	39%	0.391	29%	0.287	S	S	.	.	H	α-helix	trans	-61.3	-45.3	173.5	-75.8	179.1	179.6	-178.4	0	110.8	Y659 D668 S669 P670 F671 S677	Y659-K673 HydrophobicContact CE2-CG 4.5Å; D668-K673 WeakPolarHBondContact OD1-CE 3.26Å; D668-K673 IonicContact OD1-NZ 3.31Å; D668-K673 PolarHBondContact OD1-NZ 3.21Å; D668-K673 IonicContact OD2-NZ 3.91Å; D668-K673 PolarHBondContact OD2-NZ 2.95Å; S669-K673 WeakPolarHBondContact O-CB 3.43Å; S669-K673 WeakPolarHBondContact O-CG 3.44Å; S669-K673 PolarHBondContact O-N 2.95Å; P670-K673 PolarHBondContact O-N 3.34Å; F671-K673 PolarHBondContact O-N 3.34Å; K673-S677 WeakPolarHBondContact O-CB 3.28Å; K673-S677 PolarHBondContact O-N 3.45Å
674	E	90.8	Very high	93.1	Very high	33 Å²	33	48.6 Å²	48.6	15%	0.154	27%	0.269	C	S	.	.	H	α-helix	trans	-66.3	-49.6	-179.9	-177	175.9	146.7	0	0	112.2	R200 T201 L204 P670 F671 L672 L676 S677	R200-E674 IonicContact CZ-OE1 2.63Å; R200-E674 IonicContact CZ-OE2 2.69Å; R200-E674 IonicContact NH1-OE1 3.14Å; R200-E674 IonicContact NH1-OE2 3.42Å; R200-E674 PolarHBondContact NH1-OE2 2.9Å; R200-E674 IonicContact NH2-OE1 2.78Å; R200-E674 PolarHBondContact NH2-OE1 2.89Å; R200-E674 IonicContact NH2-OE2 3.38Å; R200-E674 PolarHBondContact NH2-OE2 2.95Å; R200-E674 VanDerWaalsContact NH2-OE2 3.13Å; T201-E674 PolarHBondContact OG1-OE1 3.4Å; L204-E674 VanDerWaalsContact CD1-OE2 3.24Å; L204-E674 WeakPolarHBondContact CD1-OE2 3.36Å; P670-E674 WeakPolarHBondContact O-CB 3.18Å; P670-E674 PolarHBondContact O-N 3.28Å; F671-E674 PolarHBondContact O-N 2.83Å; L672-E674 VanDerWaalsContact C-N 3.35Å; E674-L676 PolarHBondContact O-N 3.37Å; E674-L676 VanDerWaalsContact O-N 3.13Å; E674-S677 PolarHBondContact O-N 3.29Å; E674-S677 PolarHBondContact O-OG 3.11Å
675	V	90.5	Very high	93.4	Very high	8 Å²	8	43 Å²	43	5%	0.048	25%	0.25	C	C	.	.	H	α-helix	trans	-51.6	-40	179.1	168.1	0	0	0	0	112.2	Y185 L655 F671	Y185-V675 HydrophobicContact CD1-CG2 4.38Å; Y185-V675 HydrophobicContact CD2-CG1 4.17Å; Y185-V675 HydrophobicContact CD2-CG2 4.16Å; Y185-V675 HydrophobicContact CE1-CG2 3.81Å; Y185-V675 HydrophobicContact CE2-CB 4.01Å; Y185-V675 HydrophobicContact CE2-CG1 3.77Å; Y185-V675 HydrophobicContact CE2-CG2 3.56Å; Y185-V675 WeakPolarHBondContact OH-CG2 3.49Å; L655-V675 HydrophobicContact CB-CG1 4.17Å; L655-V675 HydrophobicContact CD1-CG1 3.75Å; L655-V675 HydrophobicContact CD2-CG1 4.49Å; L655-V675 HydrophobicContact CG-CG1 4.33Å; F671-V675 HydrophobicContact CD1-CG2 4.26Å; F671-V675 HydrophobicContact CD2-CG2 4.08Å; F671-V675 HydrophobicContact CE1-CG2 3.93Å; F671-V675 HydrophobicContact CE2-CG2 3.73Å; F671-V675 HydrophobicContact CG-CG2 4.33Å; F671-V675 HydrophobicContact CZ-CG2 3.65Å; F671-V675 WeakPolarHBondContact O-CG2 3.27Å; F671-V675 PolarHBondContact O-N 3.35Å
676	L	88.5	Confident	93.6	Very high	73 Å²	73	43.8 Å²	43.8	38%	0.382	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-5.2	-175.8	-63.5	175.4	0	0	0	113.7	Y659 L672 E674	Y659-L676 VanDerWaalsContact CB-CD1 3.44Å; Y659-L676 HydrophobicContact CD1-CD1 3.5Å; Y659-L676 HydrophobicContact CD2-CD1 3.71Å; Y659-L676 HydrophobicContact CE1-CD1 4.11Å; Y659-L676 HydrophobicContact CE2-CD1 4.28Å; Y659-L676 HydrophobicContact CG-CD1 3.26Å; L672-L676 WeakPolarHBondContact O-CG 3.27Å; L672-L676 PolarHBondContact O-N 3.33Å; E674-L676 PolarHBondContact O-N 3.37Å; E674-L676 VanDerWaalsContact O-N 3.13Å
677	S	88.3	Confident	93.1	Very high	84 Å²	84	41.1 Å²	41.1	59%	0.587	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-19.5	-179.2	68.9	0	0	0	0	113.8	K673 E674	K673-S677 WeakPolarHBondContact O-CB 3.28Å; K673-S677 PolarHBondContact O-N 3.45Å; E674-S677 PolarHBondContact O-N 3.29Å; E674-S677 PolarHBondContact O-OG 3.11Å
678	V	88.6	Confident	92.3	Very high	54 Å²	54	41.2 Å²	41.2	33%	0.327	22%	0.223	S	C	.	.	S	Bend	trans	-77.1	123.2	-175.6	-175.2	0	0	0	0	110	L586	L586-V678 HydrophobicContact CB-CG1 4.12Å; L586-V678 HydrophobicContact CD2-CB 4.13Å; L586-V678 HydrophobicContact CD2-CG1 3.87Å
679	P	93.2	Very high	91.3	Very high	50 Å²	50	39 Å²	39	33%	0.325	21%	0.213	S	C	.	.			trans	-72.7	144.3	-178.2	28.6	-34.5	0	0	0	112.3	R681 A714	P679-R681 VanDerWaalsContact C-N 3.32Å; P679-R681 HydrophobicContact CG-CG 4.33Å; P679-R681 PolarHBondContact O-N 3.4Å; P679-A714 HydrophobicContact CB-CB 4.07Å
680	W	95.9	Very high	90.3	Very high	60 Å²	60	41.8 Å²	41.8	23%	0.227	23%	0.225	C	C	.	.			trans	-79.8	77.5	172.4	-61.4	103.7	0	0	0	110.5	L586 Y588 T603 R605 D652 L682 V713	L586-W680 HydrophobicContact CB-CE3 4.36Å; L586-W680 HydrophobicContact CD1-CE3 4.29Å; L586-W680 HydrophobicContact CD1-CH2 4.13Å; L586-W680 HydrophobicContact CD1-CZ3 3.71Å; L586-W680 HydrophobicContact CD2-CD2 3.76Å; L586-W680 HydrophobicContact CD2-CE3 3.52Å; L586-W680 HydrophobicContact CD2-CH2 3.78Å; L586-W680 HydrophobicContact CD2-CZ2 3.98Å; L586-W680 HydrophobicContact CD2-CZ3 3.57Å; L586-W680 HydrophobicContact CG-CD2 4.14Å; L586-W680 HydrophobicContact CG-CE3 3.39Å; L586-W680 HydrophobicContact CG-CH2 3.97Å; L586-W680 HydrophobicContact CG-CZ3 3.32Å; Y588-W680 VanDerWaalsContact CB-CE3 3.45Å; Y588-W680 HydrophobicContact CD2-CD2 4.12Å; Y588-W680 HydrophobicContact CD2-CE3 4.26Å; Y588-W680 HydrophobicContact CD2-CZ2 4.4Å; Y588-W680 HydrophobicContact CD2-CZ3 4.43Å; Y588-W680 HydrophobicContact CG-CD2 4.46Å; Y588-W680 HydrophobicContact CG-CE3 4.37Å; T603-W680 HydrophobicContact CG2-CH2 3.69Å; T603-W680 HydrophobicContact CG2-CZ2 4.34Å; T603-W680 HydrophobicContact CG2-CZ3 3.96Å; R605-W680 HydrophobicContact CG-CH2 4.1Å; R605-W680 HydrophobicContact CG-CZ3 4.19Å; D652-W680 WeakPolarHBondContact OD1-CH2 3.37Å; D652-W680 VanDerWaalsContact OD1-CZ2 3.27Å; D652-W680 WeakPolarHBondContact OD1-CZ2 3.47Å; W680-L682 PolarHBondContact O-N 3.11Å; W680-V713 HydrophobicContact CB-CG2 3.74Å; W680-V713 WeakPolarHBondContact O-CG2 3.48Å
681	R	97.2	Very high	89.6	Confident	80 Å²	80	40.4 Å²	40.4	30%	0.302	21%	0.212	S	C	.	.	S	Bend	trans	-65	-18.4	-177.2	-70.6	-176.6	174.7	101	5	114.4	C585 L586 P679 D716 G717 Y718	C585-R681 HydrophobicContact CB-CB 3.89Å; L586-R681 PolarHBondContact O-N 3.41Å; P679-R681 VanDerWaalsContact C-N 3.32Å; P679-R681 HydrophobicContact CG-CG 4.33Å; P679-R681 PolarHBondContact O-N 3.4Å; R681-D716 IonicContact CZ-OD2 2.81Å; R681-D716 VanDerWaalsContact CZ-OD2 3.23Å; R681-D716 IonicContact NE-OD1 2.68Å; R681-D716 IonicContact NE-OD2 2.78Å; R681-D716 PolarHBondContact NE-OD2 3.42Å; R681-D716 IonicContact NH2-OD2 3.16Å; R681-D716 PolarHBondContact NH2-OD2 2.89Å; R681-G717 CarbonylContact O-C 3.5Å; R681-G717 WeakPolarHBondContact O-CA 3.4Å; R681-Y718 PolarHBondContact O-N 2.94Å
682	L	98.3	Very high	88.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	103.3	170	-176.8	59.3	0	0	0	108.5	L573 Y577 T587 Y588 W680 T684 V720 F748	L573-L682 HydrophobicContact CB-CD2 4.26Å; Y577-L682 HydrophobicContact CD2-CD2 4.4Å; T587-L682 CarbonylContact C-O 3.56Å; T587-L682 VanDerWaalsContact CA-O 3.31Å; T587-L682 WeakPolarHBondContact CA-O 3.46Å; T587-L682 HydrophobicContact CG2-CB 4.08Å; T587-L682 HydrophobicContact CG2-CD2 3.79Å; T587-L682 HydrophobicContact CG2-CG 3.87Å; Y588-L682 PolarHBondContact N-O 3.32Å; W680-L682 PolarHBondContact O-N 3.11Å; L682-T684 HydrophobicContact CD1-CG2 4.04Å; L682-T684 HydrophobicContact CD2-CG2 4.43Å; L682-T684 HydrophobicContact CG-CG2 3.76Å; L682-V720 HydrophobicContact CD1-CG2 3.77Å; L682-F748 HydrophobicContact CD1-CE1 4.06Å; L682-F748 HydrophobicContact CD1-CZ 4.12Å
683	S	98.3	Very high	88	Confident	10 Å²	10	49.3 Å²	49.3	7%	0.07	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	120.3	178.6	-178.2	0	0	0	0	110.5	Y718 G719 V720	S683-Y718 PolarHBondContact N-O 3.47Å; S683-G719 CarbonylContact O-C 3.22Å; S683-G719 WeakPolarHBondContact O-CA 3.4Å; S683-V720 PolarHBondContact O-N 2.93Å
684	T	98.2	Very high	87.5	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	150.7	-169	76	0	0	0	0	112.7	Q570 L573 T587 Y588 E589 A590 L682 V720	Q570-T684 PolarHBondContact NE2-OG1 2.88Å; L573-T684 HydrophobicContact CD1-CG2 3.84Å; T587-T684 HydrophobicContact CG2-CG2 4.21Å; Y588-T684 WeakPolarHBondContact O-CA 3.37Å; Y588-T684 WeakPolarHBondContact O-CB 3.41Å; Y588-T684 PolarHBondContact O-N 2.9Å; Y588-T684 PolarHBondContact O-OG1 3.35Å; E589-T684 WeakPolarHBondContact CA-O 3.3Å; E589-T684 WeakPolarHBondContact CA-OG1 3.38Å; E589-T684 WeakPolarHBondContact CB-OG1 3.44Å; A590-T684 PolarHBondContact N-O 3.47Å; L682-T684 HydrophobicContact CD1-CG2 4.04Å; L682-T684 HydrophobicContact CD2-CG2 4.43Å; L682-T684 HydrophobicContact CG-CG2 3.76Å; T684-V720 CarbonylContact C-O 3.56Å; T684-V720 WeakPolarHBondContact CA-O 3.42Å; T684-V720 HydrophobicContact CG2-CB 4.25Å
685	S	96	Very high	87.1	Confident	18 Å²	18	47.8 Å²	47.8	13%	0.126	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	139	168.9	76.2	0	0	0	0	111.6	F710 V720 S721 Y722	S685-F710 WeakPolarHBondContact OG-CE1 3.4Å; S685-V720 PolarHBondContact N-O 3.36Å; S685-S721 WeakPolarHBondContact O-CA 3.25Å; S685-S721 PolarHBondContact O-OG 3.09Å; S685-Y722 PolarHBondContact O-N 3.48Å; S685-Y722 VanDerWaalsContact O-N 3.09Å
686	Q	93	Very high	86.7	Confident	67 Å²	67	50.8 Å²	50.8	31%	0.313	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.2	163.2	-171.4	-167.2	-4	0	0	109.5	D566 Y722	D566-Q686 PolarHBondContact OD1-OE1 2.96Å; Q686-Y722 WeakPolarHBondContact CA-O 3.42Å; Q686-Y722 HydrophobicContact CB-CD2 4.31Å; Q686-Y722 HydrophobicContact CB-CE2 3.66Å; Q686-Y722 HydrophobicContact CG-CD2 4.13Å; Q686-Y722 HydrophobicContact CG-CE2 3.72Å
687	T	83.6	Confident	86.2	Confident	14 Å²	14	48.6 Å²	48.6	9%	0.086	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-93.6	123.1	169.7	-58.3	0	0	0	0	110.2	A481 Y722 M723	A481-T687 HydrophobicContact CB-CG2 4.32Å; T687-Y722 PolarHBondContact N-O 2.98Å; T687-M723 HydrophobicContact CG2-CE 3.36Å
688	P	76.9	Confident	85.8	Confident	43 Å²	43	50.6 Å²	50.6	28%	0.279	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-67.7	145.7	178.4	27.9	-33.4	0	0	0	110.9	P478 Q691	P478-P688 HydrophobicContact CB-CG 3.94Å; P478-P688 HydrophobicContact CG-CG 3.98Å; P688-Q691 HydrophobicContact CB-CG 4.14Å; P688-Q691 HydrophobicContact CG-CG 4.17Å
689	V	70	Confident	85.4	Confident	44 Å²	44	53.3 Å²	53.3	27%	0.267	28%	0.278	S	S	.	.			trans	-108.4	152.4	178.7	-66.4	0	0	0	0	112.1	Q691 M723 F724 L725	V689-Q691 VanDerWaalsContact C-N 3.25Å; V689-Q691 PolarHBondContact O-N 3.29Å; V689-M723 HydrophobicContact CG1-CE 4.02Å; V689-M723 HydrophobicContact CG1-CG 3.18Å; V689-M723 HydrophobicContact CG1-SD 3.36Å; V689-M723 WeakPolarHBondContact CG1-SD 3.41Å; V689-F724 WeakPolarHBondContact CG1-O 3.23Å; V689-F724 WeakPolarHBondContact CG2-O 3.39Å; V689-L725 HydrophobicContact CG1-CD2 4.17Å
690	Q	72.9	Confident	84.9	Confident	65 Å²	65	56.5 Å²	56.5	30%	0.304	29%	0.285	S	S	.	.			trans	55.5	37.1	172.9	-57.8	-173.4	-49.6	0	0	113.5	E485 A692 E693 F695 L697	E485-Q690 WeakPolarHBondContact OE1-CA 3.5Å; E485-Q690 PolarHBondContact OE1-N 3.4Å; E485-Q690 WeakPolarHBondContact OE2-CA 3.13Å; Q690-A692 PolarHBondContact O-N 2.92Å; Q690-E693 PolarHBondContact O-N 2.84Å; Q690-F695 PolarHBondContact NE2-O 2.88Å; Q690-L697 HydrophobicContact CG-CD1 4.17Å
691	Q	78.5	Confident	84.2	Confident	52 Å²	52	57.2 Å²	57.2	24%	0.243	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-30.1	177.1	-65.8	-177.4	82.7	0	0	112.4	P478 E485 P688 V689	P478-Q691 PolarHBondContact O-NE2 3.37Å; P478-Q691 PolarHBondContact O-OE1 2.93Å; E485-Q691 PolarHBondContact OE1-N 2.87Å; E485-Q691 PolarHBondContact OE2-N 3.47Å; P688-Q691 HydrophobicContact CB-CG 4.14Å; P688-Q691 HydrophobicContact CG-CG 4.17Å; V689-Q691 VanDerWaalsContact C-N 3.25Å; V689-Q691 PolarHBondContact O-N 3.29Å
692	A	76.1	Confident	83.6	Confident	22 Å²	22	56.9 Å²	56.9	18%	0.182	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-12	177.6	0	0	0	0	0	114	E485 Q690 L694	E485-A692 HydrophobicContact CB-CB 4.37Å; E485-A692 PolarHBondContact OE2-N 3.27Å; Q690-A692 PolarHBondContact O-N 2.92Å; A692-L694 VanDerWaalsContact C-N 3.27Å; A692-L694 HydrophobicContact CB-CB 4.5Å; A692-L694 HydrophobicContact CB-CD1 3.68Å; A692-L694 HydrophobicContact CB-CG 3.76Å; A692-L694 WeakPolarHBondContact O-CG 3.18Å; A692-L694 PolarHBondContact O-N 3.35Å
693	E	80.8	Confident	83	Confident	169 Å²	169	59.4 Å²	59.4	79%	0.79	31%	0.309	S	S	*	.			trans	54.6	36.8	-175.3	-58.3	176.1	171.2	0	0	113.6	Q690	Q690-E693 PolarHBondContact O-N 2.84Å
694	L	83.1	Confident	82.3	Confident	65 Å²	65	59.4 Å²	59.4	34%	0.34	31%	0.308	S	S	.	.			trans	-102.2	-8.4	-174.6	-63.4	174.7	0	0	0	114.8	Y486 A489 A692	Y486-L694 HydrophobicContact CD2-CD1 3.75Å; Y486-L694 HydrophobicContact CG-CD1 4.34Å; A489-L694 HydrophobicContact CB-CB 3.69Å; A489-L694 HydrophobicContact CB-CD1 4.07Å; A692-L694 VanDerWaalsContact C-N 3.27Å; A692-L694 HydrophobicContact CB-CB 4.5Å; A692-L694 HydrophobicContact CB-CD1 3.68Å; A692-L694 HydrophobicContact CB-CG 3.76Å; A692-L694 WeakPolarHBondContact O-CG 3.18Å; A692-L694 PolarHBondContact O-N 3.35Å
695	F	82.3	Confident	81.6	Confident	26 Å²	26	60.6 Å²	60.6	11%	0.114	32%	0.316	C	S	.	.			trans	-108.9	127.3	-175.8	-68.6	-82.3	0	0	0	111.1	F258 E485 L488 A489 F493 Q690 L697	F258-F695 HydrophobicContact CE1-CD1 4.46Å; F258-F695 AromaticContact CE1-CE1 3.56Å; F258-F695 HydrophobicContact CE1-CE1 3.56Å; F258-F695 HydrophobicContact CE1-CZ 4.01Å; F258-F695 AromaticContact CZ-CE1 3.68Å; F258-F695 HydrophobicContact CZ-CE1 3.68Å; F258-F695 HydrophobicContact CZ-CZ 4.12Å; E485-F695 HydrophobicContact CB-CE2 4Å; E485-F695 HydrophobicContact CG-CE2 4.29Å; E485-F695 WeakPolarHBondContact O-CE2 3.41Å; E485-F695 WeakPolarHBondContact O-CZ 3.09Å; L488-F695 HydrophobicContact CB-CZ 3.89Å; A489-F695 HydrophobicContact CB-CE1 4.01Å; A489-F695 HydrophobicContact CB-CE2 3.97Å; A489-F695 HydrophobicContact CB-CZ 3.64Å; F493-F695 AromaticContact CE2-CD1 3.6Å; F493-F695 HydrophobicContact CE2-CD1 3.6Å; F493-F695 AromaticContact CE2-CE1 3.65Å; F493-F695 HydrophobicContact CE2-CE1 3.65Å; F493-F695 HydrophobicContact CZ-CD1 4.26Å; F493-F695 HydrophobicContact CZ-CE1 4.45Å; Q690-F695 PolarHBondContact NE2-O 2.88Å; F695-L697 HydrophobicContact CB-CD2 4.1Å; F695-L697 HydrophobicContact CB-CG 4.14Å; F695-L697 PolarHBondContact O-N 3.3Å
696	D	80.3	Confident	81	Confident	71 Å²	71	59.8 Å²	59.8	38%	0.38	31%	0.311	S	S	.	.			trans	-93.8	84.7	166.5	-175.3	-8.8	0	0	0	109.6	V698 N699 Y700	D696-V698 PolarHBondContact O-N 3.19Å; D696-V698 WeakPolarHBondContact OD1-CB 3.25Å; D696-V698 PolarHBondContact OD1-N 2.9Å; D696-V698 VanDerWaalsContact OD1-N 3.14Å; D696-N699 PolarHBondContact O-N 2.66Å; D696-N699 PolarHBondContact OD1-N 3.18Å; D696-N699 VanDerWaalsContact OD1-N 3.11Å; D696-N699 PolarHBondContact OD2-ND2 2.94Å; D696-Y700 HydrophobicContact CB-CD2 4.25Å; D696-Y700 WeakPolarHBondContact O-CB 3.4Å; D696-Y700 PolarHBondContact O-N 3.45Å
697	L	79.2	Confident	80.8	Confident	27 Å²	27	57 Å²	57	14%	0.141	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-5.5	-179.6	-63.1	-179.3	0	0	0	113.5	Q690 F695 I704	Q690-L697 HydrophobicContact CG-CD1 4.17Å; F695-L697 HydrophobicContact CB-CD2 4.1Å; F695-L697 HydrophobicContact CB-CG 4.14Å; F695-L697 PolarHBondContact O-N 3.3Å; L697-I704 HydrophobicContact CD1-CG2 4.15Å; L697-I704 HydrophobicContact CD2-CG2 3.54Å; L697-I704 HydrophobicContact CG-CG2 4.4Å
698	V	78.8	Confident	81.3	Confident	126 Å²	126	56.8 Å²	56.8	76%	0.764	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-48.6	174.2	178.3	0	0	0	0	109	D696	D696-V698 PolarHBondContact O-N 3.19Å; D696-V698 WeakPolarHBondContact OD1-CB 3.25Å; D696-V698 PolarHBondContact OD1-N 2.9Å; D696-V698 VanDerWaalsContact OD1-N 3.14Å
699	N	81	Confident	82.2	Confident	111 Å²	111	54.8 Å²	54.8	59%	0.594	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-23.6	-178.4	-65.6	-48.8	0	0	0	113.3	D696 P701	D696-N699 PolarHBondContact O-N 2.66Å; D696-N699 PolarHBondContact OD1-N 3.18Å; D696-N699 VanDerWaalsContact OD1-N 3.11Å; D696-N699 PolarHBondContact OD2-ND2 2.94Å; N699-P701 VanDerWaalsContact C-CD 3.49Å
700	Y	82.3	Confident	83.5	Confident	117 Å²	117	54.5 Å²	54.5	46%	0.459	28%	0.283	S	S	.	.			trans	-130.1	63.9	-178.7	-56.9	-78.9	0	0	0	111.9	D696 E702 Y703	D696-Y700 HydrophobicContact CB-CD2 4.25Å; D696-Y700 WeakPolarHBondContact O-CB 3.4Å; D696-Y700 PolarHBondContact O-N 3.45Å; Y700-E702 VanDerWaalsContact C-OE2 3.25Å; Y700-E702 PolarHBondContact O-N 3.45Å; Y700-E702 VanDerWaalsContact O-N 3.17Å; Y700-Y703 HydrophobicContact CD1-CE2 4.45Å; Y700-Y703 PolarHBondContact O-N 2.89Å
701	P	82.6	Confident	84.7	Confident	74 Å²	74	51.6 Å²	51.6	48%	0.481	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.2	-174.7	28.5	-37.3	0	0	0	114.6	N699 I704	N699-P701 VanDerWaalsContact C-CD 3.49Å; P701-I704 WeakPolarHBondContact O-CG2 3.43Å
702	E	83.5	Confident	85.5	Confident	73 Å²	73	49.2 Å²	49.2	34%	0.341	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-23.6	178.7	68.1	-79	-172.7	0	0	113.3	V261 Y700 I704	V261-E702 HydrophobicContact CG2-CB 3.84Å; V261-E702 HydrophobicContact CG2-CG 3.51Å; V261-E702 WeakPolarHBondContact CG2-O 3.41Å; Y700-E702 VanDerWaalsContact C-OE2 3.25Å; Y700-E702 PolarHBondContact O-N 3.45Å; Y700-E702 VanDerWaalsContact O-N 3.17Å; E702-I704 PolarHBondContact O-N 2.84Å
703	Y	85.4	Confident	86.3	Confident	53 Å²	53	52 Å²	52	21%	0.208	27%	0.274	C	S	.	.			trans	-84.7	47.7	-179.8	-69.7	-95.6	0	0	0	112.4	F258 V261 F493 Y700	F258-Y703 VanDerWaalsContact CD1-C 3.47Å; F258-Y703 HydrophobicContact CD2-CD1 4.38Å; F258-Y703 HydrophobicContact CE1-CD1 4.21Å; F258-Y703 WeakPolarHBondContact CE1-O 3.37Å; F258-Y703 AromaticContact CE2-CD1 3.98Å; F258-Y703 HydrophobicContact CE2-CD1 3.98Å; F258-Y703 AromaticContact CZ-CD1 3.87Å; F258-Y703 HydrophobicContact CZ-CD1 3.87Å; V261-Y703 HydrophobicContact CB-CD1 4.38Å; V261-Y703 HydrophobicContact CB-CE1 4.33Å; V261-Y703 HydrophobicContact CG1-CD1 4.19Å; V261-Y703 HydrophobicContact CG1-CE1 3.68Å; V261-Y703 HydrophobicContact CG2-CD1 4.24Å; V261-Y703 HydrophobicContact CG2-CD2 4.24Å; V261-Y703 HydrophobicContact CG2-CE1 4.27Å; V261-Y703 HydrophobicContact CG2-CE2 4.28Å; V261-Y703 HydrophobicContact CG2-CG 4.24Å; F493-Y703 HydrophobicContact CE1-CD1 4.05Å; F493-Y703 HydrophobicContact CE1-CD2 4.2Å; F493-Y703 HydrophobicContact CE1-CE1 4.06Å; F493-Y703 HydrophobicContact CE1-CE2 4.2Å; F493-Y703 HydrophobicContact CE1-CG 4.11Å; F493-Y703 AromaticContact CZ-CD1 3.66Å; F493-Y703 HydrophobicContact CZ-CD1 3.66Å; F493-Y703 HydrophobicContact CZ-CD2 4.07Å; F493-Y703 HydrophobicContact CZ-CE1 4.14Å; F493-Y703 AromaticContact CZ-CG 3.61Å; F493-Y703 HydrophobicContact CZ-CG 3.61Å; Y700-Y703 HydrophobicContact CD1-CE2 4.45Å; Y700-Y703 PolarHBondContact O-N 2.89Å
704	I	83.4	Confident	87	Confident	10 Å²	10	44.3 Å²	44.3	5%	0.051	24%	0.24	C	C	.	.			trans	-100	130.9	174.3	59.7	176.7	0	0	0	110.9	F258 Q259 Y260 L697 P701 E702 L725 M729	F258-I704 CarbonylContact C-O 3.18Å; F258-I704 VanDerWaalsContact CA-O 3.31Å; F258-I704 WeakPolarHBondContact CA-O 3.03Å; Q259-I704 HydrophobicContact CB-CG1 4.45Å; Q259-I704 PolarHBondContact N-O 3.14Å; Y260-I704 HydrophobicContact CD2-CD1 4.38Å; Y260-I704 HydrophobicContact CD2-CG1 4.16Å; Y260-I704 HydrophobicContact CE2-CD1 3.64Å; Y260-I704 HydrophobicContact CE2-CG1 3.88Å; L697-I704 HydrophobicContact CD1-CG2 4.15Å; L697-I704 HydrophobicContact CD2-CG2 3.54Å; L697-I704 HydrophobicContact CG-CG2 4.4Å; P701-I704 WeakPolarHBondContact O-CG2 3.43Å; E702-I704 PolarHBondContact O-N 2.84Å; I704-L725 HydrophobicContact CB-CD1 4.45Å; I704-L725 HydrophobicContact CD1-CD1 4Å; I704-M729 HydrophobicContact CD1-CE 4.03Å; I704-M729 HydrophobicContact CD1-SD 3.72Å
705	S	84.9	Confident	87.6	Confident	26 Å²	26	46.1 Å²	46.1	18%	0.182	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-78.3	145.8	168.9	168.5	0	0	0	0	109.9	M256 D257 G707 L725	M256-S705 PolarHBondContact O-OG 3.4Å; D257-S705 WeakPolarHBondContact O-CA 3.25Å; S705-G707 PolarHBondContact O-N 2.94Å; S705-G707 PolarHBondContact OG-N 3.4Å; S705-L725 WeakPolarHBondContact O-CD1 3.31Å; S705-L725 WeakPolarHBondContact O-CD2 3.2Å
706	C	81.8	Confident	88.2	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.007	26%	0.255	C	S	.	.			trans	-68.4	-14	176.1	-75.5	0	0	0	0	114	M256 D257 Q259 N731 H733	M256-C706 HydrophobicContact CB-CB 3.92Å; M256-C706 HydrophobicContact CG-CB 4.38Å; M256-C706 HydrophobicContact SD-CB 3.66Å; D257-C706 PolarHBondContact O-N 2.88Å; Q259-C706 WeakPolarHBondContact CB-SG 3.46Å; Q259-C706 WeakPolarHBondContact CG-SG 2.99Å; C706-N731 VanDerWaalsContact CA-ND2 3.32Å; C706-N731 WeakPolarHBondContact CA-ND2 3.34Å; C706-N731 PolarHBondContact O-ND2 3.19Å; C706-H733 PolarHBondContact O-NE2 3.35Å; C706-H733 VanDerWaalsContact O-NE2 3.11Å
707	G	89.4	Confident	89	Confident	7 Å²	7	43.5 Å²	43.5	7%	0.072	24%	0.237	C	C	.	.			trans	89.7	-142.9	-169.7	0	0	0	0	0	111.3	G255 M256 S705 M723	G255-G707 CarbonylContact C-O 3.53Å; G255-G707 WeakPolarHBondContact CA-O 3.4Å; M256-G707 PolarHBondContact N-O 2.93Å; S705-G707 PolarHBondContact O-N 2.94Å; S705-G707 PolarHBondContact OG-N 3.4Å; G707-M723 VanDerWaalsContact CA-CE 3.48Å
708	G	93.8	Very high	90	Very high	10 Å²	10	42.3 Å²	42.3	10%	0.103	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	170.4	-171.7	0	0	0	0	0	112.2	Y254 S721 H733	Y254-G708 CarbonylContact O-C 3.54Å; Y254-G708 WeakPolarHBondContact O-CA 3.49Å; G708-S721 WeakPolarHBondContact O-CB 3.31Å; G708-S721 PolarHBondContact O-OG 3.27Å; G708-S721 VanDerWaalsContact O-OG 3.08Å; G708-H733 PolarHBondContact O-CD2 3.39Å
709	G	96.1	Very high	90.9	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	-178.7	-176.7	0	0	0	0	0	112.9	Y253 Y254	Y253-G709 WeakPolarHBondContact CA-O 3.43Å; Y253-G709 WeakPolarHBondContact CB-O 3.3Å; Y254-G709 WeakPolarHBondContact CD1-O 3.2Å; Y254-G709 VanDerWaalsContact CE1-C 3.43Å; Y254-G709 WeakPolarHBondContact CE1-O 3.48Å; Y254-G709 PolarHBondContact N-O 3.09Å; Y254-G709 PolarHBondContact O-N 3.49Å; Y254-G709 VanDerWaalsContact O-N 3.09Å
710	F	97.9	Very high	91.7	Very high	38 Å²	38	31 Å²	31	17%	0.167	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	164	-178.7	49.3	-89	0	0	0	109.6	S685 S735	S685-F710 WeakPolarHBondContact OG-CE1 3.4Å; F710-S735 WeakPolarHBondContact O-CB 3.32Å; F710-S735 PolarHBondContact O-OG 3.49Å
711	G	97	Very high	92.5	Very high	4 Å²	4	25.6 Å²	25.6	4%	0.041	15%	0.145	C	C	.	.			trans	-73	165.2	174	0	0	0	0	0	113.1	S735	G711-S735 VanDerWaalsContact C-OG 3.32Å; G711-S735 WeakPolarHBondContact CA-OG 3.47Å
712	P	96.1	Very high	93.1	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.013	12%	0.123	C	C	.	.			trans	-66.6	146.5	176.7	31.7	-37.4	0	0	0	111	S735 K737	P712-S735 WeakPolarHBondContact CD-OG 3.32Å; P712-K737 HydrophobicContact CG-CG 3.88Å
713	V	93.3	Very high	93.6	Very high	79 Å²	79	19.3 Å²	19.3	48%	0.479	11%	0.11	S	C	.	.	S	Bend	trans	-91.7	-10.1	179.3	-55.9	0	0	0	0	113.4	W680	W680-V713 HydrophobicContact CB-CG2 3.74Å; W680-V713 WeakPolarHBondContact O-CG2 3.48Å
714	A	94.8	Very high	93.8	Very high	9 Å²	9	17.2 Å²	17.2	7%	0.074	10%	0.102	C	C	.	.	S	Bend	trans	-131	140.3	175.6	0	0	0	0	0	108.4	P679 D716 G717	P679-A714 HydrophobicContact CB-CB 4.07Å; A714-D716 PolarHBondContact O-N 2.69Å; A714-G717 PolarHBondContact O-N 3.36Å; A714-G717 VanDerWaalsContact O-N 3.16Å
715	D	95.2	Very high	93.9	Very high	103 Å²	103	17 Å²	17	55%	0.551	10%	0.101	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-29.1	-177.3	-65.3	-19.7	0	0	0	112.3	K737 C740	D715-K737 HydrophobicContact CB-CD 4.26Å; D715-K737 VanDerWaalsContact OD1-CE 3.28Å; D715-K737 WeakPolarHBondContact OD1-CE 3.26Å; D715-K737 IonicContact OD1-NZ 2.7Å; D715-K737 PolarHBondContact OD1-NZ 3.45Å; D715-C740 WeakPolarHBondContact O-CB 3.39Å
716	D	96.6	Very high	93.8	Very high	42 Å²	42	17.3 Å²	17.3	23%	0.225	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	21.8	179	68.5	-19.2	0	0	0	113.6	R581 R681 A714	R581-D716 PolarHBondContact NH1-O 3.02Å; R681-D716 IonicContact CZ-OD2 2.81Å; R681-D716 VanDerWaalsContact CZ-OD2 3.23Å; R681-D716 IonicContact NE-OD1 2.68Å; R681-D716 IonicContact NE-OD2 2.78Å; R681-D716 PolarHBondContact NE-OD2 3.42Å; R681-D716 IonicContact NH2-OD2 3.16Å; R681-D716 PolarHBondContact NH2-OD2 2.89Å; A714-D716 PolarHBondContact O-N 2.69Å
717	G	97.1	Very high	94	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-133.3	-173.9	-172.4	0	0	0	0	0	115.8	R681 A714	R681-G717 CarbonylContact O-C 3.5Å; R681-G717 WeakPolarHBondContact O-CA 3.4Å; A714-G717 PolarHBondContact O-N 3.36Å; A714-G717 VanDerWaalsContact O-N 3.16Å
718	Y	98.6	Very high	94	Very high	1 Å²	1	26 Å²	26	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	142.1	-178	-63.2	-80.3	0	0	0	111.8	Y577 D580 R681 S683 I734 S735 C736 T743 D744 F748	Y577-Y718 HydrophobicContact CD2-CD2 4.15Å; Y577-Y718 HydrophobicContact CD2-CE2 4.34Å; Y577-Y718 HydrophobicContact CE2-CD2 4.01Å; Y577-Y718 HydrophobicContact CE2-CE2 4.2Å; D580-Y718 PolarHBondContact OD2-OH 3.23Å; R681-Y718 PolarHBondContact O-N 2.94Å; S683-Y718 PolarHBondContact N-O 3.47Å; Y718-I734 HydrophobicContact CD1-CG2 4.23Å; Y718-S735 CarbonylContact C-O 3.57Å; Y718-S735 VanDerWaalsContact CA-O 3.28Å; Y718-S735 WeakPolarHBondContact CA-O 3.31Å; Y718-C736 HydrophobicContact CD1-CB 3.65Å; Y718-C736 HydrophobicContact CE1-CB 3.86Å; Y718-T743 HydrophobicContact CD2-CG2 4.36Å; Y718-T743 HydrophobicContact CE1-CG2 4.13Å; Y718-T743 HydrophobicContact CE2-CG2 3.88Å; Y718-T743 WeakPolarHBondContact OH-CA 3.41Å; Y718-D744 PolarHBondContact OH-N 3.03Å; Y718-D744 VanDerWaalsContact OH-N 3.17Å; Y718-F748 HydrophobicContact CD1-CB 4.28Å; Y718-F748 AromaticContact CD1-CD1 3.7Å; Y718-F748 HydrophobicContact CD1-CD1 3.7Å; Y718-F748 HydrophobicContact CD1-CE1 4.32Å; Y718-F748 HydrophobicContact CD1-CG 4.14Å; Y718-F748 HydrophobicContact CD2-CD1 4.12Å; Y718-F748 HydrophobicContact CD2-CE1 4.11Å; Y718-F748 HydrophobicContact CD2-CG 4.38Å; Y718-F748 HydrophobicContact CD2-CZ 4.41Å; Y718-F748 HydrophobicContact CE1-CB 3.65Å; Y718-F748 AromaticContact CE1-CD1 3.93Å; Y718-F748 HydrophobicContact CE1-CD1 3.93Å; Y718-F748 AromaticContact CE1-CG 3.87Å; Y718-F748 HydrophobicContact CE1-CG 3.87Å; Y718-F748 HydrophobicContact CE2-CD1 4.29Å; Y718-F748 HydrophobicContact CE2-CD2 4.19Å; Y718-F748 HydrophobicContact CE2-CG 4.09Å; Y718-F748 AromaticContact CG-CD1 3.81Å; Y718-F748 HydrophobicContact CG-CD1 3.81Å; Y718-F748 AromaticContact CG-CE1 3.96Å; Y718-F748 HydrophobicContact CG-CE1 3.96Å; Y718-F748 HydrophobicContact CG-CG 4.39Å; Y718-F748 AromaticContact CZ-CG 3.82Å
719	G	98.3	Very high	93.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128	159.5	0	0	0	0	0	109.9	S683 I734 S735	S683-G719 CarbonylContact O-C 3.22Å; S683-G719 WeakPolarHBondContact O-CA 3.4Å; G719-I734 CarbonylContact O-C 3.46Å; G719-I734 VanDerWaalsContact O-CA 3.31Å; G719-I734 WeakPolarHBondContact O-CA 3.43Å; G719-S735 PolarHBondContact N-O 3.47Å; G719-S735 PolarHBondContact O-N 3.07Å
720	V	98.4	Very high	93.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	111.2	179.5	-172.7	0	0	0	0	110.9	L573 L682 S683 T684 S685 F732 H733 I734 F748	L573-V720 HydrophobicContact CD1-CG1 4.32Å; L573-V720 HydrophobicContact CD2-CG1 4.06Å; L682-V720 HydrophobicContact CD1-CG2 3.77Å; S683-V720 PolarHBondContact O-N 2.93Å; T684-V720 CarbonylContact C-O 3.56Å; T684-V720 WeakPolarHBondContact CA-O 3.42Å; T684-V720 HydrophobicContact CG2-CB 4.25Å; S685-V720 PolarHBondContact N-O 3.36Å; V720-F732 HydrophobicContact CG1-CD1 4.17Å; V720-H733 CarbonylContact C-O 3.46Å; V720-H733 WeakPolarHBondContact CA-O 3.45Å; V720-I734 HydrophobicContact CG1-CG1 4.42Å; V720-F748 HydrophobicContact CG2-CD1 4.49Å; V720-F748 HydrophobicContact CG2-CE1 3.8Å
721	S	97.5	Very high	93.5	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.021	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	142.5	164.8	-168.3	0	0	0	0	110.4	S685 G708 F732 H733	S685-S721 WeakPolarHBondContact O-CA 3.25Å; S685-S721 PolarHBondContact O-OG 3.09Å; G708-S721 WeakPolarHBondContact O-CB 3.31Å; G708-S721 PolarHBondContact O-OG 3.27Å; G708-S721 VanDerWaalsContact O-OG 3.08Å; S721-F732 CarbonylContact O-C 3.58Å; S721-F732 WeakPolarHBondContact O-CA 3.5Å; S721-H733 PolarHBondContact N-O 3.24Å; S721-H733 PolarHBondContact O-N 3.09Å
722	Y	96.5	Very high	93.5	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	154.4	171.6	60	-87.8	0	0	0	112.8	D566 V569 Q570 L573 E589 S685 Q686 T687 F724 N731 F732	D566-Y722 WeakPolarHBondContact OD1-CE2 3.39Å; D566-Y722 PolarHBondContact OD1-OH 3.4Å; V569-Y722 HydrophobicContact CB-CD2 4.38Å; V569-Y722 HydrophobicContact CB-CE2 4.13Å; V569-Y722 HydrophobicContact CG1-CD1 3.86Å; V569-Y722 HydrophobicContact CG1-CD2 3.85Å; V569-Y722 HydrophobicContact CG1-CE1 3.87Å; V569-Y722 HydrophobicContact CG1-CE2 3.87Å; V569-Y722 HydrophobicContact CG1-CG 3.85Å; Q570-Y722 PolarHBondContact NE2-OH 3.47Å; L573-Y722 HydrophobicContact CD1-CD1 4.49Å; L573-Y722 HydrophobicContact CD1-CE1 4.22Å; E589-Y722 PolarHBondContact OE1-OH 2.88Å; E589-Y722 VanDerWaalsContact OE1-OH 3.07Å; S685-Y722 PolarHBondContact O-N 3.48Å; S685-Y722 VanDerWaalsContact O-N 3.09Å; Q686-Y722 WeakPolarHBondContact CA-O 3.42Å; Q686-Y722 HydrophobicContact CB-CD2 4.31Å; Q686-Y722 HydrophobicContact CB-CE2 3.66Å; Q686-Y722 HydrophobicContact CG-CD2 4.13Å; Q686-Y722 HydrophobicContact CG-CE2 3.72Å; T687-Y722 PolarHBondContact N-O 2.98Å; Y722-F724 HydrophobicContact CD2-CE2 4.31Å; Y722-F724 HydrophobicContact CE2-CE2 4.19Å; Y722-N731 CarbonylContact C-O 3.49Å; Y722-N731 WeakPolarHBondContact CA-O 3.17Å; Y722-N731 WeakPolarHBondContact CB-O 3.44Å; Y722-F732 HydrophobicContact CG-CE1 4.24Å
723	M	92.9	Very high	93.6	Very high	14 Å²	14	24.6 Å²	24.6	7%	0.069	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	130.8	-176.6	-176	179.1	-81.9	0	0	110.2	T687 V689 G707 L725 I730 N731	T687-M723 HydrophobicContact CG2-CE 3.36Å; V689-M723 HydrophobicContact CG1-CE 4.02Å; V689-M723 HydrophobicContact CG1-CG 3.18Å; V689-M723 HydrophobicContact CG1-SD 3.36Å; V689-M723 WeakPolarHBondContact CG1-SD 3.41Å; G707-M723 VanDerWaalsContact CA-CE 3.48Å; M723-L725 HydrophobicContact CG-CD2 3.97Å; M723-L725 HydrophobicContact CG-CG 4.4Å; M723-L725 PolarHBondContact O-N 3.29Å; M723-L725 HydrophobicContact SD-CD2 3.65Å; M723-I730 WeakPolarHBondContact O-CA 3.31Å; M723-N731 PolarHBondContact N-O 3.05Å; M723-N731 PolarHBondContact O-N 3.41Å
724	F	90.8	Very high	93.8	Very high	9 Å²	9	20.8 Å²	20.8	4%	0.039	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	112.9	172.4	-65.2	-77.3	0	0	0	110.2	K555 I558 P565 V569 V689 Y722 I730	K555-F724 HydrophobicContact CB-CB 4.39Å; K555-F724 HydrophobicContact CB-CD1 3.77Å; K555-F724 HydrophobicContact CB-CE1 4.31Å; K555-F724 HydrophobicContact CB-CG 4.12Å; K555-F724 HydrophobicContact CD-CB 4.06Å; I558-F724 HydrophobicContact CD1-CE1 4.14Å; P565-F724 VanDerWaalsContact C-CZ 3.47Å; P565-F724 HydrophobicContact CB-CD1 4.39Å; P565-F724 HydrophobicContact CB-CD2 4.47Å; P565-F724 HydrophobicContact CB-CE1 3.75Å; P565-F724 HydrophobicContact CB-CE2 3.84Å; P565-F724 HydrophobicContact CB-CZ 3.45Å; P565-F724 VanDerWaalsContact CB-CZ 3.45Å; P565-F724 WeakPolarHBondContact O-CZ 3.27Å; V569-F724 HydrophobicContact CG2-CE1 3.99Å; V569-F724 HydrophobicContact CG2-CZ 3.61Å; V689-F724 WeakPolarHBondContact CG1-O 3.23Å; V689-F724 WeakPolarHBondContact CG2-O 3.39Å; Y722-F724 HydrophobicContact CD2-CE2 4.31Å; Y722-F724 HydrophobicContact CE2-CE2 4.19Å; F724-I730 HydrophobicContact CD1-CD1 4.2Å; F724-I730 HydrophobicContact CD1-CG1 3.84Å; F724-I730 HydrophobicContact CD1-CG2 4.37Å; F724-I730 HydrophobicContact CE1-CD1 3.76Å; F724-I730 HydrophobicContact CE1-CG1 3.93Å; F724-I730 HydrophobicContact CE1-CG2 4.35Å
725	L	84.6	Confident	94	Very high	6 Å²	6	20.4 Å²	20.4	3%	0.031	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.6	177.7	-63.2	177.2	0	0	0	109.4	V689 I704 S705 M723 M729 N731	V689-L725 HydrophobicContact CG1-CD2 4.17Å; I704-L725 HydrophobicContact CB-CD1 4.45Å; I704-L725 HydrophobicContact CD1-CD1 4Å; S705-L725 WeakPolarHBondContact O-CD1 3.31Å; S705-L725 WeakPolarHBondContact O-CD2 3.2Å; M723-L725 HydrophobicContact CG-CD2 3.97Å; M723-L725 HydrophobicContact CG-CG 4.4Å; M723-L725 PolarHBondContact O-N 3.29Å; M723-L725 HydrophobicContact SD-CD2 3.65Å; L725-M729 HydrophobicContact CB-CB 4.07Å; L725-M729 HydrophobicContact CB-CG 4.3Å; L725-M729 HydrophobicContact CB-SD 4.42Å; L725-M729 HydrophobicContact CD1-SD 4.09Å; L725-M729 PolarHBondContact N-O 3.47Å; L725-M729 PolarHBondContact O-N 2.83Å; L725-M729 VanDerWaalsContact O-O 3.11Å; L725-N731 HydrophobicContact CD1-CB 4.17Å; L725-N731 VanDerWaalsContact CD1-CG 3.45Å; L725-N731 WeakPolarHBondContact CD1-ND2 3.3Å
726	A	82.6	Confident	94.1	Very high	31 Å²	31	15.5 Å²	15.5	26%	0.256	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	-141.6	-172.6	0	0	0	0	0	112.1	K555	K555-A726 WeakPolarHBondContact CD-O 3.44Å; K555-A726 WeakPolarHBondContact CE-O 3.37Å; K555-A726 PolarHBondContact NZ-O 2.99Å
727	E	86.4	Confident	94.2	Very high	96 Å²	96	14.3 Å²	14.3	45%	0.449	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-14.2	179.5	-70.1	-64	145.8	0	0	113.5	G554 K555 G556 K559	G554-E727 CarbonylContact C-O 3.37Å; G554-E727 WeakPolarHBondContact CA-O 3.13Å; K555-E727 VanDerWaalsContact CE-CD 3.41Å; K555-E727 WeakPolarHBondContact CE-OE1 3.4Å; K555-E727 WeakPolarHBondContact CG-OE2 3.35Å; K555-E727 PolarHBondContact N-O 3Å; K555-E727 IonicContact NZ-OE1 3.08Å; G556-E727 WeakPolarHBondContact CA-O 3.34Å; G556-E727 WeakPolarHBondContact CA-OE2 3.42Å; G556-E727 PolarHBondContact N-O 3.46Å; G556-E727 PolarHBondContact N-OE2 2.91Å; K559-E727 IonicContact NZ-OE1 3.62Å
728	N	89.1	Confident	94.2	Very high	96 Å²	96	19.2 Å²	19.2	51%	0.513	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	4.8	-166	64.6	-30.4	0	0	0	115	F553	F553-N728 CarbonylContact C-O 3.58Å
729	M	90	Very high	94.1	Very high	18 Å²	18	23 Å²	23	9%	0.089	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	146.5	-177.7	-172	179.2	-55.2	0	0	112.6	F550 R551 I704 L725	F550-M729 WeakPolarHBondContact O-CA 3.46Å; F550-M729 WeakPolarHBondContact O-CG 3.4Å; R551-M729 HydrophobicContact CG-CE 3.8Å; R551-M729 HydrophobicContact CG-CG 4.29Å; R551-M729 HydrophobicContact CG-SD 4.36Å; I704-M729 HydrophobicContact CD1-CE 4.03Å; I704-M729 HydrophobicContact CD1-SD 3.72Å; L725-M729 HydrophobicContact CB-CB 4.07Å; L725-M729 HydrophobicContact CB-CG 4.3Å; L725-M729 HydrophobicContact CB-SD 4.42Å; L725-M729 HydrophobicContact CD1-SD 4.09Å; L725-M729 PolarHBondContact N-O 3.47Å; L725-M729 PolarHBondContact O-N 2.83Å; L725-M729 VanDerWaalsContact O-O 3.11Å
730	I	94.3	Very high	94	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125.8	171.6	-43.4	176.4	0	0	0	107.7	F550 I558 V569 M723 F724 F732	F550-I730 WeakPolarHBondContact CA-O 3.36Å; F550-I730 HydrophobicContact CB-CB 4.35Å; F550-I730 WeakPolarHBondContact CB-O 3.21Å; F550-I730 HydrophobicContact CD1-CD1 4.29Å; F550-I730 HydrophobicContact CD1-CG1 4.41Å; F550-I730 PolarHBondContact N-O 3.19Å; F550-I730 PolarHBondContact O-N 3.34Å; I558-I730 HydrophobicContact CD1-CD1 4.21Å; V569-I730 HydrophobicContact CG2-CD1 4.27Å; M723-I730 WeakPolarHBondContact O-CA 3.31Å; F724-I730 HydrophobicContact CD1-CD1 4.2Å; F724-I730 HydrophobicContact CD1-CG1 3.84Å; F724-I730 HydrophobicContact CD1-CG2 4.37Å; F724-I730 HydrophobicContact CE1-CD1 3.76Å; F724-I730 HydrophobicContact CE1-CG1 3.93Å; F724-I730 HydrophobicContact CE1-CG2 4.35Å; I730-F732 HydrophobicContact CB-CE2 3.88Å; I730-F732 HydrophobicContact CG2-CD2 4.1Å; I730-F732 HydrophobicContact CG2-CE2 3.42Å; I730-F732 VanDerWaalsContact CG2-CE2 3.42Å; I730-F732 HydrophobicContact CG2-CZ 3.7Å
731	N	93.7	Very high	93.9	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.011	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	140.7	171.4	-82	2.1	0	0	0	110.4	S549 C706 Y722 M723 L725	S549-N731 VanDerWaalsContact CA-OD1 3.25Å; S549-N731 WeakPolarHBondContact CA-OD1 3.46Å; S549-N731 WeakPolarHBondContact CB-OD1 3.47Å; S549-N731 PolarHBondContact OG-OD1 3Å; C706-N731 VanDerWaalsContact CA-ND2 3.32Å; C706-N731 WeakPolarHBondContact CA-ND2 3.34Å; C706-N731 PolarHBondContact O-ND2 3.19Å; Y722-N731 CarbonylContact C-O 3.49Å; Y722-N731 WeakPolarHBondContact CA-O 3.17Å; Y722-N731 WeakPolarHBondContact CB-O 3.44Å; M723-N731 PolarHBondContact N-O 3.05Å; M723-N731 PolarHBondContact O-N 3.41Å; L725-N731 HydrophobicContact CD1-CB 4.17Å; L725-N731 VanDerWaalsContact CD1-CG 3.45Å; L725-N731 WeakPolarHBondContact CD1-ND2 3.3Å
732	F	96.9	Very high	93.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.1	176.8	-71.8	-88.4	0	0	0	110.2	V547 F548 F550 V569 V720 S721 Y722 I730 I752 L756	V547-F732 WeakPolarHBondContact CA-O 3.2Å; F548-F732 HydrophobicContact CD1-CB 4.17Å; F548-F732 HydrophobicContact CD2-CD2 4.48Å; F548-F732 HydrophobicContact CE1-CB 3.75Å; F548-F732 HydrophobicContact CE1-CD2 4.47Å; F548-F732 HydrophobicContact CE1-CG 4.28Å; F548-F732 HydrophobicContact CE2-CB 4.34Å; F548-F732 AromaticContact CE2-CD2 3.7Å; F548-F732 HydrophobicContact CE2-CD2 3.7Å; F548-F732 HydrophobicContact CE2-CE2 4.44Å; F548-F732 HydrophobicContact CE2-CG 4.32Å; F548-F732 HydrophobicContact CZ-CB 3.85Å; F548-F732 AromaticContact CZ-CD2 3.7Å; F548-F732 HydrophobicContact CZ-CD2 3.7Å; F548-F732 HydrophobicContact CZ-CE2 4.5Å; F548-F732 AromaticContact CZ-CG 3.89Å; F548-F732 HydrophobicContact CZ-CG 3.89Å; F548-F732 PolarHBondContact N-O 2.84Å; F548-F732 VanDerWaalsContact N-O 3.11Å; F548-F732 PolarHBondContact O-N 3.02Å; F550-F732 HydrophobicContact CB-CE2 4.41Å; V569-F732 HydrophobicContact CG1-CE1 3.82Å; V569-F732 HydrophobicContact CG1-CZ 3.98Å; V569-F732 HydrophobicContact CG2-CZ 4.49Å; V720-F732 HydrophobicContact CG1-CD1 4.17Å; S721-F732 CarbonylContact O-C 3.58Å; S721-F732 WeakPolarHBondContact O-CA 3.5Å; Y722-F732 HydrophobicContact CG-CE1 4.24Å; I730-F732 HydrophobicContact CB-CE2 3.88Å; I730-F732 HydrophobicContact CG2-CD2 4.1Å; I730-F732 HydrophobicContact CG2-CE2 3.42Å; I730-F732 VanDerWaalsContact CG2-CE2 3.42Å; I730-F732 HydrophobicContact CG2-CZ 3.7Å; F732-I752 HydrophobicContact CD1-CG2 4.34Å; F732-I752 HydrophobicContact CE1-CG2 3.99Å; F732-I752 HydrophobicContact CE2-CG2 4.36Å; F732-I752 HydrophobicContact CZ-CG2 4.01Å; F732-L756 HydrophobicContact CE2-CD1 3.78Å; F732-L756 HydrophobicContact CZ-CD1 3.98Å
733	H	97.5	Very high	93.8	Very high	5 Å²	5	35.6 Å²	35.6	2%	0.023	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	114.2	168.2	-64.8	-110.2	0	0	0	107.7	Y254 V547 C706 G708 V720 S721	Y254-H733 AromaticContact CE2-ND1 3.74Å; Y254-H733 AromaticContact CZ-ND1 3.71Å; Y254-H733 PolarHBondContact OH-ND1 2.57Å; V547-H733 HydrophobicContact CG2-CB 4.42Å; C706-H733 PolarHBondContact O-NE2 3.35Å; C706-H733 VanDerWaalsContact O-NE2 3.11Å; G708-H733 PolarHBondContact O-CD2 3.39Å; V720-H733 CarbonylContact C-O 3.46Å; V720-H733 WeakPolarHBondContact CA-O 3.45Å; S721-H733 PolarHBondContact N-O 3.24Å; S721-H733 PolarHBondContact O-N 3.09Å
734	I	98.3	Very high	94	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.1	-177.7	-56.2	168.8	0	0	0	108.3	F545 H546 F548 Y718 G719 V720 A745 F748 I752	F545-I734 CarbonylContact C-O 3.53Å; F545-I734 VanDerWaalsContact CA-O 3.31Å; F545-I734 WeakPolarHBondContact CA-O 3.48Å; F545-I734 WeakPolarHBondContact CD1-O 3.35Å; H546-I734 HydrophobicContact CB-CB 4.44Å; H546-I734 PolarHBondContact N-O 3.41Å; H546-I734 WeakPolarHBondContact O-CB 3.39Å; H546-I734 PolarHBondContact O-N 2.91Å; F548-I734 HydrophobicContact CE1-CD1 3.79Å; Y718-I734 HydrophobicContact CD1-CG2 4.23Å; G719-I734 CarbonylContact O-C 3.46Å; G719-I734 VanDerWaalsContact O-CA 3.31Å; G719-I734 WeakPolarHBondContact O-CA 3.43Å; V720-I734 HydrophobicContact CG1-CG1 4.42Å; I734-A745 HydrophobicContact CB-CB 4.44Å; I734-A745 HydrophobicContact CG2-CB 3.94Å; I734-F748 HydrophobicContact CG2-CD1 3.93Å; I734-I752 HydrophobicContact CD1-CD1 3.65Å; I734-I752 HydrophobicContact CG1-CD1 4.34Å
735	S	98.4	Very high	94.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147.1	173.6	63.1	0	0	0	0	111.4	D544 F710 G711 P712 Y718 G719	D544-S735 VanDerWaalsContact O-CA 3.24Å; D544-S735 WeakPolarHBondContact O-CA 3.43Å; F710-S735 WeakPolarHBondContact O-CB 3.32Å; F710-S735 PolarHBondContact O-OG 3.49Å; G711-S735 VanDerWaalsContact C-OG 3.32Å; G711-S735 WeakPolarHBondContact CA-OG 3.47Å; P712-S735 WeakPolarHBondContact CD-OG 3.32Å; Y718-S735 CarbonylContact C-O 3.57Å; Y718-S735 VanDerWaalsContact CA-O 3.28Å; Y718-S735 WeakPolarHBondContact CA-O 3.31Å; G719-S735 PolarHBondContact N-O 3.47Å; G719-S735 PolarHBondContact O-N 3.07Å
736	C	98.1	Very high	94.9	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.007	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	-171	170.4	67.6	0	0	0	0	109.8	D544 Y718 T743 A745	D544-C736 PolarHBondContact N-O 3.23Å; D544-C736 PolarHBondContact O-N 3.39Å; Y718-C736 HydrophobicContact CD1-CB 3.65Å; Y718-C736 HydrophobicContact CE1-CB 3.86Å; C736-T743 HydrophobicContact CB-CG2 4.44Å; C736-A745 PolarHBondContact SG-N 3.25Å; C736-A745 VanDerWaalsContact SG-N 3.44Å
737	K	97.6	Very high	95.6	Very high	16 Å²	16	42.1 Å²	42.1	7%	0.07	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.4	176.7	-65.1	-166.5	175.3	-173.2	0	111.9	D542 P712 D715 S739 C740 T743	D542-K737 CarbonylContact O-C 3.47Å; D542-K737 WeakPolarHBondContact O-CA 3.33Å; D542-K737 WeakPolarHBondContact OD2-CD 3.28Å; P712-K737 HydrophobicContact CG-CG 3.88Å; D715-K737 HydrophobicContact CB-CD 4.26Å; D715-K737 VanDerWaalsContact OD1-CE 3.28Å; D715-K737 WeakPolarHBondContact OD1-CE 3.26Å; D715-K737 IonicContact OD1-NZ 2.7Å; D715-K737 PolarHBondContact OD1-NZ 3.45Å; K737-S739 PolarHBondContact O-N 3.37Å; K737-C740 PolarHBondContact O-N 2.87Å; K737-C740 VanDerWaalsContact O-N 3.16Å; K737-T743 PolarHBondContact O-OG1 3.31Å
738	H	97.4	Very high	96.2	Very high	103 Å²	103	37.5 Å²	37.5	48%	0.477	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-30	174.9	-72.4	-59.4	0	0	0	112.1	D541 D542 D544 C740	D541-H738 PolarHBondContact O-CD2 3.39Å; D542-H738 PolarHBondContact O-N 2.75Å; D542-H738 PolarHBondContact OD1-N 2.96Å; D544-H738 VanDerWaalsContact CB-CE1 3.43Å; D544-H738 WeakPolarHBondContact CB-CE1 3.47Å; D544-H738 VanDerWaalsContact CG-CE1 3.42Å; D544-H738 IonicContact OD1-CE1 3.9Å; D544-H738 IonicContact OD1-NE2 2.96Å; H738-C740 PolarHBondContact O-N 3.3Å
739	S	96.9	Very high	96.6	Very high	81 Å²	81	33 Å²	33	57%	0.566	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.1	175.9	55.3	0	0	0	0	113.7	D542 K737	D542-S739 VanDerWaalsContact CG-OG 3.3Å; D542-S739 WeakPolarHBondContact OD1-CA 3.36Å; D542-S739 WeakPolarHBondContact OD1-CB 3.31Å; D542-S739 PolarHBondContact OD1-N 3.28Å; D542-S739 PolarHBondContact OD1-OG 2.83Å; D542-S739 VanDerWaalsContact OD1-OG 3.1Å; D542-S739 WeakPolarHBondContact OD2-CB 3.29Å; D542-S739 PolarHBondContact OD2-OG 3.5Å; K737-S739 PolarHBondContact O-N 3.37Å
740	C	96.8	Very high	97	Very high	18 Å²	18	35.6 Å²	35.6	12%	0.122	21%	0.206	C	C	.	.			trans	-96.9	104.4	173.2	179.4	0	0	0	0	110.6	D715 K737 H738 Q742 T743	D715-C740 WeakPolarHBondContact O-CB 3.39Å; K737-C740 PolarHBondContact O-N 2.87Å; K737-C740 VanDerWaalsContact O-N 3.16Å; H738-C740 PolarHBondContact O-N 3.3Å; C740-Q742 PolarHBondContact O-N 2.94Å; C740-T743 WeakPolarHBondContact CB-OG1 3.31Å; C740-T743 PolarHBondContact O-N 3.17Å; C740-T743 PolarHBondContact O-OG1 3.17Å
741	S	95.6	Very high	97.2	Very high	122 Å²	122	39.2 Å²	39.2	85%	0.853	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-7.2	178.2	69.5	0	0	0	0	114.6
742	Q	94.9	Very high	97.4	Very high	118 Å²	118	39.1 Å²	39.1	55%	0.551	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-0.1	178.4	-57.4	-177.6	-30.1	0	0	112.6	R581 C740	R581-Q742 WeakPolarHBondContact CD-O 3.33Å; R581-Q742 VanDerWaalsContact CZ-CB 3.46Å; R581-Q742 VanDerWaalsContact NH1-CB 3.28Å; R581-Q742 PolarHBondContact NH1-O 3.39Å; C740-Q742 PolarHBondContact O-N 2.94Å
743	T	96.8	Very high	97.5	Very high	12 Å²	12	42.7 Å²	42.7	7%	0.074	23%	0.234	C	C	.	.			trans	-123.4	137	177.2	53.7	0	0	0	0	111.3	R581 Y718 C736 K737 C740	R581-T743 VanDerWaalsContact NH1-CG2 3.32Å; Y718-T743 HydrophobicContact CD2-CG2 4.36Å; Y718-T743 HydrophobicContact CE1-CG2 4.13Å; Y718-T743 HydrophobicContact CE2-CG2 3.88Å; Y718-T743 WeakPolarHBondContact OH-CA 3.41Å; C736-T743 HydrophobicContact CB-CG2 4.44Å; K737-T743 PolarHBondContact O-OG1 3.31Å; C740-T743 WeakPolarHBondContact CB-OG1 3.31Å; C740-T743 PolarHBondContact O-N 3.17Å; C740-T743 PolarHBondContact O-OG1 3.17Å
744	D	97.8	Very high	97.6	Very high	67 Å²	67	44.4 Å²	44.4	36%	0.358	25%	0.249	S	C	.	.			trans	-148.2	121.3	174.4	178.6	-55.1	0	0	0	108.8	Y718 H746 V747 F748	Y718-D744 PolarHBondContact OH-N 3.03Å; Y718-D744 VanDerWaalsContact OH-N 3.17Å; D744-H746 VanDerWaalsContact C-N 3.3Å; D744-H746 PolarHBondContact O-N 2.74Å; D744-H746 WeakPolarHBondContact OD1-CA 3.46Å; D744-H746 WeakPolarHBondContact OD1-CB 3.24Å; D744-H746 PolarHBondContact OD1-N 3.11Å; D744-V747 HydrophobicContact CB-CB 3.94Å; D744-V747 HydrophobicContact CB-CG2 3.94Å; D744-V747 WeakPolarHBondContact OD1-CG2 3.39Å; D744-V747 PolarHBondContact OD1-N 3.41Å; D744-F748 VanDerWaalsContact O-CB 3.26Å; D744-F748 WeakPolarHBondContact O-CB 3.34Å; D744-F748 PolarHBondContact O-N 3.36Å
745	A	97.5	Very high	97.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.8	-32.2	-172.1	0	0	0	0	0	112.2	D544 H546 I734 C736 G749	D544-A745 HydrophobicContact CB-CB 4.37Å; D544-A745 VanDerWaalsContact OD2-CB 3.26Å; D544-A745 WeakPolarHBondContact OD2-CB 3.41Å; D544-A745 PolarHBondContact OD2-N 2.91Å; D544-A745 VanDerWaalsContact OD2-N 3.12Å; H546-A745 HydrophobicContact CB-CB 3.65Å; H546-A745 WeakPolarHBondContact CB-O 3.14Å; I734-A745 HydrophobicContact CB-CB 4.44Å; I734-A745 HydrophobicContact CG2-CB 3.94Å; C736-A745 PolarHBondContact SG-N 3.25Å; C736-A745 VanDerWaalsContact SG-N 3.44Å; A745-G749 PolarHBondContact O-N 3.45Å
746	H	96.9	Very high	97.6	Very high	67 Å²	67	44.4 Å²	44.4	31%	0.31	25%	0.249	S	C	.	.	H	α-helix	trans	-76.5	-43.6	-178.9	-74.4	73.5	0	0	0	111.8	D436 F545 H546 D744 G749 S750	D436-H746 IonicContact OD2-CE1 3.75Å; D436-H746 PolarHBondContact OD2-CE1 3.31Å; D436-H746 IonicContact OD2-NE2 3.71Å; D436-H746 PolarHBondContact OD2-NE2 2.96Å; F545-H746 PolarHBondContact O-CE1 3.36Å; F545-H746 VanDerWaalsContact O-CE1 3.28Å; H546-H746 AromaticContact CE1-CD2 3.63Å; H546-H746 AromaticContact CE1-NE2 3.94Å; H546-H746 AromaticContact CG-CD2 3.89Å; H546-H746 AromaticContact CG-CG 3.95Å; H546-H746 AromaticContact ND1-CD2 3.15Å; H546-H746 PolarHBondContact ND1-CD2 3.45Å; H546-H746 AromaticContact ND1-CE1 3.67Å; H546-H746 AromaticContact ND1-CG 3.66Å; H546-H746 AromaticContact ND1-ND1 3.98Å; H546-H746 AromaticContact ND1-NE2 3.15Å; H546-H746 PolarHBondContact ND1-NE2 2.92Å; H546-H746 VanDerWaalsContact ND1-NE2 3.15Å; D744-H746 VanDerWaalsContact C-N 3.3Å; D744-H746 PolarHBondContact O-N 2.74Å; D744-H746 WeakPolarHBondContact OD1-CA 3.46Å; D744-H746 WeakPolarHBondContact OD1-CB 3.24Å; D744-H746 PolarHBondContact OD1-N 3.11Å; H746-G749 PolarHBondContact O-N 2.93Å; H746-S750 WeakPolarHBondContact O-CB 3.33Å; H746-S750 PolarHBondContact O-N 3.2Å; H746-S750 PolarHBondContact O-OG 3.07Å
747	V	97.5	Very high	97.5	Very high	62 Å²	62	47.6 Å²	47.6	38%	0.376	26%	0.264	S	S	.	.	H	α-helix	trans	-61.2	-49.5	173.3	175.1	0	0	0	0	109	D744 G749 S750 K751	D744-V747 HydrophobicContact CB-CB 3.94Å; D744-V747 HydrophobicContact CB-CG2 3.94Å; D744-V747 WeakPolarHBondContact OD1-CG2 3.39Å; D744-V747 PolarHBondContact OD1-N 3.41Å; V747-G749 VanDerWaalsContact C-N 3.34Å; V747-G749 PolarHBondContact O-N 2.85Å; V747-S750 WeakPolarHBondContact O-CB 3.36Å; V747-S750 PolarHBondContact O-N 3.37Å; V747-S750 VanDerWaalsContact O-N 3.1Å; V747-K751 WeakPolarHBondContact O-CG 3.33Å; V747-K751 PolarHBondContact O-N 3.04Å
748	F	98.4	Very high	97.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-40.7	179.6	-169.1	-127.2	0	0	0	112.2	A576 Y577 D580 L682 Y718 V720 I734 D744 S750 K751 I752	A576-F748 HydrophobicContact CB-CD2 4.48Å; A576-F748 HydrophobicContact CB-CE2 3.87Å; A576-F748 HydrophobicContact CB-CZ 4.46Å; Y577-F748 HydrophobicContact CD2-CE2 4.39Å; Y577-F748 HydrophobicContact CD2-CZ 4.41Å; D580-F748 HydrophobicContact CB-CD2 4.2Å; L682-F748 HydrophobicContact CD1-CE1 4.06Å; L682-F748 HydrophobicContact CD1-CZ 4.12Å; Y718-F748 HydrophobicContact CD1-CB 4.28Å; Y718-F748 AromaticContact CD1-CD1 3.7Å; Y718-F748 HydrophobicContact CD1-CD1 3.7Å; Y718-F748 HydrophobicContact CD1-CE1 4.32Å; Y718-F748 HydrophobicContact CD1-CG 4.14Å; Y718-F748 HydrophobicContact CD2-CD1 4.12Å; Y718-F748 HydrophobicContact CD2-CE1 4.11Å; Y718-F748 HydrophobicContact CD2-CG 4.38Å; Y718-F748 HydrophobicContact CD2-CZ 4.41Å; Y718-F748 HydrophobicContact CE1-CB 3.65Å; Y718-F748 AromaticContact CE1-CD1 3.93Å; Y718-F748 HydrophobicContact CE1-CD1 3.93Å; Y718-F748 AromaticContact CE1-CG 3.87Å; Y718-F748 HydrophobicContact CE1-CG 3.87Å; Y718-F748 HydrophobicContact CE2-CD1 4.29Å; Y718-F748 HydrophobicContact CE2-CD2 4.19Å; Y718-F748 HydrophobicContact CE2-CG 4.09Å; Y718-F748 AromaticContact CG-CD1 3.81Å; Y718-F748 HydrophobicContact CG-CD1 3.81Å; Y718-F748 AromaticContact CG-CE1 3.96Å; Y718-F748 HydrophobicContact CG-CE1 3.96Å; Y718-F748 HydrophobicContact CG-CG 4.39Å; Y718-F748 AromaticContact CZ-CG 3.82Å; V720-F748 HydrophobicContact CG2-CD1 4.49Å; V720-F748 HydrophobicContact CG2-CE1 3.8Å; I734-F748 HydrophobicContact CG2-CD1 3.93Å; D744-F748 VanDerWaalsContact O-CB 3.26Å; D744-F748 WeakPolarHBondContact O-CB 3.34Å; D744-F748 PolarHBondContact O-N 3.36Å; F748-S750 VanDerWaalsContact C-N 3.31Å; F748-S750 PolarHBondContact O-N 3Å; F748-K751 WeakPolarHBondContact O-CB 3.47Å; F748-K751 PolarHBondContact O-N 3.45Å; F748-K751 VanDerWaalsContact O-N 3.14Å; F748-I752 HydrophobicContact CD1-CD1 3.87Å; F748-I752 HydrophobicContact CE1-CD1 3.72Å; F748-I752 HydrophobicContact CE1-CG1 4.42Å; F748-I752 HydrophobicContact CG-CD1 4.44Å; F748-I752 HydrophobicContact CZ-CD1 4.14Å; F748-I752 HydrophobicContact CZ-CG1 4.38Å; F748-I752 WeakPolarHBondContact O-CG1 3.42Å; F748-I752 PolarHBondContact O-N 3.33Å
749	G	97.8	Very high	97.5	Very high	1 Å²	1	45 Å²	45	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-59	-40	172.3	0	0	0	0	0	113.6	A745 H746 V747 I752 R753	A745-G749 PolarHBondContact O-N 3.45Å; H746-G749 PolarHBondContact O-N 2.93Å; V747-G749 VanDerWaalsContact C-N 3.34Å; V747-G749 PolarHBondContact O-N 2.85Å; G749-I752 PolarHBondContact O-N 3.18Å; G749-R753 PolarHBondContact O-N 3.34Å
750	S	97.9	Very high	97.5	Very high	73 Å²	73	41.7 Å²	41.7	51%	0.51	23%	0.23	S	C	.	.	H	α-helix	trans	-65.1	-40.1	174.1	-59.6	0	0	0	0	111.8	H746 V747 F748 R753 A754	H746-S750 WeakPolarHBondContact O-CB 3.33Å; H746-S750 PolarHBondContact O-N 3.2Å; H746-S750 PolarHBondContact O-OG 3.07Å; V747-S750 WeakPolarHBondContact O-CB 3.36Å; V747-S750 PolarHBondContact O-N 3.37Å; V747-S750 VanDerWaalsContact O-N 3.1Å; F748-S750 VanDerWaalsContact C-N 3.31Å; F748-S750 PolarHBondContact O-N 3Å; S750-R753 PolarHBondContact O-N 2.98Å; S750-A754 PolarHBondContact O-N 2.68Å
751	K	98.4	Very high	97.4	Very high	75 Å²	75	45.3 Å²	45.3	33%	0.326	25%	0.245	S	C	.	.	H	α-helix	trans	-64.5	-39.1	173.8	-61.6	-60.6	-178.1	173.2	0	112	A576 R579 D580 V747 F748 A754 A755	A576-K751 HydrophobicContact CB-CB 3.9Å; R579-K751 HydrophobicContact CB-CD 4.25Å; D580-K751 HydrophobicContact CB-CG 4.46Å; V747-K751 WeakPolarHBondContact O-CG 3.33Å; V747-K751 PolarHBondContact O-N 3.04Å; F748-K751 WeakPolarHBondContact O-CB 3.47Å; F748-K751 PolarHBondContact O-N 3.45Å; F748-K751 VanDerWaalsContact O-N 3.14Å; K751-A754 PolarHBondContact O-N 3.29Å; K751-A755 VanDerWaalsContact O-CB 3.29Å; K751-A755 WeakPolarHBondContact O-CB 3.39Å; K751-A755 PolarHBondContact O-N 2.95Å
752	I	98.7	Very high	97.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.3	-47.8	174.5	-69.2	168.7	0	0	0	110.2	F548 L573 A576 F732 I734 F748 G749 A754 A755 L756	F548-I752 HydrophobicContact CZ-CG2 4.31Å; L573-I752 HydrophobicContact CD2-CD1 3.5Å; L573-I752 VanDerWaalsContact CD2-CD1 3.5Å; L573-I752 HydrophobicContact CD2-CG1 3.79Å; L573-I752 HydrophobicContact CD2-CG2 4.45Å; A576-I752 HydrophobicContact CB-CB 4.45Å; A576-I752 HydrophobicContact CB-CG1 3.71Å; F732-I752 HydrophobicContact CD1-CG2 4.34Å; F732-I752 HydrophobicContact CE1-CG2 3.99Å; F732-I752 HydrophobicContact CE2-CG2 4.36Å; F732-I752 HydrophobicContact CZ-CG2 4.01Å; I734-I752 HydrophobicContact CD1-CD1 3.65Å; I734-I752 HydrophobicContact CG1-CD1 4.34Å; F748-I752 HydrophobicContact CD1-CD1 3.87Å; F748-I752 HydrophobicContact CE1-CD1 3.72Å; F748-I752 HydrophobicContact CE1-CG1 4.42Å; F748-I752 HydrophobicContact CG-CD1 4.44Å; F748-I752 HydrophobicContact CZ-CD1 4.14Å; F748-I752 HydrophobicContact CZ-CG1 4.38Å; F748-I752 WeakPolarHBondContact O-CG1 3.42Å; F748-I752 PolarHBondContact O-N 3.33Å; G749-I752 PolarHBondContact O-N 3.18Å; I752-A754 VanDerWaalsContact C-N 3.35Å; I752-A754 PolarHBondContact O-N 3.11Å; I752-A755 PolarHBondContact O-N 2.62Å; I752-L756 HydrophobicContact CG2-CD1 4.09Å; I752-L756 HydrophobicContact CG2-CG 4.35Å; I752-L756 VanDerWaalsContact O-CG 3.31Å; I752-L756 WeakPolarHBondContact O-CG 3.38Å; I752-L756 PolarHBondContact O-N 3.06Å
753	R	98.3	Very high	97.3	Very high	76 Å²	76	35.6 Å²	35.6	29%	0.287	19%	0.187	S	C	.	.	H	α-helix	trans	-57.1	-48	176.9	-174.2	-179.1	-63.2	-89.2	-0.5	111.4	F550 E552 G749 S750 L756 H757	F550-R753 HydrophobicContact CD2-CG 4.15Å; F550-R753 HydrophobicContact CE2-CG 4.01Å; E552-R753 IonicContact OE1-CZ 2.9Å; E552-R753 IonicContact OE1-NH1 2.86Å; E552-R753 PolarHBondContact OE1-NH1 3.48Å; E552-R753 IonicContact OE2-NH1 3.95Å; E552-R753 PolarHBondContact OE2-NH1 3.33Å; G749-R753 PolarHBondContact O-N 3.34Å; S750-R753 PolarHBondContact O-N 2.98Å; R753-L756 PolarHBondContact O-N 3.21Å; R753-H757 PolarHBondContact O-CD2 3.38Å; R753-H757 PolarHBondContact O-N 2.57Å
754	A	98.4	Very high	96.5	Very high	41 Å²	41	36.7 Å²	36.7	34%	0.339	19%	0.193	S	C	.	.	H	α-helix	trans	-60.5	-46.4	176.8	0	0	0	0	0	111.8	S750 K751 I752 L756 H757 D758	S750-A754 PolarHBondContact O-N 2.68Å; K751-A754 PolarHBondContact O-N 3.29Å; I752-A754 VanDerWaalsContact C-N 3.35Å; I752-A754 PolarHBondContact O-N 3.11Å; A754-L756 PolarHBondContact O-N 2.92Å; A754-H757 PolarHBondContact O-N 2.93Å; A754-D758 VanDerWaalsContact O-CG 3.29Å; A754-D758 PolarHBondContact O-N 3.49Å
755	A	98.6	Very high	94.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-43.4	177.5	0	0	0	0	0	112.2	A572 L575 A576 K751 I752 H757 D758 L759	A572-A755 HydrophobicContact CB-CB 4.18Å; A572-A755 WeakPolarHBondContact O-CB 3.38Å; L575-A755 HydrophobicContact CB-CB 4.21Å; L575-A755 HydrophobicContact CD2-CB 3.88Å; L575-A755 HydrophobicContact CG-CB 4.1Å; A576-A755 HydrophobicContact CB-CB 4.29Å; K751-A755 VanDerWaalsContact O-CB 3.29Å; K751-A755 WeakPolarHBondContact O-CB 3.39Å; K751-A755 PolarHBondContact O-N 2.95Å; I752-A755 PolarHBondContact O-N 2.62Å; A755-H757 VanDerWaalsContact C-N 3.33Å; A755-H757 PolarHBondContact O-N 3.27Å; A755-D758 PolarHBondContact O-N 2.88Å; A755-L759 WeakPolarHBondContact O-CB 3.42Å; A755-L759 WeakPolarHBondContact O-CG 3.34Å; A755-L759 PolarHBondContact O-N 2.99Å
756	L	98.4	Very high	93.1	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.2	-44.4	176.1	-70.8	171.3	0	0	0	111.7	F550 F553 F568 V569 A572 F732 I752 R753 A754 L760	F550-L756 HydrophobicContact CD1-CD1 4.13Å; F550-L756 HydrophobicContact CD2-CD1 3.96Å; F550-L756 HydrophobicContact CE1-CD1 4.28Å; F550-L756 HydrophobicContact CE2-CB 4.3Å; F550-L756 HydrophobicContact CE2-CD1 4.13Å; F550-L756 HydrophobicContact CG-CD1 3.97Å; F550-L756 HydrophobicContact CZ-CB 4.09Å; F550-L756 HydrophobicContact CZ-CD1 4.28Å; F553-L756 HydrophobicContact CZ-CB 3.93Å; F553-L756 WeakPolarHBondContact CZ-O 3.44Å; F568-L756 HydrophobicContact CD1-CD2 4.1Å; F568-L756 HydrophobicContact CE1-CD2 3.67Å; V569-L756 HydrophobicContact CG2-CD2 4.47Å; A572-L756 HydrophobicContact CB-CD2 3.77Å; A572-L756 HydrophobicContact CB-CG 4.24Å; F732-L756 HydrophobicContact CE2-CD1 3.78Å; F732-L756 HydrophobicContact CZ-CD1 3.98Å; I752-L756 HydrophobicContact CG2-CD1 4.09Å; I752-L756 HydrophobicContact CG2-CG 4.35Å; I752-L756 VanDerWaalsContact O-CG 3.31Å; I752-L756 WeakPolarHBondContact O-CG 3.38Å; I752-L756 PolarHBondContact O-N 3.06Å; R753-L756 PolarHBondContact O-N 3.21Å; A754-L756 PolarHBondContact O-N 2.92Å; L756-L760 WeakPolarHBondContact O-CB 3.41Å; L756-L760 PolarHBondContact O-N 3.43Å; L756-L760 VanDerWaalsContact O-N 3.11Å
757	H	97.8	Very high	90.9	Very high	68 Å²	68	47.4 Å²	47.4	32%	0.315	26%	0.255	S	S	.	.	H	α-helix	trans	-65.4	-47.5	177.2	-77.5	-66.4	0	0	0	112.5	F550 R753 A754 A755 L759 L760 H761	F550-H757 AromaticContact CE2-NE2 3.56Å; F550-H757 AromaticContact CZ-CE1 3.97Å; F550-H757 AromaticContact CZ-NE2 3.91Å; R753-H757 PolarHBondContact O-CD2 3.38Å; R753-H757 PolarHBondContact O-N 2.57Å; A754-H757 PolarHBondContact O-N 2.93Å; A755-H757 VanDerWaalsContact C-N 3.33Å; A755-H757 PolarHBondContact O-N 3.27Å; H757-L759 VanDerWaalsContact C-N 3.34Å; H757-L759 PolarHBondContact O-N 3.12Å; H757-L760 PolarHBondContact O-N 3.3Å; H757-L760 VanDerWaalsContact O-N 3.16Å; H757-H761 PolarHBondContact O-N 3.1Å
758	D	97.4	Very high	88.2	Confident	64 Å²	64	53.5 Å²	53.5	34%	0.342	28%	0.276	S	S	.	.	H	α-helix	trans	-62	-43	-178.7	-68.5	-15.4	0	0	0	111.7	R579 A754 A755 L760 H761 L762	R579-D758 IonicContact CZ-OD2 3.61Å; R579-D758 IonicContact NH1-OD2 3.69Å; R579-D758 PolarHBondContact NH1-OD2 2.95Å; R579-D758 IonicContact NH2-OD2 2.76Å; R579-D758 PolarHBondContact NH2-OD2 3.38Å; A754-D758 VanDerWaalsContact O-CG 3.29Å; A754-D758 PolarHBondContact O-N 3.49Å; A755-D758 PolarHBondContact O-N 2.88Å; D758-L760 VanDerWaalsContact C-N 3.33Å; D758-L760 PolarHBondContact O-N 3.39Å; D758-H761 WeakPolarHBondContact O-CB 3.38Å; D758-H761 PolarHBondContact O-N 3.15Å; D758-L762 WeakPolarHBondContact O-CB 3.34Å; D758-L762 PolarHBondContact O-N 3.27Å
759	L	97.4	Very high	85.4	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63.2	-40.1	175.6	-69.5	-175.5	0	0	0	111.9	F568 M571 A572 L575 F614 F631 A755 H757 L762 L763	F568-L759 HydrophobicContact CD2-CB 4.5Å; F568-L759 HydrophobicContact CE1-CB 4.26Å; F568-L759 HydrophobicContact CE1-CD1 4.39Å; F568-L759 HydrophobicContact CE2-CB 3.6Å; F568-L759 HydrophobicContact CE2-CD1 4.43Å; F568-L759 HydrophobicContact CZ-CB 3.45Å; F568-L759 VanDerWaalsContact CZ-CB 3.45Å; F568-L759 HydrophobicContact CZ-CD1 4.29Å; M571-L759 HydrophobicContact CB-CD1 4.35Å; A572-L759 HydrophobicContact CB-CD1 3.68Å; L575-L759 HydrophobicContact CD2-CD2 4.28Å; L575-L759 HydrophobicContact CD2-CG 4.43Å; F614-L759 HydrophobicContact CE1-CD2 3.77Å; F614-L759 HydrophobicContact CE2-CD2 4.49Å; F614-L759 HydrophobicContact CZ-CD2 3.36Å; F631-L759 HydrophobicContact CD2-CD2 3.85Å; F631-L759 HydrophobicContact CE2-CD1 3.99Å; F631-L759 HydrophobicContact CE2-CD2 3.75Å; F631-L759 HydrophobicContact CE2-CG 4.36Å; A755-L759 WeakPolarHBondContact O-CB 3.42Å; A755-L759 WeakPolarHBondContact O-CG 3.34Å; A755-L759 PolarHBondContact O-N 2.99Å; H757-L759 VanDerWaalsContact C-N 3.34Å; H757-L759 PolarHBondContact O-N 3.12Å; L759-L762 PolarHBondContact O-N 2.87Å; L759-L763 WeakPolarHBondContact O-CB 3.2Å; L759-L763 WeakPolarHBondContact O-CG 3.42Å; L759-L763 PolarHBondContact O-N 3.46Å
760	L	95.6	Very high	82.5	Confident	12 Å²	12	66.2 Å²	66.2	6%	0.063	35%	0.345	C	S	.	.	H	α-helix	trans	-65.7	-44	176.2	-176.4	65.8	0	0	0	111	F553 K557 F568 L756 H757 D758 L762 L763 D764	F553-L760 HydrophobicContact CD1-CD2 3.34Å; F553-L760 HydrophobicContact CD2-CD2 4.49Å; F553-L760 HydrophobicContact CE1-CB 3.98Å; F553-L760 HydrophobicContact CE1-CD2 3.41Å; F553-L760 VanDerWaalsContact CE1-CD2 3.41Å; F553-L760 HydrophobicContact CE1-CG 4.28Å; F553-L760 HydrophobicContact CG-CD2 3.91Å; F553-L760 HydrophobicContact CZ-CB 4.02Å; F553-L760 HydrophobicContact CZ-CD2 4.06Å; K557-L760 HydrophobicContact CD-CD1 4.01Å; K557-L760 HydrophobicContact CD-CD2 3.76Å; K557-L760 HydrophobicContact CD-CG 4.48Å; K557-L760 HydrophobicContact CG-CD1 4.08Å; F568-L760 HydrophobicContact CZ-CB 4.38Å; L756-L760 WeakPolarHBondContact O-CB 3.41Å; L756-L760 PolarHBondContact O-N 3.43Å; L756-L760 VanDerWaalsContact O-N 3.11Å; H757-L760 PolarHBondContact O-N 3.3Å; H757-L760 VanDerWaalsContact O-N 3.16Å; D758-L760 VanDerWaalsContact C-N 3.33Å; D758-L760 PolarHBondContact O-N 3.39Å; L760-L762 VanDerWaalsContact C-N 3.33Å; L760-L762 PolarHBondContact O-N 2.58Å; L760-L763 PolarHBondContact O-N 3.01Å; L760-D764 VanDerWaalsContact O-CB 3.27Å; L760-D764 WeakPolarHBondContact O-CB 3.35Å; L760-D764 PolarHBondContact O-N 3.23Å
761	H	94.4	Very high	79.5	Confident	93 Å²	93	68.5 Å²	68.5	43%	0.431	35%	0.351	S	S	.	.	H	α-helix	trans	-57.5	-44.1	175.4	-114.7	-129.8	0	0	0	112.7	H757 D758 L763 Y767	H757-H761 PolarHBondContact O-N 3.1Å; D758-H761 WeakPolarHBondContact O-CB 3.38Å; D758-H761 PolarHBondContact O-N 3.15Å; H761-L763 PolarHBondContact O-N 3.41Å; H761-Y767 AromaticContact CD2-CD2 3.91Å; H761-Y767 AromaticContact CD2-CE2 3.72Å; H761-Y767 AromaticContact CD2-CZ 3.99Å; H761-Y767 AromaticContact CE1-CD1 3.76Å; H761-Y767 AromaticContact CE1-CE1 3.07Å; H761-Y767 WeakPolarHBondContact CE1-CE1 3.44Å; H761-Y767 AromaticContact CE1-CE2 3.44Å; H761-Y767 VanDerWaalsContact CE1-CE2 3.44Å; H761-Y767 WeakPolarHBondContact CE1-CE2 3.45Å; H761-Y767 AromaticContact CE1-CZ 2.88Å; H761-Y767 PolarHBondContact CE1-OH 3.31Å; H761-Y767 AromaticContact ND1-CD1 3.74Å; H761-Y767 AromaticContact ND1-CE1 3.48Å; H761-Y767 WeakPolarHBondContact ND1-CE1 3.38Å; H761-Y767 AromaticContact ND1-CZ 3.72Å; H761-Y767 AromaticContact NE2-CD2 3.73Å; H761-Y767 AromaticContact NE2-CE1 3.67Å; H761-Y767 AromaticContact NE2-CE2 3.06Å; H761-Y767 WeakPolarHBondContact NE2-CE2 3.45Å; H761-Y767 AromaticContact NE2-CZ 3.03Å; H761-Y767 PolarHBondContact NE2-OH 3.31Å
762	L	95.1	Very high	76.6	Confident	18 Å²	18	74.2 Å²	74.2	9%	0.094	38%	0.376	C	S	.	.	H	α-helix	trans	-61.4	-34.9	179.2	178	64	0	0	0	112.2	F614 L618 A624 C627 R628 D758 L759 L760	F614-L762 HydrophobicContact CE2-CD2 3.82Å; F614-L762 HydrophobicContact CZ-CD2 4.28Å; L618-L762 HydrophobicContact CD1-CD2 4.34Å; A624-L762 HydrophobicContact CB-CD1 4.17Å; C627-L762 HydrophobicContact CB-CD1 3.77Å; C627-L762 HydrophobicContact CB-CD2 3.97Å; R628-L762 VanDerWaalsContact CD-O 3.27Å; R628-L762 WeakPolarHBondContact CD-O 3.38Å; R628-L762 HydrophobicContact CG-CD1 3.91Å; R628-L762 HydrophobicContact CG-CG 3.93Å; R628-L762 VanDerWaalsContact CG-O 3.28Å; R628-L762 WeakPolarHBondContact CG-O 3.46Å; R628-L762 PolarHBondContact NH1-O 2.51Å; D758-L762 WeakPolarHBondContact O-CB 3.34Å; D758-L762 PolarHBondContact O-N 3.27Å; L759-L762 PolarHBondContact O-N 2.87Å; L760-L762 VanDerWaalsContact C-N 3.33Å; L760-L762 PolarHBondContact O-N 2.58Å
763	L	93.4	Very high	73.6	Confident	19 Å²	19	81.1 Å²	81.1	10%	0.099	41%	0.408	C	S	.	.	H	α-helix	trans	-99.6	-24.6	-171.5	-62.9	176.2	0	0	0	114.6	C561 V563 F568 R628 F631 L759 L760 H761 P765	C561-L763 HydrophobicContact CB-CB 4.2Å; C561-L763 HydrophobicContact CB-CD1 4.45Å; V563-L763 HydrophobicContact CG2-CD1 4.28Å; F568-L763 HydrophobicContact CD2-CD1 3.98Å; F568-L763 HydrophobicContact CE2-CD1 3.77Å; R628-L763 HydrophobicContact CG-CD2 4.33Å; F631-L763 HydrophobicContact CD1-CD1 3.9Å; F631-L763 HydrophobicContact CD1-CD2 3.67Å; F631-L763 HydrophobicContact CD1-CG 4.32Å; F631-L763 HydrophobicContact CE1-CD1 3.44Å; F631-L763 VanDerWaalsContact CE1-CD1 3.44Å; F631-L763 HydrophobicContact CE1-CD2 4.08Å; F631-L763 HydrophobicContact CE1-CG 4.33Å; F631-L763 HydrophobicContact CE2-CD1 4.47Å; F631-L763 HydrophobicContact CG-CD2 4.25Å; F631-L763 HydrophobicContact CZ-CD1 3.75Å; L759-L763 WeakPolarHBondContact O-CB 3.2Å; L759-L763 WeakPolarHBondContact O-CG 3.42Å; L759-L763 PolarHBondContact O-N 3.46Å; L760-L763 PolarHBondContact O-N 3.01Å; H761-L763 PolarHBondContact O-N 3.41Å; L763-P765 VanDerWaalsContact O-CD 3.26Å; L763-P765 WeakPolarHBondContact O-CD 3.37Å
764	D	81.5	Confident	70.7	Confident	35 Å²	35	87.7 Å²	87.7	19%	0.187	43%	0.433	C	S	.	.			trans	-67.9	113.5	-175.1	-164.7	-26.9	0	0	0	109.8	K557 L760 V766 Y767	K557-D764 WeakPolarHBondContact CE-OD2 3.12Å; K557-D764 IonicContact NZ-OD2 3.34Å; K557-D764 PolarHBondContact NZ-OD2 3.49Å; L760-D764 VanDerWaalsContact O-CB 3.27Å; L760-D764 WeakPolarHBondContact O-CB 3.35Å; L760-D764 PolarHBondContact O-N 3.23Å; D764-V766 PolarHBondContact O-N 3.1Å; D764-V766 VanDerWaalsContact O-N 3.11Å; D764-V766 PolarHBondContact OD1-N 2.93Å; D764-V766 VanDerWaalsContact OD1-N 3.11Å; D764-Y767 PolarHBondContact O-N 3.22Å
765	P	62.3	Low	67.8	Low	119 Å²	119	89.9 Å²	89.9	77%	0.773	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-10.7	-176.5	28.2	-34.5	0	0	0	113.4	L763	L763-P765 VanDerWaalsContact O-CD 3.26Å; L763-P765 WeakPolarHBondContact O-CD 3.37Å
766	V	61.1	Low	64.9	Low	122 Å²	122	96 Å²	96	74%	0.739	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-12.7	-179	-173.2	0	0	0	0	112	D764 K768	D764-V766 PolarHBondContact O-N 3.1Å; D764-V766 VanDerWaalsContact O-N 3.11Å; D764-V766 PolarHBondContact OD1-N 2.93Å; D764-V766 VanDerWaalsContact OD1-N 3.11Å; V766-K768 PolarHBondContact O-N 2.82Å
767	Y	49.9	Very low	62	Low	118 Å²	118	99.3 Å²	99.3	46%	0.463	51%	0.505	S	S	.	.			trans	-77.4	97.6	-179.7	-146.7	-85.4	0	0	0	110.7	H761 D764	H761-Y767 AromaticContact CD2-CD2 3.91Å; H761-Y767 AromaticContact CD2-CE2 3.72Å; H761-Y767 AromaticContact CD2-CZ 3.99Å; H761-Y767 AromaticContact CE1-CD1 3.76Å; H761-Y767 AromaticContact CE1-CE1 3.07Å; H761-Y767 WeakPolarHBondContact CE1-CE1 3.44Å; H761-Y767 AromaticContact CE1-CE2 3.44Å; H761-Y767 VanDerWaalsContact CE1-CE2 3.44Å; H761-Y767 WeakPolarHBondContact CE1-CE2 3.45Å; H761-Y767 AromaticContact CE1-CZ 2.88Å; H761-Y767 PolarHBondContact CE1-OH 3.31Å; H761-Y767 AromaticContact ND1-CD1 3.74Å; H761-Y767 AromaticContact ND1-CE1 3.48Å; H761-Y767 WeakPolarHBondContact ND1-CE1 3.38Å; H761-Y767 AromaticContact ND1-CZ 3.72Å; H761-Y767 AromaticContact NE2-CD2 3.73Å; H761-Y767 AromaticContact NE2-CE1 3.67Å; H761-Y767 AromaticContact NE2-CE2 3.06Å; H761-Y767 WeakPolarHBondContact NE2-CE2 3.45Å; H761-Y767 AromaticContact NE2-CZ 3.03Å; H761-Y767 PolarHBondContact NE2-OH 3.31Å; D764-Y767 PolarHBondContact O-N 3.22Å
768	K	40.9	Very low	59.2	Low	190 Å²	190	104.1 Å²	104.1	83%	0.826	53%	0.527	S	S	*	.			trans	-80	124.1	163.5	-73.4	-176.9	176.6	-178.9	0	107.5	V766	V766-K768 PolarHBondContact O-N 2.82Å
769	E	40.4	Very low	56.5	Low	163 Å²	163	106.6 Å²	106.6	76%	0.762	55%	0.545	S	S	*	.			trans	-48.5	135.5	167.2	-76.7	-174.7	157.8	0	0	109.1	N771	E769-N771 PolarHBondContact O-N 3.15Å
770	P	36.3	Very low	53.8	Low	105 Å²	105	115.5 Å²	115.5	68%	0.682	58%	0.583	S	S	*	*			trans	-60.7	110.4	166.8	21	-24.7	0	0	0	107.2	K772	P770-K772 PolarHBondContact O-N 3.5Å
771	N	34.3	Very low	51.2	Low	120 Å²	120	123.9 Å²	123.9	64%	0.642	62%	0.619	S	S	*	*			trans	-42.7	112.4	179.3	-100.7	3.4	0	0	0	110.3	E769 E773 R774	E769-N771 PolarHBondContact O-N 3.15Å; N771-E773 PolarHBondContact O-N 3.01Å; N771-R774 PolarHBondContact O-N 3.44Å
772	K	38.7	Very low	48.9	Very low	195 Å²	195	126.8 Å²	126.8	85%	0.848	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-60.4	-4.9	170.1	-97.5	179.1	174.5	174.7	0	113.3	P770 R774	P770-K772 PolarHBondContact O-N 3.5Å; K772-R774 PolarHBondContact O-N 3.13Å
773	E	36	Very low	46.1	Very low	146 Å²	146	139.1 Å²	139.1	68%	0.682	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-79.7	-7.4	179.7	-70.5	-175.6	152.9	0	0	115.4	N771	N771-E773 PolarHBondContact O-N 3.01Å
774	R	37.4	Very low	43.8	Very low	213 Å²	213	145.2 Å²	145.2	80%	0.804	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-81.6	-8.6	177	-86.5	-173.3	176.9	-177.5	-1.7	115.7	N771 K772	N771-R774 PolarHBondContact O-N 3.44Å; K772-R774 PolarHBondContact O-N 3.13Å
775	S	36	Very low	41.8	Very low	88 Å²	88	150.9 Å²	150.9	62%	0.615	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-90.4	-9.5	177.9	67.3	0	0	0	0	115
776	I	39	Very low	40.6	Very low	127 Å²	127	152.7 Å²	152.7	65%	0.651	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-19.3	179	-60.5	174.8	0	0	0	111.5
777	A	36.7	Very low	39.4	Very low	70 Å²	70	154.5 Å²	154.5	58%	0.579	75%	0.748	S	S	*	*	S	Bend	trans	-83	-19.4	-179.4	0	0	0	0	0	114.3
778	E	38.5	Very low	38.8	Very low	169 Å²	169	156.8 Å²	156.8	79%	0.79	77%	0.765	S	S	*	*	S	Bend	trans	-90.3	-9.2	178.5	-75.4	-177	165.8	0	0	114
779	V	42.3	Very low	38.6	Very low	117 Å²	117	154.6 Å²	154.6	71%	0.709	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-5.2	175.8	-176.8	0	0	0	0	112.7
780	K	38.9	Very low	38.5	Very low	186 Å²	186	154 Å²	154	81%	0.809	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	9.5	179.1	-86.9	-171.6	176.8	-178.7	0	115.1
781	K	42.8	Very low	38.7	Very low	189 Å²	189	157.8 Å²	157.8	82%	0.822	77%	0.767	S	S	*	*	S	Bend	trans	-107.2	-3.2	176.5	-99.8	-174	175.8	-176.3	0	116
782	D	45.6	Very low	39	Very low	153 Å²	153	160.9 Å²	160.9	82%	0.818	78%	0.778	S	S	*	*			trans	-121.5	73.6	168.9	-76	-30.3	0	0	0	110.3
783	K	36.6	Very low	39.1	Very low	278 Å²	278	157.8 Å²	157.8	100%	1.209	77%	0.772	S	S	*	*			trans	-151.9	0	154.1	-86.3	-159.1	178.3	179.6	0	110.6

Retrieved 783 of 783 residues in 1472.1 ms (Link to these results)

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