A0A3Q0KMG3_SCHMA Loading...

NAALADASE L peptidase (M28 family)

AlphaFold DB (A0A5K4ENR6), UniProt , Accession A0A3Q0KMG3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 777 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	32.9	Very low	32.8	Very low	243 Å²	243	172 Å²	172	100%	1.197	84%	0.841	S	S	*	*				0	119.7	0	-85.6	173.5	176	0	0	108.2	I3	M1-I3 PolarHBondContact O-N 3.11Å
2	S	29	Very low	32.9	Very low	118 Å²	118	172 Å²	172	83%	0.825	83%	0.834	S	S	*	*			trans	-68.7	115	-169.6	43.4	0	0	0	0	113.6
3	I	30.5	Very low	33.5	Very low	161 Å²	161	168.3 Å²	168.3	83%	0.826	83%	0.828	S	S	*	*			trans	-92.3	107.7	162	-66	174.9	0	0	0	107	M1 V5	M1-I3 PolarHBondContact O-N 3.11Å; I3-V5 PolarHBondContact O-N 3.05Å
4	K	32.4	Very low	33.8	Very low	192 Å²	192	166.6 Å²	166.6	84%	0.835	82%	0.823	S	S	*	*			trans	-64.4	112.9	175.7	-83.4	174.4	170.9	175.4	0	109.7	L6	K4-L6 PolarHBondContact O-N 3.08Å
5	V	36.3	Very low	34.1	Very low	138 Å²	138	161.2 Å²	161.2	84%	0.836	80%	0.798	S	S	*	*			trans	-73.8	106.8	167.4	178.3	0	0	0	0	107.9	I3 N7	I3-V5 PolarHBondContact O-N 3.05Å; V5-N7 PolarHBondContact O-N 3.24Å
6	L	32.5	Very low	34.2	Very low	157 Å²	157	153.9 Å²	153.9	82%	0.822	78%	0.777	S	S	*	*			trans	-72.6	121.3	175	-93	151.3	0	0	0	110.1	K4 N8	K4-L6 PolarHBondContact O-N 3.08Å; L6-N8 PolarHBondContact O-N 3.4Å
7	N	30	Very low	34.4	Very low	140 Å²	140	150.2 Å²	150.2	75%	0.749	77%	0.769	S	S	*	*			trans	-52.9	109.6	171.5	-84.4	-41	0	0	0	112.4	V5	V5-N7 PolarHBondContact O-N 3.24Å
8	N	32.9	Very low	34.8	Very low	145 Å²	145	147.3 Å²	147.3	78%	0.775	75%	0.754	S	S	*	*			trans	-107.8	80.7	160	-94.8	-20	0	0	0	109.5	L6 Y10	L6-N8 PolarHBondContact O-N 3.4Å; N8-Y10 PolarHBondContact O-N 3.21Å
9	R	36.3	Very low	34.9	Very low	220 Å²	220	146.9 Å²	146.9	83%	0.83	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	14.2	-179.5	-110	-172.5	-175.5	-166.4	1.3	115
10	Y	34.1	Very low	34.8	Very low	215 Å²	215	146.9 Å²	146.9	84%	0.843	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.5	4	178.7	-82.4	-80.9	0	0	0	115.3	N8	N8-Y10 PolarHBondContact O-N 3.21Å
11	F	34	Very low	34.9	Very low	163 Å²	163	148.2 Å²	148.2	72%	0.715	74%	0.744	S	S	*	*	S	Bend	trans	-92.2	-7.2	179.5	-131.5	-93.1	0	0	0	114.8
12	F	34.5	Very low	35.1	Very low	172 Å²	172	141.8 Å²	141.8	75%	0.754	71%	0.713	S	S	*	*	S	Bend	trans	-95.2	-1	-171.2	-90.4	-76.7	0	0	0	116.5
13	T	40.7	Very low	35.1	Very low	124 Å²	124	140 Å²	140	76%	0.761	70%	0.695	S	S	*	*	S	Bend	trans	-96.1	-11.8	177.9	27.3	0	0	0	0	115.1
14	L	37.3	Very low	35.1	Very low	144 Å²	144	140.5 Å²	140.5	75%	0.754	69%	0.694	S	S	*	*	S	Bend	trans	-91.4	-22.4	175.3	-133.8	84.4	0	0	0	113.9
15	L	37.8	Very low	34.9	Very low	86 Å²	86	138 Å²	138	45%	0.45	69%	0.685	S	S	.	*	H	α-helix	trans	-80.6	-18.7	-179.6	-84.1	157.6	0	0	0	113.9	K19	L15-K19 PolarHBondContact O-N 2.63Å
16	G	35.9	Very low	34.4	Very low	45 Å²	45	139 Å²	139	46%	0.464	68%	0.68	S	S	.	*	H	α-helix	trans	-65.2	-39.8	177.8	0	0	0	0	0	113.1	Q20	G16-Q20 PolarHBondContact O-N 3Å
17	S	37.5	Very low	34.2	Very low	90 Å²	90	134.8 Å²	134.8	63%	0.629	67%	0.674	S	S	*	*	H	α-helix	trans	-75.8	-31	-178.6	-175.1	0	0	0	0	112.8
18	I	41.8	Very low	33.9	Very low	99 Å²	99	136 Å²	136	51%	0.508	67%	0.673	S	S	.	*	H	α-helix	trans	-77.3	-36.5	176.3	-62.9	175.6	0	0	0	111	Q20 K21 I22	I18-Q20 VanDerWaalsContact C-N 3.32Å; I18-Q20 PolarHBondContact O-N 3.44Å; I18-K21 PolarHBondContact O-N 3.37Å; I18-I22 HydrophobicContact CG2-CD1 3.84Å; I18-I22 WeakPolarHBondContact O-CG1 3.36Å; I18-I22 PolarHBondContact O-N 3.08Å
19	K	37.4	Very low	33.9	Very low	139 Å²	139	134.3 Å²	134.3	60%	0.604	67%	0.672	S	S	*	*	H	α-helix	trans	-67.4	-30.7	175.6	-95.6	-173.4	172	-176	0	113.5	L15 I22 N23	L15-K19 PolarHBondContact O-N 2.63Å; K19-I22 PolarHBondContact O-N 3.37Å; K19-N23 PolarHBondContact O-N 3.02Å
20	Q	33.2	Very low	33.8	Very low	147 Å²	147	126.8 Å²	126.8	69%	0.687	65%	0.653	S	S	*	*	H	α-helix	trans	-75.2	-26.9	-179.7	-141.6	168.1	4.3	0	0	112.8	G16 I18	G16-Q20 PolarHBondContact O-N 3Å; I18-Q20 VanDerWaalsContact C-N 3.32Å; I18-Q20 PolarHBondContact O-N 3.44Å
21	K	36.5	Very low	34.3	Very low	175 Å²	175	122.7 Å²	122.7	76%	0.761	64%	0.637	S	S	*	*	H	α-helix	trans	-79	-17.2	168.1	-91.5	-173.6	174.1	-176.6	0	114.5	I18	I18-K21 PolarHBondContact O-N 3.37Å
22	I	36.1	Very low	35.3	Very low	107 Å²	107	119.9 Å²	119.9	55%	0.549	63%	0.629	S	S	.	*	H	α-helix	trans	-86.3	-29.3	175.2	-67.5	170.7	0	0	0	111.3	I18 K19	I18-I22 HydrophobicContact CG2-CD1 3.84Å; I18-I22 WeakPolarHBondContact O-CG1 3.36Å; I18-I22 PolarHBondContact O-N 3.08Å; K19-I22 PolarHBondContact O-N 3.37Å
23	N	29.7	Very low	37.6	Very low	82 Å²	82	116.8 Å²	116.8	44%	0.439	62%	0.618	S	S	.	*	H	α-helix	trans	-83.2	-9.8	-177.7	-75.3	-5.1	0	0	0	115.1	K19 H25 H26	K19-N23 PolarHBondContact O-N 3.02Å; N23-H25 VanDerWaalsContact C-N 3.26Å; N23-H25 PolarHBondContact O-N 3.38Å; N23-H26 PolarHBondContact O-CD2 2.94Å
24	E	29.9	Very low	40.1	Very low	171 Å²	171	112.4 Å²	112.4	80%	0.799	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-1.8	171.8	-74.1	-174.5	170.6	0	0	113.5
25	H	28.2	Very low	42.8	Very low	140 Å²	140	107.7 Å²	107.7	65%	0.648	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	45.1	165.2	-74	-57.3	0	0	0	112	N23 G27	N23-H25 VanDerWaalsContact C-N 3.26Å; N23-H25 PolarHBondContact O-N 3.38Å; H25-G27 PolarHBondContact O-N 2.99Å
26	H	26.3	Very low	45.6	Very low	159 Å²	159	108.1 Å²	108.1	74%	0.736	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	93.8	163	-80.9	-52.8	0	0	0	109.9	N23	N23-H26 PolarHBondContact O-CD2 2.94Å
27	G	27.4	Very low	48.4	Very low	67 Å²	67	107.7 Å²	107.7	69%	0.691	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	171.3	-21.8	171.4	0	0	0	0	0	115	H25 S29	H25-G27 PolarHBondContact O-N 2.99Å; G27-S29 VanDerWaalsContact C-N 3.28Å; G27-S29 PolarHBondContact O-N 3.31Å; G27-S29 VanDerWaalsContact O-N 3.07Å
28	F	25.1	Very low	51.3	Low	166 Å²	166	103.5 Å²	103.5	73%	0.728	52%	0.519	S	S	*	.			trans	-88.3	60.5	178.5	-71.8	-86.7	0	0	0	112	S30	F28-S30 WeakPolarHBondContact CD1-OG 3.47Å
29	S	31.7	Very low	53.8	Low	109 Å²	109	103.3 Å²	103.3	76%	0.762	52%	0.516	S	S	*	.			trans	-89.4	28	144.3	178.6	0	0	0	0	109.2	G27 Y31	G27-S29 VanDerWaalsContact C-N 3.28Å; G27-S29 PolarHBondContact O-N 3.31Å; G27-S29 VanDerWaalsContact O-N 3.07Å; S29-Y31 PolarHBondContact O-N 3.1Å
30	S	35.1	Very low	56.7	Low	63 Å²	63	100.7 Å²	100.7	44%	0.441	51%	0.508	S	S	.	.			trans	-54.9	112.9	167.9	55.5	0	0	0	0	106	F28 I32	F28-S30 WeakPolarHBondContact CD1-OG 3.47Å; S30-I32 VanDerWaalsContact C-N 3.27Å; S30-I32 PolarHBondContact O-N 3.14Å
31	Y	44.8	Very low	59.7	Low	129 Å²	129	94.4 Å²	94.4	51%	0.506	48%	0.479	S	S	.	.			trans	-45.9	103.6	160.8	-87.9	-105.6	0	0	0	106	S29 M33 P605 T672	S29-Y31 PolarHBondContact O-N 3.1Å; Y31-M33 VanDerWaalsContact C-N 3.3Å; Y31-M33 PolarHBondContact O-N 2.86Å; Y31-P605 HydrophobicContact CE1-CG 4.36Å; Y31-T672 PolarHBondContact OH-O 3.36Å
32	I	55.3	Low	62.6	Low	104 Å²	104	86.8 Å²	86.8	53%	0.533	45%	0.448	S	S	.	.			trans	-60.3	109.7	169.8	-63.7	178.4	0	0	0	103	S30 W34 E36 I37	S30-I32 VanDerWaalsContact C-N 3.27Å; S30-I32 PolarHBondContact O-N 3.14Å; I32-W34 PolarHBondContact O-N 3.22Å; I32-E36 HydrophobicContact CG2-CB 3.86Å; I32-E36 WeakPolarHBondContact CG2-OE2 3.37Å; I32-I37 HydrophobicContact CB-CG1 4.49Å; I32-I37 HydrophobicContact CG2-CD1 4.35Å; I32-I37 HydrophobicContact CG2-CG1 3.63Å
33	M	81.6	Confident	65.5	Low	106 Å²	106	88.9 Å²	88.9	52%	0.522	45%	0.453	S	S	.	.			trans	-57.8	136.7	-176.9	-78.1	-111	-68.8	0	0	107.1	Y31 Q35 E36 I37	Y31-M33 VanDerWaalsContact C-N 3.3Å; Y31-M33 PolarHBondContact O-N 2.86Å; M33-Q35 PolarHBondContact O-N 3.31Å; M33-E36 HydrophobicContact CB-CG 4.3Å; M33-E36 WeakPolarHBondContact O-CA 3.24Å; M33-E36 WeakPolarHBondContact O-CB 3.28Å; M33-E36 PolarHBondContact O-N 3.33Å; M33-I37 PolarHBondContact O-N 2.85Å
34	W	92.8	Very high	68.8	Low	32 Å²	32	88.7 Å²	88.7	12%	0.121	45%	0.452	C	S	.	.	H	α-helix	trans	-54.5	-26.1	-178.5	67.1	-90.2	0	0	0	111.8	I32 I37 S38 L495 T596 I599 Q600 C603 T604	I32-W34 PolarHBondContact O-N 3.22Å; W34-I37 PolarHBondContact O-N 3.03Å; W34-S38 WeakPolarHBondContact O-CB 3.32Å; W34-S38 PolarHBondContact O-N 3.15Å; W34-L495 HydrophobicContact CE3-CD1 4.48Å; W34-L495 HydrophobicContact CH2-CD1 3.21Å; W34-L495 HydrophobicContact CZ2-CD1 4.01Å; W34-L495 HydrophobicContact CZ3-CD1 3.49Å; W34-L495 VanDerWaalsContact CZ3-CD1 3.49Å; W34-T596 HydrophobicContact CZ3-CG2 3.91Å; W34-I599 HydrophobicContact CB-CG2 4.42Å; W34-I599 WeakPolarHBondContact O-CG2 3.43Å; W34-Q600 HydrophobicContact CD2-CB 4.25Å; W34-Q600 HydrophobicContact CD2-CG 4.08Å; W34-Q600 HydrophobicContact CE3-CB 3.72Å; W34-Q600 HydrophobicContact CE3-CG 3.96Å; W34-Q600 HydrophobicContact CH2-CB 3.93Å; W34-Q600 HydrophobicContact CH2-CG 3.55Å; W34-Q600 HydrophobicContact CZ2-CB 4.46Å; W34-Q600 HydrophobicContact CZ2-CG 3.7Å; W34-Q600 HydrophobicContact CZ3-CB 3.54Å; W34-Q600 HydrophobicContact CZ3-CG 3.7Å; W34-C603 HydrophobicContact CB-CB 3.85Å; W34-T604 HydrophobicContact CB-CG2 4.43Å; W34-T604 HydrophobicContact CD2-CG2 4.06Å; W34-T604 HydrophobicContact CG-CG2 3.67Å
35	Q	95.3	Very high	72	Confident	46 Å²	46	81.1 Å²	81.1	22%	0.215	42%	0.417	C	S	.	.	H	α-helix	trans	-60	-43.9	171.5	-61.3	92.9	-32	0	0	112.5	M33 S38 Q39 L495	M33-Q35 PolarHBondContact O-N 3.31Å; Q35-S38 PolarHBondContact O-N 3.11Å; Q35-Q39 WeakPolarHBondContact O-CB 3.29Å; Q35-Q39 VanDerWaalsContact O-CG 3.25Å; Q35-Q39 WeakPolarHBondContact O-CG 3.44Å; Q35-Q39 PolarHBondContact O-N 3.11Å; Q35-L495 HydrophobicContact CB-CD1 4.13Å; Q35-L495 HydrophobicContact CB-CD2 4.31Å; Q35-L495 HydrophobicContact CG-CD1 3.54Å; Q35-L495 HydrophobicContact CG-CD2 4.05Å; Q35-L495 HydrophobicContact CG-CG 4.46Å
36	E	95.5	Very high	75.3	Confident	95 Å²	95	76.2 Å²	76.2	44%	0.444	40%	0.399	S	S	.	.	H	α-helix	trans	-67.5	-40.8	177.7	-65.6	177.3	175.9	0	0	111.1	I32 M33 S38 N40	I32-E36 HydrophobicContact CG2-CB 3.86Å; I32-E36 WeakPolarHBondContact CG2-OE2 3.37Å; M33-E36 HydrophobicContact CB-CG 4.3Å; M33-E36 WeakPolarHBondContact O-CA 3.24Å; M33-E36 WeakPolarHBondContact O-CB 3.28Å; M33-E36 PolarHBondContact O-N 3.33Å; E36-S38 VanDerWaalsContact C-N 3.35Å; E36-N40 WeakPolarHBondContact O-CB 3.37Å; E36-N40 VanDerWaalsContact O-CG 3.25Å; E36-N40 PolarHBondContact O-N 3.26Å; E36-N40 PolarHBondContact O-ND2 3.26Å; E36-N40 VanDerWaalsContact O-ND2 3.13Å
37	I	95.9	Very high	78.7	Confident	36 Å²	36	70.4 Å²	70.4	19%	0.185	37%	0.373	C	S	.	.	H	α-helix	trans	-58.6	-50.8	173.2	-57	178.8	0	0	0	109.2	I32 M33 W34 N40 L41 F425 I599	I32-I37 HydrophobicContact CB-CG1 4.49Å; I32-I37 HydrophobicContact CG2-CD1 4.35Å; I32-I37 HydrophobicContact CG2-CG1 3.63Å; M33-I37 PolarHBondContact O-N 2.85Å; W34-I37 PolarHBondContact O-N 3.03Å; I37-N40 PolarHBondContact O-N 3Å; I37-L41 HydrophobicContact CG2-CD1 3.96Å; I37-L41 HydrophobicContact CG2-CG 4.44Å; I37-L41 WeakPolarHBondContact O-CG 3.49Å; I37-L41 PolarHBondContact O-N 2.86Å; I37-F425 HydrophobicContact CD1-CE2 4.4Å; I37-F425 HydrophobicContact CG2-CD2 4.3Å; I37-F425 HydrophobicContact CG2-CE2 3.89Å; I37-I599 HydrophobicContact CB-CG2 4.08Å; I37-I599 HydrophobicContact CG2-CD1 4.36Å; I37-I599 HydrophobicContact CG2-CG2 3.97Å
38	S	97	Very high	82	Confident	2 Å²	2	71.4 Å²	71.4	1%	0.014	37%	0.366	C	S	.	.	H	α-helix	trans	-59.3	-50.5	-179.7	-175	0	0	0	0	111.9	W34 Q35 E36 N40 L41 C42 T596	W34-S38 WeakPolarHBondContact O-CB 3.32Å; W34-S38 PolarHBondContact O-N 3.15Å; Q35-S38 PolarHBondContact O-N 3.11Å; E36-S38 VanDerWaalsContact C-N 3.35Å; S38-N40 VanDerWaalsContact C-N 3.28Å; S38-N40 PolarHBondContact O-N 3.39Å; S38-L41 PolarHBondContact O-N 3.31Å; S38-C42 WeakPolarHBondContact O-CB 3.28Å; S38-C42 PolarHBondContact O-N 3.33Å; S38-C42 PolarHBondContact O-SG 2.95Å; S38-T596 WeakPolarHBondContact OG-CA 3.31Å; S38-T596 WeakPolarHBondContact OG-CB 3.3Å; S38-T596 PolarHBondContact OG-OG1 3.46Å
39	Q	95.8	Very high	85.5	Confident	95 Å²	95	64.5 Å²	64.5	44%	0.444	34%	0.336	S	S	.	.	H	α-helix	trans	-60.7	-37.1	179.6	-75.8	174.5	-22	0	0	112.2	Q35 K43	Q35-Q39 WeakPolarHBondContact O-CB 3.29Å; Q35-Q39 VanDerWaalsContact O-CG 3.25Å; Q35-Q39 WeakPolarHBondContact O-CG 3.44Å; Q35-Q39 PolarHBondContact O-N 3.11Å; Q39-K43 WeakPolarHBondContact O-CG 3.48Å
40	N	96.6	Very high	88.6	Confident	83 Å²	83	59.3 Å²	59.3	44%	0.444	30%	0.299	S	S	.	.	H	α-helix	trans	-69.3	-43	176.6	-75.2	-30.2	0	0	0	112.2	E36 I37 S38 K43	E36-N40 WeakPolarHBondContact O-CB 3.37Å; E36-N40 VanDerWaalsContact O-CG 3.25Å; E36-N40 PolarHBondContact O-N 3.26Å; E36-N40 PolarHBondContact O-ND2 3.26Å; E36-N40 VanDerWaalsContact O-ND2 3.13Å; I37-N40 PolarHBondContact O-N 3Å; S38-N40 VanDerWaalsContact C-N 3.28Å; S38-N40 PolarHBondContact O-N 3.39Å; N40-K43 WeakPolarHBondContact O-CB 3.44Å; N40-K43 PolarHBondContact O-N 3.42Å; N40-K43 PolarHBondContact OD1-NZ 3.39Å
41	L	97.9	Very high	91.6	Very high	16 Å²	16	57.3 Å²	57.3	8%	0.084	28%	0.283	C	S	.	.	H	α-helix	trans	-69.3	-37	177.6	-65	177.3	0	0	0	112.3	I37 S38 K43 N44 I416 L417 A420 L595 I599	I37-L41 HydrophobicContact CG2-CD1 3.96Å; I37-L41 HydrophobicContact CG2-CG 4.44Å; I37-L41 WeakPolarHBondContact O-CG 3.49Å; I37-L41 PolarHBondContact O-N 2.86Å; S38-L41 PolarHBondContact O-N 3.31Å; L41-K43 PolarHBondContact O-N 2.93Å; L41-K43 VanDerWaalsContact O-N 3.16Å; L41-N44 WeakPolarHBondContact O-CB 3.25Å; L41-N44 PolarHBondContact O-N 3.17Å; L41-I416 HydrophobicContact CB-CG2 3.96Å; L41-I416 HydrophobicContact CD2-CG2 4.07Å; L41-L417 HydrophobicContact CD1-CD2 4.25Å; L41-A420 HydrophobicContact CD2-CB 3.59Å; L41-L595 HydrophobicContact CB-CD2 3.96Å; L41-I599 HydrophobicContact CD1-CD1 3.62Å; L41-I599 HydrophobicContact CD1-CG1 4.01Å
42	C	97.6	Very high	94	Very high	15 Å²	15	55.6 Å²	55.6	10%	0.101	28%	0.28	C	S	.	.	H	α-helix	trans	-62.9	-20	178.2	-74.5	0	0	0	0	114	S38 N44 V45 R592	S38-C42 WeakPolarHBondContact O-CB 3.28Å; S38-C42 PolarHBondContact O-N 3.33Å; S38-C42 PolarHBondContact O-SG 2.95Å; C42-N44 PolarHBondContact O-N 2.99Å; C42-V45 PolarHBondContact O-N 3.07Å; C42-R592 HydrophobicContact CB-CB 4.45Å; C42-R592 HydrophobicContact CB-CG 4Å
43	K	96.6	Very high	96	Very high	151 Å²	151	51.5 Å²	51.5	66%	0.657	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-22.4	173	-68.5	165.2	-171.2	167.7	0	112.6	Q39 N40 L41 V45	Q39-K43 WeakPolarHBondContact O-CG 3.48Å; N40-K43 WeakPolarHBondContact O-CB 3.44Å; N40-K43 PolarHBondContact O-N 3.42Å; N40-K43 PolarHBondContact OD1-NZ 3.39Å; L41-K43 PolarHBondContact O-N 2.93Å; L41-K43 VanDerWaalsContact O-N 3.16Å; K43-V45 VanDerWaalsContact C-N 3.31Å
44	N	97.8	Very high	96.6	Very high	77 Å²	77	46.5 Å²	46.5	41%	0.412	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-2.1	-177.2	-60.4	-30	0	0	0	113.2	L41 C42 S46 R415 I416	L41-N44 WeakPolarHBondContact O-CB 3.25Å; L41-N44 PolarHBondContact O-N 3.17Å; C42-N44 PolarHBondContact O-N 2.99Å; N44-S46 PolarHBondContact O-N 2.96Å; N44-R415 PolarHBondContact O-NH2 3.36Å; N44-I416 HydrophobicContact CB-CD1 4.25Å; N44-I416 HydrophobicContact CB-CG1 4Å; N44-I416 HydrophobicContact CB-CG2 4.42Å
45	V	98.1	Very high	96.6	Very high	12 Å²	12	46 Å²	46	7%	0.073	23%	0.232	C	C	.	.			trans	-67	114.7	175.8	177	0	0	0	0	109.6	C42 K43 E412 I416 R588 T591 R592	C42-V45 PolarHBondContact O-N 3.07Å; K43-V45 VanDerWaalsContact C-N 3.31Å; V45-E412 VanDerWaalsContact CA-OE1 3.32Å; V45-E412 WeakPolarHBondContact CA-OE1 3.04Å; V45-I416 HydrophobicContact CB-CD1 4.47Å; V45-I416 HydrophobicContact CG2-CD1 3.69Å; V45-R588 HydrophobicContact CG1-CB 4.02Å; V45-R588 HydrophobicContact CG1-CG 4.07Å; V45-T591 HydrophobicContact CB-CG2 4.43Å; V45-T591 HydrophobicContact CG1-CG2 3.89Å; V45-T591 HydrophobicContact CG2-CG2 3.67Å; V45-R592 HydrophobicContact CB-CG 4.28Å; V45-R592 HydrophobicContact CG2-CG 3.8Å
46	S	97.7	Very high	96.5	Very high	37 Å²	37	48.4 Å²	48.4	26%	0.259	24%	0.242	S	C	.	.			trans	-105.4	130.5	-174.2	175	0	0	0	0	111.8	N44 T48 F49 L50 E412	N44-S46 PolarHBondContact O-N 2.96Å; S46-T48 PolarHBondContact OG-N 2.99Å; S46-F49 PolarHBondContact OG-N 3.33Å; S46-F49 VanDerWaalsContact OG-N 3.17Å; S46-L50 VanDerWaalsContact O-CG 3.32Å; S46-L50 WeakPolarHBondContact O-CG 3.3Å; S46-L50 PolarHBondContact O-N 2.83Å; S46-E412 PolarHBondContact N-OE1 3.24Å
47	D	96.2	Very high	96.4	Very high	38 Å²	38	44.2 Å²	44.2	20%	0.203	22%	0.223	C	C	.	.	H	α-helix	trans	-68.4	-41.1	172.8	70.9	-29.7	0	0	0	112.3	F49 L50 L51 G582 H583 R588	D47-F49 VanDerWaalsContact C-N 3.35Å; D47-F49 PolarHBondContact O-N 2.91Å; D47-L50 PolarHBondContact O-N 3.01Å; D47-L51 PolarHBondContact O-N 3.16Å; D47-G582 WeakPolarHBondContact OD2-CA 3.11Å; D47-H583 HydrophobicContact CB-CB 4.36Å; D47-H583 WeakPolarHBondContact CB-O 3.4Å; D47-H583 IonicContact OD2-CD2 3.66Å; D47-H583 PolarHBondContact OD2-N 3.21Å; D47-R588 IonicContact OD2-NH1 2.72Å
48	T	97.4	Very high	96.2	Very high	88 Å²	88	42.6 Å²	42.6	54%	0.54	21%	0.214	S	C	.	.	H	α-helix	trans	-65.7	-40.7	-178.1	-53.1	0	0	0	0	110.3	S46 L51 E52	S46-T48 PolarHBondContact OG-N 2.99Å; T48-L51 PolarHBondContact O-N 2.88Å; T48-E52 WeakPolarHBondContact O-CB 3.35Å; T48-E52 PolarHBondContact O-N 3.47Å
49	F	98.4	Very high	95.7	Very high	20 Å²	20	42.7 Å²	42.7	9%	0.088	22%	0.216	C	C	.	.	H	α-helix	trans	-60.4	-49.7	173.8	180	-84	0	0	0	111.6	S46 D47 L51 E52 Y53 W84 Q411 E412 R415	S46-F49 PolarHBondContact OG-N 3.33Å; S46-F49 VanDerWaalsContact OG-N 3.17Å; D47-F49 VanDerWaalsContact C-N 3.35Å; D47-F49 PolarHBondContact O-N 2.91Å; F49-L51 VanDerWaalsContact C-N 3.31Å; F49-L51 PolarHBondContact O-N 2.9Å; F49-E52 PolarHBondContact O-N 3.31Å; F49-Y53 HydrophobicContact CD1-CD2 4.11Å; F49-Y53 HydrophobicContact CD1-CG 4.42Å; F49-Y53 AromaticContact CD2-CD2 3.89Å; F49-Y53 HydrophobicContact CD2-CD2 3.89Å; F49-Y53 AromaticContact CD2-CE2 3.71Å; F49-Y53 HydrophobicContact CD2-CE2 3.71Å; F49-Y53 HydrophobicContact CE1-CD1 4.22Å; F49-Y53 AromaticContact CE1-CD2 3.81Å; F49-Y53 HydrophobicContact CE1-CD2 3.81Å; F49-Y53 HydrophobicContact CE1-CE2 4.19Å; F49-Y53 AromaticContact CE1-CG 3.86Å; F49-Y53 HydrophobicContact CE1-CG 3.86Å; F49-Y53 AromaticContact CE2-CD2 3.6Å; F49-Y53 HydrophobicContact CE2-CD2 3.6Å; F49-Y53 HydrophobicContact CE2-CE1 4.24Å; F49-Y53 AromaticContact CE2-CE2 3.16Å; F49-Y53 HydrophobicContact CE2-CE2 3.16Å; F49-Y53 HydrophobicContact CE2-CG 4.32Å; F49-Y53 AromaticContact CE2-CZ 3.55Å; F49-Y53 HydrophobicContact CG-CD2 4.15Å; F49-Y53 HydrophobicContact CG-CE2 4.43Å; F49-Y53 AromaticContact CZ-CD1 3.92Å; F49-Y53 HydrophobicContact CZ-CD1 3.92Å; F49-Y53 AromaticContact CZ-CD2 3.57Å; F49-Y53 HydrophobicContact CZ-CD2 3.57Å; F49-Y53 AromaticContact CZ-CE1 3.79Å; F49-Y53 HydrophobicContact CZ-CE1 3.79Å; F49-Y53 AromaticContact CZ-CE2 3.46Å; F49-Y53 HydrophobicContact CZ-CE2 3.46Å; F49-Y53 VanDerWaalsContact CZ-CE2 3.46Å; F49-Y53 AromaticContact CZ-CG 3.83Å; F49-Y53 HydrophobicContact CZ-CG 3.83Å; F49-Y53 AromaticContact CZ-CZ 3.59Å; F49-Y53 WeakPolarHBondContact O-CB 3.32Å; F49-Y53 WeakPolarHBondContact O-CD2 3.31Å; F49-Y53 PolarHBondContact O-N 2.8Å; F49-W84 HydrophobicContact CE2-CH2 4.24Å; F49-W84 AromaticContact CE2-CZ2 3.8Å; F49-W84 HydrophobicContact CE2-CZ2 3.8Å; F49-W84 AromaticContact CZ-CH2 3.75Å; F49-W84 HydrophobicContact CZ-CH2 3.75Å; F49-W84 AromaticContact CZ-CZ2 3.8Å; F49-W84 HydrophobicContact CZ-CZ2 3.8Å; F49-Q411 HydrophobicContact CE1-CB 4.05Å; F49-Q411 HydrophobicContact CZ-CB 4.09Å; F49-E412 HydrophobicContact CD1-CB 3.72Å; F49-E412 HydrophobicContact CD1-CG 4.12Å; F49-E412 WeakPolarHBondContact CD1-OE2 3.24Å; F49-E412 VanDerWaalsContact CE1-CA 3.44Å; F49-E412 HydrophobicContact CE1-CB 3.64Å; F49-E412 HydrophobicContact CE1-CG 4.45Å; F49-E412 WeakPolarHBondContact CE1-OE2 3.36Å; F49-E412 WeakPolarHBondContact CG-OE2 3.46Å; F49-R415 HydrophobicContact CE2-CB 4.42Å; F49-R415 HydrophobicContact CZ-CB 4.36Å
50	L	98.1	Very high	95	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-43.3	-178.4	-69.7	168.1	0	0	0	111.1	S46 D47 M54 V408 E412 L584 H587 R588	S46-L50 VanDerWaalsContact O-CG 3.32Å; S46-L50 WeakPolarHBondContact O-CG 3.3Å; S46-L50 PolarHBondContact O-N 2.83Å; D47-L50 PolarHBondContact O-N 3.01Å; L50-M54 WeakPolarHBondContact O-CB 3.43Å; L50-M54 PolarHBondContact O-N 2.69Å; L50-V408 HydrophobicContact CD2-CB 4.08Å; L50-V408 HydrophobicContact CD2-CG2 4.01Å; L50-E412 HydrophobicContact CD2-CB 3.82Å; L50-E412 HydrophobicContact CD2-CG 4.26Å; L50-L584 HydrophobicContact CB-CD1 3.99Å; L50-H587 HydrophobicContact CD1-CB 4.04Å; L50-R588 HydrophobicContact CD1-CB 4.4Å; L50-R588 HydrophobicContact CD1-CG 3.54Å
51	L	96.2	Very high	94.4	Very high	21 Å²	21	38.9 Å²	38.9	11%	0.11	20%	0.203	C	C	.	.	H	α-helix	trans	-65.8	-47	177.5	-175.1	65.9	0	0	0	112.1	D47 T48 F49 Y53 M54 H55 E572 H583 L584	D47-L51 PolarHBondContact O-N 3.16Å; T48-L51 PolarHBondContact O-N 2.88Å; F49-L51 VanDerWaalsContact C-N 3.31Å; F49-L51 PolarHBondContact O-N 2.9Å; L51-Y53 VanDerWaalsContact C-N 3.32Å; L51-Y53 PolarHBondContact O-N 3.49Å; L51-M54 WeakPolarHBondContact O-CB 3.37Å; L51-M54 PolarHBondContact O-N 3.11Å; L51-H55 PolarHBondContact O-CD2 3.46Å; L51-H55 VanDerWaalsContact O-CD2 3.24Å; L51-H55 PolarHBondContact O-N 3.49Å; L51-H55 VanDerWaalsContact O-N 3.08Å; L51-E572 HydrophobicContact CD1-CG 4.34Å; L51-H583 HydrophobicContact CB-CB 4.45Å; L51-H583 HydrophobicContact CD2-CB 4.32Å; L51-L584 HydrophobicContact CB-CD1 4.48Å
52	E	96.3	Very high	94	Very high	94 Å²	94	39 Å²	39	44%	0.439	20%	0.204	S	C	.	.	H	α-helix	trans	-58.4	-45.3	178.6	-173.8	-169.4	151.7	0	0	111.2	T48 F49 M54 H55 K56	T48-E52 WeakPolarHBondContact O-CB 3.35Å; T48-E52 PolarHBondContact O-N 3.47Å; F49-E52 PolarHBondContact O-N 3.31Å; E52-M54 VanDerWaalsContact C-N 3.33Å; E52-M54 PolarHBondContact O-N 2.87Å; E52-H55 PolarHBondContact O-N 3.24Å; E52-K56 WeakPolarHBondContact O-CB 3.43Å; E52-K56 PolarHBondContact O-N 3.14Å
53	Y	96.6	Very high	93.8	Very high	18 Å²	18	38.4 Å²	38.4	7%	0.071	20%	0.2	C	C	.	.	H	α-helix	trans	-70.6	-30.8	-179.9	-85.3	-111.4	0	0	0	112.2	F49 L51 K56 F57 F76 W84 Q411	F49-Y53 HydrophobicContact CD1-CD2 4.11Å; F49-Y53 HydrophobicContact CD1-CG 4.42Å; F49-Y53 AromaticContact CD2-CD2 3.89Å; F49-Y53 HydrophobicContact CD2-CD2 3.89Å; F49-Y53 AromaticContact CD2-CE2 3.71Å; F49-Y53 HydrophobicContact CD2-CE2 3.71Å; F49-Y53 HydrophobicContact CE1-CD1 4.22Å; F49-Y53 AromaticContact CE1-CD2 3.81Å; F49-Y53 HydrophobicContact CE1-CD2 3.81Å; F49-Y53 HydrophobicContact CE1-CE2 4.19Å; F49-Y53 AromaticContact CE1-CG 3.86Å; F49-Y53 HydrophobicContact CE1-CG 3.86Å; F49-Y53 AromaticContact CE2-CD2 3.6Å; F49-Y53 HydrophobicContact CE2-CD2 3.6Å; F49-Y53 HydrophobicContact CE2-CE1 4.24Å; F49-Y53 AromaticContact CE2-CE2 3.16Å; F49-Y53 HydrophobicContact CE2-CE2 3.16Å; F49-Y53 HydrophobicContact CE2-CG 4.32Å; F49-Y53 AromaticContact CE2-CZ 3.55Å; F49-Y53 HydrophobicContact CG-CD2 4.15Å; F49-Y53 HydrophobicContact CG-CE2 4.43Å; F49-Y53 AromaticContact CZ-CD1 3.92Å; F49-Y53 HydrophobicContact CZ-CD1 3.92Å; F49-Y53 AromaticContact CZ-CD2 3.57Å; F49-Y53 HydrophobicContact CZ-CD2 3.57Å; F49-Y53 AromaticContact CZ-CE1 3.79Å; F49-Y53 HydrophobicContact CZ-CE1 3.79Å; F49-Y53 AromaticContact CZ-CE2 3.46Å; F49-Y53 HydrophobicContact CZ-CE2 3.46Å; F49-Y53 VanDerWaalsContact CZ-CE2 3.46Å; F49-Y53 AromaticContact CZ-CG 3.83Å; F49-Y53 HydrophobicContact CZ-CG 3.83Å; F49-Y53 AromaticContact CZ-CZ 3.59Å; F49-Y53 WeakPolarHBondContact O-CB 3.32Å; F49-Y53 WeakPolarHBondContact O-CD2 3.31Å; F49-Y53 PolarHBondContact O-N 2.8Å; L51-Y53 VanDerWaalsContact C-N 3.32Å; L51-Y53 PolarHBondContact O-N 3.49Å; Y53-K56 PolarHBondContact O-N 3.26Å; Y53-F57 AromaticContact CD1-CE2 3.65Å; Y53-F57 HydrophobicContact CD1-CE2 3.65Å; Y53-F57 AromaticContact CD1-CZ 3.98Å; Y53-F57 HydrophobicContact CD1-CZ 3.98Å; Y53-F57 HydrophobicContact CE1-CZ 4.49Å; Y53-F57 HydrophobicContact CG-CE2 4.43Å; Y53-F57 WeakPolarHBondContact O-CD2 3.17Å; Y53-F57 PolarHBondContact O-N 2.7Å; Y53-F76 HydrophobicContact CD1-CE1 4.19Å; Y53-F76 AromaticContact CE1-CE1 3.54Å; Y53-F76 HydrophobicContact CE1-CE1 3.54Å; Y53-F76 AromaticContact CE1-CZ 3.85Å; Y53-F76 HydrophobicContact CE1-CZ 3.85Å; Y53-F76 AromaticContact CZ-CZ 3.95Å; Y53-W84 AromaticContact CE1-CH2 3.84Å; Y53-W84 HydrophobicContact CE1-CH2 3.84Å; Y53-W84 HydrophobicContact CE1-CZ2 4.09Å; Y53-W84 AromaticContact CZ-CZ2 3.77Å; Y53-W84 VanDerWaalsContact OH-CZ2 3.24Å; Y53-W84 WeakPolarHBondContact OH-CZ2 3.42Å; Y53-Q411 HydrophobicContact CD1-CB 3.85Å; Y53-Q411 HydrophobicContact CD1-CG 3.88Å; Y53-Q411 HydrophobicContact CE1-CB 4.16Å; Y53-Q411 HydrophobicContact CE1-CG 4.19Å
54	M	95.2	Very high	93.6	Very high	1 Å²	1	33 Å²	33	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-59.7	-48.7	171	-174.3	63.8	72.4	0	0	110.4	L50 L51 E52 K56 C58 A400 V408 I568 V571	L50-M54 WeakPolarHBondContact O-CB 3.43Å; L50-M54 PolarHBondContact O-N 2.69Å; L51-M54 WeakPolarHBondContact O-CB 3.37Å; L51-M54 PolarHBondContact O-N 3.11Å; E52-M54 VanDerWaalsContact C-N 3.33Å; E52-M54 PolarHBondContact O-N 2.87Å; M54-K56 VanDerWaalsContact C-N 3.3Å; M54-K56 PolarHBondContact O-N 3.03Å; M54-C58 VanDerWaalsContact O-CB 3.28Å; M54-C58 WeakPolarHBondContact O-CB 3.32Å; M54-C58 PolarHBondContact O-N 3.46Å; M54-C58 PolarHBondContact O-SG 3.24Å; M54-C58 VanDerWaalsContact O-SG 3.4Å; M54-C58 HydrophobicContact SD-CB 4.34Å; M54-A400 HydrophobicContact SD-CB 4.33Å; M54-V408 HydrophobicContact CB-CG1 4.01Å; M54-V408 HydrophobicContact CE-CG1 4.11Å; M54-V408 HydrophobicContact CE-CG2 3.95Å; M54-V408 VanDerWaalsContact N-CG1 3.32Å; M54-V408 HydrophobicContact SD-CG1 4.44Å; M54-I568 HydrophobicContact CG-CD1 4.41Å; M54-I568 HydrophobicContact CG-CG1 4.07Å; M54-I568 HydrophobicContact CG-CG2 4.02Å; M54-V571 HydrophobicContact CE-CG1 4.25Å
55	H	92.9	Very high	93.5	Very high	20 Å²	20	29.4 Å²	29.4	9%	0.093	16%	0.162	C	C	.	.	H	α-helix	trans	-62.8	-35.4	174.1	-74.4	-74.6	0	0	0	113.4	L51 E52 G59 S135 I568	L51-H55 PolarHBondContact O-CD2 3.46Å; L51-H55 VanDerWaalsContact O-CD2 3.24Å; L51-H55 PolarHBondContact O-N 3.49Å; L51-H55 VanDerWaalsContact O-N 3.08Å; E52-H55 PolarHBondContact O-N 3.24Å; H55-G59 VanDerWaalsContact O-CA 3.23Å; H55-G59 WeakPolarHBondContact O-CA 3.48Å; H55-G59 PolarHBondContact O-N 2.81Å; H55-S135 PolarHBondContact ND1-OG 3.19Å; H55-I568 VanDerWaalsContact CA-CD1 3.49Å; H55-I568 HydrophobicContact CB-CD1 4.25Å; H55-I568 WeakPolarHBondContact ND1-CD1 3.47Å
56	K	92.5	Very high	93.1	Very high	98 Å²	98	30 Å²	30	43%	0.426	17%	0.17	S	C	.	.	H	α-helix	trans	-69.1	-41.8	-178.4	-159.4	162.8	-164.9	165	0	113.2	E52 Y53 M54 F76	E52-K56 WeakPolarHBondContact O-CB 3.43Å; E52-K56 PolarHBondContact O-N 3.14Å; Y53-K56 PolarHBondContact O-N 3.26Å; M54-K56 VanDerWaalsContact C-N 3.3Å; M54-K56 PolarHBondContact O-N 3.03Å; K56-F76 HydrophobicContact CD-CD1 4.42Å; K56-F76 HydrophobicContact CD-CE1 3.66Å; K56-F76 HydrophobicContact CD-CE2 4Å; K56-F76 HydrophobicContact CD-CZ 3.44Å; K56-F76 VanDerWaalsContact CD-CZ 3.44Å; K56-F76 HydrophobicContact CG-CE1 4.39Å
57	F	93.1	Very high	92.8	Very high	7 Å²	7	29.5 Å²	29.5	3%	0.031	17%	0.167	C	C	.	.	H	α-helix	trans	-83.7	-41	179.4	-65	-52	0	0	0	112.6	Y53 H63 I73 F76 I77 M407 V408 Q411	Y53-F57 AromaticContact CD1-CE2 3.65Å; Y53-F57 HydrophobicContact CD1-CE2 3.65Å; Y53-F57 AromaticContact CD1-CZ 3.98Å; Y53-F57 HydrophobicContact CD1-CZ 3.98Å; Y53-F57 HydrophobicContact CE1-CZ 4.49Å; Y53-F57 HydrophobicContact CG-CE2 4.43Å; Y53-F57 WeakPolarHBondContact O-CD2 3.17Å; Y53-F57 PolarHBondContact O-N 2.7Å; F57-H63 PolarHBondContact O-CE1 2.91Å; F57-H63 PolarHBondContact O-ND1 3.31Å; F57-I73 HydrophobicContact CD1-CD1 4.37Å; F57-I73 HydrophobicContact CD1-CG1 4.16Å; F57-I73 HydrophobicContact CD1-CG2 3.87Å; F57-I73 HydrophobicContact CE1-CG2 3.9Å; F57-F76 AromaticContact CE1-CD1 3.7Å; F57-F76 HydrophobicContact CE1-CD1 3.7Å; F57-F76 HydrophobicContact CE1-CE1 4.15Å; F57-F76 AromaticContact CZ-CD1 3.99Å; F57-F76 HydrophobicContact CZ-CD1 3.99Å; F57-F76 HydrophobicContact CZ-CE1 4.05Å; F57-I77 HydrophobicContact CE1-CD1 4.38Å; F57-I77 HydrophobicContact CE1-CG1 4.07Å; F57-I77 HydrophobicContact CZ-CG1 4.06Å; F57-M407 HydrophobicContact CD2-CB 4.32Å; F57-M407 HydrophobicContact CD2-CG 3.62Å; F57-M407 HydrophobicContact CE1-CG 4.42Å; F57-M407 HydrophobicContact CE2-CG 3.5Å; F57-M407 VanDerWaalsContact CE2-CG 3.5Å; F57-M407 HydrophobicContact CE2-SD 4.47Å; F57-M407 HydrophobicContact CG-CG 4.14Å; F57-M407 HydrophobicContact CZ-CG 3.94Å; F57-M407 HydrophobicContact CZ-SD 4.48Å; F57-V408 HydrophobicContact CD2-CG1 4.35Å; F57-Q411 HydrophobicContact CE2-CG 3.55Å; F57-Q411 HydrophobicContact CZ-CG 3.65Å
58	C	92.4	Very high	92.6	Very high	1 Å²	1	35 Å²	35	1%	0.007	19%	0.191	C	C	.	.	H	α-helix	trans	-108.5	-10.2	-166.2	-39.8	0	0	0	0	113	M54 G60 Q398 A400 G404 I568	M54-C58 VanDerWaalsContact O-CB 3.28Å; M54-C58 WeakPolarHBondContact O-CB 3.32Å; M54-C58 PolarHBondContact O-N 3.46Å; M54-C58 PolarHBondContact O-SG 3.24Å; M54-C58 VanDerWaalsContact O-SG 3.4Å; M54-C58 HydrophobicContact SD-CB 4.34Å; C58-G60 VanDerWaalsContact C-N 3.32Å; C58-Q398 WeakPolarHBondContact O-CB 3.48Å; C58-Q398 VanDerWaalsContact O-CD 3.3Å; C58-Q398 WeakPolarHBondContact O-CG 3.39Å; C58-A400 HydrophobicContact CB-CB 4.01Å; C58-G404 VanDerWaalsContact SG-CA 3.54Å; C58-I568 HydrophobicContact CB-CD1 4.12Å; C58-I568 HydrophobicContact CB-CG1 3.87Å
59	G	86.9	Confident	92.2	Very high	5 Å²	5	31.3 Å²	31.3	5%	0.052	17%	0.171	C	C	.	.	S	Bend	trans	-86.4	-5.7	175.9	0	0	0	0	0	112.9	H55 K134	H55-G59 VanDerWaalsContact O-CA 3.23Å; H55-G59 WeakPolarHBondContact O-CA 3.48Å; H55-G59 PolarHBondContact O-N 2.81Å; G59-K134 VanDerWaalsContact O-CA 3.28Å; G59-K134 WeakPolarHBondContact O-CA 3.45Å; G59-K134 WeakPolarHBondContact O-CG 3.4Å
60	G	80	Confident	92.1	Very high	18 Å²	18	30.4 Å²	30.4	19%	0.186	17%	0.167	C	C	.	.	S	Bend	trans	-88.9	-159.1	-172.9	0	0	0	0	0	115.1	C58 Q398	C58-G60 VanDerWaalsContact C-N 3.32Å; G60-Q398 PolarHBondContact O-NE2 3.18Å
61	N	84.6	Confident	91.9	Very high	80 Å²	80	32.8 Å²	32.8	43%	0.428	18%	0.176	S	C	.	.	S	Bend	trans	-65	161.1	168.5	-75.9	-53.4	0	0	0	110.6	K150	N61-K150 PolarHBondContact OD1-NZ 3.35Å
62	P	89	Confident	91.9	Very high	17 Å²	17	36.7 Å²	36.7	11%	0.11	19%	0.194	C	C	.	.			trans	-56.2	143.1	168.5	-23.5	34.7	0	0	0	112.6	V131 L152 V397	P62-V131 HydrophobicContact CG-CB 4.24Å; P62-V131 HydrophobicContact CG-CG1 3.84Å; P62-V131 HydrophobicContact CG-CG2 3.55Å; P62-L152 HydrophobicContact CB-CD1 3.84Å; P62-L152 HydrophobicContact CB-CD2 4.3Å; P62-L152 HydrophobicContact CG-CD1 3.58Å; P62-L152 HydrophobicContact CG-CD2 4.08Å; P62-L152 HydrophobicContact CG-CG 4.08Å; P62-V397 WeakPolarHBondContact CA-O 3.31Å
63	H	93.2	Very high	91.8	Very high	4 Å²	4	33 Å²	33	2%	0.019	18%	0.177	C	C	.	.			trans	-135.3	53.5	-174.7	54.8	-99.7	0	0	0	112.4	F57 N70 I73 H393 D394 S395 V397 Q398	F57-H63 PolarHBondContact O-CE1 2.91Å; F57-H63 PolarHBondContact O-ND1 3.31Å; H63-N70 HydrophobicContact CB-CB 4.21Å; H63-N70 PolarHBondContact O-OD1 3.46Å; H63-I73 HydrophobicContact CB-CD1 3.64Å; H63-I73 WeakPolarHBondContact ND1-CD1 3.3Å; H63-H393 PolarHBondContact CD2-O 2.91Å; H63-D394 WeakPolarHBondContact O-CA 3.39Å; H63-S395 PolarHBondContact CD2-OG 3.06Å; H63-S395 PolarHBondContact CE1-OG 3.37Å; H63-S395 VanDerWaalsContact CE1-OG 3.27Å; H63-S395 VanDerWaalsContact NE2-CB 3.28Å; H63-S395 WeakPolarHBondContact NE2-CB 3.48Å; H63-S395 PolarHBondContact NE2-OG 2.96Å; H63-S395 PolarHBondContact O-N 2.95Å; H63-V397 PolarHBondContact N-O 2.87Å; H63-Q398 PolarHBondContact CE1-O 2.9Å
64	C	93.7	Very high	91.9	Very high	36 Å²	36	32.1 Å²	32.1	24%	0.243	17%	0.174	C	C	.	.			trans	-67	154.7	170.3	61.7	0	0	0	0	111.7	G66 S67 N70 S395 F441	C64-G66 PolarHBondContact O-N 3.36Å; C64-S67 PolarHBondContact N-OG 3.44Å; C64-S67 VanDerWaalsContact O-CB 3.23Å; C64-S67 WeakPolarHBondContact O-CB 3.46Å; C64-S67 PolarHBondContact O-N 2.88Å; C64-S67 PolarHBondContact O-OG 3.14Å; C64-N70 VanDerWaalsContact O-CB 3.29Å; C64-N70 WeakPolarHBondContact O-CB 3.29Å; C64-S395 WeakPolarHBondContact CA-O 3.24Å; C64-S395 WeakPolarHBondContact CB-O 3.33Å; C64-S395 PolarHBondContact N-O 3.28Å; C64-F441 HydrophobicContact CB-CE2 4.18Å
65	S	94.6	Very high	92	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.021	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	135	-179.7	-165.6	0	0	0	0	112.2	S67 L365 D437	S65-S67 VanDerWaalsContact C-N 3.31Å; S65-S67 PolarHBondContact O-N 3.4Å; S65-L365 WeakPolarHBondContact OG-CD1 3.44Å; S65-L365 WeakPolarHBondContact OG-CG 3.5Å; S65-D437 WeakPolarHBondContact CB-OD1 3.14Å; S65-D437 PolarHBondContact OG-OD1 3.08Å
66	G	90.9	Very high	92.2	Very high	24 Å²	24	35.8 Å²	35.8	25%	0.247	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	-5.2	-175.9	0	0	0	0	0	116.3	C64 Y71	C64-G66 PolarHBondContact O-N 3.36Å; G66-Y71 WeakPolarHBondContact O-CE2 3.32Å
67	S	91.6	Very high	92.5	Very high	27 Å²	27	31.1 Å²	31.1	19%	0.189	17%	0.172	C	C	.	.	S	Bend	trans	-82.9	157.5	174.7	71.6	0	0	0	0	112.9	C64 S65 G69 N70 Y71	C64-S67 PolarHBondContact N-OG 3.44Å; C64-S67 VanDerWaalsContact O-CB 3.23Å; C64-S67 WeakPolarHBondContact O-CB 3.46Å; C64-S67 PolarHBondContact O-N 2.88Å; C64-S67 PolarHBondContact O-OG 3.14Å; S65-S67 VanDerWaalsContact C-N 3.31Å; S65-S67 PolarHBondContact O-N 3.4Å; S67-G69 VanDerWaalsContact C-N 3.31Å; S67-G69 PolarHBondContact O-N 3.47Å; S67-N70 PolarHBondContact O-N 3Å; S67-N70 PolarHBondContact OG-N 3.16Å; S67-Y71 WeakPolarHBondContact O-CD2 3.42Å; S67-Y71 PolarHBondContact O-N 2.9Å
68	E	90.7	Very high	92.8	Very high	152 Å²	152	33 Å²	33	71%	0.71	18%	0.181	S	C	*	.	H	α-helix	trans	-55.6	-44.4	174.9	-173.1	172.4	-158.8	0	0	112.3	N70 Y71 E72	E68-N70 VanDerWaalsContact C-N 3.28Å; E68-N70 PolarHBondContact O-N 3.27Å; E68-Y71 PolarHBondContact O-N 3.28Å; E68-Y71 VanDerWaalsContact O-N 3.14Å; E68-E72 WeakPolarHBondContact O-CG 3.38Å; E68-E72 PolarHBondContact O-N 3.28Å
69	G	90	Very high	93.1	Very high	12 Å²	12	40.2 Å²	40.2	12%	0.124	21%	0.208	C	C	.	.	H	α-helix	trans	-59.3	-38	178.8	0	0	0	0	0	112.9	S67 E72 I73	S67-G69 VanDerWaalsContact C-N 3.31Å; S67-G69 PolarHBondContact O-N 3.47Å; G69-E72 PolarHBondContact O-N 3.42Å; G69-I73 WeakPolarHBondContact O-CG1 3.45Å; G69-I73 PolarHBondContact O-N 2.9Å; G69-I73 VanDerWaalsContact O-N 3.08Å
70	N	95.2	Very high	93.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.6	-41.2	176.7	-162.6	56.2	0	0	0	112.3	H63 C64 S67 E68 E72 I73 A74 H393 D394 D437	H63-N70 HydrophobicContact CB-CB 4.21Å; H63-N70 PolarHBondContact O-OD1 3.46Å; C64-N70 VanDerWaalsContact O-CB 3.29Å; C64-N70 WeakPolarHBondContact O-CB 3.29Å; S67-N70 PolarHBondContact O-N 3Å; S67-N70 PolarHBondContact OG-N 3.16Å; E68-N70 VanDerWaalsContact C-N 3.28Å; E68-N70 PolarHBondContact O-N 3.27Å; N70-E72 VanDerWaalsContact C-N 3.33Å; N70-E72 PolarHBondContact O-N 3.34Å; N70-I73 PolarHBondContact O-N 3.38Å; N70-A74 PolarHBondContact O-N 2.79Å; N70-H393 PolarHBondContact ND2-NE2 2.83Å; N70-H393 PolarHBondContact OD1-CD2 2.82Å; N70-D394 VanDerWaalsContact OD1-CA 3.24Å; N70-D394 WeakPolarHBondContact OD1-CA 3.47Å; N70-D437 PolarHBondContact ND2-OD1 2.85Å; N70-D437 PolarHBondContact ND2-OD2 3.06Å
71	Y	95.4	Very high	94.5	Very high	50 Å²	50	39.3 Å²	39.3	20%	0.196	20%	0.198	C	C	.	.	H	α-helix	trans	-64.5	-36.9	173.6	-63.9	-71	0	0	0	112.5	G66 S67 E68 I73 A74 N75 K364 C366	G66-Y71 WeakPolarHBondContact O-CE2 3.32Å; S67-Y71 WeakPolarHBondContact O-CD2 3.42Å; S67-Y71 PolarHBondContact O-N 2.9Å; E68-Y71 PolarHBondContact O-N 3.28Å; E68-Y71 VanDerWaalsContact O-N 3.14Å; Y71-I73 VanDerWaalsContact C-N 3.33Å; Y71-A74 PolarHBondContact O-N 3.12Å; Y71-N75 WeakPolarHBondContact O-CB 3.32Å; Y71-N75 PolarHBondContact O-N 3.48Å; Y71-N75 PolarHBondContact O-ND2 3.46Å; Y71-N75 PolarHBondContact O-OD1 2.74Å; Y71-K364 HydrophobicContact CE1-CB 4.13Å; Y71-K364 HydrophobicContact CE1-CG 4.38Å; Y71-K364 WeakPolarHBondContact CE1-O 3.25Å; Y71-K364 VanDerWaalsContact CZ-O 3.29Å; Y71-K364 WeakPolarHBondContact OH-CB 3.3Å; Y71-K364 PolarHBondContact OH-O 2.99Å; Y71-C366 HydrophobicContact CD1-CB 4.47Å
72	E	94.7	Very high	95.2	Very high	104 Å²	104	40.3 Å²	40.3	49%	0.486	20%	0.202	S	C	.	.	H	α-helix	trans	-61.5	-41.8	175.1	-72.7	-178.1	166.9	0	0	111.8	E68 G69 N70 N75 F76	E68-E72 WeakPolarHBondContact O-CG 3.38Å; E68-E72 PolarHBondContact O-N 3.28Å; G69-E72 PolarHBondContact O-N 3.42Å; N70-E72 VanDerWaalsContact C-N 3.33Å; N70-E72 PolarHBondContact O-N 3.34Å; E72-N75 PolarHBondContact O-N 2.87Å; E72-F76 WeakPolarHBondContact O-CB 3.22Å; E72-F76 PolarHBondContact O-N 2.8Å
73	I	95.4	Very high	95.6	Very high	16 Å²	16	46 Å²	46	8%	0.082	23%	0.228	C	C	.	.	H	α-helix	trans	-61.4	-49.7	174.1	-71.1	177.4	0	0	0	110.6	F57 H63 G69 N70 Y71 N75 F76 I77 H393	F57-I73 HydrophobicContact CD1-CD1 4.37Å; F57-I73 HydrophobicContact CD1-CG1 4.16Å; F57-I73 HydrophobicContact CD1-CG2 3.87Å; F57-I73 HydrophobicContact CE1-CG2 3.9Å; H63-I73 HydrophobicContact CB-CD1 3.64Å; H63-I73 WeakPolarHBondContact ND1-CD1 3.3Å; G69-I73 WeakPolarHBondContact O-CG1 3.45Å; G69-I73 PolarHBondContact O-N 2.9Å; G69-I73 VanDerWaalsContact O-N 3.08Å; N70-I73 PolarHBondContact O-N 3.38Å; Y71-I73 VanDerWaalsContact C-N 3.33Å; I73-N75 VanDerWaalsContact C-N 3.32Å; I73-N75 PolarHBondContact O-N 3.35Å; I73-F76 WeakPolarHBondContact O-CB 3.18Å; I73-F76 PolarHBondContact O-N 3.47Å; I73-I77 HydrophobicContact CG2-CD1 3.75Å; I73-I77 HydrophobicContact CG2-CG1 4.41Å; I73-I77 WeakPolarHBondContact O-CG1 3.29Å; I73-I77 PolarHBondContact O-N 3.45Å; I73-H393 HydrophobicContact CG2-CB 3.89Å
74	A	97.7	Very high	95.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.4	-43.3	176.9	0	0	0	0	0	112.2	N70 Y71 F76 I77 E78 C366 I368	N70-A74 PolarHBondContact O-N 2.79Å; Y71-A74 PolarHBondContact O-N 3.12Å; A74-F76 VanDerWaalsContact C-N 3.3Å; A74-F76 PolarHBondContact O-N 3.31Å; A74-I77 PolarHBondContact O-N 2.91Å; A74-E78 WeakPolarHBondContact O-CB 3.29Å; A74-E78 PolarHBondContact O-N 3.49Å; A74-C366 HydrophobicContact CB-CB 4.06Å; A74-I368 HydrophobicContact CB-CD1 4.33Å; A74-I368 HydrophobicContact CB-CG1 4.2Å
75	N	97.8	Very high	96.1	Very high	65 Å²	65	46 Å²	46	35%	0.348	23%	0.228	S	C	.	.	H	α-helix	trans	-64.4	-33.7	175.7	-66.7	-18.4	0	0	0	112.6	Y71 E72 I73 R79 R91	Y71-N75 WeakPolarHBondContact O-CB 3.32Å; Y71-N75 PolarHBondContact O-N 3.48Å; Y71-N75 PolarHBondContact O-ND2 3.46Å; Y71-N75 PolarHBondContact O-OD1 2.74Å; E72-N75 PolarHBondContact O-N 2.87Å; I73-N75 VanDerWaalsContact C-N 3.32Å; I73-N75 PolarHBondContact O-N 3.35Å; N75-R79 VanDerWaalsContact O-CG 3.29Å; N75-R79 WeakPolarHBondContact O-CG 3.15Å; N75-R79 PolarHBondContact O-N 3.33Å; N75-R79 PolarHBondContact O-NE 3.31Å; N75-R91 PolarHBondContact OD1-NH1 3.31Å; N75-R91 PolarHBondContact OD1-NH2 3.47Å
76	F	97.3	Very high	96.3	Very high	32 Å²	32	46.5 Å²	46.5	14%	0.14	23%	0.229	C	C	.	.	H	α-helix	trans	-69.7	-47.1	175.4	178.4	-104.1	0	0	0	111	Y53 K56 F57 E72 I73 A74 E78 R79 S80	Y53-F76 HydrophobicContact CD1-CE1 4.19Å; Y53-F76 AromaticContact CE1-CE1 3.54Å; Y53-F76 HydrophobicContact CE1-CE1 3.54Å; Y53-F76 AromaticContact CE1-CZ 3.85Å; Y53-F76 HydrophobicContact CE1-CZ 3.85Å; Y53-F76 AromaticContact CZ-CZ 3.95Å; K56-F76 HydrophobicContact CD-CD1 4.42Å; K56-F76 HydrophobicContact CD-CE1 3.66Å; K56-F76 HydrophobicContact CD-CE2 4Å; K56-F76 HydrophobicContact CD-CZ 3.44Å; K56-F76 VanDerWaalsContact CD-CZ 3.44Å; K56-F76 HydrophobicContact CG-CE1 4.39Å; F57-F76 AromaticContact CE1-CD1 3.7Å; F57-F76 HydrophobicContact CE1-CD1 3.7Å; F57-F76 HydrophobicContact CE1-CE1 4.15Å; F57-F76 AromaticContact CZ-CD1 3.99Å; F57-F76 HydrophobicContact CZ-CD1 3.99Å; F57-F76 HydrophobicContact CZ-CE1 4.05Å; E72-F76 WeakPolarHBondContact O-CB 3.22Å; E72-F76 PolarHBondContact O-N 2.8Å; I73-F76 WeakPolarHBondContact O-CB 3.18Å; I73-F76 PolarHBondContact O-N 3.47Å; A74-F76 VanDerWaalsContact C-N 3.3Å; A74-F76 PolarHBondContact O-N 3.31Å; F76-E78 PolarHBondContact O-N 3.49Å; F76-R79 PolarHBondContact O-N 3Å; F76-S80 WeakPolarHBondContact CZ-OG 3.43Å; F76-S80 PolarHBondContact O-N 2.84Å; F76-S80 PolarHBondContact O-OG 2.69Å
77	I	98.5	Very high	96.6	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.4	-48.7	177.9	-66.8	168.7	0	0	0	111.3	F57 I73 A74 R79 S80 W81 I368 H393 M407 S435	F57-I77 HydrophobicContact CE1-CD1 4.38Å; F57-I77 HydrophobicContact CE1-CG1 4.07Å; F57-I77 HydrophobicContact CZ-CG1 4.06Å; I73-I77 HydrophobicContact CG2-CD1 3.75Å; I73-I77 HydrophobicContact CG2-CG1 4.41Å; I73-I77 WeakPolarHBondContact O-CG1 3.29Å; I73-I77 PolarHBondContact O-N 3.45Å; A74-I77 PolarHBondContact O-N 2.91Å; I77-R79 VanDerWaalsContact C-N 3.34Å; I77-R79 PolarHBondContact O-N 2.92Å; I77-S80 PolarHBondContact O-N 3Å; I77-W81 HydrophobicContact CG2-CD2 3.95Å; I77-W81 HydrophobicContact CG2-CE3 4.42Å; I77-W81 HydrophobicContact CG2-CG 4.43Å; I77-W81 HydrophobicContact CG2-CH2 4.17Å; I77-W81 HydrophobicContact CG2-CZ2 3.66Å; I77-W81 HydrophobicContact CG2-CZ3 4.49Å; I77-W81 PolarHBondContact O-N 2.87Å; I77-I368 HydrophobicContact CG2-CB 4.14Å; I77-I368 HydrophobicContact CG2-CG1 4.4Å; I77-I368 HydrophobicContact CG2-CG2 4.08Å; I77-H393 HydrophobicContact CD1-CB 4.13Å; I77-M407 HydrophobicContact CD1-CE 4.34Å; I77-M407 HydrophobicContact CD1-SD 3.65Å; I77-M407 HydrophobicContact CG1-SD 4.47Å; I77-S435 WeakPolarHBondContact CD1-OG 3.4Å
78	E	98.7	Very high	96.9	Very high	46 Å²	46	49.8 Å²	49.8	22%	0.215	24%	0.244	C	C	.	.	H	α-helix	trans	-55.1	-49	177.8	-177	-176.8	-131.6	0	0	111.7	A74 F76 W81 I82 V89 R91 I368	A74-E78 WeakPolarHBondContact O-CB 3.29Å; A74-E78 PolarHBondContact O-N 3.49Å; F76-E78 PolarHBondContact O-N 3.49Å; E78-W81 PolarHBondContact O-N 3.4Å; E78-I82 HydrophobicContact CG-CD1 4.17Å; E78-I82 VanDerWaalsContact O-CG1 3.31Å; E78-I82 WeakPolarHBondContact O-CG1 3.41Å; E78-I82 PolarHBondContact O-N 3.49Å; E78-I82 VanDerWaalsContact O-N 3.17Å; E78-V89 HydrophobicContact CB-CG1 4.45Å; E78-V89 HydrophobicContact CG-CG1 3.84Å; E78-R91 WeakPolarHBondContact OE1-CB 3.39Å; E78-R91 IonicContact OE1-CZ 3.03Å; E78-R91 IonicContact OE1-NE 3.54Å; E78-R91 PolarHBondContact OE1-NE 3.27Å; E78-R91 VanDerWaalsContact OE1-NE 3.07Å; E78-R91 IonicContact OE1-NH2 3.84Å; E78-R91 IonicContact OE2-CZ 3.7Å; E78-R91 IonicContact OE2-NE 2.99Å; E78-R91 PolarHBondContact OE2-NE 2.77Å; E78-R91 IonicContact OE2-NH2 2.99Å; E78-R91 PolarHBondContact OE2-NH2 3.47Å; E78-I368 HydrophobicContact CB-CD1 4.01Å; E78-I368 HydrophobicContact CB-CG1 4.41Å; E78-I368 HydrophobicContact CB-CG2 4.17Å
79	R	98.6	Very high	97.3	Very high	154 Å²	154	44 Å²	44	58%	0.581	22%	0.219	S	C	*	.	H	α-helix	trans	-63.5	-45.4	179.3	-73.6	-177.6	-65.2	171.1	0.7	111.9	N75 F76 I77 W81 I82 E83	N75-R79 VanDerWaalsContact O-CG 3.29Å; N75-R79 WeakPolarHBondContact O-CG 3.15Å; N75-R79 PolarHBondContact O-N 3.33Å; N75-R79 PolarHBondContact O-NE 3.31Å; F76-R79 PolarHBondContact O-N 3Å; I77-R79 VanDerWaalsContact C-N 3.34Å; I77-R79 PolarHBondContact O-N 2.92Å; R79-W81 VanDerWaalsContact C-N 3.33Å; R79-W81 PolarHBondContact O-N 3.21Å; R79-I82 PolarHBondContact O-N 3.14Å; R79-E83 WeakPolarHBondContact O-CB 3.43Å; R79-E83 PolarHBondContact O-N 3.29Å
80	S	98.7	Very high	97.7	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-59.4	-43.7	178.5	-71.1	0	0	0	0	111.7	F76 I77 I82 E83 W84	F76-S80 WeakPolarHBondContact CZ-OG 3.43Å; F76-S80 PolarHBondContact O-N 2.84Å; F76-S80 PolarHBondContact O-OG 2.69Å; I77-S80 PolarHBondContact O-N 3Å; S80-I82 PolarHBondContact O-N 3.04Å; S80-E83 PolarHBondContact O-N 3.41Å; S80-W84 WeakPolarHBondContact O-CB 3.42Å; S80-W84 PolarHBondContact O-N 2.84Å
81	W	98.7	Very high	97.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.6	-40.1	-179.1	-68.4	7.6	0	0	0	112	I77 E78 R79 W84 G85 W86 V89 I368 L410 Q411 L433	I77-W81 HydrophobicContact CG2-CD2 3.95Å; I77-W81 HydrophobicContact CG2-CE3 4.42Å; I77-W81 HydrophobicContact CG2-CG 4.43Å; I77-W81 HydrophobicContact CG2-CH2 4.17Å; I77-W81 HydrophobicContact CG2-CZ2 3.66Å; I77-W81 HydrophobicContact CG2-CZ3 4.49Å; I77-W81 PolarHBondContact O-N 2.87Å; E78-W81 PolarHBondContact O-N 3.4Å; R79-W81 VanDerWaalsContact C-N 3.33Å; R79-W81 PolarHBondContact O-N 3.21Å; W81-W84 AromaticContact CD1-CE3 3.69Å; W81-W84 AromaticContact CD1-CZ3 3.55Å; W81-W84 AromaticContact NE1-CZ3 3.88Å; W81-W84 PolarHBondContact O-N 3.42Å; W81-G85 PolarHBondContact O-N 3.32Å; W81-W86 HydrophobicContact CB-CB 4.28Å; W81-W86 HydrophobicContact CB-CG 4.1Å; W81-W86 WeakPolarHBondContact O-CB 3.4Å; W81-W86 PolarHBondContact O-N 3.03Å; W81-V89 HydrophobicContact CB-CG1 4.34Å; W81-V89 HydrophobicContact CB-CG2 3.76Å; W81-V89 HydrophobicContact CE3-CG1 4.45Å; W81-I368 HydrophobicContact CD2-CG2 4.49Å; W81-I368 HydrophobicContact CE3-CG2 3.73Å; W81-I368 HydrophobicContact CZ3-CB 4.3Å; W81-I368 HydrophobicContact CZ3-CG2 3.74Å; W81-I368 WeakPolarHBondContact CZ3-O 3.42Å; W81-L410 HydrophobicContact CZ2-CD2 4.17Å; W81-L410 HydrophobicContact CZ2-CG 4.27Å; W81-Q411 VanDerWaalsContact NE1-OE1 3.08Å; W81-L433 HydrophobicContact CH2-CB 3.85Å; W81-L433 HydrophobicContact CZ2-CB 4.26Å; W81-L433 HydrophobicContact CZ3-CB 4.29Å
82	I	98.7	Very high	98	Very high	101 Å²	101	47 Å²	47	52%	0.518	23%	0.231	S	C	.	.	H	α-helix	trans	-59.7	-48.8	172.2	-66	167.1	0	0	0	109.9	E78 R79 S80 W84 G85 V89	E78-I82 HydrophobicContact CG-CD1 4.17Å; E78-I82 VanDerWaalsContact O-CG1 3.31Å; E78-I82 WeakPolarHBondContact O-CG1 3.41Å; E78-I82 PolarHBondContact O-N 3.49Å; E78-I82 VanDerWaalsContact O-N 3.17Å; R79-I82 PolarHBondContact O-N 3.14Å; S80-I82 PolarHBondContact O-N 3.04Å; I82-W84 VanDerWaalsContact C-N 3.31Å; I82-W84 PolarHBondContact O-N 3.13Å; I82-G85 PolarHBondContact O-N 3.25Å; I82-G85 VanDerWaalsContact O-N 3.07Å; I82-V89 HydrophobicContact CG1-CB 3.91Å; I82-V89 HydrophobicContact CG1-CG1 4.32Å; I82-V89 HydrophobicContact CG1-CG2 3.76Å
83	E	98.4	Very high	98.1	Very high	138 Å²	138	44.8 Å²	44.8	65%	0.645	22%	0.221	S	C	*	.	H	α-helix	trans	-62.9	-34.3	-179.3	-176.7	177.5	178.2	0	0	113	R79 S80 G85 R422	R79-E83 WeakPolarHBondContact O-CB 3.43Å; R79-E83 PolarHBondContact O-N 3.29Å; S80-E83 PolarHBondContact O-N 3.41Å; E83-G85 VanDerWaalsContact C-N 3.26Å; E83-G85 PolarHBondContact O-N 3.07Å; E83-R422 PolarHBondContact O-NH2 3.26Å
84	W	98.4	Very high	98.1	Very high	22 Å²	22	44 Å²	44	8%	0.083	22%	0.217	C	C	.	.	H	α-helix	trans	-78.6	-8.8	176.5	-61	-28.3	0	0	0	113.6	F49 Y53 S80 W81 I82 Q411 A414 R415 G418 E419 R422	F49-W84 HydrophobicContact CE2-CH2 4.24Å; F49-W84 AromaticContact CE2-CZ2 3.8Å; F49-W84 HydrophobicContact CE2-CZ2 3.8Å; F49-W84 AromaticContact CZ-CH2 3.75Å; F49-W84 HydrophobicContact CZ-CH2 3.75Å; F49-W84 AromaticContact CZ-CZ2 3.8Å; F49-W84 HydrophobicContact CZ-CZ2 3.8Å; Y53-W84 AromaticContact CE1-CH2 3.84Å; Y53-W84 HydrophobicContact CE1-CH2 3.84Å; Y53-W84 HydrophobicContact CE1-CZ2 4.09Å; Y53-W84 AromaticContact CZ-CZ2 3.77Å; Y53-W84 VanDerWaalsContact OH-CZ2 3.24Å; Y53-W84 WeakPolarHBondContact OH-CZ2 3.42Å; S80-W84 WeakPolarHBondContact O-CB 3.42Å; S80-W84 PolarHBondContact O-N 2.84Å; W81-W84 AromaticContact CD1-CE3 3.69Å; W81-W84 AromaticContact CD1-CZ3 3.55Å; W81-W84 AromaticContact NE1-CZ3 3.88Å; W81-W84 PolarHBondContact O-N 3.42Å; I82-W84 VanDerWaalsContact C-N 3.31Å; I82-W84 PolarHBondContact O-N 3.13Å; W84-Q411 HydrophobicContact CH2-CB 4.07Å; W84-Q411 HydrophobicContact CZ3-CB 4.37Å; W84-Q411 VanDerWaalsContact CZ3-O 3.32Å; W84-Q411 WeakPolarHBondContact CZ3-O 3.26Å; W84-A414 HydrophobicContact CE3-CB 3.96Å; W84-A414 HydrophobicContact CZ3-CB 3.83Å; W84-R415 HydrophobicContact CD2-CB 3.71Å; W84-R415 HydrophobicContact CD2-CG 3.97Å; W84-R415 HydrophobicContact CE3-CB 3.88Å; W84-R415 HydrophobicContact CG-CB 4.21Å; W84-R415 HydrophobicContact CG-CG 4.06Å; W84-R415 HydrophobicContact CH2-CB 4.21Å; W84-R415 HydrophobicContact CZ2-CB 4.04Å; W84-R415 HydrophobicContact CZ2-CG 4.32Å; W84-R415 HydrophobicContact CZ3-CB 4.13Å; W84-G418 CarbonylContact O-C 3.57Å; W84-G418 WeakPolarHBondContact O-CA 3.46Å; W84-E419 PolarHBondContact O-N 3Å; W84-R422 PolarHBondContact O-NH2 2.98Å
85	G	97.6	Very high	97.9	Very high	18 Å²	18	47.1 Å²	47.1	19%	0.186	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.4	28.5	173.3	0	0	0	0	0	113.9	W81 I82 E83 P87	W81-G85 PolarHBondContact O-N 3.32Å; I82-G85 PolarHBondContact O-N 3.25Å; I82-G85 VanDerWaalsContact O-N 3.07Å; E83-G85 VanDerWaalsContact C-N 3.26Å; E83-G85 PolarHBondContact O-N 3.07Å; G85-P87 WeakPolarHBondContact O-CD 3.48Å
86	W	98.5	Very high	97.7	Very high	12 Å²	12	44.1 Å²	44.1	5%	0.045	21%	0.213	C	C	.	.			trans	-60.1	126.3	165.4	-80.4	76.3	0	0	0	109.9	W81 V88 V89 G370 M372 A414 L417 I431 L433	W81-W86 HydrophobicContact CB-CB 4.28Å; W81-W86 HydrophobicContact CB-CG 4.1Å; W81-W86 WeakPolarHBondContact O-CB 3.4Å; W81-W86 PolarHBondContact O-N 3.03Å; W86-V88 VanDerWaalsContact C-N 3.28Å; W86-V88 PolarHBondContact O-N 3.24Å; W86-V89 HydrophobicContact CB-CG2 3.68Å; W86-G370 VanDerWaalsContact CE3-C 3.41Å; W86-G370 WeakPolarHBondContact CZ3-O 3.33Å; W86-M372 HydrophobicContact CE3-CB 4.18Å; W86-M372 HydrophobicContact CH2-CB 4.24Å; W86-M372 HydrophobicContact CH2-CE 4.17Å; W86-M372 HydrophobicContact CZ2-CE 4.21Å; W86-M372 HydrophobicContact CZ3-CB 3.71Å; W86-M372 HydrophobicContact CZ3-CE 4.43Å; W86-A414 HydrophobicContact CZ2-CB 4.34Å; W86-A414 PolarHBondContact NE1-O 2.95Å; W86-L417 HydrophobicContact CZ2-CB 4.04Å; W86-L417 HydrophobicContact CZ2-CD1 4.41Å; W86-I431 HydrophobicContact CH2-CG2 4.34Å; W86-L433 HydrophobicContact CH2-CB 4.25Å; W86-L433 HydrophobicContact CH2-CD1 3.5Å; W86-L433 VanDerWaalsContact CH2-CD1 3.5Å; W86-L433 HydrophobicContact CH2-CD2 4.47Å; W86-L433 HydrophobicContact CH2-CG 3.42Å; W86-L433 VanDerWaalsContact CH2-CG 3.42Å; W86-L433 HydrophobicContact CZ2-CD1 3.23Å; W86-L433 HydrophobicContact CZ2-CG 3.76Å; W86-L433 HydrophobicContact CZ3-CD1 4.49Å; W86-L433 HydrophobicContact CZ3-CG 4.18Å
87	P	98.1	Very high	97.5	Very high	56 Å²	56	42.9 Å²	42.9	36%	0.364	21%	0.208	S	C	.	.	S	Bend	trans	-63.6	-34.6	-174.8	-27.5	38.1	0	0	0	113.7	G85 I371 Y421	G85-P87 WeakPolarHBondContact O-CD 3.48Å; P87-I371 WeakPolarHBondContact CD-O 3.34Å; P87-Y421 HydrophobicContact CB-CE1 4.22Å; P87-Y421 HydrophobicContact CG-CD1 3.56Å; P87-Y421 HydrophobicContact CG-CE1 3.18Å; P87-Y421 HydrophobicContact CG-CE2 4.22Å; P87-Y421 HydrophobicContact CG-CG 4.24Å
88	V	98.7	Very high	97.2	Very high	64 Å²	64	42.9 Å²	42.9	39%	0.388	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	129.4	176.3	176.3	0	0	0	0	107.4	W86 G370 I371	W86-V88 VanDerWaalsContact C-N 3.28Å; W86-V88 PolarHBondContact O-N 3.24Å; V88-G370 WeakPolarHBondContact O-CA 3.28Å; V88-I371 HydrophobicContact CB-CB 4.05Å; V88-I371 HydrophobicContact CG1-CB 4.37Å; V88-I371 HydrophobicContact CG1-CD1 4.26Å; V88-I371 PolarHBondContact N-O 2.7Å; V88-I371 PolarHBondContact O-N 2.83Å
89	V	98.7	Very high	96.9	Very high	31 Å²	31	40.8 Å²	40.8	19%	0.188	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	110.9	169.1	-177.4	0	0	0	0	106	E78 W81 I82 W86 I368	E78-V89 HydrophobicContact CB-CG1 4.45Å; E78-V89 HydrophobicContact CG-CG1 3.84Å; W81-V89 HydrophobicContact CB-CG1 4.34Å; W81-V89 HydrophobicContact CB-CG2 3.76Å; W81-V89 HydrophobicContact CE3-CG1 4.45Å; I82-V89 HydrophobicContact CG1-CB 3.91Å; I82-V89 HydrophobicContact CG1-CG1 4.32Å; I82-V89 HydrophobicContact CG1-CG2 3.76Å; W86-V89 HydrophobicContact CB-CG2 3.68Å; V89-I368 HydrophobicContact CG1-CG2 3.9Å
90	D	98.3	Very high	96.6	Very high	58 Å²	58	36.2 Å²	36.2	31%	0.31	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.7	-176.2	-178.9	40.2	0	0	0	109.6	Q92 V369	D90-Q92 VanDerWaalsContact OD2-CG 3.22Å; D90-Q92 WeakPolarHBondContact OD2-CG 3.45Å; D90-Q92 PolarHBondContact OD2-NE2 2.86Å; D90-V369 HydrophobicContact CB-CB 4.42Å; D90-V369 PolarHBondContact N-O 3.11Å; D90-V369 PolarHBondContact O-N 2.85Å
91	R	98.2	Very high	96.3	Very high	54 Å²	54	36.4 Å²	36.4	20%	0.204	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	120.6	170.4	171.4	-179.1	-67.9	-89.8	3.3	109	N75 E78 E93 I368	N75-R91 PolarHBondContact OD1-NH1 3.31Å; N75-R91 PolarHBondContact OD1-NH2 3.47Å; E78-R91 WeakPolarHBondContact OE1-CB 3.39Å; E78-R91 IonicContact OE1-CZ 3.03Å; E78-R91 IonicContact OE1-NE 3.54Å; E78-R91 PolarHBondContact OE1-NE 3.27Å; E78-R91 VanDerWaalsContact OE1-NE 3.07Å; E78-R91 IonicContact OE1-NH2 3.84Å; E78-R91 IonicContact OE2-CZ 3.7Å; E78-R91 IonicContact OE2-NE 2.99Å; E78-R91 PolarHBondContact OE2-NE 2.77Å; E78-R91 IonicContact OE2-NH2 2.99Å; E78-R91 PolarHBondContact OE2-NH2 3.47Å; R91-E93 HydrophobicContact CG-CG 4.18Å; R91-I368 HydrophobicContact CB-CD1 4.19Å; R91-I368 HydrophobicContact CG-CD1 4.2Å
92	Q	97.4	Very high	96.1	Very high	12 Å²	12	36.8 Å²	36.8	6%	0.056	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	119.6	177.3	-53.5	-167	-13.5	0	0	110.6	D90 F94 N367 V369 K452	D90-Q92 VanDerWaalsContact OD2-CG 3.22Å; D90-Q92 WeakPolarHBondContact OD2-CG 3.45Å; D90-Q92 PolarHBondContact OD2-NE2 2.86Å; Q92-F94 HydrophobicContact CB-CE2 3.99Å; Q92-F94 HydrophobicContact CB-CZ 4.09Å; Q92-N367 HydrophobicContact CB-CB 4.22Å; Q92-N367 PolarHBondContact N-O 3.49Å; Q92-N367 PolarHBondContact O-N 3.44Å; Q92-V369 HydrophobicContact CG-CG2 4.29Å; Q92-K452 VanDerWaalsContact CD-NZ 3.35Å; Q92-K452 VanDerWaalsContact NE2-NZ 3.11Å
93	E	96.8	Very high	95.8	Very high	58 Å²	58	33.7 Å²	33.7	27%	0.271	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.8	-179.7	-58	-173	147.9	0	0	111.2	R91 Y95 K364 L365	R91-E93 HydrophobicContact CG-CG 4.18Å; E93-Y95 HydrophobicContact CB-CE2 4.09Å; E93-Y95 PolarHBondContact OE2-OH 3.42Å; E93-K364 HydrophobicContact CB-CD 4.36Å; E93-K364 HydrophobicContact CB-CG 4.23Å; E93-K364 HydrophobicContact CG-CD 4.2Å; E93-K364 HydrophobicContact CG-CG 4.46Å; E93-K364 WeakPolarHBondContact OE1-CD 3.48Å; E93-K364 IonicContact OE1-NZ 3.41Å; E93-K364 PolarHBondContact OE1-NZ 2.77Å; E93-L365 CarbonylContact C-O 3.53Å; E93-L365 VanDerWaalsContact CA-O 3.28Å; E93-L365 WeakPolarHBondContact CA-O 3.32Å
94	F	95.7	Very high	95.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	151.8	173.1	-54.9	-73.5	0	0	0	109.8	Q92 P288 S289 L290 K364 L365 N367 H448 K452	Q92-F94 HydrophobicContact CB-CE2 3.99Å; Q92-F94 HydrophobicContact CB-CZ 4.09Å; F94-P288 HydrophobicContact CD1-CB 4.45Å; F94-P288 HydrophobicContact CE1-CB 4.12Å; F94-S289 CarbonylContact C-O 3.58Å; F94-S289 WeakPolarHBondContact CA-O 3.42Å; F94-L290 HydrophobicContact CD1-CD2 3.8Å; F94-L290 HydrophobicContact CD1-CG 4.36Å; F94-L290 HydrophobicContact CE1-CD2 3.76Å; F94-L290 HydrophobicContact CE1-CG 4.35Å; F94-K364 CarbonylContact O-C 2.95Å; F94-K364 VanDerWaalsContact O-CA 3.3Å; F94-K364 WeakPolarHBondContact O-CA 3.45Å; F94-L365 HydrophobicContact CB-CB 4.39Å; F94-L365 PolarHBondContact N-O 3.24Å; F94-L365 PolarHBondContact O-N 3.42Å; F94-N367 HydrophobicContact CE2-CB 4.39Å; F94-N367 WeakPolarHBondContact CE2-ND2 3.49Å; F94-H448 HydrophobicContact CD1-CB 3.56Å; F94-H448 HydrophobicContact CD2-CB 3.84Å; F94-H448 HydrophobicContact CE1-CB 3.56Å; F94-H448 HydrophobicContact CE2-CB 3.85Å; F94-H448 HydrophobicContact CG-CB 3.7Å; F94-H448 HydrophobicContact CZ-CB 3.7Å; F94-K452 HydrophobicContact CE1-CD 4.41Å; F94-K452 HydrophobicContact CZ-CD 4.45Å
95	Y	94.5	Very high	94.6	Very high	66 Å²	66	41.9 Å²	41.9	26%	0.259	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	89.2	-171.1	-66.7	-92.5	0	0	0	109.9	E93 S289 P291 R295 V363 K364	E93-Y95 HydrophobicContact CB-CE2 4.09Å; E93-Y95 PolarHBondContact OE2-OH 3.42Å; Y95-S289 PolarHBondContact N-O 3.22Å; Y95-S289 PolarHBondContact O-OG 3.49Å; Y95-P291 HydrophobicContact CD2-CG 4.25Å; Y95-P291 HydrophobicContact CE2-CG 3.95Å; Y95-R295 PolarHBondContact O-NH1 3.26Å; Y95-V363 CarbonylContact C-O 3.51Å; Y95-V363 VanDerWaalsContact CA-O 3.31Å; Y95-V363 WeakPolarHBondContact CA-O 3.47Å; Y95-K364 HydrophobicContact CD1-CB 4.38Å; Y95-K364 HydrophobicContact CE1-CB 4.19Å; Y95-K364 HydrophobicContact CE1-CD 4.2Å; Y95-K364 HydrophobicContact CE1-CG 4.06Å
96	V	93.3	Very high	94.3	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	153.8	-167.9	-58	0	0	0	0	112.3	L98 P362 V363 L365 L444 H448	V96-L98 HydrophobicContact CG2-CD2 3.57Å; V96-L98 HydrophobicContact CG2-CG 3.84Å; V96-L98 PolarHBondContact O-N 2.86Å; V96-P362 CarbonylContact O-C 3.54Å; V96-P362 WeakPolarHBondContact O-CA 3.39Å; V96-V363 PolarHBondContact N-O 2.79Å; V96-V363 PolarHBondContact O-N 2.95Å; V96-L365 HydrophobicContact CG1-CD2 4.14Å; V96-L365 HydrophobicContact CG2-CD1 3.42Å; V96-L365 VanDerWaalsContact CG2-CD1 3.42Å; V96-L365 HydrophobicContact CG2-CD2 3.66Å; V96-L365 HydrophobicContact CG2-CG 4.12Å; V96-L444 HydrophobicContact CG2-CD1 4.23Å; V96-H448 WeakPolarHBondContact CG1-NE2 3.46Å
97	T	92.4	Very high	94.1	Very high	6 Å²	6	45.6 Å²	45.6	4%	0.037	25%	0.249	C	C	.	.			trans	-85.4	106.2	170.8	-60	0	0	0	0	108.9	T283 L299 V358 S359	T97-T283 HydrophobicContact CG2-CG2 4.4Å; T97-L299 HydrophobicContact CG2-CG 4.17Å; T97-V358 HydrophobicContact CG2-CG1 3.29Å; T97-S359 WeakPolarHBondContact CA-OG 3.3Å
98	L	92.3	Very high	94.1	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.			trans	-87.2	135.9	-175.5	-72	-178.4	0	0	0	112.2	V96 L100 V358 S359 V363 L365 F441 L444	V96-L98 HydrophobicContact CG2-CD2 3.57Å; V96-L98 HydrophobicContact CG2-CG 3.84Å; V96-L98 PolarHBondContact O-N 2.86Å; L98-L100 HydrophobicContact CB-CD2 3.72Å; L98-L100 HydrophobicContact CB-CG 4.15Å; L98-L100 HydrophobicContact CD1-CD2 4.18Å; L98-L100 PolarHBondContact O-N 2.98Å; L98-V358 WeakPolarHBondContact O-CA 3.43Å; L98-S359 PolarHBondContact N-OG 3.25Å; L98-S359 PolarHBondContact O-N 3.21Å; L98-V363 HydrophobicContact CB-CG2 4.39Å; L98-V363 HydrophobicContact CD1-CB 3.76Å; L98-V363 HydrophobicContact CD1-CG1 3.69Å; L98-V363 HydrophobicContact CD1-CG2 4.08Å; L98-V363 HydrophobicContact CG-CB 4.04Å; L98-V363 HydrophobicContact CG-CG2 4.28Å; L98-L365 HydrophobicContact CD1-CD1 4.25Å; L98-L365 HydrophobicContact CD2-CD1 4.38Å; L98-F441 HydrophobicContact CD2-CB 4.22Å; L98-F441 HydrophobicContact CD2-CD1 4.36Å; L98-F441 HydrophobicContact CD2-CG 4.28Å; L98-L444 HydrophobicContact CD2-CD1 3.96Å
99	P	93	Very high	94.1	Very high	2 Å²	2	42 Å²	42	1%	0.013	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	86	169.2	32.6	-28.6	0	0	0	110.2	A157 Y158 L299 L305 Q357 F441	P99-A157 HydrophobicContact CG-CB 4.37Å; P99-Y158 HydrophobicContact CB-CD1 4.15Å; P99-Y158 HydrophobicContact CB-CD2 4.13Å; P99-Y158 HydrophobicContact CB-CE1 4.46Å; P99-Y158 HydrophobicContact CB-CE2 4.45Å; P99-Y158 HydrophobicContact CB-CG 3.96Å; P99-Y158 HydrophobicContact CG-CD1 3.82Å; P99-Y158 HydrophobicContact CG-CD2 3.34Å; P99-Y158 HydrophobicContact CG-CE1 3.76Å; P99-Y158 HydrophobicContact CG-CE2 3.27Å; P99-Y158 HydrophobicContact CG-CG 3.62Å; P99-Y158 VanDerWaalsContact CG-CZ 3.49Å; P99-L299 HydrophobicContact CB-CD1 3.74Å; P99-L299 HydrophobicContact CG-CD1 4.16Å; P99-L305 HydrophobicContact CB-CD2 4.37Å; P99-Q357 CarbonylContact C-O 3.56Å; P99-F441 HydrophobicContact CG-CD1 4.24Å
100	L	91.6	Very high	94	Very high	58 Å²	58	44 Å²	44	30%	0.304	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	160.8	-177	-56.1	174.8	0	0	0	112.1	L98 Q357	L98-L100 HydrophobicContact CB-CD2 3.72Å; L98-L100 HydrophobicContact CB-CG 4.15Å; L98-L100 HydrophobicContact CD1-CD2 4.18Å; L98-L100 PolarHBondContact O-N 2.98Å; L100-Q357 CarbonylContact C-O 3.3Å; L100-Q357 WeakPolarHBondContact CA-O 3.34Å; L100-Q357 PolarHBondContact N-O 3.47Å; L100-Q357 PolarHBondContact O-N 2.91Å; L100-Q357 VanDerWaalsContact O-N 3.08Å
101	G	92.8	Very high	94	Very high	8 Å²	8	41.5 Å²	41.5	8%	0.082	22%	0.215	C	C	.	.			trans	-68.5	-169.7	168.3	0	0	0	0	0	112.9	Y155 Q357	G101-Y155 VanDerWaalsContact CA-CE2 3.48Å; G101-Q357 PolarHBondContact O-N 2.8Å; G101-Q357 VanDerWaalsContact O-N 3.15Å
102	P	95.3	Very high	94	Very high	8 Å²	8	40.2 Å²	40.2	5%	0.052	21%	0.212	C	C	.	.	S	Bend	trans	-64.4	159	169.8	32	-36.4	0	0	0	110.4	W108 P153 H355	P102-W108 HydrophobicContact CG-CB 4.44Å; P102-P153 HydrophobicContact CG-CB 3.43Å; P102-P153 VanDerWaalsContact CG-CB 3.43Å; P102-P153 HydrophobicContact CG-CG 3.84Å; P102-H355 HydrophobicContact CB-CB 3.92Å
103	P	91	Very high	94.1	Very high	35 Å²	35	40 Å²	40	23%	0.227	21%	0.211	C	C	.	.			trans	-60.7	143.9	180	21.5	-28	0	0	0	111.4	N105 G106 W108 Q357	P103-N105 VanDerWaalsContact C-N 3.27Å; P103-N105 PolarHBondContact O-N 3.35Å; P103-G106 WeakPolarHBondContact CG-O 3.4Å; P103-G106 WeakPolarHBondContact O-CA 3.31Å; P103-G106 PolarHBondContact O-N 3.49Å; P103-W108 VanDerWaalsContact O-CD1 3.31Å; P103-W108 PolarHBondContact O-NE1 3Å; P103-Q357 VanDerWaalsContact CG-NE2 3.35Å
104	E	84.7	Confident	94.1	Very high	167 Å²	167	37.3 Å²	37.3	78%	0.78	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-40.8	-174.5	-68.7	-177.8	168.1	0	0	112.9	G106 W108	E104-G106 PolarHBondContact O-N 2.88Å; E104-W108 WeakPolarHBondContact O-CZ2 3.35Å; E104-W108 PolarHBondContact O-NE1 3.45Å
105	N	88.1	Confident	94.1	Very high	166 Å²	166	38.8 Å²	38.8	89%	0.888	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	8.2	178.9	-61.6	-40.3	0	0	0	114	P103	P103-N105 VanDerWaalsContact C-N 3.27Å; P103-N105 PolarHBondContact O-N 3.35Å
106	G	90.1	Very high	94.1	Very high	24 Å²	24	38.2 Å²	38.2	25%	0.247	21%	0.212	C	C	.	.	S	Bend	trans	78.4	178.7	-177.4	0	0	0	0	0	115	P103 E104	P103-G106 WeakPolarHBondContact CG-O 3.4Å; P103-G106 WeakPolarHBondContact O-CA 3.31Å; P103-G106 PolarHBondContact O-N 3.49Å; E104-G106 PolarHBondContact O-N 2.88Å
107	P	95.6	Very high	94	Very high	84 Å²	84	43 Å²	43	55%	0.545	24%	0.238	S	C	.	.	P	Polyproline II helix	cis	-67.8	140.5	0.2	29.6	-35.4	0	0	0	112.1	H355	P107-H355 WeakPolarHBondContact O-CB 3.49Å
108	W	97.1	Very high	94	Very high	44 Å²	44	44.2 Å²	44.2	17%	0.167	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-87.7	165.7	176.3	-65.2	-17.1	0	0	0	111.4	P102 P103 E104 S128 Q151 P153 H355	P102-W108 HydrophobicContact CG-CB 4.44Å; P103-W108 VanDerWaalsContact O-CD1 3.31Å; P103-W108 PolarHBondContact O-NE1 3Å; E104-W108 WeakPolarHBondContact O-CZ2 3.35Å; E104-W108 PolarHBondContact O-NE1 3.45Å; W108-S128 WeakPolarHBondContact CZ3-OG 3.42Å; W108-Q151 HydrophobicContact CH2-CB 3.64Å; W108-Q151 HydrophobicContact CZ3-CB 4.33Å; W108-P153 HydrophobicContact CB-CB 4.4Å; W108-P153 HydrophobicContact CD2-CB 4Å; W108-P153 HydrophobicContact CG-CB 3.83Å; W108-H355 PolarHBondContact O-CD2 2.92Å
109	N	98.4	Very high	94.1	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-62.2	146.5	179.1	-60.6	-10.8	0	0	0	110.3	N127 V154 Q311 V353 H355 N356	N109-N127 WeakPolarHBondContact O-CB 3.38Å; N109-V154 PolarHBondContact ND2-O 2.81Å; N109-Q311 PolarHBondContact ND2-OE1 2.83Å; N109-V353 CarbonylContact C-O 3.32Å; N109-V353 WeakPolarHBondContact CA-O 3.46Å; N109-V353 WeakPolarHBondContact CB-O 3.36Å; N109-H355 PolarHBondContact OD1-N 3.44Å; N109-N356 PolarHBondContact ND2-OD1 3.29Å
110	E	97.9	Very high	94.2	Very high	73 Å²	73	55 Å²	55	34%	0.341	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	138.5	-179	-57	-179.4	121.3	0	0	110.3	L112 V352 V353	E110-L112 HydrophobicContact CB-CD2 4.37Å; E110-L112 HydrophobicContact CB-CG 4.22Å; E110-V352 CarbonylContact O-C 3.58Å; E110-V352 WeakPolarHBondContact O-CA 3.35Å; E110-V353 HydrophobicContact CB-CB 4.19Å; E110-V353 PolarHBondContact N-O 3.33Å; E110-V353 PolarHBondContact O-N 3.07Å
111	V	98.5	Very high	94.5	Very high	5 Å²	5	56.3 Å²	56.3	3%	0.03	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	103.5	166.6	-174.5	0	0	0	0	107.2	A125 I241 Q311 V313 F321 L350 V352	V111-A125 HydrophobicContact CB-CB 3.99Å; V111-A125 PolarHBondContact O-N 3.3Å; V111-I241 HydrophobicContact CG1-CD1 4.05Å; V111-I241 HydrophobicContact CG1-CG1 4.49Å; V111-I241 HydrophobicContact CG2-CD1 3.91Å; V111-Q311 HydrophobicContact CG2-CB 4.17Å; V111-Q311 HydrophobicContact CG2-CG 3.6Å; V111-V313 HydrophobicContact CB-CG1 4.31Å; V111-V313 HydrophobicContact CG2-CG1 4Å; V111-F321 HydrophobicContact CB-CE2 4.44Å; V111-F321 HydrophobicContact CB-CZ 4.35Å; V111-F321 HydrophobicContact CG1-CE2 3.63Å; V111-F321 HydrophobicContact CG1-CZ 3.71Å; V111-L350 HydrophobicContact CG1-CD1 4.19Å; V111-L350 HydrophobicContact CG1-CD2 4.32Å; V111-V352 HydrophobicContact CG1-CG2 4.39Å; V111-V352 HydrophobicContact CG2-CG1 4.44Å
112	L	98.3	Very high	94.7	Very high	27 Å²	27	60.2 Å²	60.2	14%	0.141	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	125.6	-174.7	-51.1	177.8	0	0	0	109.6	E110 T114 V121 H123 L350 K351	E110-L112 HydrophobicContact CB-CD2 4.37Å; E110-L112 HydrophobicContact CB-CG 4.22Å; L112-T114 HydrophobicContact CB-CG2 4.27Å; L112-V121 HydrophobicContact CB-CG1 4.42Å; L112-V121 HydrophobicContact CD1-CG2 4.34Å; L112-V121 HydrophobicContact CD2-CG1 4.45Å; L112-H123 CarbonylContact C-O 3.55Å; L112-H123 WeakPolarHBondContact CA-O 3.34Å; L112-L350 CarbonylContact O-C 3.55Å; L112-L350 WeakPolarHBondContact O-CA 3.48Å; L112-K351 HydrophobicContact CB-CB 4.33Å; L112-K351 HydrophobicContact CD1-CD 4.48Å; L112-K351 PolarHBondContact N-O 2.97Å; L112-K351 PolarHBondContact O-N 3.09Å
113	L	98.3	Very high	94.8	Very high	6 Å²	6	62.1 Å²	62.1	3%	0.031	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	125.3	163.6	-173.8	71.5	0	0	0	108.6	I122 H123 I320 F321 T348 L350	L113-I122 HydrophobicContact CD2-CB 4.31Å; L113-I122 HydrophobicContact CD2-CG2 4.13Å; L113-I122 HydrophobicContact CG-CB 4.35Å; L113-I122 PolarHBondContact O-N 2.97Å; L113-H123 HydrophobicContact CB-CB 4.17Å; L113-H123 PolarHBondContact N-O 3.31Å; L113-H123 PolarHBondContact O-N 2.95Å; L113-I320 HydrophobicContact CD2-CG2 4.14Å; L113-F321 HydrophobicContact CB-CD1 3.92Å; L113-F321 HydrophobicContact CB-CE1 3.79Å; L113-F321 HydrophobicContact CD1-CD1 4.38Å; L113-F321 HydrophobicContact CD2-CD1 4.41Å; L113-F321 HydrophobicContact CG-CD1 4.48Å; L113-T348 HydrophobicContact CD1-CG2 4.49Å; L113-L350 HydrophobicContact CB-CD2 4.05Å; L113-L350 HydrophobicContact CD1-CD2 3.81Å
114	T	98.2	Very high	95.1	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.012	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	169.2	-179	69.2	0	0	0	0	110.9	L112 E120 V121 F165 T348 C349 K351	L112-T114 HydrophobicContact CB-CG2 4.27Å; T114-E120 CarbonylContact C-O 3.57Å; T114-E120 WeakPolarHBondContact CA-O 3.47Å; T114-E120 VanDerWaalsContact CB-O 3.24Å; T114-E120 WeakPolarHBondContact CB-O 3.42Å; T114-V121 HydrophobicContact CG2-CG2 4.41Å; T114-F165 WeakPolarHBondContact OG1-CE2 3.39Å; T114-T348 CarbonylContact O-C 3.58Å; T114-T348 WeakPolarHBondContact O-CA 3.48Å; T114-T348 WeakPolarHBondContact O-CB 3.38Å; T114-C349 PolarHBondContact N-O 3.33Å; T114-C349 PolarHBondContact O-N 2.88Å; T114-C349 PolarHBondContact OG1-O 3.36Å; T114-K351 HydrophobicContact CG2-CB 4.5Å
115	N	95.7	Very high	95.8	Very high	31 Å²	31	54.8 Å²	54.8	17%	0.166	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	168.9	159.3	65.1	-8.3	0	0	0	111.4	D117 G118 T119 E120	N115-D117 PolarHBondContact ND2-OD1 3.02Å; N115-D117 PolarHBondContact O-N 2.92Å; N115-D117 VanDerWaalsContact O-N 3.16Å; N115-D117 PolarHBondContact OD1-OD1 2.94Å; N115-G118 PolarHBondContact O-N 3.1Å; N115-G118 PolarHBondContact OD1-N 3.25Å; N115-T119 PolarHBondContact ND2-OG1 3.45Å; N115-T119 PolarHBondContact OD1-N 3.18Å; N115-E120 HydrophobicContact CB-CB 4.42Å; N115-E120 PolarHBondContact N-O 3.49Å; N115-E120 VanDerWaalsContact N-O 3.07Å; N115-E120 PolarHBondContact OD1-N 3.1Å; N115-E120 PolarHBondContact OD1-O 3.12Å
116	S	92.9	Very high	96.1	Very high	55 Å²	55	50 Å²	50	39%	0.385	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.3	-171	54.9	0	0	0	0	115.3	K347	S116-K347 PolarHBondContact N-O 2.78Å
117	D	92.3	Very high	96.4	Very high	101 Å²	101	51.3 Å²	51.3	54%	0.54	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-4.5	177.6	67	4.2	0	0	0	113.5	N115 T119	N115-D117 PolarHBondContact ND2-OD1 3.02Å; N115-D117 PolarHBondContact O-N 2.92Å; N115-D117 VanDerWaalsContact O-N 3.16Å; N115-D117 PolarHBondContact OD1-OD1 2.94Å; D117-T119 VanDerWaalsContact C-N 3.31Å; D117-T119 HydrophobicContact CB-CG2 4.42Å; D117-T119 VanDerWaalsContact CG-OG1 3.29Å; D117-T119 WeakPolarHBondContact OD1-CB 3.37Å; D117-T119 WeakPolarHBondContact OD1-CG2 3.38Å; D117-T119 PolarHBondContact OD1-N 3.37Å; D117-T119 PolarHBondContact OD1-OG1 2.97Å; D117-T119 PolarHBondContact OD2-OG1 3.36Å
118	G	92	Very high	96.4	Very high	32 Å²	32	47.8 Å²	47.8	33%	0.33	27%	0.271	S	S	.	.	S	Bend	trans	78.6	10.4	177.1	0	0	0	0	0	114.8	N115	N115-G118 PolarHBondContact O-N 3.1Å; N115-G118 PolarHBondContact OD1-N 3.25Å
119	T	93.9	Very high	96.2	Very high	104 Å²	104	45.9 Å²	45.9	64%	0.638	26%	0.264	S	S	*	.			trans	-82.4	-28.7	-176.1	58.1	0	0	0	0	113.7	N115 D117	N115-T119 PolarHBondContact ND2-OG1 3.45Å; N115-T119 PolarHBondContact OD1-N 3.18Å; D117-T119 VanDerWaalsContact C-N 3.31Å; D117-T119 HydrophobicContact CB-CG2 4.42Å; D117-T119 VanDerWaalsContact CG-OG1 3.29Å; D117-T119 WeakPolarHBondContact OD1-CB 3.37Å; D117-T119 WeakPolarHBondContact OD1-CG2 3.38Å; D117-T119 PolarHBondContact OD1-N 3.37Å; D117-T119 PolarHBondContact OD1-OG1 2.97Å; D117-T119 PolarHBondContact OD2-OG1 3.36Å
120	E	96	Very high	95.8	Very high	124 Å²	124	48.8 Å²	48.8	58%	0.579	28%	0.282	S	S	*	.	S	Bend	trans	-118.7	125.4	-178.8	-174.2	-178.5	-175.4	0	0	110.3	T114 N115	T114-E120 CarbonylContact C-O 3.57Å; T114-E120 WeakPolarHBondContact CA-O 3.47Å; T114-E120 VanDerWaalsContact CB-O 3.24Å; T114-E120 WeakPolarHBondContact CB-O 3.42Å; N115-E120 HydrophobicContact CB-CB 4.42Å; N115-E120 PolarHBondContact N-O 3.49Å; N115-E120 VanDerWaalsContact N-O 3.07Å; N115-E120 PolarHBondContact OD1-N 3.1Å; N115-E120 PolarHBondContact OD1-O 3.12Å
121	V	97.1	Very high	95	Very high	85 Å²	85	45.6 Å²	45.6	52%	0.515	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	117.7	174.1	-179.6	0	0	0	0	109	L112 T114	L112-V121 HydrophobicContact CB-CG1 4.42Å; L112-V121 HydrophobicContact CD1-CG2 4.34Å; L112-V121 HydrophobicContact CD2-CG1 4.45Å; T114-V121 HydrophobicContact CG2-CG2 4.41Å
122	I	97.2	Very high	93.8	Very high	91 Å²	91	47 Å²	47	47%	0.467	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-42.9	178.6	-59	170.5	0	0	0	110.2	L113 T348	L113-I122 HydrophobicContact CD2-CB 4.31Å; L113-I122 HydrophobicContact CD2-CG2 4.13Å; L113-I122 HydrophobicContact CG-CB 4.35Å; L113-I122 PolarHBondContact O-N 2.97Å; I122-T348 HydrophobicContact CD1-CG2 3.67Å
123	H	98.1	Very high	92.2	Very high	48 Å²	48	47.3 Å²	47.3	22%	0.222	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	143.7	180	-174.4	68.9	0	0	0	110.5	L112 L113 D317 I320 F321	L112-H123 CarbonylContact C-O 3.55Å; L112-H123 WeakPolarHBondContact CA-O 3.34Å; L113-H123 HydrophobicContact CB-CB 4.17Å; L113-H123 PolarHBondContact N-O 3.31Å; L113-H123 PolarHBondContact O-N 2.95Å; H123-D317 IonicContact CD2-OD1 3.8Å; H123-D317 IonicContact CE1-OD1 3.66Å; H123-D317 IonicContact NE2-OD1 2.77Å; H123-D317 PolarHBondContact NE2-OD1 3.25Å; H123-I320 HydrophobicContact CB-CG2 4.01Å; H123-I320 VanDerWaalsContact CE1-CD1 3.42Å; H123-I320 WeakPolarHBondContact CE1-CD1 3.32Å; H123-F321 AromaticContact CD2-CE1 3.83Å
124	G	97.8	Very high	90.2	Very high	35 Å²	35	54.7 Å²	54.7	36%	0.361	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.7	170.3	0	0	0	0	0	109.9
125	A	97.8	Very high	87.9	Confident	12 Å²	12	57.1 Å²	57.1	10%	0.099	33%	0.33	C	S	.	.			trans	-65.1	152.5	175.3	0	0	0	0	0	111.8	V111 N127 V313 D317 F321	V111-A125 HydrophobicContact CB-CB 3.99Å; V111-A125 PolarHBondContact O-N 3.3Å; A125-N127 PolarHBondContact O-N 3Å; A125-V313 HydrophobicContact CB-CG1 4.04Å; A125-D317 VanDerWaalsContact CA-CG 3.49Å; A125-D317 WeakPolarHBondContact CA-OD2 3.36Å; A125-D317 HydrophobicContact CB-CB 3.95Å; A125-D317 WeakPolarHBondContact CB-OD2 3.22Å; A125-F321 HydrophobicContact CB-CE2 4.22Å; A125-F321 HydrophobicContact CB-CZ 3.86Å
126	Q	96	Very high	85.2	Confident	67 Å²	67	62.8 Å²	62.8	31%	0.313	36%	0.355	S	S	.	.			trans	-60.4	123.8	170.8	-179.7	173.5	-5	0	0	110.2	S128 D265 D317	Q126-S128 WeakPolarHBondContact CG-O 3.45Å; Q126-S128 PolarHBondContact NE2-O 3.29Å; Q126-D265 PolarHBondContact OE1-O 3.25Å; Q126-D317 PolarHBondContact N-OD2 3.18Å
127	N	95.3	Very high	82.7	Confident	50 Å²	50	65.8 Å²	65.8	27%	0.267	37%	0.366	S	S	.	.			trans	-106.3	-0	-177.5	61.7	1.7	0	0	0	114.2	N109 A125 P153 V154	N109-N127 WeakPolarHBondContact O-CB 3.38Å; A125-N127 PolarHBondContact O-N 3Å; N127-P153 WeakPolarHBondContact O-CA 3.19Å; N127-V154 PolarHBondContact O-N 2.77Å
128	S	95.4	Very high	80	Confident	10 Å²	10	65.6 Å²	65.6	7%	0.07	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	149.8	176.6	63	0	0	0	0	112.2	W108 Q126 L152	W108-S128 WeakPolarHBondContact CZ3-OG 3.42Å; Q126-S128 WeakPolarHBondContact CG-O 3.45Å; Q126-S128 PolarHBondContact NE2-O 3.29Å; S128-L152 CarbonylContact C-O 3.52Å; S128-L152 WeakPolarHBondContact CA-O 3.18Å; S128-L152 WeakPolarHBondContact CB-O 3.49Å
129	V	93.4	Very high	77	Confident	5 Å²	5	68.7 Å²	68.7	3%	0.03	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	148.3	170	-63.1	0	0	0	0	110.6	Q151 L152 V154 P267 F269 V397 A564	V129-Q151 WeakPolarHBondContact O-CA 3.08Å; V129-L152 HydrophobicContact CG2-CB 3.94Å; V129-L152 PolarHBondContact N-O 2.93Å; V129-L152 PolarHBondContact O-N 3.25Å; V129-V154 HydrophobicContact CG1-CG2 3.93Å; V129-P267 HydrophobicContact CG1-CG 3.69Å; V129-F269 HydrophobicContact CG1-CE2 4.27Å; V129-F269 HydrophobicContact CG1-CZ 4.49Å; V129-F269 HydrophobicContact CG2-CE2 3.89Å; V129-F269 HydrophobicContact CG2-CZ 3.78Å; V129-V397 HydrophobicContact CG2-CG2 4.48Å; V129-A564 HydrophobicContact CB-CB 3.75Å; V129-A564 HydrophobicContact CG1-CB 4.31Å; V129-A564 HydrophobicContact CG2-CB 3.85Å
130	T	89.3	Confident	73.9	Confident	62 Å²	62	72.3 Å²	72.3	38%	0.38	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	128	174.1	-57	0	0	0	0	109	S149	T130-S149 VanDerWaalsContact CG2-CB 3.4Å; T130-S149 WeakPolarHBondContact CG2-OG 3.41Å
131	V	81.3	Confident	70.7	Confident	5 Å²	5	74.1 Å²	74.1	3%	0.03	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-84.8	126.9	175	-172.6	0	0	0	0	108.7	P62 S133 K150 L152 V397 Q398	P62-V131 HydrophobicContact CG-CB 4.24Å; P62-V131 HydrophobicContact CG-CG1 3.84Å; P62-V131 HydrophobicContact CG-CG2 3.55Å; V131-S133 PolarHBondContact O-N 3.42Å; V131-K150 WeakPolarHBondContact CG2-O 3.45Å; V131-K150 PolarHBondContact N-O 3.1Å; V131-L152 HydrophobicContact CG2-CD1 3.49Å; V131-L152 VanDerWaalsContact CG2-CD1 3.49Å; V131-L152 HydrophobicContact CG2-CG 3.62Å; V131-V397 HydrophobicContact CB-CG1 4.49Å; V131-V397 HydrophobicContact CG1-CG1 4.06Å; V131-V397 HydrophobicContact CG2-CG1 3.96Å; V131-Q398 HydrophobicContact CG1-CG 4.12Å
132	P	73.4	Confident	67.7	Low	36 Å²	36	74.2 Å²	74.2	23%	0.234	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-56.9	135	174.3	-27.7	39.2	0	0	0	111.3	Q398 I567	P132-Q398 PolarHBondContact O-NE2 3.13Å; P132-Q398 VanDerWaalsContact O-NE2 3.13Å; P132-I567 HydrophobicContact CG-CG2 4.14Å
133	S	64.3	Low	64.4	Low	33 Å²	33	76.1 Å²	76.1	23%	0.231	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-64.5	159.3	173.5	52.8	0	0	0	0	110.6	V131 S135 D145	V131-S133 PolarHBondContact O-N 3.42Å; S133-S135 PolarHBondContact O-N 3.06Å; S133-D145 WeakPolarHBondContact CB-O 3.31Å; S133-D145 PolarHBondContact OG-O 3.14Å
134	K	56.9	Low	61.4	Low	161 Å²	161	78.1 Å²	78.1	70%	0.7	44%	0.443	S	S	*	.			trans	-45.7	114	-178.1	-92.9	176.2	177.2	-177	0	110.8	G59 E136	G59-K134 VanDerWaalsContact O-CA 3.28Å; G59-K134 WeakPolarHBondContact O-CA 3.45Å; G59-K134 WeakPolarHBondContact O-CG 3.4Å; K134-E136 PolarHBondContact O-N 3.46Å
135	S	50.6	Low	58.3	Low	53 Å²	53	81.8 Å²	81.8	37%	0.371	46%	0.455	S	S	.	.			trans	-65.8	101.6	166	62	0	0	0	0	106.8	H55 S133 I137	H55-S135 PolarHBondContact ND1-OG 3.19Å; S133-S135 PolarHBondContact O-N 3.06Å; S135-I137 PolarHBondContact O-N 3.42Å
136	E	39.3	Very low	55.5	Low	149 Å²	149	85.7 Å²	85.7	70%	0.696	47%	0.474	S	S	*	.			trans	-57.3	138.4	163.5	-73	-170.9	159.4	0	0	108	K134 C138	K134-E136 PolarHBondContact O-N 3.46Å; E136-C138 PolarHBondContact O-N 3.33Å
137	I	39.8	Very low	52.7	Low	118 Å²	118	86.9 Å²	86.9	61%	0.605	49%	0.49	S	S	*	.			trans	-47	116.3	178	-63.1	168	0	0	0	107.5	S135 S139	S135-I137 PolarHBondContact O-N 3.42Å; I137-S139 PolarHBondContact O-N 3.05Å
138	C	35	Very low	50.5	Low	97 Å²	97	91.5 Å²	91.5	66%	0.655	51%	0.514	S	S	*	.			trans	-54.8	92.4	-172.4	-83.4	0	0	0	0	112	E136	E136-C138 PolarHBondContact O-N 3.33Å
139	S	28.4	Very low	48.8	Very low	98 Å²	98	93 Å²	93	69%	0.685	52%	0.524	S	S	*	.			trans	-82.7	130.1	139.2	68.4	0	0	0	0	106.6	I137 N141	I137-S139 PolarHBondContact O-N 3.05Å; S139-N141 PolarHBondContact O-N 2.71Å
140	Q	29.7	Very low	48	Very low	179 Å²	179	98.1 Å²	98.1	84%	0.836	55%	0.547	S	S	*	.	S	Bend	trans	-45.3	130.1	-165.3	-64.4	171.4	-14.5	0	0	112.9
141	N	29.3	Very low	48	Very low	163 Å²	163	100.4 Å²	100.4	87%	0.872	55%	0.553	S	S	*	*			trans	85.9	83.1	176.5	-48.1	-35.2	0	0	0	115.7	S139	S139-N141 PolarHBondContact O-N 2.71Å
142	V	32.6	Very low	48.4	Very low	86 Å²	86	102.2 Å²	102.2	52%	0.521	56%	0.562	S	S	.	*			trans	-121.7	114.4	162.6	-177.2	0	0	0	0	109.2
143	T	28.3	Very low	49.5	Very low	131 Å²	131	101 Å²	101	80%	0.804	56%	0.555	S	S	*	*			trans	-69	120.9	158.6	40.6	0	0	0	0	107.8	D145	T143-D145 PolarHBondContact O-N 2.89Å
144	V	35.5	Very low	51	Low	91 Å²	91	99.5 Å²	99.5	55%	0.552	54%	0.544	S	S	*	.			trans	-56.4	106.1	176.6	-172.8	0	0	0	0	108.9	N146	V144-N146 WeakPolarHBondContact CG1-OD1 3.47Å; V144-N146 PolarHBondContact O-N 3.29Å
145	D	32.5	Very low	52.9	Low	112 Å²	112	92.8 Å²	92.8	60%	0.599	51%	0.514	S	S	*	.			trans	-77.5	101.4	174.6	-163.9	-15.6	0	0	0	107.9	S133 T143 S147	S133-D145 WeakPolarHBondContact CB-O 3.31Å; S133-D145 PolarHBondContact OG-O 3.14Å; T143-D145 PolarHBondContact O-N 2.89Å; D145-S147 PolarHBondContact O-N 2.84Å; D145-S147 WeakPolarHBondContact OD1-CB 3.4Å; D145-S147 PolarHBondContact OD1-N 2.98Å; D145-S147 PolarHBondContact OD1-OG 3.15Å
146	N	39.3	Very low	55.1	Low	93 Å²	93	90.3 Å²	90.3	50%	0.497	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-80.6	4.8	-175.7	-80.6	-25.3	0	0	0	113.6	V144 D148 S149	V144-N146 WeakPolarHBondContact CG1-OD1 3.47Å; V144-N146 PolarHBondContact O-N 3.29Å; N146-D148 VanDerWaalsContact C-N 3.27Å; N146-D148 PolarHBondContact O-N 3.21Å; N146-S149 WeakPolarHBondContact O-CB 3.13Å; N146-S149 PolarHBondContact O-N 3.12Å; N146-S149 PolarHBondContact O-OG 3.23Å
147	S	37	Very low	57.8	Low	92 Å²	92	83.2 Å²	83.2	64%	0.643	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-64	-25.9	-172	49.8	0	0	0	0	114.6	D145	D145-S147 PolarHBondContact O-N 2.84Å; D145-S147 WeakPolarHBondContact OD1-CB 3.4Å; D145-S147 PolarHBondContact OD1-N 2.98Å; D145-S147 PolarHBondContact OD1-OG 3.15Å
148	D	50	Low	60.5	Low	148 Å²	148	77.8 Å²	77.8	79%	0.791	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-106.5	16.7	177	-84.5	-19	0	0	0	113.9	N146 K150	N146-D148 VanDerWaalsContact C-N 3.27Å; N146-D148 PolarHBondContact O-N 3.21Å; D148-K150 PolarHBondContact O-N 3.2Å; D148-K150 VanDerWaalsContact O-N 3.16Å
149	S	59	Low	63.4	Low	40 Å²	40	73.3 Å²	73.3	28%	0.28	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-67.4	116.1	-173.9	59.4	0	0	0	0	112.6	T130 N146	T130-S149 VanDerWaalsContact CG2-CB 3.4Å; T130-S149 WeakPolarHBondContact CG2-OG 3.41Å; N146-S149 WeakPolarHBondContact O-CB 3.13Å; N146-S149 PolarHBondContact O-N 3.12Å; N146-S149 PolarHBondContact O-OG 3.23Å
150	K	77.5	Confident	66.6	Low	114 Å²	114	68.9 Å²	68.9	50%	0.496	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-71.5	138.1	174.4	-79.5	-178	177.2	174.3	0	109.9	N61 V131 D148	N61-K150 PolarHBondContact OD1-NZ 3.35Å; V131-K150 WeakPolarHBondContact CG2-O 3.45Å; V131-K150 PolarHBondContact N-O 3.1Å; D148-K150 PolarHBondContact O-N 3.2Å; D148-K150 VanDerWaalsContact O-N 3.16Å
151	Q	87.7	Confident	69.8	Low	110 Å²	110	63.8 Å²	63.8	51%	0.514	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	134.9	168.9	-69.2	-167.7	-38	0	0	110.2	W108 V129	W108-Q151 HydrophobicContact CH2-CB 3.64Å; W108-Q151 HydrophobicContact CZ3-CB 4.33Å; V129-Q151 WeakPolarHBondContact O-CA 3.08Å
152	L	91.1	Very high	73	Confident	42 Å²	42	57.4 Å²	57.4	22%	0.22	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.5	173.3	-70.8	176	0	0	0	109.9	P62 S128 V129 V131 V397	P62-L152 HydrophobicContact CB-CD1 3.84Å; P62-L152 HydrophobicContact CB-CD2 4.3Å; P62-L152 HydrophobicContact CG-CD1 3.58Å; P62-L152 HydrophobicContact CG-CD2 4.08Å; P62-L152 HydrophobicContact CG-CG 4.08Å; S128-L152 CarbonylContact C-O 3.52Å; S128-L152 WeakPolarHBondContact CA-O 3.18Å; S128-L152 WeakPolarHBondContact CB-O 3.49Å; V129-L152 HydrophobicContact CG2-CB 3.94Å; V129-L152 PolarHBondContact N-O 2.93Å; V129-L152 PolarHBondContact O-N 3.25Å; V131-L152 HydrophobicContact CG2-CD1 3.49Å; V131-L152 VanDerWaalsContact CG2-CD1 3.49Å; V131-L152 HydrophobicContact CG2-CG 3.62Å; L152-V397 HydrophobicContact CD1-CB 4.19Å; L152-V397 HydrophobicContact CD1-CG1 3.89Å; L152-V397 HydrophobicContact CD1-CG2 3.83Å
153	P	95.5	Very high	76.1	Confident	12 Å²	12	58 Å²	58	8%	0.078	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	143	176.4	27.7	-33.6	0	0	0	111.5	P102 W108 N127 Y155 F269	P102-P153 HydrophobicContact CG-CB 3.43Å; P102-P153 VanDerWaalsContact CG-CB 3.43Å; P102-P153 HydrophobicContact CG-CG 3.84Å; W108-P153 HydrophobicContact CB-CB 4.4Å; W108-P153 HydrophobicContact CD2-CB 4Å; W108-P153 HydrophobicContact CG-CB 3.83Å; N127-P153 WeakPolarHBondContact O-CA 3.19Å; P153-Y155 WeakPolarHBondContact O-CD1 3.48Å; P153-F269 WeakPolarHBondContact O-CE1 3.47Å
154	V	96.4	Very high	79.4	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.302	C	S	.	.			trans	-85.2	128.6	-179.3	175.1	0	0	0	0	110	N109 N127 V129 P267 F269 Q311 P312	N109-V154 PolarHBondContact ND2-O 2.81Å; N127-V154 PolarHBondContact O-N 2.77Å; V129-V154 HydrophobicContact CG1-CG2 3.93Å; V154-P267 HydrophobicContact CB-CG 4.23Å; V154-P267 HydrophobicContact CG1-CB 3.53Å; V154-P267 HydrophobicContact CG1-CG 3.68Å; V154-P267 HydrophobicContact CG2-CB 4.27Å; V154-P267 HydrophobicContact CG2-CG 3.44Å; V154-P267 VanDerWaalsContact CG2-CG 3.44Å; V154-F269 HydrophobicContact CG2-CZ 4.24Å; V154-Q311 PolarHBondContact O-NE2 2.81Å; V154-P312 HydrophobicContact CG1-CB 4.37Å; V154-P312 HydrophobicContact CG1-CG 3.7Å
155	Y	97.1	Very high	82.3	Confident	21 Å²	21	51.8 Å²	51.8	8%	0.082	29%	0.291	C	S	.	.			trans	-158.3	164.2	178.4	71	-74.7	0	0	0	113	G101 P153 A157 F269 N356 W396	G101-Y155 VanDerWaalsContact CA-CE2 3.48Å; P153-Y155 WeakPolarHBondContact O-CD1 3.48Å; Y155-A157 HydrophobicContact CD2-CB 4.48Å; Y155-A157 HydrophobicContact CE2-CB 3.98Å; Y155-F269 HydrophobicContact CD1-CD1 4.28Å; Y155-F269 HydrophobicContact CD1-CE1 4.11Å; Y155-F269 HydrophobicContact CE1-CD1 4.35Å; Y155-F269 HydrophobicContact CE1-CE1 4.31Å; Y155-N356 WeakPolarHBondContact CB-OD1 3.32Å; Y155-W396 HydrophobicContact CE1-CZ3 4.35Å; Y155-W396 HydrophobicContact CE2-CZ3 4.32Å; Y155-W396 AromaticContact CZ-CZ3 3.79Å; Y155-W396 WeakPolarHBondContact OH-CZ3 3.46Å
156	Q	96.9	Very high	85.4	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.264	C	S	.	.			trans	-102	122.4	159.7	-68.7	-62.1	-26.7	0	0	109	S159 R212 V268 G270 M272 V310 P312 N356	Q156-S159 VanDerWaalsContact O-CB 3.31Å; Q156-S159 WeakPolarHBondContact O-CB 3.47Å; Q156-S159 PolarHBondContact O-N 2.66Å; Q156-S159 VanDerWaalsContact O-N 3.13Å; Q156-R212 VanDerWaalsContact OE1-NE 3.13Å; Q156-V268 PolarHBondContact NE2-O 2.89Å; Q156-G270 CarbonylContact C-O 3.47Å; Q156-G270 WeakPolarHBondContact CA-O 3.29Å; Q156-G270 PolarHBondContact OE1-O 3.2Å; Q156-M272 HydrophobicContact CB-CG 4.21Å; Q156-M272 HydrophobicContact CB-SD 4.11Å; Q156-M272 HydrophobicContact CG-SD 4.16Å; Q156-V310 HydrophobicContact CG-CG1 4.42Å; Q156-P312 HydrophobicContact CG-CG 3.94Å; Q156-N356 PolarHBondContact O-ND2 2.86Å
157	A	95.3	Very high	88.1	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-60.4	144.8	171.8	0	0	0	0	0	109.9	P99 Y155 S159 G270 H271 M272 W396 F441	P99-A157 HydrophobicContact CG-CB 4.37Å; Y155-A157 HydrophobicContact CD2-CB 4.48Å; Y155-A157 HydrophobicContact CE2-CB 3.98Å; A157-S159 PolarHBondContact O-N 3.28Å; A157-G270 PolarHBondContact N-O 3.29Å; A157-H271 HydrophobicContact CB-CB 4.05Å; A157-H271 CarbonylContact O-C 3.58Å; A157-H271 WeakPolarHBondContact O-CA 3.35Å; A157-M272 PolarHBondContact O-N 3.43Å; A157-W396 HydrophobicContact CB-CH2 3.9Å; A157-F441 HydrophobicContact CB-CD1 4.03Å; A157-F441 HydrophobicContact CB-CE1 3.9Å
158	Y	95.5	Very high	91	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.016	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	-1.5	-170.4	-60.1	-99.6	0	0	0	116	P99 C160 H271 N273 L299 A304 L305 T306 F441	P99-Y158 HydrophobicContact CB-CD1 4.15Å; P99-Y158 HydrophobicContact CB-CD2 4.13Å; P99-Y158 HydrophobicContact CB-CE1 4.46Å; P99-Y158 HydrophobicContact CB-CE2 4.45Å; P99-Y158 HydrophobicContact CB-CG 3.96Å; P99-Y158 HydrophobicContact CG-CD1 3.82Å; P99-Y158 HydrophobicContact CG-CD2 3.34Å; P99-Y158 HydrophobicContact CG-CE1 3.76Å; P99-Y158 HydrophobicContact CG-CE2 3.27Å; P99-Y158 HydrophobicContact CG-CG 3.62Å; P99-Y158 VanDerWaalsContact CG-CZ 3.49Å; Y158-C160 PolarHBondContact O-N 3.28Å; Y158-H271 HydrophobicContact CD2-CB 3.99Å; Y158-H271 HydrophobicContact CE2-CB 4.22Å; Y158-N273 HydrophobicContact CD1-CB 4.01Å; Y158-N273 HydrophobicContact CD2-CB 4.02Å; Y158-N273 HydrophobicContact CE1-CB 3.85Å; Y158-N273 HydrophobicContact CE2-CB 3.85Å; Y158-N273 HydrophobicContact CG-CB 4.1Å; Y158-L299 HydrophobicContact CD1-CD1 4.29Å; Y158-L299 HydrophobicContact CE1-CD1 4.15Å; Y158-L299 HydrophobicContact CE1-CD2 4.44Å; Y158-A304 WeakPolarHBondContact CD1-O 3.12Å; Y158-L305 HydrophobicContact CD1-CD2 4.26Å; Y158-L305 VanDerWaalsContact O-CA 3.27Å; Y158-L305 WeakPolarHBondContact O-CA 3.22Å; Y158-L305 WeakPolarHBondContact O-CB 3.47Å; Y158-L305 WeakPolarHBondContact O-CD2 3.15Å; Y158-T306 PolarHBondContact O-N 3.18Å; Y158-F441 WeakPolarHBondContact CE2-O 3.11Å; Y158-F441 PolarHBondContact OH-O 3.36Å
159	S	97.1	Very high	93.3	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.028	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-65.5	129.7	168	174	0	0	0	0	110.1	Q156 A157 T306 V310 N356	Q156-S159 VanDerWaalsContact O-CB 3.31Å; Q156-S159 WeakPolarHBondContact O-CB 3.47Å; Q156-S159 PolarHBondContact O-N 2.66Å; Q156-S159 VanDerWaalsContact O-N 3.13Å; A157-S159 PolarHBondContact O-N 3.28Å; S159-T306 WeakPolarHBondContact CA-OG1 3.2Å; S159-V310 VanDerWaalsContact CB-O 3.32Å; S159-V310 WeakPolarHBondContact CB-O 3.43Å; S159-V310 PolarHBondContact OG-N 3.42Å; S159-V310 PolarHBondContact OG-O 2.78Å; S159-V310 VanDerWaalsContact OG-O 3.11Å; S159-N356 PolarHBondContact O-ND2 3.12Å
160	C	95.8	Very high	95.1	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.034	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-63.6	150	172.8	73.6	0	0	0	0	110.9	Y158 Q301 L305 T306 P309 V354	Y158-C160 PolarHBondContact O-N 3.28Å; C160-Q301 HydrophobicContact CB-CG 4.1Å; C160-L305 HydrophobicContact CB-CB 4.47Å; C160-T306 WeakPolarHBondContact CB-O 3.44Å; C160-T306 PolarHBondContact N-OG1 3.27Å; C160-P309 VanDerWaalsContact SG-N 3.39Å; C160-V354 WeakPolarHBondContact O-CG1 3.41Å
161	S	96.2	Very high	96	Very high	72 Å²	72	27.4 Å²	27.4	50%	0.503	15%	0.151	S	C	.	.	P	Polyproline II helix	trans	-75	156.1	168.5	53.3	0	0	0	0	110.7	V354	S161-V354 CarbonylContact C-O 3.58Å; S161-V354 WeakPolarHBondContact CA-O 3.26Å; S161-V354 WeakPolarHBondContact CB-O 3.44Å
162	G	96.5	Very high	96.5	Very high	29 Å²	29	22.3 Å²	22.3	30%	0.299	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	160.4	168.5	179.7	0	0	0	0	0	113.3	V354	G162-V354 PolarHBondContact N-O 3.13Å; G162-V354 PolarHBondContact O-N 2.96Å
163	V	97.6	Very high	96.8	Very high	98 Å²	98	21 Å²	21	59%	0.594	12%	0.119	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.8	174.3	-178.9	0	0	0	0	108	V352 V353	V163-V352 CarbonylContact C-O 3.4Å; V163-V352 WeakPolarHBondContact CA-O 3.29Å; V163-V353 HydrophobicContact CG1-CG2 4.29Å; V163-V353 HydrophobicContact CG2-CG1 4.17Å; V163-V353 HydrophobicContact CG2-CG2 4.37Å
164	S	97.3	Very high	96.9	Very high	16 Å²	16	20.4 Å²	20.4	11%	0.112	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	141.7	175.8	-62.3	0	0	0	0	110	G238 K351 V352	S164-G238 PolarHBondContact OG-O 3.08Å; S164-K351 CarbonylContact O-C 3.59Å; S164-K351 WeakPolarHBondContact O-CA 3.48Å; S164-V352 PolarHBondContact N-O 2.8Å; S164-V352 PolarHBondContact O-N 2.76Å
165	F	97.5	Very high	96.8	Very high	76 Å²	76	23.3 Å²	23.3	33%	0.333	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	124.4	177.8	-177.7	-102.9	0	0	0	108.8	T114 C349 L350 K351	T114-F165 WeakPolarHBondContact OG1-CE2 3.39Å; F165-C349 HydrophobicContact CD2-CB 4.27Å; F165-C349 HydrophobicContact CE1-CB 4.05Å; F165-C349 HydrophobicContact CE2-CB 3.56Å; F165-C349 HydrophobicContact CZ-CB 3.43Å; F165-C349 VanDerWaalsContact CZ-CB 3.43Å; F165-L350 WeakPolarHBondContact CA-O 3.28Å; F165-K351 HydrophobicContact CD2-CB 3.97Å; F165-K351 HydrophobicContact CD2-CG 4.46Å
166	G	96.9	Very high	96.6	Very high	2 Å²	2	28.1 Å²	28.1	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	167.5	-176.5	0	0	0	0	0	115.4	N200 C349 L350	G166-N200 CarbonylContact C-O 3.48Å; G166-N200 WeakPolarHBondContact CA-O 3.36Å; G166-C349 CarbonylContact O-C 3.58Å; G166-C349 WeakPolarHBondContact O-CA 3.29Å; G166-C349 WeakPolarHBondContact O-CB 3.08Å; G166-L350 PolarHBondContact N-O 2.95Å; G166-L350 PolarHBondContact O-N 3.45Å
167	Y	97.3	Very high	96.4	Very high	84 Å²	84	34.3 Å²	34.3	33%	0.329	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	146.5	176.2	-59	-81.1	0	0	0	111	N200 L201 I202 S345 T346 T348 C349	Y167-N200 PolarHBondContact N-O 3.43Å; Y167-L201 CarbonylContact O-C 3.45Å; Y167-L201 VanDerWaalsContact O-CA 3.26Å; Y167-L201 WeakPolarHBondContact O-CA 3.47Å; Y167-I202 PolarHBondContact O-N 3.05Å; Y167-S345 WeakPolarHBondContact CD1-O 3.25Å; Y167-T346 WeakPolarHBondContact CE1-O 3.4Å; Y167-T348 WeakPolarHBondContact CD1-O 3.35Å; Y167-C349 VanDerWaalsContact CD1-SG 3.58Å; Y167-C349 VanDerWaalsContact CE1-SG 3.58Å
168	L	97.3	Very high	96.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	136	-174.9	-172.7	62.5	0	0	0	111.4	I202 I204 F321 L325 P344 S345 L350	L168-I202 CarbonylContact C-O 3.56Å; L168-I202 WeakPolarHBondContact CA-O 3.29Å; L168-I202 WeakPolarHBondContact CD1-O 3.48Å; L168-I204 HydrophobicContact CD1-CB 3.82Å; L168-I204 HydrophobicContact CD1-CG2 3.55Å; L168-I204 HydrophobicContact CD2-CG2 4.18Å; L168-I204 HydrophobicContact CG-CG2 3.9Å; L168-F321 HydrophobicContact CD2-CB 3.76Å; L168-F321 VanDerWaalsContact CD2-O 3.31Å; L168-F321 WeakPolarHBondContact CD2-O 3.41Å; L168-L325 HydrophobicContact CB-CD2 3.87Å; L168-L325 HydrophobicContact CD2-CD2 3.97Å; L168-L325 HydrophobicContact CD2-CG 4.26Å; L168-L325 HydrophobicContact CG-CD2 3.8Å; L168-L325 WeakPolarHBondContact O-CD2 3.39Å; L168-P344 CarbonylContact O-C 3.13Å; L168-P344 WeakPolarHBondContact O-CA 3.35Å; L168-S345 PolarHBondContact N-OG 2.98Å; L168-S345 PolarHBondContact O-N 3.44Å; L168-L350 HydrophobicContact CD1-CD1 3.49Å; L168-L350 VanDerWaalsContact CD1-CD1 3.49Å; L168-L350 HydrophobicContact CD1-CG 4.2Å; L168-L350 HydrophobicContact CG-CD1 4.45Å
169	V	97.4	Very high	96.4	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	142.9	168.6	-67.6	0	0	0	0	111.3	F182 I196 L201 I202 V203 I204 L342 P344	V169-F182 HydrophobicContact CB-CE2 4.34Å; V169-F182 HydrophobicContact CB-CZ 4.32Å; V169-F182 HydrophobicContact CG1-CZ 4.37Å; V169-I196 HydrophobicContact CG2-CG1 4.43Å; V169-L201 HydrophobicContact CG1-CD1 4.1Å; V169-L201 HydrophobicContact CG1-CD2 4.25Å; V169-L201 HydrophobicContact CG2-CB 4.49Å; V169-L201 HydrophobicContact CG2-CD1 4.48Å; V169-I202 PolarHBondContact N-O 3.3Å; V169-V203 HydrophobicContact CG2-CB 4.4Å; V169-V203 HydrophobicContact CG2-CG2 3.74Å; V169-V203 WeakPolarHBondContact O-CA 3.2Å; V169-I204 WeakPolarHBondContact O-CG2 3.43Å; V169-I204 PolarHBondContact O-N 3.04Å; V169-L342 WeakPolarHBondContact CA-O 3.22Å; V169-P344 HydrophobicContact CG1-CB 3.92Å
170	F	98	Very high	96.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	133.1	178.2	174	-111.8	0	0	0	111.8	N172 F182 I204 R206 Y243 L322 L325 I330 W334 T336 A339 L342	F170-N172 HydrophobicContact CE1-CB 4.45Å; F170-N172 VanDerWaalsContact CZ-CA 3.48Å; F170-N172 HydrophobicContact CZ-CB 4.32Å; F170-F182 WeakPolarHBondContact O-CD2 3.27Å; F170-I204 HydrophobicContact CB-CG2 4.21Å; F170-I204 HydrophobicContact CD2-CG2 4.27Å; F170-I204 WeakPolarHBondContact CD2-O 3.49Å; F170-R206 HydrophobicContact CE2-CG 4.06Å; F170-R206 HydrophobicContact CZ-CG 4.25Å; F170-Y243 HydrophobicContact CE2-CE1 4.22Å; F170-Y243 WeakPolarHBondContact CE2-OH 3.41Å; F170-L322 HydrophobicContact CB-CD2 4.13Å; F170-L322 HydrophobicContact CD2-CD2 3.86Å; F170-L322 HydrophobicContact CG-CD2 4.16Å; F170-L325 HydrophobicContact CB-CD1 3.58Å; F170-I330 HydrophobicContact CD1-CG2 3.98Å; F170-I330 HydrophobicContact CE1-CG2 4.12Å; F170-W334 HydrophobicContact CD1-CE3 4.25Å; F170-W334 HydrophobicContact CD1-CZ3 4.05Å; F170-W334 AromaticContact CE1-CE3 3.75Å; F170-W334 HydrophobicContact CE1-CE3 3.75Å; F170-W334 AromaticContact CE1-CZ3 3.97Å; F170-W334 HydrophobicContact CE1-CZ3 3.97Å; F170-T336 HydrophobicContact CE1-CG2 4.31Å; F170-T336 HydrophobicContact CZ-CG2 4.28Å; F170-A339 HydrophobicContact CD1-CB 3.62Å; F170-A339 HydrophobicContact CD2-CB 4.27Å; F170-A339 HydrophobicContact CE1-CB 3.54Å; F170-A339 HydrophobicContact CE2-CB 4.2Å; F170-A339 HydrophobicContact CG-CB 3.98Å; F170-A339 HydrophobicContact CZ-CB 3.83Å; F170-L342 PolarHBondContact N-O 3.14Å
171	V	96.8	Very high	96.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.			trans	-128.7	26.1	-173.8	-59.1	0	0	0	0	113.8	Y173 A174 L179 F182 I196 V203 I204 A205	V171-Y173 PolarHBondContact O-N 3.03Å; V171-A174 HydrophobicContact CG2-CB 3.87Å; V171-A174 PolarHBondContact O-N 3.43Å; V171-L179 HydrophobicContact CB-CD2 3.98Å; V171-L179 HydrophobicContact CG1-CD2 4.14Å; V171-L179 HydrophobicContact CG2-CD2 4.39Å; V171-F182 HydrophobicContact CG1-CD2 4.1Å; V171-F182 HydrophobicContact CG1-CE2 4.33Å; V171-I196 HydrophobicContact CG1-CD1 3.58Å; V171-I196 HydrophobicContact CG1-CG1 4.35Å; V171-V203 HydrophobicContact CB-CG1 4.3Å; V171-V203 HydrophobicContact CG1-CG1 3.96Å; V171-V203 HydrophobicContact CG2-CG1 3.34Å; V171-I204 PolarHBondContact N-O 3.46Å; V171-A205 HydrophobicContact CG2-CB 3.92Å
172	N	97.4	Very high	96.1	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.011	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	-123.7	-176.5	-162	10.7	0	0	0	111.7	F170 A174 D178 A205 R206 W334	F170-N172 HydrophobicContact CE1-CB 4.45Å; F170-N172 VanDerWaalsContact CZ-CA 3.48Å; F170-N172 HydrophobicContact CZ-CB 4.32Å; N172-A174 VanDerWaalsContact C-N 3.33Å; N172-D178 HydrophobicContact CB-CB 4.18Å; N172-A205 CarbonylContact O-C 3.38Å; N172-A205 VanDerWaalsContact O-CA 3.26Å; N172-A205 WeakPolarHBondContact O-CA 2.94Å; N172-A205 WeakPolarHBondContact O-CB 3.36Å; N172-R206 PolarHBondContact O-N 3.46Å; N172-R206 WeakPolarHBondContact OD1-CD 3.4Å; N172-W334 HydrophobicContact CB-CD2 3.57Å; N172-W334 HydrophobicContact CB-CE3 3.56Å; N172-W334 HydrophobicContact CB-CG 4.19Å; N172-W334 HydrophobicContact CB-CH2 3.91Å; N172-W334 HydrophobicContact CB-CZ2 3.96Å; N172-W334 HydrophobicContact CB-CZ3 3.7Å; N172-W334 VanDerWaalsContact ND2-CD1 3.29Å; N172-W334 PolarHBondContact ND2-NE1 3.02Å
173	Y	96.7	Very high	96	Very high	15 Å²	15	35.3 Å²	35.3	6%	0.059	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	7.2	178.4	-60.9	-75.8	0	0	0	113.9	V171 R175 D178 R206 G208 N209 K215 D248	V171-Y173 PolarHBondContact O-N 3.03Å; Y173-R175 PolarHBondContact O-N 3.3Å; Y173-D178 PolarHBondContact N-OD2 3Å; Y173-R206 HydrophobicContact CD1-CB 3.41Å; Y173-R206 VanDerWaalsContact CD1-CB 3.41Å; Y173-R206 HydrophobicContact CD1-CG 4.38Å; Y173-R206 HydrophobicContact CE1-CB 3.62Å; Y173-R206 HydrophobicContact CE1-CG 4.39Å; Y173-R206 HydrophobicContact CG-CB 4.22Å; Y173-R206 VanDerWaalsContact CZ-NE 3.3Å; Y173-R206 PolarHBondContact OH-NH1 3.34Å; Y173-R206 PolarHBondContact OH-NH2 2.92Å; Y173-G208 VanDerWaalsContact CD1-C 3.5Å; Y173-G208 WeakPolarHBondContact CD1-O 3.38Å; Y173-N209 HydrophobicContact CD1-CB 3.77Å; Y173-N209 HydrophobicContact CD2-CB 4.14Å; Y173-N209 HydrophobicContact CE1-CB 3.79Å; Y173-N209 HydrophobicContact CE2-CB 4.17Å; Y173-N209 HydrophobicContact CG-CB 3.9Å; Y173-N209 PolarHBondContact OH-ND2 3.28Å; Y173-K215 WeakPolarHBondContact O-CG 3.36Å; Y173-K215 PolarHBondContact O-NZ 3.38Å; Y173-D248 VanDerWaalsContact CE1-OD2 3.24Å; Y173-D248 WeakPolarHBondContact CE1-OD2 3.5Å; Y173-D248 PolarHBondContact OH-OD1 3.27Å; Y173-D248 PolarHBondContact OH-OD2 2.83Å
174	A	97	Very high	95.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	17%	0.169	C	C	.	.			trans	53.9	31.7	-175.4	0	0	0	0	0	114	V171 N172 A205 K215 N218	V171-A174 HydrophobicContact CG2-CB 3.87Å; V171-A174 PolarHBondContact O-N 3.43Å; N172-A174 VanDerWaalsContact C-N 3.33Å; A174-A205 HydrophobicContact CB-CB 4.11Å; A174-K215 HydrophobicContact CB-CB 3.98Å; A174-K215 HydrophobicContact CB-CG 4.28Å; A174-N218 VanDerWaalsContact O-CB 3.29Å; A174-N218 WeakPolarHBondContact O-CB 3.48Å; A174-N218 PolarHBondContact O-ND2 3.34Å
175	R	95.3	Very high	95.6	Very high	60 Å²	60	40.7 Å²	40.7	23%	0.226	18%	0.179	C	C	.	.			trans	-75.7	154.7	170.5	-56.8	167.9	-62	-166.1	-2.2	108.4	Y173 K177 D178 L179	Y173-R175 PolarHBondContact O-N 3.3Å; R175-K177 HydrophobicContact CB-CG 4.14Å; R175-K177 VanDerWaalsContact NE-CE 3.33Å; R175-K177 PolarHBondContact O-N 3.06Å; R175-D178 WeakPolarHBondContact CB-OD2 3.35Å; R175-D178 WeakPolarHBondContact CG-OD2 3.36Å; R175-D178 IonicContact CZ-OD1 2.8Å; R175-D178 IonicContact CZ-OD2 3.79Å; R175-D178 PolarHBondContact N-OD2 3.33Å; R175-D178 IonicContact NE-OD1 3.18Å; R175-D178 PolarHBondContact NE-OD1 2.97Å; R175-D178 IonicContact NE-OD2 3.85Å; R175-D178 PolarHBondContact NE-OD2 2.96Å; R175-D178 IonicContact NH2-OD1 2.81Å; R175-D178 PolarHBondContact NH2-OD1 3.46Å; R175-D178 IonicContact NH2-OD2 2.67Å; R175-D178 PolarHBondContact NH2-OD2 3.47Å; R175-D178 WeakPolarHBondContact O-CA 3.45Å; R175-D178 WeakPolarHBondContact O-CB 3.34Å; R175-D178 PolarHBondContact O-N 3.29Å; R175-L179 PolarHBondContact O-N 3.39Å
176	R	92.2	Very high	95.4	Very high	123 Å²	123	38.6 Å²	38.6	46%	0.464	17%	0.171	S	C	.	.	H	α-helix	trans	-48.4	-41.1	174.9	-171.4	177.5	-177.3	87.6	5.4	113.2	D178 L179 L180	R176-D178 VanDerWaalsContact C-N 3.34Å; R176-L179 PolarHBondContact O-N 2.97Å; R176-L180 HydrophobicContact CG-CD1 4.25Å; R176-L180 VanDerWaalsContact O-CG 3.26Å; R176-L180 WeakPolarHBondContact O-CG 3.25Å; R176-L180 PolarHBondContact O-N 3.15Å
177	K	93.4	Very high	95.1	Very high	130 Å²	130	41 Å²	41	57%	0.565	20%	0.195	S	C	*	.	H	α-helix	trans	-66.3	-33.6	176.5	66.4	174.8	-174.5	169.7	0	113.4	R175 L181	R175-K177 HydrophobicContact CB-CG 4.14Å; R175-K177 VanDerWaalsContact NE-CE 3.33Å; R175-K177 PolarHBondContact O-N 3.06Å; K177-L181 WeakPolarHBondContact O-CB 3.35Å; K177-L181 PolarHBondContact O-N 2.97Å; K177-L181 VanDerWaalsContact O-N 3.08Å
178	D	96.2	Very high	94.6	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-71	-42.9	178.6	-52.6	-32.5	0	0	0	109.8	N172 Y173 R175 R176 L181 F182 W334	N172-D178 HydrophobicContact CB-CB 4.18Å; Y173-D178 PolarHBondContact N-OD2 3Å; R175-D178 WeakPolarHBondContact CB-OD2 3.35Å; R175-D178 WeakPolarHBondContact CG-OD2 3.36Å; R175-D178 IonicContact CZ-OD1 2.8Å; R175-D178 IonicContact CZ-OD2 3.79Å; R175-D178 PolarHBondContact N-OD2 3.33Å; R175-D178 IonicContact NE-OD1 3.18Å; R175-D178 PolarHBondContact NE-OD1 2.97Å; R175-D178 IonicContact NE-OD2 3.85Å; R175-D178 PolarHBondContact NE-OD2 2.96Å; R175-D178 IonicContact NH2-OD1 2.81Å; R175-D178 PolarHBondContact NH2-OD1 3.46Å; R175-D178 IonicContact NH2-OD2 2.67Å; R175-D178 PolarHBondContact NH2-OD2 3.47Å; R175-D178 WeakPolarHBondContact O-CA 3.45Å; R175-D178 WeakPolarHBondContact O-CB 3.34Å; R175-D178 PolarHBondContact O-N 3.29Å; R176-D178 VanDerWaalsContact C-N 3.34Å; D178-L181 PolarHBondContact O-N 3.23Å; D178-F182 WeakPolarHBondContact O-CB 3.29Å; D178-F182 PolarHBondContact O-N 2.95Å; D178-W334 HydrophobicContact CB-CZ2 4.02Å
179	L	95.5	Very high	94.1	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-66	-38.8	177.7	-59.8	176.3	0	0	0	112.6	V171 R175 R176 F182 D183 I196 N218 L219 H222	V171-L179 HydrophobicContact CB-CD2 3.98Å; V171-L179 HydrophobicContact CG1-CD2 4.14Å; V171-L179 HydrophobicContact CG2-CD2 4.39Å; R175-L179 PolarHBondContact O-N 3.39Å; R176-L179 PolarHBondContact O-N 2.97Å; L179-F182 WeakPolarHBondContact O-CB 3.41Å; L179-F182 PolarHBondContact O-N 3.41Å; L179-D183 PolarHBondContact O-N 3.36Å; L179-I196 HydrophobicContact CD2-CD1 3.97Å; L179-N218 HydrophobicContact CD1-CB 3.97Å; L179-N218 WeakPolarHBondContact CD1-O 3.46Å; L179-L219 HydrophobicContact CD2-CD1 4.28Å; L179-H222 HydrophobicContact CD1-CB 3.73Å
180	L	93.1	Very high	93.2	Very high	83 Å²	83	57.9 Å²	57.9	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-66.5	-37.5	173.7	-70.4	171.7	0	0	0	112.3	R176 K184	R176-L180 HydrophobicContact CG-CD1 4.25Å; R176-L180 VanDerWaalsContact O-CG 3.26Å; R176-L180 WeakPolarHBondContact O-CG 3.25Å; R176-L180 PolarHBondContact O-N 3.15Å; L180-K184 PolarHBondContact O-N 3.37Å
181	L	94.1	Very high	92.2	Very high	42 Å²	42	61.5 Å²	61.5	22%	0.22	31%	0.305	C	S	.	.	H	α-helix	trans	-70.6	-40.3	175.7	-177.1	57.1	0	0	0	111.3	K177 D178 D183 K184 L185 P331 W334	K177-L181 WeakPolarHBondContact O-CB 3.35Å; K177-L181 PolarHBondContact O-N 2.97Å; K177-L181 VanDerWaalsContact O-N 3.08Å; D178-L181 PolarHBondContact O-N 3.23Å; L181-D183 VanDerWaalsContact C-N 3.35Å; L181-D183 PolarHBondContact O-N 3.33Å; L181-K184 HydrophobicContact CD1-CD 4.41Å; L181-K184 WeakPolarHBondContact O-CB 3.46Å; L181-K184 PolarHBondContact O-N 3.07Å; L181-K184 VanDerWaalsContact O-N 3.16Å; L181-L185 HydrophobicContact CD1-CD1 4.21Å; L181-L185 HydrophobicContact CD1-CG 4.14Å; L181-L185 HydrophobicContact CG-CD1 3.98Å; L181-L185 HydrophobicContact CG-CG 4.35Å; L181-L185 WeakPolarHBondContact O-CG 3.31Å; L181-L185 PolarHBondContact O-N 3.26Å; L181-P331 HydrophobicContact CD2-CB 4.45Å; L181-P331 HydrophobicContact CD2-CG 3.86Å; L181-W334 HydrophobicContact CB-CZ2 4.34Å; L181-W334 HydrophobicContact CD2-CZ2 4.14Å; L181-W334 HydrophobicContact CG-CZ2 4.37Å
182	F	95.2	Very high	91.6	Very high	1 Å²	1	65.8 Å²	65.8	0%	0.004	33%	0.325	C	S	.	.	H	α-helix	trans	-53.4	-51.6	172.5	176.6	-84.3	0	0	0	110.9	V169 F170 V171 D178 L179 K184 L185 Q186 H195 I196 L342	V169-F182 HydrophobicContact CB-CE2 4.34Å; V169-F182 HydrophobicContact CB-CZ 4.32Å; V169-F182 HydrophobicContact CG1-CZ 4.37Å; F170-F182 WeakPolarHBondContact O-CD2 3.27Å; V171-F182 HydrophobicContact CG1-CD2 4.1Å; V171-F182 HydrophobicContact CG1-CE2 4.33Å; D178-F182 WeakPolarHBondContact O-CB 3.29Å; D178-F182 PolarHBondContact O-N 2.95Å; L179-F182 WeakPolarHBondContact O-CB 3.41Å; L179-F182 PolarHBondContact O-N 3.41Å; F182-K184 VanDerWaalsContact C-N 3.28Å; F182-K184 PolarHBondContact O-N 3Å; F182-L185 PolarHBondContact O-N 3.27Å; F182-L185 VanDerWaalsContact O-N 3.16Å; F182-Q186 HydrophobicContact CD1-CG 3.97Å; F182-Q186 HydrophobicContact CE1-CG 3.55Å; F182-Q186 HydrophobicContact CE2-CG 4.22Å; F182-Q186 HydrophobicContact CG-CG 4.45Å; F182-Q186 HydrophobicContact CZ-CG 3.7Å; F182-Q186 WeakPolarHBondContact O-CG 3.15Å; F182-Q186 PolarHBondContact O-N 2.93Å; F182-H195 HydrophobicContact CE1-CB 4.23Å; F182-I196 HydrophobicContact CD1-CD1 3.38Å; F182-I196 HydrophobicContact CD1-CG1 3.93Å; F182-I196 HydrophobicContact CD2-CD1 4.42Å; F182-I196 HydrophobicContact CE1-CD1 3.47Å; F182-I196 VanDerWaalsContact CE1-CD1 3.47Å; F182-I196 HydrophobicContact CE1-CG1 3.44Å; F182-I196 VanDerWaalsContact CE1-CG1 3.44Å; F182-I196 HydrophobicContact CE2-CD1 4.47Å; F182-I196 HydrophobicContact CG-CD1 3.91Å; F182-I196 HydrophobicContact CZ-CD1 4.03Å; F182-I196 HydrophobicContact CZ-CG1 3.83Å; F182-L342 HydrophobicContact CD2-CB 4.32Å; F182-L342 HydrophobicContact CD2-CD1 4.29Å; F182-L342 HydrophobicContact CD2-CD2 4.28Å; F182-L342 HydrophobicContact CE2-CB 4.07Å
183	D	94.2	Very high	91.1	Very high	5 Å²	5	68.8 Å²	68.8	3%	0.027	35%	0.345	C	S	.	.	H	α-helix	trans	-54.8	-44.6	177.1	-76.2	-8.1	0	0	0	112.6	L179 L181 Q186 G187 R188 S194 H222	L179-D183 PolarHBondContact O-N 3.36Å; L181-D183 VanDerWaalsContact C-N 3.35Å; L181-D183 PolarHBondContact O-N 3.33Å; D183-Q186 PolarHBondContact O-N 3.05Å; D183-G187 PolarHBondContact O-N 2.93Å; D183-R188 HydrophobicContact CB-CB 4.16Å; D183-R188 VanDerWaalsContact O-CB 3.28Å; D183-R188 WeakPolarHBondContact O-CB 3.45Å; D183-R188 PolarHBondContact O-N 3.41Å; D183-R188 IonicContact OD1-NE 2.84Å; D183-R188 IonicContact OD2-CZ 2.71Å; D183-R188 IonicContact OD2-NE 3.82Å; D183-R188 PolarHBondContact OD2-NE 3.07Å; D183-R188 IonicContact OD2-NH2 3.98Å; D183-R188 PolarHBondContact OD2-NH2 2.86Å; D183-S194 WeakPolarHBondContact OD1-CB 3.34Å; D183-S194 PolarHBondContact OD1-OG 2.87Å; D183-H222 VanDerWaalsContact CG-NE2 3.27Å; D183-H222 IonicContact OD1-CE1 3.76Å; D183-H222 IonicContact OD1-NE2 3.2Å; D183-H222 PolarHBondContact OD1-NE2 3.16Å; D183-H222 IonicContact OD2-CE1 3.56Å; D183-H222 PolarHBondContact OD2-CE1 2.61Å; D183-H222 IonicContact OD2-NE2 3.13Å; D183-H222 PolarHBondContact OD2-NE2 3.13Å
184	K	93	Very high	90.8	Very high	163 Å²	163	68.4 Å²	68.4	71%	0.709	35%	0.345	S	S	*	.	H	α-helix	trans	-63.5	-43.6	-179.9	-177.9	-175.2	175.5	-172.4	0	111.2	L180 L181 F182 G187	L180-K184 PolarHBondContact O-N 3.37Å; L181-K184 HydrophobicContact CD1-CD 4.41Å; L181-K184 WeakPolarHBondContact O-CB 3.46Å; L181-K184 PolarHBondContact O-N 3.07Å; L181-K184 VanDerWaalsContact O-N 3.16Å; F182-K184 VanDerWaalsContact C-N 3.28Å; F182-K184 PolarHBondContact O-N 3Å; K184-G187 PolarHBondContact O-N 2.72Å; K184-G187 VanDerWaalsContact O-N 3.13Å
185	L	93.6	Very high	90.4	Very high	63 Å²	63	73.2 Å²	73.2	33%	0.33	37%	0.367	S	S	.	.	H	α-helix	trans	-72.2	-29.8	-178.8	-67.2	175.3	0	0	0	112.5	L181 F182 G187 P331 L342	L181-L185 HydrophobicContact CD1-CD1 4.21Å; L181-L185 HydrophobicContact CD1-CG 4.14Å; L181-L185 HydrophobicContact CG-CD1 3.98Å; L181-L185 HydrophobicContact CG-CG 4.35Å; L181-L185 WeakPolarHBondContact O-CG 3.31Å; L181-L185 PolarHBondContact O-N 3.26Å; F182-L185 PolarHBondContact O-N 3.27Å; F182-L185 VanDerWaalsContact O-N 3.16Å; L185-G187 PolarHBondContact O-N 3.46Å; L185-P331 HydrophobicContact CD1-CB 4.32Å; L185-P331 HydrophobicContact CD1-CG 4.04Å; L185-L342 HydrophobicContact CB-CD1 3.55Å; L185-L342 HydrophobicContact CD1-CD1 3.8Å; L185-L342 HydrophobicContact CG-CD1 4.33Å
186	Q	92.6	Very high	90.3	Very high	33 Å²	33	70.3 Å²	70.3	15%	0.154	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-2.6	170	-66.4	-66.4	-16	0	0	113.2	F182 D183 R188 G343	F182-Q186 HydrophobicContact CD1-CG 3.97Å; F182-Q186 HydrophobicContact CE1-CG 3.55Å; F182-Q186 HydrophobicContact CE2-CG 4.22Å; F182-Q186 HydrophobicContact CG-CG 4.45Å; F182-Q186 HydrophobicContact CZ-CG 3.7Å; F182-Q186 WeakPolarHBondContact O-CG 3.15Å; F182-Q186 PolarHBondContact O-N 2.93Å; D183-Q186 PolarHBondContact O-N 3.05Å; Q186-R188 VanDerWaalsContact C-N 3.33Å; Q186-R188 PolarHBondContact O-N 3.06Å; Q186-G343 PolarHBondContact NE2-O 2.92Å
187	G	91.2	Very high	90.3	Very high	52 Å²	52	64.8 Å²	64.8	54%	0.536	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	21.7	179.1	0	0	0	0	0	114.4	D183 K184 L185 K189	D183-G187 PolarHBondContact O-N 2.93Å; K184-G187 PolarHBondContact O-N 2.72Å; K184-G187 VanDerWaalsContact O-N 3.13Å; L185-G187 PolarHBondContact O-N 3.46Å; G187-K189 PolarHBondContact O-N 2.87Å
188	R	87.6	Confident	90.3	Very high	81 Å²	81	61.7 Å²	61.7	31%	0.306	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-56.9	127.6	178.9	-175.8	178.4	78.6	103.1	-18.1	110.9	D183 Q186 E192 P193	D183-R188 HydrophobicContact CB-CB 4.16Å; D183-R188 VanDerWaalsContact O-CB 3.28Å; D183-R188 WeakPolarHBondContact O-CB 3.45Å; D183-R188 PolarHBondContact O-N 3.41Å; D183-R188 IonicContact OD1-NE 2.84Å; D183-R188 IonicContact OD2-CZ 2.71Å; D183-R188 IonicContact OD2-NE 3.82Å; D183-R188 PolarHBondContact OD2-NE 3.07Å; D183-R188 IonicContact OD2-NH2 3.98Å; D183-R188 PolarHBondContact OD2-NH2 2.86Å; Q186-R188 VanDerWaalsContact C-N 3.33Å; Q186-R188 PolarHBondContact O-N 3.06Å; R188-E192 WeakPolarHBondContact CD-O 3.17Å; R188-E192 HydrophobicContact CG-CB 4.25Å; R188-E192 PolarHBondContact NH1-O 3.46Å; R188-P193 WeakPolarHBondContact CD-O 3.48Å
189	K	85.6	Confident	90.1	Very high	142 Å²	142	66.2 Å²	66.2	62%	0.617	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-82.7	154.3	174.6	-57.2	176.7	-175.5	165.5	0	111	G187 G191 E192	G187-K189 PolarHBondContact O-N 2.87Å; K189-G191 PolarHBondContact O-N 3.41Å; K189-E192 HydrophobicContact CB-CG 4.3Å; K189-E192 WeakPolarHBondContact CB-OE2 3.21Å; K189-E192 PolarHBondContact N-OE2 3.42Å; K189-E192 VanDerWaalsContact N-OE2 3.09Å; K189-E192 PolarHBondContact O-N 3.29Å; K189-E192 VanDerWaalsContact O-N 3.13Å
190	K	78	Confident	90.1	Very high	216 Å²	216	70.2 Å²	70.2	94%	0.939	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	121.4	179	-172.2	179.3	-178.9	-178.3	0	110.2
191	G	77.1	Confident	90.2	Very high	76 Å²	76	66.7 Å²	66.7	78%	0.784	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.5	-15.2	179.8	0	0	0	0	0	114.4	K189	K189-G191 PolarHBondContact O-N 3.41Å
192	E	84.4	Confident	90.4	Very high	90 Å²	90	64.7 Å²	64.7	42%	0.421	34%	0.338	S	S	.	.	S	Bend	trans	-79.6	147.9	173.2	-67.4	172.1	173	0	0	110.6	R188 K189	R188-E192 WeakPolarHBondContact CD-O 3.17Å; R188-E192 HydrophobicContact CG-CB 4.25Å; R188-E192 PolarHBondContact NH1-O 3.46Å; K189-E192 HydrophobicContact CB-CG 4.3Å; K189-E192 WeakPolarHBondContact CB-OE2 3.21Å; K189-E192 PolarHBondContact N-OE2 3.42Å; K189-E192 VanDerWaalsContact N-OE2 3.09Å; K189-E192 PolarHBondContact O-N 3.29Å; K189-E192 VanDerWaalsContact O-N 3.13Å
193	P	86.3	Confident	90.6	Very high	65 Å²	65	64.7 Å²	64.7	42%	0.422	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-62.6	155.9	172.3	27.6	-34	0	0	0	111.1	R188 C197 C225	R188-P193 WeakPolarHBondContact CD-O 3.48Å; P193-C197 HydrophobicContact CB-CB 4.36Å; P193-C225 HydrophobicContact CB-CB 4.38Å
194	S	90.9	Very high	90.8	Very high	8 Å²	8	64.4 Å²	64.4	6%	0.056	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-64.6	147.6	173	-179.2	0	0	0	0	110.5	D183 I196 C197	D183-S194 WeakPolarHBondContact OD1-CB 3.34Å; D183-S194 PolarHBondContact OD1-OG 2.87Å; S194-I196 PolarHBondContact O-N 2.8Å; S194-I196 PolarHBondContact OG-N 3.01Å; S194-C197 VanDerWaalsContact CB-SG 3.56Å; S194-C197 VanDerWaalsContact O-CB 3.26Å; S194-C197 WeakPolarHBondContact O-CB 3.46Å; S194-C197 PolarHBondContact O-N 2.95Å; S194-C197 PolarHBondContact O-SG 3.29Å
195	H	89.7	Confident	91	Very high	100 Å²	100	56.7 Å²	56.7	46%	0.463	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-31.2	170.3	-86.1	-101.4	0	0	0	111.9	F182 C197 L201	F182-H195 HydrophobicContact CE1-CB 4.23Å; H195-C197 PolarHBondContact O-N 3.48Å; H195-L201 WeakPolarHBondContact O-CD1 3.15Å
196	I	93.2	Very high	91.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-22	176.6	-70.6	160.7	0	0	0	112.6	V169 V171 L179 F182 S194 N198 V203 L219 P237	V169-I196 HydrophobicContact CG2-CG1 4.43Å; V171-I196 HydrophobicContact CG1-CD1 3.58Å; V171-I196 HydrophobicContact CG1-CG1 4.35Å; L179-I196 HydrophobicContact CD2-CD1 3.97Å; F182-I196 HydrophobicContact CD1-CD1 3.38Å; F182-I196 HydrophobicContact CD1-CG1 3.93Å; F182-I196 HydrophobicContact CD2-CD1 4.42Å; F182-I196 HydrophobicContact CE1-CD1 3.47Å; F182-I196 VanDerWaalsContact CE1-CD1 3.47Å; F182-I196 HydrophobicContact CE1-CG1 3.44Å; F182-I196 VanDerWaalsContact CE1-CG1 3.44Å; F182-I196 HydrophobicContact CE2-CD1 4.47Å; F182-I196 HydrophobicContact CG-CD1 3.91Å; F182-I196 HydrophobicContact CZ-CD1 4.03Å; F182-I196 HydrophobicContact CZ-CG1 3.83Å; S194-I196 PolarHBondContact O-N 2.8Å; S194-I196 PolarHBondContact OG-N 3.01Å; I196-N198 PolarHBondContact O-N 2.97Å; I196-V203 HydrophobicContact CG2-CG2 4.1Å; I196-L219 HydrophobicContact CG2-CD1 3.53Å; I196-P237 HydrophobicContact CG2-CB 4.42Å; I196-P237 HydrophobicContact CG2-CG 4Å; I196-P237 WeakPolarHBondContact O-CD 3.39Å
197	C	92	Very high	91.4	Very high	7 Å²	7	53 Å²	53	5%	0.047	28%	0.284	C	S	.	.			trans	-75.2	61.1	-178.4	-51.6	0	0	0	0	112	P193 S194 H195 C223 H235	P193-C197 HydrophobicContact CB-CB 4.36Å; S194-C197 VanDerWaalsContact CB-SG 3.56Å; S194-C197 VanDerWaalsContact O-CB 3.26Å; S194-C197 WeakPolarHBondContact O-CB 3.46Å; S194-C197 PolarHBondContact O-N 2.95Å; S194-C197 PolarHBondContact O-SG 3.29Å; H195-C197 PolarHBondContact O-N 3.48Å; C197-C223 HydrophobicContact CB-CB 4.33Å; C197-C223 VanDerWaalsContact SG-CA 3.55Å; C197-C223 PolarHBondContact SG-SG 3.21Å; C197-H235 CarbonylContact C-O 3.55Å; C197-H235 WeakPolarHBondContact CA-O 3.5Å; C197-H235 VanDerWaalsContact CB-CE1 3.42Å; C197-H235 WeakPolarHBondContact CB-CE1 3.45Å; C197-H235 WeakPolarHBondContact CB-NE2 3.48Å; C197-H235 WeakPolarHBondContact CB-O 3.49Å; C197-H235 PolarHBondContact O-CE1 3.22Å; C197-H235 PolarHBondContact O-ND1 2.91Å
198	N	92.4	Very high	91.4	Very high	65 Å²	65	51.1 Å²	51.1	35%	0.348	27%	0.265	S	S	.	.			trans	-154.3	116.9	-171.6	-177.6	-12.6	0	0	0	110.5	I196 N200 L201 H236 P237	I196-N198 PolarHBondContact O-N 2.97Å; N198-N200 PolarHBondContact O-N 3.36Å; N198-N200 VanDerWaalsContact O-N 3.1Å; N198-N200 WeakPolarHBondContact OD1-CB 3.3Å; N198-N200 PolarHBondContact OD1-N 3.43Å; N198-L201 HydrophobicContact CB-CD1 4.1Å; N198-L201 HydrophobicContact CB-CG 4.03Å; N198-L201 WeakPolarHBondContact O-CB 3.34Å; N198-L201 PolarHBondContact O-N 2.85Å; N198-H236 CarbonylContact C-O 3.55Å; N198-P237 WeakPolarHBondContact O-CA 3.49Å
199	K	93.3	Very high	91.5	Very high	97 Å²	97	52 Å²	52	42%	0.422	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.7	178.8	64.2	165	172.3	-168.8	0	115.1	L201 D234 H236 G238	K199-L201 PolarHBondContact O-N 3.35Å; K199-D234 HydrophobicContact CD-CB 3.82Å; K199-D234 HydrophobicContact CG-CB 4.37Å; K199-D234 IonicContact NZ-OD2 2.74Å; K199-D234 PolarHBondContact NZ-OD2 3.16Å; K199-H236 WeakPolarHBondContact CA-O 3.28Å; K199-H236 PolarHBondContact N-O 3.08Å; K199-H236 VanDerWaalsContact N-O 3.14Å; K199-G238 WeakPolarHBondContact O-CA 3.34Å; K199-G238 PolarHBondContact O-N 2.98Å
200	N	94.3	Very high	91.7	Very high	85 Å²	85	47.1 Å²	47.1	46%	0.455	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	15.2	176.4	-58.8	-21.7	0	0	0	112.1	G166 Y167 N198	G166-N200 CarbonylContact C-O 3.48Å; G166-N200 WeakPolarHBondContact CA-O 3.36Å; Y167-N200 PolarHBondContact N-O 3.43Å; N198-N200 PolarHBondContact O-N 3.36Å; N198-N200 VanDerWaalsContact O-N 3.1Å; N198-N200 WeakPolarHBondContact OD1-CB 3.3Å; N198-N200 PolarHBondContact OD1-N 3.43Å
201	L	96	Very high	92.3	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.052	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	140.7	169.2	-64.1	-176.5	0	0	0	110.9	Y167 V169 H195 N198 K199 P237 G238 P344	Y167-L201 CarbonylContact O-C 3.45Å; Y167-L201 VanDerWaalsContact O-CA 3.26Å; Y167-L201 WeakPolarHBondContact O-CA 3.47Å; V169-L201 HydrophobicContact CG1-CD1 4.1Å; V169-L201 HydrophobicContact CG1-CD2 4.25Å; V169-L201 HydrophobicContact CG2-CB 4.49Å; V169-L201 HydrophobicContact CG2-CD1 4.48Å; H195-L201 WeakPolarHBondContact O-CD1 3.15Å; N198-L201 HydrophobicContact CB-CD1 4.1Å; N198-L201 HydrophobicContact CB-CG 4.03Å; N198-L201 WeakPolarHBondContact O-CB 3.34Å; N198-L201 PolarHBondContact O-N 2.85Å; K199-L201 PolarHBondContact O-N 3.35Å; L201-P237 CarbonylContact O-C 3.39Å; L201-G238 PolarHBondContact O-N 2.86Å; L201-P344 HydrophobicContact CD2-CB 4.14Å
202	I	98	Very high	93.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.3	170.4	-52.6	-58.7	0	0	0	107.4	Y167 L168 V169 A239 I241 L350 V352	Y167-I202 PolarHBondContact O-N 3.05Å; L168-I202 CarbonylContact C-O 3.56Å; L168-I202 WeakPolarHBondContact CA-O 3.29Å; L168-I202 WeakPolarHBondContact CD1-O 3.48Å; V169-I202 PolarHBondContact N-O 3.3Å; I202-A239 HydrophobicContact CD1-CB 3.9Å; I202-A239 HydrophobicContact CG2-CB 4.22Å; I202-I241 HydrophobicContact CG2-CG1 3.98Å; I202-L350 HydrophobicContact CB-CB 4.26Å; I202-L350 HydrophobicContact CB-CD1 4.47Å; I202-L350 HydrophobicContact CG1-CB 4.07Å; I202-L350 HydrophobicContact CG2-CB 4.32Å; I202-L350 HydrophobicContact CG2-CD1 3.98Å; I202-V352 HydrophobicContact CD1-CG2 4.45Å; I202-V352 HydrophobicContact CG2-CG2 3.99Å
203	V	98.4	Very high	93.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132.4	-178.3	175.5	0	0	0	0	108.7	V169 V171 I196 L219 P237 A239 L240 I241	V169-V203 HydrophobicContact CG2-CB 4.4Å; V169-V203 HydrophobicContact CG2-CG2 3.74Å; V169-V203 WeakPolarHBondContact O-CA 3.2Å; V171-V203 HydrophobicContact CB-CG1 4.3Å; V171-V203 HydrophobicContact CG1-CG1 3.96Å; V171-V203 HydrophobicContact CG2-CG1 3.34Å; I196-V203 HydrophobicContact CG2-CG2 4.1Å; V203-L219 HydrophobicContact CB-CD2 4.31Å; V203-L219 HydrophobicContact CG1-CD1 4.49Å; V203-L219 HydrophobicContact CG1-CD2 4.37Å; V203-L219 HydrophobicContact CG2-CD1 4.21Å; V203-L219 HydrophobicContact CG2-CD2 4.26Å; V203-P237 HydrophobicContact CG2-CB 3.54Å; V203-P237 HydrophobicContact CG2-CG 3.78Å; V203-A239 PolarHBondContact N-O 2.96Å; V203-L240 HydrophobicContact CB-CD1 4.14Å; V203-L240 HydrophobicContact CG1-CD1 3.79Å; V203-L240 CarbonylContact O-C 3.52Å; V203-L240 WeakPolarHBondContact O-CA 3.33Å; V203-I241 PolarHBondContact O-N 3.36Å
204	I	98.5	Very high	93.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.7	167.8	-174	165.8	0	0	0	110.1	L168 V169 F170 V171 I241 Y243 A318 F321 L322	L168-I204 HydrophobicContact CD1-CB 3.82Å; L168-I204 HydrophobicContact CD1-CG2 3.55Å; L168-I204 HydrophobicContact CD2-CG2 4.18Å; L168-I204 HydrophobicContact CG-CG2 3.9Å; V169-I204 WeakPolarHBondContact O-CG2 3.43Å; V169-I204 PolarHBondContact O-N 3.04Å; F170-I204 HydrophobicContact CB-CG2 4.21Å; F170-I204 HydrophobicContact CD2-CG2 4.27Å; F170-I204 WeakPolarHBondContact CD2-O 3.49Å; V171-I204 PolarHBondContact N-O 3.46Å; I204-I241 WeakPolarHBondContact CA-O 3.33Å; I204-I241 HydrophobicContact CB-CB 4.18Å; I204-I241 HydrophobicContact CD1-CB 4.41Å; I204-I241 HydrophobicContact CD1-CG2 4.01Å; I204-I241 HydrophobicContact CG1-CB 4.05Å; I204-I241 HydrophobicContact CG1-CG2 4.06Å; I204-Y243 HydrophobicContact CD1-CD1 3.78Å; I204-Y243 HydrophobicContact CD1-CE1 4.14Å; I204-Y243 HydrophobicContact CG1-CD1 3.56Å; I204-Y243 HydrophobicContact CG1-CE1 3.8Å; I204-A318 HydrophobicContact CD1-CB 4.15Å; I204-F321 HydrophobicContact CD1-CD2 4.48Å; I204-L322 HydrophobicContact CD1-CD2 4.3Å; I204-L322 HydrophobicContact CD1-CG 4.34Å; I204-L322 HydrophobicContact CG2-CD2 3.66Å
205	A	98.4	Very high	94	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	147	-177.3	0	0	0	0	0	112	V171 N172 A174 L240 I241 L242 Y243	V171-A205 HydrophobicContact CG2-CB 3.92Å; N172-A205 CarbonylContact O-C 3.38Å; N172-A205 VanDerWaalsContact O-CA 3.26Å; N172-A205 WeakPolarHBondContact O-CA 2.94Å; N172-A205 WeakPolarHBondContact O-CB 3.36Å; A174-A205 HydrophobicContact CB-CB 4.11Å; A205-L240 HydrophobicContact CB-CD1 4.01Å; A205-I241 PolarHBondContact N-O 2.92Å; A205-L242 HydrophobicContact CB-CD2 4.15Å; A205-L242 WeakPolarHBondContact O-CA 3.31Å; A205-Y243 WeakPolarHBondContact O-CD1 3.49Å; A205-Y243 PolarHBondContact O-N 3.15Å
206	R	97.7	Very high	94.3	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	137.8	172.9	-61.1	174.1	65.5	165.9	6.5	110	F170 N172 Y173 K215 Y243 D245 D248 W334 D335	F170-R206 HydrophobicContact CE2-CG 4.06Å; F170-R206 HydrophobicContact CZ-CG 4.25Å; N172-R206 PolarHBondContact O-N 3.46Å; N172-R206 WeakPolarHBondContact OD1-CD 3.4Å; Y173-R206 HydrophobicContact CD1-CB 3.41Å; Y173-R206 VanDerWaalsContact CD1-CB 3.41Å; Y173-R206 HydrophobicContact CD1-CG 4.38Å; Y173-R206 HydrophobicContact CE1-CB 3.62Å; Y173-R206 HydrophobicContact CE1-CG 4.39Å; Y173-R206 HydrophobicContact CG-CB 4.22Å; Y173-R206 VanDerWaalsContact CZ-NE 3.3Å; Y173-R206 PolarHBondContact OH-NH1 3.34Å; Y173-R206 PolarHBondContact OH-NH2 2.92Å; R206-K215 WeakPolarHBondContact O-CE 3.49Å; R206-K215 PolarHBondContact O-NZ 2.91Å; R206-Y243 HydrophobicContact CG-CE1 4.13Å; R206-Y243 WeakPolarHBondContact CG-OH 3.32Å; R206-D245 HydrophobicContact CB-CB 4.31Å; R206-D245 HydrophobicContact CG-CB 3.88Å; R206-D245 IonicContact CZ-OD2 3.15Å; R206-D245 IonicContact NE-OD2 4Å; R206-D245 PolarHBondContact NE-OD2 3.33Å; R206-D245 IonicContact NH2-OD1 3.94Å; R206-D248 IonicContact CZ-OD2 3.59Å; R206-D248 IonicContact NE-OD2 2.95Å; R206-D248 PolarHBondContact NE-OD2 3.02Å; R206-D248 VanDerWaalsContact NE-OD2 3.15Å; R206-D248 IonicContact NH2-OD1 3.21Å; R206-D248 PolarHBondContact NH2-OD1 2.85Å; R206-D248 VanDerWaalsContact NH2-OD1 3.07Å; R206-D248 IonicContact NH2-OD2 3.46Å; R206-D248 PolarHBondContact NH2-OD2 3.41Å; R206-W334 PolarHBondContact NH1-O 2.93Å; R206-D335 PolarHBondContact NH1-O 2.99Å
207	L	96.2	Very high	94.3	Very high	16 Å²	16	31.8 Å²	31.8	8%	0.084	17%	0.174	C	C	.	.	S	Bend	trans	-68.8	-37.8	-179.3	-176.6	65.2	0	0	0	113	R212 K215 L242 Y243 P244 F249 V268	L207-R212 HydrophobicContact CD1-CG 4.08Å; L207-K215 WeakPolarHBondContact O-CE 3.38Å; L207-K215 PolarHBondContact O-NZ 3.44Å; L207-L242 HydrophobicContact CD1-CB 4.38Å; L207-L242 HydrophobicContact CD1-CD1 4.28Å; L207-Y243 WeakPolarHBondContact CB-O 3.48Å; L207-Y243 PolarHBondContact N-O 2.67Å; L207-P244 HydrophobicContact CD2-CB 4.46Å; L207-F249 HydrophobicContact CB-CE2 4.41Å; L207-F249 HydrophobicContact CD2-CZ 4.06Å; L207-F249 HydrophobicContact CG-CZ 4.48Å; L207-V268 HydrophobicContact CD2-CB 3.53Å; L207-V268 HydrophobicContact CD2-CG1 3.82Å; L207-V268 HydrophobicContact CD2-CG2 3.54Å
208	G	92.4	Very high	94.4	Very high	14 Å²	14	33.1 Å²	33.1	14%	0.144	18%	0.18	C	C	.	.	S	Bend	trans	-63.1	178.4	-174.4	0	0	0	0	0	115.3	Y173 G210 K215	Y173-G208 VanDerWaalsContact CD1-C 3.5Å; Y173-G208 WeakPolarHBondContact CD1-O 3.38Å; G208-G210 PolarHBondContact O-N 3.38Å; G208-K215 PolarHBondContact O-NZ 2.89Å
209	N	89.1	Confident	94.5	Very high	99 Å²	99	30 Å²	30	53%	0.529	16%	0.164	S	C	.	.	S	Bend	trans	53	45.3	169.1	-76.1	-50.6	0	0	0	116.5	Y173	Y173-N209 HydrophobicContact CD1-CB 3.77Å; Y173-N209 HydrophobicContact CD2-CB 4.14Å; Y173-N209 HydrophobicContact CE1-CB 3.79Å; Y173-N209 HydrophobicContact CE2-CB 4.17Å; Y173-N209 HydrophobicContact CG-CB 3.9Å; Y173-N209 PolarHBondContact OH-ND2 3.28Å
210	G	88.5	Confident	94.5	Very high	40 Å²	40	26.1 Å²	26.1	41%	0.412	15%	0.148	S	C	.	.	S	Bend	trans	155.8	170.4	174.7	0	0	0	0	0	111.2	G208	G208-G210 PolarHBondContact O-N 3.38Å
211	T	90.9	Very high	94.3	Very high	21 Å²	21	26 Å²	26	13%	0.129	14%	0.144	C	C	.	.			trans	-84.3	154.2	172.8	77.3	0	0	0	0	110.6	Q213 S214 K215 Y710	T211-Q213 VanDerWaalsContact C-N 3.27Å; T211-Q213 PolarHBondContact O-N 3.02Å; T211-Q213 PolarHBondContact OG1-OE1 3.02Å; T211-S214 PolarHBondContact N-OG 2.78Å; T211-S214 PolarHBondContact O-N 2.74Å; T211-S214 PolarHBondContact O-OG 2.95Å; T211-S214 WeakPolarHBondContact OG1-CB 3.4Å; T211-S214 PolarHBondContact OG1-N 3.17Å; T211-S214 PolarHBondContact OG1-OG 3.08Å; T211-K215 WeakPolarHBondContact O-CG 3.3Å; T211-K215 PolarHBondContact O-N 3.46Å; T211-K215 VanDerWaalsContact O-N 3.15Å; T211-Y710 HydrophobicContact CG2-CD2 3.92Å; T211-Y710 HydrophobicContact CG2-CE2 3.61Å
212	R	94	Very high	94.1	Very high	21 Å²	21	26.9 Å²	26.9	8%	0.079	15%	0.148	C	C	.	.	H	α-helix	trans	-54.6	-45.4	176	-62.9	173.3	175.7	73.9	2.2	111.4	Q156 L207 S214 K215 L216 L242 V268 F269 M272	Q156-R212 VanDerWaalsContact OE1-NE 3.13Å; L207-R212 HydrophobicContact CD1-CG 4.08Å; R212-S214 VanDerWaalsContact C-N 3.34Å; R212-S214 PolarHBondContact O-N 3.44Å; R212-K215 WeakPolarHBondContact O-CB 3.45Å; R212-K215 PolarHBondContact O-N 3.44Å; R212-L216 PolarHBondContact O-N 3.42Å; R212-L242 HydrophobicContact CB-CD1 4.28Å; R212-L242 HydrophobicContact CG-CD1 4.03Å; R212-V268 VanDerWaalsContact NH2-CG1 3.34Å; R212-F269 VanDerWaalsContact CZ-O 3.29Å; R212-F269 PolarHBondContact NH2-O 2.84Å; R212-M272 HydrophobicContact CB-CE 4Å; R212-M272 HydrophobicContact CB-CG 3.91Å; R212-M272 HydrophobicContact CB-SD 4.17Å; R212-M272 WeakPolarHBondContact O-CE 3.47Å
213	Q	92.6	Very high	93.7	Very high	36 Å²	36	26.9 Å²	26.9	17%	0.168	15%	0.148	C	C	.	.	H	α-helix	trans	-60.2	-42.4	176.9	-56.3	83.5	-14.6	0	0	111.3	T211 K215 L216 K217 H271 M274	T211-Q213 VanDerWaalsContact C-N 3.27Å; T211-Q213 PolarHBondContact O-N 3.02Å; T211-Q213 PolarHBondContact OG1-OE1 3.02Å; Q213-K215 VanDerWaalsContact C-N 3.31Å; Q213-K215 PolarHBondContact O-N 2.92Å; Q213-L216 PolarHBondContact O-N 3.14Å; Q213-K217 VanDerWaalsContact O-CB 3.24Å; Q213-K217 WeakPolarHBondContact O-CB 3.44Å; Q213-K217 PolarHBondContact O-N 3.11Å; Q213-H271 PolarHBondContact NE2-CE1 3.44Å; Q213-H271 PolarHBondContact NE2-O 3.09Å; Q213-M274 HydrophobicContact CB-SD 4.03Å; Q213-M274 HydrophobicContact CG-SD 4.15Å
214	S	92.4	Very high	93	Very high	39 Å²	39	28.8 Å²	28.8	27%	0.273	16%	0.16	S	C	.	.	H	α-helix	trans	-65.5	-34.8	179.8	74.9	0	0	0	0	112.4	T211 R212 N218	T211-S214 PolarHBondContact N-OG 2.78Å; T211-S214 PolarHBondContact O-N 2.74Å; T211-S214 PolarHBondContact O-OG 2.95Å; T211-S214 WeakPolarHBondContact OG1-CB 3.4Å; T211-S214 PolarHBondContact OG1-N 3.17Å; T211-S214 PolarHBondContact OG1-OG 3.08Å; R212-S214 VanDerWaalsContact C-N 3.34Å; R212-S214 PolarHBondContact O-N 3.44Å; S214-N218 VanDerWaalsContact O-CB 3.31Å; S214-N218 WeakPolarHBondContact O-CB 3.27Å; S214-N218 PolarHBondContact O-N 3.35Å; S214-N218 PolarHBondContact O-ND2 3.47Å
215	K	96.1	Very high	92	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-64.2	-50.2	176.2	-63.6	174.1	-170.5	-74.6	0	110.5	Y173 A174 R206 L207 G208 T211 R212 Q213 N218 L219 L242	Y173-K215 WeakPolarHBondContact O-CG 3.36Å; Y173-K215 PolarHBondContact O-NZ 3.38Å; A174-K215 HydrophobicContact CB-CB 3.98Å; A174-K215 HydrophobicContact CB-CG 4.28Å; R206-K215 WeakPolarHBondContact O-CE 3.49Å; R206-K215 PolarHBondContact O-NZ 2.91Å; L207-K215 WeakPolarHBondContact O-CE 3.38Å; L207-K215 PolarHBondContact O-NZ 3.44Å; G208-K215 PolarHBondContact O-NZ 2.89Å; T211-K215 WeakPolarHBondContact O-CG 3.3Å; T211-K215 PolarHBondContact O-N 3.46Å; T211-K215 VanDerWaalsContact O-N 3.15Å; R212-K215 WeakPolarHBondContact O-CB 3.45Å; R212-K215 PolarHBondContact O-N 3.44Å; Q213-K215 VanDerWaalsContact C-N 3.31Å; Q213-K215 PolarHBondContact O-N 2.92Å; K215-N218 PolarHBondContact O-N 2.9Å; K215-L219 WeakPolarHBondContact O-CB 3.21Å; K215-L219 PolarHBondContact O-N 2.74Å; K215-L242 HydrophobicContact CD-CD2 3.86Å
216	L	95.8	Very high	90.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.1	-45.6	178.1	-171.5	65.9	0	0	0	111.5	R212 Q213 N218 L219 M220 L240 M272 M274 T306 I308 V310	R212-L216 PolarHBondContact O-N 3.42Å; Q213-L216 PolarHBondContact O-N 3.14Å; L216-N218 PolarHBondContact O-N 3.14Å; L216-L219 WeakPolarHBondContact O-CB 3.27Å; L216-L219 PolarHBondContact O-N 2.94Å; L216-L219 VanDerWaalsContact O-N 3.1Å; L216-M220 HydrophobicContact CD1-CE 3.41Å; L216-M220 VanDerWaalsContact CD1-CE 3.41Å; L216-M220 HydrophobicContact CG-CE 4.14Å; L216-M220 HydrophobicContact CG-CG 4.39Å; L216-M220 VanDerWaalsContact O-CG 3.32Å; L216-M220 WeakPolarHBondContact O-CG 3.03Å; L216-M220 PolarHBondContact O-N 3.34Å; L216-L240 HydrophobicContact CB-CD2 4.45Å; L216-L240 HydrophobicContact CD1-CD2 4.11Å; L216-M272 HydrophobicContact CB-CE 3.86Å; L216-M272 HydrophobicContact CD2-CE 4Å; L216-M274 HydrophobicContact CB-CE 4.26Å; L216-M274 HydrophobicContact CD2-CE 3.98Å; L216-M274 HydrophobicContact CD2-CG 4.43Å; L216-M274 HydrophobicContact CD2-SD 3.9Å; L216-M274 HydrophobicContact CG-CE 4.3Å; L216-T306 VanDerWaalsContact CD2-CB 3.47Å; L216-T306 HydrophobicContact CD2-CG2 3.47Å; L216-T306 VanDerWaalsContact CD2-CG2 3.47Å; L216-I308 HydrophobicContact CD1-CD1 4.1Å; L216-I308 HydrophobicContact CD1-CG1 3.86Å; L216-V310 HydrophobicContact CD1-CG2 4.17Å; L216-V310 HydrophobicContact CD2-CG2 4.22Å
217	K	92.7	Very high	88.7	Confident	114 Å²	114	40 Å²	40	50%	0.496	22%	0.221	S	C	.	.	H	α-helix	trans	-58.5	-47	177.7	-178.2	170.3	178.1	169.3	0	111.8	Q213 L219 M220 E221 M274	Q213-K217 VanDerWaalsContact O-CB 3.24Å; Q213-K217 WeakPolarHBondContact O-CB 3.44Å; Q213-K217 PolarHBondContact O-N 3.11Å; K217-L219 VanDerWaalsContact C-N 3.28Å; K217-L219 PolarHBondContact O-N 3.41Å; K217-M220 PolarHBondContact O-N 3.02Å; K217-E221 WeakPolarHBondContact CE-OE1 3.35Å; K217-E221 HydrophobicContact CG-CG 4.29Å; K217-E221 WeakPolarHBondContact CG-OE1 3.33Å; K217-E221 IonicContact NZ-OE1 3.38Å; K217-E221 WeakPolarHBondContact O-CB 3.2Å; K217-E221 VanDerWaalsContact O-CG 3.31Å; K217-E221 WeakPolarHBondContact O-CG 3.41Å; K217-E221 PolarHBondContact O-N 3.43Å; K217-M274 HydrophobicContact CB-CE 4.37Å
218	N	94.5	Very high	87.1	Confident	35 Å²	35	46.9 Å²	46.9	19%	0.187	26%	0.257	C	S	.	.	H	α-helix	trans	-59.6	-40.8	175.7	-70.4	-29.7	0	0	0	111.5	A174 L179 S214 K215 L216 H222	A174-N218 VanDerWaalsContact O-CB 3.29Å; A174-N218 WeakPolarHBondContact O-CB 3.48Å; A174-N218 PolarHBondContact O-ND2 3.34Å; L179-N218 HydrophobicContact CD1-CB 3.97Å; L179-N218 WeakPolarHBondContact CD1-O 3.46Å; S214-N218 VanDerWaalsContact O-CB 3.31Å; S214-N218 WeakPolarHBondContact O-CB 3.27Å; S214-N218 PolarHBondContact O-N 3.35Å; S214-N218 PolarHBondContact O-ND2 3.47Å; K215-N218 PolarHBondContact O-N 2.9Å; L216-N218 PolarHBondContact O-N 3.14Å; N218-H222 WeakPolarHBondContact O-CB 3.43Å; N218-H222 PolarHBondContact O-N 3.09Å
219	L	95.3	Very high	85.6	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64	-46.4	179.2	-170.9	62.6	0	0	0	111.9	L179 I196 V203 K215 L216 K217 H222 C223 P237 L240 I308	L179-L219 HydrophobicContact CD2-CD1 4.28Å; I196-L219 HydrophobicContact CG2-CD1 3.53Å; V203-L219 HydrophobicContact CB-CD2 4.31Å; V203-L219 HydrophobicContact CG1-CD1 4.49Å; V203-L219 HydrophobicContact CG1-CD2 4.37Å; V203-L219 HydrophobicContact CG2-CD1 4.21Å; V203-L219 HydrophobicContact CG2-CD2 4.26Å; K215-L219 WeakPolarHBondContact O-CB 3.21Å; K215-L219 PolarHBondContact O-N 2.74Å; L216-L219 WeakPolarHBondContact O-CB 3.27Å; L216-L219 PolarHBondContact O-N 2.94Å; L216-L219 VanDerWaalsContact O-N 3.1Å; K217-L219 VanDerWaalsContact C-N 3.28Å; K217-L219 PolarHBondContact O-N 3.41Å; L219-H222 PolarHBondContact O-N 3.38Å; L219-C223 PolarHBondContact O-N 3.39Å; L219-C223 PolarHBondContact O-SG 3.43Å; L219-P237 HydrophobicContact CD1-CG 4.08Å; L219-P237 HydrophobicContact CD2-CG 3.61Å; L219-P237 HydrophobicContact CG-CG 3.8Å; L219-L240 HydrophobicContact CD2-CD1 4.47Å; L219-I308 HydrophobicContact CD2-CD1 4.29Å
220	M	93	Very high	84.2	Confident	16 Å²	16	50.5 Å²	50.5	8%	0.079	28%	0.276	C	S	.	.	H	α-helix	trans	-64.5	-49.1	177.5	-63.4	-57.2	147.9	0	0	111.5	L216 K217 H222 C223 T224 H236 Q307 I308	L216-M220 HydrophobicContact CD1-CE 3.41Å; L216-M220 VanDerWaalsContact CD1-CE 3.41Å; L216-M220 HydrophobicContact CG-CE 4.14Å; L216-M220 HydrophobicContact CG-CG 4.39Å; L216-M220 VanDerWaalsContact O-CG 3.32Å; L216-M220 WeakPolarHBondContact O-CG 3.03Å; L216-M220 PolarHBondContact O-N 3.34Å; K217-M220 PolarHBondContact O-N 3.02Å; M220-H222 PolarHBondContact O-N 3.29Å; M220-C223 PolarHBondContact O-N 3.32Å; M220-T224 PolarHBondContact O-N 3.45Å; M220-H236 HydrophobicContact CE-CB 4.46Å; M220-H236 HydrophobicContact SD-CB 4.02Å; M220-H236 PolarHBondContact SD-CD2 3.09Å; M220-H236 VanDerWaalsContact SD-CG 3.59Å; M220-Q307 HydrophobicContact CE-CB 4.14Å; M220-Q307 HydrophobicContact CG-CG 4.4Å; M220-Q307 HydrophobicContact SD-CB 3.95Å; M220-Q307 HydrophobicContact SD-CG 4.34Å; M220-I308 HydrophobicContact CE-CB 4.2Å; M220-I308 HydrophobicContact CE-CD1 3.43Å; M220-I308 VanDerWaalsContact CE-CD1 3.43Å; M220-I308 HydrophobicContact CE-CG1 3.46Å; M220-I308 VanDerWaalsContact CE-CG1 3.46Å; M220-I308 HydrophobicContact CE-CG2 3.8Å
221	E	90.2	Very high	83.1	Confident	81 Å²	81	51.6 Å²	51.6	38%	0.379	28%	0.277	S	S	.	.	H	α-helix	trans	-63.2	-28.6	177.2	-72.7	179.7	-179.8	0	0	113	K217 C223 T224	K217-E221 WeakPolarHBondContact CE-OE1 3.35Å; K217-E221 HydrophobicContact CG-CG 4.29Å; K217-E221 WeakPolarHBondContact CG-OE1 3.33Å; K217-E221 IonicContact NZ-OE1 3.38Å; K217-E221 WeakPolarHBondContact O-CB 3.2Å; K217-E221 VanDerWaalsContact O-CG 3.31Å; K217-E221 WeakPolarHBondContact O-CG 3.41Å; K217-E221 PolarHBondContact O-N 3.43Å; E221-C223 PolarHBondContact O-N 3.06Å; E221-T224 PolarHBondContact O-OG1 2.98Å
222	H	91.3	Very high	82	Confident	29 Å²	29	54.1 Å²	54.1	13%	0.134	29%	0.29	C	S	.	.	H	α-helix	trans	-71.4	-22.7	175.4	-166.1	76.3	0	0	0	112.3	L179 D183 N218 L219 M220	L179-H222 HydrophobicContact CD1-CB 3.73Å; D183-H222 VanDerWaalsContact CG-NE2 3.27Å; D183-H222 IonicContact OD1-CE1 3.76Å; D183-H222 IonicContact OD1-NE2 3.2Å; D183-H222 PolarHBondContact OD1-NE2 3.16Å; D183-H222 IonicContact OD2-CE1 3.56Å; D183-H222 PolarHBondContact OD2-CE1 2.61Å; D183-H222 IonicContact OD2-NE2 3.13Å; D183-H222 PolarHBondContact OD2-NE2 3.13Å; N218-H222 WeakPolarHBondContact O-CB 3.43Å; N218-H222 PolarHBondContact O-N 3.09Å; L219-H222 PolarHBondContact O-N 3.38Å; M220-H222 PolarHBondContact O-N 3.29Å
223	C	90.3	Very high	80.8	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	10.3	178.9	-55.9	0	0	0	0	114.2	C197 L219 M220 E221 C225 H236	C197-C223 HydrophobicContact CB-CB 4.33Å; C197-C223 VanDerWaalsContact SG-CA 3.55Å; C197-C223 PolarHBondContact SG-SG 3.21Å; L219-C223 PolarHBondContact O-N 3.39Å; L219-C223 PolarHBondContact O-SG 3.43Å; M220-C223 PolarHBondContact O-N 3.32Å; E221-C223 PolarHBondContact O-N 3.06Å; C223-C225 PolarHBondContact O-N 3.14Å; C223-H236 VanDerWaalsContact CB-CD2 3.45Å; C223-H236 WeakPolarHBondContact CB-CD2 3.43Å
224	T	83.7	Confident	79.8	Confident	41 Å²	41	62.5 Å²	62.5	25%	0.252	34%	0.344	S	S	.	.			trans	-80.5	68.4	174.1	61.8	0	0	0	0	111.2	M220 E221 N229	M220-T224 PolarHBondContact O-N 3.45Å; E221-T224 PolarHBondContact O-OG1 2.98Å; T224-N229 WeakPolarHBondContact CB-O 3.4Å
225	C	76.8	Confident	79.6	Confident	55 Å²	55	62.1 Å²	62.1	37%	0.372	34%	0.338	S	S	.	.			trans	-101.7	-1.4	-175.3	72.7	0	0	0	0	114.3	P193 C223 H235	P193-C225 HydrophobicContact CB-CB 4.38Å; C223-C225 PolarHBondContact O-N 3.14Å; C225-H235 PolarHBondContact SG-CD2 3.47Å; C225-H235 PolarHBondContact SG-NE2 3.32Å
226	G	64.8	Low	79.4	Confident	10 Å²	10	63.7 Å²	63.7	10%	0.103	35%	0.345	C	S	.	.	S	Bend	trans	-67.4	174.5	177	0	0	0	0	0	112.7	N228 N229 T230	G226-N228 PolarHBondContact O-N 2.61Å; G226-N229 PolarHBondContact O-N 2.75Å; G226-T230 VanDerWaalsContact CA-O 3.24Å; G226-T230 WeakPolarHBondContact CA-O 3.46Å; G226-T230 PolarHBondContact N-O 2.85Å
227	Q	61.7	Low	79.3	Confident	173 Å²	173	63.7 Å²	63.7	81%	0.808	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-55.4	132.2	174	-70.9	-172	-6.4	0	0	109.8	N229 T230	Q227-N229 VanDerWaalsContact C-N 3.34Å; Q227-N229 PolarHBondContact O-N 2.81Å; Q227-T230 VanDerWaalsContact O-CG2 3.29Å; Q227-T230 WeakPolarHBondContact O-CG2 3.45Å; Q227-T230 PolarHBondContact O-N 3.09Å; Q227-T230 PolarHBondContact O-OG1 3.13Å
228	N	62.6	Low	79.5	Confident	159 Å²	159	58.8 Å²	58.8	85%	0.85	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	61.4	31.2	-175.6	-55.1	-31.1	0	0	0	115.5	G226 T230	G226-N228 PolarHBondContact O-N 2.61Å; N228-T230 PolarHBondContact O-N 2.97Å
229	N	62.1	Low	79.7	Confident	117 Å²	117	57.1 Å²	57.1	63%	0.626	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	57.6	36	-176	-52.5	-40.1	0	0	0	112.5	T224 G226 Q227	T224-N229 WeakPolarHBondContact CB-O 3.4Å; G226-N229 PolarHBondContact O-N 2.75Å; Q227-N229 VanDerWaalsContact C-N 3.34Å; Q227-N229 PolarHBondContact O-N 2.81Å
230	T	59.1	Low	79.8	Confident	72 Å²	72	57.1 Å²	57.1	44%	0.442	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-81	147.6	170.3	60.3	0	0	0	0	110	G226 Q227 N228 L232	G226-T230 VanDerWaalsContact CA-O 3.24Å; G226-T230 WeakPolarHBondContact CA-O 3.46Å; G226-T230 PolarHBondContact N-O 2.85Å; Q227-T230 VanDerWaalsContact O-CG2 3.29Å; Q227-T230 WeakPolarHBondContact O-CG2 3.45Å; Q227-T230 PolarHBondContact O-N 3.09Å; Q227-T230 PolarHBondContact O-OG1 3.13Å; N228-T230 PolarHBondContact O-N 2.97Å; T230-L232 PolarHBondContact O-N 2.83Å
231	S	65.7	Low	80.1	Confident	63 Å²	63	56.4 Å²	56.4	44%	0.441	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-66	130.1	165.2	-62.3	0	0	0	0	109.6	H236	S231-H236 VanDerWaalsContact CB-CE1 3.5Å; S231-H236 WeakPolarHBondContact CB-CE1 3.35Å; S231-H236 PolarHBondContact OG-CE1 3.43Å; S231-H236 PolarHBondContact OG-NE2 2.95Å
232	L	67.4	Low	80.5	Confident	75 Å²	75	52.7 Å²	52.7	39%	0.393	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-80	145.7	168.3	-67.5	172.1	0	0	0	108.9	T230 H235	T230-L232 PolarHBondContact O-N 2.83Å; L232-H235 HydrophobicContact CB-CB 3.63Å; L232-H235 WeakPolarHBondContact O-CB 3.21Å; L232-H235 PolarHBondContact O-N 3.07Å
233	P	69.4	Low	80.8	Confident	121 Å²	121	51.3 Å²	51.3	79%	0.786	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	141.8	173.1	-22.9	32.8	0	0	0	111	H235	P233-H235 PolarHBondContact O-N 3.43Å
234	D	72	Confident	81.1	Confident	111 Å²	111	51.3 Å²	51.3	59%	0.594	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	21.7	178	-71	-6.9	0	0	0	115.5	K199	K199-D234 HydrophobicContact CD-CB 3.82Å; K199-D234 HydrophobicContact CG-CB 4.37Å; K199-D234 IonicContact NZ-OD2 2.74Å; K199-D234 PolarHBondContact NZ-OD2 3.16Å
235	H	86.4	Confident	81.7	Confident	32 Å²	32	49.4 Å²	49.4	15%	0.148	28%	0.279	C	S	.	.			trans	-104	2.9	-172.1	-154.3	50	0	0	0	114.7	C197 C225 L232 P233	C197-H235 CarbonylContact C-O 3.55Å; C197-H235 WeakPolarHBondContact CA-O 3.5Å; C197-H235 VanDerWaalsContact CB-CE1 3.42Å; C197-H235 WeakPolarHBondContact CB-CE1 3.45Å; C197-H235 WeakPolarHBondContact CB-NE2 3.48Å; C197-H235 WeakPolarHBondContact CB-O 3.49Å; C197-H235 PolarHBondContact O-CE1 3.22Å; C197-H235 PolarHBondContact O-ND1 2.91Å; C225-H235 PolarHBondContact SG-CD2 3.47Å; C225-H235 PolarHBondContact SG-NE2 3.32Å; L232-H235 HydrophobicContact CB-CB 3.63Å; L232-H235 WeakPolarHBondContact O-CB 3.21Å; L232-H235 PolarHBondContact O-N 3.07Å; P233-H235 PolarHBondContact O-N 3.43Å
236	H	91.9	Very high	82.6	Confident	34 Å²	34	47.3 Å²	47.3	16%	0.157	26%	0.264	C	S	.	.	S	Bend	trans	-93.5	156.2	170.8	-60.1	111	0	0	0	109.7	N198 K199 M220 C223 S231 I308	N198-H236 CarbonylContact C-O 3.55Å; K199-H236 WeakPolarHBondContact CA-O 3.28Å; K199-H236 PolarHBondContact N-O 3.08Å; K199-H236 VanDerWaalsContact N-O 3.14Å; M220-H236 HydrophobicContact CE-CB 4.46Å; M220-H236 HydrophobicContact SD-CB 4.02Å; M220-H236 PolarHBondContact SD-CD2 3.09Å; M220-H236 VanDerWaalsContact SD-CG 3.59Å; C223-H236 VanDerWaalsContact CB-CD2 3.45Å; C223-H236 WeakPolarHBondContact CB-CD2 3.43Å; S231-H236 VanDerWaalsContact CB-CE1 3.5Å; S231-H236 WeakPolarHBondContact CB-CE1 3.35Å; S231-H236 PolarHBondContact OG-CE1 3.43Å; S231-H236 PolarHBondContact OG-NE2 2.95Å; H236-I308 HydrophobicContact CB-CG2 4.35Å
237	P	95.6	Very high	83.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.27	C	S	.	.			trans	-55.8	149.4	168.4	24.7	-33.4	0	0	0	110.9	I196 N198 L201 V203 L219 I308	I196-P237 HydrophobicContact CG2-CB 4.42Å; I196-P237 HydrophobicContact CG2-CG 4Å; I196-P237 WeakPolarHBondContact O-CD 3.39Å; N198-P237 WeakPolarHBondContact O-CA 3.49Å; L201-P237 CarbonylContact O-C 3.39Å; V203-P237 HydrophobicContact CG2-CB 3.54Å; V203-P237 HydrophobicContact CG2-CG 3.78Å; L219-P237 HydrophobicContact CD1-CG 4.08Å; L219-P237 HydrophobicContact CD2-CG 3.61Å; L219-P237 HydrophobicContact CG-CG 3.8Å; P237-I308 HydrophobicContact CG-CD1 4.16Å; P237-I308 WeakPolarHBondContact O-CD1 3.43Å; P237-I308 WeakPolarHBondContact O-CG2 3.25Å
238	G	96.2	Very high	85.4	Confident	11 Å²	11	42.2 Å²	42.2	11%	0.113	24%	0.239	C	C	.	.	S	Bend	trans	-65.2	-41.7	-174	0	0	0	0	0	113.2	S164 K199 L201 P309	S164-G238 PolarHBondContact OG-O 3.08Å; K199-G238 WeakPolarHBondContact O-CA 3.34Å; K199-G238 PolarHBondContact O-N 2.98Å; L201-G238 PolarHBondContact O-N 2.86Å; G238-P309 WeakPolarHBondContact O-CD 3.23Å
239	A	98.2	Very high	86.8	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	166	176.7	0	0	0	0	0	111.8	I202 V203 P309 V352	I202-A239 HydrophobicContact CD1-CB 3.9Å; I202-A239 HydrophobicContact CG2-CB 4.22Å; V203-A239 PolarHBondContact N-O 2.96Å; A239-P309 VanDerWaalsContact CA-O 3.31Å; A239-P309 WeakPolarHBondContact CA-O 3.28Å; A239-P309 HydrophobicContact CB-CB 4.2Å; A239-P309 WeakPolarHBondContact CB-O 3.29Å; A239-V352 HydrophobicContact CB-CB 4.12Å; A239-V352 HydrophobicContact CB-CG1 4.1Å; A239-V352 HydrophobicContact CB-CG2 4.15Å
240	L	98.6	Very high	88.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.1	172.8	174.3	62.5	0	0	0	110.4	V203 A205 L216 L219 L242 I308 P309 V310 Q311	V203-L240 HydrophobicContact CB-CD1 4.14Å; V203-L240 HydrophobicContact CG1-CD1 3.79Å; V203-L240 CarbonylContact O-C 3.52Å; V203-L240 WeakPolarHBondContact O-CA 3.33Å; A205-L240 HydrophobicContact CB-CD1 4.01Å; L216-L240 HydrophobicContact CB-CD2 4.45Å; L216-L240 HydrophobicContact CD1-CD2 4.11Å; L219-L240 HydrophobicContact CD2-CD1 4.47Å; L240-L242 HydrophobicContact CD1-CD2 4.15Å; L240-L242 HydrophobicContact CD2-CD2 4.04Å; L240-L242 HydrophobicContact CD2-CG 4.45Å; L240-L242 HydrophobicContact CG-CD2 4.01Å; L240-L242 HydrophobicContact CG-CG 4.28Å; L240-I308 HydrophobicContact CB-CD1 4.31Å; L240-P309 PolarHBondContact N-O 3.41Å; L240-V310 HydrophobicContact CB-CG1 4.14Å; L240-V310 HydrophobicContact CB-CG2 4.15Å; L240-V310 HydrophobicContact CD2-CG1 4.1Å; L240-V310 HydrophobicContact CD2-CG2 4.45Å; L240-V310 HydrophobicContact CG-CG1 4.07Å; L240-V310 VanDerWaalsContact O-CA 3.23Å; L240-V310 WeakPolarHBondContact O-CA 3.36Å; L240-V310 WeakPolarHBondContact O-CG1 3.44Å; L240-Q311 PolarHBondContact O-N 3.43Å
241	I	98.7	Very high	89.3	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.9	171.5	-55.9	-56.1	0	0	0	108.8	V111 I202 V203 I204 A205 Q311 V313 L350 V352	V111-I241 HydrophobicContact CG1-CD1 4.05Å; V111-I241 HydrophobicContact CG1-CG1 4.49Å; V111-I241 HydrophobicContact CG2-CD1 3.91Å; I202-I241 HydrophobicContact CG2-CG1 3.98Å; V203-I241 PolarHBondContact O-N 3.36Å; I204-I241 WeakPolarHBondContact CA-O 3.33Å; I204-I241 HydrophobicContact CB-CB 4.18Å; I204-I241 HydrophobicContact CD1-CB 4.41Å; I204-I241 HydrophobicContact CD1-CG2 4.01Å; I204-I241 HydrophobicContact CG1-CB 4.05Å; I204-I241 HydrophobicContact CG1-CG2 4.06Å; A205-I241 PolarHBondContact N-O 2.92Å; I241-Q311 WeakPolarHBondContact CA-O 3.37Å; I241-Q311 HydrophobicContact CD1-CB 3.99Å; I241-V313 HydrophobicContact CG2-CB 4.38Å; I241-V313 HydrophobicContact CG2-CG1 4Å; I241-V313 HydrophobicContact CG2-CG2 3.48Å; I241-V313 VanDerWaalsContact CG2-CG2 3.48Å; I241-L350 HydrophobicContact CG1-CD1 4.21Å; I241-V352 HydrophobicContact CD1-CG1 4.22Å; I241-V352 HydrophobicContact CD1-CG2 3.93Å
242	L	98.6	Very high	90.2	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.7	175.9	-63	179.4	0	0	0	109.8	A205 L207 R212 K215 L240 V310 Q311 P312 V313	A205-L242 HydrophobicContact CB-CD2 4.15Å; A205-L242 WeakPolarHBondContact O-CA 3.31Å; L207-L242 HydrophobicContact CD1-CB 4.38Å; L207-L242 HydrophobicContact CD1-CD1 4.28Å; R212-L242 HydrophobicContact CB-CD1 4.28Å; R212-L242 HydrophobicContact CG-CD1 4.03Å; K215-L242 HydrophobicContact CD-CD2 3.86Å; L240-L242 HydrophobicContact CD1-CD2 4.15Å; L240-L242 HydrophobicContact CD2-CD2 4.04Å; L240-L242 HydrophobicContact CD2-CG 4.45Å; L240-L242 HydrophobicContact CG-CD2 4.01Å; L240-L242 HydrophobicContact CG-CG 4.28Å; L242-V310 HydrophobicContact CD1-CG1 3.92Å; L242-V310 HydrophobicContact CG-CG1 4.07Å; L242-Q311 PolarHBondContact N-O 2.79Å; L242-P312 CarbonylContact O-C 3.54Å; L242-P312 VanDerWaalsContact O-CA 3.29Å; L242-P312 WeakPolarHBondContact O-CA 3.23Å; L242-V313 PolarHBondContact O-N 3.38Å
243	Y	98.1	Very high	91	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145.5	176.8	76.1	-81.1	0	0	0	111.9	F170 I204 A205 R206 L207 D245 A318 L322 L338	F170-Y243 HydrophobicContact CE2-CE1 4.22Å; F170-Y243 WeakPolarHBondContact CE2-OH 3.41Å; I204-Y243 HydrophobicContact CD1-CD1 3.78Å; I204-Y243 HydrophobicContact CD1-CE1 4.14Å; I204-Y243 HydrophobicContact CG1-CD1 3.56Å; I204-Y243 HydrophobicContact CG1-CE1 3.8Å; A205-Y243 WeakPolarHBondContact O-CD1 3.49Å; A205-Y243 PolarHBondContact O-N 3.15Å; R206-Y243 HydrophobicContact CG-CE1 4.13Å; R206-Y243 WeakPolarHBondContact CG-OH 3.32Å; L207-Y243 WeakPolarHBondContact CB-O 3.48Å; L207-Y243 PolarHBondContact N-O 2.67Å; Y243-D245 HydrophobicContact CD2-CB 4.37Å; Y243-D245 HydrophobicContact CE2-CB 3.67Å; Y243-D245 PolarHBondContact O-N 3.41Å; Y243-D245 PolarHBondContact OH-OD2 2.9Å; Y243-A318 HydrophobicContact CD1-CB 4.05Å; Y243-A318 HydrophobicContact CD2-CB 3.54Å; Y243-A318 HydrophobicContact CE2-CB 4.2Å; Y243-A318 HydrophobicContact CG-CB 3.46Å; Y243-A318 VanDerWaalsContact CG-CB 3.46Å; Y243-L322 HydrophobicContact CE1-CD1 4.13Å; Y243-L322 HydrophobicContact CE2-CD1 4.19Å; Y243-L338 HydrophobicContact CD2-CD1 4.39Å; Y243-L338 HydrophobicContact CE2-CD1 3.94Å
244	P	96.5	Very high	92	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	17%	0.174	C	C	.	.			trans	-79.2	93.8	176.4	31.8	-32.4	0	0	0	110.2	L207 F249 L262 V268 V313 Y315	L207-P244 HydrophobicContact CD2-CB 4.46Å; P244-F249 HydrophobicContact CB-CD1 4.32Å; P244-F249 HydrophobicContact CB-CD2 3.48Å; P244-F249 VanDerWaalsContact CB-CD2 3.48Å; P244-F249 HydrophobicContact CB-CE1 4.47Å; P244-F249 HydrophobicContact CB-CE2 3.69Å; P244-F249 HydrophobicContact CB-CG 3.87Å; P244-F249 HydrophobicContact CB-CZ 4.18Å; P244-L262 HydrophobicContact CB-CD2 3.65Å; P244-L262 HydrophobicContact CG-CD2 3.6Å; P244-V268 HydrophobicContact CB-CG2 3.89Å; P244-V268 HydrophobicContact CG-CG2 3.91Å; P244-V313 VanDerWaalsContact CD-O 3.23Å; P244-V313 WeakPolarHBondContact CD-O 3.42Å; P244-Y315 HydrophobicContact CG-CD1 4.4Å; P244-Y315 WeakPolarHBondContact O-CB 3.27Å; P244-Y315 VanDerWaalsContact O-CD1 3.32Å; P244-Y315 WeakPolarHBondContact O-CD1 3.42Å
245	D	95.7	Very high	93	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.157	C	C	.	.			trans	-57.2	131.4	-178.1	-165.7	-65.7	0	0	0	111.5	R206 Y243 Q247 D248 F249 T336	R206-D245 HydrophobicContact CB-CB 4.31Å; R206-D245 HydrophobicContact CG-CB 3.88Å; R206-D245 IonicContact CZ-OD2 3.15Å; R206-D245 IonicContact NE-OD2 4Å; R206-D245 PolarHBondContact NE-OD2 3.33Å; R206-D245 IonicContact NH2-OD1 3.94Å; Y243-D245 HydrophobicContact CD2-CB 4.37Å; Y243-D245 HydrophobicContact CE2-CB 3.67Å; Y243-D245 PolarHBondContact O-N 3.41Å; Y243-D245 PolarHBondContact OH-OD2 2.9Å; D245-Q247 PolarHBondContact O-N 2.95Å; D245-Q247 VanDerWaalsContact OD1-CB 3.27Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.47Å; D245-Q247 PolarHBondContact OD1-N 2.63Å; D245-D248 WeakPolarHBondContact O-CA 3.47Å; D245-D248 WeakPolarHBondContact O-CB 3.46Å; D245-D248 PolarHBondContact O-N 3.44Å; D245-F249 WeakPolarHBondContact O-CD2 3.25Å; D245-F249 PolarHBondContact O-N 3.16Å; D245-F249 VanDerWaalsContact O-N 3.12Å; D245-T336 PolarHBondContact OD2-OG1 3.46Å
246	P	94.6	Very high	93.4	Very high	11 Å²	11	26.6 Å²	26.6	7%	0.071	16%	0.158	C	C	.	.	H	α-helix	trans	-63.2	-17.7	-177.7	23.9	-33.5	0	0	0	113.1	D248 A250 A251 Y315 R337 L338	P246-D248 VanDerWaalsContact C-N 3.25Å; P246-D248 PolarHBondContact O-N 3.26Å; P246-A250 HydrophobicContact CB-CB 4.06Å; P246-A250 CarbonylContact O-C 3.56Å; P246-A250 VanDerWaalsContact O-CA 3.27Å; P246-A250 WeakPolarHBondContact O-CA 3.45Å; P246-A250 PolarHBondContact O-N 3.09Å; P246-A251 PolarHBondContact O-N 3.24Å; P246-A251 VanDerWaalsContact O-N 3.09Å; P246-Y315 HydrophobicContact CB-CD1 4.43Å; P246-Y315 HydrophobicContact CB-CE1 4.39Å; P246-Y315 HydrophobicContact CB-CE2 4.5Å; P246-Y315 HydrophobicContact CB-CG 4.5Å; P246-Y315 HydrophobicContact CG-CD2 4.39Å; P246-Y315 HydrophobicContact CG-CG 4.43Å; P246-R337 HydrophobicContact CG-CB 4.09Å; P246-L338 HydrophobicContact CG-CD1 4.05Å; P246-L338 HydrophobicContact CG-CD2 4.03Å; P246-L338 HydrophobicContact CG-CG 3.9Å
247	Q	93.3	Very high	93.4	Very high	48 Å²	48	28 Å²	28	22%	0.224	17%	0.17	C	C	.	.	H	α-helix	trans	-65	-30.3	168.5	-176.4	66.3	5.2	0	0	112.6	D245 D335 R337	D245-Q247 PolarHBondContact O-N 2.95Å; D245-Q247 VanDerWaalsContact OD1-CB 3.27Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.47Å; D245-Q247 PolarHBondContact OD1-N 2.63Å; Q247-D335 WeakPolarHBondContact CG-O 3.44Å; Q247-D335 PolarHBondContact NE2-OD2 3.05Å; Q247-R337 HydrophobicContact CB-CG 4.23Å
248	D	92.2	Very high	93.2	Very high	29 Å²	29	34.7 Å²	34.7	16%	0.155	21%	0.206	C	C	.	.	H	α-helix	trans	-91.2	-29	179.5	-58.3	-53.5	0	0	0	112.5	Y173 R206 D245 P246 L555	Y173-D248 VanDerWaalsContact CE1-OD2 3.24Å; Y173-D248 WeakPolarHBondContact CE1-OD2 3.5Å; Y173-D248 PolarHBondContact OH-OD1 3.27Å; Y173-D248 PolarHBondContact OH-OD2 2.83Å; R206-D248 IonicContact CZ-OD2 3.59Å; R206-D248 IonicContact NE-OD2 2.95Å; R206-D248 PolarHBondContact NE-OD2 3.02Å; R206-D248 VanDerWaalsContact NE-OD2 3.15Å; R206-D248 IonicContact NH2-OD1 3.21Å; R206-D248 PolarHBondContact NH2-OD1 2.85Å; R206-D248 VanDerWaalsContact NH2-OD1 3.07Å; R206-D248 IonicContact NH2-OD2 3.46Å; R206-D248 PolarHBondContact NH2-OD2 3.41Å; D245-D248 WeakPolarHBondContact O-CA 3.47Å; D245-D248 WeakPolarHBondContact O-CB 3.46Å; D245-D248 PolarHBondContact O-N 3.44Å; P246-D248 VanDerWaalsContact C-N 3.25Å; P246-D248 PolarHBondContact O-N 3.26Å; D248-L555 WeakPolarHBondContact O-CD2 3.35Å
249	F	92.2	Very high	93	Very high	38 Å²	38	34.5 Å²	34.5	17%	0.167	20%	0.204	C	C	.	.	H	α-helix	trans	-120.6	-11.4	-169.1	-64.6	-93.2	0	0	0	115	L207 P244 D245 G261 L262 P559	L207-F249 HydrophobicContact CB-CE2 4.41Å; L207-F249 HydrophobicContact CD2-CZ 4.06Å; L207-F249 HydrophobicContact CG-CZ 4.48Å; P244-F249 HydrophobicContact CB-CD1 4.32Å; P244-F249 HydrophobicContact CB-CD2 3.48Å; P244-F249 VanDerWaalsContact CB-CD2 3.48Å; P244-F249 HydrophobicContact CB-CE1 4.47Å; P244-F249 HydrophobicContact CB-CE2 3.69Å; P244-F249 HydrophobicContact CB-CG 3.87Å; P244-F249 HydrophobicContact CB-CZ 4.18Å; D245-F249 WeakPolarHBondContact O-CD2 3.25Å; D245-F249 PolarHBondContact O-N 3.16Å; D245-F249 VanDerWaalsContact O-N 3.12Å; F249-G261 WeakPolarHBondContact O-CA 3.43Å; F249-L262 HydrophobicContact CB-CB 3.82Å; F249-L262 HydrophobicContact CB-CD2 4.21Å; F249-L262 HydrophobicContact CD1-CD2 4.26Å; F249-L262 HydrophobicContact CG-CD2 4.32Å; F249-L262 PolarHBondContact O-N 2.97Å; F249-P559 WeakPolarHBondContact O-CB 2.91Å
250	A	91.7	Very high	92.6	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.033	22%	0.215	C	C	.	.			trans	-150.2	41.6	-175.7	0	0	0	0	0	111.8	P246 D252 G253 V255 R337	P246-A250 HydrophobicContact CB-CB 4.06Å; P246-A250 CarbonylContact O-C 3.56Å; P246-A250 VanDerWaalsContact O-CA 3.27Å; P246-A250 WeakPolarHBondContact O-CA 3.45Å; P246-A250 PolarHBondContact O-N 3.09Å; A250-D252 VanDerWaalsContact C-N 3.33Å; A250-D252 PolarHBondContact O-N 3.49Å; A250-G253 PolarHBondContact O-N 3.43Å; A250-V255 HydrophobicContact CB-CG1 3.64Å; A250-R337 PolarHBondContact O-NH1 2.84Å
251	A	82.6	Confident	92.4	Very high	52 Å²	52	37.2 Å²	37.2	43%	0.43	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-32.3	-169.2	0	0	0	0	0	113.5	P246 G253 R337	P246-A251 PolarHBondContact O-N 3.24Å; P246-A251 VanDerWaalsContact O-N 3.09Å; A251-G253 VanDerWaalsContact C-N 3.29Å; A251-R337 PolarHBondContact O-NH1 2.88Å; A251-R337 PolarHBondContact O-NH2 3.42Å
252	D	84.5	Confident	92.2	Very high	97 Å²	97	37.2 Å²	37.2	52%	0.519	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-7.9	175.5	59.3	7.2	0	0	0	113.3	A250 L254	A250-D252 VanDerWaalsContact C-N 3.33Å; A250-D252 PolarHBondContact O-N 3.49Å; D252-L254 PolarHBondContact O-N 2.9Å; D252-L254 PolarHBondContact OD1-N 2.71Å
253	G	83.1	Confident	92.1	Very high	48 Å²	48	37.5 Å²	37.5	50%	0.495	22%	0.218	S	C	.	.	S	Bend	trans	74.4	-0.3	-175.3	0	0	0	0	0	114.6	A250 A251 V255	A250-G253 PolarHBondContact O-N 3.43Å; A251-G253 VanDerWaalsContact C-N 3.29Å; G253-V255 PolarHBondContact O-N 3.32Å
254	L	90.8	Very high	91.9	Very high	100 Å²	100	37.7 Å²	37.7	52%	0.524	22%	0.22	S	C	.	.			trans	-92.3	84.8	179.6	-66.3	175.8	0	0	0	109.9	D252 G259 K260 G261	D252-L254 PolarHBondContact O-N 2.9Å; D252-L254 PolarHBondContact OD1-N 2.71Å; L254-G259 CarbonylContact O-C 3.59Å; L254-G259 VanDerWaalsContact O-C 3.31Å; L254-G259 VanDerWaalsContact O-CA 3.27Å; L254-G259 WeakPolarHBondContact O-CA 3.13Å; L254-K260 PolarHBondContact O-N 3.2Å; L254-G261 PolarHBondContact O-N 2.98Å
255	V	94	Very high	91.9	Very high	38 Å²	38	40.7 Å²	40.7	23%	0.23	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-89.2	158.8	-179.6	-57	0	0	0	0	112.9	A250 G253 N258 G259 G261 L262	A250-V255 HydrophobicContact CB-CG1 3.64Å; G253-V255 PolarHBondContact O-N 3.32Å; V255-N258 CarbonylContact O-C 3.56Å; V255-N258 WeakPolarHBondContact O-CA 3.45Å; V255-N258 PolarHBondContact O-N 3.29Å; V255-G259 CarbonylContact C-O 3.5Å; V255-G259 PolarHBondContact O-N 3.21Å; V255-G261 CarbonylContact C-O 3.56Å; V255-G261 VanDerWaalsContact CA-O 3.24Å; V255-G261 WeakPolarHBondContact CA-O 3.32Å; V255-L262 WeakPolarHBondContact CG1-O 3.49Å
256	Y	93.6	Very high	91.9	Very high	45 Å²	45	40.7 Å²	40.7	18%	0.176	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	138.3	174.4	-176	-89.7	0	0	0	111.4	G259 G261 Y565 I567 D569 V570 F574	Y256-G259 WeakPolarHBondContact CA-O 3.31Å; Y256-G259 PolarHBondContact N-O 2.83Å; Y256-G261 PolarHBondContact N-O 3.13Å; Y256-Y565 AromaticContact CD1-CD1 3.61Å; Y256-Y565 HydrophobicContact CD1-CD1 3.61Å; Y256-Y565 HydrophobicContact CD1-CE1 4.07Å; Y256-Y565 HydrophobicContact CE1-CD1 4.11Å; Y256-Y565 HydrophobicContact CG-CD1 4.34Å; Y256-I567 HydrophobicContact CE1-CD1 4.36Å; Y256-D569 WeakPolarHBondContact CE2-OD2 3.21Å; Y256-D569 PolarHBondContact OH-OD2 3.44Å; Y256-V570 HydrophobicContact CD2-CG2 3.78Å; Y256-V570 HydrophobicContact CE2-CG2 3.86Å; Y256-F574 HydrophobicContact CD2-CE2 4.08Å; Y256-F574 HydrophobicContact CE2-CE2 4.45Å
257	P	92	Very high	92	Very high	63 Å²	63	40.3 Å²	40.3	41%	0.409	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	cis	-86.5	-2	2.8	35	-37	0	0	0	115	R573	P257-R573 PolarHBondContact O-NH1 2.97Å; P257-R573 PolarHBondContact O-NH2 3.25Å
258	N	91.6	Very high	92.2	Very high	140 Å²	140	38.2 Å²	38.2	75%	0.749	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-17.1	-175.3	-65.3	-37.6	0	0	0	113.3	V255	V255-N258 CarbonylContact O-C 3.56Å; V255-N258 WeakPolarHBondContact O-CA 3.45Å; V255-N258 PolarHBondContact O-N 3.29Å
259	G	92.2	Very high	92.4	Very high	7 Å²	7	37 Å²	37	7%	0.072	22%	0.218	C	C	.	.	S	Bend	trans	-157.1	-168.9	172.8	0	0	0	0	0	111.2	L254 V255 Y256 F574	L254-G259 CarbonylContact O-C 3.59Å; L254-G259 VanDerWaalsContact O-C 3.31Å; L254-G259 VanDerWaalsContact O-CA 3.27Å; L254-G259 WeakPolarHBondContact O-CA 3.13Å; V255-G259 CarbonylContact C-O 3.5Å; V255-G259 PolarHBondContact O-N 3.21Å; Y256-G259 WeakPolarHBondContact CA-O 3.31Å; Y256-G259 PolarHBondContact N-O 2.83Å; G259-F574 WeakPolarHBondContact O-CZ 3.33Å
260	K	90.6	Very high	92.6	Very high	55 Å²	55	35.2 Å²	35.2	24%	0.239	21%	0.21	C	C	.	.	S	Bend	trans	-88.9	-11.2	-176	61.2	173.4	172.5	170.5	0	114.2	L254 D553 P559 F574	L254-K260 PolarHBondContact O-N 3.2Å; K260-D553 WeakPolarHBondContact CE-OD2 3.37Å; K260-D553 IonicContact NZ-OD1 2.79Å; K260-D553 IonicContact NZ-OD2 3.6Å; K260-D553 PolarHBondContact NZ-OD2 2.96Å; K260-P559 WeakPolarHBondContact O-CB 3.28Å; K260-P559 WeakPolarHBondContact O-CG 3.19Å; K260-F574 HydrophobicContact CB-CB 4.11Å; K260-F574 HydrophobicContact CB-CD1 4.08Å; K260-F574 HydrophobicContact CB-CD2 4.32Å; K260-F574 HydrophobicContact CB-CG 3.92Å
261	G	93.4	Very high	92.7	Very high	2 Å²	2	36.7 Å²	36.7	2%	0.021	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-62.6	153.1	-179.4	0	0	0	0	0	111.6	F249 L254 V255 Y256	F249-G261 WeakPolarHBondContact O-CA 3.43Å; L254-G261 PolarHBondContact O-N 2.98Å; V255-G261 CarbonylContact C-O 3.56Å; V255-G261 VanDerWaalsContact CA-O 3.24Å; V255-G261 WeakPolarHBondContact CA-O 3.32Å; Y256-G261 PolarHBondContact N-O 3.13Å
262	L	95.1	Very high	93.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-71.7	134.3	-179.5	-173.7	68.6	0	0	0	110.9	P244 F249 V255 A266 V268 Y315 P559 V560 T563 Y565	P244-L262 HydrophobicContact CB-CD2 3.65Å; P244-L262 HydrophobicContact CG-CD2 3.6Å; F249-L262 HydrophobicContact CB-CB 3.82Å; F249-L262 HydrophobicContact CB-CD2 4.21Å; F249-L262 HydrophobicContact CD1-CD2 4.26Å; F249-L262 HydrophobicContact CG-CD2 4.32Å; F249-L262 PolarHBondContact O-N 2.97Å; V255-L262 WeakPolarHBondContact CG1-O 3.49Å; L262-A266 HydrophobicContact CD1-CB 3.52Å; L262-A266 HydrophobicContact CD2-CB 4.08Å; L262-A266 HydrophobicContact CG-CB 3.71Å; L262-V268 HydrophobicContact CD2-CG2 4.33Å; L262-Y315 VanDerWaalsContact O-CE1 3.27Å; L262-Y315 WeakPolarHBondContact O-CE1 3.27Å; L262-Y315 PolarHBondContact O-OH 3.3Å; L262-P559 HydrophobicContact CB-CB 4Å; L262-P559 VanDerWaalsContact CD1-O 3.3Å; L262-P559 WeakPolarHBondContact CD1-O 3.16Å; L262-V560 HydrophobicContact CD1-CG1 4.36Å; L262-T563 HydrophobicContact CD1-CG2 3.73Å; L262-T563 HydrophobicContact CD2-CG2 4.49Å; L262-Y565 HydrophobicContact CD1-CD2 4.47Å
263	P	95.6	Very high	93.5	Very high	9 Å²	9	29.7 Å²	29.7	6%	0.058	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-65	157.4	169.7	-27.2	39.9	0	0	0	114.1	D265 A266 Y315 Y565	P263-D265 WeakPolarHBondContact CB-OD1 3.2Å; P263-D265 PolarHBondContact O-N 3.3Å; P263-A266 VanDerWaalsContact O-CB 3.24Å; P263-A266 WeakPolarHBondContact O-CB 3.49Å; P263-A266 PolarHBondContact O-N 3.01Å; P263-Y315 WeakPolarHBondContact O-CE1 3.38Å; P263-Y565 HydrophobicContact CB-CE1 4.21Å; P263-Y565 HydrophobicContact CB-CE2 4.06Å; P263-Y565 HydrophobicContact CG-CD1 3.86Å; P263-Y565 HydrophobicContact CG-CD2 4.18Å; P263-Y565 HydrophobicContact CG-CE1 3.68Å; P263-Y565 HydrophobicContact CG-CE2 4.05Å; P263-Y565 HydrophobicContact CG-CG 4.1Å
264	G	95.7	Very high	93.8	Very high	4 Å²	4	29.3 Å²	29.3	4%	0.041	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-20.8	-171.4	0	0	0	0	0	116.1	A266 G314 Y315 D316	G264-A266 VanDerWaalsContact C-N 3.25Å; G264-A266 PolarHBondContact O-N 3.25Å; G264-G314 CarbonylContact O-C 3.56Å; G264-G314 VanDerWaalsContact O-C 3.3Å; G264-G314 WeakPolarHBondContact O-CA 3.46Å; G264-Y315 VanDerWaalsContact CA-CE1 3.42Å; G264-Y315 WeakPolarHBondContact CA-OH 3.46Å; G264-Y315 PolarHBondContact N-OH 3.39Å; G264-Y315 PolarHBondContact O-N 2.61Å; G264-D316 WeakPolarHBondContact CA-OD2 3.14Å; G264-D316 PolarHBondContact O-N 2.81Å
265	D	95.8	Very high	93.5	Very high	64 Å²	64	27.7 Å²	27.7	34%	0.342	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	8.7	173.8	59.8	-23	0	0	0	112.7	Q126 P263 P267 Y565	Q126-D265 PolarHBondContact OE1-O 3.25Å; P263-D265 WeakPolarHBondContact CB-OD1 3.2Å; P263-D265 PolarHBondContact O-N 3.3Å; D265-P267 WeakPolarHBondContact O-CD 3.47Å; D265-Y565 PolarHBondContact OD1-OH 2.65Å; D265-Y565 PolarHBondContact OD2-OH 2.86Å
266	A	95.7	Very high	92.6	Very high	1 Å²	1	28 Å²	28	1%	0.008	14%	0.143	C	C	.	.			trans	-98.4	92.8	-175.2	0	0	0	0	0	113.2	L262 P263 G264 T563 Y565	L262-A266 HydrophobicContact CD1-CB 3.52Å; L262-A266 HydrophobicContact CD2-CB 4.08Å; L262-A266 HydrophobicContact CG-CB 3.71Å; P263-A266 VanDerWaalsContact O-CB 3.24Å; P263-A266 WeakPolarHBondContact O-CB 3.49Å; P263-A266 PolarHBondContact O-N 3.01Å; G264-A266 VanDerWaalsContact C-N 3.25Å; G264-A266 PolarHBondContact O-N 3.25Å; A266-T563 HydrophobicContact CB-CG2 4.39Å; A266-Y565 HydrophobicContact CB-CD2 3.61Å; A266-Y565 HydrophobicContact CB-CE2 3.44Å; A266-Y565 VanDerWaalsContact CB-CE2 3.44Å
267	P	97.1	Very high	91.2	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.013	17%	0.173	C	C	.	.			trans	-68.4	149	165.5	29.8	-34.2	0	0	0	110.3	V129 V154 D265 P312	V129-P267 HydrophobicContact CG1-CG 3.69Å; V154-P267 HydrophobicContact CB-CG 4.23Å; V154-P267 HydrophobicContact CG1-CB 3.53Å; V154-P267 HydrophobicContact CG1-CG 3.68Å; V154-P267 HydrophobicContact CG2-CB 4.27Å; V154-P267 HydrophobicContact CG2-CG 3.44Å; V154-P267 VanDerWaalsContact CG2-CG 3.44Å; D265-P267 WeakPolarHBondContact O-CD 3.47Å; P267-P312 HydrophobicContact CB-CB 4.34Å
268	V	97.2	Very high	90.2	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.03	16%	0.155	C	C	.	.			trans	-104.9	118.7	-179	-166.6	0	0	0	0	110.5	Q156 L207 R212 P244 L262 P312 Y561 H562 T563	Q156-V268 PolarHBondContact NE2-O 2.89Å; L207-V268 HydrophobicContact CD2-CB 3.53Å; L207-V268 HydrophobicContact CD2-CG1 3.82Å; L207-V268 HydrophobicContact CD2-CG2 3.54Å; R212-V268 VanDerWaalsContact NH2-CG1 3.34Å; P244-V268 HydrophobicContact CB-CG2 3.89Å; P244-V268 HydrophobicContact CG-CG2 3.91Å; L262-V268 HydrophobicContact CD2-CG2 4.33Å; V268-P312 WeakPolarHBondContact O-CB 3.33Å; V268-Y561 WeakPolarHBondContact CG1-O 3.46Å; V268-H562 HydrophobicContact CG1-CB 3.66Å; V268-T563 HydrophobicContact CB-CG2 4.33Å; V268-T563 HydrophobicContact CG1-CG2 4.3Å; V268-T563 HydrophobicContact CG2-CG2 3.87Å
269	F	96.7	Very high	89.8	Confident	4 Å²	4	21.5 Å²	21.5	2%	0.018	13%	0.125	C	C	.	.			trans	-68.6	174.7	175.2	-67.3	-94.5	0	0	0	111.3	V129 P153 V154 Y155 R212 W396 V397 H562	V129-F269 HydrophobicContact CG1-CE2 4.27Å; V129-F269 HydrophobicContact CG1-CZ 4.49Å; V129-F269 HydrophobicContact CG2-CE2 3.89Å; V129-F269 HydrophobicContact CG2-CZ 3.78Å; P153-F269 WeakPolarHBondContact O-CE1 3.47Å; V154-F269 HydrophobicContact CG2-CZ 4.24Å; Y155-F269 HydrophobicContact CD1-CD1 4.28Å; Y155-F269 HydrophobicContact CD1-CE1 4.11Å; Y155-F269 HydrophobicContact CE1-CD1 4.35Å; Y155-F269 HydrophobicContact CE1-CE1 4.31Å; R212-F269 VanDerWaalsContact CZ-O 3.29Å; R212-F269 PolarHBondContact NH2-O 2.84Å; F269-W396 HydrophobicContact CB-CB 4.04Å; F269-W396 HydrophobicContact CB-CD2 3.62Å; F269-W396 HydrophobicContact CB-CE3 3.83Å; F269-W396 HydrophobicContact CB-CG 3.68Å; F269-W396 HydrophobicContact CD1-CE3 4.09Å; F269-W396 HydrophobicContact CG-CB 4.49Å; F269-W396 HydrophobicContact CG-CD2 4.43Å; F269-W396 HydrophobicContact CG-CE3 4.23Å; F269-V397 HydrophobicContact CD2-CG2 4.32Å; F269-V397 HydrophobicContact CE2-CG2 4.03Å; F269-H562 WeakPolarHBondContact CD2-O 3.36Å; F269-H562 PolarHBondContact N-O 3.23Å
270	G	95.1	Very high	89.7	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.123	C	C	.	.			trans	151.8	177.1	175.7	0	0	0	0	0	112.6	Q156 A157	Q156-G270 CarbonylContact C-O 3.47Å; Q156-G270 WeakPolarHBondContact CA-O 3.29Å; Q156-G270 PolarHBondContact OE1-O 3.2Å; A157-G270 PolarHBondContact N-O 3.29Å
271	H	94.1	Very high	89.7	Confident	35 Å²	35	19.1 Å²	19.1	16%	0.162	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-111.5	156	179.9	80.8	104.4	0	0	0	112.8	A157 Y158 Q213 E440	A157-H271 HydrophobicContact CB-CB 4.05Å; A157-H271 CarbonylContact O-C 3.58Å; A157-H271 WeakPolarHBondContact O-CA 3.35Å; Y158-H271 HydrophobicContact CD2-CB 3.99Å; Y158-H271 HydrophobicContact CE2-CB 4.22Å; Q213-H271 PolarHBondContact NE2-CE1 3.44Å; Q213-H271 PolarHBondContact NE2-O 3.09Å; H271-E440 WeakPolarHBondContact CB-O 3.22Å; H271-E440 PolarHBondContact CD2-O 3.49Å
272	M	92.8	Very high	89.4	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.114	C	C	.	.			trans	-132.2	39.4	179.5	-61.4	-164.9	66.1	0	0	112.2	Q156 A157 R212 L216 M274 T306 V310	Q156-M272 HydrophobicContact CB-CG 4.21Å; Q156-M272 HydrophobicContact CB-SD 4.11Å; Q156-M272 HydrophobicContact CG-SD 4.16Å; A157-M272 PolarHBondContact O-N 3.43Å; R212-M272 HydrophobicContact CB-CE 4Å; R212-M272 HydrophobicContact CB-CG 3.91Å; R212-M272 HydrophobicContact CB-SD 4.17Å; R212-M272 WeakPolarHBondContact O-CE 3.47Å; L216-M272 HydrophobicContact CB-CE 3.86Å; L216-M272 HydrophobicContact CD2-CE 4Å; M272-M274 VanDerWaalsContact O-CG 3.26Å; M272-M274 WeakPolarHBondContact O-CG 3.35Å; M272-M274 PolarHBondContact O-N 2.88Å; M272-T306 HydrophobicContact CB-CG2 3.84Å; M272-T306 HydrophobicContact CE-CG2 4.1Å; M272-T306 HydrophobicContact SD-CG2 4.14Å; M272-V310 HydrophobicContact CE-CB 4.37Å; M272-V310 HydrophobicContact CE-CG1 4.13Å; M272-V310 HydrophobicContact CE-CG2 4Å; M272-V310 HydrophobicContact SD-CB 3.65Å; M272-V310 HydrophobicContact SD-CG1 3.49Å; M272-V310 WeakPolarHBondContact SD-CG1 3.3Å; M272-V310 HydrophobicContact SD-CG2 3.89Å
273	N	91.3	Very high	89	Confident	2 Å²	2	19.6 Å²	19.6	1%	0.011	12%	0.117	C	C	.	.			trans	-54.2	111.5	174.3	-177.4	-15.4	0	0	0	109.3	Y158 K275 G280 S282 S442	Y158-N273 HydrophobicContact CD1-CB 4.01Å; Y158-N273 HydrophobicContact CD2-CB 4.02Å; Y158-N273 HydrophobicContact CE1-CB 3.85Å; Y158-N273 HydrophobicContact CE2-CB 3.85Å; Y158-N273 HydrophobicContact CG-CB 4.1Å; N273-K275 PolarHBondContact OD1-N 3.29Å; N273-G280 PolarHBondContact ND2-O 3.29Å; N273-G280 VanDerWaalsContact ND2-O 3.16Å; N273-S282 PolarHBondContact ND2-OG 3.17Å; N273-S282 PolarHBondContact OD1-OG 3.05Å; N273-S442 PolarHBondContact ND2-OG 2.94Å
274	M	89.1	Confident	88.6	Confident	39 Å²	39	19.3 Å²	19.3	19%	0.192	12%	0.115	C	C	.	.			trans	-86.9	-12.8	-172.6	-67.7	-53.1	-67.8	0	0	113.2	Q213 L216 K217 M272 D303 A304 T306	Q213-M274 HydrophobicContact CB-SD 4.03Å; Q213-M274 HydrophobicContact CG-SD 4.15Å; L216-M274 HydrophobicContact CB-CE 4.26Å; L216-M274 HydrophobicContact CD2-CE 3.98Å; L216-M274 HydrophobicContact CD2-CG 4.43Å; L216-M274 HydrophobicContact CD2-SD 3.9Å; L216-M274 HydrophobicContact CG-CE 4.3Å; K217-M274 HydrophobicContact CB-CE 4.37Å; M272-M274 VanDerWaalsContact O-CG 3.26Å; M272-M274 WeakPolarHBondContact O-CG 3.35Å; M272-M274 PolarHBondContact O-N 2.88Å; M274-D303 CarbonylContact C-O 3.54Å; M274-D303 VanDerWaalsContact CB-O 3.27Å; M274-D303 WeakPolarHBondContact CB-O 3.47Å; M274-A304 PolarHBondContact N-O 3.33Å; M274-A304 VanDerWaalsContact N-O 3.15Å; M274-T306 HydrophobicContact CG-CG2 4.31Å
275	K	84.7	Confident	87.9	Confident	67 Å²	67	22.2 Å²	22.2	29%	0.291	13%	0.132	S	C	.	.	S	Bend	trans	-82.1	-42	-171.1	-164.3	170	-169	161.4	0	113	N273 S282 D303	N273-K275 PolarHBondContact OD1-N 3.29Å; K275-S282 PolarHBondContact NZ-O 3.2Å; K275-D303 WeakPolarHBondContact CD-OD2 3.16Å; K275-D303 WeakPolarHBondContact CE-OD2 3.39Å; K275-D303 WeakPolarHBondContact CG-OD1 3.35Å; K275-D303 PolarHBondContact N-O 2.82Å; K275-D303 IonicContact NZ-OD2 3Å; K275-D303 PolarHBondContact NZ-OD2 2.79Å
276	Y	74.2	Confident	87.3	Confident	45 Å²	45	20.4 Å²	20.4	18%	0.176	13%	0.128	C	C	.	.			trans	-128.5	122	-172.1	-58.4	-53.7	0	0	0	113	G278 G279 T285	Y276-G278 PolarHBondContact O-N 2.97Å; Y276-G279 VanDerWaalsContact CB-O 3.24Å; Y276-G279 WeakPolarHBondContact CB-O 3.3Å; Y276-G279 PolarHBondContact O-N 3.46Å; Y276-G279 VanDerWaalsContact O-N 3.16Å; Y276-T285 HydrophobicContact CE1-CG2 4.35Å; Y276-T285 HydrophobicContact CE2-CG2 4.14Å; Y276-T285 WeakPolarHBondContact CE2-OG1 3.32Å; Y276-T285 WeakPolarHBondContact OH-CB 3.48Å; Y276-T285 WeakPolarHBondContact OH-CG2 3.34Å; Y276-T285 PolarHBondContact OH-OG1 3.15Å
277	A	65.9	Low	87	Confident	96 Å²	96	26.4 Å²	26.4	79%	0.793	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.1	-179.9	0	0	0	0	0	114.3
278	G	70.9	Confident	86.8	Confident	4 Å²	4	27 Å²	27	4%	0.041	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	7.8	177.1	0	0	0	0	0	114.2	Y276 I534	Y276-G278 PolarHBondContact O-N 2.97Å; G278-I534 WeakPolarHBondContact O-CG2 3.31Å
279	G	83.4	Confident	86.5	Confident	11 Å²	11	26.7 Å²	26.7	11%	0.113	16%	0.156	C	C	.	.			trans	76.7	-159.9	-172.9	0	0	0	0	0	114.4	Y276 S442	Y276-G279 VanDerWaalsContact CB-O 3.24Å; Y276-G279 WeakPolarHBondContact CB-O 3.3Å; Y276-G279 PolarHBondContact O-N 3.46Å; Y276-G279 VanDerWaalsContact O-N 3.16Å; G279-S442 WeakPolarHBondContact CA-OG 3.47Å
280	G	88.9	Confident	86.4	Confident	4 Å²	4	28.7 Å²	28.7	4%	0.041	17%	0.167	C	C	.	.			trans	100.3	172.2	-168.8	0	0	0	0	0	114.3	N273 S282 S442	N273-G280 PolarHBondContact ND2-O 3.29Å; N273-G280 VanDerWaalsContact ND2-O 3.16Å; G280-S282 PolarHBondContact O-N 3.35Å; G280-S442 PolarHBondContact N-O 3.48Å
281	D	90.4	Very high	86.1	Confident	7 Å²	7	32.1 Å²	32.1	4%	0.037	19%	0.189	C	C	.	.			trans	-78.4	116.5	-179.5	-177.1	-5.9	0	0	0	111.8	T283 C284 T285 L444 H448	D281-T283 PolarHBondContact O-N 3.06Å; D281-T283 WeakPolarHBondContact OD1-CA 3.15Å; D281-T283 WeakPolarHBondContact OD1-CB 3.34Å; D281-T283 PolarHBondContact OD1-N 3.45Å; D281-T283 PolarHBondContact OD1-OG1 3.4Å; D281-T283 PolarHBondContact OD2-OG1 3.32Å; D281-C284 HydrophobicContact CB-CB 4.43Å; D281-C284 PolarHBondContact OD1-N 3.01Å; D281-C284 WeakPolarHBondContact OD2-CB 3.21Å; D281-T285 PolarHBondContact O-OG1 3.15Å; D281-L444 HydrophobicContact CB-CD2 4.02Å; D281-H448 WeakPolarHBondContact CB-CE1 3.22Å; D281-H448 IonicContact OD2-CE1 3.85Å; D281-H448 PolarHBondContact OD2-CE1 2.86Å; D281-H448 IonicContact OD2-NE2 3.56Å
282	S	87.6	Confident	85.8	Confident	4 Å²	4	39.4 Å²	39.4	3%	0.028	22%	0.223	C	C	.	.	S	Bend	trans	-68.2	-21.3	178.9	-68.3	0	0	0	0	114.1	N273 K275 G280	N273-S282 PolarHBondContact ND2-OG 3.17Å; N273-S282 PolarHBondContact OD1-OG 3.05Å; K275-S282 PolarHBondContact NZ-O 3.2Å; G280-S282 PolarHBondContact O-N 3.35Å
283	T	87.4	Confident	85.6	Confident	8 Å²	8	42.1 Å²	42.1	5%	0.049	24%	0.237	C	C	.	.	S	Bend	trans	-94.8	-23.9	-177.3	68.4	0	0	0	0	113.8	T97 D281 R295 T296 L299	T97-T283 HydrophobicContact CG2-CG2 4.4Å; D281-T283 PolarHBondContact O-N 3.06Å; D281-T283 WeakPolarHBondContact OD1-CA 3.15Å; D281-T283 WeakPolarHBondContact OD1-CB 3.34Å; D281-T283 PolarHBondContact OD1-N 3.45Å; D281-T283 PolarHBondContact OD1-OG1 3.4Å; D281-T283 PolarHBondContact OD2-OG1 3.32Å; T283-R295 VanDerWaalsContact O-CA 3.3Å; T283-R295 WeakPolarHBondContact O-CA 3.48Å; T283-R295 WeakPolarHBondContact O-CB 3.37Å; T283-T296 VanDerWaalsContact CA-OG1 3.3Å; T283-T296 WeakPolarHBondContact CA-OG1 3.33Å; T283-T296 VanDerWaalsContact CB-O 3.3Å; T283-T296 WeakPolarHBondContact CB-O 3.37Å; T283-T296 WeakPolarHBondContact CB-OG1 3.3Å; T283-T296 WeakPolarHBondContact CG2-O 3.41Å; T283-T296 PolarHBondContact O-N 2.69Å; T283-L299 HydrophobicContact CG2-CD2 3.51Å; T283-L299 HydrophobicContact CG2-CG 4.33Å
284	C	87.2	Confident	85.5	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.02	28%	0.279	C	S	.	.	S	Bend	trans	-127	54.6	-177.5	-158.8	0	0	0	0	110.7	D281 G286 F287 I293 R295	D281-C284 HydrophobicContact CB-CB 4.43Å; D281-C284 PolarHBondContact OD1-N 3.01Å; D281-C284 WeakPolarHBondContact OD2-CB 3.21Å; C284-G286 PolarHBondContact O-N 2.96Å; C284-F287 PolarHBondContact O-N 3.36Å; C284-I293 WeakPolarHBondContact SG-CG2 3.3Å; C284-R295 HydrophobicContact CB-CB 4.31Å
285	T	81.3	Confident	85.3	Confident	66 Å²	66	53.4 Å²	53.4	41%	0.405	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	126	-171.9	-60.7	0	0	0	0	112.6	Y276 D281 F287	Y276-T285 HydrophobicContact CE1-CG2 4.35Å; Y276-T285 HydrophobicContact CE2-CG2 4.14Å; Y276-T285 WeakPolarHBondContact CE2-OG1 3.32Å; Y276-T285 WeakPolarHBondContact OH-CB 3.48Å; Y276-T285 WeakPolarHBondContact OH-CG2 3.34Å; Y276-T285 PolarHBondContact OH-OG1 3.15Å; D281-T285 PolarHBondContact O-OG1 3.15Å; T285-F287 VanDerWaalsContact O-CD2 3.24Å; T285-F287 WeakPolarHBondContact O-CD2 3.19Å; T285-F287 PolarHBondContact O-N 2.85Å
286	G	82.3	Confident	85.1	Confident	25 Å²	25	53.5 Å²	53.5	26%	0.258	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	0.5	177.1	0	0	0	0	0	114.3	C284	C284-G286 PolarHBondContact O-N 2.96Å
287	F	89.3	Confident	85	Confident	127 Å²	127	57.4 Å²	57.4	56%	0.557	31%	0.309	S	S	*	.	S	Bend	trans	-128.1	157	179.2	-61	-78.7	0	0	0	110.4	C284 T285 I293 H451	C284-F287 PolarHBondContact O-N 3.36Å; T285-F287 VanDerWaalsContact O-CD2 3.24Å; T285-F287 WeakPolarHBondContact O-CD2 3.19Å; T285-F287 PolarHBondContact O-N 2.85Å; F287-I293 HydrophobicContact CB-CG2 4.05Å; F287-H451 PolarHBondContact O-ND1 3.46Å
288	P	92.2	Very high	85.8	Confident	14 Å²	14	57 Å²	57	9%	0.091	30%	0.297	C	S	.	.			trans	-77.1	140	168.9	35	-36.3	0	0	0	109.4	F94 L290 H451 K452	F94-P288 HydrophobicContact CD1-CB 4.45Å; F94-P288 HydrophobicContact CE1-CB 4.12Å; P288-L290 HydrophobicContact CB-CD1 4.13Å; P288-L290 HydrophobicContact CB-CG 3.99Å; P288-L290 HydrophobicContact CG-CD1 3.69Å; P288-L290 HydrophobicContact CG-CG 3.99Å; P288-L290 PolarHBondContact O-N 3.11Å; P288-H451 HydrophobicContact CB-CB 4.13Å; P288-H451 HydrophobicContact CG-CB 4.47Å; P288-K452 HydrophobicContact CB-CB 3.95Å; P288-K452 HydrophobicContact CG-CB 4.14Å
289	S	92.3	Very high	86.7	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.298	C	S	.	.			trans	-78.7	64.1	179.1	-161.1	0	0	0	0	112.2	F94 Y95 H448	F94-S289 CarbonylContact C-O 3.58Å; F94-S289 WeakPolarHBondContact CA-O 3.42Å; Y95-S289 PolarHBondContact N-O 3.22Å; Y95-S289 PolarHBondContact O-OG 3.49Å; S289-H448 PolarHBondContact N-CE1 2.94Å; S289-H448 PolarHBondContact N-ND1 3.04Å
290	L	93.6	Very high	86.9	Confident	45 Å²	45	60.6 Å²	60.6	24%	0.236	32%	0.315	C	S	.	.			trans	-88	164.4	179.5	-67.9	174.4	0	0	0	111.7	F94 P288 H292 I293 R295 K452	F94-L290 HydrophobicContact CD1-CD2 3.8Å; F94-L290 HydrophobicContact CD1-CG 4.36Å; F94-L290 HydrophobicContact CE1-CD2 3.76Å; F94-L290 HydrophobicContact CE1-CG 4.35Å; P288-L290 HydrophobicContact CB-CD1 4.13Å; P288-L290 HydrophobicContact CB-CG 3.99Å; P288-L290 HydrophobicContact CG-CD1 3.69Å; P288-L290 HydrophobicContact CG-CG 3.99Å; P288-L290 PolarHBondContact O-N 3.11Å; L290-H292 PolarHBondContact O-N 3.49Å; L290-I293 HydrophobicContact CB-CG1 4.12Å; L290-I293 PolarHBondContact O-N 3.07Å; L290-R295 PolarHBondContact O-NH2 3.12Å; L290-K452 HydrophobicContact CD1-CD 4.46Å; L290-K452 HydrophobicContact CD1-CG 4.27Å
291	P	89.1	Confident	87	Confident	72 Å²	72	66 Å²	66	47%	0.468	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	140.9	165.1	-26.1	35.7	0	0	0	111.4	Y95 I293	Y95-P291 HydrophobicContact CD2-CG 4.25Å; Y95-P291 HydrophobicContact CE2-CG 3.95Å; P291-I293 PolarHBondContact O-N 3.26Å
292	H	87.2	Confident	86.8	Confident	188 Å²	188	67.4 Å²	67.4	87%	0.87	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	4.9	-179	-46.7	-66.6	0	0	0	117	L290	L290-H292 PolarHBondContact O-N 3.49Å
293	I	90.2	Very high	86.8	Confident	57 Å²	57	70.1 Å²	70.1	29%	0.292	37%	0.369	S	S	.	.			trans	-88.9	124.2	165.2	-59	-62	0	0	0	109.3	C284 F287 L290 P291 R295	C284-I293 WeakPolarHBondContact SG-CG2 3.3Å; F287-I293 HydrophobicContact CB-CG2 4.05Å; L290-I293 HydrophobicContact CB-CG1 4.12Å; L290-I293 PolarHBondContact O-N 3.07Å; P291-I293 PolarHBondContact O-N 3.26Å; I293-R295 PolarHBondContact O-NE 3.32Å; I293-R295 PolarHBondContact O-NH2 3.1Å
294	Y	87.8	Confident	87	Confident	227 Å²	227	69.9 Å²	69.9	89%	0.89	37%	0.368	S	S	*	.			trans	-65	136.5	173.3	-70	-79.6	0	0	0	110.4
295	R	84.6	Confident	87.3	Confident	51 Å²	51	70.6 Å²	70.6	19%	0.192	37%	0.371	C	S	.	.			trans	-138.2	163.1	178.3	67.6	-158.7	76.3	151.5	3.4	109.2	Y95 T283 C284 L290 I293	Y95-R295 PolarHBondContact O-NH1 3.26Å; T283-R295 VanDerWaalsContact O-CA 3.3Å; T283-R295 WeakPolarHBondContact O-CA 3.48Å; T283-R295 WeakPolarHBondContact O-CB 3.37Å; C284-R295 HydrophobicContact CB-CB 4.31Å; L290-R295 PolarHBondContact O-NH2 3.12Å; I293-R295 PolarHBondContact O-NE 3.32Å; I293-R295 PolarHBondContact O-NH2 3.1Å
296	T	80.4	Confident	88	Confident	70 Å²	70	67.4 Å²	67.4	43%	0.429	35%	0.352	S	S	.	.			trans	-77.6	128.4	168.4	61.9	0	0	0	0	109.5	T283 T298	T283-T296 VanDerWaalsContact CA-OG1 3.3Å; T283-T296 WeakPolarHBondContact CA-OG1 3.33Å; T283-T296 VanDerWaalsContact CB-O 3.3Å; T283-T296 WeakPolarHBondContact CB-O 3.37Å; T283-T296 WeakPolarHBondContact CB-OG1 3.3Å; T283-T296 WeakPolarHBondContact CG2-O 3.41Å; T283-T296 PolarHBondContact O-N 2.69Å; T296-T298 PolarHBondContact O-N 2.87Å; T296-T298 VanDerWaalsContact O-N 3.09Å; T296-T298 PolarHBondContact OG1-O 2.93Å
297	D	73.5	Confident	88.5	Confident	127 Å²	127	68.9 Å²	68.9	68%	0.679	35%	0.352	S	S	*	.	S	Bend	trans	-73.1	-1.3	-178.8	-58.7	-33.1	0	0	0	113.1
298	T	82.6	Confident	88.8	Confident	87 Å²	87	63.5 Å²	63.5	53%	0.534	33%	0.329	S	S	.	.	S	Bend	trans	-136.2	151	-177.1	61.7	0	0	0	0	111.7	T296	T296-T298 PolarHBondContact O-N 2.87Å; T296-T298 VanDerWaalsContact O-N 3.09Å; T296-T298 PolarHBondContact OG1-O 2.93Å
299	L	89.2	Confident	89.1	Confident	13 Å²	13	63.3 Å²	63.3	7%	0.068	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-93.7	118.6	164.5	-63.6	174	0	0	0	107.9	T97 P99 Y158 T283 A304 L305 V358	T97-L299 HydrophobicContact CG2-CG 4.17Å; P99-L299 HydrophobicContact CB-CD1 3.74Å; P99-L299 HydrophobicContact CG-CD1 4.16Å; Y158-L299 HydrophobicContact CD1-CD1 4.29Å; Y158-L299 HydrophobicContact CE1-CD1 4.15Å; Y158-L299 HydrophobicContact CE1-CD2 4.44Å; T283-L299 HydrophobicContact CG2-CD2 3.51Å; T283-L299 HydrophobicContact CG2-CG 4.33Å; L299-A304 HydrophobicContact CB-CB 4.22Å; L299-A304 HydrophobicContact CD2-CB 3.91Å; L299-L305 HydrophobicContact CB-CD1 4.09Å; L299-L305 HydrophobicContact CB-CD2 3.8Å; L299-L305 HydrophobicContact CB-CG 3.68Å; L299-L305 HydrophobicContact CD1-CD2 3.91Å; L299-L305 WeakPolarHBondContact O-CD1 3.3Å; L299-V358 HydrophobicContact CB-CG1 4.48Å; L299-V358 HydrophobicContact CB-CG2 4.37Å; L299-V358 HydrophobicContact CD1-CG1 3.97Å; L299-V358 HydrophobicContact CD1-CG2 4.14Å; L299-V358 HydrophobicContact CG-CG1 4.11Å
300	V	88.9	Confident	89.4	Confident	77 Å²	77	63.3 Å²	63.3	47%	0.467	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-80	130.1	-173.9	177.7	0	0	0	0	110.5	G302 D303 A304 L305	V300-G302 PolarHBondContact O-N 3.24Å; V300-D303 HydrophobicContact CB-CB 4.09Å; V300-D303 HydrophobicContact CG1-CB 4.21Å; V300-D303 PolarHBondContact O-N 3.05Å; V300-A304 PolarHBondContact O-N 2.84Å; V300-L305 PolarHBondContact O-N 2.73Å; V300-L305 VanDerWaalsContact O-N 3.08Å
301	Q	89.8	Confident	89.6	Confident	119 Å²	119	61.3 Å²	61.3	56%	0.556	32%	0.317	S	S	*	.	B	Isolated β-bridge	trans	-63.3	127	173.3	-171	178.6	-19	0	0	111	C160 D303 T306 Q307	C160-Q301 HydrophobicContact CB-CG 4.1Å; Q301-D303 VanDerWaalsContact C-N 3.3Å; Q301-T306 VanDerWaalsContact CG-O 3.3Å; Q301-T306 WeakPolarHBondContact CG-O 3.07Å; Q301-Q307 PolarHBondContact NE2-O 3.42Å
302	G	86.4	Confident	90.1	Very high	35 Å²	35	58 Å²	58	36%	0.361	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	-3.5	-177.7	0	0	0	0	0	115.5	V300 L305 Q307	V300-G302 PolarHBondContact O-N 3.24Å; G302-L305 WeakPolarHBondContact CA-O 3.47Å; G302-L305 PolarHBondContact N-O 3.39Å; G302-Q307 PolarHBondContact O-NE2 2.78Å; G302-Q307 VanDerWaalsContact O-NE2 3.07Å
303	D	87.8	Confident	90.6	Very high	62 Å²	62	49.1 Å²	49.1	33%	0.332	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-72.6	168.6	179.8	39.2	0	0	0	110	M274 K275 V300 Q301	M274-D303 CarbonylContact C-O 3.54Å; M274-D303 VanDerWaalsContact CB-O 3.27Å; M274-D303 WeakPolarHBondContact CB-O 3.47Å; K275-D303 WeakPolarHBondContact CD-OD2 3.16Å; K275-D303 WeakPolarHBondContact CE-OD2 3.39Å; K275-D303 WeakPolarHBondContact CG-OD1 3.35Å; K275-D303 PolarHBondContact N-O 2.82Å; K275-D303 IonicContact NZ-OD2 3Å; K275-D303 PolarHBondContact NZ-OD2 2.79Å; V300-D303 HydrophobicContact CB-CB 4.09Å; V300-D303 HydrophobicContact CG1-CB 4.21Å; V300-D303 PolarHBondContact O-N 3.05Å; Q301-D303 VanDerWaalsContact C-N 3.3Å
304	A	91	Very high	91	Very high	2 Å²	2	46.5 Å²	46.5	2%	0.017	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-43.8	177.7	0	0	0	0	0	112.4	Y158 M274 L299 V300	Y158-A304 WeakPolarHBondContact CD1-O 3.12Å; M274-A304 PolarHBondContact N-O 3.33Å; M274-A304 VanDerWaalsContact N-O 3.15Å; L299-A304 HydrophobicContact CB-CB 4.22Å; L299-A304 HydrophobicContact CD2-CB 3.91Å; V300-A304 PolarHBondContact O-N 2.84Å
305	L	94.4	Very high	91.4	Very high	18 Å²	18	36.9 Å²	36.9	9%	0.094	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-85.7	157.8	174.3	-54.3	174.7	0	0	0	110.8	P99 Y158 C160 L299 V300 G302 V358	P99-L305 HydrophobicContact CB-CD2 4.37Å; Y158-L305 HydrophobicContact CD1-CD2 4.26Å; Y158-L305 VanDerWaalsContact O-CA 3.27Å; Y158-L305 WeakPolarHBondContact O-CA 3.22Å; Y158-L305 WeakPolarHBondContact O-CB 3.47Å; Y158-L305 WeakPolarHBondContact O-CD2 3.15Å; C160-L305 HydrophobicContact CB-CB 4.47Å; L299-L305 HydrophobicContact CB-CD1 4.09Å; L299-L305 HydrophobicContact CB-CD2 3.8Å; L299-L305 HydrophobicContact CB-CG 3.68Å; L299-L305 HydrophobicContact CD1-CD2 3.91Å; L299-L305 WeakPolarHBondContact O-CD1 3.3Å; V300-L305 PolarHBondContact O-N 2.73Å; V300-L305 VanDerWaalsContact O-N 3.08Å; G302-L305 WeakPolarHBondContact CA-O 3.47Å; G302-L305 PolarHBondContact N-O 3.39Å; L305-V358 HydrophobicContact CD1-CG2 4.16Å; L305-V358 HydrophobicContact CD2-CG2 4.31Å
306	T	95.5	Very high	92	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.214	C	C	.	.			trans	-59	150.3	175.3	63.6	0	0	0	0	112	Y158 S159 C160 L216 M272 M274 Q301 I308 V310	Y158-T306 PolarHBondContact O-N 3.18Å; S159-T306 WeakPolarHBondContact CA-OG1 3.2Å; C160-T306 WeakPolarHBondContact CB-O 3.44Å; C160-T306 PolarHBondContact N-OG1 3.27Å; L216-T306 VanDerWaalsContact CD2-CB 3.47Å; L216-T306 HydrophobicContact CD2-CG2 3.47Å; L216-T306 VanDerWaalsContact CD2-CG2 3.47Å; M272-T306 HydrophobicContact CB-CG2 3.84Å; M272-T306 HydrophobicContact CE-CG2 4.1Å; M272-T306 HydrophobicContact SD-CG2 4.14Å; M274-T306 HydrophobicContact CG-CG2 4.31Å; Q301-T306 VanDerWaalsContact CG-O 3.3Å; Q301-T306 WeakPolarHBondContact CG-O 3.07Å; T306-I308 VanDerWaalsContact C-N 3.31Å; T306-I308 VanDerWaalsContact CB-O 3.28Å; T306-I308 WeakPolarHBondContact CB-O 3.44Å; T306-I308 PolarHBondContact OG1-O 3.04Å; T306-V310 HydrophobicContact CG2-CG2 3.93Å
307	Q	93.5	Very high	92.9	Very high	56 Å²	56	35.5 Å²	35.5	26%	0.262	20%	0.198	S	C	.	.	S	Bend	trans	-70.8	-30.3	177.3	-66.1	73.1	19.7	0	0	112.1	M220 Q301 G302	M220-Q307 HydrophobicContact CE-CB 4.14Å; M220-Q307 HydrophobicContact CG-CG 4.4Å; M220-Q307 HydrophobicContact SD-CB 3.95Å; M220-Q307 HydrophobicContact SD-CG 4.34Å; Q301-Q307 PolarHBondContact NE2-O 3.42Å; G302-Q307 PolarHBondContact O-NE2 2.78Å; G302-Q307 VanDerWaalsContact O-NE2 3.07Å
308	I	95.7	Very high	94.1	Very high	14 Å²	14	29.5 Å²	29.5	7%	0.072	17%	0.165	C	C	.	.	S	Bend	trans	-132.3	156.6	-179.6	66.9	174.5	0	0	0	109.6	L216 L219 M220 H236 P237 L240 T306 V310	L216-I308 HydrophobicContact CD1-CD1 4.1Å; L216-I308 HydrophobicContact CD1-CG1 3.86Å; L219-I308 HydrophobicContact CD2-CD1 4.29Å; M220-I308 HydrophobicContact CE-CB 4.2Å; M220-I308 HydrophobicContact CE-CD1 3.43Å; M220-I308 VanDerWaalsContact CE-CD1 3.43Å; M220-I308 HydrophobicContact CE-CG1 3.46Å; M220-I308 VanDerWaalsContact CE-CG1 3.46Å; M220-I308 HydrophobicContact CE-CG2 3.8Å; H236-I308 HydrophobicContact CB-CG2 4.35Å; P237-I308 HydrophobicContact CG-CD1 4.16Å; P237-I308 WeakPolarHBondContact O-CD1 3.43Å; P237-I308 WeakPolarHBondContact O-CG2 3.25Å; L240-I308 HydrophobicContact CB-CD1 4.31Å; T306-I308 VanDerWaalsContact C-N 3.31Å; T306-I308 VanDerWaalsContact CB-O 3.28Å; T306-I308 WeakPolarHBondContact CB-O 3.44Å; T306-I308 PolarHBondContact OG1-O 3.04Å; I308-V310 PolarHBondContact O-N 2.9Å
309	P	97.9	Very high	94.8	Very high	10 Å²	10	31.2 Å²	31.2	7%	0.065	17%	0.166	C	C	.	.			trans	-56.5	135.6	174.3	-26.6	35.5	0	0	0	112.1	C160 G238 A239 L240 V354	C160-P309 VanDerWaalsContact SG-N 3.39Å; G238-P309 WeakPolarHBondContact O-CD 3.23Å; A239-P309 VanDerWaalsContact CA-O 3.31Å; A239-P309 WeakPolarHBondContact CA-O 3.28Å; A239-P309 HydrophobicContact CB-CB 4.2Å; A239-P309 WeakPolarHBondContact CB-O 3.29Å; L240-P309 PolarHBondContact N-O 3.41Å; P309-V354 HydrophobicContact CB-CB 4.16Å; P309-V354 HydrophobicContact CB-CG2 3.76Å
310	V	98.3	Very high	95.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	122.5	174.4	-169.3	0	0	0	0	109.4	Q156 S159 L216 L240 L242 M272 T306 I308	Q156-V310 HydrophobicContact CG-CG1 4.42Å; S159-V310 VanDerWaalsContact CB-O 3.32Å; S159-V310 WeakPolarHBondContact CB-O 3.43Å; S159-V310 PolarHBondContact OG-N 3.42Å; S159-V310 PolarHBondContact OG-O 2.78Å; S159-V310 VanDerWaalsContact OG-O 3.11Å; L216-V310 HydrophobicContact CD1-CG2 4.17Å; L216-V310 HydrophobicContact CD2-CG2 4.22Å; L240-V310 HydrophobicContact CB-CG1 4.14Å; L240-V310 HydrophobicContact CB-CG2 4.15Å; L240-V310 HydrophobicContact CD2-CG1 4.1Å; L240-V310 HydrophobicContact CD2-CG2 4.45Å; L240-V310 HydrophobicContact CG-CG1 4.07Å; L240-V310 VanDerWaalsContact O-CA 3.23Å; L240-V310 WeakPolarHBondContact O-CA 3.36Å; L240-V310 WeakPolarHBondContact O-CG1 3.44Å; L242-V310 HydrophobicContact CD1-CG1 3.92Å; L242-V310 HydrophobicContact CG-CG1 4.07Å; M272-V310 HydrophobicContact CE-CB 4.37Å; M272-V310 HydrophobicContact CE-CG1 4.13Å; M272-V310 HydrophobicContact CE-CG2 4Å; M272-V310 HydrophobicContact SD-CB 3.65Å; M272-V310 HydrophobicContact SD-CG1 3.49Å; M272-V310 WeakPolarHBondContact SD-CG1 3.3Å; M272-V310 HydrophobicContact SD-CG2 3.89Å; T306-V310 HydrophobicContact CG2-CG2 3.93Å; I308-V310 PolarHBondContact O-N 2.9Å
311	Q	98.4	Very high	95.7	Very high	3 Å²	3	29.8 Å²	29.8	1%	0.014	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.9	-176	-175.6	61.5	18.6	0	0	110.6	N109 V111 V154 L240 I241 L242 V352 V354	N109-Q311 PolarHBondContact ND2-OE1 2.83Å; V111-Q311 HydrophobicContact CG2-CB 4.17Å; V111-Q311 HydrophobicContact CG2-CG 3.6Å; V154-Q311 PolarHBondContact O-NE2 2.81Å; L240-Q311 PolarHBondContact O-N 3.43Å; I241-Q311 WeakPolarHBondContact CA-O 3.37Å; I241-Q311 HydrophobicContact CD1-CB 3.99Å; L242-Q311 PolarHBondContact N-O 2.79Å; Q311-V352 HydrophobicContact CB-CG1 4.47Å; Q311-V354 HydrophobicContact CB-CG2 4.36Å
312	P	98.2	Very high	96	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.013	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	148.3	170.4	23.8	-10.7	0	0	0	110.9	V154 Q156 L242 P267 V268	V154-P312 HydrophobicContact CG1-CB 4.37Å; V154-P312 HydrophobicContact CG1-CG 3.7Å; Q156-P312 HydrophobicContact CG-CG 3.94Å; L242-P312 CarbonylContact O-C 3.54Å; L242-P312 VanDerWaalsContact O-CA 3.29Å; L242-P312 WeakPolarHBondContact O-CA 3.23Å; P267-P312 HydrophobicContact CB-CB 4.34Å; V268-P312 WeakPolarHBondContact O-CB 3.33Å
313	V	98.6	Very high	96.5	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	14%	0.141	C	C	.	.			trans	-136.7	155.5	170.7	-60.9	0	0	0	0	110	V111 A125 I241 L242 P244 D317 A318 F321	V111-V313 HydrophobicContact CB-CG1 4.31Å; V111-V313 HydrophobicContact CG2-CG1 4Å; A125-V313 HydrophobicContact CB-CG1 4.04Å; I241-V313 HydrophobicContact CG2-CB 4.38Å; I241-V313 HydrophobicContact CG2-CG1 4Å; I241-V313 HydrophobicContact CG2-CG2 3.48Å; I241-V313 VanDerWaalsContact CG2-CG2 3.48Å; L242-V313 PolarHBondContact O-N 3.38Å; P244-V313 VanDerWaalsContact CD-O 3.23Å; P244-V313 WeakPolarHBondContact CD-O 3.42Å; V313-D317 HydrophobicContact CB-CB 4.35Å; V313-A318 HydrophobicContact CG2-CB 4.32Å; V313-F321 HydrophobicContact CG1-CE2 4.39Å
314	G	98	Very high	96.9	Very high	2 Å²	2	24.8 Å²	24.8	2%	0.021	13%	0.132	C	C	.	.			trans	-66.4	162	168.7	0	0	0	0	0	111.6	G264 D316 A318	G264-G314 CarbonylContact O-C 3.56Å; G264-G314 VanDerWaalsContact O-C 3.3Å; G264-G314 WeakPolarHBondContact O-CA 3.46Å; G314-D316 VanDerWaalsContact C-N 3.33Å; G314-A318 PolarHBondContact O-N 3.47Å; G314-A318 VanDerWaalsContact O-N 3.1Å
315	Y	97.4	Very high	97.1	Very high	25 Å²	25	25 Å²	25	10%	0.098	13%	0.133	C	C	.	.	H	α-helix	trans	-76.9	-17.5	-178.9	68.4	-116.1	0	0	0	114.1	P244 P246 L262 P263 G264 A318 K319	P244-Y315 HydrophobicContact CG-CD1 4.4Å; P244-Y315 WeakPolarHBondContact O-CB 3.27Å; P244-Y315 VanDerWaalsContact O-CD1 3.32Å; P244-Y315 WeakPolarHBondContact O-CD1 3.42Å; P246-Y315 HydrophobicContact CB-CD1 4.43Å; P246-Y315 HydrophobicContact CB-CE1 4.39Å; P246-Y315 HydrophobicContact CB-CE2 4.5Å; P246-Y315 HydrophobicContact CB-CG 4.5Å; P246-Y315 HydrophobicContact CG-CD2 4.39Å; P246-Y315 HydrophobicContact CG-CG 4.43Å; L262-Y315 VanDerWaalsContact O-CE1 3.27Å; L262-Y315 WeakPolarHBondContact O-CE1 3.27Å; L262-Y315 PolarHBondContact O-OH 3.3Å; P263-Y315 WeakPolarHBondContact O-CE1 3.38Å; G264-Y315 VanDerWaalsContact CA-CE1 3.42Å; G264-Y315 WeakPolarHBondContact CA-OH 3.46Å; G264-Y315 PolarHBondContact N-OH 3.39Å; G264-Y315 PolarHBondContact O-N 2.61Å; Y315-A318 PolarHBondContact O-N 2.89Å; Y315-K319 WeakPolarHBondContact O-CB 3.41Å; Y315-K319 PolarHBondContact O-N 2.94Å
316	D	97.7	Very high	97.1	Very high	78 Å²	78	27.5 Å²	27.5	42%	0.417	14%	0.144	S	C	.	.	H	α-helix	trans	-68.3	-41.9	172.1	-76.7	-21.9	0	0	0	111	G264 G314 K319 I320	G264-D316 WeakPolarHBondContact CA-OD2 3.14Å; G264-D316 PolarHBondContact O-N 2.81Å; G314-D316 VanDerWaalsContact C-N 3.33Å; D316-K319 WeakPolarHBondContact O-CB 3.22Å; D316-K319 PolarHBondContact O-N 3.37Å; D316-I320 PolarHBondContact O-N 2.77Å
317	D	98.4	Very high	96.9	Very high	15 Å²	15	30 Å²	30	8%	0.08	17%	0.17	C	C	.	.	H	α-helix	trans	-65.6	-45.1	171.4	-69.1	-40.5	0	0	0	111.2	H123 A125 Q126 V313 K319 I320 F321	H123-D317 IonicContact CD2-OD1 3.8Å; H123-D317 IonicContact CE1-OD1 3.66Å; H123-D317 IonicContact NE2-OD1 2.77Å; H123-D317 PolarHBondContact NE2-OD1 3.25Å; A125-D317 VanDerWaalsContact CA-CG 3.49Å; A125-D317 WeakPolarHBondContact CA-OD2 3.36Å; A125-D317 HydrophobicContact CB-CB 3.95Å; A125-D317 WeakPolarHBondContact CB-OD2 3.22Å; Q126-D317 PolarHBondContact N-OD2 3.18Å; V313-D317 HydrophobicContact CB-CB 4.35Å; D317-K319 PolarHBondContact O-N 3.36Å; D317-I320 PolarHBondContact O-N 3.04Å; D317-I320 VanDerWaalsContact O-N 3.11Å; D317-F321 HydrophobicContact CB-CE2 4.2Å; D317-F321 HydrophobicContact CB-CZ 4.42Å; D317-F321 WeakPolarHBondContact O-CD2 3.48Å; D317-F321 WeakPolarHBondContact O-CG 3.35Å; D317-F321 PolarHBondContact O-N 2.97Å; D317-F321 VanDerWaalsContact O-N 3.07Å
318	A	98.2	Very high	96.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59	-37.7	177.4	0	0	0	0	0	111.8	I204 Y243 V313 G314 Y315 I320 F321 L322	I204-A318 HydrophobicContact CD1-CB 4.15Å; Y243-A318 HydrophobicContact CD1-CB 4.05Å; Y243-A318 HydrophobicContact CD2-CB 3.54Å; Y243-A318 HydrophobicContact CE2-CB 4.2Å; Y243-A318 HydrophobicContact CG-CB 3.46Å; Y243-A318 VanDerWaalsContact CG-CB 3.46Å; V313-A318 HydrophobicContact CG2-CB 4.32Å; G314-A318 PolarHBondContact O-N 3.47Å; G314-A318 VanDerWaalsContact O-N 3.1Å; Y315-A318 PolarHBondContact O-N 2.89Å; A318-I320 VanDerWaalsContact C-N 3.32Å; A318-I320 PolarHBondContact O-N 3.46Å; A318-F321 PolarHBondContact O-N 3.44Å; A318-L322 HydrophobicContact CB-CD1 4.42Å; A318-L322 VanDerWaalsContact O-CB 3.26Å; A318-L322 WeakPolarHBondContact O-CB 3.38Å; A318-L322 WeakPolarHBondContact O-CD1 3.37Å; A318-L322 WeakPolarHBondContact O-CG 3.48Å; A318-L322 PolarHBondContact O-N 3.07Å
319	K	97.7	Very high	96.9	Very high	124 Å²	124	33 Å²	33	54%	0.539	19%	0.193	S	C	.	.	H	α-helix	trans	-58.6	-43.3	176.1	-179.9	-179.8	177.7	-176.9	0	111.8	Y315 D316 D317 S323 L338	Y315-K319 WeakPolarHBondContact O-CB 3.41Å; Y315-K319 PolarHBondContact O-N 2.94Å; D316-K319 WeakPolarHBondContact O-CB 3.22Å; D316-K319 PolarHBondContact O-N 3.37Å; D317-K319 PolarHBondContact O-N 3.36Å; K319-S323 WeakPolarHBondContact O-CB 3.48Å; K319-S323 PolarHBondContact O-N 3.01Å; K319-L338 HydrophobicContact CB-CD1 4.24Å; K319-L338 HydrophobicContact CB-CD2 4.09Å; K319-L338 HydrophobicContact CD-CD2 4.27Å; K319-L338 HydrophobicContact CG-CD2 4.09Å
320	I	97.9	Very high	96.7	Very high	60 Å²	60	33.7 Å²	33.7	31%	0.308	20%	0.197	S	C	.	.	H	α-helix	trans	-65.1	-47.4	177.8	-63	167.8	0	0	0	109.8	L113 H123 D316 D317 A318 L322 S323	L113-I320 HydrophobicContact CD2-CG2 4.14Å; H123-I320 HydrophobicContact CB-CG2 4.01Å; H123-I320 VanDerWaalsContact CE1-CD1 3.42Å; H123-I320 WeakPolarHBondContact CE1-CD1 3.32Å; D316-I320 PolarHBondContact O-N 2.77Å; D317-I320 PolarHBondContact O-N 3.04Å; D317-I320 VanDerWaalsContact O-N 3.11Å; A318-I320 VanDerWaalsContact C-N 3.32Å; A318-I320 PolarHBondContact O-N 3.46Å; I320-L322 PolarHBondContact O-N 3.23Å; I320-S323 PolarHBondContact O-N 2.92Å; I320-S323 PolarHBondContact O-OG 2.91Å
321	F	98.2	Very high	96.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.9	-49.7	178.1	-58.4	-24.2	0	0	0	112.5	V111 L113 H123 A125 L168 I204 V313 D317 A318 S323 S324 L350	V111-F321 HydrophobicContact CB-CE2 4.44Å; V111-F321 HydrophobicContact CB-CZ 4.35Å; V111-F321 HydrophobicContact CG1-CE2 3.63Å; V111-F321 HydrophobicContact CG1-CZ 3.71Å; L113-F321 HydrophobicContact CB-CD1 3.92Å; L113-F321 HydrophobicContact CB-CE1 3.79Å; L113-F321 HydrophobicContact CD1-CD1 4.38Å; L113-F321 HydrophobicContact CD2-CD1 4.41Å; L113-F321 HydrophobicContact CG-CD1 4.48Å; H123-F321 AromaticContact CD2-CE1 3.83Å; A125-F321 HydrophobicContact CB-CE2 4.22Å; A125-F321 HydrophobicContact CB-CZ 3.86Å; L168-F321 HydrophobicContact CD2-CB 3.76Å; L168-F321 VanDerWaalsContact CD2-O 3.31Å; L168-F321 WeakPolarHBondContact CD2-O 3.41Å; I204-F321 HydrophobicContact CD1-CD2 4.48Å; V313-F321 HydrophobicContact CG1-CE2 4.39Å; D317-F321 HydrophobicContact CB-CE2 4.2Å; D317-F321 HydrophobicContact CB-CZ 4.42Å; D317-F321 WeakPolarHBondContact O-CD2 3.48Å; D317-F321 WeakPolarHBondContact O-CG 3.35Å; D317-F321 PolarHBondContact O-N 2.97Å; D317-F321 VanDerWaalsContact O-N 3.07Å; A318-F321 PolarHBondContact O-N 3.44Å; F321-S323 VanDerWaalsContact C-N 3.27Å; F321-S323 PolarHBondContact O-N 2.87Å; F321-S324 WeakPolarHBondContact O-CB 3.11Å; F321-S324 PolarHBondContact O-N 2.97Å; F321-S324 VanDerWaalsContact O-N 3.12Å; F321-S324 PolarHBondContact O-OG 2.83Å; F321-L350 HydrophobicContact CD1-CD2 3.84Å; F321-L350 HydrophobicContact CE1-CD2 3.92Å; F321-L350 HydrophobicContact CG-CD2 4.15Å; F321-L350 HydrophobicContact CZ-CD2 4.28Å
322	L	97.8	Very high	95.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.6	-28.4	-178.8	-67.3	169.8	0	0	0	112.6	F170 I204 Y243 A318 I320 S324 L325 L338 A339	F170-L322 HydrophobicContact CB-CD2 4.13Å; F170-L322 HydrophobicContact CD2-CD2 3.86Å; F170-L322 HydrophobicContact CG-CD2 4.16Å; I204-L322 HydrophobicContact CD1-CD2 4.3Å; I204-L322 HydrophobicContact CD1-CG 4.34Å; I204-L322 HydrophobicContact CG2-CD2 3.66Å; Y243-L322 HydrophobicContact CE1-CD1 4.13Å; Y243-L322 HydrophobicContact CE2-CD1 4.19Å; A318-L322 HydrophobicContact CB-CD1 4.42Å; A318-L322 VanDerWaalsContact O-CB 3.26Å; A318-L322 WeakPolarHBondContact O-CB 3.38Å; A318-L322 WeakPolarHBondContact O-CD1 3.37Å; A318-L322 WeakPolarHBondContact O-CG 3.48Å; A318-L322 PolarHBondContact O-N 3.07Å; I320-L322 PolarHBondContact O-N 3.23Å; L322-S324 PolarHBondContact O-N 3.31Å; L322-L325 HydrophobicContact CD2-CD1 3.63Å; L322-L325 WeakPolarHBondContact O-CB 3.43Å; L322-L325 WeakPolarHBondContact O-CG 3.38Å; L322-L325 PolarHBondContact O-N 2.94Å; L322-L338 HydrophobicContact CD1-CB 3.61Å; L322-L338 HydrophobicContact CD1-CD1 4.37Å; L322-A339 HydrophobicContact CD1-CB 4.23Å; L322-A339 HydrophobicContact CD2-CB 4.05Å
323	S	96.2	Very high	95.4	Very high	89 Å²	89	48.2 Å²	48.2	62%	0.622	28%	0.275	S	S	*	.	H	α-helix	trans	-66.9	-18.9	175.4	77	0	0	0	0	113.7	K319 I320 F321 L325	K319-S323 WeakPolarHBondContact O-CB 3.48Å; K319-S323 PolarHBondContact O-N 3.01Å; I320-S323 PolarHBondContact O-N 2.92Å; I320-S323 PolarHBondContact O-OG 2.91Å; F321-S323 VanDerWaalsContact C-N 3.27Å; F321-S323 PolarHBondContact O-N 2.87Å; S323-L325 VanDerWaalsContact C-N 3.34Å
324	S	95.4	Very high	95	Very high	22 Å²	22	48.4 Å²	48.4	15%	0.154	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-3.8	177	76.8	0	0	0	0	114	F321 L322 S345 T348	F321-S324 WeakPolarHBondContact O-CB 3.11Å; F321-S324 PolarHBondContact O-N 2.97Å; F321-S324 VanDerWaalsContact O-N 3.12Å; F321-S324 PolarHBondContact O-OG 2.83Å; L322-S324 PolarHBondContact O-N 3.31Å; S324-S345 WeakPolarHBondContact O-CB 3.49Å; S324-T348 WeakPolarHBondContact CB-OG1 3.26Å; S324-T348 PolarHBondContact OG-OG1 2.85Å
325	L	96.2	Very high	94.4	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.037	30%	0.299	C	S	.	.			trans	-73.5	135.3	-179.8	-67.6	177.5	0	0	0	111.5	L168 F170 L322 S323 H341	L168-L325 HydrophobicContact CB-CD2 3.87Å; L168-L325 HydrophobicContact CD2-CD2 3.97Å; L168-L325 HydrophobicContact CD2-CG 4.26Å; L168-L325 HydrophobicContact CG-CD2 3.8Å; L168-L325 WeakPolarHBondContact O-CD2 3.39Å; F170-L325 HydrophobicContact CB-CD1 3.58Å; L322-L325 HydrophobicContact CD2-CD1 3.63Å; L322-L325 WeakPolarHBondContact O-CB 3.43Å; L322-L325 WeakPolarHBondContact O-CG 3.38Å; L322-L325 PolarHBondContact O-N 2.94Å; S323-L325 VanDerWaalsContact C-N 3.34Å; L325-H341 HydrophobicContact CB-CB 4.12Å; L325-H341 WeakPolarHBondContact CD1-O 3.24Å
326	E	94	Very high	93.9	Very high	70 Å²	70	52.7 Å²	52.7	33%	0.327	30%	0.301	S	S	.	.			trans	-117.1	-165.1	172	-62	178.8	-177.3	0	0	109.3	H341 G343 T346	E326-H341 VanDerWaalsContact O-CB 3.3Å; E326-H341 WeakPolarHBondContact O-CB 3.16Å; E326-G343 CarbonylContact O-C 3.45Å; E326-G343 WeakPolarHBondContact O-CA 3.48Å; E326-G343 PolarHBondContact O-N 3.22Å; E326-T346 PolarHBondContact OE1-OG1 3.03Å; E326-T346 VanDerWaalsContact OE2-CG2 3.29Å; E326-T346 WeakPolarHBondContact OE2-CG2 3.33Å; E326-T346 PolarHBondContact OE2-OG1 3.27Å
327	G	91.4	Very high	93.3	Very high	51 Å²	51	54.7 Å²	54.7	53%	0.526	30%	0.302	S	S	.	.	S	Bend	trans	86.3	-153.8	176.8	0	0	0	0	0	113.5	H341	G327-H341 PolarHBondContact O-CD2 3.3Å; G327-H341 VanDerWaalsContact O-CD2 3.24Å
328	P	93.6	Very high	93.1	Very high	41 Å²	41	55.3 Å²	55.3	27%	0.266	31%	0.306	S	S	.	.	S	Bend	trans	-63.7	138.8	-178.5	-19.3	31.1	0	0	0	112	H341 L342	P328-H341 CarbonylContact O-C 3.5Å; P328-H341 WeakPolarHBondContact O-CA 3.23Å; P328-L342 HydrophobicContact CB-CD1 4.12Å; P328-L342 PolarHBondContact O-N 3.46Å
329	T	94.7	Very high	92.9	Very high	93 Å²	93	55.5 Å²	55.5	57%	0.571	31%	0.307	S	S	*	.	B	Isolated β-bridge	trans	-63.4	145.1	172.9	-47	0	0	0	0	110.5	T340	T329-T340 WeakPolarHBondContact CA-O 3.24Å; T329-T340 VanDerWaalsContact CG2-O 3.28Å; T329-T340 WeakPolarHBondContact CG2-O 3.48Å
330	I	94.1	Very high	92.8	Very high	25 Å²	25	53.2 Å²	53.2	13%	0.128	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-61.8	150.9	174.5	62.9	161	0	0	0	111	F170 W334 T336 A339 T340 L342	F170-I330 HydrophobicContact CD1-CG2 3.98Å; F170-I330 HydrophobicContact CE1-CG2 4.12Å; I330-W334 HydrophobicContact CB-CE3 4.39Å; I330-W334 HydrophobicContact CG2-CE3 4.38Å; I330-T336 HydrophobicContact CD1-CG2 3.34Å; I330-A339 WeakPolarHBondContact CD1-O 3.48Å; I330-A339 HydrophobicContact CG2-CB 4.43Å; I330-T340 PolarHBondContact N-O 2.96Å; I330-L342 HydrophobicContact CG2-CD2 3.94Å; I330-L342 HydrophobicContact CG2-CG 4.49Å
331	P	93.1	Very high	92.7	Very high	24 Å²	24	53 Å²	53	16%	0.156	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-75.3	146.9	175.3	35.1	-37.2	0	0	0	110.8	L181 L185 D333 W334	L181-P331 HydrophobicContact CD2-CB 4.45Å; L181-P331 HydrophobicContact CD2-CG 3.86Å; L185-P331 HydrophobicContact CD1-CB 4.32Å; L185-P331 HydrophobicContact CD1-CG 4.04Å; P331-D333 VanDerWaalsContact CB-OD1 3.23Å; P331-D333 WeakPolarHBondContact CB-OD1 3.44Å; P331-D333 WeakPolarHBondContact CG-OD1 3.4Å; P331-D333 PolarHBondContact O-N 2.62Å; P331-D333 VanDerWaalsContact O-N 3.13Å; P331-W334 HydrophobicContact CG-CB 4.24Å; P331-W334 HydrophobicContact CG-CD2 3.6Å; P331-W334 HydrophobicContact CG-CE3 4.21Å; P331-W334 HydrophobicContact CG-CG 3.57Å; P331-W334 WeakPolarHBondContact O-CB 3.25Å; P331-W334 PolarHBondContact O-N 2.66Å; P331-W334 VanDerWaalsContact O-N 3.08Å
332	N	87.1	Confident	92.5	Very high	165 Å²	165	53 Å²	53	88%	0.882	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-59.4	-27.5	-175.2	-68.1	-16.1	0	0	0	113.8	W334	N332-W334 PolarHBondContact O-N 2.8Å
333	D	87.3	Confident	92.4	Very high	120 Å²	120	53 Å²	53	64%	0.642	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-76.1	-8.9	-179.3	70.1	-41.4	0	0	0	113.6	P331 D335	P331-D333 VanDerWaalsContact CB-OD1 3.23Å; P331-D333 WeakPolarHBondContact CB-OD1 3.44Å; P331-D333 WeakPolarHBondContact CG-OD1 3.4Å; P331-D333 PolarHBondContact O-N 2.62Å; P331-D333 VanDerWaalsContact O-N 3.13Å; D333-D335 VanDerWaalsContact C-N 3.28Å
334	W	90.7	Very high	92.3	Very high	6 Å²	6	51 Å²	51	2%	0.023	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-78.4	-11.5	176.4	-78.7	14.2	0	0	0	113.8	F170 N172 D178 L181 R206 I330 P331 N332 T336 L342	F170-W334 HydrophobicContact CD1-CE3 4.25Å; F170-W334 HydrophobicContact CD1-CZ3 4.05Å; F170-W334 AromaticContact CE1-CE3 3.75Å; F170-W334 HydrophobicContact CE1-CE3 3.75Å; F170-W334 AromaticContact CE1-CZ3 3.97Å; F170-W334 HydrophobicContact CE1-CZ3 3.97Å; N172-W334 HydrophobicContact CB-CD2 3.57Å; N172-W334 HydrophobicContact CB-CE3 3.56Å; N172-W334 HydrophobicContact CB-CG 4.19Å; N172-W334 HydrophobicContact CB-CH2 3.91Å; N172-W334 HydrophobicContact CB-CZ2 3.96Å; N172-W334 HydrophobicContact CB-CZ3 3.7Å; N172-W334 VanDerWaalsContact ND2-CD1 3.29Å; N172-W334 PolarHBondContact ND2-NE1 3.02Å; D178-W334 HydrophobicContact CB-CZ2 4.02Å; L181-W334 HydrophobicContact CB-CZ2 4.34Å; L181-W334 HydrophobicContact CD2-CZ2 4.14Å; L181-W334 HydrophobicContact CG-CZ2 4.37Å; R206-W334 PolarHBondContact NH1-O 2.93Å; I330-W334 HydrophobicContact CB-CE3 4.39Å; I330-W334 HydrophobicContact CG2-CE3 4.38Å; P331-W334 HydrophobicContact CG-CB 4.24Å; P331-W334 HydrophobicContact CG-CD2 3.6Å; P331-W334 HydrophobicContact CG-CE3 4.21Å; P331-W334 HydrophobicContact CG-CG 3.57Å; P331-W334 WeakPolarHBondContact O-CB 3.25Å; P331-W334 PolarHBondContact O-N 2.66Å; P331-W334 VanDerWaalsContact O-N 3.08Å; N332-W334 PolarHBondContact O-N 2.8Å; W334-T336 PolarHBondContact O-N 3.11Å; W334-L342 HydrophobicContact CE3-CD2 4.11Å; W334-L342 HydrophobicContact CH2-CD2 3.85Å; W334-L342 HydrophobicContact CZ3-CD2 3.3Å
335	D	85.4	Confident	92.1	Very high	96 Å²	96	50 Å²	50	51%	0.513	28%	0.279	S	S	.	.			trans	31.5	68.9	169	-169	34.2	0	0	0	112.6	R206 Q247 D333	R206-D335 PolarHBondContact NH1-O 2.99Å; Q247-D335 WeakPolarHBondContact CG-O 3.44Å; Q247-D335 PolarHBondContact NE2-OD2 3.05Å; D333-D335 VanDerWaalsContact C-N 3.28Å
336	T	87	Confident	91.8	Very high	20 Å²	20	53 Å²	53	12%	0.123	30%	0.298	C	S	.	.			trans	-120.5	146.8	176.4	168.1	0	0	0	0	108.1	F170 D245 I330 W334 L338 A339	F170-T336 HydrophobicContact CE1-CG2 4.31Å; F170-T336 HydrophobicContact CZ-CG2 4.28Å; D245-T336 PolarHBondContact OD2-OG1 3.46Å; I330-T336 HydrophobicContact CD1-CG2 3.34Å; W334-T336 PolarHBondContact O-N 3.11Å; T336-L338 PolarHBondContact OG1-N 2.9Å; T336-A339 HydrophobicContact CG2-CB 4.01Å
337	R	84.1	Confident	91.8	Very high	120 Å²	120	56.8 Å²	56.8	45%	0.453	31%	0.313	S	S	.	.	S	Bend	trans	-87	-14.1	-180	-67.6	-179.8	-174.9	-148.9	-11.2	113.8	P246 Q247 A250 A251	P246-R337 HydrophobicContact CG-CB 4.09Å; Q247-R337 HydrophobicContact CB-CG 4.23Å; A250-R337 PolarHBondContact O-NH1 2.84Å; A251-R337 PolarHBondContact O-NH1 2.88Å; A251-R337 PolarHBondContact O-NH2 3.42Å
338	L	94.2	Very high	92	Very high	28 Å²	28	55.1 Å²	55.1	15%	0.147	29%	0.293	C	S	.	.	S	Bend	trans	-113.3	-50.7	-167.9	-58.1	-173.4	0	0	0	112.9	Y243 P246 K319 L322 T336	Y243-L338 HydrophobicContact CD2-CD1 4.39Å; Y243-L338 HydrophobicContact CE2-CD1 3.94Å; P246-L338 HydrophobicContact CG-CD1 4.05Å; P246-L338 HydrophobicContact CG-CD2 4.03Å; P246-L338 HydrophobicContact CG-CG 3.9Å; K319-L338 HydrophobicContact CB-CD1 4.24Å; K319-L338 HydrophobicContact CB-CD2 4.09Å; K319-L338 HydrophobicContact CD-CD2 4.27Å; K319-L338 HydrophobicContact CG-CD2 4.09Å; L322-L338 HydrophobicContact CD1-CB 3.61Å; L322-L338 HydrophobicContact CD1-CD1 4.37Å; T336-L338 PolarHBondContact OG1-N 2.9Å
339	A	94.8	Very high	92.2	Very high	4 Å²	4	53.2 Å²	53.2	3%	0.033	28%	0.281	C	S	.	.			trans	-77.1	138.8	-176.4	0	0	0	0	0	111.2	F170 L322 I330 T336	F170-A339 HydrophobicContact CD1-CB 3.62Å; F170-A339 HydrophobicContact CD2-CB 4.27Å; F170-A339 HydrophobicContact CE1-CB 3.54Å; F170-A339 HydrophobicContact CE2-CB 4.2Å; F170-A339 HydrophobicContact CG-CB 3.98Å; F170-A339 HydrophobicContact CZ-CB 3.83Å; L322-A339 HydrophobicContact CD1-CB 4.23Å; L322-A339 HydrophobicContact CD2-CB 4.05Å; I330-A339 WeakPolarHBondContact CD1-O 3.48Å; I330-A339 HydrophobicContact CG2-CB 4.43Å; T336-A339 HydrophobicContact CG2-CB 4.01Å
340	T	94.9	Very high	92.4	Very high	76 Å²	76	48.8 Å²	48.8	47%	0.466	25%	0.253	S	S	.	.			trans	-117.7	-27.8	174.2	53.4	0	0	0	0	112.5	T329 I330	T329-T340 WeakPolarHBondContact CA-O 3.24Å; T329-T340 VanDerWaalsContact CG2-O 3.28Å; T329-T340 WeakPolarHBondContact CG2-O 3.48Å; I330-T340 PolarHBondContact N-O 2.96Å
341	H	96.4	Very high	92.6	Very high	57 Å²	57	51.4 Å²	51.4	26%	0.264	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-129.4	162	179.5	-58.1	85.3	0	0	0	111.3	L325 E326 G327 P328	L325-H341 HydrophobicContact CB-CB 4.12Å; L325-H341 WeakPolarHBondContact CD1-O 3.24Å; E326-H341 VanDerWaalsContact O-CB 3.3Å; E326-H341 WeakPolarHBondContact O-CB 3.16Å; G327-H341 PolarHBondContact O-CD2 3.3Å; G327-H341 VanDerWaalsContact O-CD2 3.24Å; P328-H341 CarbonylContact O-C 3.5Å; P328-H341 WeakPolarHBondContact O-CA 3.23Å
342	L	94.8	Very high	92.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.257	C	S	.	.			trans	-82.4	-21.8	179.3	-63.6	179.1	0	0	0	113.6	V169 F170 F182 L185 P328 I330 W334	V169-L342 WeakPolarHBondContact CA-O 3.22Å; F170-L342 PolarHBondContact N-O 3.14Å; F182-L342 HydrophobicContact CD2-CB 4.32Å; F182-L342 HydrophobicContact CD2-CD1 4.29Å; F182-L342 HydrophobicContact CD2-CD2 4.28Å; F182-L342 HydrophobicContact CE2-CB 4.07Å; L185-L342 HydrophobicContact CB-CD1 3.55Å; L185-L342 HydrophobicContact CD1-CD1 3.8Å; L185-L342 HydrophobicContact CG-CD1 4.33Å; P328-L342 HydrophobicContact CB-CD1 4.12Å; P328-L342 PolarHBondContact O-N 3.46Å; I330-L342 HydrophobicContact CG2-CD2 3.94Å; I330-L342 HydrophobicContact CG2-CG 4.49Å; W334-L342 HydrophobicContact CE3-CD2 4.11Å; W334-L342 HydrophobicContact CH2-CD2 3.85Å; W334-L342 HydrophobicContact CZ3-CD2 3.3Å
343	G	94.3	Very high	93.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.217	C	C	.	.			trans	84.9	-172.9	-166	0	0	0	0	0	113.5	Q186 E326	Q186-G343 PolarHBondContact NE2-O 2.92Å; E326-G343 CarbonylContact O-C 3.45Å; E326-G343 WeakPolarHBondContact O-CA 3.48Å; E326-G343 PolarHBondContact O-N 3.22Å
344	P	94.5	Very high	93.9	Very high	45 Å²	45	37.1 Å²	37.1	29%	0.292	19%	0.187	S	C	.	.			cis	-68.4	156.4	2.6	29.9	-35.4	0	0	0	112.8	L168 V169 L201	L168-P344 CarbonylContact O-C 3.13Å; L168-P344 WeakPolarHBondContact O-CA 3.35Å; V169-P344 HydrophobicContact CG1-CB 3.92Å; L201-P344 HydrophobicContact CD2-CB 4.14Å
345	S	92	Very high	94.2	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.007	20%	0.2	C	C	.	.			trans	-59.3	148.2	157.9	56.6	0	0	0	0	109.5	Y167 L168 S324 T348	Y167-S345 WeakPolarHBondContact CD1-O 3.25Å; L168-S345 PolarHBondContact N-OG 2.98Å; L168-S345 PolarHBondContact O-N 3.44Å; S324-S345 WeakPolarHBondContact O-CB 3.49Å; S345-T348 WeakPolarHBondContact CB-O 3.37Å; S345-T348 WeakPolarHBondContact CB-OG1 3.41Å; S345-T348 PolarHBondContact OG-O 3.24Å
346	T	90	Very high	94.8	Very high	71 Å²	71	35.9 Å²	35.9	44%	0.436	18%	0.178	S	C	.	.	S	Bend	trans	-112	-30.4	-179.6	64.9	0	0	0	0	113.3	Y167 E326	Y167-T346 WeakPolarHBondContact CE1-O 3.4Å; E326-T346 PolarHBondContact OE1-OG1 3.03Å; E326-T346 VanDerWaalsContact OE2-CG2 3.29Å; E326-T346 WeakPolarHBondContact OE2-CG2 3.33Å; E326-T346 PolarHBondContact OE2-OG1 3.27Å
347	K	93.4	Very high	95.1	Very high	149 Å²	149	39.3 Å²	39.3	65%	0.648	19%	0.193	S	C	*	.	S	Bend	trans	-103.3	-14.5	-176.8	-63.4	172.1	-171.9	161.8	0	113.8	S116	S116-K347 PolarHBondContact N-O 2.78Å
348	T	96.5	Very high	95.5	Very high	17 Å²	17	35.9 Å²	35.9	10%	0.104	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148.1	-174.8	55.7	0	0	0	0	111.1	L113 T114 I122 Y167 S324 S345	L113-T348 HydrophobicContact CD1-CG2 4.49Å; T114-T348 CarbonylContact O-C 3.58Å; T114-T348 WeakPolarHBondContact O-CA 3.48Å; T114-T348 WeakPolarHBondContact O-CB 3.38Å; I122-T348 HydrophobicContact CD1-CG2 3.67Å; Y167-T348 WeakPolarHBondContact CD1-O 3.35Å; S324-T348 WeakPolarHBondContact CB-OG1 3.26Å; S324-T348 PolarHBondContact OG-OG1 2.85Å; S345-T348 WeakPolarHBondContact CB-O 3.37Å; S345-T348 WeakPolarHBondContact CB-OG1 3.41Å; S345-T348 PolarHBondContact OG-O 3.24Å
349	C	97.8	Very high	95.4	Very high	1 Å²	1	35 Å²	35	1%	0.007	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	157.8	174.5	-72	0	0	0	0	109.5	T114 F165 G166 Y167	T114-C349 PolarHBondContact N-O 3.33Å; T114-C349 PolarHBondContact O-N 2.88Å; T114-C349 PolarHBondContact OG1-O 3.36Å; F165-C349 HydrophobicContact CD2-CB 4.27Å; F165-C349 HydrophobicContact CE1-CB 4.05Å; F165-C349 HydrophobicContact CE2-CB 3.56Å; F165-C349 HydrophobicContact CZ-CB 3.43Å; F165-C349 VanDerWaalsContact CZ-CB 3.43Å; G166-C349 CarbonylContact O-C 3.58Å; G166-C349 WeakPolarHBondContact O-CA 3.29Å; G166-C349 WeakPolarHBondContact O-CB 3.08Å; Y167-C349 VanDerWaalsContact CD1-SG 3.58Å; Y167-C349 VanDerWaalsContact CE1-SG 3.58Å
350	L	98	Very high	95	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.4	162.6	-72.2	-171.5	0	0	0	109.7	V111 L112 L113 F165 G166 L168 I202 I241 F321 V352	V111-L350 HydrophobicContact CG1-CD1 4.19Å; V111-L350 HydrophobicContact CG1-CD2 4.32Å; L112-L350 CarbonylContact O-C 3.55Å; L112-L350 WeakPolarHBondContact O-CA 3.48Å; L113-L350 HydrophobicContact CB-CD2 4.05Å; L113-L350 HydrophobicContact CD1-CD2 3.81Å; F165-L350 WeakPolarHBondContact CA-O 3.28Å; G166-L350 PolarHBondContact N-O 2.95Å; G166-L350 PolarHBondContact O-N 3.45Å; L168-L350 HydrophobicContact CD1-CD1 3.49Å; L168-L350 VanDerWaalsContact CD1-CD1 3.49Å; L168-L350 HydrophobicContact CD1-CG 4.2Å; L168-L350 HydrophobicContact CG-CD1 4.45Å; I202-L350 HydrophobicContact CB-CB 4.26Å; I202-L350 HydrophobicContact CB-CD1 4.47Å; I202-L350 HydrophobicContact CG1-CB 4.07Å; I202-L350 HydrophobicContact CG2-CB 4.32Å; I202-L350 HydrophobicContact CG2-CD1 3.98Å; I241-L350 HydrophobicContact CG1-CD1 4.21Å; F321-L350 HydrophobicContact CD1-CD2 3.84Å; F321-L350 HydrophobicContact CE1-CD2 3.92Å; F321-L350 HydrophobicContact CG-CD2 4.15Å; F321-L350 HydrophobicContact CZ-CD2 4.28Å; L350-V352 HydrophobicContact CB-CG2 4.36Å
351	K	98.2	Very high	94.8	Very high	80 Å²	80	46.6 Å²	46.6	35%	0.348	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	116.1	161.1	-174.5	-178.2	173.3	-169.6	0	108.3	L112 T114 S164 F165 V353	L112-K351 HydrophobicContact CB-CB 4.33Å; L112-K351 HydrophobicContact CD1-CD 4.48Å; L112-K351 PolarHBondContact N-O 2.97Å; L112-K351 PolarHBondContact O-N 3.09Å; T114-K351 HydrophobicContact CG2-CB 4.5Å; S164-K351 CarbonylContact O-C 3.59Å; S164-K351 WeakPolarHBondContact O-CA 3.48Å; F165-K351 HydrophobicContact CD2-CB 3.97Å; F165-K351 HydrophobicContact CD2-CG 4.46Å; K351-V353 HydrophobicContact CG-CG2 4.23Å
352	V	98.5	Very high	94.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.6	178.9	-175.2	0	0	0	0	108.3	E110 V111 V163 S164 I202 A239 I241 Q311 L350 V354	E110-V352 CarbonylContact O-C 3.58Å; E110-V352 WeakPolarHBondContact O-CA 3.35Å; V111-V352 HydrophobicContact CG1-CG2 4.39Å; V111-V352 HydrophobicContact CG2-CG1 4.44Å; V163-V352 CarbonylContact C-O 3.4Å; V163-V352 WeakPolarHBondContact CA-O 3.29Å; S164-V352 PolarHBondContact N-O 2.8Å; S164-V352 PolarHBondContact O-N 2.76Å; I202-V352 HydrophobicContact CD1-CG2 4.45Å; I202-V352 HydrophobicContact CG2-CG2 3.99Å; A239-V352 HydrophobicContact CB-CB 4.12Å; A239-V352 HydrophobicContact CB-CG1 4.1Å; A239-V352 HydrophobicContact CB-CG2 4.15Å; I241-V352 HydrophobicContact CD1-CG1 4.22Å; I241-V352 HydrophobicContact CD1-CG2 3.93Å; Q311-V352 HydrophobicContact CB-CG1 4.47Å; L350-V352 HydrophobicContact CB-CG2 4.36Å; V352-V354 HydrophobicContact CG1-CG2 4.14Å
353	V	98.3	Very high	94.4	Very high	8 Å²	8	47.9 Å²	47.9	5%	0.048	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	117	178	-176	0	0	0	0	107.9	N109 E110 V163 K351 H355	N109-V353 CarbonylContact C-O 3.32Å; N109-V353 WeakPolarHBondContact CA-O 3.46Å; N109-V353 WeakPolarHBondContact CB-O 3.36Å; E110-V353 HydrophobicContact CB-CB 4.19Å; E110-V353 PolarHBondContact N-O 3.33Å; E110-V353 PolarHBondContact O-N 3.07Å; V163-V353 HydrophobicContact CG1-CG2 4.29Å; V163-V353 HydrophobicContact CG2-CG1 4.17Å; V163-V353 HydrophobicContact CG2-CG2 4.37Å; K351-V353 HydrophobicContact CG-CG2 4.23Å; V353-H355 WeakPolarHBondContact CG1-NE2 3.48Å
354	V	98.3	Very high	94.4	Very high	1 Å²	1	51 Å²	51	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	121.3	177.5	177.9	0	0	0	0	109.2	C160 S161 G162 P309 Q311 V352 N356	C160-V354 WeakPolarHBondContact O-CG1 3.41Å; S161-V354 CarbonylContact C-O 3.58Å; S161-V354 WeakPolarHBondContact CA-O 3.26Å; S161-V354 WeakPolarHBondContact CB-O 3.44Å; G162-V354 PolarHBondContact N-O 3.13Å; G162-V354 PolarHBondContact O-N 2.96Å; P309-V354 HydrophobicContact CB-CB 4.16Å; P309-V354 HydrophobicContact CB-CG2 3.76Å; Q311-V354 HydrophobicContact CB-CG2 4.36Å; V352-V354 HydrophobicContact CG1-CG2 4.14Å; V354-N356 HydrophobicContact CG1-CB 3.93Å
355	H	97.8	Very high	94.5	Very high	64 Å²	64	48.8 Å²	48.8	30%	0.296	24%	0.243	S	C	.	.			trans	-108.4	15	-178.1	-69.9	-54.7	0	0	0	113.2	P102 P107 W108 N109 V353 Q357	P102-H355 HydrophobicContact CB-CB 3.92Å; P107-H355 WeakPolarHBondContact O-CB 3.49Å; W108-H355 PolarHBondContact O-CD2 2.92Å; N109-H355 PolarHBondContact OD1-N 3.44Å; V353-H355 WeakPolarHBondContact CG1-NE2 3.48Å; H355-Q357 WeakPolarHBondContact O-CG 3.4Å
356	N	96.4	Very high	94.8	Very high	12 Å²	12	48.8 Å²	48.8	6%	0.064	24%	0.242	C	C	.	.			trans	-48.3	141.6	174.9	-70.9	6	0	0	0	112.2	N109 Y155 Q156 S159 V354	N109-N356 PolarHBondContact ND2-OD1 3.29Å; Y155-N356 WeakPolarHBondContact CB-OD1 3.32Å; Q156-N356 PolarHBondContact O-ND2 2.86Å; S159-N356 PolarHBondContact O-ND2 3.12Å; V354-N356 HydrophobicContact CG1-CB 3.93Å
357	Q	93.7	Very high	95.2	Very high	91 Å²	91	45.4 Å²	45.4	43%	0.425	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	156.7	-176.7	-60.2	-170.9	-9.9	0	0	111	P99 L100 G101 P103 H355	P99-Q357 CarbonylContact C-O 3.56Å; L100-Q357 CarbonylContact C-O 3.3Å; L100-Q357 WeakPolarHBondContact CA-O 3.34Å; L100-Q357 PolarHBondContact N-O 3.47Å; L100-Q357 PolarHBondContact O-N 2.91Å; L100-Q357 VanDerWaalsContact O-N 3.08Å; G101-Q357 PolarHBondContact O-N 2.8Å; G101-Q357 VanDerWaalsContact O-N 3.15Å; P103-Q357 VanDerWaalsContact CG-NE2 3.35Å; H355-Q357 WeakPolarHBondContact O-CG 3.4Å
358	V	92.8	Very high	95.4	Very high	48 Å²	48	38.3 Å²	38.3	29%	0.291	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137	164.1	179.2	0	0	0	0	106.9	T97 L98 L299 L305 K360	T97-V358 HydrophobicContact CG2-CG1 3.29Å; L98-V358 WeakPolarHBondContact O-CA 3.43Å; L299-V358 HydrophobicContact CB-CG1 4.48Å; L299-V358 HydrophobicContact CB-CG2 4.37Å; L299-V358 HydrophobicContact CD1-CG1 3.97Å; L299-V358 HydrophobicContact CD1-CG2 4.14Å; L299-V358 HydrophobicContact CG-CG1 4.11Å; L305-V358 HydrophobicContact CD1-CG2 4.16Å; L305-V358 HydrophobicContact CD2-CG2 4.31Å; V358-K360 PolarHBondContact O-N 2.95Å
359	S	91.9	Very high	95.6	Very high	10 Å²	10	37.6 Å²	37.6	7%	0.07	19%	0.186	C	C	.	.			trans	-57	123.4	-179.2	66.7	0	0	0	0	110.3	T97 L98 N361	T97-S359 WeakPolarHBondContact CA-OG 3.3Å; L98-S359 PolarHBondContact N-OG 3.25Å; L98-S359 PolarHBondContact O-N 3.21Å; S359-N361 VanDerWaalsContact C-N 3.26Å; S359-N361 WeakPolarHBondContact CB-O 3.32Å; S359-N361 PolarHBondContact O-N 3.01Å; S359-N361 PolarHBondContact OG-O 3.5Å; S359-N361 VanDerWaalsContact OG-O 3.12Å
360	K	87.6	Confident	95.6	Very high	196 Å²	196	37.5 Å²	37.5	85%	0.852	19%	0.186	S	C	*	.	S	Bend	trans	-64.9	-33.6	-178.8	-67.5	-179.1	179.8	175.7	0	112.6	V358	V358-K360 PolarHBondContact O-N 2.95Å
361	N	89.1	Confident	95.6	Very high	127 Å²	127	39.7 Å²	39.7	68%	0.679	20%	0.197	S	C	*	.	S	Bend	trans	-116.6	153	174.6	-61.5	-50.2	0	0	0	108.4	S359 V363	S359-N361 VanDerWaalsContact C-N 3.26Å; S359-N361 WeakPolarHBondContact CB-O 3.32Å; S359-N361 PolarHBondContact O-N 3.01Å; S359-N361 PolarHBondContact OG-O 3.5Å; S359-N361 VanDerWaalsContact OG-O 3.12Å; N361-V363 PolarHBondContact O-N 3.42Å
362	P	90.6	Very high	95.7	Very high	55 Å²	55	35.9 Å²	35.9	36%	0.357	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-55.1	129.8	171.4	-26	35.4	0	0	0	111.7	V96	V96-P362 CarbonylContact O-C 3.54Å; V96-P362 WeakPolarHBondContact O-CA 3.39Å
363	V	93.2	Very high	95.7	Very high	29 Å²	29	38.2 Å²	38.2	18%	0.176	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	140.9	176.8	-176.9	0	0	0	0	109.1	Y95 V96 L98 N361	Y95-V363 CarbonylContact C-O 3.51Å; Y95-V363 VanDerWaalsContact CA-O 3.31Å; Y95-V363 WeakPolarHBondContact CA-O 3.47Å; V96-V363 PolarHBondContact N-O 2.79Å; V96-V363 PolarHBondContact O-N 2.95Å; L98-V363 HydrophobicContact CB-CG2 4.39Å; L98-V363 HydrophobicContact CD1-CB 3.76Å; L98-V363 HydrophobicContact CD1-CG1 3.69Å; L98-V363 HydrophobicContact CD1-CG2 4.08Å; L98-V363 HydrophobicContact CG-CB 4.04Å; L98-V363 HydrophobicContact CG-CG2 4.28Å; N361-V363 PolarHBondContact O-N 3.42Å
364	K	94.8	Very high	95.6	Very high	65 Å²	65	38.4 Å²	38.4	28%	0.283	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	131.3	-179.9	-168.6	175	77.9	157.4	0	110.5	Y71 E93 F94 Y95	Y71-K364 HydrophobicContact CE1-CB 4.13Å; Y71-K364 HydrophobicContact CE1-CG 4.38Å; Y71-K364 WeakPolarHBondContact CE1-O 3.25Å; Y71-K364 VanDerWaalsContact CZ-O 3.29Å; Y71-K364 WeakPolarHBondContact OH-CB 3.3Å; Y71-K364 PolarHBondContact OH-O 2.99Å; E93-K364 HydrophobicContact CB-CD 4.36Å; E93-K364 HydrophobicContact CB-CG 4.23Å; E93-K364 HydrophobicContact CG-CD 4.2Å; E93-K364 HydrophobicContact CG-CG 4.46Å; E93-K364 WeakPolarHBondContact OE1-CD 3.48Å; E93-K364 IonicContact OE1-NZ 3.41Å; E93-K364 PolarHBondContact OE1-NZ 2.77Å; F94-K364 CarbonylContact O-C 2.95Å; F94-K364 VanDerWaalsContact O-CA 3.3Å; F94-K364 WeakPolarHBondContact O-CA 3.45Å; Y95-K364 HydrophobicContact CD1-CB 4.38Å; Y95-K364 HydrophobicContact CE1-CB 4.19Å; Y95-K364 HydrophobicContact CE1-CD 4.2Å; Y95-K364 HydrophobicContact CE1-CG 4.06Å
365	L	95.9	Very high	95.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	141.4	169.6	-91.9	52.1	0	0	0	107.7	S65 E93 F94 V96 L98 D437 L444	S65-L365 WeakPolarHBondContact OG-CD1 3.44Å; S65-L365 WeakPolarHBondContact OG-CG 3.5Å; E93-L365 CarbonylContact C-O 3.53Å; E93-L365 VanDerWaalsContact CA-O 3.28Å; E93-L365 WeakPolarHBondContact CA-O 3.32Å; F94-L365 HydrophobicContact CB-CB 4.39Å; F94-L365 PolarHBondContact N-O 3.24Å; F94-L365 PolarHBondContact O-N 3.42Å; V96-L365 HydrophobicContact CG1-CD2 4.14Å; V96-L365 HydrophobicContact CG2-CD1 3.42Å; V96-L365 VanDerWaalsContact CG2-CD1 3.42Å; V96-L365 HydrophobicContact CG2-CD2 3.66Å; V96-L365 HydrophobicContact CG2-CG 4.12Å; L98-L365 HydrophobicContact CD1-CD1 4.25Å; L98-L365 HydrophobicContact CD2-CD1 4.38Å; L365-D437 VanDerWaalsContact CA-OD2 3.23Å; L365-D437 WeakPolarHBondContact CA-OD2 3.35Å; L365-D437 HydrophobicContact CB-CB 4.11Å; L365-D437 HydrophobicContact CG-CB 4.16Å; L365-L444 HydrophobicContact CD2-CB 3.82Å; L365-L444 HydrophobicContact CD2-CD1 3.91Å
366	C	97.6	Very high	95.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	93.7	-171.9	-76.1	0	0	0	0	111.7	Y71 A74 H393 D437	Y71-C366 HydrophobicContact CD1-CB 4.47Å; A74-C366 HydrophobicContact CB-CB 4.06Å; C366-H393 PolarHBondContact O-CE1 3.29Å; C366-D437 PolarHBondContact N-OD2 3.16Å
367	N	98.6	Very high	94.9	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	143.9	166.1	-68.4	-3.6	0	0	0	110.1	Q92 F94 S435 W436 D437 G445	Q92-N367 HydrophobicContact CB-CB 4.22Å; Q92-N367 PolarHBondContact N-O 3.49Å; Q92-N367 PolarHBondContact O-N 3.44Å; F94-N367 HydrophobicContact CE2-CB 4.39Å; F94-N367 WeakPolarHBondContact CE2-ND2 3.49Å; N367-S435 VanDerWaalsContact CA-O 3.27Å; N367-S435 WeakPolarHBondContact CA-O 3.48Å; N367-W436 HydrophobicContact CB-CE3 4.27Å; N367-D437 PolarHBondContact OD1-N 2.84Å; N367-G445 PolarHBondContact ND2-O 3.34Å; N367-G445 WeakPolarHBondContact OD1-CA 3.3Å
368	I	98.8	Very high	94.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125	168.2	-51.2	-57.6	0	0	0	108.6	A74 I77 E78 W81 V89 R91 S435	A74-I368 HydrophobicContact CB-CD1 4.33Å; A74-I368 HydrophobicContact CB-CG1 4.2Å; I77-I368 HydrophobicContact CG2-CB 4.14Å; I77-I368 HydrophobicContact CG2-CG1 4.4Å; I77-I368 HydrophobicContact CG2-CG2 4.08Å; E78-I368 HydrophobicContact CB-CD1 4.01Å; E78-I368 HydrophobicContact CB-CG1 4.41Å; E78-I368 HydrophobicContact CB-CG2 4.17Å; W81-I368 HydrophobicContact CD2-CG2 4.49Å; W81-I368 HydrophobicContact CE3-CG2 3.73Å; W81-I368 HydrophobicContact CZ3-CB 4.3Å; W81-I368 HydrophobicContact CZ3-CG2 3.74Å; W81-I368 WeakPolarHBondContact CZ3-O 3.42Å; V89-I368 HydrophobicContact CG1-CG2 3.9Å; R91-I368 HydrophobicContact CB-CD1 4.19Å; R91-I368 HydrophobicContact CG-CD1 4.2Å; I368-S435 PolarHBondContact N-O 2.77Å; I368-S435 PolarHBondContact O-N 2.84Å
369	V	98.9	Very high	93.9	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.012	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	117.4	-176.5	-176.2	0	0	0	0	110	D90 Q92 I371 I432 L433 W436 F449	D90-V369 HydrophobicContact CB-CB 4.42Å; D90-V369 PolarHBondContact N-O 3.11Å; D90-V369 PolarHBondContact O-N 2.85Å; Q92-V369 HydrophobicContact CG-CG2 4.29Å; V369-I371 HydrophobicContact CG1-CD1 4.45Å; V369-I371 HydrophobicContact CG1-CG1 4.07Å; V369-I432 HydrophobicContact CG1-CG2 3.54Å; V369-L433 CarbonylContact C-O 3.54Å; V369-L433 WeakPolarHBondContact CA-O 3.26Å; V369-W436 HydrophobicContact CG2-CZ3 4.03Å; V369-F449 HydrophobicContact CG1-CE2 4.23Å; V369-F449 HydrophobicContact CG2-CD2 4.15Å; V369-F449 HydrophobicContact CG2-CE2 4.07Å
370	G	98.8	Very high	93.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.3	177.7	0	0	0	0	0	108.7	W86 V88 I432 L433	W86-G370 VanDerWaalsContact CE3-C 3.41Å; W86-G370 WeakPolarHBondContact CZ3-O 3.33Å; V88-G370 WeakPolarHBondContact O-CA 3.28Å; G370-I432 CarbonylContact O-C 3.57Å; G370-I432 VanDerWaalsContact O-CA 3.26Å; G370-I432 WeakPolarHBondContact O-CA 3.25Å; G370-L433 PolarHBondContact N-O 2.98Å; G370-L433 PolarHBondContact O-N 3.42Å
371	I	98.8	Very high	93.6	Very high	46 Å²	46	44.1 Å²	44.1	24%	0.236	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123.1	-179.5	-52.3	170.6	0	0	0	109.2	P87 V88 V369 T430 I432	P87-I371 WeakPolarHBondContact CD-O 3.34Å; V88-I371 HydrophobicContact CB-CB 4.05Å; V88-I371 HydrophobicContact CG1-CB 4.37Å; V88-I371 HydrophobicContact CG1-CD1 4.26Å; V88-I371 PolarHBondContact N-O 2.7Å; V88-I371 PolarHBondContact O-N 2.83Å; V369-I371 HydrophobicContact CG1-CD1 4.45Å; V369-I371 HydrophobicContact CG1-CG1 4.07Å; I371-T430 HydrophobicContact CG2-CG2 3.63Å; I371-I432 HydrophobicContact CG1-CG1 4.34Å; I371-I432 HydrophobicContact CG1-CG2 4.35Å; I371-I432 HydrophobicContact CG2-CG1 4.33Å
372	M	98.6	Very high	93.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	100.4	174	-180	178.2	-61.3	0	0	109	W86 G374 L417 Y421 F425 P427 T430 I431	W86-M372 HydrophobicContact CE3-CB 4.18Å; W86-M372 HydrophobicContact CH2-CB 4.24Å; W86-M372 HydrophobicContact CH2-CE 4.17Å; W86-M372 HydrophobicContact CZ2-CE 4.21Å; W86-M372 HydrophobicContact CZ3-CB 3.71Å; W86-M372 HydrophobicContact CZ3-CE 4.43Å; M372-G374 PolarHBondContact O-N 2.83Å; M372-L417 HydrophobicContact CE-CB 3.81Å; M372-L417 WeakPolarHBondContact CE-O 3Å; M372-Y421 HydrophobicContact CE-CD2 4.13Å; M372-Y421 HydrophobicContact CE-CG 4.04Å; M372-Y421 HydrophobicContact CG-CD2 3.31Å; M372-Y421 HydrophobicContact CG-CE2 3.59Å; M372-Y421 HydrophobicContact CG-CG 4.02Å; M372-Y421 HydrophobicContact SD-CD2 3.5Å; M372-Y421 WeakPolarHBondContact SD-CD2 3.36Å; M372-Y421 HydrophobicContact SD-CE2 4.34Å; M372-Y421 HydrophobicContact SD-CG 4.03Å; M372-F425 HydrophobicContact SD-CD1 4.34Å; M372-F425 HydrophobicContact SD-CE1 4.22Å; M372-P427 HydrophobicContact CG-CG 4.31Å; M372-P427 HydrophobicContact SD-CG 4.28Å; M372-T430 WeakPolarHBondContact O-CA 3Å; M372-T430 WeakPolarHBondContact O-CG2 3.19Å; M372-I431 HydrophobicContact CB-CB 4.28Å; M372-I431 PolarHBondContact N-O 2.99Å; M372-I431 PolarHBondContact O-N 3Å; M372-I431 HydrophobicContact SD-CD1 4.3Å
373	P	98.2	Very high	94.2	Very high	49 Å²	49	36.7 Å²	36.7	32%	0.318	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-59.7	136.6	-176.5	-25.2	35.5	0	0	0	112.5	T430	P373-T430 WeakPolarHBondContact CA-OG1 3.28Å
374	G	97.4	Very high	94.3	Very high	12 Å²	12	38.4 Å²	38.4	12%	0.124	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-69.3	158.3	166	0	0	0	0	0	111.6	M372 S383 P427 T430	M372-G374 PolarHBondContact O-N 2.83Å; G374-S383 VanDerWaalsContact C-CB 3.44Å; G374-S383 WeakPolarHBondContact O-CB 3.47Å; G374-P427 CarbonylContact C-O 3.58Å; G374-P427 WeakPolarHBondContact CA-O 3.46Å; G374-T430 PolarHBondContact N-OG1 3.21Å
375	E	95.3	Very high	94.5	Very high	95 Å²	95	35.6 Å²	35.6	44%	0.444	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-96.6	134.4	179	-177.2	172.3	-141.1	0	0	112	T377 K426 P427	E375-T377 HydrophobicContact CG-CG2 4.01Å; E375-K426 HydrophobicContact CB-CB 3.95Å; E375-K426 WeakPolarHBondContact OE2-CB 3.33Å; E375-P427 PolarHBondContact N-O 2.94Å
376	I	93	Very high	94.6	Very high	118 Å²	118	36.8 Å²	36.8	61%	0.605	21%	0.212	S	C	*	.	P	Polyproline II helix	trans	-79.3	124.2	167.5	-61.8	176.2	0	0	0	107.8	S383	I376-S383 WeakPolarHBondContact CG1-OG 3.24Å
377	T	89.2	Confident	94.7	Very high	44 Å²	44	36.8 Å²	36.8	27%	0.27	21%	0.213	S	C	.	.	B	Isolated β-bridge	trans	-125.1	165.7	177.6	73.1	0	0	0	0	110	E375 T379 S380	E375-T377 HydrophobicContact CG-CG2 4.01Å; T377-T379 PolarHBondContact O-N 3.15Å; T377-T379 PolarHBondContact OG1-N 3.27Å; T377-T379 PolarHBondContact OG1-OG1 3.48Å; T377-S380 PolarHBondContact N-O 3.33Å; T377-S380 CarbonylContact O-C 3.57Å; T377-S380 PolarHBondContact O-N 3.42Å; T377-S380 VanDerWaalsContact O-N 3.12Å; T377-S380 WeakPolarHBondContact OG1-CB 3.37Å; T377-S380 PolarHBondContact OG1-N 2.86Å; T377-S380 VanDerWaalsContact OG1-N 3.15Å
378	P	85.1	Confident	94.7	Very high	144 Å²	144	36.8 Å²	36.8	94%	0.935	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-19.7	173.4	-26.8	36.1	0	0	0	114.3
379	T	79.6	Confident	94.7	Very high	56 Å²	56	36.9 Å²	36.9	34%	0.344	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	1.9	-178.3	61.2	0	0	0	0	113.6	T377 R428	T377-T379 PolarHBondContact O-N 3.15Å; T377-T379 PolarHBondContact OG1-N 3.27Å; T377-T379 PolarHBondContact OG1-OG1 3.48Å; T379-R428 PolarHBondContact O-NH1 3.12Å; T379-R428 PolarHBondContact O-NH2 3.31Å
380	S	84.9	Confident	94.7	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.021	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-153.7	132.9	-178.6	-175.3	0	0	0	0	112.9	T377 E382 R428	T377-S380 PolarHBondContact N-O 3.33Å; T377-S380 CarbonylContact O-C 3.57Å; T377-S380 PolarHBondContact O-N 3.42Å; T377-S380 VanDerWaalsContact O-N 3.12Å; T377-S380 WeakPolarHBondContact OG1-CB 3.37Å; T377-S380 PolarHBondContact OG1-N 2.86Å; T377-S380 VanDerWaalsContact OG1-N 3.15Å; S380-E382 PolarHBondContact OG-N 3.41Å; S380-R428 VanDerWaalsContact CB-CZ 3.49Å; S380-R428 WeakPolarHBondContact OG-CG 3.36Å; S380-R428 PolarHBondContact OG-NE 2.83Å
381	T	90.2	Very high	94.7	Very high	81 Å²	81	36.8 Å²	36.8	50%	0.497	21%	0.212	S	C	.	.			trans	-117.9	24.4	170.1	51.6	0	0	0	0	111.9
382	E	95	Very high	94.6	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	20%	0.201	C	C	.	.			trans	-96.8	17.7	-170.7	-64.4	162.2	-159.8	0	0	113.6	S380 D384 Q385 R428 R429 S676 N679	S380-E382 PolarHBondContact OG-N 3.41Å; E382-D384 WeakPolarHBondContact CA-OD1 3.27Å; E382-D384 PolarHBondContact O-N 3.46Å; E382-D384 VanDerWaalsContact O-N 3.14Å; E382-Q385 HydrophobicContact CB-CG 4.21Å; E382-Q385 WeakPolarHBondContact O-CB 3.46Å; E382-Q385 PolarHBondContact O-N 3.07Å; E382-R428 CarbonylContact C-O 3.45Å; E382-R428 IonicContact OE1-CZ 3.3Å; E382-R428 IonicContact OE1-NE 2.91Å; E382-R428 IonicContact OE1-NH2 3.89Å; E382-R428 PolarHBondContact OE1-NH2 3.3Å; E382-R428 IonicContact OE2-CZ 3.11Å; E382-R428 IonicContact OE2-NE 2.84Å; E382-R428 PolarHBondContact OE2-NE 3.48Å; E382-R428 IonicContact OE2-NH2 2.7Å; E382-R428 PolarHBondContact OE2-NH2 3.04Å; E382-R429 HydrophobicContact CB-CG 4.19Å; E382-R429 IonicContact OE2-CZ 2.8Å; E382-R429 IonicContact OE2-NE 3.89Å; E382-R429 PolarHBondContact OE2-NE 3.47Å; E382-R429 IonicContact OE2-NH2 2.69Å; E382-R429 PolarHBondContact OE2-NH2 3.04Å; E382-S676 WeakPolarHBondContact CG-OG 2.99Å; E382-S676 WeakPolarHBondContact OE1-CA 3.41Å; E382-S676 WeakPolarHBondContact OE1-CB 2.96Å; E382-S676 PolarHBondContact OE1-OG 2.94Å; E382-N679 PolarHBondContact OE1-ND2 2.91Å; E382-N679 PolarHBondContact OE2-ND2 3.16Å
383	S	96.5	Very high	94.6	Very high	25 Å²	25	34.7 Å²	34.7	18%	0.175	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-18.5	174.9	58	0	0	0	0	112.5	G374 I376 Q385 R428 T430	G374-S383 VanDerWaalsContact C-CB 3.44Å; G374-S383 WeakPolarHBondContact O-CB 3.47Å; I376-S383 WeakPolarHBondContact CG1-OG 3.24Å; S383-Q385 VanDerWaalsContact C-N 3.32Å; S383-R428 PolarHBondContact N-O 2.79Å; S383-T430 WeakPolarHBondContact O-CB 3.27Å; S383-T430 PolarHBondContact O-OG1 3.5Å
384	D	96.1	Very high	94.6	Very high	65 Å²	65	32.3 Å²	32.3	35%	0.348	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-9.2	173.6	69.3	-35.1	0	0	0	113.9	E382 Y386 R460	E382-D384 WeakPolarHBondContact CA-OD1 3.27Å; E382-D384 PolarHBondContact O-N 3.46Å; E382-D384 VanDerWaalsContact O-N 3.14Å; D384-Y386 WeakPolarHBondContact O-CD1 3.28Å; D384-Y386 VanDerWaalsContact O-CE1 3.3Å; D384-Y386 WeakPolarHBondContact O-CE1 3.45Å; D384-R460 WeakPolarHBondContact O-CB 3.14Å; D384-R460 WeakPolarHBondContact O-CD 3.37Å; D384-R460 WeakPolarHBondContact O-CG 3.49Å
385	Q	97.8	Very high	94.5	Very high	7 Å²	7	31.8 Å²	31.8	3%	0.033	18%	0.18	C	C	.	.			trans	-84.4	135.9	177.5	-66.2	-161.6	-28.6	0	0	111.6	E382 S383 R429 T430 R460 V462	E382-Q385 HydrophobicContact CB-CG 4.21Å; E382-Q385 WeakPolarHBondContact O-CB 3.46Å; E382-Q385 PolarHBondContact O-N 3.07Å; S383-Q385 VanDerWaalsContact C-N 3.32Å; Q385-R429 HydrophobicContact CB-CB 4.21Å; Q385-R429 HydrophobicContact CB-CG 4Å; Q385-R429 WeakPolarHBondContact O-CB 3.31Å; Q385-R429 VanDerWaalsContact OE1-CD 3.31Å; Q385-T430 PolarHBondContact O-N 2.84Å; Q385-R460 CarbonylContact C-O 3.45Å; Q385-R460 WeakPolarHBondContact CA-O 3.45Å; Q385-V462 HydrophobicContact CB-CG2 3.73Å; Q385-V462 HydrophobicContact CG-CG2 4.25Å
386	Y	98.6	Very high	94.4	Very high	24 Å²	24	27.5 Å²	27.5	9%	0.094	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.1	-172.9	-56.6	-15.6	0	0	0	112.1	D384 T430 I432 E456 L457 R460 V462	D384-Y386 WeakPolarHBondContact O-CD1 3.28Å; D384-Y386 VanDerWaalsContact O-CE1 3.3Å; D384-Y386 WeakPolarHBondContact O-CE1 3.45Å; Y386-T430 WeakPolarHBondContact CA-O 3.49Å; Y386-T430 HydrophobicContact CD1-CG2 3.94Å; Y386-T430 HydrophobicContact CE1-CG2 4.16Å; Y386-I432 HydrophobicContact CD1-CD1 4.08Å; Y386-I432 HydrophobicContact CD2-CD1 3.48Å; Y386-I432 VanDerWaalsContact CD2-CD1 3.48Å; Y386-I432 HydrophobicContact CE1-CD1 4.49Å; Y386-I432 HydrophobicContact CE2-CD1 3.92Å; Y386-I432 HydrophobicContact CG-CD1 3.57Å; Y386-I432 HydrophobicContact CG-CG1 4.44Å; Y386-E456 HydrophobicContact CE2-CG 3.95Å; Y386-E456 VanDerWaalsContact CE2-OE1 3.25Å; Y386-E456 WeakPolarHBondContact CE2-OE1 3.31Å; Y386-E456 VanDerWaalsContact CZ-OE1 3.32Å; Y386-E456 PolarHBondContact OH-OE1 3.21Å; Y386-L457 HydrophobicContact CD2-CD2 4.38Å; Y386-R460 HydrophobicContact CD1-CB 4.24Å; Y386-R460 HydrophobicContact CD2-CB 3.83Å; Y386-R460 HydrophobicContact CE1-CB 4.25Å; Y386-R460 HydrophobicContact CE2-CB 3.86Å; Y386-R460 HydrophobicContact CG-CB 4.03Å; Y386-R460 VanDerWaalsContact CZ-CD 3.45Å; Y386-R460 PolarHBondContact N-O 3Å; Y386-R460 WeakPolarHBondContact OH-CD 3.32Å; Y386-R460 PolarHBondContact OH-NH1 3.37Å; Y386-V462 PolarHBondContact O-N 2.92Å
387	I	98.8	Very high	94.4	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	110.1	167.3	-47.7	-43.7	0	0	0	106.4	R429 T430 I431 I432 V462 V463 I598 F601 A602	I387-R429 HydrophobicContact CD1-CB 4.41Å; I387-R429 HydrophobicContact CG1-CB 4.24Å; I387-T430 PolarHBondContact N-O 2.9Å; I387-I431 WeakPolarHBondContact O-CA 3.32Å; I387-I432 PolarHBondContact O-N 2.55Å; I387-V462 HydrophobicContact CD1-CB 3.77Å; I387-V462 HydrophobicContact CD1-CG1 4.11Å; I387-V462 HydrophobicContact CD1-CG2 4.08Å; I387-V463 HydrophobicContact CB-CG1 4.49Å; I387-V463 HydrophobicContact CD1-CG1 4.18Å; I387-V463 HydrophobicContact CG2-CG1 3.76Å; I387-I598 HydrophobicContact CG2-CG2 4.49Å; I387-F601 HydrophobicContact CD1-CB 3.73Å; I387-F601 HydrophobicContact CG1-CB 3.99Å; I387-F601 HydrophobicContact CG2-CB 3.92Å; I387-A602 HydrophobicContact CG1-CB 4.14Å
388	I	98.9	Very high	94.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	132	-173.5	-49.2	-170.6	0	0	0	109.4	I432 W436 F449 L457 C461 V463 Y464 I465 F536	I388-I432 CarbonylContact C-O 3.59Å; I388-I432 VanDerWaalsContact CA-O 3.3Å; I388-I432 WeakPolarHBondContact CA-O 3.45Å; I388-I432 HydrophobicContact CD1-CD1 4.44Å; I388-I432 HydrophobicContact CG1-CB 4.1Å; I388-I432 HydrophobicContact CG1-CD1 4.45Å; I388-I432 HydrophobicContact CG2-CB 4.42Å; I388-I432 HydrophobicContact CG2-CG2 4.44Å; I388-W436 HydrophobicContact CG2-CZ2 4.49Å; I388-F449 HydrophobicContact CD1-CE1 4.23Å; I388-F449 HydrophobicContact CD1-CZ 4.48Å; I388-L457 HydrophobicContact CD1-CD2 3.63Å; I388-C461 HydrophobicContact CD1-CB 4.4Å; I388-V463 PolarHBondContact N-O 3.47Å; I388-Y464 HydrophobicContact CB-CD2 3.95Å; I388-Y464 HydrophobicContact CG2-CD2 3.7Å; I388-Y464 HydrophobicContact CG2-CE2 3.98Å; I388-Y464 CarbonylContact O-C 3.54Å; I388-Y464 WeakPolarHBondContact O-CA 3.42Å; I388-I465 PolarHBondContact O-N 3.36Å; I388-F536 HydrophobicContact CD1-CE1 4.19Å
389	M	98.8	Very high	95	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	140.1	164.4	174.4	-164	172.8	0	0	108.7	I409 L410 I413 I432 L433 G434 I465 I594 I598	M389-I409 HydrophobicContact CE-CG2 4.11Å; M389-L410 HydrophobicContact CE-CB 4.19Å; M389-L410 HydrophobicContact CE-CD1 3.92Å; M389-L410 HydrophobicContact CG-CD1 4.22Å; M389-L410 HydrophobicContact SD-CD1 3.94Å; M389-I413 HydrophobicContact CE-CD1 3.88Å; M389-I413 HydrophobicContact SD-CD1 3.71Å; M389-I413 HydrophobicContact SD-CG2 4.23Å; M389-I432 PolarHBondContact N-O 2.71Å; M389-L433 HydrophobicContact CB-CD2 3.74Å; M389-L433 HydrophobicContact CG-CD2 4.36Å; M389-L433 CarbonylContact O-C 3.54Å; M389-L433 WeakPolarHBondContact O-CA 3.05Å; M389-L433 HydrophobicContact SD-CD2 4.15Å; M389-G434 PolarHBondContact O-N 3.45Å; M389-I465 CarbonylContact C-O 3.58Å; M389-I465 VanDerWaalsContact CA-O 3.25Å; M389-I465 WeakPolarHBondContact CA-O 3.42Å; M389-I465 HydrophobicContact CB-CB 4.23Å; M389-I465 HydrophobicContact CG-CB 4.33Å; M389-I465 HydrophobicContact CG-CG2 4.48Å; M389-I594 HydrophobicContact CE-CD1 4.27Å; M389-I594 HydrophobicContact CE-CG2 3.86Å; M389-I594 HydrophobicContact CG-CG2 4.21Å; M389-I594 HydrophobicContact SD-CG2 3.51Å; M389-I594 VanDerWaalsContact SD-CG2 3.51Å; M389-I598 HydrophobicContact CB-CD1 4.01Å; M389-I598 HydrophobicContact CG-CD1 4.4Å; M389-I598 HydrophobicContact SD-CD1 3.73Å
390	G	98.7	Very high	95.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	157.1	179	0	0	0	0	0	115.3	G434 I465 S467	G390-G434 WeakPolarHBondContact CA-O 3.34Å; G390-I465 PolarHBondContact N-O 3.2Å; G390-S467 PolarHBondContact O-N 2.91Å
391	N	98.6	Very high	96.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	147.1	170.4	-167.9	61.9	0	0	0	109.3	P403 M407 L410 G434 S435 W436 S467 D468	N391-P403 PolarHBondContact ND2-O 3.42Å; N391-M407 HydrophobicContact CB-CE 4.2Å; N391-M407 WeakPolarHBondContact ND2-CA 3.42Å; N391-M407 WeakPolarHBondContact ND2-CE 3.34Å; N391-M407 PolarHBondContact ND2-N 2.95Å; N391-L410 HydrophobicContact CB-CB 4.41Å; N391-L410 HydrophobicContact CB-CD2 4.01Å; N391-G434 PolarHBondContact N-O 2.85Å; N391-S435 CarbonylContact O-C 3.41Å; N391-S435 VanDerWaalsContact O-CA 3.32Å; N391-S435 WeakPolarHBondContact O-CA 3.21Å; N391-W436 PolarHBondContact O-N 2.74Å; N391-S467 PolarHBondContact OD1-O 2.91Å; N391-D468 WeakPolarHBondContact OD1-CA 3.49Å; N391-D468 PolarHBondContact OD1-N 2.8Å
392	H	98.5	Very high	96.6	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	158.9	170	67.3	110.3	0	0	0	112.3	D394 D402 P403 M407 W436 E439 D468 D532	H392-D394 PolarHBondContact CE1-O 3.37Å; H392-D394 IonicContact CG-OD1 2.84Å; H392-D394 PolarHBondContact ND1-O 3.33Å; H392-D394 IonicContact ND1-OD1 3.4Å; H392-D402 IonicContact CE1-OD1 3.14Å; H392-D402 PolarHBondContact CE1-OD1 3.31Å; H392-D402 IonicContact NE2-OD1 3.89Å; H392-D402 PolarHBondContact NE2-OD1 3.04Å; H392-P403 WeakPolarHBondContact O-CB 3.46Å; H392-P403 WeakPolarHBondContact O-CG 3.33Å; H392-M407 WeakPolarHBondContact O-CE 3.38Å; H392-W436 CarbonylContact C-O 3.38Å; H392-W436 WeakPolarHBondContact CA-O 3.43Å; H392-W436 HydrophobicContact CB-CB 4.25Å; H392-W436 WeakPolarHBondContact CB-O 3.33Å; H392-E439 HydrophobicContact CB-CB 3.4Å; H392-E439 HydrophobicContact CB-CG 4.12Å; H392-D468 IonicContact NE2-OD1 3.96Å; H392-D468 IonicContact NE2-OD2 3.07Å; H392-D532 IonicContact CD2-OD2 3.31Å
393	H	97.7	Very high	96.7	Very high	2 Å²	2	7.1 Å²	7.1	1%	0.009	4%	0.038	C	C	.	.			trans	-118.2	-11.8	177	65.3	-90.6	0	0	0	113.6	H63 N70 I73 I77 C366 M407 S435 W436	H63-H393 PolarHBondContact CD2-O 2.91Å; N70-H393 PolarHBondContact ND2-NE2 2.83Å; N70-H393 PolarHBondContact OD1-CD2 2.82Å; I73-H393 HydrophobicContact CG2-CB 3.89Å; I77-H393 HydrophobicContact CD1-CB 4.13Å; C366-H393 PolarHBondContact O-CE1 3.29Å; H393-M407 HydrophobicContact CB-CE 3.53Å; H393-M407 HydrophobicContact CB-SD 4.5Å; H393-S435 PolarHBondContact ND1-OG 2.77Å; H393-W436 PolarHBondContact CE1-O 2.93Å; H393-W436 PolarHBondContact N-O 3.23Å; H393-W436 PolarHBondContact ND1-O 2.93Å
394	D	97.7	Very high	96.7	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.031	C	C	.	.			trans	-76	146	171.2	66.6	-59.4	0	0	0	110.8	H63 N70 H392 P403 G438 E439 E440	H63-D394 WeakPolarHBondContact O-CA 3.39Å; N70-D394 VanDerWaalsContact OD1-CA 3.24Å; N70-D394 WeakPolarHBondContact OD1-CA 3.47Å; H392-D394 PolarHBondContact CE1-O 3.37Å; H392-D394 IonicContact CG-OD1 2.84Å; H392-D394 PolarHBondContact ND1-O 3.33Å; H392-D394 IonicContact ND1-OD1 3.4Å; D394-P403 WeakPolarHBondContact O-CD 3.49Å; D394-P403 WeakPolarHBondContact O-CG 3.37Å; D394-G438 PolarHBondContact OD1-N 3.15Å; D394-G438 WeakPolarHBondContact OD2-CA 3.31Å; D394-G438 PolarHBondContact OD2-N 2.95Å; D394-E439 PolarHBondContact OD1-N 3.3Å; D394-E439 PolarHBondContact OD2-N 2.94Å; D394-E440 WeakPolarHBondContact OD2-CB 3.42Å; D394-E440 PolarHBondContact OD2-N 2.8Å; D394-E440 VanDerWaalsContact OD2-N 3.13Å
395	S	96.5	Very high	96.8	Very high	0 Å²	0	3 Å²	3	0%	0	1%	0.014	C	C	.	.			trans	-135	162.1	177.5	70.2	0	0	0	0	112.8	H63 C64 V397 D402 P403	H63-S395 PolarHBondContact CD2-OG 3.06Å; H63-S395 PolarHBondContact CE1-OG 3.37Å; H63-S395 VanDerWaalsContact CE1-OG 3.27Å; H63-S395 VanDerWaalsContact NE2-CB 3.28Å; H63-S395 WeakPolarHBondContact NE2-CB 3.48Å; H63-S395 PolarHBondContact NE2-OG 2.96Å; H63-S395 PolarHBondContact O-N 2.95Å; C64-S395 WeakPolarHBondContact CA-O 3.24Å; C64-S395 WeakPolarHBondContact CB-O 3.33Å; C64-S395 PolarHBondContact N-O 3.28Å; S395-V397 PolarHBondContact OG-O 3.37Å; S395-V397 VanDerWaalsContact OG-O 3.06Å; S395-D402 WeakPolarHBondContact CB-O 3.45Å; S395-P403 VanDerWaalsContact CB-CD 3.41Å
396	W	93.1	Very high	96.8	Very high	6 Å²	6	2.6 Å²	2.6	2%	0.023	1%	0.012	C	C	.	.	S	Bend	trans	-77.7	123.7	151.8	-59.1	104.8	0	0	0	110.4	Y155 A157 F269 Q398 E440 F441 H562	Y155-W396 HydrophobicContact CE1-CZ3 4.35Å; Y155-W396 HydrophobicContact CE2-CZ3 4.32Å; Y155-W396 AromaticContact CZ-CZ3 3.79Å; Y155-W396 WeakPolarHBondContact OH-CZ3 3.46Å; A157-W396 HydrophobicContact CB-CH2 3.9Å; F269-W396 HydrophobicContact CB-CB 4.04Å; F269-W396 HydrophobicContact CB-CD2 3.62Å; F269-W396 HydrophobicContact CB-CE3 3.83Å; F269-W396 HydrophobicContact CB-CG 3.68Å; F269-W396 HydrophobicContact CD1-CE3 4.09Å; F269-W396 HydrophobicContact CG-CB 4.49Å; F269-W396 HydrophobicContact CG-CD2 4.43Å; F269-W396 HydrophobicContact CG-CE3 4.23Å; W396-Q398 PolarHBondContact O-N 3.23Å; W396-E440 HydrophobicContact CZ2-CB 3.9Å; W396-E440 WeakPolarHBondContact CZ2-O 3.46Å; W396-E440 PolarHBondContact NE1-OE2 3.38Å; W396-F441 HydrophobicContact CH2-CD1 4.45Å; W396-F441 HydrophobicContact CH2-CD2 4.43Å; W396-F441 AromaticContact CH2-CE1 3.88Å; W396-F441 HydrophobicContact CH2-CE1 3.88Å; W396-F441 AromaticContact CH2-CE2 3.84Å; W396-F441 HydrophobicContact CH2-CE2 3.84Å; W396-F441 AromaticContact CH2-CZ 3.54Å; W396-F441 HydrophobicContact CH2-CZ 3.54Å; W396-F441 HydrophobicContact CZ2-CE2 4.49Å; W396-F441 HydrophobicContact CZ3-CE1 4.42Å; W396-F441 HydrophobicContact CZ3-CE2 4.11Å; W396-F441 AromaticContact CZ3-CZ 3.74Å; W396-F441 HydrophobicContact CZ3-CZ 3.74Å; W396-H562 AromaticContact CD1-CD2 3.41Å; W396-H562 VanDerWaalsContact CD1-CD2 3.41Å; W396-H562 AromaticContact CD1-CE1 3.59Å; W396-H562 AromaticContact CD1-CG 3.52Å; W396-H562 AromaticContact CD1-ND1 3.69Å; W396-H562 AromaticContact CD1-NE2 3.43Å; W396-H562 AromaticContact NE1-CE1 3.54Å; W396-H562 AromaticContact NE1-ND1 3.77Å; W396-H562 AromaticContact NE1-NE2 3.79Å
397	V	92.7	Very high	96.8	Very high	6 Å²	6	1.6 Å²	1.6	4%	0.036	1%	0.009	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	-115.8	179	-163	0	0	0	0	110.9	P62 H63 V129 V131 L152 F269 S395 A564	P62-V397 WeakPolarHBondContact CA-O 3.31Å; H63-V397 PolarHBondContact N-O 2.87Å; V129-V397 HydrophobicContact CG2-CG2 4.48Å; V131-V397 HydrophobicContact CB-CG1 4.49Å; V131-V397 HydrophobicContact CG1-CG1 4.06Å; V131-V397 HydrophobicContact CG2-CG1 3.96Å; L152-V397 HydrophobicContact CD1-CB 4.19Å; L152-V397 HydrophobicContact CD1-CG1 3.89Å; L152-V397 HydrophobicContact CD1-CG2 3.83Å; F269-V397 HydrophobicContact CD2-CG2 4.32Å; F269-V397 HydrophobicContact CE2-CG2 4.03Å; S395-V397 PolarHBondContact OG-O 3.37Å; S395-V397 VanDerWaalsContact OG-O 3.06Å; V397-A564 HydrophobicContact CG1-CB 4.33Å
398	Q	92.3	Very high	96.8	Very high	8 Å²	8	1.6 Å²	1.6	4%	0.037	1%	0.008	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-27.3	-176.2	-84.5	179.9	-33.3	0	0	113.7	C58 G60 H63 V131 P132 W396 A400 I567	C58-Q398 WeakPolarHBondContact O-CB 3.48Å; C58-Q398 VanDerWaalsContact O-CD 3.3Å; C58-Q398 WeakPolarHBondContact O-CG 3.39Å; G60-Q398 PolarHBondContact O-NE2 3.18Å; H63-Q398 PolarHBondContact CE1-O 2.9Å; V131-Q398 HydrophobicContact CG1-CG 4.12Å; P132-Q398 PolarHBondContact O-NE2 3.13Å; P132-Q398 VanDerWaalsContact O-NE2 3.13Å; W396-Q398 PolarHBondContact O-N 3.23Å; Q398-A400 PolarHBondContact O-N 3.45Å; Q398-I567 VanDerWaalsContact OE1-CG2 3.28Å
399	G	95.2	Very high	96.8	Very high	0 Å²	0	1.6 Å²	1.6	0%	0	1%	0.008	C	C	.	.			trans	60.8	44.2	167.8	0	0	0	0	0	116.6	C401 D402 G404 D566	G399-C401 PolarHBondContact O-N 3.24Å; G399-D402 CarbonylContact C-O 3.44Å; G399-D402 WeakPolarHBondContact CA-O 3.44Å; G399-D402 CarbonylContact O-C 3.51Å; G399-D402 VanDerWaalsContact O-C 3.23Å; G399-D402 PolarHBondContact O-N 3.43Å; G399-G404 WeakPolarHBondContact O-CA 3.5Å; G399-G404 PolarHBondContact O-N 2.92Å; G399-D566 PolarHBondContact N-O 2.97Å
400	A	95.5	Very high	96.8	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.008	C	C	.	.	I	π-helix	trans	-64.3	-38.4	-177.9	0	0	0	0	0	113.4	M54 C58 Q398 G404 S405 D566 I567 I568 V571	M54-A400 HydrophobicContact SD-CB 4.33Å; C58-A400 HydrophobicContact CB-CB 4.01Å; Q398-A400 PolarHBondContact O-N 3.45Å; A400-G404 CarbonylContact O-C 3.43Å; A400-G404 WeakPolarHBondContact O-CA 3.48Å; A400-S405 PolarHBondContact O-N 2.83Å; A400-D566 PolarHBondContact N-O 3.35Å; A400-D566 PolarHBondContact N-OD1 3.43Å; A400-I567 WeakPolarHBondContact CB-O 3.27Å; A400-I568 HydrophobicContact CB-CG1 4.26Å; A400-V571 HydrophobicContact CB-CG2 3.78Å
401	C	95	Very high	96.8	Very high	2 Å²	2	1.5 Å²	1.5	1%	0.014	1%	0.008	C	C	.	.	I	π-helix	trans	-78.8	-55.1	167.5	-172.4	0	0	0	0	109.9	G399 P403 S405 K472 D566	G399-C401 PolarHBondContact O-N 3.24Å; C401-P403 CarbonylContact O-C 3.48Å; C401-S405 WeakPolarHBondContact O-CB 3.48Å; C401-S405 PolarHBondContact O-N 3.48Å; C401-S405 PolarHBondContact O-OG 3.2Å; C401-K472 VanDerWaalsContact SG-CG 3.54Å; C401-D566 WeakPolarHBondContact CA-OD1 3.44Å; C401-D566 WeakPolarHBondContact CB-OD1 3.24Å; C401-D566 PolarHBondContact N-OD1 3.06Å
402	D	96.7	Very high	96.8	Very high	1 Å²	1	1.5 Å²	1.5	1%	0.005	1%	0.008	C	C	.	.	I	π-helix	trans	-114.6	99.6	-174.7	-163	9.4	0	0	0	112.2	H392 S395 G399 C469 Y561 H562 D566	H392-D402 IonicContact CE1-OD1 3.14Å; H392-D402 PolarHBondContact CE1-OD1 3.31Å; H392-D402 IonicContact NE2-OD1 3.89Å; H392-D402 PolarHBondContact NE2-OD1 3.04Å; S395-D402 WeakPolarHBondContact CB-O 3.45Å; G399-D402 CarbonylContact C-O 3.44Å; G399-D402 WeakPolarHBondContact CA-O 3.44Å; G399-D402 CarbonylContact O-C 3.51Å; G399-D402 VanDerWaalsContact O-C 3.23Å; G399-D402 PolarHBondContact O-N 3.43Å; D402-C469 WeakPolarHBondContact CA-SG 2.97Å; D402-C469 WeakPolarHBondContact CB-SG 2.96Å; D402-C469 PolarHBondContact OD1-SG 3.14Å; D402-C469 VanDerWaalsContact OD1-SG 3.33Å; D402-Y561 HydrophobicContact CB-CD2 4.09Å; D402-Y561 HydrophobicContact CB-CE2 3.74Å; D402-Y561 WeakPolarHBondContact OD2-CE2 3.46Å; D402-Y561 PolarHBondContact OD2-OH 2.82Å; D402-H562 IonicContact OD2-CD2 3.04Å; D402-H562 PolarHBondContact OD2-CD2 3.24Å; D402-H562 IonicContact OD2-CE1 2.98Å; D402-H562 IonicContact OD2-NE2 3.84Å; D402-H562 PolarHBondContact OD2-NE2 3.22Å; D402-D566 PolarHBondContact N-OD2 3.47Å; D402-D566 VanDerWaalsContact N-OD2 3.11Å
403	P	97.2	Very high	96.8	Very high	2 Å²	2	1.5 Å²	1.5	1%	0.013	1%	0.008	C	C	.	.	I	π-helix	cis	-104.4	4.2	9.1	36.7	-33	0	0	0	115.1	N391 H392 D394 S395 C401 S405 G406 M407	N391-P403 PolarHBondContact ND2-O 3.42Å; H392-P403 WeakPolarHBondContact O-CB 3.46Å; H392-P403 WeakPolarHBondContact O-CG 3.33Å; D394-P403 WeakPolarHBondContact O-CD 3.49Å; D394-P403 WeakPolarHBondContact O-CG 3.37Å; S395-P403 VanDerWaalsContact CB-CD 3.41Å; C401-P403 CarbonylContact O-C 3.48Å; P403-S405 VanDerWaalsContact C-N 3.27Å; P403-S405 PolarHBondContact O-N 3.04Å; P403-S405 VanDerWaalsContact O-N 3.13Å; P403-G406 WeakPolarHBondContact O-CA 3.36Å; P403-G406 PolarHBondContact O-N 3.28Å; P403-M407 PolarHBondContact O-N 2.92Å
404	G	97.2	Very high	96.9	Very high	2 Å²	2	1.4 Å²	1.4	2%	0.021	1%	0.008	C	C	.	.	I	π-helix	trans	-49.7	-44.5	-165.8	0	0	0	0	0	113.9	C58 G399 A400 G406 M407 V408	C58-G404 VanDerWaalsContact SG-CA 3.54Å; G399-G404 WeakPolarHBondContact O-CA 3.5Å; G399-G404 PolarHBondContact O-N 2.92Å; A400-G404 CarbonylContact O-C 3.43Å; A400-G404 WeakPolarHBondContact O-CA 3.48Å; G404-G406 PolarHBondContact O-N 2.84Å; G404-M407 PolarHBondContact O-N 2.57Å; G404-M407 VanDerWaalsContact O-N 3.16Å; G404-V408 WeakPolarHBondContact O-CG1 3.19Å; G404-V408 WeakPolarHBondContact O-CG2 3.48Å; G404-V408 PolarHBondContact O-N 2.89Å
405	S	97.8	Very high	96.9	Very high	0 Å²	0	3 Å²	3	0%	0	1%	0.014	C	C	.	.	I	π-helix	trans	-59	-34.6	177.8	67.6	0	0	0	0	113.4	A400 C401 P403 I409 C469 P470 H587	A400-S405 PolarHBondContact O-N 2.83Å; C401-S405 WeakPolarHBondContact O-CB 3.48Å; C401-S405 PolarHBondContact O-N 3.48Å; C401-S405 PolarHBondContact O-OG 3.2Å; P403-S405 VanDerWaalsContact C-N 3.27Å; P403-S405 PolarHBondContact O-N 3.04Å; P403-S405 VanDerWaalsContact O-N 3.13Å; S405-I409 WeakPolarHBondContact O-CD1 3.35Å; S405-I409 WeakPolarHBondContact O-CG1 3.35Å; S405-C469 WeakPolarHBondContact OG-CA 3.37Å; S405-P470 WeakPolarHBondContact OG-CD 3.41Å; S405-H587 VanDerWaalsContact CA-NE2 3.31Å; S405-H587 WeakPolarHBondContact CA-NE2 3.3Å; S405-H587 WeakPolarHBondContact CB-NE2 3.47Å; S405-H587 PolarHBondContact O-CD2 3.3Å
406	G	98.3	Very high	97	Very high	0 Å²	0	3 Å²	3	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-79.3	-40.9	174.3	0	0	0	0	0	113.4	P403 G404 V408 I409 L410 S467	P403-G406 WeakPolarHBondContact O-CA 3.36Å; P403-G406 PolarHBondContact O-N 3.28Å; G404-G406 PolarHBondContact O-N 2.84Å; G406-V408 PolarHBondContact O-N 2.87Å; G406-I409 PolarHBondContact O-N 2.79Å; G406-L410 PolarHBondContact O-N 2.95Å; G406-S467 WeakPolarHBondContact CA-O 3.2Å
407	M	98.1	Very high	97.3	Very high	3 Å²	3	2.7 Å²	2.7	2%	0.015	1%	0.013	C	C	.	.	H	α-helix	trans	-66.1	-40.8	-174.2	-175.8	52.6	51.1	0	0	111.3	F57 I77 N391 H392 H393 P403 G404 I409 L410 Q411	F57-M407 HydrophobicContact CD2-CB 4.32Å; F57-M407 HydrophobicContact CD2-CG 3.62Å; F57-M407 HydrophobicContact CE1-CG 4.42Å; F57-M407 HydrophobicContact CE2-CG 3.5Å; F57-M407 VanDerWaalsContact CE2-CG 3.5Å; F57-M407 HydrophobicContact CE2-SD 4.47Å; F57-M407 HydrophobicContact CG-CG 4.14Å; F57-M407 HydrophobicContact CZ-CG 3.94Å; F57-M407 HydrophobicContact CZ-SD 4.48Å; I77-M407 HydrophobicContact CD1-CE 4.34Å; I77-M407 HydrophobicContact CD1-SD 3.65Å; I77-M407 HydrophobicContact CG1-SD 4.47Å; N391-M407 HydrophobicContact CB-CE 4.2Å; N391-M407 WeakPolarHBondContact ND2-CA 3.42Å; N391-M407 WeakPolarHBondContact ND2-CE 3.34Å; N391-M407 PolarHBondContact ND2-N 2.95Å; H392-M407 WeakPolarHBondContact O-CE 3.38Å; H393-M407 HydrophobicContact CB-CE 3.53Å; H393-M407 HydrophobicContact CB-SD 4.5Å; P403-M407 PolarHBondContact O-N 2.92Å; G404-M407 PolarHBondContact O-N 2.57Å; G404-M407 VanDerWaalsContact O-N 3.16Å; M407-I409 VanDerWaalsContact C-N 3.29Å; M407-I409 PolarHBondContact O-N 3.1Å; M407-L410 HydrophobicContact CE-CD2 4.17Å; M407-L410 PolarHBondContact O-N 2.84Å; M407-L410 HydrophobicContact SD-CD2 4.17Å; M407-Q411 WeakPolarHBondContact O-CG 3.47Å; M407-Q411 PolarHBondContact O-N 3.38Å; M407-Q411 HydrophobicContact SD-CG 4.29Å
408	V	98.4	Very high	97.6	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-64.3	-35.3	176.9	-60	0	0	0	0	112.3	L50 M54 F57 G404 G406 Q411 E412	L50-V408 HydrophobicContact CD2-CB 4.08Å; L50-V408 HydrophobicContact CD2-CG2 4.01Å; M54-V408 HydrophobicContact CB-CG1 4.01Å; M54-V408 HydrophobicContact CE-CG1 4.11Å; M54-V408 HydrophobicContact CE-CG2 3.95Å; M54-V408 VanDerWaalsContact N-CG1 3.32Å; M54-V408 HydrophobicContact SD-CG1 4.44Å; F57-V408 HydrophobicContact CD2-CG1 4.35Å; G404-V408 WeakPolarHBondContact O-CG1 3.19Å; G404-V408 WeakPolarHBondContact O-CG2 3.48Å; G404-V408 PolarHBondContact O-N 2.89Å; G406-V408 PolarHBondContact O-N 2.87Å; V408-Q411 PolarHBondContact O-N 3.02Å; V408-E412 WeakPolarHBondContact O-CB 3.25Å; V408-E412 PolarHBondContact O-N 3.43Å
409	I	98.8	Very high	97.9	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-68.2	-45.1	176	-64.8	-179.9	0	0	0	110.1	M389 S405 G406 M407 Q411 E412 I413 P470 H587 I590 I594	M389-I409 HydrophobicContact CE-CG2 4.11Å; S405-I409 WeakPolarHBondContact O-CD1 3.35Å; S405-I409 WeakPolarHBondContact O-CG1 3.35Å; G406-I409 PolarHBondContact O-N 2.79Å; M407-I409 VanDerWaalsContact C-N 3.29Å; M407-I409 PolarHBondContact O-N 3.1Å; I409-Q411 VanDerWaalsContact C-N 3.33Å; I409-Q411 PolarHBondContact O-N 3.49Å; I409-E412 PolarHBondContact O-N 3.09Å; I409-I413 HydrophobicContact CG2-CD1 4Å; I409-I413 WeakPolarHBondContact O-CB 3.44Å; I409-I413 WeakPolarHBondContact O-CG1 3.3Å; I409-I413 PolarHBondContact O-N 2.9Å; I409-P470 HydrophobicContact CD1-CB 4.37Å; I409-P470 HydrophobicContact CD1-CG 3.65Å; I409-H587 HydrophobicContact CD1-CB 4.49Å; I409-H587 HydrophobicContact CG1-CB 4.48Å; I409-I590 HydrophobicContact CD1-CB 3.89Å; I409-I590 HydrophobicContact CD1-CG2 3.63Å; I409-I594 HydrophobicContact CG2-CD1 4.28Å
410	L	98.8	Very high	98	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-58.2	-45	175.1	-178	66.6	0	0	0	111.5	W81 M389 N391 G406 M407 A414 L433 G434	W81-L410 HydrophobicContact CZ2-CD2 4.17Å; W81-L410 HydrophobicContact CZ2-CG 4.27Å; M389-L410 HydrophobicContact CE-CB 4.19Å; M389-L410 HydrophobicContact CE-CD1 3.92Å; M389-L410 HydrophobicContact CG-CD1 4.22Å; M389-L410 HydrophobicContact SD-CD1 3.94Å; N391-L410 HydrophobicContact CB-CB 4.41Å; N391-L410 HydrophobicContact CB-CD2 4.01Å; G406-L410 PolarHBondContact O-N 2.95Å; M407-L410 HydrophobicContact CE-CD2 4.17Å; M407-L410 PolarHBondContact O-N 2.84Å; M407-L410 HydrophobicContact SD-CD2 4.17Å; L410-A414 VanDerWaalsContact O-CB 3.3Å; L410-A414 WeakPolarHBondContact O-CB 3.28Å; L410-A414 PolarHBondContact O-N 2.86Å; L410-L433 HydrophobicContact CD1-CB 4.1Å; L410-L433 HydrophobicContact CD1-CD1 4.22Å; L410-L433 HydrophobicContact CD1-CD2 4.04Å; L410-L433 HydrophobicContact CD1-CG 4.33Å; L410-G434 WeakPolarHBondContact CD2-O 3.47Å
411	Q	98.8	Very high	98.2	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-66.4	-40.6	178.6	-69.5	-47.9	-65.2	0	0	112.8	F49 Y53 F57 W81 W84 M407 V408 I409 A414 R415	F49-Q411 HydrophobicContact CE1-CB 4.05Å; F49-Q411 HydrophobicContact CZ-CB 4.09Å; Y53-Q411 HydrophobicContact CD1-CB 3.85Å; Y53-Q411 HydrophobicContact CD1-CG 3.88Å; Y53-Q411 HydrophobicContact CE1-CB 4.16Å; Y53-Q411 HydrophobicContact CE1-CG 4.19Å; F57-Q411 HydrophobicContact CE2-CG 3.55Å; F57-Q411 HydrophobicContact CZ-CG 3.65Å; W81-Q411 VanDerWaalsContact NE1-OE1 3.08Å; W84-Q411 HydrophobicContact CH2-CB 4.07Å; W84-Q411 HydrophobicContact CZ3-CB 4.37Å; W84-Q411 VanDerWaalsContact CZ3-O 3.32Å; W84-Q411 WeakPolarHBondContact CZ3-O 3.26Å; M407-Q411 WeakPolarHBondContact O-CG 3.47Å; M407-Q411 PolarHBondContact O-N 3.38Å; M407-Q411 HydrophobicContact SD-CG 4.29Å; V408-Q411 PolarHBondContact O-N 3.02Å; I409-Q411 VanDerWaalsContact C-N 3.33Å; I409-Q411 PolarHBondContact O-N 3.49Å; Q411-A414 WeakPolarHBondContact O-CB 3.45Å; Q411-A414 PolarHBondContact O-N 2.92Å; Q411-R415 PolarHBondContact O-N 3.38Å
412	E	98.8	Very high	98.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-67.3	-40.8	179.5	179.3	61.7	165.4	0	0	111.2	V45 S46 F49 L50 V408 I409 A414 R415 I416 T591	V45-E412 VanDerWaalsContact CA-OE1 3.32Å; V45-E412 WeakPolarHBondContact CA-OE1 3.04Å; S46-E412 PolarHBondContact N-OE1 3.24Å; F49-E412 HydrophobicContact CD1-CB 3.72Å; F49-E412 HydrophobicContact CD1-CG 4.12Å; F49-E412 WeakPolarHBondContact CD1-OE2 3.24Å; F49-E412 VanDerWaalsContact CE1-CA 3.44Å; F49-E412 HydrophobicContact CE1-CB 3.64Å; F49-E412 HydrophobicContact CE1-CG 4.45Å; F49-E412 WeakPolarHBondContact CE1-OE2 3.36Å; F49-E412 WeakPolarHBondContact CG-OE2 3.46Å; L50-E412 HydrophobicContact CD2-CB 3.82Å; L50-E412 HydrophobicContact CD2-CG 4.26Å; V408-E412 WeakPolarHBondContact O-CB 3.25Å; V408-E412 PolarHBondContact O-N 3.43Å; I409-E412 PolarHBondContact O-N 3.09Å; E412-A414 VanDerWaalsContact C-N 3.34Å; E412-A414 PolarHBondContact O-N 3.3Å; E412-R415 PolarHBondContact O-N 3.45Å; E412-R415 IonicContact OE1-CZ 3.8Å; E412-R415 IonicContact OE1-NH2 2.83Å; E412-R415 PolarHBondContact OE1-NH2 3.45Å; E412-R415 IonicContact OE2-CZ 3.88Å; E412-R415 VanDerWaalsContact OE2-CZ 3.3Å; E412-R415 IonicContact OE2-NE 3.11Å; E412-R415 PolarHBondContact OE2-NE 3.44Å; E412-R415 IonicContact OE2-NH2 3.82Å; E412-R415 PolarHBondContact OE2-NH2 3.27Å; E412-I416 HydrophobicContact CG-CD1 3.94Å; E412-I416 VanDerWaalsContact O-CG1 3.27Å; E412-I416 WeakPolarHBondContact O-CG1 3.29Å; E412-I416 PolarHBondContact O-N 2.86Å; E412-T591 HydrophobicContact CB-CG2 4.31Å; E412-T591 HydrophobicContact CG-CG2 3.86Å
413	I	98.9	Very high	98.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.6	-42.9	172.3	-70.4	178.5	0	0	0	110.7	M389 I409 R415 I416 L417 L433 T591 I594 L595 I598	M389-I413 HydrophobicContact CE-CD1 3.88Å; M389-I413 HydrophobicContact SD-CD1 3.71Å; M389-I413 HydrophobicContact SD-CG2 4.23Å; I409-I413 HydrophobicContact CG2-CD1 4Å; I409-I413 WeakPolarHBondContact O-CB 3.44Å; I409-I413 WeakPolarHBondContact O-CG1 3.3Å; I409-I413 PolarHBondContact O-N 2.9Å; I413-R415 VanDerWaalsContact C-N 3.34Å; I413-R415 PolarHBondContact O-N 2.83Å; I413-I416 PolarHBondContact O-N 3.12Å; I413-L417 HydrophobicContact CG2-CD1 3.64Å; I413-L417 HydrophobicContact CG2-CG 4.23Å; I413-L417 WeakPolarHBondContact O-CB 2.82Å; I413-L417 WeakPolarHBondContact O-CG 3.34Å; I413-L417 PolarHBondContact O-N 3.47Å; I413-L433 HydrophobicContact CG2-CD1 4.45Å; I413-L433 HydrophobicContact CG2-CD2 4.48Å; I413-T591 HydrophobicContact CG1-CG2 3.96Å; I413-I594 HydrophobicContact CD1-CB 3.87Å; I413-I594 HydrophobicContact CD1-CG2 3.6Å; I413-L595 HydrophobicContact CD1-CB 4.35Å; I413-L595 HydrophobicContact CG1-CB 4.34Å; I413-L595 HydrophobicContact CG2-CD1 4.39Å; I413-I598 HydrophobicContact CD1-CD1 4.41Å; I413-I598 HydrophobicContact CG2-CD1 3.84Å
414	A	98.9	Very high	98.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.6	-44.3	176.9	0	0	0	0	0	111.9	W84 W86 L410 Q411 E412 G418 L433	W84-A414 HydrophobicContact CE3-CB 3.96Å; W84-A414 HydrophobicContact CZ3-CB 3.83Å; W86-A414 HydrophobicContact CZ2-CB 4.34Å; W86-A414 PolarHBondContact NE1-O 2.95Å; L410-A414 VanDerWaalsContact O-CB 3.3Å; L410-A414 WeakPolarHBondContact O-CB 3.28Å; L410-A414 PolarHBondContact O-N 2.86Å; Q411-A414 WeakPolarHBondContact O-CB 3.45Å; Q411-A414 PolarHBondContact O-N 2.92Å; E412-A414 VanDerWaalsContact C-N 3.34Å; E412-A414 PolarHBondContact O-N 3.3Å; A414-G418 PolarHBondContact O-N 3.05Å; A414-L433 HydrophobicContact CB-CD1 3.54Å
415	R	98.8	Very high	98.1	Very high	32 Å²	32	25 Å²	25	12%	0.121	13%	0.128	C	C	.	.	H	α-helix	trans	-62.1	-53.6	176.9	-174.8	-172.8	64.8	76.1	0.1	111.5	N44 F49 W84 Q411 E412 I413 L417 G418 E419	N44-R415 PolarHBondContact O-NH2 3.36Å; F49-R415 HydrophobicContact CE2-CB 4.42Å; F49-R415 HydrophobicContact CZ-CB 4.36Å; W84-R415 HydrophobicContact CD2-CB 3.71Å; W84-R415 HydrophobicContact CD2-CG 3.97Å; W84-R415 HydrophobicContact CE3-CB 3.88Å; W84-R415 HydrophobicContact CG-CB 4.21Å; W84-R415 HydrophobicContact CG-CG 4.06Å; W84-R415 HydrophobicContact CH2-CB 4.21Å; W84-R415 HydrophobicContact CZ2-CB 4.04Å; W84-R415 HydrophobicContact CZ2-CG 4.32Å; W84-R415 HydrophobicContact CZ3-CB 4.13Å; Q411-R415 PolarHBondContact O-N 3.38Å; E412-R415 PolarHBondContact O-N 3.45Å; E412-R415 IonicContact OE1-CZ 3.8Å; E412-R415 IonicContact OE1-NH2 2.83Å; E412-R415 PolarHBondContact OE1-NH2 3.45Å; E412-R415 IonicContact OE2-CZ 3.88Å; E412-R415 VanDerWaalsContact OE2-CZ 3.3Å; E412-R415 IonicContact OE2-NE 3.11Å; E412-R415 PolarHBondContact OE2-NE 3.44Å; E412-R415 IonicContact OE2-NH2 3.82Å; E412-R415 PolarHBondContact OE2-NH2 3.27Å; I413-R415 VanDerWaalsContact C-N 3.34Å; I413-R415 PolarHBondContact O-N 2.83Å; R415-L417 VanDerWaalsContact C-N 3.34Å; R415-L417 PolarHBondContact O-N 3.28Å; R415-G418 PolarHBondContact O-N 3.17Å; R415-E419 HydrophobicContact CG-CG 4.48Å; R415-E419 WeakPolarHBondContact CG-OE1 3.47Å; R415-E419 IonicContact NH1-OE1 3.07Å; R415-E419 PolarHBondContact NH1-OE1 3.13Å; R415-E419 IonicContact NH1-OE2 3.56Å; R415-E419 PolarHBondContact NH1-OE2 3.37Å; R415-E419 VanDerWaalsContact NH1-OE2 3.14Å; R415-E419 WeakPolarHBondContact O-CB 3.38Å; R415-E419 WeakPolarHBondContact O-CG 3.47Å; R415-E419 PolarHBondContact O-N 3.5Å
416	I	98.9	Very high	98	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-58.4	-46.5	-177.5	-68.4	168.7	0	0	0	111	L41 N44 V45 E412 I413 A420 L595	L41-I416 HydrophobicContact CB-CG2 3.96Å; L41-I416 HydrophobicContact CD2-CG2 4.07Å; N44-I416 HydrophobicContact CB-CD1 4.25Å; N44-I416 HydrophobicContact CB-CG1 4Å; N44-I416 HydrophobicContact CB-CG2 4.42Å; V45-I416 HydrophobicContact CB-CD1 4.47Å; V45-I416 HydrophobicContact CG2-CD1 3.69Å; E412-I416 HydrophobicContact CG-CD1 3.94Å; E412-I416 VanDerWaalsContact O-CG1 3.27Å; E412-I416 WeakPolarHBondContact O-CG1 3.29Å; E412-I416 PolarHBondContact O-N 2.86Å; I413-I416 PolarHBondContact O-N 3.12Å; I416-A420 VanDerWaalsContact O-CB 3.27Å; I416-A420 WeakPolarHBondContact O-CB 3.18Å; I416-A420 PolarHBondContact O-N 3.49Å; I416-L595 HydrophobicContact CD1-CD2 4.28Å; I416-L595 HydrophobicContact CG2-CD2 4.07Å
417	L	98.8	Very high	97.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-68.8	-44.2	179.9	-70	177.2	0	0	0	111.7	L41 W86 M372 I413 R415 E419 A420 Y421 F425 I431 L595 I598 I599	L41-L417 HydrophobicContact CD1-CD2 4.25Å; W86-L417 HydrophobicContact CZ2-CB 4.04Å; W86-L417 HydrophobicContact CZ2-CD1 4.41Å; M372-L417 HydrophobicContact CE-CB 3.81Å; M372-L417 WeakPolarHBondContact CE-O 3Å; I413-L417 HydrophobicContact CG2-CD1 3.64Å; I413-L417 HydrophobicContact CG2-CG 4.23Å; I413-L417 WeakPolarHBondContact O-CB 2.82Å; I413-L417 WeakPolarHBondContact O-CG 3.34Å; I413-L417 PolarHBondContact O-N 3.47Å; R415-L417 VanDerWaalsContact C-N 3.34Å; R415-L417 PolarHBondContact O-N 3.28Å; L417-E419 PolarHBondContact O-N 2.97Å; L417-A420 PolarHBondContact O-N 2.99Å; L417-Y421 WeakPolarHBondContact O-CB 2.93Å; L417-Y421 PolarHBondContact O-N 2.79Å; L417-F425 HydrophobicContact CD2-CE1 4.42Å; L417-I431 HydrophobicContact CD1-CD1 4.43Å; L417-I431 HydrophobicContact CD1-CG2 4.19Å; L417-I431 HydrophobicContact CD2-CD1 4.49Å; L417-L595 HydrophobicContact CD1-CD1 4.47Å; L417-L595 HydrophobicContact CD2-CD1 3.86Å; L417-L595 HydrophobicContact CG-CD1 4.07Å; L417-I598 HydrophobicContact CD1-CG2 4.32Å; L417-I599 HydrophobicContact CD2-CD1 4.01Å
418	G	98.7	Very high	97.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58	-49.5	178.5	0	0	0	0	0	112.2	W84 A414 R415 A420 Y421 R422	W84-G418 CarbonylContact O-C 3.57Å; W84-G418 WeakPolarHBondContact O-CA 3.46Å; A414-G418 PolarHBondContact O-N 3.05Å; R415-G418 PolarHBondContact O-N 3.17Å; G418-A420 PolarHBondContact O-N 3.14Å; G418-Y421 PolarHBondContact O-N 2.68Å; G418-R422 PolarHBondContact O-N 2.88Å
419	E	98.4	Very high	97.8	Very high	64 Å²	64	29.6 Å²	29.6	30%	0.299	15%	0.147	S	C	.	.	H	α-helix	trans	-60.7	-44.7	176.2	-71.6	173.7	-167.4	0	0	111.6	W84 R415 L417 Y421 R422 N423	W84-E419 PolarHBondContact O-N 3Å; R415-E419 HydrophobicContact CG-CG 4.48Å; R415-E419 WeakPolarHBondContact CG-OE1 3.47Å; R415-E419 IonicContact NH1-OE1 3.07Å; R415-E419 PolarHBondContact NH1-OE1 3.13Å; R415-E419 IonicContact NH1-OE2 3.56Å; R415-E419 PolarHBondContact NH1-OE2 3.37Å; R415-E419 VanDerWaalsContact NH1-OE2 3.14Å; R415-E419 WeakPolarHBondContact O-CB 3.38Å; R415-E419 WeakPolarHBondContact O-CG 3.47Å; R415-E419 PolarHBondContact O-N 3.5Å; L417-E419 PolarHBondContact O-N 2.97Å; E419-Y421 VanDerWaalsContact C-N 3.35Å; E419-Y421 PolarHBondContact O-N 3.42Å; E419-R422 PolarHBondContact O-N 3.26Å; E419-N423 WeakPolarHBondContact O-CB 3.4Å; E419-N423 VanDerWaalsContact O-CG 3.25Å; E419-N423 PolarHBondContact O-N 3.29Å; E419-N423 PolarHBondContact O-ND2 3.44Å; E419-N423 VanDerWaalsContact O-ND2 3.17Å
420	A	98.3	Very high	97.8	Very high	13 Å²	13	30 Å²	30	11%	0.107	15%	0.15	C	C	.	.	H	α-helix	trans	-60.5	-44.4	177.1	0	0	0	0	0	111.7	L41 I416 L417 G418 R422 N423 G424 F425	L41-A420 HydrophobicContact CD2-CB 3.59Å; I416-A420 VanDerWaalsContact O-CB 3.27Å; I416-A420 WeakPolarHBondContact O-CB 3.18Å; I416-A420 PolarHBondContact O-N 3.49Å; L417-A420 PolarHBondContact O-N 2.99Å; G418-A420 PolarHBondContact O-N 3.14Å; A420-R422 PolarHBondContact O-N 3.47Å; A420-N423 CarbonylContact O-C 3.49Å; A420-N423 WeakPolarHBondContact O-CA 3.37Å; A420-N423 PolarHBondContact O-N 2.77Å; A420-N423 VanDerWaalsContact O-N 3.09Å; A420-G424 PolarHBondContact O-N 2.78Å; A420-F425 HydrophobicContact CB-CB 3.98Å; A420-F425 HydrophobicContact CB-CD1 4.28Å; A420-F425 HydrophobicContact CB-CG 4.4Å; A420-F425 VanDerWaalsContact O-CB 3.23Å; A420-F425 WeakPolarHBondContact O-CB 3.45Å; A420-F425 PolarHBondContact O-N 3.29Å
421	Y	98.1	Very high	97.8	Very high	45 Å²	45	30 Å²	30	18%	0.176	15%	0.15	C	C	.	.	H	α-helix	trans	-64.5	-40.9	-179.5	-172.5	-87.5	0	0	0	112.1	P87 M372 L417 G418 E419 N423 G424 F425 K426	P87-Y421 HydrophobicContact CB-CE1 4.22Å; P87-Y421 HydrophobicContact CG-CD1 3.56Å; P87-Y421 HydrophobicContact CG-CE1 3.18Å; P87-Y421 HydrophobicContact CG-CE2 4.22Å; P87-Y421 HydrophobicContact CG-CG 4.24Å; M372-Y421 HydrophobicContact CE-CD2 4.13Å; M372-Y421 HydrophobicContact CE-CG 4.04Å; M372-Y421 HydrophobicContact CG-CD2 3.31Å; M372-Y421 HydrophobicContact CG-CE2 3.59Å; M372-Y421 HydrophobicContact CG-CG 4.02Å; M372-Y421 HydrophobicContact SD-CD2 3.5Å; M372-Y421 WeakPolarHBondContact SD-CD2 3.36Å; M372-Y421 HydrophobicContact SD-CE2 4.34Å; M372-Y421 HydrophobicContact SD-CG 4.03Å; L417-Y421 WeakPolarHBondContact O-CB 2.93Å; L417-Y421 PolarHBondContact O-N 2.79Å; G418-Y421 PolarHBondContact O-N 2.68Å; E419-Y421 VanDerWaalsContact C-N 3.35Å; E419-Y421 PolarHBondContact O-N 3.42Å; Y421-N423 PolarHBondContact O-N 2.87Å; Y421-G424 PolarHBondContact O-N 2.9Å; Y421-G424 VanDerWaalsContact O-N 3.14Å; Y421-F425 WeakPolarHBondContact CA-O 3.2Å; Y421-F425 WeakPolarHBondContact CD2-O 3.36Å; Y421-K426 VanDerWaalsContact CD1-NZ 3.31Å; Y421-K426 HydrophobicContact CD2-CD 4.2Å; Y421-K426 VanDerWaalsContact CD2-NZ 3.28Å; Y421-K426 HydrophobicContact CE2-CD 3.56Å; Y421-K426 PolarHBondContact O-NZ 3.01Å
422	R	96.2	Very high	97.8	Very high	146 Å²	146	30.3 Å²	30.3	55%	0.551	15%	0.152	S	C	*	.	H	α-helix	trans	-59.8	-37.8	171.9	-176.8	-175.8	-62.4	175.6	-4.1	111.7	E83 W84 G418 E419 A420 G424	E83-R422 PolarHBondContact O-NH2 3.26Å; W84-R422 PolarHBondContact O-NH2 2.98Å; G418-R422 PolarHBondContact O-N 2.88Å; E419-R422 PolarHBondContact O-N 3.26Å; A420-R422 PolarHBondContact O-N 3.47Å; R422-G424 PolarHBondContact O-N 3.12Å
423	N	96.3	Very high	97.8	Very high	137 Å²	137	30.3 Å²	30.3	73%	0.733	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	12.6	178	-66.7	-26.9	0	0	0	113.9	E419 A420 Y421	E419-N423 WeakPolarHBondContact O-CB 3.4Å; E419-N423 VanDerWaalsContact O-CG 3.25Å; E419-N423 PolarHBondContact O-N 3.29Å; E419-N423 PolarHBondContact O-ND2 3.44Å; E419-N423 VanDerWaalsContact O-ND2 3.17Å; A420-N423 CarbonylContact O-C 3.49Å; A420-N423 WeakPolarHBondContact O-CA 3.37Å; A420-N423 PolarHBondContact O-N 2.77Å; A420-N423 VanDerWaalsContact O-N 3.09Å; Y421-N423 PolarHBondContact O-N 2.87Å
424	G	95.9	Very high	97.8	Very high	53 Å²	53	30.3 Å²	30.3	55%	0.546	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.5	-2	170.7	0	0	0	0	0	115.5	A420 Y421 R422 K426	A420-G424 PolarHBondContact O-N 2.78Å; Y421-G424 PolarHBondContact O-N 2.9Å; Y421-G424 VanDerWaalsContact O-N 3.14Å; R422-G424 PolarHBondContact O-N 3.12Å; G424-K426 PolarHBondContact O-N 3.16Å
425	F	95.9	Very high	97.8	Very high	32 Å²	32	30.3 Å²	30.3	14%	0.14	15%	0.152	C	C	.	.			trans	-60.8	134.6	169.9	171.8	-114.9	0	0	0	110.3	I37 M372 L417 A420 Y421 P427 I431 I599	I37-F425 HydrophobicContact CD1-CE2 4.4Å; I37-F425 HydrophobicContact CG2-CD2 4.3Å; I37-F425 HydrophobicContact CG2-CE2 3.89Å; M372-F425 HydrophobicContact SD-CD1 4.34Å; M372-F425 HydrophobicContact SD-CE1 4.22Å; L417-F425 HydrophobicContact CD2-CE1 4.42Å; A420-F425 HydrophobicContact CB-CB 3.98Å; A420-F425 HydrophobicContact CB-CD1 4.28Å; A420-F425 HydrophobicContact CB-CG 4.4Å; A420-F425 VanDerWaalsContact O-CB 3.23Å; A420-F425 WeakPolarHBondContact O-CB 3.45Å; A420-F425 PolarHBondContact O-N 3.29Å; Y421-F425 WeakPolarHBondContact CA-O 3.2Å; Y421-F425 WeakPolarHBondContact CD2-O 3.36Å; F425-P427 HydrophobicContact CE1-CB 4.15Å; F425-P427 HydrophobicContact CE1-CG 4.27Å; F425-P427 HydrophobicContact CZ-CB 3.82Å; F425-P427 HydrophobicContact CZ-CG 4.43Å; F425-I431 HydrophobicContact CE1-CD1 4.47Å; F425-I599 HydrophobicContact CE1-CD1 4.29Å; F425-I599 HydrophobicContact CZ-CD1 3.82Å
426	K	95.5	Very high	97.8	Very high	69 Å²	69	28.8 Å²	28.8	30%	0.3	15%	0.146	S	C	.	.			trans	-137.4	113.2	175.6	-62.1	-69.5	158.9	-101	0	108.2	E375 Y421 G424	E375-K426 HydrophobicContact CB-CB 3.95Å; E375-K426 WeakPolarHBondContact OE2-CB 3.33Å; Y421-K426 VanDerWaalsContact CD1-NZ 3.31Å; Y421-K426 HydrophobicContact CD2-CD 4.2Å; Y421-K426 VanDerWaalsContact CD2-NZ 3.28Å; Y421-K426 HydrophobicContact CE2-CD 3.56Å; Y421-K426 PolarHBondContact O-NZ 3.01Å; G424-K426 PolarHBondContact O-N 3.16Å
427	P	96.6	Very high	97.7	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	15%	0.146	C	C	.	.			trans	-73.9	158.9	178.7	29.9	-33.1	0	0	0	111.1	M372 G374 E375 F425 R429 I431 A602	M372-P427 HydrophobicContact CG-CG 4.31Å; M372-P427 HydrophobicContact SD-CG 4.28Å; G374-P427 CarbonylContact C-O 3.58Å; G374-P427 WeakPolarHBondContact CA-O 3.46Å; E375-P427 PolarHBondContact N-O 2.94Å; F425-P427 HydrophobicContact CE1-CB 4.15Å; F425-P427 HydrophobicContact CE1-CG 4.27Å; F425-P427 HydrophobicContact CZ-CB 3.82Å; F425-P427 HydrophobicContact CZ-CG 4.43Å; P427-R429 VanDerWaalsContact C-N 3.34Å; P427-R429 VanDerWaalsContact CB-O 3.3Å; P427-R429 WeakPolarHBondContact CB-O 3.43Å; P427-R429 VanDerWaalsContact CG-O 3.3Å; P427-R429 WeakPolarHBondContact CG-O 3.34Å; P427-I431 HydrophobicContact CB-CD1 4.09Å; P427-I431 HydrophobicContact CB-CG1 4.45Å; P427-I431 HydrophobicContact CG-CD1 4.07Å; P427-I431 HydrophobicContact CG-CG1 4.31Å; P427-A602 HydrophobicContact CB-CB 4.03Å
428	R	95.8	Very high	97.6	Very high	28 Å²	28	28.8 Å²	28.8	11%	0.106	15%	0.146	C	C	.	.	S	Bend	trans	-69.8	-34.4	175	-179.2	-175.3	175.8	108.6	-0	111.5	T379 S380 E382 S383 A602	T379-R428 PolarHBondContact O-NH1 3.12Å; T379-R428 PolarHBondContact O-NH2 3.31Å; S380-R428 VanDerWaalsContact CB-CZ 3.49Å; S380-R428 WeakPolarHBondContact OG-CG 3.36Å; S380-R428 PolarHBondContact OG-NE 2.83Å; E382-R428 CarbonylContact C-O 3.45Å; E382-R428 IonicContact OE1-CZ 3.3Å; E382-R428 IonicContact OE1-NE 2.91Å; E382-R428 IonicContact OE1-NH2 3.89Å; E382-R428 PolarHBondContact OE1-NH2 3.3Å; E382-R428 IonicContact OE2-CZ 3.11Å; E382-R428 IonicContact OE2-NE 2.84Å; E382-R428 PolarHBondContact OE2-NE 3.48Å; E382-R428 IonicContact OE2-NH2 2.7Å; E382-R428 PolarHBondContact OE2-NH2 3.04Å; S383-R428 PolarHBondContact N-O 2.79Å; R428-A602 WeakPolarHBondContact CA-O 3.26Å; R428-A602 VanDerWaalsContact CB-O 3.27Å; R428-A602 WeakPolarHBondContact CB-O 3.21Å; R428-A602 PolarHBondContact N-O 3Å
429	R	97.7	Very high	97.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-118.5	154.3	-179.8	-56.8	-175.5	-176.8	83.7	8.9	109.9	E382 Q385 I387 P427 F601 A602 T604 P605 N679	E382-R429 HydrophobicContact CB-CG 4.19Å; E382-R429 IonicContact OE2-CZ 2.8Å; E382-R429 IonicContact OE2-NE 3.89Å; E382-R429 PolarHBondContact OE2-NE 3.47Å; E382-R429 IonicContact OE2-NH2 2.69Å; E382-R429 PolarHBondContact OE2-NH2 3.04Å; Q385-R429 HydrophobicContact CB-CB 4.21Å; Q385-R429 HydrophobicContact CB-CG 4Å; Q385-R429 WeakPolarHBondContact O-CB 3.31Å; Q385-R429 VanDerWaalsContact OE1-CD 3.31Å; I387-R429 HydrophobicContact CD1-CB 4.41Å; I387-R429 HydrophobicContact CG1-CB 4.24Å; P427-R429 VanDerWaalsContact C-N 3.34Å; P427-R429 VanDerWaalsContact CB-O 3.3Å; P427-R429 WeakPolarHBondContact CB-O 3.43Å; P427-R429 VanDerWaalsContact CG-O 3.3Å; P427-R429 WeakPolarHBondContact CG-O 3.34Å; R429-F601 WeakPolarHBondContact CD-O 3.32Å; R429-F601 PolarHBondContact NH1-O 2.83Å; R429-A602 PolarHBondContact N-O 3.21Å; R429-A602 VanDerWaalsContact N-O 3.09Å; R429-T604 PolarHBondContact NH1-O 3.23Å; R429-T604 PolarHBondContact NH2-O 2.87Å; R429-T604 VanDerWaalsContact NH2-O 3.12Å; R429-P605 PolarHBondContact NH2-O 2.98Å; R429-N679 PolarHBondContact NH2-ND2 3.02Å
430	T	98.8	Very high	97.4	Very high	9 Å²	9	26.2 Å²	26.2	6%	0.055	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	132.8	178.7	-70.8	0	0	0	0	110.3	I371 M372 P373 G374 S383 Q385 Y386 I387 I432	I371-T430 HydrophobicContact CG2-CG2 3.63Å; M372-T430 WeakPolarHBondContact O-CA 3Å; M372-T430 WeakPolarHBondContact O-CG2 3.19Å; P373-T430 WeakPolarHBondContact CA-OG1 3.28Å; G374-T430 PolarHBondContact N-OG1 3.21Å; S383-T430 WeakPolarHBondContact O-CB 3.27Å; S383-T430 PolarHBondContact O-OG1 3.5Å; Q385-T430 PolarHBondContact O-N 2.84Å; Y386-T430 WeakPolarHBondContact CA-O 3.49Å; Y386-T430 HydrophobicContact CD1-CG2 3.94Å; Y386-T430 HydrophobicContact CE1-CG2 4.16Å; I387-T430 PolarHBondContact N-O 2.9Å; T430-I432 HydrophobicContact CG2-CD1 4.43Å; T430-I432 HydrophobicContact CG2-CG1 3.94Å
431	I	98.9	Very high	97.3	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	131.7	173	-58.7	167.6	0	0	0	107.9	W86 M372 I387 L417 F425 P427 I598 A602	W86-I431 HydrophobicContact CH2-CG2 4.34Å; M372-I431 HydrophobicContact CB-CB 4.28Å; M372-I431 PolarHBondContact N-O 2.99Å; M372-I431 PolarHBondContact O-N 3Å; M372-I431 HydrophobicContact SD-CD1 4.3Å; I387-I431 WeakPolarHBondContact O-CA 3.32Å; L417-I431 HydrophobicContact CD1-CD1 4.43Å; L417-I431 HydrophobicContact CD1-CG2 4.19Å; L417-I431 HydrophobicContact CD2-CD1 4.49Å; F425-I431 HydrophobicContact CE1-CD1 4.47Å; P427-I431 HydrophobicContact CB-CD1 4.09Å; P427-I431 HydrophobicContact CB-CG1 4.45Å; P427-I431 HydrophobicContact CG-CD1 4.07Å; P427-I431 HydrophobicContact CG-CG1 4.31Å; I431-I598 HydrophobicContact CD1-CG2 3.78Å; I431-I598 HydrophobicContact CG1-CG2 4.06Å; I431-I598 HydrophobicContact CG2-CG2 3.88Å; I431-A602 HydrophobicContact CD1-CB 3.81Å; I431-A602 HydrophobicContact CG1-CB 3.74Å
432	I	98.9	Very high	97	Very high	6 Å²	6	23.5 Å²	23.5	3%	0.031	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.8	176.5	-54.6	-176.9	0	0	0	108.8	V369 G370 I371 Y386 I387 I388 M389 T430	V369-I432 HydrophobicContact CG1-CG2 3.54Å; G370-I432 CarbonylContact O-C 3.57Å; G370-I432 VanDerWaalsContact O-CA 3.26Å; G370-I432 WeakPolarHBondContact O-CA 3.25Å; I371-I432 HydrophobicContact CG1-CG1 4.34Å; I371-I432 HydrophobicContact CG1-CG2 4.35Å; I371-I432 HydrophobicContact CG2-CG1 4.33Å; Y386-I432 HydrophobicContact CD1-CD1 4.08Å; Y386-I432 HydrophobicContact CD2-CD1 3.48Å; Y386-I432 VanDerWaalsContact CD2-CD1 3.48Å; Y386-I432 HydrophobicContact CE1-CD1 4.49Å; Y386-I432 HydrophobicContact CE2-CD1 3.92Å; Y386-I432 HydrophobicContact CG-CD1 3.57Å; Y386-I432 HydrophobicContact CG-CG1 4.44Å; I387-I432 PolarHBondContact O-N 2.55Å; I388-I432 CarbonylContact C-O 3.59Å; I388-I432 VanDerWaalsContact CA-O 3.3Å; I388-I432 WeakPolarHBondContact CA-O 3.45Å; I388-I432 HydrophobicContact CD1-CD1 4.44Å; I388-I432 HydrophobicContact CG1-CB 4.1Å; I388-I432 HydrophobicContact CG1-CD1 4.45Å; I388-I432 HydrophobicContact CG2-CB 4.42Å; I388-I432 HydrophobicContact CG2-CG2 4.44Å; M389-I432 PolarHBondContact N-O 2.71Å; T430-I432 HydrophobicContact CG2-CD1 4.43Å; T430-I432 HydrophobicContact CG2-CG1 3.94Å
433	L	98.9	Very high	97	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	136	169.2	-62	-172.1	0	0	0	109.6	W81 W86 V369 G370 M389 L410 I413 A414	W81-L433 HydrophobicContact CH2-CB 3.85Å; W81-L433 HydrophobicContact CZ2-CB 4.26Å; W81-L433 HydrophobicContact CZ3-CB 4.29Å; W86-L433 HydrophobicContact CH2-CB 4.25Å; W86-L433 HydrophobicContact CH2-CD1 3.5Å; W86-L433 VanDerWaalsContact CH2-CD1 3.5Å; W86-L433 HydrophobicContact CH2-CD2 4.47Å; W86-L433 HydrophobicContact CH2-CG 3.42Å; W86-L433 VanDerWaalsContact CH2-CG 3.42Å; W86-L433 HydrophobicContact CZ2-CD1 3.23Å; W86-L433 HydrophobicContact CZ2-CG 3.76Å; W86-L433 HydrophobicContact CZ3-CD1 4.49Å; W86-L433 HydrophobicContact CZ3-CG 4.18Å; V369-L433 CarbonylContact C-O 3.54Å; V369-L433 WeakPolarHBondContact CA-O 3.26Å; G370-L433 PolarHBondContact N-O 2.98Å; G370-L433 PolarHBondContact O-N 3.42Å; M389-L433 HydrophobicContact CB-CD2 3.74Å; M389-L433 HydrophobicContact CG-CD2 4.36Å; M389-L433 CarbonylContact O-C 3.54Å; M389-L433 WeakPolarHBondContact O-CA 3.05Å; M389-L433 HydrophobicContact SD-CD2 4.15Å; L410-L433 HydrophobicContact CD1-CB 4.1Å; L410-L433 HydrophobicContact CD1-CD1 4.22Å; L410-L433 HydrophobicContact CD1-CD2 4.04Å; L410-L433 HydrophobicContact CD1-CG 4.33Å; I413-L433 HydrophobicContact CG2-CD1 4.45Å; I413-L433 HydrophobicContact CG2-CD2 4.48Å; A414-L433 HydrophobicContact CB-CD1 3.54Å
434	G	98.8	Very high	96.9	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	121.4	178.2	0	0	0	0	0	112.1	M389 G390 N391 L410	M389-G434 PolarHBondContact O-N 3.45Å; G390-G434 WeakPolarHBondContact CA-O 3.34Å; N391-G434 PolarHBondContact N-O 2.85Å; L410-G434 WeakPolarHBondContact CD2-O 3.47Å
435	S	98.8	Very high	97	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	109.3	162.8	179.9	0	0	0	0	108	I77 N367 I368 N391 H393	I77-S435 WeakPolarHBondContact CD1-OG 3.4Å; N367-S435 VanDerWaalsContact CA-O 3.27Å; N367-S435 WeakPolarHBondContact CA-O 3.48Å; I368-S435 PolarHBondContact N-O 2.77Å; I368-S435 PolarHBondContact O-N 2.84Å; N391-S435 CarbonylContact O-C 3.41Å; N391-S435 VanDerWaalsContact O-CA 3.32Å; N391-S435 WeakPolarHBondContact O-CA 3.21Å; H393-S435 PolarHBondContact ND1-OG 2.77Å
436	W	98.6	Very high	97.1	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	141.7	-173.5	-45.5	128.7	0	0	0	111.6	N367 V369 I388 N391 H392 H393 F449 Y464 D532 F536	N367-W436 HydrophobicContact CB-CE3 4.27Å; V369-W436 HydrophobicContact CG2-CZ3 4.03Å; I388-W436 HydrophobicContact CG2-CZ2 4.49Å; N391-W436 PolarHBondContact O-N 2.74Å; H392-W436 CarbonylContact C-O 3.38Å; H392-W436 WeakPolarHBondContact CA-O 3.43Å; H392-W436 HydrophobicContact CB-CB 4.25Å; H392-W436 WeakPolarHBondContact CB-O 3.33Å; H393-W436 PolarHBondContact CE1-O 2.93Å; H393-W436 PolarHBondContact N-O 3.23Å; H393-W436 PolarHBondContact ND1-O 2.93Å; W436-F449 HydrophobicContact CE3-CB 4.46Å; W436-F449 HydrophobicContact CH2-CB 4.32Å; W436-F449 AromaticContact CH2-CD1 3.74Å; W436-F449 HydrophobicContact CH2-CD1 3.74Å; W436-F449 AromaticContact CH2-CD2 3.95Å; W436-F449 HydrophobicContact CH2-CD2 3.95Å; W436-F449 AromaticContact CH2-CE1 3.98Å; W436-F449 HydrophobicContact CH2-CE1 3.98Å; W436-F449 HydrophobicContact CH2-CE2 4.18Å; W436-F449 AromaticContact CH2-CG 3.73Å; W436-F449 HydrophobicContact CH2-CG 3.73Å; W436-F449 HydrophobicContact CH2-CZ 4.19Å; W436-F449 HydrophobicContact CZ3-CB 3.9Å; W436-F449 HydrophobicContact CZ3-CD1 4.17Å; W436-F449 AromaticContact CZ3-CD2 3.75Å; W436-F449 HydrophobicContact CZ3-CD2 3.75Å; W436-F449 HydrophobicContact CZ3-CE2 4.33Å; W436-F449 AromaticContact CZ3-CG 3.66Å; W436-F449 HydrophobicContact CZ3-CG 3.66Å; W436-Y464 HydrophobicContact CZ2-CE2 4.13Å; W436-Y464 AromaticContact NE1-CZ 3.95Å; W436-Y464 PolarHBondContact NE1-OH 3.34Å; W436-D532 VanDerWaalsContact CD1-CG 3.42Å; W436-D532 VanDerWaalsContact CD1-OD2 3.27Å; W436-F536 HydrophobicContact CH2-CZ 4.49Å; W436-F536 HydrophobicContact CZ2-CE2 4.45Å; W436-F536 HydrophobicContact CZ2-CZ 4.03Å
437	D	98.1	Very high	97.1	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.017	C	C	.	.	S	Bend	trans	-103.1	150.2	172.3	-164.4	-13.3	0	0	0	110.4	S65 N70 L365 C366 N367 G445	S65-D437 WeakPolarHBondContact CB-OD1 3.14Å; S65-D437 PolarHBondContact OG-OD1 3.08Å; N70-D437 PolarHBondContact ND2-OD1 2.85Å; N70-D437 PolarHBondContact ND2-OD2 3.06Å; L365-D437 VanDerWaalsContact CA-OD2 3.23Å; L365-D437 WeakPolarHBondContact CA-OD2 3.35Å; L365-D437 HydrophobicContact CB-CB 4.11Å; L365-D437 HydrophobicContact CG-CB 4.16Å; C366-D437 PolarHBondContact N-OD2 3.16Å; N367-D437 PolarHBondContact OD1-N 2.84Å; D437-G445 WeakPolarHBondContact O-CA 3.31Å; D437-G445 PolarHBondContact O-N 2.87Å
438	G	96.8	Very high	97.1	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.017	C	C	.	.			trans	72.9	28.7	170.6	0	0	0	0	0	114.6	D394 E440 F441 V443 L444	D394-G438 PolarHBondContact OD1-N 3.15Å; D394-G438 WeakPolarHBondContact OD2-CA 3.31Å; D394-G438 PolarHBondContact OD2-N 2.95Å; G438-E440 VanDerWaalsContact C-N 3.3Å; G438-F441 PolarHBondContact O-N 3.25Å; G438-V443 PolarHBondContact O-N 3.33Å; G438-L444 WeakPolarHBondContact O-CB 3.41Å; G438-L444 WeakPolarHBondContact O-CG 3.11Å; G438-L444 PolarHBondContact O-N 3.29Å
439	E	97.3	Very high	97.1	Very high	10 Å²	10	2.5 Å²	2.5	5%	0.047	1%	0.013	C	C	.	.	S	Bend	trans	-61.7	-46.2	170.7	-164.1	-68.9	151.6	0	0	109.8	H392 D394 F441 S442 V443 S531	H392-E439 HydrophobicContact CB-CB 3.4Å; H392-E439 HydrophobicContact CB-CG 4.12Å; D394-E439 PolarHBondContact OD1-N 3.3Å; D394-E439 PolarHBondContact OD2-N 2.94Å; E439-F441 PolarHBondContact O-N 3.24Å; E439-S442 CarbonylContact O-C 3.6Å; E439-S442 PolarHBondContact O-N 3.38Å; E439-V443 PolarHBondContact O-N 2.87Å; E439-S531 WeakPolarHBondContact OE1-CA 3.34Å
440	E	96	Very high	97	Very high	1 Å²	1	2.5 Å²	2.5	1%	0.005	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-25.2	-175.4	-64.7	-73.4	-148.8	0	0	111.7	H271 D394 W396 G438 S442 H562	H271-E440 WeakPolarHBondContact CB-O 3.22Å; H271-E440 PolarHBondContact CD2-O 3.49Å; D394-E440 WeakPolarHBondContact OD2-CB 3.42Å; D394-E440 PolarHBondContact OD2-N 2.8Å; D394-E440 VanDerWaalsContact OD2-N 3.13Å; W396-E440 HydrophobicContact CZ2-CB 3.9Å; W396-E440 WeakPolarHBondContact CZ2-O 3.46Å; W396-E440 PolarHBondContact NE1-OE2 3.38Å; G438-E440 VanDerWaalsContact C-N 3.3Å; E440-S442 VanDerWaalsContact C-N 3.31Å; E440-S442 PolarHBondContact O-N 2.86Å; E440-H562 IonicContact OE1-CD2 3.15Å; E440-H562 IonicContact OE1-NE2 3.8Å; E440-H562 PolarHBondContact OE1-NE2 3.48Å; E440-H562 IonicContact OE2-CE1 3.47Å; E440-H562 PolarHBondContact OE2-CE1 3.18Å; E440-H562 IonicContact OE2-NE2 3.88Å; E440-H562 PolarHBondContact OE2-NE2 3.44Å
441	F	94.7	Very high	96.8	Very high	1 Å²	1	3.3 Å²	3.3	0%	0.004	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	27	177	-71.7	-91.8	0	0	0	113.7	C64 L98 P99 A157 Y158 W396 G438 E439 L444	C64-F441 HydrophobicContact CB-CE2 4.18Å; L98-F441 HydrophobicContact CD2-CB 4.22Å; L98-F441 HydrophobicContact CD2-CD1 4.36Å; L98-F441 HydrophobicContact CD2-CG 4.28Å; P99-F441 HydrophobicContact CG-CD1 4.24Å; A157-F441 HydrophobicContact CB-CD1 4.03Å; A157-F441 HydrophobicContact CB-CE1 3.9Å; Y158-F441 WeakPolarHBondContact CE2-O 3.11Å; Y158-F441 PolarHBondContact OH-O 3.36Å; W396-F441 HydrophobicContact CH2-CD1 4.45Å; W396-F441 HydrophobicContact CH2-CD2 4.43Å; W396-F441 AromaticContact CH2-CE1 3.88Å; W396-F441 HydrophobicContact CH2-CE1 3.88Å; W396-F441 AromaticContact CH2-CE2 3.84Å; W396-F441 HydrophobicContact CH2-CE2 3.84Å; W396-F441 AromaticContact CH2-CZ 3.54Å; W396-F441 HydrophobicContact CH2-CZ 3.54Å; W396-F441 HydrophobicContact CZ2-CE2 4.49Å; W396-F441 HydrophobicContact CZ3-CE1 4.42Å; W396-F441 HydrophobicContact CZ3-CE2 4.11Å; W396-F441 AromaticContact CZ3-CZ 3.74Å; W396-F441 HydrophobicContact CZ3-CZ 3.74Å; G438-F441 PolarHBondContact O-N 3.25Å; E439-F441 PolarHBondContact O-N 3.24Å; F441-L444 HydrophobicContact CB-CD1 3.8Å; F441-L444 WeakPolarHBondContact O-CG 3.49Å
442	S	93.5	Very high	96.6	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.9	49.1	175.6	-167.2	0	0	0	0	114.6	N273 G279 G280 E439 E440 L444	N273-S442 PolarHBondContact ND2-OG 2.94Å; G279-S442 WeakPolarHBondContact CA-OG 3.47Å; G280-S442 PolarHBondContact N-O 3.48Å; E439-S442 CarbonylContact O-C 3.6Å; E439-S442 PolarHBondContact O-N 3.38Å; E440-S442 VanDerWaalsContact C-N 3.31Å; E440-S442 PolarHBondContact O-N 2.86Å; S442-L444 VanDerWaalsContact C-N 3.31Å; S442-L444 PolarHBondContact O-N 3.5Å
443	V	94.9	Very high	96.4	Very high	5 Å²	5	7.9 Å²	7.9	3%	0.03	4%	0.038	C	C	.	.	S	Bend	trans	58	41.8	169.6	-162.5	0	0	0	0	111.7	G438 E439 S446 T447 P535	G438-V443 PolarHBondContact O-N 3.33Å; E439-V443 PolarHBondContact O-N 2.87Å; V443-S446 VanDerWaalsContact CG1-OG 3.23Å; V443-S446 WeakPolarHBondContact CG1-OG 2.97Å; V443-T447 WeakPolarHBondContact O-CB 3.29Å; V443-T447 PolarHBondContact O-N 3.05Å; V443-T447 PolarHBondContact O-OG1 3.14Å; V443-P535 HydrophobicContact CG1-CG 4.5Å
444	L	95.6	Very high	96	Very high	3 Å²	3	9.5 Å²	9.5	2%	0.016	5%	0.046	C	C	.	.	H	α-helix	trans	-73.6	-53.5	-167.8	-62.9	177	0	0	0	112.5	V96 L98 D281 L365 G438 F441 S442 T447 H448	V96-L444 HydrophobicContact CG2-CD1 4.23Å; L98-L444 HydrophobicContact CD2-CD1 3.96Å; D281-L444 HydrophobicContact CB-CD2 4.02Å; L365-L444 HydrophobicContact CD2-CB 3.82Å; L365-L444 HydrophobicContact CD2-CD1 3.91Å; G438-L444 WeakPolarHBondContact O-CB 3.41Å; G438-L444 WeakPolarHBondContact O-CG 3.11Å; G438-L444 PolarHBondContact O-N 3.29Å; F441-L444 HydrophobicContact CB-CD1 3.8Å; F441-L444 WeakPolarHBondContact O-CG 3.49Å; S442-L444 VanDerWaalsContact C-N 3.31Å; S442-L444 PolarHBondContact O-N 3.5Å; L444-T447 WeakPolarHBondContact O-CB 3.34Å; L444-T447 PolarHBondContact O-N 3.36Å; L444-H448 PolarHBondContact O-CD2 2.99Å; L444-H448 PolarHBondContact O-N 3.07Å
445	G	97.1	Very high	95.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.3	-48.5	-171.4	0	0	0	0	0	113.4	N367 D437 T447 H448 F449	N367-G445 PolarHBondContact ND2-O 3.34Å; N367-G445 WeakPolarHBondContact OD1-CA 3.3Å; D437-G445 WeakPolarHBondContact O-CA 3.31Å; D437-G445 PolarHBondContact O-N 2.87Å; G445-T447 VanDerWaalsContact C-N 3.34Å; G445-H448 PolarHBondContact O-N 2.97Å; G445-F449 WeakPolarHBondContact O-CB 2.78Å; G445-F449 PolarHBondContact O-N 2.85Å
446	S	97.5	Very high	95.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-65.4	-37.3	175.9	58.6	0	0	0	0	112	V443 F449 V450 D532	V443-S446 VanDerWaalsContact CG1-OG 3.23Å; V443-S446 WeakPolarHBondContact CG1-OG 2.97Å; S446-F449 PolarHBondContact O-N 3.03Å; S446-V450 WeakPolarHBondContact O-CB 3.24Å; S446-V450 WeakPolarHBondContact O-CG2 3.1Å; S446-V450 PolarHBondContact O-N 3.25Å; S446-D532 WeakPolarHBondContact CB-OD1 3.47Å; S446-D532 PolarHBondContact OG-OD1 2.7Å
447	T	95.7	Very high	95.5	Very high	8 Å²	8	22.7 Å²	22.7	5%	0.049	10%	0.1	C	C	.	.	H	α-helix	trans	-62	-44.9	174.5	-67	0	0	0	0	111.3	V443 L444 G445 V450 H451	V443-T447 WeakPolarHBondContact O-CB 3.29Å; V443-T447 PolarHBondContact O-N 3.05Å; V443-T447 PolarHBondContact O-OG1 3.14Å; L444-T447 WeakPolarHBondContact O-CB 3.34Å; L444-T447 PolarHBondContact O-N 3.36Å; G445-T447 VanDerWaalsContact C-N 3.34Å; T447-V450 PolarHBondContact O-N 3.36Å; T447-H451 WeakPolarHBondContact CG2-CE1 3.5Å; T447-H451 VanDerWaalsContact O-CG 3.3Å; T447-H451 PolarHBondContact O-N 2.56Å
448	H	96.1	Very high	95.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-69.5	-36.4	178.3	-70.7	-49.3	0	0	0	113	F94 V96 D281 S289 L444 G445 V450 H451 K452	F94-H448 HydrophobicContact CD1-CB 3.56Å; F94-H448 HydrophobicContact CD2-CB 3.84Å; F94-H448 HydrophobicContact CE1-CB 3.56Å; F94-H448 HydrophobicContact CE2-CB 3.85Å; F94-H448 HydrophobicContact CG-CB 3.7Å; F94-H448 HydrophobicContact CZ-CB 3.7Å; V96-H448 WeakPolarHBondContact CG1-NE2 3.46Å; D281-H448 WeakPolarHBondContact CB-CE1 3.22Å; D281-H448 IonicContact OD2-CE1 3.85Å; D281-H448 PolarHBondContact OD2-CE1 2.86Å; D281-H448 IonicContact OD2-NE2 3.56Å; S289-H448 PolarHBondContact N-CE1 2.94Å; S289-H448 PolarHBondContact N-ND1 3.04Å; L444-H448 PolarHBondContact O-CD2 2.99Å; L444-H448 PolarHBondContact O-N 3.07Å; G445-H448 PolarHBondContact O-N 2.97Å; H448-V450 VanDerWaalsContact C-N 3.33Å; H448-V450 PolarHBondContact O-N 2.83Å; H448-H451 PolarHBondContact O-N 3.2Å; H448-K452 VanDerWaalsContact O-CB 3.29Å; H448-K452 WeakPolarHBondContact O-CB 3.11Å; H448-K452 PolarHBondContact O-N 3.02Å
449	F	97.5	Very high	94.9	Very high	9 Å²	9	28.8 Å²	28.8	4%	0.039	14%	0.138	C	C	.	.	H	α-helix	trans	-56.9	-48.5	170.1	175.6	-95.7	0	0	0	110.8	V369 I388 W436 G445 S446 K452 S453 L457 F536	V369-F449 HydrophobicContact CG1-CE2 4.23Å; V369-F449 HydrophobicContact CG2-CD2 4.15Å; V369-F449 HydrophobicContact CG2-CE2 4.07Å; I388-F449 HydrophobicContact CD1-CE1 4.23Å; I388-F449 HydrophobicContact CD1-CZ 4.48Å; W436-F449 HydrophobicContact CE3-CB 4.46Å; W436-F449 HydrophobicContact CH2-CB 4.32Å; W436-F449 AromaticContact CH2-CD1 3.74Å; W436-F449 HydrophobicContact CH2-CD1 3.74Å; W436-F449 AromaticContact CH2-CD2 3.95Å; W436-F449 HydrophobicContact CH2-CD2 3.95Å; W436-F449 AromaticContact CH2-CE1 3.98Å; W436-F449 HydrophobicContact CH2-CE1 3.98Å; W436-F449 HydrophobicContact CH2-CE2 4.18Å; W436-F449 AromaticContact CH2-CG 3.73Å; W436-F449 HydrophobicContact CH2-CG 3.73Å; W436-F449 HydrophobicContact CH2-CZ 4.19Å; W436-F449 HydrophobicContact CZ3-CB 3.9Å; W436-F449 HydrophobicContact CZ3-CD1 4.17Å; W436-F449 AromaticContact CZ3-CD2 3.75Å; W436-F449 HydrophobicContact CZ3-CD2 3.75Å; W436-F449 HydrophobicContact CZ3-CE2 4.33Å; W436-F449 AromaticContact CZ3-CG 3.66Å; W436-F449 HydrophobicContact CZ3-CG 3.66Å; G445-F449 WeakPolarHBondContact O-CB 2.78Å; G445-F449 PolarHBondContact O-N 2.85Å; S446-F449 PolarHBondContact O-N 3.03Å; F449-K452 PolarHBondContact O-N 2.9Å; F449-S453 PolarHBondContact O-N 3.23Å; F449-L457 HydrophobicContact CD1-CD1 4.1Å; F449-L457 HydrophobicContact CE1-CD1 3.8Å; F449-L457 HydrophobicContact CE1-CD2 3.97Å; F449-L457 HydrophobicContact CE1-CG 4.47Å; F449-L457 HydrophobicContact CZ-CD2 4.33Å; F449-F536 HydrophobicContact CD1-CE1 4.07Å; F449-F536 AromaticContact CD1-CZ 3.7Å; F449-F536 HydrophobicContact CD1-CZ 3.7Å; F449-F536 AromaticContact CE1-CE1 3.93Å; F449-F536 HydrophobicContact CE1-CE1 3.93Å; F449-F536 AromaticContact CE1-CZ 3.93Å; F449-F536 HydrophobicContact CE1-CZ 3.93Å
450	V	95.8	Very high	94.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.8	-45	177.6	163.1	0	0	0	0	112.1	S446 T447 H448 K452 S453 E454 L457 P535 F536 L540	S446-V450 WeakPolarHBondContact O-CB 3.24Å; S446-V450 WeakPolarHBondContact O-CG2 3.1Å; S446-V450 PolarHBondContact O-N 3.25Å; T447-V450 PolarHBondContact O-N 3.36Å; H448-V450 VanDerWaalsContact C-N 3.33Å; H448-V450 PolarHBondContact O-N 2.83Å; V450-K452 PolarHBondContact O-N 3.5Å; V450-S453 CarbonylContact O-C 3.55Å; V450-S453 PolarHBondContact O-N 3.35Å; V450-E454 VanDerWaalsContact O-CA 3.24Å; V450-E454 WeakPolarHBondContact O-CA 3.12Å; V450-E454 WeakPolarHBondContact O-CB 3.33Å; V450-E454 PolarHBondContact O-N 3.44Å; V450-L457 HydrophobicContact CB-CD1 4.4Å; V450-L457 HydrophobicContact CG2-CD1 3.98Å; V450-P535 HydrophobicContact CB-CB 3.95Å; V450-P535 HydrophobicContact CG1-CB 4.09Å; V450-P535 HydrophobicContact CG2-CB 3.87Å; V450-P535 HydrophobicContact CG2-CG 4.28Å; V450-F536 HydrophobicContact CG2-CD1 3.93Å; V450-F536 HydrophobicContact CG2-CD2 4.06Å; V450-F536 HydrophobicContact CG2-CE1 3.77Å; V450-F536 HydrophobicContact CG2-CE2 3.91Å; V450-F536 HydrophobicContact CG2-CG 4.08Å; V450-F536 HydrophobicContact CG2-CZ 3.76Å; V450-L540 HydrophobicContact CG1-CD1 3.73Å; V450-L540 HydrophobicContact CG1-CD2 4.27Å; V450-L540 HydrophobicContact CG1-CG 3.85Å
451	H	93.1	Very high	95	Very high	26 Å²	26	32.8 Å²	32.8	12%	0.12	15%	0.153	C	C	.	.	H	α-helix	trans	-65.8	-36.1	178.5	-68.9	167	0	0	0	112.7	F287 P288 T447 H448 S453	F287-H451 PolarHBondContact O-ND1 3.46Å; P288-H451 HydrophobicContact CB-CB 4.13Å; P288-H451 HydrophobicContact CG-CB 4.47Å; T447-H451 WeakPolarHBondContact CG2-CE1 3.5Å; T447-H451 VanDerWaalsContact O-CG 3.3Å; T447-H451 PolarHBondContact O-N 2.56Å; H448-H451 PolarHBondContact O-N 3.2Å; H451-S453 VanDerWaalsContact C-N 3.32Å; H451-S453 PolarHBondContact O-N 2.88Å
452	K	94.4	Very high	95.2	Very high	85 Å²	85	32.8 Å²	32.8	37%	0.37	15%	0.153	S	C	.	.	H	α-helix	trans	-66	-35.4	178.1	179.4	-176.7	173	-169	0	112.3	Q92 F94 P288 L290 H448 F449 V450	Q92-K452 VanDerWaalsContact CD-NZ 3.35Å; Q92-K452 VanDerWaalsContact NE2-NZ 3.11Å; F94-K452 HydrophobicContact CE1-CD 4.41Å; F94-K452 HydrophobicContact CZ-CD 4.45Å; P288-K452 HydrophobicContact CB-CB 3.95Å; P288-K452 HydrophobicContact CG-CB 4.14Å; L290-K452 HydrophobicContact CD1-CD 4.46Å; L290-K452 HydrophobicContact CD1-CG 4.27Å; H448-K452 VanDerWaalsContact O-CB 3.29Å; H448-K452 WeakPolarHBondContact O-CB 3.11Å; H448-K452 PolarHBondContact O-N 3.02Å; F449-K452 PolarHBondContact O-N 2.9Å; V450-K452 PolarHBondContact O-N 3.5Å
453	S	94.6	Very high	95.4	Very high	17 Å²	17	32.8 Å²	32.8	12%	0.119	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	27.4	-172.9	-69.8	0	0	0	0	113	F449 V450 H451 Y455 E456 L457	F449-S453 PolarHBondContact O-N 3.23Å; V450-S453 CarbonylContact O-C 3.55Å; V450-S453 PolarHBondContact O-N 3.35Å; H451-S453 VanDerWaalsContact C-N 3.32Å; H451-S453 PolarHBondContact O-N 2.88Å; S453-Y455 PolarHBondContact O-N 3.49Å; S453-E456 WeakPolarHBondContact O-CB 3.32Å; S453-E456 PolarHBondContact O-N 2.72Å; S453-E456 PolarHBondContact OG-OE2 3.4Å; S453-L457 WeakPolarHBondContact O-CB 3.23Å; S453-L457 WeakPolarHBondContact O-CG 3.5Å; S453-L457 PolarHBondContact O-N 2.79Å
454	E	92.1	Very high	95.6	Very high	35 Å²	35	32.6 Å²	32.6	16%	0.164	15%	0.152	C	C	.	.	H	α-helix	trans	-53.2	-52.6	-170.7	178.5	154.4	-177	0	0	112.3	V450 E456 L457 L458 R539 L540 K701	V450-E454 VanDerWaalsContact O-CA 3.24Å; V450-E454 WeakPolarHBondContact O-CA 3.12Å; V450-E454 WeakPolarHBondContact O-CB 3.33Å; V450-E454 PolarHBondContact O-N 3.44Å; E454-E456 PolarHBondContact O-N 2.54Å; E454-L457 PolarHBondContact O-N 3.4Å; E454-L458 HydrophobicContact CG-CD1 4Å; E454-L458 VanDerWaalsContact O-CB 3.31Å; E454-L458 WeakPolarHBondContact O-CB 3.26Å; E454-L458 VanDerWaalsContact O-CG 3.23Å; E454-L458 WeakPolarHBondContact O-CG 3.2Å; E454-L458 PolarHBondContact O-N 2.65Å; E454-R539 IonicContact OE1-NE 3.83Å; E454-R539 IonicContact OE1-NH2 2.62Å; E454-R539 IonicContact OE2-CZ 3.01Å; E454-R539 IonicContact OE2-NE 3.41Å; E454-R539 PolarHBondContact OE2-NE 3.03Å; E454-R539 IonicContact OE2-NH2 2.66Å; E454-R539 PolarHBondContact OE2-NH2 3.48Å; E454-L540 HydrophobicContact CG-CD2 3.66Å; E454-K701 IonicContact OE1-NZ 3.58Å; E454-K701 PolarHBondContact OE1-NZ 2.99Å; E454-K701 VanDerWaalsContact OE1-NZ 3.15Å
455	Y	91.6	Very high	95.7	Very high	205 Å²	205	32.5 Å²	32.5	80%	0.804	15%	0.151	S	C	*	.	H	α-helix	trans	-67	-35.5	178.5	-64.4	-64.7	0	0	0	113.8	S453 S459	S453-Y455 PolarHBondContact O-N 3.49Å; Y455-S459 PolarHBondContact O-N 2.96Å; Y455-S459 VanDerWaalsContact O-N 3.1Å; Y455-S459 PolarHBondContact O-OG 2.92Å
456	E	95.6	Very high	95.8	Very high	71 Å²	71	32.5 Å²	32.5	33%	0.332	15%	0.151	S	C	.	.	H	α-helix	trans	-66.6	-48.6	177.6	-176.2	-177.8	-177.7	0	0	110.1	Y386 S453 E454 L458 S459 R460	Y386-E456 HydrophobicContact CE2-CG 3.95Å; Y386-E456 VanDerWaalsContact CE2-OE1 3.25Å; Y386-E456 WeakPolarHBondContact CE2-OE1 3.31Å; Y386-E456 VanDerWaalsContact CZ-OE1 3.32Å; Y386-E456 PolarHBondContact OH-OE1 3.21Å; S453-E456 WeakPolarHBondContact O-CB 3.32Å; S453-E456 PolarHBondContact O-N 2.72Å; S453-E456 PolarHBondContact OG-OE2 3.4Å; E454-E456 PolarHBondContact O-N 2.54Å; E456-L458 PolarHBondContact O-N 2.96Å; E456-S459 PolarHBondContact O-N 3.44Å; E456-S459 VanDerWaalsContact O-N 3.12Å; E456-S459 PolarHBondContact O-OG 2.83Å; E456-R460 VanDerWaalsContact O-CB 3.24Å; E456-R460 WeakPolarHBondContact O-CB 3.42Å; E456-R460 PolarHBondContact O-N 3.29Å; E456-R460 IonicContact OE1-NH1 2.84Å
457	L	96.7	Very high	95.8	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-65.9	-40.5	178.6	-64.9	174.6	0	0	0	111.6	Y386 I388 F449 V450 S453 E454 S459 R460 C461 F536 L540 I542	Y386-L457 HydrophobicContact CD2-CD2 4.38Å; I388-L457 HydrophobicContact CD1-CD2 3.63Å; F449-L457 HydrophobicContact CD1-CD1 4.1Å; F449-L457 HydrophobicContact CE1-CD1 3.8Å; F449-L457 HydrophobicContact CE1-CD2 3.97Å; F449-L457 HydrophobicContact CE1-CG 4.47Å; F449-L457 HydrophobicContact CZ-CD2 4.33Å; V450-L457 HydrophobicContact CB-CD1 4.4Å; V450-L457 HydrophobicContact CG2-CD1 3.98Å; S453-L457 WeakPolarHBondContact O-CB 3.23Å; S453-L457 WeakPolarHBondContact O-CG 3.5Å; S453-L457 PolarHBondContact O-N 2.79Å; E454-L457 PolarHBondContact O-N 3.4Å; L457-S459 PolarHBondContact O-N 3.46Å; L457-R460 PolarHBondContact O-N 3.46Å; L457-C461 HydrophobicContact CB-CB 4.24Å; L457-C461 HydrophobicContact CD2-CB 4.09Å; L457-C461 WeakPolarHBondContact O-CB 3.41Å; L457-C461 PolarHBondContact O-N 3Å; L457-F536 HydrophobicContact CD1-CE1 4.31Å; L457-L540 HydrophobicContact CB-CD1 3.71Å; L457-L540 HydrophobicContact CD1-CD1 4.16Å; L457-I542 HydrophobicContact CB-CD1 4.17Å
458	L	92.2	Very high	95.7	Very high	51 Å²	51	32.3 Å²	32.3	27%	0.267	15%	0.15	S	C	.	.	H	α-helix	trans	-59.9	-29.6	172.8	-78.1	170.8	0	0	0	112.6	E454 E456 L540 K687	E454-L458 HydrophobicContact CG-CD1 4Å; E454-L458 VanDerWaalsContact O-CB 3.31Å; E454-L458 WeakPolarHBondContact O-CB 3.26Å; E454-L458 VanDerWaalsContact O-CG 3.23Å; E454-L458 WeakPolarHBondContact O-CG 3.2Å; E454-L458 PolarHBondContact O-N 2.65Å; E456-L458 PolarHBondContact O-N 2.96Å; L458-L540 HydrophobicContact CD1-CD2 4.36Å; L458-L540 HydrophobicContact CD2-CB 3.98Å; L458-L540 HydrophobicContact CD2-CD2 4.14Å; L458-L540 HydrophobicContact CD2-CG 4.49Å; L458-L540 WeakPolarHBondContact CD2-O 2.99Å; L458-L540 HydrophobicContact CG-CD1 4.43Å; L458-L540 HydrophobicContact CG-CD2 4.08Å; L458-K687 WeakPolarHBondContact O-CD 3.33Å; L458-K687 WeakPolarHBondContact O-CE 3.48Å; L458-K687 PolarHBondContact O-NZ 3.34Å
459	S	91.7	Very high	95.7	Very high	76 Å²	76	32.4 Å²	32.4	53%	0.531	15%	0.151	S	C	.	.	H	α-helix	trans	-90.5	-37.4	177.3	51	0	0	0	0	112.9	Y455 E456 L457	Y455-S459 PolarHBondContact O-N 2.96Å; Y455-S459 VanDerWaalsContact O-N 3.1Å; Y455-S459 PolarHBondContact O-OG 2.92Å; E456-S459 PolarHBondContact O-N 3.44Å; E456-S459 VanDerWaalsContact O-N 3.12Å; E456-S459 PolarHBondContact O-OG 2.83Å; L457-S459 PolarHBondContact O-N 3.46Å
460	R	96.3	Very high	95.6	Very high	95 Å²	95	32 Å²	32	36%	0.358	15%	0.149	S	C	.	.	H	α-helix	trans	-109.6	-31.6	-164.4	-65.8	-175.2	-174.4	-175.8	0	115	D384 Q385 Y386 E456 L457 V462	D384-R460 WeakPolarHBondContact O-CB 3.14Å; D384-R460 WeakPolarHBondContact O-CD 3.37Å; D384-R460 WeakPolarHBondContact O-CG 3.49Å; Q385-R460 CarbonylContact C-O 3.45Å; Q385-R460 WeakPolarHBondContact CA-O 3.45Å; Y386-R460 HydrophobicContact CD1-CB 4.24Å; Y386-R460 HydrophobicContact CD2-CB 3.83Å; Y386-R460 HydrophobicContact CE1-CB 4.25Å; Y386-R460 HydrophobicContact CE2-CB 3.86Å; Y386-R460 HydrophobicContact CG-CB 4.03Å; Y386-R460 VanDerWaalsContact CZ-CD 3.45Å; Y386-R460 PolarHBondContact N-O 3Å; Y386-R460 WeakPolarHBondContact OH-CD 3.32Å; Y386-R460 PolarHBondContact OH-NH1 3.37Å; E456-R460 VanDerWaalsContact O-CB 3.24Å; E456-R460 WeakPolarHBondContact O-CB 3.42Å; E456-R460 PolarHBondContact O-N 3.29Å; E456-R460 IonicContact OE1-NH1 2.84Å; L457-R460 PolarHBondContact O-N 3.46Å; R460-V462 PolarHBondContact O-N 3.21Å
461	C	98.3	Very high	95.7	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	130.4	-176.7	-167.3	0	0	0	0	111.2	I388 L457 I542 K687	I388-C461 HydrophobicContact CD1-CB 4.4Å; L457-C461 HydrophobicContact CB-CB 4.24Å; L457-C461 HydrophobicContact CD2-CB 4.09Å; L457-C461 WeakPolarHBondContact O-CB 3.41Å; L457-C461 PolarHBondContact O-N 3Å; C461-I542 HydrophobicContact CB-CD1 3.73Å; C461-I542 HydrophobicContact CB-CG1 4.2Å; C461-K687 PolarHBondContact O-NZ 3.49Å
462	V	98.2	Very high	95.8	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-45.7	-178.4	177	0	0	0	0	111.1	Q385 Y386 I387 R460 P543 F601 L607 V683	Q385-V462 HydrophobicContact CB-CG2 3.73Å; Q385-V462 HydrophobicContact CG-CG2 4.25Å; Y386-V462 PolarHBondContact O-N 2.92Å; I387-V462 HydrophobicContact CD1-CB 3.77Å; I387-V462 HydrophobicContact CD1-CG1 4.11Å; I387-V462 HydrophobicContact CD1-CG2 4.08Å; R460-V462 PolarHBondContact O-N 3.21Å; V462-P543 WeakPolarHBondContact O-CD 3.5Å; V462-F601 HydrophobicContact CG1-CD1 3.94Å; V462-F601 HydrophobicContact CG1-CE1 4.29Å; V462-L607 HydrophobicContact CG1-CD1 3.87Å; V462-L607 HydrophobicContact CG1-CD2 3.66Å; V462-L607 HydrophobicContact CG1-CG 4.4Å; V462-L607 HydrophobicContact CG2-CD1 4.49Å; V462-V683 HydrophobicContact CB-CG2 4.31Å; V462-V683 HydrophobicContact CG1-CG2 4.1Å; V462-V683 HydrophobicContact CG2-CG2 3.79Å
463	V	98.6	Very high	95.9	Very high	1 Å²	1	27 Å²	27	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	146.5	-175.4	66.1	0	0	0	0	109.6	I387 I388 I465 L485 P543 F601	I387-V463 HydrophobicContact CB-CG1 4.49Å; I387-V463 HydrophobicContact CD1-CG1 4.18Å; I387-V463 HydrophobicContact CG2-CG1 3.76Å; I388-V463 PolarHBondContact N-O 3.47Å; V463-I465 HydrophobicContact CG2-CG1 4.5Å; V463-L485 HydrophobicContact CG2-CD1 3.75Å; V463-L485 HydrophobicContact CG2-CD2 3.81Å; V463-L485 HydrophobicContact CG2-CG 4.47Å; V463-P543 WeakPolarHBondContact CA-O 3.46Å; V463-P543 WeakPolarHBondContact CG2-O 3.36Å; V463-F601 HydrophobicContact CB-CD1 4.26Å; V463-F601 HydrophobicContact CB-CE1 4.23Å; V463-F601 HydrophobicContact CG1-CB 4.15Å; V463-F601 HydrophobicContact CG1-CD1 3.83Å; V463-F601 HydrophobicContact CG1-CD2 4.15Å; V463-F601 HydrophobicContact CG1-CE1 4.29Å; V463-F601 HydrophobicContact CG1-CG 3.78Å; V463-F601 HydrophobicContact CG2-CE2 4.46Å; V463-F601 HydrophobicContact CG2-CZ 4.39Å
464	Y	98.7	Very high	95.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.9	169.2	177.3	-100.1	0	0	0	110.8	I388 W436 N466 D532 H533 F536 P543 S544 T545	I388-Y464 HydrophobicContact CB-CD2 3.95Å; I388-Y464 HydrophobicContact CG2-CD2 3.7Å; I388-Y464 HydrophobicContact CG2-CE2 3.98Å; I388-Y464 CarbonylContact O-C 3.54Å; I388-Y464 WeakPolarHBondContact O-CA 3.42Å; W436-Y464 HydrophobicContact CZ2-CE2 4.13Å; W436-Y464 AromaticContact NE1-CZ 3.95Å; W436-Y464 PolarHBondContact NE1-OH 3.34Å; Y464-N466 HydrophobicContact CD1-CB 4.35Å; Y464-N466 HydrophobicContact CE1-CB 3.68Å; Y464-N466 WeakPolarHBondContact CE1-OD1 3.41Å; Y464-N466 PolarHBondContact OH-OD1 3.29Å; Y464-D532 WeakPolarHBondContact OH-CB 3.21Å; Y464-H533 HydrophobicContact CD1-CB 3.91Å; Y464-H533 VanDerWaalsContact CE1-CA 3.49Å; Y464-H533 HydrophobicContact CE1-CB 3.81Å; Y464-F536 HydrophobicContact CD1-CB 4.19Å; Y464-F536 AromaticContact CD1-CD2 3.89Å; Y464-F536 HydrophobicContact CD1-CD2 3.89Å; Y464-F536 HydrophobicContact CD1-CE2 4.48Å; Y464-F536 HydrophobicContact CD1-CG 4.06Å; Y464-F536 AromaticContact CD2-CD1 3.88Å; Y464-F536 HydrophobicContact CD2-CD1 3.88Å; Y464-F536 AromaticContact CD2-CD2 3.83Å; Y464-F536 HydrophobicContact CD2-CD2 3.83Å; Y464-F536 AromaticContact CD2-CE1 3.82Å; Y464-F536 HydrophobicContact CD2-CE1 3.82Å; Y464-F536 AromaticContact CD2-CE2 3.77Å; Y464-F536 HydrophobicContact CD2-CE2 3.77Å; Y464-F536 AromaticContact CD2-CG 3.88Å; Y464-F536 HydrophobicContact CD2-CG 3.88Å; Y464-F536 AromaticContact CD2-CZ 3.76Å; Y464-F536 HydrophobicContact CD2-CZ 3.76Å; Y464-F536 AromaticContact CE1-CD2 3.94Å; Y464-F536 HydrophobicContact CE1-CD2 3.94Å; Y464-F536 HydrophobicContact CE1-CE2 4.24Å; Y464-F536 AromaticContact CE2-CD2 3.9Å; Y464-F536 HydrophobicContact CE2-CD2 3.9Å; Y464-F536 HydrophobicContact CE2-CE1 4.25Å; Y464-F536 AromaticContact CE2-CE2 3.51Å; Y464-F536 HydrophobicContact CE2-CE2 3.51Å; Y464-F536 HydrophobicContact CE2-CG 4.42Å; Y464-F536 AromaticContact CE2-CZ 3.7Å; Y464-F536 HydrophobicContact CE2-CZ 3.7Å; Y464-F536 HydrophobicContact CG-CB 4.05Å; Y464-F536 HydrophobicContact CG-CD1 4Å; Y464-F536 AromaticContact CG-CD2 3.84Å; Y464-F536 HydrophobicContact CG-CD2 3.84Å; Y464-F536 HydrophobicContact CG-CE1 4.41Å; Y464-F536 HydrophobicContact CG-CE2 4.26Å; Y464-F536 AromaticContact CG-CG 3.7Å; Y464-F536 HydrophobicContact CG-CG 3.7Å; Y464-F536 AromaticContact CZ-CD2 3.96Å; Y464-F536 AromaticContact CZ-CE2 3.77Å; Y464-P543 PolarHBondContact N-O 3.47Å; Y464-S544 WeakPolarHBondContact O-CA 3.19Å; Y464-T545 PolarHBondContact O-N 3.11Å; Y464-T545 VanDerWaalsContact O-N 3.1Å
465	I	98.8	Very high	95.7	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	112	177.7	-56	166.6	0	0	0	108.2	I388 M389 G390 V463 T545 I594 L597 I598	I388-I465 PolarHBondContact O-N 3.36Å; M389-I465 CarbonylContact C-O 3.58Å; M389-I465 VanDerWaalsContact CA-O 3.25Å; M389-I465 WeakPolarHBondContact CA-O 3.42Å; M389-I465 HydrophobicContact CB-CB 4.23Å; M389-I465 HydrophobicContact CG-CB 4.33Å; M389-I465 HydrophobicContact CG-CG2 4.48Å; G390-I465 PolarHBondContact N-O 3.2Å; V463-I465 HydrophobicContact CG2-CG1 4.5Å; I465-T545 HydrophobicContact CB-CG2 4.35Å; I465-T545 HydrophobicContact CG1-CG2 4Å; I465-T545 HydrophobicContact CG2-CG2 4.05Å; I465-I594 HydrophobicContact CG2-CD1 4.45Å; I465-I594 HydrophobicContact CG2-CG1 4.28Å; I465-I594 HydrophobicContact CG2-CG2 3.86Å; I465-L597 HydrophobicContact CD1-CB 3.93Å; I465-I598 HydrophobicContact CD1-CG1 3.7Å
466	N	98.5	Very high	95.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	140	178.3	-158.5	55.8	0	0	0	110.7	Y464 S531 H533 T545 Y546	Y464-N466 HydrophobicContact CD1-CB 4.35Å; Y464-N466 HydrophobicContact CE1-CB 3.68Å; Y464-N466 WeakPolarHBondContact CE1-OD1 3.41Å; Y464-N466 PolarHBondContact OH-OD1 3.29Å; N466-S531 WeakPolarHBondContact ND2-CB 3.48Å; N466-S531 PolarHBondContact ND2-OG 3.33Å; N466-H533 HydrophobicContact CB-CB 4.1Å; N466-T545 PolarHBondContact N-O 3.39Å; N466-Y546 HydrophobicContact CB-CD1 4.22Å; N466-Y546 HydrophobicContact CB-CD2 4.35Å; N466-Y546 HydrophobicContact CB-CG 3.93Å; N466-Y546 VanDerWaalsContact ND2-CD1 3.26Å; N466-Y546 WeakPolarHBondContact ND2-CD1 3.36Å; N466-Y546 VanDerWaalsContact ND2-CE1 3.28Å; N466-Y546 WeakPolarHBondContact ND2-CE1 3.37Å
467	S	96.7	Very high	95.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.11	C	C	.	.			trans	-135.6	35.4	-176.2	-170.2	0	0	0	0	113.6	G390 N391 G406 P470	G390-S467 PolarHBondContact O-N 2.91Å; N391-S467 PolarHBondContact OD1-O 2.91Å; G406-S467 WeakPolarHBondContact CA-O 3.2Å; S467-P470 WeakPolarHBondContact O-CD 3.48Å
468	D	94.7	Very high	95.5	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.021	11%	0.113	C	C	.	.	S	Bend	trans	-77.4	130.8	175	163.7	1.4	0	0	0	110.9	N391 H392 P470 S531 Y546	N391-D468 WeakPolarHBondContact OD1-CA 3.49Å; N391-D468 PolarHBondContact OD1-N 2.8Å; H392-D468 IonicContact NE2-OD1 3.96Å; H392-D468 IonicContact NE2-OD2 3.07Å; D468-P470 VanDerWaalsContact C-N 3.34Å; D468-P470 WeakPolarHBondContact O-CD 3.37Å; D468-P470 VanDerWaalsContact O-N 3.09Å; D468-S531 VanDerWaalsContact CB-OG 3.25Å; D468-S531 WeakPolarHBondContact CB-OG 3.49Å; D468-S531 VanDerWaalsContact OD2-CB 3.24Å; D468-S531 WeakPolarHBondContact OD2-CB 3.16Å; D468-S531 PolarHBondContact OD2-OG 2.83Å; D468-Y546 HydrophobicContact CB-CE2 4.45Å; D468-Y546 WeakPolarHBondContact O-CE2 3.17Å; D468-Y546 PolarHBondContact O-OH 3.46Å
469	C	94.7	Very high	95.6	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.014	10%	0.1	C	C	.	.	S	Bend	trans	46.4	41.2	179.8	-67.5	0	0	0	0	116.9	D402 S405 V471 K472	D402-C469 WeakPolarHBondContact CA-SG 2.97Å; D402-C469 WeakPolarHBondContact CB-SG 2.96Å; D402-C469 PolarHBondContact OD1-SG 3.14Å; D402-C469 VanDerWaalsContact OD1-SG 3.33Å; S405-C469 WeakPolarHBondContact OG-CA 3.37Å; C469-V471 PolarHBondContact O-N 3.11Å; C469-V471 VanDerWaalsContact O-N 3.11Å; C469-K472 HydrophobicContact CB-CD 3.94Å; C469-K472 HydrophobicContact CB-CG 4.09Å; C469-K472 VanDerWaalsContact O-CE 3.26Å; C469-K472 WeakPolarHBondContact O-CE 3.32Å
470	P	97	Very high	95.7	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.077	C	C	.	.			trans	-69.6	-13.8	-171.7	27.6	-35.9	0	0	0	113.1	S405 I409 S467 D468 E548 F549 I590	S405-P470 WeakPolarHBondContact OG-CD 3.41Å; I409-P470 HydrophobicContact CD1-CB 4.37Å; I409-P470 HydrophobicContact CD1-CG 3.65Å; S467-P470 WeakPolarHBondContact O-CD 3.48Å; D468-P470 VanDerWaalsContact C-N 3.34Å; D468-P470 WeakPolarHBondContact O-CD 3.37Å; D468-P470 VanDerWaalsContact O-N 3.09Å; P470-E548 CarbonylContact O-C 3.47Å; P470-E548 VanDerWaalsContact O-CA 3.27Å; P470-E548 WeakPolarHBondContact O-CA 3.29Å; P470-F549 PolarHBondContact O-N 3.49Å; P470-I590 HydrophobicContact CB-CG2 4.05Å
471	V	97.6	Very high	95.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-130.5	85.5	-179.4	-170.9	0	0	0	0	110.5	C469 D576 R586 I590	C469-V471 PolarHBondContact O-N 3.11Å; C469-V471 VanDerWaalsContact O-N 3.11Å; V471-D576 HydrophobicContact CG1-CB 3.81Å; V471-R586 HydrophobicContact CG1-CB 3.85Å; V471-R586 HydrophobicContact CG2-CB 4.46Å; V471-I590 HydrophobicContact CG2-CG1 4.18Å
472	K	95.7	Very high	95.6	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.017	6%	0.063	C	C	.	.	S	Bend	trans	-99.6	-2.7	174.3	-66.8	168.6	-75.5	179.1	0	113.1	C401 C469 E548 F549 P551 Y556 N557 T558	C401-K472 VanDerWaalsContact SG-CG 3.54Å; C469-K472 HydrophobicContact CB-CD 3.94Å; C469-K472 HydrophobicContact CB-CG 4.09Å; C469-K472 VanDerWaalsContact O-CE 3.26Å; C469-K472 WeakPolarHBondContact O-CE 3.32Å; K472-E548 VanDerWaalsContact CE-OE2 3.29Å; K472-E548 WeakPolarHBondContact CE-OE2 3.43Å; K472-E548 IonicContact NZ-OE1 3.79Å; K472-E548 IonicContact NZ-OE2 2.85Å; K472-E548 PolarHBondContact NZ-OE2 2.98Å; K472-F549 WeakPolarHBondContact CA-O 3.43Å; K472-F549 WeakPolarHBondContact CB-O 3.44Å; K472-F549 PolarHBondContact N-O 3.2Å; K472-P551 HydrophobicContact CB-CG 4.13Å; K472-Y556 PolarHBondContact NZ-O 3.07Å; K472-N557 PolarHBondContact NZ-OD1 2.71Å; K472-T558 HydrophobicContact CB-CG2 3.9Å; K472-T558 HydrophobicContact CG-CG2 4.31Å; K472-T558 WeakPolarHBondContact O-CG2 3.27Å
473	G	95	Very high	95.4	Very high	2 Å²	2	13.2 Å²	13.2	2%	0.021	6%	0.063	C	C	.	.			trans	-174.4	-170.9	-179	0	0	0	0	0	109.3	F549 L550 T575	G473-F549 PolarHBondContact N-O 2.97Å; G473-F549 WeakPolarHBondContact O-CB 3.43Å; G473-L550 WeakPolarHBondContact CA-O 3.34Å; G473-T575 CarbonylContact C-O 3.55Å; G473-T575 WeakPolarHBondContact CA-O 3.38Å
474	H	92.9	Very high	95.3	Very high	44 Å²	44	13.2 Å²	13.2	20%	0.204	6%	0.064	C	C	.	.	S	Bend	trans	-138.4	3.3	-171.2	56	-88	0	0	0	115	D552 F574 T575 R586	H474-D552 IonicContact CD2-OD2 2.8Å; H474-D552 IonicContact CE1-OD2 3.49Å; H474-D552 PolarHBondContact CE1-OD2 3.18Å; H474-D552 IonicContact CG-OD2 3.56Å; H474-D552 PolarHBondContact N-OD1 2.72Å; H474-D552 IonicContact ND1-OD1 2.77Å; H474-D552 IonicContact ND1-OD2 3.27Å; H474-D552 IonicContact NE2-OD2 3.95Å; H474-D552 PolarHBondContact NE2-OD2 2.85Å; H474-F574 PolarHBondContact CE1-O 3.46Å; H474-F574 PolarHBondContact ND1-O 3.43Å; H474-T575 WeakPolarHBondContact CB-O 3.44Å; H474-T575 PolarHBondContact ND1-O 3.44Å; H474-T575 VanDerWaalsContact ND1-O 3.14Å; H474-R586 HydrophobicContact CB-CG 3.62Å; H474-R586 PolarHBondContact O-NE 2.77Å; H474-R586 PolarHBondContact O-NH2 3.31Å
475	K	90.2	Very high	95.3	Very high	116 Å²	116	13.3 Å²	13.3	50%	0.504	6%	0.064	S	C	.	.	S	Bend	trans	-112.9	-39.8	177.2	-63.3	-178.1	-175	110.6	0	113.6	N514 D552	K475-N514 PolarHBondContact O-ND2 3.26Å; K475-D552 WeakPolarHBondContact CB-OD1 3.44Å; K475-D552 WeakPolarHBondContact CD-OD2 3.24Å; K475-D552 WeakPolarHBondContact CE-OD2 3.33Å; K475-D552 WeakPolarHBondContact CG-OD2 3.49Å; K475-D552 PolarHBondContact N-OD1 3.08Å; K475-D552 IonicContact NZ-OD2 3.45Å; K475-D552 PolarHBondContact NZ-OD2 3.39Å
476	N	91.5	Very high	95.2	Very high	46 Å²	46	13.8 Å²	13.8	25%	0.246	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	93.4	-166.1	-63.7	-37.3	0	0	0	111.5	F549 L550 P551	N476-F549 CarbonylContact O-C 3.46Å; N476-F549 WeakPolarHBondContact O-CA 3.42Å; N476-L550 HydrophobicContact CB-CB 4.07Å; N476-L550 PolarHBondContact O-N 3.39Å; N476-P551 PolarHBondContact ND2-O 3.31Å; N476-P551 VanDerWaalsContact ND2-O 3.12Å
477	F	94.1	Very high	95.1	Very high	23 Å²	23	16 Å²	16	10%	0.101	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	137.8	175.7	-179.9	-105.7	0	0	0	112.4	A479 F507 W511 P547 E548 F549 I590 L593	F477-A479 HydrophobicContact CE1-CB 4.32Å; F477-F507 HydrophobicContact CB-CZ 3.96Å; F477-F507 HydrophobicContact CD1-CE1 4.16Å; F477-F507 AromaticContact CD1-CZ 3.92Å; F477-F507 HydrophobicContact CD1-CZ 3.92Å; F477-F507 AromaticContact CD2-CE1 3.96Å; F477-F507 HydrophobicContact CD2-CE1 3.96Å; F477-F507 AromaticContact CD2-CZ 3.5Å; F477-F507 HydrophobicContact CD2-CZ 3.5Å; F477-F507 VanDerWaalsContact CD2-CZ 3.5Å; F477-F507 HydrophobicContact CE1-CE1 4.03Å; F477-F507 HydrophobicContact CE1-CZ 4.25Å; F477-F507 AromaticContact CE2-CE1 3.8Å; F477-F507 HydrophobicContact CE2-CE1 3.8Å; F477-F507 AromaticContact CE2-CZ 3.86Å; F477-F507 HydrophobicContact CE2-CZ 3.86Å; F477-F507 HydrophobicContact CG-CE1 4.11Å; F477-F507 AromaticContact CG-CZ 3.51Å; F477-F507 HydrophobicContact CG-CZ 3.51Å; F477-F507 AromaticContact CZ-CE1 3.83Å; F477-F507 HydrophobicContact CZ-CE1 3.83Å; F477-F507 HydrophobicContact CZ-CZ 4.21Å; F477-W511 AromaticContact CD1-CD1 3.72Å; F477-W511 AromaticContact CD1-CD2 3.69Å; F477-W511 HydrophobicContact CD1-CD2 3.69Å; F477-W511 AromaticContact CD1-CE2 3.59Å; F477-W511 HydrophobicContact CD1-CE3 4.34Å; F477-W511 AromaticContact CD1-CG 3.81Å; F477-W511 HydrophobicContact CD1-CG 3.81Å; F477-W511 HydrophobicContact CD1-CZ2 4.16Å; F477-W511 AromaticContact CD1-NE1 3.6Å; F477-W511 AromaticContact CE1-CD2 3.77Å; F477-W511 HydrophobicContact CE1-CD2 3.77Å; F477-W511 AromaticContact CE1-CE2 3.68Å; F477-W511 AromaticContact CE1-CE3 3.98Å; F477-W511 HydrophobicContact CE1-CE3 3.98Å; F477-W511 HydrophobicContact CE1-CG 4.35Å; F477-W511 HydrophobicContact CE1-CH2 4.04Å; F477-W511 AromaticContact CE1-CZ2 3.84Å; F477-W511 HydrophobicContact CE1-CZ2 3.84Å; F477-W511 HydrophobicContact CE1-CZ3 4.11Å; F477-P547 HydrophobicContact CE2-CB 3.82Å; F477-P547 HydrophobicContact CZ-CB 3.85Å; F477-E548 WeakPolarHBondContact CA-O 3.36Å; F477-E548 VanDerWaalsContact CD2-O 3.22Å; F477-E548 WeakPolarHBondContact CD2-O 3.24Å; F477-F549 HydrophobicContact CB-CD1 4.18Å; F477-F549 HydrophobicContact CB-CE1 3.93Å; F477-F549 HydrophobicContact CB-CZ 4.42Å; F477-F549 HydrophobicContact CD2-CD2 4.48Å; F477-F549 HydrophobicContact CD2-CE1 4.49Å; F477-F549 HydrophobicContact CD2-CE2 4.28Å; F477-F549 HydrophobicContact CD2-CZ 4.28Å; F477-I590 HydrophobicContact CD2-CD1 4.47Å; F477-I590 HydrophobicContact CE2-CD1 4.06Å; F477-L593 HydrophobicContact CE2-CD2 4.13Å; F477-L593 HydrophobicContact CZ-CD2 4.04Å
478	S	94	Very high	95.2	Very high	10 Å²	10	16 Å²	16	7%	0.07	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	124.6	174.8	179	0	0	0	0	109.1	R480 T525 E548	S478-R480 WeakPolarHBondContact OG-CG 3.24Å; S478-T525 PolarHBondContact OG-OG1 2.77Å; S478-E548 PolarHBondContact N-O 3Å; S478-E548 PolarHBondContact O-N 3.5Å
479	A	94.7	Very high	95.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.078	C	C	.	.			trans	-70.7	-36.4	-176.2	0	0	0	0	0	114.1	F477 T481 L489 W511 T525	F477-A479 HydrophobicContact CE1-CB 4.32Å; A479-T481 HydrophobicContact CB-CG2 4.2Å; A479-T481 PolarHBondContact O-N 3.49Å; A479-L489 HydrophobicContact CB-CD2 3.53Å; A479-W511 HydrophobicContact CB-CH2 3.82Å; A479-W511 HydrophobicContact CB-CZ2 3.67Å; A479-T525 PolarHBondContact N-OG1 3.03Å
480	R	94.4	Very high	95.4	Very high	9 Å²	9	16.1 Å²	16.1	3%	0.034	8%	0.079	C	C	.	.			trans	30.7	68.7	-170	-62.2	-177.1	60.6	-176.6	1.4	112.3	S478 T525 L527 G529 Y546 E548 Y556	S478-R480 WeakPolarHBondContact OG-CG 3.24Å; R480-T525 VanDerWaalsContact CA-O 3.27Å; R480-T525 WeakPolarHBondContact CA-O 3.17Å; R480-T525 PolarHBondContact N-O 3.27Å; R480-T525 PolarHBondContact N-OG1 3.2Å; R480-L527 VanDerWaalsContact CZ-O 3.3Å; R480-L527 PolarHBondContact NE-O 2.76Å; R480-L527 PolarHBondContact NH2-O 2.93Å; R480-L527 VanDerWaalsContact O-CD1 3.23Å; R480-L527 WeakPolarHBondContact O-CD1 3.09Å; R480-G529 PolarHBondContact NH2-O 2.69Å; R480-G529 VanDerWaalsContact NH2-O 3.12Å; R480-Y546 WeakPolarHBondContact CB-O 3.17Å; R480-Y546 PolarHBondContact O-N 3.17Å; R480-E548 VanDerWaalsContact CD-CD 3.45Å; R480-E548 WeakPolarHBondContact CD-OE1 3.31Å; R480-E548 IonicContact NH1-OE1 3.87Å; R480-E548 IonicContact NH1-OE2 2.85Å; R480-E548 PolarHBondContact NH1-OE2 3.41Å; R480-Y556 PolarHBondContact NH1-OH 2.8Å
481	T	96.1	Very high	95.3	Very high	5 Å²	5	19.3 Å²	19.3	3%	0.031	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-127.7	148	-169.4	-157.3	0	0	0	0	112	A479 L485 I486 L489 I524 T525 T545	A479-T481 HydrophobicContact CB-CG2 4.2Å; A479-T481 PolarHBondContact O-N 3.49Å; T481-L485 WeakPolarHBondContact OG1-CB 3.45Å; T481-I486 HydrophobicContact CG2-CG1 3.82Å; T481-L489 HydrophobicContact CG2-CD2 4.19Å; T481-I524 HydrophobicContact CG2-CG2 3.8Å; T481-T525 PolarHBondContact N-O 3.38Å; T481-T545 VanDerWaalsContact CB-OG1 3.28Å; T481-T545 WeakPolarHBondContact CB-OG1 3.29Å; T481-T545 VanDerWaalsContact OG1-CB 3.29Å; T481-T545 WeakPolarHBondContact OG1-CB 3.5Å; T481-T545 PolarHBondContact OG1-OG1 2.87Å
482	D	95.7	Very high	95.3	Very high	7 Å²	7	19.3 Å²	19.3	4%	0.037	10%	0.096	C	C	.	.			trans	-62.6	140.7	166.9	-170.5	-34.2	0	0	0	109.9	L484 L485 I486 P543 S544 Q705	D482-L484 PolarHBondContact O-N 3.04Å; D482-L484 VanDerWaalsContact O-N 3.08Å; D482-L484 PolarHBondContact OD1-N 2.88Å; D482-L485 HydrophobicContact CB-CD1 4.19Å; D482-L485 HydrophobicContact CB-CG 4.19Å; D482-L485 PolarHBondContact O-N 3.3Å; D482-I486 PolarHBondContact O-N 2.9Å; D482-P543 HydrophobicContact CB-CB 4.46Å; D482-S544 WeakPolarHBondContact CB-O 3.41Å; D482-S544 PolarHBondContact N-O 2.63Å; D482-Q705 PolarHBondContact OD1-NE2 3.08Å; D482-Q705 PolarHBondContact OD2-OE1 3.44Å; D482-Q705 VanDerWaalsContact OD2-OE1 3.11Å
483	S	94.8	Very high	95.4	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.021	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.5	-33.4	170.3	61.3	0	0	0	0	115.5	L485 C614 Y714	S483-L485 VanDerWaalsContact C-N 3.25Å; S483-L485 PolarHBondContact O-N 3.21Å; S483-C614 PolarHBondContact OG-SG 3.2Å; S483-Y714 WeakPolarHBondContact CB-OH 3.12Å
484	L	96.5	Very high	95.4	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-21.4	177.2	-74.6	167.9	0	0	0	113.5	D482 P543 L609 S610 I611 C614 V685	D482-L484 PolarHBondContact O-N 3.04Å; D482-L484 VanDerWaalsContact O-N 3.08Å; D482-L484 PolarHBondContact OD1-N 2.88Å; L484-P543 HydrophobicContact CB-CB 4.49Å; L484-P543 HydrophobicContact CD1-CB 4.49Å; L484-P543 HydrophobicContact CD1-CG 3.97Å; L484-L609 HydrophobicContact CB-CD2 4.29Å; L484-S610 PolarHBondContact O-N 3.02Å; L484-I611 HydrophobicContact CD2-CG1 4.39Å; L484-C614 HydrophobicContact CD2-CB 3.49Å; L484-C614 VanDerWaalsContact CD2-CB 3.49Å; L484-C614 HydrophobicContact CG-CB 3.84Å; L484-V685 HydrophobicContact CD1-CG1 4.37Å; L484-V685 HydrophobicContact CD2-CG1 4.21Å
485	L	97.9	Very high	95.5	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-6.5	-172.2	-58	-179.9	0	0	0	113.4	V463 T481 D482 S483 D487 S488 L489 P543 S544 T545 F601 L609	V463-L485 HydrophobicContact CG2-CD1 3.75Å; V463-L485 HydrophobicContact CG2-CD2 3.81Å; V463-L485 HydrophobicContact CG2-CG 4.47Å; T481-L485 WeakPolarHBondContact OG1-CB 3.45Å; D482-L485 HydrophobicContact CB-CD1 4.19Å; D482-L485 HydrophobicContact CB-CG 4.19Å; D482-L485 PolarHBondContact O-N 3.3Å; S483-L485 VanDerWaalsContact C-N 3.25Å; S483-L485 PolarHBondContact O-N 3.21Å; L485-D487 VanDerWaalsContact C-N 3.34Å; L485-D487 PolarHBondContact O-N 2.93Å; L485-S488 WeakPolarHBondContact O-CB 3.48Å; L485-S488 PolarHBondContact O-N 3.16Å; L485-S488 VanDerWaalsContact O-N 3.07Å; L485-S488 PolarHBondContact O-OG 3.39Å; L485-L489 PolarHBondContact O-N 3.27Å; L485-P543 HydrophobicContact CD1-CB 4.01Å; L485-P543 HydrophobicContact CD2-CB 3.98Å; L485-P543 HydrophobicContact CG-CB 3.95Å; L485-S544 VanDerWaalsContact CD1-C 3.41Å; L485-S544 WeakPolarHBondContact CD1-O 3.09Å; L485-T545 HydrophobicContact CD1-CG2 4.38Å; L485-F601 HydrophobicContact CD2-CE1 4.18Å; L485-F601 HydrophobicContact CD2-CE2 4.16Å; L485-F601 HydrophobicContact CD2-CZ 3.43Å; L485-F601 VanDerWaalsContact CD2-CZ 3.43Å; L485-L609 HydrophobicContact CD2-CD2 3.76Å
486	I	96.6	Very high	95.8	Very high	12 Å²	12	18.6 Å²	18.6	6%	0.062	9%	0.094	C	C	.	.	H	α-helix	trans	-53.9	-49.2	-173.9	-58.8	175.6	0	0	0	111.6	T481 D482 S488 L489 I490 I524 R613	T481-I486 HydrophobicContact CG2-CG1 3.82Å; D482-I486 PolarHBondContact O-N 2.9Å; I486-S488 VanDerWaalsContact C-N 3.33Å; I486-S488 PolarHBondContact O-N 3.47Å; I486-L489 PolarHBondContact O-N 3.36Å; I486-I490 HydrophobicContact CG2-CD1 3.87Å; I486-I490 HydrophobicContact CG2-CG1 4.47Å; I486-I490 WeakPolarHBondContact O-CG1 3.49Å; I486-I490 PolarHBondContact O-N 3.39Å; I486-I524 HydrophobicContact CD1-CG2 3.89Å; I486-I524 HydrophobicContact CG1-CG2 3.91Å; I486-I524 HydrophobicContact CG2-CD1 3.75Å; I486-I524 HydrophobicContact CG2-CG1 3.73Å; I486-I524 HydrophobicContact CG2-CG2 4.29Å; I486-R613 HydrophobicContact CD1-CG 4.31Å
487	D	96.5	Very high	95.9	Very high	45 Å²	45	19.6 Å²	19.6	24%	0.241	10%	0.103	C	C	.	.	H	α-helix	trans	-72.3	-30.4	-177	-58.6	-27.7	0	0	0	111.9	L485 I490 N491 S610 R613	L485-D487 VanDerWaalsContact C-N 3.34Å; L485-D487 PolarHBondContact O-N 2.93Å; D487-I490 PolarHBondContact O-N 3.35Å; D487-N491 VanDerWaalsContact O-CB 3.22Å; D487-N491 WeakPolarHBondContact O-CB 3.44Å; D487-N491 PolarHBondContact O-N 2.87Å; D487-N491 PolarHBondContact O-ND2 2.91Å; D487-S610 VanDerWaalsContact CB-OG 3.28Å; D487-S610 WeakPolarHBondContact CB-OG 3.37Å; D487-S610 WeakPolarHBondContact OD2-CB 3.34Å; D487-S610 PolarHBondContact OD2-OG 3.21Å; D487-S610 VanDerWaalsContact OD2-OG 3.05Å; D487-R613 WeakPolarHBondContact OD1-CD 3.49Å; D487-R613 IonicContact OD1-CZ 3.47Å; D487-R613 IonicContact OD1-NE 2.86Å; D487-R613 PolarHBondContact OD1-NE 3.13Å; D487-R613 IonicContact OD1-NH1 3.74Å; D487-R613 PolarHBondContact OD1-NH1 2.8Å; D487-R613 IonicContact OD1-NH2 2.71Å; D487-R613 IonicContact OD2-NE 3.59Å; D487-R613 PolarHBondContact OD2-NE 3.23Å
488	S	97.7	Very high	95.8	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.014	10%	0.1	C	C	.	.	H	α-helix	trans	-62.6	-44	172	72.7	0	0	0	0	111.2	L485 I486 N491 A492 Q600 F601	L485-S488 WeakPolarHBondContact O-CB 3.48Å; L485-S488 PolarHBondContact O-N 3.16Å; L485-S488 VanDerWaalsContact O-N 3.07Å; L485-S488 PolarHBondContact O-OG 3.39Å; I486-S488 VanDerWaalsContact C-N 3.33Å; I486-S488 PolarHBondContact O-N 3.47Å; S488-N491 PolarHBondContact O-N 2.74Å; S488-A492 WeakPolarHBondContact O-CB 3.38Å; S488-A492 PolarHBondContact O-N 2.64Å; S488-Q600 PolarHBondContact O-OE1 3.26Å; S488-Q600 VanDerWaalsContact O-OE1 3.09Å; S488-F601 WeakPolarHBondContact OG-CE2 3.37Å
489	L	97.8	Very high	95.7	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-65.5	-43.6	176.4	-177.8	64.4	0	0	0	112.2	A479 T481 L485 I486 N491 A492 A493 W511 P547 L593 L597	A479-L489 HydrophobicContact CB-CD2 3.53Å; T481-L489 HydrophobicContact CG2-CD2 4.19Å; L485-L489 PolarHBondContact O-N 3.27Å; I486-L489 PolarHBondContact O-N 3.36Å; L489-N491 VanDerWaalsContact C-N 3.34Å; L489-N491 PolarHBondContact O-N 2.89Å; L489-A492 PolarHBondContact O-N 3.01Å; L489-A493 WeakPolarHBondContact O-CB 3.39Å; L489-A493 PolarHBondContact O-N 2.84Å; L489-W511 HydrophobicContact CD2-CH2 4Å; L489-W511 HydrophobicContact CD2-CZ3 4.37Å; L489-W511 HydrophobicContact CG-CH2 4.39Å; L489-W511 HydrophobicContact CG-CZ3 4.3Å; L489-P547 HydrophobicContact CD1-CG 4.01Å; L489-L593 HydrophobicContact CD1-CD1 4.19Å; L489-L593 HydrophobicContact CD1-CD2 4.12Å; L489-L593 HydrophobicContact CD1-CG 4.32Å; L489-L597 HydrophobicContact CD1-CD1 3.88Å
490	I	96.5	Very high	95.4	Very high	7 Å²	7	20.1 Å²	20.1	4%	0.036	11%	0.108	C	C	.	.	H	α-helix	trans	-60.6	-44.9	175	-74.2	172.7	0	0	0	110.7	I486 D487 A493 K494 Y508 W511	I486-I490 HydrophobicContact CG2-CD1 3.87Å; I486-I490 HydrophobicContact CG2-CG1 4.47Å; I486-I490 WeakPolarHBondContact O-CG1 3.49Å; I486-I490 PolarHBondContact O-N 3.39Å; D487-I490 PolarHBondContact O-N 3.35Å; I490-A493 PolarHBondContact O-N 3.43Å; I490-K494 HydrophobicContact CG2-CD 4.16Å; I490-K494 WeakPolarHBondContact O-CG 3.49Å; I490-K494 PolarHBondContact O-N 2.54Å; I490-Y508 HydrophobicContact CG1-CE2 4.47Å; I490-Y508 HydrophobicContact CG2-CD2 3.81Å; I490-Y508 HydrophobicContact CG2-CE2 3.7Å; I490-W511 HydrophobicContact CG1-CZ3 4.18Å
491	N	95.9	Very high	94.8	Very high	66 Å²	66	23 Å²	23	35%	0.353	13%	0.127	S	C	.	.	H	α-helix	trans	-66	-39.4	180	-72.2	-26.1	0	0	0	111.7	D487 S488 L489 K494 L495	D487-N491 VanDerWaalsContact O-CB 3.22Å; D487-N491 WeakPolarHBondContact O-CB 3.44Å; D487-N491 PolarHBondContact O-N 2.87Å; D487-N491 PolarHBondContact O-ND2 2.91Å; S488-N491 PolarHBondContact O-N 2.74Å; L489-N491 VanDerWaalsContact C-N 3.34Å; L489-N491 PolarHBondContact O-N 2.89Å; N491-K494 PolarHBondContact O-N 2.79Å; N491-L495 PolarHBondContact O-N 2.83Å
492	A	97.6	Very high	94.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.8	-46.1	172.3	0	0	0	0	0	111.5	S488 L489 K494 L495 V496 L593 T596 L597	S488-A492 WeakPolarHBondContact O-CB 3.38Å; S488-A492 PolarHBondContact O-N 2.64Å; L489-A492 PolarHBondContact O-N 3.01Å; A492-K494 VanDerWaalsContact C-N 3.27Å; A492-K494 PolarHBondContact O-N 3.17Å; A492-L495 PolarHBondContact O-N 3.37Å; A492-V496 WeakPolarHBondContact O-CG2 3.38Å; A492-V496 PolarHBondContact O-N 3.07Å; A492-L593 HydrophobicContact CB-CD1 3.88Å; A492-T596 HydrophobicContact CB-CG2 3.71Å; A492-L597 HydrophobicContact CB-CD2 3.85Å; A492-L597 HydrophobicContact CB-CG 3.82Å
493	A	96.7	Very high	93.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-30.5	178.6	0	0	0	0	0	113.4	L489 I490 L495 F507 Y508 W511 L593	L489-A493 WeakPolarHBondContact O-CB 3.39Å; L489-A493 PolarHBondContact O-N 2.84Å; I490-A493 PolarHBondContact O-N 3.43Å; A493-L495 VanDerWaalsContact C-N 3.31Å; A493-F507 HydrophobicContact CB-CD1 3.92Å; A493-F507 PolarHBondContact O-N 3.42Å; A493-Y508 PolarHBondContact O-N 3.4Å; A493-W511 HydrophobicContact CB-CE3 4.36Å; A493-L593 HydrophobicContact CB-CD1 4.2Å
494	K	95.7	Very high	92.5	Very high	101 Å²	101	42.3 Å²	42.3	44%	0.439	23%	0.226	S	C	.	.	H	α-helix	trans	-70.2	-25.3	174.2	-75.5	172.5	179.1	171.9	0	113.5	I490 N491 A492 S506 Y508	I490-K494 HydrophobicContact CG2-CD 4.16Å; I490-K494 WeakPolarHBondContact O-CG 3.49Å; I490-K494 PolarHBondContact O-N 2.54Å; N491-K494 PolarHBondContact O-N 2.79Å; A492-K494 VanDerWaalsContact C-N 3.27Å; A492-K494 PolarHBondContact O-N 3.17Å; K494-S506 WeakPolarHBondContact O-CB 3.38Å; K494-Y508 HydrophobicContact CD-CG 4.47Å; K494-Y508 HydrophobicContact CG-CD1 4.02Å; K494-Y508 HydrophobicContact CG-CD2 4.07Å; K494-Y508 HydrophobicContact CG-CG 3.61Å
495	L	95	Very high	92.1	Very high	48 Å²	48	44.9 Å²	44.9	25%	0.251	24%	0.238	S	C	.	.	H	α-helix	trans	-91.4	-19.7	-178.1	-70	173.4	0	0	0	113.5	W34 Q35 N491 A492 A493 T596	W34-L495 HydrophobicContact CE3-CD1 4.48Å; W34-L495 HydrophobicContact CH2-CD1 3.21Å; W34-L495 HydrophobicContact CZ2-CD1 4.01Å; W34-L495 HydrophobicContact CZ3-CD1 3.49Å; W34-L495 VanDerWaalsContact CZ3-CD1 3.49Å; Q35-L495 HydrophobicContact CB-CD1 4.13Å; Q35-L495 HydrophobicContact CB-CD2 4.31Å; Q35-L495 HydrophobicContact CG-CD1 3.54Å; Q35-L495 HydrophobicContact CG-CD2 4.05Å; Q35-L495 HydrophobicContact CG-CG 4.46Å; N491-L495 PolarHBondContact O-N 2.83Å; A492-L495 PolarHBondContact O-N 3.37Å; A493-L495 VanDerWaalsContact C-N 3.31Å; L495-T596 HydrophobicContact CB-CG2 4.37Å; L495-T596 HydrophobicContact CD1-CG2 4.25Å
496	V	95.7	Very high	91.9	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.012	24%	0.243	C	C	.	.	S	Bend	trans	-93.3	125.8	-178	177.1	0	0	0	0	109.6	A492 S506 F507 L589 R592 T596	A492-V496 WeakPolarHBondContact O-CG2 3.38Å; A492-V496 PolarHBondContact O-N 3.07Å; V496-S506 CarbonylContact O-C 3.23Å; V496-S506 WeakPolarHBondContact O-CA 3.47Å; V496-F507 PolarHBondContact O-N 3.02Å; V496-L589 HydrophobicContact CG1-CD1 3.61Å; V496-R592 HydrophobicContact CG1-CB 3.64Å; V496-R592 HydrophobicContact CG2-CB 4.11Å; V496-T596 WeakPolarHBondContact CG2-OG1 3.27Å
497	P	93.6	Very high	91.9	Very high	68 Å²	68	45 Å²	45	44%	0.442	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-69.8	145.5	173.2	29.7	-34	0	0	0	110.5	L589	P497-L589 WeakPolarHBondContact O-CD1 3.23Å
498	V	93.4	Very high	91.8	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.03	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-60.1	147	171.2	64.5	0	0	0	0	111.1	P500 P501 I502 Q505 E510	V498-P500 CarbonylContact O-C 2.96Å; V498-P501 VanDerWaalsContact O-CA 3.25Å; V498-P501 WeakPolarHBondContact O-CA 3.49Å; V498-I502 HydrophobicContact CG1-CB 4.29Å; V498-Q505 HydrophobicContact CG1-CB 4.22Å; V498-Q505 PolarHBondContact N-O 3.03Å; V498-E510 HydrophobicContact CG2-CB 4.27Å; V498-E510 HydrophobicContact CG2-CG 4.41Å; V498-E510 WeakPolarHBondContact CG2-OE2 3.39Å
499	D	91.6	Very high	91.5	Very high	6 Å²	6	47 Å²	47	3%	0.032	25%	0.248	C	C	.	.	S	Bend	trans	-129.6	116	176.1	-162.4	-18.8	0	0	0	109.1	T581 P585 R586 R588 L589 R592	D499-T581 PolarHBondContact OD1-OG1 3.34Å; D499-P585 HydrophobicContact CB-CB 4.47Å; D499-R586 PolarHBondContact O-NH1 2.89Å; D499-R588 IonicContact OD1-CZ 2.83Å; D499-R588 IonicContact OD1-NE 3Å; D499-R588 IonicContact OD1-NH2 3.96Å; D499-R588 PolarHBondContact OD1-NH2 3.48Å; D499-R588 IonicContact OD2-CZ 3.03Å; D499-R588 IonicContact OD2-NE 3.34Å; D499-R588 PolarHBondContact OD2-NE 2.89Å; D499-R588 IonicContact OD2-NH2 3.08Å; D499-R588 PolarHBondContact OD2-NH2 3.39Å; D499-L589 HydrophobicContact CB-CB 4.21Å; D499-R592 IonicContact OD2-CZ 3.53Å; D499-R592 IonicContact OD2-NH1 2.78Å; D499-R592 PolarHBondContact OD2-NH1 3.41Å; D499-R592 IonicContact OD2-NH2 3.42Å
500	P	87.4	Confident	91.2	Very high	33 Å²	33	48.9 Å²	48.9	21%	0.214	26%	0.257	C	S	.	.	S	Bend	cis	-69	149.1	-0.3	28.9	-34.6	0	0	0	113.3	V498 I502 F580 T581	V498-P500 CarbonylContact O-C 2.96Å; P500-I502 PolarHBondContact O-N 3.24Å; P500-F580 HydrophobicContact CB-CD1 4.23Å; P500-F580 HydrophobicContact CB-CE1 3.48Å; P500-F580 VanDerWaalsContact CB-CE1 3.48Å; P500-F580 HydrophobicContact CB-CZ 3.7Å; P500-F580 HydrophobicContact CG-CE1 4.22Å; P500-T581 HydrophobicContact CB-CG2 4.29Å
501	P	83.3	Confident	91	Very high	68 Å²	68	49.3 Å²	49.3	44%	0.442	26%	0.258	S	S	.	.			trans	-67.4	130.7	-175.8	27.2	-34	0	0	0	111.9	V498 F580 T581	V498-P501 VanDerWaalsContact O-CA 3.25Å; V498-P501 WeakPolarHBondContact O-CA 3.49Å; P501-F580 HydrophobicContact CG-CE2 4.44Å; P501-F580 HydrophobicContact CG-CZ 4.34Å; P501-T581 VanDerWaalsContact CD-CG2 3.45Å; P501-T581 HydrophobicContact CG-CG2 4.22Å
502	I	79.9	Confident	90.7	Very high	84 Å²	84	48 Å²	48	43%	0.431	25%	0.251	S	S	.	.			trans	-121.7	115.1	176	-60	172.1	0	0	0	107.9	V498 P500 M504 Q505	V498-I502 HydrophobicContact CG1-CB 4.29Å; P500-I502 PolarHBondContact O-N 3.24Å; I502-M504 PolarHBondContact O-N 3.06Å; I502-Q505 WeakPolarHBondContact O-CB 3.41Å; I502-Q505 WeakPolarHBondContact O-CG 3.49Å; I502-Q505 PolarHBondContact O-N 3.48Å
503	N	80	Confident	90.1	Very high	146 Å²	146	52.7 Å²	52.7	78%	0.781	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.6	38	174.1	-66.2	-16	0	0	0	115.6	Q505	N503-Q505 PolarHBondContact O-N 3.06Å; N503-Q505 VanDerWaalsContact O-N 3.17Å
504	M	76.3	Confident	89.2	Confident	191 Å²	191	56.7 Å²	56.7	94%	0.941	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	22.8	-175.3	-55	-178.3	-69.8	0	0	114.6	I502	I502-M504 PolarHBondContact O-N 3.06Å
505	Q	88.6	Confident	87.4	Confident	56 Å²	56	57.6 Å²	57.6	26%	0.262	30%	0.302	S	S	.	.			trans	-65.9	142.6	177.7	-72.4	177.8	5.1	0	0	111.4	V498 I502 N503 D509	V498-Q505 HydrophobicContact CG1-CB 4.22Å; V498-Q505 PolarHBondContact N-O 3.03Å; I502-Q505 WeakPolarHBondContact O-CB 3.41Å; I502-Q505 WeakPolarHBondContact O-CG 3.49Å; I502-Q505 PolarHBondContact O-N 3.48Å; N503-Q505 PolarHBondContact O-N 3.06Å; N503-Q505 VanDerWaalsContact O-N 3.17Å; Q505-D509 HydrophobicContact CB-CB 4.11Å; Q505-D509 HydrophobicContact CG-CB 4.3Å
506	S	94.2	Very high	85.5	Confident	16 Å²	16	64.1 Å²	64.1	11%	0.112	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-76.7	161	167.6	68.2	0	0	0	0	110.2	K494 V496 Y508 D509 E510	K494-S506 WeakPolarHBondContact O-CB 3.38Å; V496-S506 CarbonylContact O-C 3.23Å; V496-S506 WeakPolarHBondContact O-CA 3.47Å; S506-Y508 PolarHBondContact O-N 3.05Å; S506-D509 WeakPolarHBondContact CB-OD2 3.3Å; S506-D509 PolarHBondContact N-OD2 3.32Å; S506-D509 WeakPolarHBondContact O-CB 3.49Å; S506-D509 PolarHBondContact O-N 3.32Å; S506-D509 PolarHBondContact OG-N 3.03Å; S506-D509 PolarHBondContact OG-OD2 3.06Å; S506-E510 PolarHBondContact O-N 2.98Å
507	F	95.6	Very high	83.5	Confident	1 Å²	1	65.8 Å²	65.8	0%	0.004	34%	0.344	C	S	.	.	H	α-helix	trans	-61.8	-31	172.6	-178.1	-128.7	0	0	0	112	F477 A493 V496 D509 E510 W511 F549 L589 L593	F477-F507 HydrophobicContact CB-CZ 3.96Å; F477-F507 HydrophobicContact CD1-CE1 4.16Å; F477-F507 AromaticContact CD1-CZ 3.92Å; F477-F507 HydrophobicContact CD1-CZ 3.92Å; F477-F507 AromaticContact CD2-CE1 3.96Å; F477-F507 HydrophobicContact CD2-CE1 3.96Å; F477-F507 AromaticContact CD2-CZ 3.5Å; F477-F507 HydrophobicContact CD2-CZ 3.5Å; F477-F507 VanDerWaalsContact CD2-CZ 3.5Å; F477-F507 HydrophobicContact CE1-CE1 4.03Å; F477-F507 HydrophobicContact CE1-CZ 4.25Å; F477-F507 AromaticContact CE2-CE1 3.8Å; F477-F507 HydrophobicContact CE2-CE1 3.8Å; F477-F507 AromaticContact CE2-CZ 3.86Å; F477-F507 HydrophobicContact CE2-CZ 3.86Å; F477-F507 HydrophobicContact CG-CE1 4.11Å; F477-F507 AromaticContact CG-CZ 3.51Å; F477-F507 HydrophobicContact CG-CZ 3.51Å; F477-F507 AromaticContact CZ-CE1 3.83Å; F477-F507 HydrophobicContact CZ-CE1 3.83Å; F477-F507 HydrophobicContact CZ-CZ 4.21Å; A493-F507 HydrophobicContact CB-CD1 3.92Å; A493-F507 PolarHBondContact O-N 3.42Å; V496-F507 PolarHBondContact O-N 3.02Å; F507-D509 VanDerWaalsContact C-N 3.27Å; F507-D509 PolarHBondContact O-N 3.08Å; F507-E510 HydrophobicContact CD2-CB 4.38Å; F507-E510 WeakPolarHBondContact CD2-OE2 3.42Å; F507-E510 WeakPolarHBondContact CE2-OE2 3.38Å; F507-E510 PolarHBondContact O-N 3.43Å; F507-W511 VanDerWaalsContact O-CB 3.31Å; F507-W511 WeakPolarHBondContact O-CB 3.43Å; F507-W511 PolarHBondContact O-N 3.27Å; F507-F549 HydrophobicContact CE2-CE1 4.33Å; F507-F549 AromaticContact CE2-CZ 3.7Å; F507-F549 HydrophobicContact CE2-CZ 3.7Å; F507-F549 HydrophobicContact CZ-CE1 4.46Å; F507-F549 HydrophobicContact CZ-CE2 4.38Å; F507-F549 AromaticContact CZ-CZ 3.76Å; F507-F549 HydrophobicContact CZ-CZ 3.76Å; F507-L589 HydrophobicContact CB-CD1 4.1Å; F507-L589 HydrophobicContact CD2-CD1 4.2Å; F507-L589 HydrophobicContact CD2-CD2 3.7Å; F507-L589 HydrophobicContact CD2-CG 4.29Å; F507-L589 HydrophobicContact CE2-CD2 3.78Å; F507-L589 HydrophobicContact CG-CD1 4.07Å; F507-L589 HydrophobicContact CG-CD2 4.35Å; F507-L589 HydrophobicContact CG-CG 4.47Å; F507-L589 HydrophobicContact CZ-CD2 4.47Å; F507-L593 HydrophobicContact CD1-CD1 4.42Å; F507-L593 HydrophobicContact CD1-CD2 4.24Å; F507-L593 HydrophobicContact CE1-CD2 3.91Å
508	Y	94.6	Very high	81.9	Confident	29 Å²	29	70.2 Å²	70.2	11%	0.114	36%	0.364	C	S	.	.	H	α-helix	trans	-57.2	-40.4	171	173.9	-92.5	0	0	0	112.4	I490 A493 K494 S506 W511 L512 P522	I490-Y508 HydrophobicContact CG1-CE2 4.47Å; I490-Y508 HydrophobicContact CG2-CD2 3.81Å; I490-Y508 HydrophobicContact CG2-CE2 3.7Å; A493-Y508 PolarHBondContact O-N 3.4Å; K494-Y508 HydrophobicContact CD-CG 4.47Å; K494-Y508 HydrophobicContact CG-CD1 4.02Å; K494-Y508 HydrophobicContact CG-CD2 4.07Å; K494-Y508 HydrophobicContact CG-CG 3.61Å; S506-Y508 PolarHBondContact O-N 3.05Å; Y508-W511 PolarHBondContact O-N 2.7Å; Y508-L512 HydrophobicContact CE1-CD2 4.1Å; Y508-L512 VanDerWaalsContact O-CB 3.27Å; Y508-L512 WeakPolarHBondContact O-CB 3.49Å; Y508-L512 PolarHBondContact O-N 3Å; Y508-P522 HydrophobicContact CD2-CG 4.05Å; Y508-P522 HydrophobicContact CE2-CG 3.69Å
509	D	92.2	Very high	80.6	Confident	59 Å²	59	77.1 Å²	77.1	32%	0.316	39%	0.39	S	S	.	.	H	α-helix	trans	-68.6	-41.9	179.6	-56.9	-50.9	0	0	0	111.4	Q505 S506 F507 L512 N513	Q505-D509 HydrophobicContact CB-CB 4.11Å; Q505-D509 HydrophobicContact CG-CB 4.3Å; S506-D509 WeakPolarHBondContact CB-OD2 3.3Å; S506-D509 PolarHBondContact N-OD2 3.32Å; S506-D509 WeakPolarHBondContact O-CB 3.49Å; S506-D509 PolarHBondContact O-N 3.32Å; S506-D509 PolarHBondContact OG-N 3.03Å; S506-D509 PolarHBondContact OG-OD2 3.06Å; F507-D509 VanDerWaalsContact C-N 3.27Å; F507-D509 PolarHBondContact O-N 3.08Å; D509-L512 PolarHBondContact O-N 3.45Å; D509-N513 WeakPolarHBondContact O-CB 3.34Å; D509-N513 PolarHBondContact O-N 3.22Å; D509-N513 PolarHBondContact O-ND2 2.71Å
510	E	91.9	Very high	80.2	Confident	40 Å²	40	84.2 Å²	84.2	19%	0.187	43%	0.428	C	S	.	.	H	α-helix	trans	-60.1	-48	172.8	-178.2	-178.3	-149.4	0	0	110.9	V498 S506 F507 L512 N513 N514 R586	V498-E510 HydrophobicContact CG2-CB 4.27Å; V498-E510 HydrophobicContact CG2-CG 4.41Å; V498-E510 WeakPolarHBondContact CG2-OE2 3.39Å; S506-E510 PolarHBondContact O-N 2.98Å; F507-E510 HydrophobicContact CD2-CB 4.38Å; F507-E510 WeakPolarHBondContact CD2-OE2 3.42Å; F507-E510 WeakPolarHBondContact CE2-OE2 3.38Å; F507-E510 PolarHBondContact O-N 3.43Å; E510-L512 VanDerWaalsContact C-N 3.34Å; E510-L512 PolarHBondContact O-N 2.86Å; E510-N513 PolarHBondContact O-N 2.92Å; E510-N513 VanDerWaalsContact O-N 3.15Å; E510-N514 PolarHBondContact O-N 3.08Å; E510-R586 IonicContact OE1-CZ 3.21Å; E510-R586 IonicContact OE1-NH1 2.66Å; E510-R586 PolarHBondContact OE1-NH1 2.89Å; E510-R586 VanDerWaalsContact OE1-NH1 3.11Å; E510-R586 IonicContact OE1-NH2 3.28Å; E510-R586 PolarHBondContact OE1-NH2 3.07Å; E510-R586 IonicContact OE2-CZ 3.81Å; E510-R586 IonicContact OE2-NH1 3.75Å; E510-R586 PolarHBondContact OE2-NH1 2.86Å; E510-R586 IonicContact OE2-NH2 3.89Å
511	W	92.3	Very high	80.2	Confident	17 Å²	17	86.3 Å²	86.3	6%	0.064	44%	0.435	C	S	.	.	H	α-helix	trans	-62.8	-40.6	-179.4	-177.3	19.4	0	0	0	112.1	F477 A479 L489 I490 A493 F507 Y508 N513 P522 I524	F477-W511 AromaticContact CD1-CD1 3.72Å; F477-W511 AromaticContact CD1-CD2 3.69Å; F477-W511 HydrophobicContact CD1-CD2 3.69Å; F477-W511 AromaticContact CD1-CE2 3.59Å; F477-W511 HydrophobicContact CD1-CE3 4.34Å; F477-W511 AromaticContact CD1-CG 3.81Å; F477-W511 HydrophobicContact CD1-CG 3.81Å; F477-W511 HydrophobicContact CD1-CZ2 4.16Å; F477-W511 AromaticContact CD1-NE1 3.6Å; F477-W511 AromaticContact CE1-CD2 3.77Å; F477-W511 HydrophobicContact CE1-CD2 3.77Å; F477-W511 AromaticContact CE1-CE2 3.68Å; F477-W511 AromaticContact CE1-CE3 3.98Å; F477-W511 HydrophobicContact CE1-CE3 3.98Å; F477-W511 HydrophobicContact CE1-CG 4.35Å; F477-W511 HydrophobicContact CE1-CH2 4.04Å; F477-W511 AromaticContact CE1-CZ2 3.84Å; F477-W511 HydrophobicContact CE1-CZ2 3.84Å; F477-W511 HydrophobicContact CE1-CZ3 4.11Å; A479-W511 HydrophobicContact CB-CH2 3.82Å; A479-W511 HydrophobicContact CB-CZ2 3.67Å; L489-W511 HydrophobicContact CD2-CH2 4Å; L489-W511 HydrophobicContact CD2-CZ3 4.37Å; L489-W511 HydrophobicContact CG-CH2 4.39Å; L489-W511 HydrophobicContact CG-CZ3 4.3Å; I490-W511 HydrophobicContact CG1-CZ3 4.18Å; A493-W511 HydrophobicContact CB-CE3 4.36Å; F507-W511 VanDerWaalsContact O-CB 3.31Å; F507-W511 WeakPolarHBondContact O-CB 3.43Å; F507-W511 PolarHBondContact O-N 3.27Å; Y508-W511 PolarHBondContact O-N 2.7Å; W511-N513 VanDerWaalsContact C-N 3.31Å; W511-N513 PolarHBondContact O-N 3.24Å; W511-P522 HydrophobicContact CD2-CB 3.41Å; W511-P522 VanDerWaalsContact CD2-CB 3.41Å; W511-P522 HydrophobicContact CD2-CG 3.77Å; W511-P522 HydrophobicContact CE3-CB 3.99Å; W511-P522 HydrophobicContact CE3-CG 3.92Å; W511-P522 HydrophobicContact CG-CB 3.68Å; W511-P522 HydrophobicContact CG-CG 4.06Å; W511-P522 HydrophobicContact CH2-CB 4.35Å; W511-P522 HydrophobicContact CZ2-CB 3.81Å; W511-P522 HydrophobicContact CZ3-CB 4.42Å; W511-P522 HydrophobicContact CZ3-CG 4.43Å; W511-I524 HydrophobicContact CH2-CD1 3.39Å; W511-I524 HydrophobicContact CZ2-CD1 3.53Å; W511-I524 HydrophobicContact CZ3-CD1 4.46Å
512	L	89.8	Confident	80.4	Confident	37 Å²	37	83.4 Å²	83.4	19%	0.194	42%	0.416	C	S	.	.	H	α-helix	trans	-65.3	-34.5	175.5	-177.1	64	0	0	0	112.3	Y508 D509 E510 K515 P522	Y508-L512 HydrophobicContact CE1-CD2 4.1Å; Y508-L512 VanDerWaalsContact O-CB 3.27Å; Y508-L512 WeakPolarHBondContact O-CB 3.49Å; Y508-L512 PolarHBondContact O-N 3Å; D509-L512 PolarHBondContact O-N 3.45Å; E510-L512 VanDerWaalsContact C-N 3.34Å; E510-L512 PolarHBondContact O-N 2.86Å; L512-K515 WeakPolarHBondContact O-CG 3.46Å; L512-P522 HydrophobicContact CB-CG 4.22Å; L512-P522 HydrophobicContact CD1-CG 4.3Å
513	N	84.7	Confident	80.7	Confident	99 Å²	99	82.5 Å²	82.5	53%	0.529	41%	0.414	S	S	.	.	H	α-helix	trans	-78.6	-14.3	-176.3	-74.9	-28.5	0	0	0	114.3	D509 E510 W511 K515	D509-N513 WeakPolarHBondContact O-CB 3.34Å; D509-N513 PolarHBondContact O-N 3.22Å; D509-N513 PolarHBondContact O-ND2 2.71Å; E510-N513 PolarHBondContact O-N 2.92Å; E510-N513 VanDerWaalsContact O-N 3.15Å; W511-N513 VanDerWaalsContact C-N 3.31Å; W511-N513 PolarHBondContact O-N 3.24Å; N513-K515 PolarHBondContact O-N 2.81Å
514	N	76.6	Confident	81.2	Confident	84 Å²	84	77.7 Å²	77.7	45%	0.449	39%	0.388	S	S	.	.	S	Bend	trans	-74.7	42.4	178.1	-157	-7.9	0	0	0	112.7	K475 E510 M516	K475-N514 PolarHBondContact O-ND2 3.26Å; E510-N514 PolarHBondContact O-N 3.08Å; N514-M516 PolarHBondContact O-N 2.8Å
515	K	58	Low	81.9	Confident	121 Å²	121	70.9 Å²	70.9	53%	0.526	36%	0.357	S	S	.	.			trans	-65.8	114.2	-160.9	-70.4	-168.1	176	-169.5	0	113.7	L512 N513	L512-K515 WeakPolarHBondContact O-CG 3.46Å; N513-K515 PolarHBondContact O-N 2.81Å
516	M	55.6	Low	81.9	Confident	184 Å²	184	70.8 Å²	70.8	91%	0.906	36%	0.363	S	S	*	.	S	Bend	trans	-92.4	5.8	147.9	-85.8	179.9	59.8	0	0	113.1	N514	N514-M516 PolarHBondContact O-N 2.8Å
517	S	54.6	Low	81.7	Confident	37 Å²	37	70.1 Å²	70.1	26%	0.259	36%	0.358	S	S	.	.	S	Bend	trans	-160.2	153.7	-179.6	64.5	0	0	0	0	115.1	R519	S517-R519 PolarHBondContact O-N 2.97Å; S517-R519 WeakPolarHBondContact OG-CD 3.33Å; S517-R519 VanDerWaalsContact OG-CG 3.31Å; S517-R519 WeakPolarHBondContact OG-CG 3.44Å
518	D	60.2	Low	81.4	Confident	161 Å²	161	70.2 Å²	70.2	86%	0.861	36%	0.359	S	S	*	.			trans	-71.9	28.5	175	-70.2	-35.2	0	0	0	114.2
519	R	65	Low	81.1	Confident	151 Å²	151	68.8 Å²	68.8	57%	0.57	35%	0.354	S	S	*	.			trans	-79	149.5	-176.5	-67.5	-180	-174.6	-163.9	2.8	111.6	S517 E521	S517-R519 PolarHBondContact O-N 2.97Å; S517-R519 WeakPolarHBondContact OG-CD 3.33Å; S517-R519 VanDerWaalsContact OG-CG 3.31Å; S517-R519 WeakPolarHBondContact OG-CG 3.44Å; R519-E521 VanDerWaalsContact CB-O 3.29Å; R519-E521 WeakPolarHBondContact CB-O 3.24Å
520	N	83.5	Confident	80.9	Confident	154 Å²	154	67.5 Å²	67.5	82%	0.824	35%	0.354	S	S	*	.	S	Bend	trans	-79.2	-5.7	171.9	-69.3	-11.4	0	0	0	113
521	E	86.8	Confident	81	Confident	78 Å²	78	65.6 Å²	65.6	36%	0.364	35%	0.345	S	S	.	.	S	Bend	trans	-133.9	155.6	177.2	-73.8	-172.7	-158.1	0	0	110.3	R519 R613	R519-E521 VanDerWaalsContact CB-O 3.29Å; R519-E521 WeakPolarHBondContact CB-O 3.24Å; E521-R613 IonicContact OE1-NH2 3.57Å; E521-R613 PolarHBondContact OE1-NH2 3.13Å; E521-R613 IonicContact OE2-CZ 2.79Å; E521-R613 IonicContact OE2-NH1 2.69Å; E521-R613 PolarHBondContact OE2-NH1 3.49Å; E521-R613 IonicContact OE2-NH2 3.68Å; E521-R613 PolarHBondContact OE2-NH2 2.86Å
522	P	87.3	Confident	81.2	Confident	7 Å²	7	64.8 Å²	64.8	5%	0.045	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-59.5	156.6	175.7	-20.9	32.3	0	0	0	113.1	Y508 W511 L512 I524	Y508-P522 HydrophobicContact CD2-CG 4.05Å; Y508-P522 HydrophobicContact CE2-CG 3.69Å; W511-P522 HydrophobicContact CD2-CB 3.41Å; W511-P522 VanDerWaalsContact CD2-CB 3.41Å; W511-P522 HydrophobicContact CD2-CG 3.77Å; W511-P522 HydrophobicContact CE3-CB 3.99Å; W511-P522 HydrophobicContact CE3-CG 3.92Å; W511-P522 HydrophobicContact CG-CB 3.68Å; W511-P522 HydrophobicContact CG-CG 4.06Å; W511-P522 HydrophobicContact CH2-CB 4.35Å; W511-P522 HydrophobicContact CZ2-CB 3.81Å; W511-P522 HydrophobicContact CZ3-CB 4.42Å; W511-P522 HydrophobicContact CZ3-CG 4.43Å; L512-P522 HydrophobicContact CB-CG 4.22Å; L512-P522 HydrophobicContact CD1-CG 4.3Å; P522-I524 PolarHBondContact O-N 3.45Å
523	V	87.8	Confident	81.5	Confident	64 Å²	64	63 Å²	63	39%	0.388	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-70.2	117.8	173.7	178.4	0	0	0	0	109.2
524	I	89.7	Confident	82	Confident	46 Å²	46	58.7 Å²	58.7	24%	0.236	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-92	121.6	176.1	-51.5	-55.5	0	0	0	109.8	T481 I486 W511 P522	T481-I524 HydrophobicContact CG2-CG2 3.8Å; I486-I524 HydrophobicContact CD1-CG2 3.89Å; I486-I524 HydrophobicContact CG1-CG2 3.91Å; I486-I524 HydrophobicContact CG2-CD1 3.75Å; I486-I524 HydrophobicContact CG2-CG1 3.73Å; I486-I524 HydrophobicContact CG2-CG2 4.29Å; W511-I524 HydrophobicContact CH2-CD1 3.39Å; W511-I524 HydrophobicContact CZ2-CD1 3.53Å; W511-I524 HydrophobicContact CZ3-CD1 4.46Å; P522-I524 PolarHBondContact O-N 3.45Å
525	T	90.3	Very high	82.8	Confident	47 Å²	47	55 Å²	55	29%	0.288	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-95.1	142.5	172.4	53.1	0	0	0	0	110.6	S478 A479 R480 T481	S478-T525 PolarHBondContact OG-OG1 2.77Å; A479-T525 PolarHBondContact N-OG1 3.03Å; R480-T525 VanDerWaalsContact CA-O 3.27Å; R480-T525 WeakPolarHBondContact CA-O 3.17Å; R480-T525 PolarHBondContact N-O 3.27Å; R480-T525 PolarHBondContact N-OG1 3.2Å; T481-T525 PolarHBondContact N-O 3.38Å
526	S	89.7	Confident	84.6	Confident	54 Å²	54	49.2 Å²	49.2	38%	0.378	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-76.7	159.5	178.4	-52	0	0	0	0	112.3	G528 S712	S526-G528 PolarHBondContact O-N 3.29Å; S526-S712 VanDerWaalsContact CB-CB 3.42Å
527	L	90.4	Very high	86.5	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.01	22%	0.222	C	C	.	.			trans	-54.4	-39.8	-169.5	-173.1	61.8	0	0	0	116.4	R480 H533 A537 Y538	R480-L527 VanDerWaalsContact CZ-O 3.3Å; R480-L527 PolarHBondContact NE-O 2.76Å; R480-L527 PolarHBondContact NH2-O 2.93Å; R480-L527 VanDerWaalsContact O-CD1 3.23Å; R480-L527 WeakPolarHBondContact O-CD1 3.09Å; L527-H533 VanDerWaalsContact CD2-CD2 3.48Å; L527-H533 WeakPolarHBondContact CD2-CD2 3.44Å; L527-H533 VanDerWaalsContact CG-CD2 3.49Å; L527-H533 WeakPolarHBondContact CG-CD2 3.39Å; L527-A537 HydrophobicContact CD2-CB 3.64Å; L527-Y538 HydrophobicContact CD2-CE1 4.43Å
528	G	89	Confident	88.2	Confident	3 Å²	3	38.8 Å²	38.8	3%	0.031	21%	0.21	C	C	.	.			trans	75.3	-165.5	178.1	0	0	0	0	0	114.3	S526 H533 Y538 Y710	S526-G528 PolarHBondContact O-N 3.29Å; G528-H533 PolarHBondContact O-NE2 2.86Å; G528-Y538 WeakPolarHBondContact O-CE2 3.21Å; G528-Y538 PolarHBondContact O-OH 2.9Å; G528-Y710 WeakPolarHBondContact CA-O 3.37Å
529	G	88.5	Confident	89.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-125.9	-171.4	-178.4	0	0	0	0	0	113.7	R480 T707 Y710	R480-G529 PolarHBondContact NH2-O 2.69Å; R480-G529 VanDerWaalsContact NH2-O 3.12Å; G529-T707 WeakPolarHBondContact CA-OG1 3.3Å; G529-Y710 PolarHBondContact N-O 2.9Å; G529-Y710 VanDerWaalsContact N-O 3.09Å
530	G	87.1	Confident	91	Very high	32 Å²	32	25 Å²	25	33%	0.33	15%	0.146	S	C	.	.	S	Bend	trans	69.2	45.7	172.4	0	0	0	0	0	115.4	I534	G530-I534 VanDerWaalsContact N-CD1 3.35Å
531	S	94.4	Very high	91.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-165.5	179.1	170.2	-168.7	0	0	0	0	110.8	E439 N466 D468 H533 I534	E439-S531 WeakPolarHBondContact OE1-CA 3.34Å; N466-S531 WeakPolarHBondContact ND2-CB 3.48Å; N466-S531 PolarHBondContact ND2-OG 3.33Å; D468-S531 VanDerWaalsContact CB-OG 3.25Å; D468-S531 WeakPolarHBondContact CB-OG 3.49Å; D468-S531 VanDerWaalsContact OD2-CB 3.24Å; D468-S531 WeakPolarHBondContact OD2-CB 3.16Å; D468-S531 PolarHBondContact OD2-OG 2.83Å; S531-H533 PolarHBondContact O-N 3.41Å; S531-H533 VanDerWaalsContact O-N 3.07Å; S531-I534 WeakPolarHBondContact O-CG1 3.28Å; S531-I534 PolarHBondContact O-N 3.27Å; S531-I534 VanDerWaalsContact O-N 3.14Å
532	D	96.6	Very high	92	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-13.9	-174	-69.5	-55.8	0	0	0	115.6	H392 W436 S446 Y464 I534 P535 F536	H392-D532 IonicContact CD2-OD2 3.31Å; W436-D532 VanDerWaalsContact CD1-CG 3.42Å; W436-D532 VanDerWaalsContact CD1-OD2 3.27Å; S446-D532 WeakPolarHBondContact CB-OD1 3.47Å; S446-D532 PolarHBondContact OG-OD1 2.7Å; Y464-D532 WeakPolarHBondContact OH-CB 3.21Å; D532-I534 PolarHBondContact O-N 2.76Å; D532-P535 VanDerWaalsContact O-CD 3.27Å; D532-P535 WeakPolarHBondContact O-CD 3.49Å; D532-P535 WeakPolarHBondContact O-CG 3.42Å; D532-F536 VanDerWaalsContact O-CD2 3.24Å; D532-F536 WeakPolarHBondContact O-CD2 3.37Å
533	H	96.1	Very high	92.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-69.7	-18.8	173.5	66	-83.7	0	0	0	113.5	Y464 N466 L527 G528 S531 F536 A537 Y546	Y464-H533 HydrophobicContact CD1-CB 3.91Å; Y464-H533 VanDerWaalsContact CE1-CA 3.49Å; Y464-H533 HydrophobicContact CE1-CB 3.81Å; N466-H533 HydrophobicContact CB-CB 4.1Å; L527-H533 VanDerWaalsContact CD2-CD2 3.48Å; L527-H533 WeakPolarHBondContact CD2-CD2 3.44Å; L527-H533 VanDerWaalsContact CG-CD2 3.49Å; L527-H533 WeakPolarHBondContact CG-CD2 3.39Å; G528-H533 PolarHBondContact O-NE2 2.86Å; S531-H533 PolarHBondContact O-N 3.41Å; S531-H533 VanDerWaalsContact O-N 3.07Å; H533-F536 PolarHBondContact O-N 3.13Å; H533-A537 WeakPolarHBondContact O-CB 3.02Å; H533-A537 PolarHBondContact O-N 3.04Å; H533-Y546 AromaticContact CE1-CD1 3.98Å; H533-Y546 AromaticContact ND1-CD1 3.75Å
534	I	94.2	Very high	93	Very high	7 Å²	7	10.9 Å²	10.9	4%	0.036	7%	0.071	C	C	.	.	H	α-helix	trans	-54.7	-55.5	-176.7	-73.5	168.4	0	0	0	112.7	G278 G530 S531 D532 F536 A537 Y538 L700	G278-I534 WeakPolarHBondContact O-CG2 3.31Å; G530-I534 VanDerWaalsContact N-CD1 3.35Å; S531-I534 WeakPolarHBondContact O-CG1 3.28Å; S531-I534 PolarHBondContact O-N 3.27Å; S531-I534 VanDerWaalsContact O-N 3.14Å; D532-I534 PolarHBondContact O-N 2.76Å; I534-F536 PolarHBondContact O-N 2.92Å; I534-A537 PolarHBondContact O-N 3.16Å; I534-Y538 HydrophobicContact CB-CD2 4.27Å; I534-Y538 HydrophobicContact CG1-CD2 3.97Å; I534-Y538 HydrophobicContact CG1-CE2 4.12Å; I534-Y538 HydrophobicContact CG2-CD2 4.16Å; I534-Y538 WeakPolarHBondContact O-CB 3.42Å; I534-Y538 PolarHBondContact O-N 3.48Å; I534-L700 HydrophobicContact CG2-CD2 3.64Å
535	P	93.7	Very high	93.4	Very high	6 Å²	6	8.9 Å²	8.9	4%	0.039	6%	0.061	C	C	.	.	I	π-helix	trans	-64.1	-26.6	-179.5	25.7	-37.2	0	0	0	112.8	V443 V450 D532 R539	V443-P535 HydrophobicContact CG1-CG 4.5Å; V450-P535 HydrophobicContact CB-CB 3.95Å; V450-P535 HydrophobicContact CG1-CB 4.09Å; V450-P535 HydrophobicContact CG2-CB 3.87Å; V450-P535 HydrophobicContact CG2-CG 4.28Å; D532-P535 VanDerWaalsContact O-CD 3.27Å; D532-P535 WeakPolarHBondContact O-CD 3.49Å; D532-P535 WeakPolarHBondContact O-CG 3.42Å; P535-R539 VanDerWaalsContact O-CB 3.31Å; P535-R539 WeakPolarHBondContact O-CB 3.33Å
536	F	95.8	Very high	93.6	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	5%	0.048	C	C	.	.	I	π-helix	trans	-75.9	-56.2	174.5	-63.1	-92.6	0	0	0	111.8	I388 W436 F449 V450 L457 Y464 D532 H533 I534 L540 G541 I542	I388-F536 HydrophobicContact CD1-CE1 4.19Å; W436-F536 HydrophobicContact CH2-CZ 4.49Å; W436-F536 HydrophobicContact CZ2-CE2 4.45Å; W436-F536 HydrophobicContact CZ2-CZ 4.03Å; F449-F536 HydrophobicContact CD1-CE1 4.07Å; F449-F536 AromaticContact CD1-CZ 3.7Å; F449-F536 HydrophobicContact CD1-CZ 3.7Å; F449-F536 AromaticContact CE1-CE1 3.93Å; F449-F536 HydrophobicContact CE1-CE1 3.93Å; F449-F536 AromaticContact CE1-CZ 3.93Å; F449-F536 HydrophobicContact CE1-CZ 3.93Å; V450-F536 HydrophobicContact CG2-CD1 3.93Å; V450-F536 HydrophobicContact CG2-CD2 4.06Å; V450-F536 HydrophobicContact CG2-CE1 3.77Å; V450-F536 HydrophobicContact CG2-CE2 3.91Å; V450-F536 HydrophobicContact CG2-CG 4.08Å; V450-F536 HydrophobicContact CG2-CZ 3.76Å; L457-F536 HydrophobicContact CD1-CE1 4.31Å; Y464-F536 HydrophobicContact CD1-CB 4.19Å; Y464-F536 AromaticContact CD1-CD2 3.89Å; Y464-F536 HydrophobicContact CD1-CD2 3.89Å; Y464-F536 HydrophobicContact CD1-CE2 4.48Å; Y464-F536 HydrophobicContact CD1-CG 4.06Å; Y464-F536 AromaticContact CD2-CD1 3.88Å; Y464-F536 HydrophobicContact CD2-CD1 3.88Å; Y464-F536 AromaticContact CD2-CD2 3.83Å; Y464-F536 HydrophobicContact CD2-CD2 3.83Å; Y464-F536 AromaticContact CD2-CE1 3.82Å; Y464-F536 HydrophobicContact CD2-CE1 3.82Å; Y464-F536 AromaticContact CD2-CE2 3.77Å; Y464-F536 HydrophobicContact CD2-CE2 3.77Å; Y464-F536 AromaticContact CD2-CG 3.88Å; Y464-F536 HydrophobicContact CD2-CG 3.88Å; Y464-F536 AromaticContact CD2-CZ 3.76Å; Y464-F536 HydrophobicContact CD2-CZ 3.76Å; Y464-F536 AromaticContact CE1-CD2 3.94Å; Y464-F536 HydrophobicContact CE1-CD2 3.94Å; Y464-F536 HydrophobicContact CE1-CE2 4.24Å; Y464-F536 AromaticContact CE2-CD2 3.9Å; Y464-F536 HydrophobicContact CE2-CD2 3.9Å; Y464-F536 HydrophobicContact CE2-CE1 4.25Å; Y464-F536 AromaticContact CE2-CE2 3.51Å; Y464-F536 HydrophobicContact CE2-CE2 3.51Å; Y464-F536 HydrophobicContact CE2-CG 4.42Å; Y464-F536 AromaticContact CE2-CZ 3.7Å; Y464-F536 HydrophobicContact CE2-CZ 3.7Å; Y464-F536 HydrophobicContact CG-CB 4.05Å; Y464-F536 HydrophobicContact CG-CD1 4Å; Y464-F536 AromaticContact CG-CD2 3.84Å; Y464-F536 HydrophobicContact CG-CD2 3.84Å; Y464-F536 HydrophobicContact CG-CE1 4.41Å; Y464-F536 HydrophobicContact CG-CE2 4.26Å; Y464-F536 AromaticContact CG-CG 3.7Å; Y464-F536 HydrophobicContact CG-CG 3.7Å; Y464-F536 AromaticContact CZ-CD2 3.96Å; Y464-F536 AromaticContact CZ-CE2 3.77Å; D532-F536 VanDerWaalsContact O-CD2 3.24Å; D532-F536 WeakPolarHBondContact O-CD2 3.37Å; H533-F536 PolarHBondContact O-N 3.13Å; I534-F536 PolarHBondContact O-N 2.92Å; F536-L540 CarbonylContact O-C 3.41Å; F536-L540 WeakPolarHBondContact O-CB 3.39Å; F536-L540 PolarHBondContact O-N 2.84Å; F536-G541 PolarHBondContact O-N 2.61Å; F536-I542 HydrophobicContact CB-CB 4.19Å; F536-I542 HydrophobicContact CB-CD1 4.35Å; F536-I542 HydrophobicContact CB-CG2 4.5Å; F536-I542 HydrophobicContact CD1-CD1 3.89Å; F536-I542 PolarHBondContact O-N 3.16Å
537	A	95.1	Very high	94	Very high	1 Å²	1	4.3 Å²	4.3	1%	0.008	3%	0.03	C	C	.	.	I	π-helix	trans	-75.1	-46	-170.7	0	0	0	0	0	113.2	L527 H533 I534 G541 I542 N702	L527-A537 HydrophobicContact CD2-CB 3.64Å; H533-A537 WeakPolarHBondContact O-CB 3.02Å; H533-A537 PolarHBondContact O-N 3.04Å; I534-A537 PolarHBondContact O-N 3.16Å; A537-G541 VanDerWaalsContact O-CA 3.29Å; A537-G541 WeakPolarHBondContact O-CA 3.24Å; A537-G541 PolarHBondContact O-N 3.14Å; A537-I542 VanDerWaalsContact CA-O 3.3Å; A537-I542 WeakPolarHBondContact CA-O 3.32Å; A537-N702 PolarHBondContact O-ND2 3.07Å
538	Y	92.2	Very high	94.3	Very high	1 Å²	1	4.3 Å²	4.3	0%	0.004	3%	0.03	C	C	.	.	I	π-helix	trans	-97.8	-18.8	-168	-57.4	-35.4	0	0	0	113.4	L527 G528 I534 L700 K701 N702 Q705 T707	L527-Y538 HydrophobicContact CD2-CE1 4.43Å; G528-Y538 WeakPolarHBondContact O-CE2 3.21Å; G528-Y538 PolarHBondContact O-OH 2.9Å; I534-Y538 HydrophobicContact CB-CD2 4.27Å; I534-Y538 HydrophobicContact CG1-CD2 3.97Å; I534-Y538 HydrophobicContact CG1-CE2 4.12Å; I534-Y538 HydrophobicContact CG2-CD2 4.16Å; I534-Y538 WeakPolarHBondContact O-CB 3.42Å; I534-Y538 PolarHBondContact O-N 3.48Å; Y538-L700 CarbonylContact O-C 3.51Å; Y538-L700 WeakPolarHBondContact O-CA 3.27Å; Y538-K701 PolarHBondContact O-N 3.49Å; Y538-N702 WeakPolarHBondContact O-CB 3.44Å; Y538-N702 PolarHBondContact O-N 3.45Å; Y538-Q705 WeakPolarHBondContact CD1-O 3.32Å; Y538-Q705 HydrophobicContact CE1-CB 4.16Å; Y538-T707 HydrophobicContact CD2-CG2 4.21Å; Y538-T707 HydrophobicContact CE2-CG2 3.96Å
539	R	90.5	Very high	94.6	Very high	23 Å²	23	4.2 Å²	4.2	9%	0.087	3%	0.029	C	C	.	.	I	π-helix	trans	-95.9	-48.4	171.7	-172.1	-170.7	174.7	87.9	-3.8	112.4	E454 P535 V690 K701	E454-R539 IonicContact OE1-NE 3.83Å; E454-R539 IonicContact OE1-NH2 2.62Å; E454-R539 IonicContact OE2-CZ 3.01Å; E454-R539 IonicContact OE2-NE 3.41Å; E454-R539 PolarHBondContact OE2-NE 3.03Å; E454-R539 IonicContact OE2-NH2 2.66Å; E454-R539 PolarHBondContact OE2-NH2 3.48Å; P535-R539 VanDerWaalsContact O-CB 3.31Å; P535-R539 WeakPolarHBondContact O-CB 3.33Å; R539-V690 WeakPolarHBondContact O-CG1 3.39Å; R539-K701 HydrophobicContact CG-CD 4.34Å
540	L	92.6	Very high	94.9	Very high	1 Å²	1	6 Å²	6	1%	0.005	4%	0.038	C	C	.	.	S	Bend	trans	-99.4	-8.7	-174.7	-57.4	-165.6	0	0	0	114.6	V450 E454 L457 L458 F536 I542 V690	V450-L540 HydrophobicContact CG1-CD1 3.73Å; V450-L540 HydrophobicContact CG1-CD2 4.27Å; V450-L540 HydrophobicContact CG1-CG 3.85Å; E454-L540 HydrophobicContact CG-CD2 3.66Å; L457-L540 HydrophobicContact CB-CD1 3.71Å; L457-L540 HydrophobicContact CD1-CD1 4.16Å; L458-L540 HydrophobicContact CD1-CD2 4.36Å; L458-L540 HydrophobicContact CD2-CB 3.98Å; L458-L540 HydrophobicContact CD2-CD2 4.14Å; L458-L540 HydrophobicContact CD2-CG 4.49Å; L458-L540 WeakPolarHBondContact CD2-O 2.99Å; L458-L540 HydrophobicContact CG-CD1 4.43Å; L458-L540 HydrophobicContact CG-CD2 4.08Å; F536-L540 CarbonylContact O-C 3.41Å; F536-L540 WeakPolarHBondContact O-CB 3.39Å; F536-L540 PolarHBondContact O-N 2.84Å; L540-I542 HydrophobicContact CB-CD1 3.84Å; L540-I542 HydrophobicContact CB-CG1 3.98Å; L540-I542 HydrophobicContact CD1-CD1 3.84Å; L540-I542 HydrophobicContact CG-CD1 4.44Å; L540-I542 PolarHBondContact O-N 3.25Å; L540-V690 VanDerWaalsContact C-CG2 3.42Å; L540-V690 WeakPolarHBondContact O-CG2 3.29Å
541	G	94.1	Very high	95.2	Very high	2 Å²	2	4.7 Å²	4.7	2%	0.021	2%	0.024	C	C	.	.			trans	67.6	26.9	-177	0	0	0	0	0	112.6	F536 A537 S686	F536-G541 PolarHBondContact O-N 2.61Å; A537-G541 VanDerWaalsContact O-CA 3.29Å; A537-G541 WeakPolarHBondContact O-CA 3.24Å; A537-G541 PolarHBondContact O-N 3.14Å; G541-S686 CarbonylContact O-C 3.4Å; G541-S686 WeakPolarHBondContact O-CB 3.48Å; G541-S686 PolarHBondContact O-OG 2.99Å
542	I	97.1	Very high	94.9	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.034	C	C	.	.			trans	-77.5	125.5	174.4	-66	163.2	0	0	0	107.7	L457 C461 F536 A537 L540 S544	L457-I542 HydrophobicContact CB-CD1 4.17Å; C461-I542 HydrophobicContact CB-CD1 3.73Å; C461-I542 HydrophobicContact CB-CG1 4.2Å; F536-I542 HydrophobicContact CB-CB 4.19Å; F536-I542 HydrophobicContact CB-CD1 4.35Å; F536-I542 HydrophobicContact CB-CG2 4.5Å; F536-I542 HydrophobicContact CD1-CD1 3.89Å; F536-I542 PolarHBondContact O-N 3.16Å; A537-I542 VanDerWaalsContact CA-O 3.3Å; A537-I542 WeakPolarHBondContact CA-O 3.32Å; L540-I542 HydrophobicContact CB-CD1 3.84Å; L540-I542 HydrophobicContact CB-CG1 3.98Å; L540-I542 HydrophobicContact CD1-CD1 3.84Å; L540-I542 HydrophobicContact CG-CD1 4.44Å; L540-I542 PolarHBondContact O-N 3.25Å; I542-S544 PolarHBondContact O-N 3.43Å; I542-S544 PolarHBondContact O-OG 3.11Å
543	P	97.3	Very high	94.4	Very high	3 Å²	3	10 Å²	10	2%	0.019	5%	0.052	C	C	.	.			trans	-59.3	130.4	177.1	-20.9	33.7	0	0	0	109.6	V462 V463 Y464 D482 L484 L485 S686	V462-P543 WeakPolarHBondContact O-CD 3.5Å; V463-P543 WeakPolarHBondContact CA-O 3.46Å; V463-P543 WeakPolarHBondContact CG2-O 3.36Å; Y464-P543 PolarHBondContact N-O 3.47Å; D482-P543 HydrophobicContact CB-CB 4.46Å; L484-P543 HydrophobicContact CB-CB 4.49Å; L484-P543 HydrophobicContact CD1-CB 4.49Å; L484-P543 HydrophobicContact CD1-CG 3.97Å; L485-P543 HydrophobicContact CD1-CB 4.01Å; L485-P543 HydrophobicContact CD2-CB 3.98Å; L485-P543 HydrophobicContact CG-CB 3.95Å; P543-S686 VanDerWaalsContact CD-OG 3.27Å; P543-S686 WeakPolarHBondContact CD-OG 3.49Å; P543-S686 WeakPolarHBondContact CG-OG 3.41Å
544	S	97.9	Very high	93.8	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.4	-176.2	-61.7	0	0	0	0	112.7	Y464 D482 L485 I542	Y464-S544 WeakPolarHBondContact O-CA 3.19Å; D482-S544 WeakPolarHBondContact CB-O 3.41Å; D482-S544 PolarHBondContact N-O 2.63Å; L485-S544 VanDerWaalsContact CD1-C 3.41Å; L485-S544 WeakPolarHBondContact CD1-O 3.09Å; I542-S544 PolarHBondContact O-N 3.43Å; I542-S544 PolarHBondContact O-OG 3.11Å
545	T	98.1	Very high	93.5	Very high	4 Å²	4	15.3 Å²	15.3	3%	0.025	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	148.2	173.9	-165.3	0	0	0	0	110.6	Y464 I465 N466 T481 L485 P547 L597	Y464-T545 PolarHBondContact O-N 3.11Å; Y464-T545 VanDerWaalsContact O-N 3.1Å; I465-T545 HydrophobicContact CB-CG2 4.35Å; I465-T545 HydrophobicContact CG1-CG2 4Å; I465-T545 HydrophobicContact CG2-CG2 4.05Å; N466-T545 PolarHBondContact N-O 3.39Å; T481-T545 VanDerWaalsContact CB-OG1 3.28Å; T481-T545 WeakPolarHBondContact CB-OG1 3.29Å; T481-T545 VanDerWaalsContact OG1-CB 3.29Å; T481-T545 WeakPolarHBondContact OG1-CB 3.5Å; T481-T545 PolarHBondContact OG1-OG1 2.87Å; L485-T545 HydrophobicContact CD1-CG2 4.38Å; T545-P547 HydrophobicContact CG2-CG 4.4Å; T545-L597 HydrophobicContact CG2-CD1 4.27Å
546	Y	95.8	Very high	93.2	Very high	6 Å²	6	19.5 Å²	19.5	2%	0.024	11%	0.112	C	C	.	.			trans	-141.2	65.5	-177.2	-173.2	175.7	0	0	0	110.7	N466 D468 R480 H533 E548	N466-Y546 HydrophobicContact CB-CD1 4.22Å; N466-Y546 HydrophobicContact CB-CD2 4.35Å; N466-Y546 HydrophobicContact CB-CG 3.93Å; N466-Y546 VanDerWaalsContact ND2-CD1 3.26Å; N466-Y546 WeakPolarHBondContact ND2-CD1 3.36Å; N466-Y546 VanDerWaalsContact ND2-CE1 3.28Å; N466-Y546 WeakPolarHBondContact ND2-CE1 3.37Å; D468-Y546 HydrophobicContact CB-CE2 4.45Å; D468-Y546 WeakPolarHBondContact O-CE2 3.17Å; D468-Y546 PolarHBondContact O-OH 3.46Å; R480-Y546 WeakPolarHBondContact CB-O 3.17Å; R480-Y546 PolarHBondContact O-N 3.17Å; H533-Y546 AromaticContact CE1-CD1 3.98Å; H533-Y546 AromaticContact ND1-CD1 3.75Å; Y546-E548 PolarHBondContact O-N 2.74Å
547	P	97.1	Very high	92.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.			trans	-63.7	132.4	-178	-17.1	32.7	0	0	0	111.7	F477 L489 T545 L593	F477-P547 HydrophobicContact CE2-CB 3.82Å; F477-P547 HydrophobicContact CZ-CB 3.85Å; L489-P547 HydrophobicContact CD1-CG 4.01Å; T545-P547 HydrophobicContact CG2-CG 4.4Å; P547-L593 HydrophobicContact CB-CD2 4.09Å
548	E	96.5	Very high	92.8	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	156	-177.1	68.1	-177.3	179	0	0	112.6	P470 K472 F477 S478 R480 Y546 L550	P470-E548 CarbonylContact O-C 3.47Å; P470-E548 VanDerWaalsContact O-CA 3.27Å; P470-E548 WeakPolarHBondContact O-CA 3.29Å; K472-E548 VanDerWaalsContact CE-OE2 3.29Å; K472-E548 WeakPolarHBondContact CE-OE2 3.43Å; K472-E548 IonicContact NZ-OE1 3.79Å; K472-E548 IonicContact NZ-OE2 2.85Å; K472-E548 PolarHBondContact NZ-OE2 2.98Å; F477-E548 WeakPolarHBondContact CA-O 3.36Å; F477-E548 VanDerWaalsContact CD2-O 3.22Å; F477-E548 WeakPolarHBondContact CD2-O 3.24Å; S478-E548 PolarHBondContact N-O 3Å; S478-E548 PolarHBondContact O-N 3.5Å; R480-E548 VanDerWaalsContact CD-CD 3.45Å; R480-E548 WeakPolarHBondContact CD-OE1 3.31Å; R480-E548 IonicContact NH1-OE1 3.87Å; R480-E548 IonicContact NH1-OE2 2.85Å; R480-E548 PolarHBondContact NH1-OE2 3.41Å; Y546-E548 PolarHBondContact O-N 2.74Å; E548-L550 HydrophobicContact CG-CD2 4.28Å; E548-L550 VanDerWaalsContact OE1-CD2 3.24Å; E548-L550 WeakPolarHBondContact OE1-CD2 3.43Å
549	F	96.8	Very high	92.9	Very high	1 Å²	1	21.9 Å²	21.9	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.2	159.6	-75	-86.9	0	0	0	110	P470 K472 G473 N476 F477 F507 R586 L589 I590	P470-F549 PolarHBondContact O-N 3.49Å; K472-F549 WeakPolarHBondContact CA-O 3.43Å; K472-F549 WeakPolarHBondContact CB-O 3.44Å; K472-F549 PolarHBondContact N-O 3.2Å; G473-F549 PolarHBondContact N-O 2.97Å; G473-F549 WeakPolarHBondContact O-CB 3.43Å; N476-F549 CarbonylContact O-C 3.46Å; N476-F549 WeakPolarHBondContact O-CA 3.42Å; F477-F549 HydrophobicContact CB-CD1 4.18Å; F477-F549 HydrophobicContact CB-CE1 3.93Å; F477-F549 HydrophobicContact CB-CZ 4.42Å; F477-F549 HydrophobicContact CD2-CD2 4.48Å; F477-F549 HydrophobicContact CD2-CE1 4.49Å; F477-F549 HydrophobicContact CD2-CE2 4.28Å; F477-F549 HydrophobicContact CD2-CZ 4.28Å; F507-F549 HydrophobicContact CE2-CE1 4.33Å; F507-F549 AromaticContact CE2-CZ 3.7Å; F507-F549 HydrophobicContact CE2-CZ 3.7Å; F507-F549 HydrophobicContact CZ-CE1 4.46Å; F507-F549 HydrophobicContact CZ-CE2 4.38Å; F507-F549 AromaticContact CZ-CZ 3.76Å; F507-F549 HydrophobicContact CZ-CZ 3.76Å; F549-R586 HydrophobicContact CD2-CB 4.18Å; F549-R586 HydrophobicContact CE2-CB 4.22Å; F549-R586 HydrophobicContact CE2-CG 4.48Å; F549-L589 HydrophobicContact CE2-CD2 4.12Å; F549-L589 HydrophobicContact CZ-CD2 3.77Å; F549-I590 HydrophobicContact CD2-CD1 3.84Å; F549-I590 HydrophobicContact CD2-CG1 3.85Å; F549-I590 HydrophobicContact CE2-CD1 3.66Å; F549-I590 HydrophobicContact CE2-CG1 3.81Å
550	L	94.4	Very high	93	Very high	38 Å²	38	20.9 Å²	20.9	20%	0.199	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	156.9	175.1	-65.6	176.7	0	0	0	111.4	G473 N476 E548 Y556	G473-L550 WeakPolarHBondContact CA-O 3.34Å; N476-L550 HydrophobicContact CB-CB 4.07Å; N476-L550 PolarHBondContact O-N 3.39Å; E548-L550 HydrophobicContact CG-CD2 4.28Å; E548-L550 VanDerWaalsContact OE1-CD2 3.24Å; E548-L550 WeakPolarHBondContact OE1-CD2 3.43Å; L550-Y556 HydrophobicContact CD2-CD2 4.48Å
551	P	93	Very high	93.1	Very high	5 Å²	5	22.8 Å²	22.8	3%	0.032	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-48	139.8	168.5	-27.9	33.5	0	0	0	113.8	K472 N476 D553 G554 L555 N557	K472-P551 HydrophobicContact CB-CG 4.13Å; N476-P551 PolarHBondContact ND2-O 3.31Å; N476-P551 VanDerWaalsContact ND2-O 3.12Å; P551-D553 VanDerWaalsContact C-N 3.26Å; P551-D553 WeakPolarHBondContact CB-OD1 3.44Å; P551-D553 PolarHBondContact O-N 3.39Å; P551-G554 PolarHBondContact O-N 3.13Å; P551-G554 VanDerWaalsContact O-N 3.16Å; P551-L555 HydrophobicContact CB-CB 4Å; P551-L555 VanDerWaalsContact CD-O 3.25Å; P551-L555 WeakPolarHBondContact CD-O 3.49Å; P551-L555 HydrophobicContact CG-CB 4.16Å; P551-L555 WeakPolarHBondContact CG-O 3.35Å; P551-N557 WeakPolarHBondContact CG-O 3.46Å
552	D	88.4	Confident	93.2	Very high	40 Å²	40	23 Å²	23	21%	0.214	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.4	-175	-80	13.9	0	0	0	114.5	H474 K475 G554	H474-D552 IonicContact CD2-OD2 2.8Å; H474-D552 IonicContact CE1-OD2 3.49Å; H474-D552 PolarHBondContact CE1-OD2 3.18Å; H474-D552 IonicContact CG-OD2 3.56Å; H474-D552 PolarHBondContact N-OD1 2.72Å; H474-D552 IonicContact ND1-OD1 2.77Å; H474-D552 IonicContact ND1-OD2 3.27Å; H474-D552 IonicContact NE2-OD2 3.95Å; H474-D552 PolarHBondContact NE2-OD2 2.85Å; K475-D552 WeakPolarHBondContact CB-OD1 3.44Å; K475-D552 WeakPolarHBondContact CD-OD2 3.24Å; K475-D552 WeakPolarHBondContact CE-OD2 3.33Å; K475-D552 WeakPolarHBondContact CG-OD2 3.49Å; K475-D552 PolarHBondContact N-OD1 3.08Å; K475-D552 IonicContact NZ-OD2 3.45Å; K475-D552 PolarHBondContact NZ-OD2 3.39Å; D552-G554 VanDerWaalsContact C-N 3.29Å
553	D	84.9	Confident	93.1	Very high	71 Å²	71	23 Å²	23	38%	0.38	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	2.1	175.2	47.4	20.2	0	0	0	113.4	K260 P551 L555	K260-D553 WeakPolarHBondContact CE-OD2 3.37Å; K260-D553 IonicContact NZ-OD1 2.79Å; K260-D553 IonicContact NZ-OD2 3.6Å; K260-D553 PolarHBondContact NZ-OD2 2.96Å; P551-D553 VanDerWaalsContact C-N 3.26Å; P551-D553 WeakPolarHBondContact CB-OD1 3.44Å; P551-D553 PolarHBondContact O-N 3.39Å; D553-L555 VanDerWaalsContact C-N 3.32Å; D553-L555 WeakPolarHBondContact OD1-CB 3.37Å; D553-L555 VanDerWaalsContact OD1-CG 3.28Å; D553-L555 WeakPolarHBondContact OD1-CG 3.41Å; D553-L555 PolarHBondContact OD1-N 2.85Å; D553-L555 VanDerWaalsContact OD1-N 3.11Å
554	G	84.5	Confident	93	Very high	64 Å²	64	23.2 Å²	23.2	66%	0.66	13%	0.131	S	C	*	.	S	Bend	trans	81.5	9	-178.4	0	0	0	0	0	114.3	P551 D552	P551-G554 PolarHBondContact O-N 3.13Å; P551-G554 VanDerWaalsContact O-N 3.16Å; D552-G554 VanDerWaalsContact C-N 3.29Å
555	L	87.4	Confident	92.8	Very high	55 Å²	55	25.5 Å²	25.5	29%	0.288	14%	0.14	S	C	.	.			trans	-66.6	160.6	165.6	-63.1	176.7	0	0	0	110.7	D248 P551 D553 N557 P559	D248-L555 WeakPolarHBondContact O-CD2 3.35Å; P551-L555 HydrophobicContact CB-CB 4Å; P551-L555 VanDerWaalsContact CD-O 3.25Å; P551-L555 WeakPolarHBondContact CD-O 3.49Å; P551-L555 HydrophobicContact CG-CB 4.16Å; P551-L555 WeakPolarHBondContact CG-O 3.35Å; D553-L555 VanDerWaalsContact C-N 3.32Å; D553-L555 WeakPolarHBondContact OD1-CB 3.37Å; D553-L555 VanDerWaalsContact OD1-CG 3.28Å; D553-L555 WeakPolarHBondContact OD1-CG 3.41Å; D553-L555 PolarHBondContact OD1-N 2.85Å; D553-L555 VanDerWaalsContact OD1-N 3.11Å; L555-N557 WeakPolarHBondContact CB-O 3.34Å; L555-P559 HydrophobicContact CD1-CG 3.84Å
556	Y	86.9	Confident	92.7	Very high	94 Å²	94	25.4 Å²	25.4	37%	0.369	14%	0.139	S	C	.	.	S	Bend	trans	-81.4	-41.3	176.8	-179.7	-99.6	0	0	0	112.5	K472 R480 L550	K472-Y556 PolarHBondContact NZ-O 3.07Å; R480-Y556 PolarHBondContact NH1-OH 2.8Å; L550-Y556 HydrophobicContact CD2-CD2 4.48Å
557	N	91.2	Very high	92.6	Very high	39 Å²	39	25.9 Å²	25.9	21%	0.209	14%	0.142	C	C	.	.	S	Bend	trans	-123.2	159.7	176	-72.7	-14.6	0	0	0	110.1	K472 P551 L555 Y561	K472-N557 PolarHBondContact NZ-OD1 2.71Å; P551-N557 WeakPolarHBondContact CG-O 3.46Å; L555-N557 WeakPolarHBondContact CB-O 3.34Å; N557-Y561 HydrophobicContact CB-CD1 4.32Å; N557-Y561 HydrophobicContact CB-CD2 4.16Å; N557-Y561 HydrophobicContact CB-CG 3.9Å; N557-Y561 WeakPolarHBondContact ND2-CE1 2.99Å
558	T	92.6	Very high	92.5	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.031	14%	0.143	C	C	.	.			trans	-57.8	146.9	171.8	59.7	0	0	0	0	109.6	K472 V560 Y561 T575	K472-T558 HydrophobicContact CB-CG2 3.9Å; K472-T558 HydrophobicContact CG-CG2 4.31Å; K472-T558 WeakPolarHBondContact O-CG2 3.27Å; T558-V560 PolarHBondContact O-N 3.45Å; T558-V560 VanDerWaalsContact O-N 3.16Å; T558-Y561 WeakPolarHBondContact O-CB 3.49Å; T558-Y561 PolarHBondContact O-N 2.93Å; T558-Y561 VanDerWaalsContact O-N 3.14Å; T558-Y561 PolarHBondContact OG1-N 3.44Å; T558-T575 HydrophobicContact CG2-CG2 3.61Å
559	P	93.4	Very high	92.4	Very high	8 Å²	8	28.5 Å²	28.5	5%	0.052	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-31.1	178.3	-29.2	36.9	0	0	0	113.9	F249 K260 L262 L555 Y561	F249-P559 WeakPolarHBondContact O-CB 2.91Å; K260-P559 WeakPolarHBondContact O-CB 3.28Å; K260-P559 WeakPolarHBondContact O-CG 3.19Å; L262-P559 HydrophobicContact CB-CB 4Å; L262-P559 VanDerWaalsContact CD1-O 3.3Å; L262-P559 WeakPolarHBondContact CD1-O 3.16Å; L555-P559 HydrophobicContact CD1-CG 3.84Å; P559-Y561 VanDerWaalsContact C-N 3.33Å
560	V	93.8	Very high	92.3	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.012	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-5.9	-178.4	-57.4	0	0	0	0	114.9	L262 T558 H562 T563 Y565 V570	L262-V560 HydrophobicContact CD1-CG1 4.36Å; T558-V560 PolarHBondContact O-N 3.45Å; T558-V560 VanDerWaalsContact O-N 3.16Å; V560-H562 PolarHBondContact O-N 3.09Å; V560-T563 WeakPolarHBondContact O-CB 3.34Å; V560-T563 WeakPolarHBondContact O-CG2 3.35Å; V560-T563 PolarHBondContact O-N 2.93Å; V560-T563 VanDerWaalsContact O-N 3.11Å; V560-T563 PolarHBondContact O-OG1 3.24Å; V560-Y565 WeakPolarHBondContact CB-O 3.37Å; V560-Y565 WeakPolarHBondContact CG2-O 3.48Å; V560-V570 HydrophobicContact CG1-CG2 4.25Å; V560-V570 HydrophobicContact CG2-CB 4.39Å; V560-V570 HydrophobicContact CG2-CG1 3.81Å; V560-V570 HydrophobicContact CG2-CG2 4.31Å
561	Y	94.4	Very high	92.3	Very high	40 Å²	40	27 Å²	27	16%	0.157	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	131.8	-179	178.8	-97.2	0	0	0	112.4	V268 D402 N557 T558 P559 T563	V268-Y561 WeakPolarHBondContact CG1-O 3.46Å; D402-Y561 HydrophobicContact CB-CD2 4.09Å; D402-Y561 HydrophobicContact CB-CE2 3.74Å; D402-Y561 WeakPolarHBondContact OD2-CE2 3.46Å; D402-Y561 PolarHBondContact OD2-OH 2.82Å; N557-Y561 HydrophobicContact CB-CD1 4.32Å; N557-Y561 HydrophobicContact CB-CD2 4.16Å; N557-Y561 HydrophobicContact CB-CG 3.9Å; N557-Y561 WeakPolarHBondContact ND2-CE1 2.99Å; T558-Y561 WeakPolarHBondContact O-CB 3.49Å; T558-Y561 PolarHBondContact O-N 2.93Å; T558-Y561 VanDerWaalsContact O-N 3.14Å; T558-Y561 PolarHBondContact OG1-N 3.44Å; P559-Y561 VanDerWaalsContact C-N 3.33Å; Y561-T563 VanDerWaalsContact C-N 3.28Å; Y561-T563 PolarHBondContact O-N 3.48Å
562	H	95.9	Very high	92.4	Very high	8 Å²	8	29.3 Å²	29.3	4%	0.037	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	32.3	-178.7	-68.1	-170.7	0	0	0	114.1	V268 F269 W396 D402 E440 V560	V268-H562 HydrophobicContact CG1-CB 3.66Å; F269-H562 WeakPolarHBondContact CD2-O 3.36Å; F269-H562 PolarHBondContact N-O 3.23Å; W396-H562 AromaticContact CD1-CD2 3.41Å; W396-H562 VanDerWaalsContact CD1-CD2 3.41Å; W396-H562 AromaticContact CD1-CE1 3.59Å; W396-H562 AromaticContact CD1-CG 3.52Å; W396-H562 AromaticContact CD1-ND1 3.69Å; W396-H562 AromaticContact CD1-NE2 3.43Å; W396-H562 AromaticContact NE1-CE1 3.54Å; W396-H562 AromaticContact NE1-ND1 3.77Å; W396-H562 AromaticContact NE1-NE2 3.79Å; D402-H562 IonicContact OD2-CD2 3.04Å; D402-H562 PolarHBondContact OD2-CD2 3.24Å; D402-H562 IonicContact OD2-CE1 2.98Å; D402-H562 IonicContact OD2-NE2 3.84Å; D402-H562 PolarHBondContact OD2-NE2 3.22Å; E440-H562 IonicContact OE1-CD2 3.15Å; E440-H562 IonicContact OE1-NE2 3.8Å; E440-H562 PolarHBondContact OE1-NE2 3.48Å; E440-H562 IonicContact OE2-CE1 3.47Å; E440-H562 PolarHBondContact OE2-CE1 3.18Å; E440-H562 IonicContact OE2-NE2 3.88Å; E440-H562 PolarHBondContact OE2-NE2 3.44Å; V560-H562 PolarHBondContact O-N 3.09Å
563	T	95.8	Very high	92.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-127.1	171.7	175.4	77.1	0	0	0	0	111.4	L262 A266 V268 V560 Y561 Y565 D566	L262-T563 HydrophobicContact CD1-CG2 3.73Å; L262-T563 HydrophobicContact CD2-CG2 4.49Å; A266-T563 HydrophobicContact CB-CG2 4.39Å; V268-T563 HydrophobicContact CB-CG2 4.33Å; V268-T563 HydrophobicContact CG1-CG2 4.3Å; V268-T563 HydrophobicContact CG2-CG2 3.87Å; V560-T563 WeakPolarHBondContact O-CB 3.34Å; V560-T563 WeakPolarHBondContact O-CG2 3.35Å; V560-T563 PolarHBondContact O-N 2.93Å; V560-T563 VanDerWaalsContact O-N 3.11Å; V560-T563 PolarHBondContact O-OG1 3.24Å; Y561-T563 VanDerWaalsContact C-N 3.28Å; Y561-T563 PolarHBondContact O-N 3.48Å; T563-Y565 PolarHBondContact O-N 3.14Å; T563-Y565 VanDerWaalsContact O-N 3.12Å; T563-Y565 PolarHBondContact OG1-N 3.34Å; T563-Y565 VanDerWaalsContact OG1-N 3.09Å; T563-D566 PolarHBondContact O-N 2.94Å; T563-D566 VanDerWaalsContact O-N 3.11Å
564	A	94.4	Very high	93.1	Very high	7 Å²	7	31.2 Å²	31.2	6%	0.058	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-6.3	171.7	0	0	0	0	0	114.2	V129 V397 I567	V129-A564 HydrophobicContact CB-CB 3.75Å; V129-A564 HydrophobicContact CG1-CB 4.31Å; V129-A564 HydrophobicContact CG2-CB 3.85Å; V397-A564 HydrophobicContact CG1-CB 4.33Å; A564-I567 WeakPolarHBondContact O-CG2 3.48Å
565	Y	94.5	Very high	93.6	Very high	47 Å²	47	28.4 Å²	28.4	18%	0.184	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	3.1	174.5	-56.6	-86	0	0	0	112.6	Y256 L262 P263 D265 A266 V560 T563 I567 V570	Y256-Y565 AromaticContact CD1-CD1 3.61Å; Y256-Y565 HydrophobicContact CD1-CD1 3.61Å; Y256-Y565 HydrophobicContact CD1-CE1 4.07Å; Y256-Y565 HydrophobicContact CE1-CD1 4.11Å; Y256-Y565 HydrophobicContact CG-CD1 4.34Å; L262-Y565 HydrophobicContact CD1-CD2 4.47Å; P263-Y565 HydrophobicContact CB-CE1 4.21Å; P263-Y565 HydrophobicContact CB-CE2 4.06Å; P263-Y565 HydrophobicContact CG-CD1 3.86Å; P263-Y565 HydrophobicContact CG-CD2 4.18Å; P263-Y565 HydrophobicContact CG-CE1 3.68Å; P263-Y565 HydrophobicContact CG-CE2 4.05Å; P263-Y565 HydrophobicContact CG-CG 4.1Å; D265-Y565 PolarHBondContact OD1-OH 2.65Å; D265-Y565 PolarHBondContact OD2-OH 2.86Å; A266-Y565 HydrophobicContact CB-CD2 3.61Å; A266-Y565 HydrophobicContact CB-CE2 3.44Å; A266-Y565 VanDerWaalsContact CB-CE2 3.44Å; V560-Y565 WeakPolarHBondContact CB-O 3.37Å; V560-Y565 WeakPolarHBondContact CG2-O 3.48Å; T563-Y565 PolarHBondContact O-N 3.14Å; T563-Y565 VanDerWaalsContact O-N 3.12Å; T563-Y565 PolarHBondContact OG1-N 3.34Å; T563-Y565 VanDerWaalsContact OG1-N 3.09Å; Y565-I567 PolarHBondContact O-N 3.08Å; Y565-V570 WeakPolarHBondContact O-CG2 3.28Å
566	D	95.3	Very high	94.1	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.011	12%	0.116	C	C	.	.			trans	-75.7	74.8	170.5	-166.5	4.4	0	0	0	110.7	G399 A400 C401 D402 T563	G399-D566 PolarHBondContact N-O 2.97Å; A400-D566 PolarHBondContact N-O 3.35Å; A400-D566 PolarHBondContact N-OD1 3.43Å; C401-D566 WeakPolarHBondContact CA-OD1 3.44Å; C401-D566 WeakPolarHBondContact CB-OD1 3.24Å; C401-D566 PolarHBondContact N-OD1 3.06Å; D402-D566 PolarHBondContact N-OD2 3.47Å; D402-D566 VanDerWaalsContact N-OD2 3.11Å; T563-D566 PolarHBondContact O-N 2.94Å; T563-D566 VanDerWaalsContact O-N 3.11Å
567	I	94.3	Very high	94.5	Very high	17 Å²	17	23.3 Å²	23.3	9%	0.087	11%	0.111	C	C	.	.	S	Bend	trans	-130.2	163.6	-166.8	65.9	179.4	0	0	0	112.5	P132 Y256 Q398 A400 A564 Y565 D569 V570 V571	P132-I567 HydrophobicContact CG-CG2 4.14Å; Y256-I567 HydrophobicContact CE1-CD1 4.36Å; Q398-I567 VanDerWaalsContact OE1-CG2 3.28Å; A400-I567 WeakPolarHBondContact CB-O 3.27Å; A564-I567 WeakPolarHBondContact O-CG2 3.48Å; Y565-I567 PolarHBondContact O-N 3.08Å; I567-D569 VanDerWaalsContact C-N 3.28Å; I567-D569 HydrophobicContact CD1-CB 4.35Å; I567-D569 HydrophobicContact CG1-CB 4.36Å; I567-D569 PolarHBondContact O-N 2.65Å; I567-V570 HydrophobicContact CG1-CG2 4.13Å; I567-V570 WeakPolarHBondContact O-CB 3.43Å; I567-V570 PolarHBondContact O-N 3.36Å; I567-V571 PolarHBondContact O-N 3.29Å
568	I	94.5	Very high	94.8	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.026	13%	0.126	C	C	.	.	H	α-helix	trans	-59.5	-38.3	-172.9	-55.7	175.2	0	0	0	112.1	M54 H55 C58 A400 V570 V571 E572	M54-I568 HydrophobicContact CG-CD1 4.41Å; M54-I568 HydrophobicContact CG-CG1 4.07Å; M54-I568 HydrophobicContact CG-CG2 4.02Å; H55-I568 VanDerWaalsContact CA-CD1 3.49Å; H55-I568 HydrophobicContact CB-CD1 4.25Å; H55-I568 WeakPolarHBondContact ND1-CD1 3.47Å; C58-I568 HydrophobicContact CB-CD1 4.12Å; C58-I568 HydrophobicContact CB-CG1 3.87Å; A400-I568 HydrophobicContact CB-CG1 4.26Å; I568-V570 PolarHBondContact O-N 3.03Å; I568-V571 WeakPolarHBondContact O-CA 3.42Å; I568-V571 WeakPolarHBondContact O-CB 3.42Å; I568-V571 PolarHBondContact O-N 3.37Å; I568-E572 HydrophobicContact CG2-CG 4.14Å; I568-E572 PolarHBondContact O-N 2.81Å
569	D	93.9	Very high	94.9	Very high	51 Å²	51	25.9 Å²	25.9	27%	0.273	14%	0.136	S	C	.	.	H	α-helix	trans	-57.9	-34.2	177.6	-172.8	62.8	0	0	0	112.1	Y256 I567 R573	Y256-D569 WeakPolarHBondContact CE2-OD2 3.21Å; Y256-D569 PolarHBondContact OH-OD2 3.44Å; I567-D569 VanDerWaalsContact C-N 3.28Å; I567-D569 HydrophobicContact CD1-CB 4.35Å; I567-D569 HydrophobicContact CG1-CB 4.36Å; I567-D569 PolarHBondContact O-N 2.65Å; D569-R573 VanDerWaalsContact CG-CD 3.49Å; D569-R573 VanDerWaalsContact O-CB 3.25Å; D569-R573 WeakPolarHBondContact O-CB 3.09Å; D569-R573 VanDerWaalsContact O-CG 3.31Å; D569-R573 WeakPolarHBondContact O-CG 3.27Å; D569-R573 PolarHBondContact O-N 3.37Å; D569-R573 VanDerWaalsContact O-N 3.08Å; D569-R573 WeakPolarHBondContact OD1-CD 3.42Å; D569-R573 WeakPolarHBondContact OD2-CD 3.3Å; D569-R573 IonicContact OD2-CZ 3.04Å; D569-R573 IonicContact OD2-NH1 2.78Å; D569-R573 PolarHBondContact OD2-NH1 3.07Å
570	V	94.2	Very high	94.9	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.03	17%	0.168	C	C	.	.	H	α-helix	trans	-69.4	-37.8	175.4	173.8	0	0	0	0	111.2	Y256 V560 Y565 I567 I568 F574 T575	Y256-V570 HydrophobicContact CD2-CG2 3.78Å; Y256-V570 HydrophobicContact CE2-CG2 3.86Å; V560-V570 HydrophobicContact CG1-CG2 4.25Å; V560-V570 HydrophobicContact CG2-CB 4.39Å; V560-V570 HydrophobicContact CG2-CG1 3.81Å; V560-V570 HydrophobicContact CG2-CG2 4.31Å; Y565-V570 WeakPolarHBondContact O-CG2 3.28Å; I567-V570 HydrophobicContact CG1-CG2 4.13Å; I567-V570 WeakPolarHBondContact O-CB 3.43Å; I567-V570 PolarHBondContact O-N 3.36Å; I568-V570 PolarHBondContact O-N 3.03Å; V570-F574 HydrophobicContact CB-CD2 4.44Å; V570-F574 HydrophobicContact CG1-CB 4.49Å; V570-F574 HydrophobicContact CG1-CD2 4.2Å; V570-F574 HydrophobicContact CG2-CD2 4.47Å; V570-F574 WeakPolarHBondContact O-CA 3.49Å; V570-F574 WeakPolarHBondContact O-CB 3.42Å; V570-F574 PolarHBondContact O-N 2.79Å; V570-T575 HydrophobicContact CG1-CG2 4.18Å; V570-T575 PolarHBondContact O-N 3.35Å; V570-T575 VanDerWaalsContact O-N 3.14Å
571	V	95.5	Very high	94.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	18%	0.181	C	C	.	.	I	π-helix	trans	-63.9	-52.2	176.5	179.1	0	0	0	0	110.7	M54 A400 I567 I568 R573 T575 D576 L584	M54-V571 HydrophobicContact CE-CG1 4.25Å; A400-V571 HydrophobicContact CB-CG2 3.78Å; I567-V571 PolarHBondContact O-N 3.29Å; I568-V571 WeakPolarHBondContact O-CA 3.42Å; I568-V571 WeakPolarHBondContact O-CB 3.42Å; I568-V571 PolarHBondContact O-N 3.37Å; V571-R573 VanDerWaalsContact C-N 3.31Å; V571-R573 PolarHBondContact O-N 3.16Å; V571-T575 VanDerWaalsContact CA-OG1 3.3Å; V571-T575 WeakPolarHBondContact CA-OG1 3.41Å; V571-T575 PolarHBondContact O-N 3.38Å; V571-D576 CarbonylContact O-C 3.1Å; V571-D576 PolarHBondContact O-N 3.24Å; V571-L584 HydrophobicContact CG1-CD2 3.74Å
572	E	95.2	Very high	94.9	Very high	54 Å²	54	34.6 Å²	34.6	25%	0.252	18%	0.183	S	C	.	.	I	π-helix	trans	-68.3	-26	-176.1	-68	-171.2	91.5	0	0	114	L51 I568 P577	L51-E572 HydrophobicContact CD1-CG 4.34Å; I568-E572 HydrophobicContact CG2-CG 4.14Å; I568-E572 PolarHBondContact O-N 2.81Å; E572-P577 VanDerWaalsContact O-CA 3.3Å; E572-P577 WeakPolarHBondContact O-CA 3.34Å
573	R	94.2	Very high	94.9	Very high	105 Å²	105	37.7 Å²	37.7	40%	0.396	20%	0.198	S	C	.	.	I	π-helix	trans	-103.6	-29.9	-175.6	-66.2	175.7	60.6	-158.3	-4.5	114.6	P257 D569 V571 P577	P257-R573 PolarHBondContact O-NH1 2.97Å; P257-R573 PolarHBondContact O-NH2 3.25Å; D569-R573 VanDerWaalsContact CG-CD 3.49Å; D569-R573 VanDerWaalsContact O-CB 3.25Å; D569-R573 WeakPolarHBondContact O-CB 3.09Å; D569-R573 VanDerWaalsContact O-CG 3.31Å; D569-R573 WeakPolarHBondContact O-CG 3.27Å; D569-R573 PolarHBondContact O-N 3.37Å; D569-R573 VanDerWaalsContact O-N 3.08Å; D569-R573 WeakPolarHBondContact OD1-CD 3.42Å; D569-R573 WeakPolarHBondContact OD2-CD 3.3Å; D569-R573 IonicContact OD2-CZ 3.04Å; D569-R573 IonicContact OD2-NH1 2.78Å; D569-R573 PolarHBondContact OD2-NH1 3.07Å; V571-R573 VanDerWaalsContact C-N 3.31Å; V571-R573 PolarHBondContact O-N 3.16Å; R573-P577 WeakPolarHBondContact O-CG 3.24Å
574	F	94	Very high	95	Very high	46 Å²	46	37.8 Å²	37.8	20%	0.202	20%	0.199	C	C	.	.	I	π-helix	trans	-125.6	-45	-168.3	-55.4	-61.8	0	0	0	113.7	Y256 G259 K260 H474 V570	Y256-F574 HydrophobicContact CD2-CE2 4.08Å; Y256-F574 HydrophobicContact CE2-CE2 4.45Å; G259-F574 WeakPolarHBondContact O-CZ 3.33Å; K260-F574 HydrophobicContact CB-CB 4.11Å; K260-F574 HydrophobicContact CB-CD1 4.08Å; K260-F574 HydrophobicContact CB-CD2 4.32Å; K260-F574 HydrophobicContact CB-CG 3.92Å; H474-F574 PolarHBondContact CE1-O 3.46Å; H474-F574 PolarHBondContact ND1-O 3.43Å; V570-F574 HydrophobicContact CB-CD2 4.44Å; V570-F574 HydrophobicContact CG1-CB 4.49Å; V570-F574 HydrophobicContact CG1-CD2 4.2Å; V570-F574 HydrophobicContact CG2-CD2 4.47Å; V570-F574 WeakPolarHBondContact O-CA 3.49Å; V570-F574 WeakPolarHBondContact O-CB 3.42Å; V570-F574 PolarHBondContact O-N 2.79Å
575	T	95.3	Very high	95.1	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.031	20%	0.198	C	C	.	.	I	π-helix	trans	-84.5	-46.1	-175	74	0	0	0	0	112	G473 H474 T558 V570 V571	G473-T575 CarbonylContact C-O 3.55Å; G473-T575 WeakPolarHBondContact CA-O 3.38Å; H474-T575 WeakPolarHBondContact CB-O 3.44Å; H474-T575 PolarHBondContact ND1-O 3.44Å; H474-T575 VanDerWaalsContact ND1-O 3.14Å; T558-T575 HydrophobicContact CG2-CG2 3.61Å; V570-T575 HydrophobicContact CG1-CG2 4.18Å; V570-T575 PolarHBondContact O-N 3.35Å; V570-T575 VanDerWaalsContact O-N 3.14Å; V571-T575 VanDerWaalsContact CA-OG1 3.3Å; V571-T575 WeakPolarHBondContact CA-OG1 3.41Å; V571-T575 PolarHBondContact O-N 3.38Å
576	D	96.8	Very high	95.3	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.193	C	C	.	.	S	Bend	trans	-137.7	68.3	179.1	-162.6	10.9	0	0	0	113.3	V471 V571 L584 P585 R586 H587	V471-D576 HydrophobicContact CG1-CB 3.81Å; V571-D576 CarbonylContact O-C 3.1Å; V571-D576 PolarHBondContact O-N 3.24Å; D576-L584 HydrophobicContact CB-CD2 4.14Å; D576-L584 WeakPolarHBondContact OD2-CA 3.15Å; D576-L584 WeakPolarHBondContact OD2-CB 3.43Å; D576-P585 WeakPolarHBondContact OD1-CD 3.18Å; D576-P585 VanDerWaalsContact OD1-CG 3.31Å; D576-P585 WeakPolarHBondContact OD1-CG 3.27Å; D576-R586 VanDerWaalsContact CG-N 3.34Å; D576-R586 WeakPolarHBondContact OD1-CB 3.27Å; D576-R586 WeakPolarHBondContact OD1-CG 3.48Å; D576-R586 PolarHBondContact OD1-N 2.93Å; D576-R586 WeakPolarHBondContact OD2-CA 3.25Å; D576-R586 PolarHBondContact OD2-N 3.03Å; D576-H587 IonicContact OD2-CE1 3.36Å; D576-H587 IonicContact OD2-CG 3.8Å; D576-H587 PolarHBondContact OD2-N 3.19Å; D576-H587 IonicContact OD2-ND1 2.7Å; D576-H587 PolarHBondContact OD2-ND1 3.38Å
577	P	96	Very high	95.4	Very high	42 Å²	42	36.4 Å²	36.4	27%	0.273	19%	0.192	S	C	.	.			trans	-61.4	142.7	-178.1	-19.8	32.6	0	0	0	113.1	E572 R573 P585	E572-P577 VanDerWaalsContact O-CA 3.3Å; E572-P577 WeakPolarHBondContact O-CA 3.34Å; R573-P577 WeakPolarHBondContact O-CG 3.24Å; P577-P585 VanDerWaalsContact O-CD 3.31Å; P577-P585 WeakPolarHBondContact O-CD 3.31Å; P577-P585 WeakPolarHBondContact O-CG 3.05Å
578	A	96.3	Very high	95.6	Very high	63 Å²	63	35.9 Å²	35.9	52%	0.521	19%	0.189	S	C	.	.			trans	-56.8	146.2	175.6	0	0	0	0	0	111.5
579	S	94.6	Very high	95.7	Very high	35 Å²	35	35.7 Å²	35.7	25%	0.245	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-126.3	-175.6	176.4	74.7	0	0	0	0	110.6	T581 G582	S579-T581 PolarHBondContact O-N 2.94Å; S579-T581 VanDerWaalsContact O-N 3.08Å; S579-T581 PolarHBondContact OG-N 3.36Å; S579-T581 PolarHBondContact OG-OG1 3.16Å; S579-G582 PolarHBondContact N-O 3.03Å; S579-G582 PolarHBondContact O-N 2.87Å
580	F	94	Very high	96	Very high	166 Å²	166	33.2 Å²	33.2	73%	0.728	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-13.7	178.2	69.4	-92.7	0	0	0	113.5	P500 P501	P500-F580 HydrophobicContact CB-CD1 4.23Å; P500-F580 HydrophobicContact CB-CE1 3.48Å; P500-F580 VanDerWaalsContact CB-CE1 3.48Å; P500-F580 HydrophobicContact CB-CZ 3.7Å; P500-F580 HydrophobicContact CG-CE1 4.22Å; P501-F580 HydrophobicContact CG-CE2 4.44Å; P501-F580 HydrophobicContact CG-CZ 4.34Å
581	T	92	Very high	96.2	Very high	46 Å²	46	33 Å²	33	28%	0.282	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	3.5	172.6	49.2	0	0	0	0	113.4	D499 P500 P501 S579 R588	D499-T581 PolarHBondContact OD1-OG1 3.34Å; P500-T581 HydrophobicContact CB-CG2 4.29Å; P501-T581 VanDerWaalsContact CD-CG2 3.45Å; P501-T581 HydrophobicContact CG-CG2 4.22Å; S579-T581 PolarHBondContact O-N 2.94Å; S579-T581 VanDerWaalsContact O-N 3.08Å; S579-T581 PolarHBondContact OG-N 3.36Å; S579-T581 PolarHBondContact OG-OG1 3.16Å; T581-R588 VanDerWaalsContact CB-NH2 3.3Å; T581-R588 PolarHBondContact O-NH1 3.35Å; T581-R588 PolarHBondContact O-NH2 3.38Å; T581-R588 PolarHBondContact OG1-NH2 3.43Å
582	G	95.3	Very high	96.3	Very high	20 Å²	20	34.9 Å²	34.9	21%	0.206	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	106.2	-158.1	177.7	0	0	0	0	0	113.6	D47 S579	D47-G582 WeakPolarHBondContact OD2-CA 3.11Å; S579-G582 PolarHBondContact N-O 3.03Å; S579-G582 PolarHBondContact O-N 2.87Å
583	H	96.9	Very high	96.5	Very high	73 Å²	73	32.3 Å²	32.3	34%	0.338	17%	0.168	S	C	.	.	S	Bend	trans	-78.9	146.1	-173	-58.7	-86.1	0	0	0	113.2	D47 L51 R588	D47-H583 HydrophobicContact CB-CB 4.36Å; D47-H583 WeakPolarHBondContact CB-O 3.4Å; D47-H583 IonicContact OD2-CD2 3.66Å; D47-H583 PolarHBondContact OD2-N 3.21Å; L51-H583 HydrophobicContact CB-CB 4.45Å; L51-H583 HydrophobicContact CD2-CB 4.32Å; H583-R588 PolarHBondContact O-NH1 3.15Å
584	L	97.5	Very high	96.7	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.016	15%	0.149	C	C	.	.			trans	52.9	54.6	170.4	-50.6	176	0	0	0	114.5	L50 L51 V571 D576 R586 H587 R588	L50-L584 HydrophobicContact CB-CD1 3.99Å; L51-L584 HydrophobicContact CB-CD1 4.48Å; V571-L584 HydrophobicContact CG1-CD2 3.74Å; D576-L584 HydrophobicContact CB-CD2 4.14Å; D576-L584 WeakPolarHBondContact OD2-CA 3.15Å; D576-L584 WeakPolarHBondContact OD2-CB 3.43Å; L584-R586 VanDerWaalsContact C-N 3.25Å; L584-R586 PolarHBondContact O-N 3.32Å; L584-H587 HydrophobicContact CB-CB 3.9Å; L584-H587 PolarHBondContact O-N 2.68Å; L584-R588 WeakPolarHBondContact O-CG 3.29Å; L584-R588 PolarHBondContact O-N 2.91Å
585	P	97.5	Very high	96.9	Very high	6 Å²	6	25.1 Å²	25.1	4%	0.039	14%	0.14	C	C	.	.	H	α-helix	trans	-55.2	-36.7	-177.5	22.3	-32.9	0	0	0	113.8	D499 D576 P577 R588 L589	D499-P585 HydrophobicContact CB-CB 4.47Å; D576-P585 WeakPolarHBondContact OD1-CD 3.18Å; D576-P585 VanDerWaalsContact OD1-CG 3.31Å; D576-P585 WeakPolarHBondContact OD1-CG 3.27Å; P577-P585 VanDerWaalsContact O-CD 3.31Å; P577-P585 WeakPolarHBondContact O-CD 3.31Å; P577-P585 WeakPolarHBondContact O-CG 3.05Å; P585-R588 PolarHBondContact O-N 3.45Å; P585-L589 WeakPolarHBondContact O-CB 3.24Å; P585-L589 PolarHBondContact O-N 3.45Å
586	R	97.5	Very high	97.1	Very high	21 Å²	21	24.9 Å²	24.9	8%	0.079	14%	0.139	C	C	.	.	H	α-helix	trans	-77.1	-34	179.3	-59.6	-54.3	-169.3	176.4	3.7	113	V471 H474 D499 E510 F549 D576 L584 R588 L589 I590	V471-R586 HydrophobicContact CG1-CB 3.85Å; V471-R586 HydrophobicContact CG2-CB 4.46Å; H474-R586 HydrophobicContact CB-CG 3.62Å; H474-R586 PolarHBondContact O-NE 2.77Å; H474-R586 PolarHBondContact O-NH2 3.31Å; D499-R586 PolarHBondContact O-NH1 2.89Å; E510-R586 IonicContact OE1-CZ 3.21Å; E510-R586 IonicContact OE1-NH1 2.66Å; E510-R586 PolarHBondContact OE1-NH1 2.89Å; E510-R586 VanDerWaalsContact OE1-NH1 3.11Å; E510-R586 IonicContact OE1-NH2 3.28Å; E510-R586 PolarHBondContact OE1-NH2 3.07Å; E510-R586 IonicContact OE2-CZ 3.81Å; E510-R586 IonicContact OE2-NH1 3.75Å; E510-R586 PolarHBondContact OE2-NH1 2.86Å; E510-R586 IonicContact OE2-NH2 3.89Å; F549-R586 HydrophobicContact CD2-CB 4.18Å; F549-R586 HydrophobicContact CE2-CB 4.22Å; F549-R586 HydrophobicContact CE2-CG 4.48Å; D576-R586 VanDerWaalsContact CG-N 3.34Å; D576-R586 WeakPolarHBondContact OD1-CB 3.27Å; D576-R586 WeakPolarHBondContact OD1-CG 3.48Å; D576-R586 PolarHBondContact OD1-N 2.93Å; D576-R586 WeakPolarHBondContact OD2-CA 3.25Å; D576-R586 PolarHBondContact OD2-N 3.03Å; L584-R586 VanDerWaalsContact C-N 3.25Å; L584-R586 PolarHBondContact O-N 3.32Å; R586-R588 VanDerWaalsContact C-N 3.31Å; R586-R588 PolarHBondContact O-N 3.16Å; R586-L589 VanDerWaalsContact NH1-CD2 3.27Å; R586-L589 PolarHBondContact O-N 2.92Å; R586-I590 WeakPolarHBondContact O-CG1 3.45Å; R586-I590 PolarHBondContact O-N 2.83Å
587	H	98.2	Very high	97.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.4	-40.5	169.8	-70.7	75.8	0	0	0	111.3	L50 S405 I409 D576 L584 T591	L50-H587 HydrophobicContact CD1-CB 4.04Å; S405-H587 VanDerWaalsContact CA-NE2 3.31Å; S405-H587 WeakPolarHBondContact CA-NE2 3.3Å; S405-H587 WeakPolarHBondContact CB-NE2 3.47Å; S405-H587 PolarHBondContact O-CD2 3.3Å; I409-H587 HydrophobicContact CD1-CB 4.49Å; I409-H587 HydrophobicContact CG1-CB 4.48Å; D576-H587 IonicContact OD2-CE1 3.36Å; D576-H587 IonicContact OD2-CG 3.8Å; D576-H587 PolarHBondContact OD2-N 3.19Å; D576-H587 IonicContact OD2-ND1 2.7Å; D576-H587 PolarHBondContact OD2-ND1 3.38Å; L584-H587 HydrophobicContact CB-CB 3.9Å; L584-H587 PolarHBondContact O-N 2.68Å; H587-T591 VanDerWaalsContact O-CB 3.28Å; H587-T591 WeakPolarHBondContact O-CB 3.39Å; H587-T591 PolarHBondContact O-N 3.39Å; H587-T591 PolarHBondContact O-OG1 3.48Å
588	R	98.1	Very high	97.3	Very high	6 Å²	6	23 Å²	23	2%	0.023	13%	0.126	C	C	.	.	H	α-helix	trans	-63.2	-43.1	174.1	-66.8	-173.5	-55.2	-129.9	6.8	112	V45 D47 L50 D499 T581 H583 L584 P585 R586 T591 R592	V45-R588 HydrophobicContact CG1-CB 4.02Å; V45-R588 HydrophobicContact CG1-CG 4.07Å; D47-R588 IonicContact OD2-NH1 2.72Å; L50-R588 HydrophobicContact CD1-CB 4.4Å; L50-R588 HydrophobicContact CD1-CG 3.54Å; D499-R588 IonicContact OD1-CZ 2.83Å; D499-R588 IonicContact OD1-NE 3Å; D499-R588 IonicContact OD1-NH2 3.96Å; D499-R588 PolarHBondContact OD1-NH2 3.48Å; D499-R588 IonicContact OD2-CZ 3.03Å; D499-R588 IonicContact OD2-NE 3.34Å; D499-R588 PolarHBondContact OD2-NE 2.89Å; D499-R588 IonicContact OD2-NH2 3.08Å; D499-R588 PolarHBondContact OD2-NH2 3.39Å; T581-R588 VanDerWaalsContact CB-NH2 3.3Å; T581-R588 PolarHBondContact O-NH1 3.35Å; T581-R588 PolarHBondContact O-NH2 3.38Å; T581-R588 PolarHBondContact OG1-NH2 3.43Å; H583-R588 PolarHBondContact O-NH1 3.15Å; L584-R588 WeakPolarHBondContact O-CG 3.29Å; L584-R588 PolarHBondContact O-N 2.91Å; P585-R588 PolarHBondContact O-N 3.45Å; R586-R588 VanDerWaalsContact C-N 3.31Å; R586-R588 PolarHBondContact O-N 3.16Å; R588-T591 WeakPolarHBondContact O-CB 3.3Å; R588-T591 PolarHBondContact O-N 3.42Å; R588-R592 WeakPolarHBondContact O-CG 3.46Å; R588-R592 PolarHBondContact O-N 3.47Å
589	L	97.9	Very high	97.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.4	-49.7	177.8	179.7	57.7	0	0	0	112	V496 P497 D499 F507 F549 P585 R586 T591 R592 L593	V496-L589 HydrophobicContact CG1-CD1 3.61Å; P497-L589 WeakPolarHBondContact O-CD1 3.23Å; D499-L589 HydrophobicContact CB-CB 4.21Å; F507-L589 HydrophobicContact CB-CD1 4.1Å; F507-L589 HydrophobicContact CD2-CD1 4.2Å; F507-L589 HydrophobicContact CD2-CD2 3.7Å; F507-L589 HydrophobicContact CD2-CG 4.29Å; F507-L589 HydrophobicContact CE2-CD2 3.78Å; F507-L589 HydrophobicContact CG-CD1 4.07Å; F507-L589 HydrophobicContact CG-CD2 4.35Å; F507-L589 HydrophobicContact CG-CG 4.47Å; F507-L589 HydrophobicContact CZ-CD2 4.47Å; F549-L589 HydrophobicContact CE2-CD2 4.12Å; F549-L589 HydrophobicContact CZ-CD2 3.77Å; P585-L589 WeakPolarHBondContact O-CB 3.24Å; P585-L589 PolarHBondContact O-N 3.45Å; R586-L589 VanDerWaalsContact NH1-CD2 3.27Å; R586-L589 PolarHBondContact O-N 2.92Å; L589-T591 PolarHBondContact O-N 2.91Å; L589-R592 PolarHBondContact O-N 2.89Å; L589-L593 PolarHBondContact O-N 3.04Å
590	I	98.1	Very high	97.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.3	-40.5	177.2	-66.3	-65.1	0	0	0	111.1	I409 P470 V471 F477 F549 R586 R592 L593 I594	I409-I590 HydrophobicContact CD1-CB 3.89Å; I409-I590 HydrophobicContact CD1-CG2 3.63Å; P470-I590 HydrophobicContact CB-CG2 4.05Å; V471-I590 HydrophobicContact CG2-CG1 4.18Å; F477-I590 HydrophobicContact CD2-CD1 4.47Å; F477-I590 HydrophobicContact CE2-CD1 4.06Å; F549-I590 HydrophobicContact CD2-CD1 3.84Å; F549-I590 HydrophobicContact CD2-CG1 3.85Å; F549-I590 HydrophobicContact CE2-CD1 3.66Å; F549-I590 HydrophobicContact CE2-CG1 3.81Å; R586-I590 WeakPolarHBondContact O-CG1 3.45Å; R586-I590 PolarHBondContact O-N 2.83Å; I590-R592 VanDerWaalsContact C-N 3.31Å; I590-R592 PolarHBondContact O-N 2.9Å; I590-L593 HydrophobicContact CD1-CD2 4.29Å; I590-L593 PolarHBondContact O-N 3.1Å; I590-L593 VanDerWaalsContact O-N 3.13Å; I590-I594 HydrophobicContact CG2-CD1 3.59Å; I590-I594 HydrophobicContact CG2-CG1 4.04Å; I590-I594 PolarHBondContact O-N 3.21Å
591	T	98.7	Very high	97.8	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-53.4	-49.2	173.2	-60.5	0	0	0	0	111.1	V45 E412 I413 H587 R588 L589 L593 L595	V45-T591 HydrophobicContact CB-CG2 4.43Å; V45-T591 HydrophobicContact CG1-CG2 3.89Å; V45-T591 HydrophobicContact CG2-CG2 3.67Å; E412-T591 HydrophobicContact CB-CG2 4.31Å; E412-T591 HydrophobicContact CG-CG2 3.86Å; I413-T591 HydrophobicContact CG1-CG2 3.96Å; H587-T591 VanDerWaalsContact O-CB 3.28Å; H587-T591 WeakPolarHBondContact O-CB 3.39Å; H587-T591 PolarHBondContact O-N 3.39Å; H587-T591 PolarHBondContact O-OG1 3.48Å; R588-T591 WeakPolarHBondContact O-CB 3.3Å; R588-T591 PolarHBondContact O-N 3.42Å; L589-T591 PolarHBondContact O-N 2.91Å; T591-L593 PolarHBondContact O-N 3.2Å; T591-L595 WeakPolarHBondContact O-CB 3.43Å; T591-L595 PolarHBondContact O-N 2.91Å
592	R	98.6	Very high	98	Very high	40 Å²	40	8.5 Å²	8.5	15%	0.151	4%	0.043	C	C	.	.	H	α-helix	trans	-64.6	-39.2	177.7	-67.8	176.7	-168.3	116.6	2.7	112.3	C42 V45 V496 D499 R588 L589 I590 T596	C42-R592 HydrophobicContact CB-CB 4.45Å; C42-R592 HydrophobicContact CB-CG 4Å; V45-R592 HydrophobicContact CB-CG 4.28Å; V45-R592 HydrophobicContact CG2-CG 3.8Å; V496-R592 HydrophobicContact CG1-CB 3.64Å; V496-R592 HydrophobicContact CG2-CB 4.11Å; D499-R592 IonicContact OD2-CZ 3.53Å; D499-R592 IonicContact OD2-NH1 2.78Å; D499-R592 PolarHBondContact OD2-NH1 3.41Å; D499-R592 IonicContact OD2-NH2 3.42Å; R588-R592 WeakPolarHBondContact O-CG 3.46Å; R588-R592 PolarHBondContact O-N 3.47Å; L589-R592 PolarHBondContact O-N 2.89Å; I590-R592 VanDerWaalsContact C-N 3.31Å; I590-R592 PolarHBondContact O-N 2.9Å; R592-T596 VanDerWaalsContact O-CB 3.25Å; R592-T596 WeakPolarHBondContact O-CB 3.5Å; R592-T596 PolarHBondContact O-N 2.79Å; R592-T596 PolarHBondContact O-OG1 2.94Å
593	L	98.6	Very high	98.1	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-63.7	-50.8	178.3	-177.8	64.8	0	0	0	111.9	F477 L489 A492 A493 F507 P547 L589 I590 T591 T596 L597	F477-L593 HydrophobicContact CE2-CD2 4.13Å; F477-L593 HydrophobicContact CZ-CD2 4.04Å; L489-L593 HydrophobicContact CD1-CD1 4.19Å; L489-L593 HydrophobicContact CD1-CD2 4.12Å; L489-L593 HydrophobicContact CD1-CG 4.32Å; A492-L593 HydrophobicContact CB-CD1 3.88Å; A493-L593 HydrophobicContact CB-CD1 4.2Å; F507-L593 HydrophobicContact CD1-CD1 4.42Å; F507-L593 HydrophobicContact CD1-CD2 4.24Å; F507-L593 HydrophobicContact CE1-CD2 3.91Å; P547-L593 HydrophobicContact CB-CD2 4.09Å; L589-L593 PolarHBondContact O-N 3.04Å; I590-L593 HydrophobicContact CD1-CD2 4.29Å; I590-L593 PolarHBondContact O-N 3.1Å; I590-L593 VanDerWaalsContact O-N 3.13Å; T591-L593 PolarHBondContact O-N 3.2Å; L593-T596 WeakPolarHBondContact O-CB 3.49Å; L593-T596 PolarHBondContact O-N 3.46Å; L593-L597 PolarHBondContact O-N 3.44Å
594	I	98.8	Very high	97.9	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-67.2	-43.1	-180	-65.9	177.2	0	0	0	110.6	M389 I409 I413 I465 I590 T596 L597 I598	M389-I594 HydrophobicContact CE-CD1 4.27Å; M389-I594 HydrophobicContact CE-CG2 3.86Å; M389-I594 HydrophobicContact CG-CG2 4.21Å; M389-I594 HydrophobicContact SD-CG2 3.51Å; M389-I594 VanDerWaalsContact SD-CG2 3.51Å; I409-I594 HydrophobicContact CG2-CD1 4.28Å; I413-I594 HydrophobicContact CD1-CB 3.87Å; I413-I594 HydrophobicContact CD1-CG2 3.6Å; I465-I594 HydrophobicContact CG2-CD1 4.45Å; I465-I594 HydrophobicContact CG2-CG1 4.28Å; I465-I594 HydrophobicContact CG2-CG2 3.86Å; I590-I594 HydrophobicContact CG2-CD1 3.59Å; I590-I594 HydrophobicContact CG2-CG1 4.04Å; I590-I594 PolarHBondContact O-N 3.21Å; I594-T596 VanDerWaalsContact C-N 3.27Å; I594-T596 PolarHBondContact O-N 2.99Å; I594-L597 WeakPolarHBondContact O-CB 3.26Å; I594-L597 PolarHBondContact O-N 3.17Å; I594-L597 VanDerWaalsContact O-N 3.16Å; I594-I598 HydrophobicContact CG2-CD1 3.92Å; I594-I598 HydrophobicContact CG2-CG1 4.36Å; I594-I598 WeakPolarHBondContact O-CG1 3.27Å; I594-I598 PolarHBondContact O-N 2.99Å
595	L	98.8	Very high	97.6	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-58.3	-42.3	174.3	-178.7	59.7	0	0	0	111.2	L41 I413 I416 L417 T591 L597 I598 I599	L41-L595 HydrophobicContact CB-CD2 3.96Å; I413-L595 HydrophobicContact CD1-CB 4.35Å; I413-L595 HydrophobicContact CG1-CB 4.34Å; I413-L595 HydrophobicContact CG2-CD1 4.39Å; I416-L595 HydrophobicContact CD1-CD2 4.28Å; I416-L595 HydrophobicContact CG2-CD2 4.07Å; L417-L595 HydrophobicContact CD1-CD1 4.47Å; L417-L595 HydrophobicContact CD2-CD1 3.86Å; L417-L595 HydrophobicContact CG-CD1 4.07Å; T591-L595 WeakPolarHBondContact O-CB 3.43Å; T591-L595 PolarHBondContact O-N 2.91Å; L595-L597 PolarHBondContact O-N 3Å; L595-I598 PolarHBondContact O-N 3.33Å; L595-I599 HydrophobicContact CD1-CG1 4.28Å; L595-I599 VanDerWaalsContact O-CG1 3.3Å; L595-I599 WeakPolarHBondContact O-CG1 3.42Å; L595-I599 PolarHBondContact O-N 3.38Å
596	T	98.7	Very high	97.4	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.006	4%	0.042	C	C	.	.	H	α-helix	trans	-62.2	-43	176	-61.7	0	0	0	0	111.8	W34 S38 A492 L495 V496 R592 L593 I594 I599 Q600	W34-T596 HydrophobicContact CZ3-CG2 3.91Å; S38-T596 WeakPolarHBondContact OG-CA 3.31Å; S38-T596 WeakPolarHBondContact OG-CB 3.3Å; S38-T596 PolarHBondContact OG-OG1 3.46Å; A492-T596 HydrophobicContact CB-CG2 3.71Å; L495-T596 HydrophobicContact CB-CG2 4.37Å; L495-T596 HydrophobicContact CD1-CG2 4.25Å; V496-T596 WeakPolarHBondContact CG2-OG1 3.27Å; R592-T596 VanDerWaalsContact O-CB 3.25Å; R592-T596 WeakPolarHBondContact O-CB 3.5Å; R592-T596 PolarHBondContact O-N 2.79Å; R592-T596 PolarHBondContact O-OG1 2.94Å; L593-T596 WeakPolarHBondContact O-CB 3.49Å; L593-T596 PolarHBondContact O-N 3.46Å; I594-T596 VanDerWaalsContact C-N 3.27Å; I594-T596 PolarHBondContact O-N 2.99Å; T596-I599 PolarHBondContact O-N 3.3Å; T596-Q600 VanDerWaalsContact O-CB 3.28Å; T596-Q600 WeakPolarHBondContact O-CB 3.44Å; T596-Q600 PolarHBondContact O-N 2.85Å
597	L	98.5	Very high	97.4	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-61.3	-47	174.6	-78.9	169.3	0	0	0	112	I465 L489 A492 T545 L593 I594 L595 I599 Q600 F601	I465-L597 HydrophobicContact CD1-CB 3.93Å; L489-L597 HydrophobicContact CD1-CD1 3.88Å; A492-L597 HydrophobicContact CB-CD2 3.85Å; A492-L597 HydrophobicContact CB-CG 3.82Å; T545-L597 HydrophobicContact CG2-CD1 4.27Å; L593-L597 PolarHBondContact O-N 3.44Å; I594-L597 WeakPolarHBondContact O-CB 3.26Å; I594-L597 PolarHBondContact O-N 3.17Å; I594-L597 VanDerWaalsContact O-N 3.16Å; L595-L597 PolarHBondContact O-N 3Å; L597-I599 VanDerWaalsContact C-N 3.34Å; L597-I599 PolarHBondContact O-N 3.36Å; L597-Q600 WeakPolarHBondContact O-CB 3.43Å; L597-Q600 PolarHBondContact O-N 3.43Å; L597-F601 HydrophobicContact CD2-CE2 4.48Å; L597-F601 WeakPolarHBondContact O-CD2 3.23Å; L597-F601 PolarHBondContact O-N 2.67Å
598	I	98.8	Very high	97.3	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.005	5%	0.046	C	C	.	.	H	α-helix	trans	-56.9	-50.5	177.4	-69	167.6	0	0	0	109.8	I387 M389 I413 L417 I431 I465 I594 L595 Q600 F601 A602	I387-I598 HydrophobicContact CG2-CG2 4.49Å; M389-I598 HydrophobicContact CB-CD1 4.01Å; M389-I598 HydrophobicContact CG-CD1 4.4Å; M389-I598 HydrophobicContact SD-CD1 3.73Å; I413-I598 HydrophobicContact CD1-CD1 4.41Å; I413-I598 HydrophobicContact CG2-CD1 3.84Å; L417-I598 HydrophobicContact CD1-CG2 4.32Å; I431-I598 HydrophobicContact CD1-CG2 3.78Å; I431-I598 HydrophobicContact CG1-CG2 4.06Å; I431-I598 HydrophobicContact CG2-CG2 3.88Å; I465-I598 HydrophobicContact CD1-CG1 3.7Å; I594-I598 HydrophobicContact CG2-CD1 3.92Å; I594-I598 HydrophobicContact CG2-CG1 4.36Å; I594-I598 WeakPolarHBondContact O-CG1 3.27Å; I594-I598 PolarHBondContact O-N 2.99Å; L595-I598 PolarHBondContact O-N 3.33Å; I598-Q600 PolarHBondContact O-N 3.28Å; I598-F601 PolarHBondContact O-N 3.47Å; I598-A602 WeakPolarHBondContact O-CB 3.46Å; I598-A602 PolarHBondContact O-N 3.06Å
599	I	98.5	Very high	97.2	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-65	-39	-179.8	-65	-59.9	0	0	0	111.7	W34 I37 L41 L417 F425 L595 T596 L597 A602 C603	W34-I599 HydrophobicContact CB-CG2 4.42Å; W34-I599 WeakPolarHBondContact O-CG2 3.43Å; I37-I599 HydrophobicContact CB-CG2 4.08Å; I37-I599 HydrophobicContact CG2-CD1 4.36Å; I37-I599 HydrophobicContact CG2-CG2 3.97Å; L41-I599 HydrophobicContact CD1-CD1 3.62Å; L41-I599 HydrophobicContact CD1-CG1 4.01Å; L417-I599 HydrophobicContact CD2-CD1 4.01Å; F425-I599 HydrophobicContact CE1-CD1 4.29Å; F425-I599 HydrophobicContact CZ-CD1 3.82Å; L595-I599 HydrophobicContact CD1-CG1 4.28Å; L595-I599 VanDerWaalsContact O-CG1 3.3Å; L595-I599 WeakPolarHBondContact O-CG1 3.42Å; L595-I599 PolarHBondContact O-N 3.38Å; T596-I599 PolarHBondContact O-N 3.3Å; L597-I599 VanDerWaalsContact C-N 3.34Å; L597-I599 PolarHBondContact O-N 3.36Å; I599-A602 PolarHBondContact O-N 3.09Å; I599-C603 HydrophobicContact CG2-CB 4.46Å; I599-C603 WeakPolarHBondContact O-CB 3.47Å; I599-C603 PolarHBondContact O-N 3.33Å
600	Q	97.9	Very high	97	Very high	5 Å²	5	9.4 Å²	9.4	2%	0.023	5%	0.052	C	C	.	.	H	α-helix	trans	-58.3	-52.9	175.4	-168.4	-177.9	4.9	0	0	110.7	W34 S488 T596 L597 I598 T604 P608	W34-Q600 HydrophobicContact CD2-CB 4.25Å; W34-Q600 HydrophobicContact CD2-CG 4.08Å; W34-Q600 HydrophobicContact CE3-CB 3.72Å; W34-Q600 HydrophobicContact CE3-CG 3.96Å; W34-Q600 HydrophobicContact CH2-CB 3.93Å; W34-Q600 HydrophobicContact CH2-CG 3.55Å; W34-Q600 HydrophobicContact CZ2-CB 4.46Å; W34-Q600 HydrophobicContact CZ2-CG 3.7Å; W34-Q600 HydrophobicContact CZ3-CB 3.54Å; W34-Q600 HydrophobicContact CZ3-CG 3.7Å; S488-Q600 PolarHBondContact O-OE1 3.26Å; S488-Q600 VanDerWaalsContact O-OE1 3.09Å; T596-Q600 VanDerWaalsContact O-CB 3.28Å; T596-Q600 WeakPolarHBondContact O-CB 3.44Å; T596-Q600 PolarHBondContact O-N 2.85Å; L597-Q600 WeakPolarHBondContact O-CB 3.43Å; L597-Q600 PolarHBondContact O-N 3.43Å; I598-Q600 PolarHBondContact O-N 3.28Å; Q600-T604 HydrophobicContact CG-CG2 4.01Å; Q600-T604 VanDerWaalsContact O-CB 3.25Å; Q600-T604 WeakPolarHBondContact O-CB 3.45Å; Q600-T604 WeakPolarHBondContact O-CG2 3.48Å; Q600-T604 PolarHBondContact O-N 2.8Å; Q600-T604 VanDerWaalsContact O-N 3.13Å; Q600-T604 PolarHBondContact O-OG1 2.81Å; Q600-P608 HydrophobicContact CG-CB 4.36Å; Q600-P608 HydrophobicContact CG-CG 3.99Å
601	F	98.1	Very high	96.9	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.009	5%	0.052	C	C	.	.	H	α-helix	trans	-69.3	-33	179.2	-84.9	-84.3	0	0	0	113.1	I387 R429 V462 V463 L485 S488 L597 I598 L607 P608 L609	I387-F601 HydrophobicContact CD1-CB 3.73Å; I387-F601 HydrophobicContact CG1-CB 3.99Å; I387-F601 HydrophobicContact CG2-CB 3.92Å; R429-F601 WeakPolarHBondContact CD-O 3.32Å; R429-F601 PolarHBondContact NH1-O 2.83Å; V462-F601 HydrophobicContact CG1-CD1 3.94Å; V462-F601 HydrophobicContact CG1-CE1 4.29Å; V463-F601 HydrophobicContact CB-CD1 4.26Å; V463-F601 HydrophobicContact CB-CE1 4.23Å; V463-F601 HydrophobicContact CG1-CB 4.15Å; V463-F601 HydrophobicContact CG1-CD1 3.83Å; V463-F601 HydrophobicContact CG1-CD2 4.15Å; V463-F601 HydrophobicContact CG1-CE1 4.29Å; V463-F601 HydrophobicContact CG1-CG 3.78Å; V463-F601 HydrophobicContact CG2-CE2 4.46Å; V463-F601 HydrophobicContact CG2-CZ 4.39Å; L485-F601 HydrophobicContact CD2-CE1 4.18Å; L485-F601 HydrophobicContact CD2-CE2 4.16Å; L485-F601 HydrophobicContact CD2-CZ 3.43Å; L485-F601 VanDerWaalsContact CD2-CZ 3.43Å; S488-F601 WeakPolarHBondContact OG-CE2 3.37Å; L597-F601 HydrophobicContact CD2-CE2 4.48Å; L597-F601 WeakPolarHBondContact O-CD2 3.23Å; L597-F601 PolarHBondContact O-N 2.67Å; I598-F601 PolarHBondContact O-N 3.47Å; F601-L607 HydrophobicContact CD1-CD2 4.04Å; F601-P608 HydrophobicContact CD1-CG 3.97Å; F601-P608 HydrophobicContact CD2-CG 4.13Å; F601-P608 HydrophobicContact CE1-CG 3.71Å; F601-P608 HydrophobicContact CE2-CG 3.87Å; F601-P608 HydrophobicContact CG-CG 4.16Å; F601-P608 HydrophobicContact CZ-CG 3.63Å; F601-L609 HydrophobicContact CE1-CD2 3.95Å; F601-L609 HydrophobicContact CE1-CG 4.26Å; F601-L609 HydrophobicContact CZ-CD2 4.26Å
602	A	98	Very high	96.8	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-80.9	-24	-176.4	0	0	0	0	0	113.8	I387 P427 R428 R429 I431 I598 I599	I387-A602 HydrophobicContact CG1-CB 4.14Å; P427-A602 HydrophobicContact CB-CB 4.03Å; R428-A602 WeakPolarHBondContact CA-O 3.26Å; R428-A602 VanDerWaalsContact CB-O 3.27Å; R428-A602 WeakPolarHBondContact CB-O 3.21Å; R428-A602 PolarHBondContact N-O 3Å; R429-A602 PolarHBondContact N-O 3.21Å; R429-A602 VanDerWaalsContact N-O 3.09Å; I431-A602 HydrophobicContact CD1-CB 3.81Å; I431-A602 HydrophobicContact CG1-CB 3.74Å; I598-A602 WeakPolarHBondContact O-CB 3.46Å; I598-A602 PolarHBondContact O-N 3.06Å; I599-A602 PolarHBondContact O-N 3.09Å
603	C	95.8	Very high	96.6	Very high	23 Å²	23	12.5 Å²	12.5	16%	0.155	7%	0.067	C	C	.	.	H	α-helix	trans	-119.7	-20.9	-170.2	-60.9	0	0	0	0	114.8	W34 I599	W34-C603 HydrophobicContact CB-CB 3.85Å; I599-C603 HydrophobicContact CG2-CB 4.46Å; I599-C603 WeakPolarHBondContact O-CB 3.47Å; I599-C603 PolarHBondContact O-N 3.33Å
604	T	93.4	Very high	96.5	Very high	10 Å²	10	12.6 Å²	12.6	6%	0.061	7%	0.067	C	C	.	.			trans	-65.2	135.9	-179.6	47.7	0	0	0	0	112.3	W34 R429 Q600 R606	W34-T604 HydrophobicContact CB-CG2 4.43Å; W34-T604 HydrophobicContact CD2-CG2 4.06Å; W34-T604 HydrophobicContact CG-CG2 3.67Å; R429-T604 PolarHBondContact NH1-O 3.23Å; R429-T604 PolarHBondContact NH2-O 2.87Å; R429-T604 VanDerWaalsContact NH2-O 3.12Å; Q600-T604 HydrophobicContact CG-CG2 4.01Å; Q600-T604 VanDerWaalsContact O-CB 3.25Å; Q600-T604 WeakPolarHBondContact O-CB 3.45Å; Q600-T604 WeakPolarHBondContact O-CG2 3.48Å; Q600-T604 PolarHBondContact O-N 2.8Å; Q600-T604 VanDerWaalsContact O-N 3.13Å; Q600-T604 PolarHBondContact O-OG1 2.81Å; T604-R606 VanDerWaalsContact CB-O 3.29Å; T604-R606 WeakPolarHBondContact CB-O 3.36Å; T604-R606 PolarHBondContact OG1-O 3.04Å
605	P	92.3	Very high	96.4	Very high	42 Å²	42	12.6 Å²	12.6	27%	0.273	7%	0.067	S	C	.	.	S	Bend	trans	-58.9	-48.4	173.5	-25.8	35.1	0	0	0	112.5	Y31 R429 F674 N679	Y31-P605 HydrophobicContact CE1-CG 4.36Å; R429-P605 PolarHBondContact NH2-O 2.98Å; P605-F674 HydrophobicContact CB-CB 4.04Å; P605-N679 PolarHBondContact O-ND2 3.29Å
606	R	93	Very high	96.3	Very high	26 Å²	26	15.5 Å²	15.5	10%	0.098	8%	0.081	C	C	.	.	S	Bend	trans	-97.8	128.3	172.9	177.5	178.7	176.6	-173	-1.4	109.8	T604 E661 N665 E668 F674 L682	T604-R606 VanDerWaalsContact CB-O 3.29Å; T604-R606 WeakPolarHBondContact CB-O 3.36Å; T604-R606 PolarHBondContact OG1-O 3.04Å; R606-E661 IonicContact CZ-OE1 2.72Å; R606-E661 IonicContact NH1-OE1 3.49Å; R606-E661 IonicContact NH2-OE1 2.83Å; R606-E661 PolarHBondContact NH2-OE1 2.99Å; R606-E661 IonicContact NH2-OE2 3Å; R606-E661 PolarHBondContact NH2-OE2 2.94Å; R606-N665 PolarHBondContact NH1-OD1 2.83Å; R606-E668 IonicContact NH1-OE2 3.7Å; R606-E668 PolarHBondContact NH1-OE2 2.55Å; R606-E668 VanDerWaalsContact NH1-OE2 3.11Å; R606-F674 HydrophobicContact CB-CD1 3.96Å; R606-F674 HydrophobicContact CB-CD2 4.01Å; R606-F674 HydrophobicContact CB-CE1 4.06Å; R606-F674 HydrophobicContact CB-CE2 4.13Å; R606-F674 HydrophobicContact CB-CG 3.92Å; R606-F674 HydrophobicContact CB-CZ 4.16Å; R606-F674 HydrophobicContact CG-CD1 4.32Å; R606-F674 HydrophobicContact CG-CD2 4.36Å; R606-F674 HydrophobicContact CG-CE1 3.9Å; R606-F674 HydrophobicContact CG-CE2 3.96Å; R606-F674 HydrophobicContact CG-CZ 3.71Å; R606-L682 HydrophobicContact CG-CD1 4.38Å
607	L	95.8	Very high	96.1	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.09	C	C	.	.			trans	-60.5	132.9	175.8	-76.7	171.8	0	0	0	111	V462 F601 L609 N679 L682 V683	V462-L607 HydrophobicContact CG1-CD1 3.87Å; V462-L607 HydrophobicContact CG1-CD2 3.66Å; V462-L607 HydrophobicContact CG1-CG 4.4Å; V462-L607 HydrophobicContact CG2-CD1 4.49Å; F601-L607 HydrophobicContact CD1-CD2 4.04Å; L607-L609 HydrophobicContact CB-CD1 4.29Å; L607-L609 HydrophobicContact CB-CG 4.35Å; L607-L609 HydrophobicContact CD1-CD1 4.38Å; L607-L609 PolarHBondContact O-N 3.03Å; L607-N679 HydrophobicContact CD1-CB 3.97Å; L607-N679 HydrophobicContact CG-CB 4.32Å; L607-N679 PolarHBondContact N-OD1 3.46Å; L607-L682 HydrophobicContact CB-CD1 3.89Å; L607-V683 HydrophobicContact CD1-CG2 3.35Å
608	P	96.1	Very high	96	Very high	23 Å²	23	16.8 Å²	16.8	15%	0.149	9%	0.09	C	C	.	.			trans	-81.1	50.3	-175.4	37.4	-40.9	0	0	0	111.9	Q600 F601	Q600-P608 HydrophobicContact CG-CB 4.36Å; Q600-P608 HydrophobicContact CG-CG 3.99Å; F601-P608 HydrophobicContact CD1-CG 3.97Å; F601-P608 HydrophobicContact CD2-CG 4.13Å; F601-P608 HydrophobicContact CE1-CG 3.71Å; F601-P608 HydrophobicContact CE2-CG 3.87Å; F601-P608 HydrophobicContact CG-CG 4.16Å; F601-P608 HydrophobicContact CZ-CG 3.63Å
609	L	97.1	Very high	95.9	Very high	8 Å²	8	17.7 Å²	17.7	4%	0.042	10%	0.095	C	C	.	.			trans	-96.6	126.1	-179.6	-68.8	171.8	0	0	0	110.8	L484 L485 F601 L607 I611 L682	L484-L609 HydrophobicContact CB-CD2 4.29Å; L485-L609 HydrophobicContact CD2-CD2 3.76Å; F601-L609 HydrophobicContact CE1-CD2 3.95Å; F601-L609 HydrophobicContact CE1-CG 4.26Å; F601-L609 HydrophobicContact CZ-CD2 4.26Å; L607-L609 HydrophobicContact CB-CD1 4.29Å; L607-L609 HydrophobicContact CB-CG 4.35Å; L607-L609 HydrophobicContact CD1-CD1 4.38Å; L607-L609 PolarHBondContact O-N 3.03Å; L609-I611 PolarHBondContact O-N 3.24Å; L609-L682 HydrophobicContact CD1-CB 3.97Å
610	S	94.5	Very high	95.8	Very high	15 Å²	15	20.9 Å²	20.9	11%	0.105	11%	0.112	C	C	.	.			trans	-99.6	73.4	-169.7	-52.1	0	0	0	0	111.8	L484 D487 L612 R613 C614	L484-S610 PolarHBondContact O-N 3.02Å; D487-S610 VanDerWaalsContact CB-OG 3.28Å; D487-S610 WeakPolarHBondContact CB-OG 3.37Å; D487-S610 WeakPolarHBondContact OD2-CB 3.34Å; D487-S610 PolarHBondContact OD2-OG 3.21Å; D487-S610 VanDerWaalsContact OD2-OG 3.05Å; S610-L612 VanDerWaalsContact C-N 3.34Å; S610-L612 PolarHBondContact O-N 3.34Å; S610-R613 PolarHBondContact O-N 2.71Å; S610-C614 PolarHBondContact O-N 3.08Å
611	I	95.7	Very high	95.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.3	-43.7	-174.8	-52	174.7	0	0	0	111.2	L484 L609 R613 C614 S615 F653 S657 F660 L682 V685 L763	L484-I611 HydrophobicContact CD2-CG1 4.39Å; L609-I611 PolarHBondContact O-N 3.24Å; I611-R613 VanDerWaalsContact C-N 3.34Å; I611-R613 PolarHBondContact O-N 3.15Å; I611-C614 WeakPolarHBondContact O-CB 3.28Å; I611-C614 PolarHBondContact O-N 3.43Å; I611-S615 PolarHBondContact O-N 3.07Å; I611-F653 HydrophobicContact CG2-CE2 3.93Å; I611-F653 HydrophobicContact CG2-CZ 3.85Å; I611-S657 VanDerWaalsContact CG2-OG 3.28Å; I611-S657 WeakPolarHBondContact CG2-OG 3.45Å; I611-F660 HydrophobicContact CD1-CD1 4.02Å; I611-F660 HydrophobicContact CD1-CE1 4.21Å; I611-L682 HydrophobicContact CD1-CD2 3.27Å; I611-L682 HydrophobicContact CG1-CD2 3.99Å; I611-V685 HydrophobicContact CD1-CG2 3.66Å; I611-V685 HydrophobicContact CG1-CG2 4.1Å; I611-V685 HydrophobicContact CG2-CG1 4.29Å; I611-V685 HydrophobicContact CG2-CG2 4.47Å; I611-L763 HydrophobicContact CD1-CD2 4.19Å; I611-L763 HydrophobicContact CG2-CD1 4.05Å
612	L	96.3	Very high	95.6	Very high	48 Å²	48	22.4 Å²	22.4	25%	0.251	12%	0.12	S	C	.	.	H	α-helix	trans	-60.4	-44.5	178.8	-178.1	62.6	0	0	0	111.5	S610 S615 Q616 K654 Q658	S610-L612 VanDerWaalsContact C-N 3.34Å; S610-L612 PolarHBondContact O-N 3.34Å; L612-S615 PolarHBondContact O-N 3.48Å; L612-S615 PolarHBondContact O-OG 3.25Å; L612-Q616 PolarHBondContact O-N 2.93Å; L612-K654 HydrophobicContact CD1-CG 4.36Å; L612-Q658 HydrophobicContact CD1-CB 4.15Å
613	R	95.1	Very high	95.6	Very high	57 Å²	57	26.2 Å²	26.2	22%	0.215	14%	0.14	C	C	.	.	H	α-helix	trans	-62.2	-44.6	175.3	-179.2	168.3	-81.8	-143.7	-14.8	111.4	I486 D487 E521 S610 I611 S615 Q616 C617	I486-R613 HydrophobicContact CD1-CG 4.31Å; D487-R613 WeakPolarHBondContact OD1-CD 3.49Å; D487-R613 IonicContact OD1-CZ 3.47Å; D487-R613 IonicContact OD1-NE 2.86Å; D487-R613 PolarHBondContact OD1-NE 3.13Å; D487-R613 IonicContact OD1-NH1 3.74Å; D487-R613 PolarHBondContact OD1-NH1 2.8Å; D487-R613 IonicContact OD1-NH2 2.71Å; D487-R613 IonicContact OD2-NE 3.59Å; D487-R613 PolarHBondContact OD2-NE 3.23Å; E521-R613 IonicContact OE1-NH2 3.57Å; E521-R613 PolarHBondContact OE1-NH2 3.13Å; E521-R613 IonicContact OE2-CZ 2.79Å; E521-R613 IonicContact OE2-NH1 2.69Å; E521-R613 PolarHBondContact OE2-NH1 3.49Å; E521-R613 IonicContact OE2-NH2 3.68Å; E521-R613 PolarHBondContact OE2-NH2 2.86Å; S610-R613 PolarHBondContact O-N 2.71Å; I611-R613 VanDerWaalsContact C-N 3.34Å; I611-R613 PolarHBondContact O-N 3.15Å; R613-S615 VanDerWaalsContact C-N 3.34Å; R613-S615 PolarHBondContact O-N 2.9Å; R613-Q616 WeakPolarHBondContact O-CB 3.47Å; R613-Q616 PolarHBondContact O-N 2.87Å; R613-Q616 VanDerWaalsContact O-N 3.14Å; R613-C617 PolarHBondContact O-N 3.16Å; R613-C617 PolarHBondContact O-SG 2.99Å; R613-C617 VanDerWaalsContact O-SG 3.36Å
614	C	95.8	Very high	95.7	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.007	16%	0.159	C	C	.	.	H	α-helix	trans	-55.3	-47.9	173.6	177.6	0	0	0	0	112.1	S483 L484 S610 I611 Q616 C617 L618	S483-C614 PolarHBondContact OG-SG 3.2Å; L484-C614 HydrophobicContact CD2-CB 3.49Å; L484-C614 VanDerWaalsContact CD2-CB 3.49Å; L484-C614 HydrophobicContact CG-CB 3.84Å; S610-C614 PolarHBondContact O-N 3.08Å; I611-C614 WeakPolarHBondContact O-CB 3.28Å; I611-C614 PolarHBondContact O-N 3.43Å; C614-Q616 VanDerWaalsContact C-N 3.27Å; C614-Q616 PolarHBondContact O-N 3.13Å; C614-C617 PolarHBondContact O-N 2.95Å; C614-L618 WeakPolarHBondContact O-CB 3.44Å; C614-L618 WeakPolarHBondContact O-CG 3.48Å; C614-L618 PolarHBondContact O-N 3.29Å
615	S	96.9	Very high	95.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.1	-33.3	178	78.5	0	0	0	0	113.2	I611 L612 R613 L619 F653 K654	I611-S615 PolarHBondContact O-N 3.07Å; L612-S615 PolarHBondContact O-N 3.48Å; L612-S615 PolarHBondContact O-OG 3.25Å; R613-S615 VanDerWaalsContact C-N 3.34Å; R613-S615 PolarHBondContact O-N 2.9Å; S615-L619 WeakPolarHBondContact O-CB 3.47Å; S615-L619 PolarHBondContact O-N 3.06Å; S615-L619 VanDerWaalsContact O-N 3.13Å; S615-F653 VanDerWaalsContact CB-CE1 3.44Å; S615-K654 WeakPolarHBondContact OG-CA 3.33Å; S615-K654 WeakPolarHBondContact OG-CG 3.16Å
616	Q	96.5	Very high	96.1	Very high	62 Å²	62	30.2 Å²	30.2	29%	0.29	15%	0.15	S	C	.	.	H	α-helix	trans	-70.5	-46.7	174.5	-177.1	60.6	53.4	0	0	111.6	L612 R613 C614 L618 L619 D620	L612-Q616 PolarHBondContact O-N 2.93Å; R613-Q616 WeakPolarHBondContact O-CB 3.47Å; R613-Q616 PolarHBondContact O-N 2.87Å; R613-Q616 VanDerWaalsContact O-N 3.14Å; C614-Q616 VanDerWaalsContact C-N 3.27Å; C614-Q616 PolarHBondContact O-N 3.13Å; Q616-L618 VanDerWaalsContact C-N 3.28Å; Q616-L618 PolarHBondContact O-N 3.16Å; Q616-L619 WeakPolarHBondContact O-CB 3.18Å; Q616-L619 PolarHBondContact O-N 3.45Å; Q616-L619 VanDerWaalsContact O-N 3.15Å; Q616-D620 VanDerWaalsContact NE2-CG 3.32Å; Q616-D620 PolarHBondContact NE2-OD1 3.05Å; Q616-D620 PolarHBondContact NE2-OD2 2.93Å; Q616-D620 VanDerWaalsContact O-CG 3.3Å; Q616-D620 PolarHBondContact O-N 3.3Å
617	C	94.5	Very high	96.3	Very high	29 Å²	29	35.7 Å²	35.7	20%	0.196	18%	0.177	C	C	.	.	H	α-helix	trans	-57.7	-44	176.7	-66	0	0	0	0	111.5	R613 C614 L619 D620 D621	R613-C617 PolarHBondContact O-N 3.16Å; R613-C617 PolarHBondContact O-SG 2.99Å; R613-C617 VanDerWaalsContact O-SG 3.36Å; C614-C617 PolarHBondContact O-N 2.95Å; C617-L619 PolarHBondContact O-N 3Å; C617-D620 PolarHBondContact O-N 3.45Å; C617-D621 PolarHBondContact O-N 3.45Å
618	L	95.4	Very high	96.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-56.2	-46.8	174.4	-86.5	161	0	0	0	112.9	C614 Q616 W622 I650 F653 F689 I704 Y714 F715	C614-L618 WeakPolarHBondContact O-CB 3.44Å; C614-L618 WeakPolarHBondContact O-CG 3.48Å; C614-L618 PolarHBondContact O-N 3.29Å; Q616-L618 VanDerWaalsContact C-N 3.28Å; Q616-L618 PolarHBondContact O-N 3.16Å; L618-W622 WeakPolarHBondContact O-CB 3.23Å; L618-W622 PolarHBondContact O-N 3Å; L618-I650 HydrophobicContact CB-CG2 4.38Å; L618-F653 HydrophobicContact CD1-CD1 4.11Å; L618-F653 HydrophobicContact CD1-CE1 3.59Å; L618-F689 HydrophobicContact CD1-CZ 4Å; L618-I704 HydrophobicContact CD2-CB 4.47Å; L618-I704 HydrophobicContact CD2-CD1 4.08Å; L618-I704 HydrophobicContact CD2-CG1 4.42Å; L618-I704 HydrophobicContact CD2-CG2 3.29Å; L618-I704 HydrophobicContact CG-CG2 4.29Å; L618-Y714 HydrophobicContact CD2-CD1 4.46Å; L618-F715 HydrophobicContact CD2-CE1 4.14Å; L618-F715 HydrophobicContact CD2-CZ 3.7Å
619	L	97.7	Very high	96.3	Very high	20 Å²	20	38.3 Å²	38.3	11%	0.105	19%	0.189	C	C	.	.	H	α-helix	trans	-62.1	-47.3	177.7	179.9	61	0	0	0	111.5	S615 Q616 C617 D621 W622 L623 L647 I650 K654	S615-L619 WeakPolarHBondContact O-CB 3.47Å; S615-L619 PolarHBondContact O-N 3.06Å; S615-L619 VanDerWaalsContact O-N 3.13Å; Q616-L619 WeakPolarHBondContact O-CB 3.18Å; Q616-L619 PolarHBondContact O-N 3.45Å; Q616-L619 VanDerWaalsContact O-N 3.15Å; C617-L619 PolarHBondContact O-N 3Å; L619-D621 PolarHBondContact O-N 2.83Å; L619-W622 PolarHBondContact O-N 3.27Å; L619-L623 HydrophobicContact CD1-CD1 4.22Å; L619-L623 HydrophobicContact CD1-CG 4.29Å; L619-L623 HydrophobicContact CG-CD1 4.15Å; L619-L623 VanDerWaalsContact O-CG 3.32Å; L619-L623 WeakPolarHBondContact O-CG 3.48Å; L619-L623 PolarHBondContact O-N 2.98Å; L619-L647 HydrophobicContact CD1-CD1 3.47Å; L619-L647 VanDerWaalsContact CD1-CD1 3.47Å; L619-I650 HydrophobicContact CB-CG2 3.77Å; L619-I650 HydrophobicContact CD1-CG2 4.05Å; L619-I650 HydrophobicContact CG-CG2 4.5Å; L619-K654 HydrophobicContact CD2-CD 4.18Å
620	D	95.8	Very high	96.1	Very high	67 Å²	67	41.3 Å²	41.3	36%	0.358	21%	0.208	S	C	.	.	H	α-helix	trans	-63.6	-41.2	-178.4	-65.1	-24.3	0	0	0	112	Q616 C617 K624	Q616-D620 VanDerWaalsContact NE2-CG 3.32Å; Q616-D620 PolarHBondContact NE2-OD1 3.05Å; Q616-D620 PolarHBondContact NE2-OD2 2.93Å; Q616-D620 VanDerWaalsContact O-CG 3.3Å; Q616-D620 PolarHBondContact O-N 3.3Å; C617-D620 PolarHBondContact O-N 3.45Å; D620-K624 WeakPolarHBondContact O-CG 3.41Å; D620-K624 PolarHBondContact O-N 2.67Å
621	D	95.2	Very high	96.1	Very high	39 Å²	39	47.9 Å²	47.9	21%	0.209	24%	0.237	C	C	.	.	H	α-helix	trans	-70.4	-35.7	176.5	-96.8	-84.5	0	0	0	112.7	C617 L619 F625 Y714 F715	C617-D621 PolarHBondContact O-N 3.45Å; L619-D621 PolarHBondContact O-N 2.83Å; D621-F625 PolarHBondContact O-N 2.79Å; D621-F625 VanDerWaalsContact O-N 3.09Å; D621-Y714 HydrophobicContact CB-CD2 4.15Å; D621-Y714 HydrophobicContact CB-CG 4.03Å; D621-Y714 VanDerWaalsContact CG-CD2 3.46Å; D621-Y714 WeakPolarHBondContact OD2-CD2 3.26Å; D621-F715 HydrophobicContact CB-CE2 4.32Å
622	W	97.7	Very high	96	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-67.6	-42.5	176.3	-172.8	-107.6	0	0	0	112.1	L618 L619 K624 F625 M626 L643 V646 I650 F715 V718 L749	L618-W622 WeakPolarHBondContact O-CB 3.23Å; L618-W622 PolarHBondContact O-N 3Å; L619-W622 PolarHBondContact O-N 3.27Å; W622-K624 VanDerWaalsContact C-N 3.35Å; W622-K624 PolarHBondContact O-N 3.2Å; W622-F625 AromaticContact CE3-CD1 3.94Å; W622-F625 HydrophobicContact CE3-CD1 3.94Å; W622-F625 AromaticContact CH2-CD1 3.76Å; W622-F625 HydrophobicContact CH2-CD1 3.76Å; W622-F625 AromaticContact CH2-CE1 3.87Å; W622-F625 HydrophobicContact CH2-CE1 3.87Å; W622-F625 HydrophobicContact CZ2-CD1 4.38Å; W622-F625 AromaticContact CZ3-CD1 3.53Å; W622-F625 HydrophobicContact CZ3-CD1 3.53Å; W622-F625 AromaticContact CZ3-CE1 3.9Å; W622-F625 HydrophobicContact CZ3-CE1 3.9Å; W622-F625 CarbonylContact O-C 3.57Å; W622-F625 WeakPolarHBondContact O-CA 3.29Å; W622-F625 WeakPolarHBondContact O-CB 3.44Å; W622-F625 PolarHBondContact O-N 2.74Å; W622-M626 VanDerWaalsContact CD1-SD 3.59Å; W622-M626 PolarHBondContact NE1-SD 3.11Å; W622-M626 VanDerWaalsContact NE1-SD 3.35Å; W622-M626 WeakPolarHBondContact O-CG 3.43Å; W622-M626 PolarHBondContact O-N 2.81Å; W622-L643 HydrophobicContact CH2-CD2 4.36Å; W622-L643 HydrophobicContact CZ2-CB 4.18Å; W622-L643 HydrophobicContact CZ2-CD2 4.08Å; W622-L643 PolarHBondContact NE1-O 3.25Å; W622-V646 HydrophobicContact CD2-CB 4.27Å; W622-V646 HydrophobicContact CD2-CG1 3.63Å; W622-V646 VanDerWaalsContact CE2-CB 3.49Å; W622-V646 HydrophobicContact CE3-CG1 3.9Å; W622-V646 HydrophobicContact CG-CG1 4.3Å; W622-V646 HydrophobicContact CH2-CB 3.93Å; W622-V646 HydrophobicContact CH2-CG1 3.8Å; W622-V646 HydrophobicContact CH2-CG2 3.92Å; W622-V646 HydrophobicContact CZ2-CB 3.33Å; W622-V646 HydrophobicContact CZ2-CG1 3.51Å; W622-V646 HydrophobicContact CZ2-CG2 3.69Å; W622-V646 HydrophobicContact CZ3-CG1 3.97Å; W622-I650 HydrophobicContact CB-CD1 3.45Å; W622-I650 VanDerWaalsContact CB-CD1 3.45Å; W622-I650 HydrophobicContact CD2-CD1 4.16Å; W622-I650 HydrophobicContact CG-CD1 3.54Å; W622-F715 HydrophobicContact CB-CE2 4.06Å; W622-F715 HydrophobicContact CB-CZ 4.18Å; W622-F715 HydrophobicContact CE3-CD1 4.14Å; W622-F715 AromaticContact CE3-CD2 3.86Å; W622-F715 HydrophobicContact CE3-CD2 3.86Å; W622-F715 HydrophobicContact CE3-CE1 4Å; W622-F715 AromaticContact CE3-CE2 3.75Å; W622-F715 HydrophobicContact CE3-CE2 3.75Å; W622-F715 HydrophobicContact CE3-CG 4.06Å; W622-F715 AromaticContact CE3-CZ 3.81Å; W622-F715 HydrophobicContact CE3-CZ 3.81Å; W622-F715 HydrophobicContact CZ3-CD1 4.23Å; W622-F715 HydrophobicContact CZ3-CD2 4.39Å; W622-F715 HydrophobicContact CZ3-CE1 4.46Å; W622-F715 HydrophobicContact CZ3-CG 4.18Å; W622-V718 HydrophobicContact CH2-CG1 4.43Å; W622-V718 HydrophobicContact CZ3-CG1 4.31Å; W622-L749 HydrophobicContact CH2-CD2 3.62Å; W622-L749 HydrophobicContact CZ2-CD2 4.38Å
623	L	98.2	Very high	95.8	Very high	79 Å²	79	49 Å²	49	41%	0.414	24%	0.24	S	C	.	.	H	α-helix	trans	-60.1	-43.6	176.9	-72	171.4	0	0	0	111.9	L619 F625 M626 E627 L647	L619-L623 HydrophobicContact CD1-CD1 4.22Å; L619-L623 HydrophobicContact CD1-CG 4.29Å; L619-L623 HydrophobicContact CG-CD1 4.15Å; L619-L623 VanDerWaalsContact O-CG 3.32Å; L619-L623 WeakPolarHBondContact O-CG 3.48Å; L619-L623 PolarHBondContact O-N 2.98Å; L623-F625 VanDerWaalsContact C-N 3.28Å; L623-F625 PolarHBondContact O-N 3.28Å; L623-M626 PolarHBondContact O-N 3.41Å; L623-E627 PolarHBondContact O-N 3.38Å; L623-L647 HydrophobicContact CD2-CD1 3.92Å; L623-L647 HydrophobicContact CD2-CD2 4.49Å; L623-L647 HydrophobicContact CG-CD1 4.49Å
624	K	96.3	Very high	95.6	Very high	129 Å²	129	50.9 Å²	50.9	56%	0.561	26%	0.26	S	S	*	.	H	α-helix	trans	-60.8	-38.1	173.3	-68.9	168.7	-168.7	162.3	0	112.1	D620 W622 L628	D620-K624 WeakPolarHBondContact O-CG 3.41Å; D620-K624 PolarHBondContact O-N 2.67Å; W622-K624 VanDerWaalsContact C-N 3.35Å; W622-K624 PolarHBondContact O-N 3.2Å; K624-L628 PolarHBondContact O-N 3.4Å; K624-L628 VanDerWaalsContact O-N 3.08Å
625	F	96.6	Very high	95.2	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.018	27%	0.269	C	S	.	.	H	α-helix	trans	-69	-41.7	177.1	-179.9	-111.2	0	0	0	112	D621 W622 L623 E627 L628 V629 V718 K719 F722 F745	D621-F625 PolarHBondContact O-N 2.79Å; D621-F625 VanDerWaalsContact O-N 3.09Å; W622-F625 AromaticContact CE3-CD1 3.94Å; W622-F625 HydrophobicContact CE3-CD1 3.94Å; W622-F625 AromaticContact CH2-CD1 3.76Å; W622-F625 HydrophobicContact CH2-CD1 3.76Å; W622-F625 AromaticContact CH2-CE1 3.87Å; W622-F625 HydrophobicContact CH2-CE1 3.87Å; W622-F625 HydrophobicContact CZ2-CD1 4.38Å; W622-F625 AromaticContact CZ3-CD1 3.53Å; W622-F625 HydrophobicContact CZ3-CD1 3.53Å; W622-F625 AromaticContact CZ3-CE1 3.9Å; W622-F625 HydrophobicContact CZ3-CE1 3.9Å; W622-F625 CarbonylContact O-C 3.57Å; W622-F625 WeakPolarHBondContact O-CA 3.29Å; W622-F625 WeakPolarHBondContact O-CB 3.44Å; W622-F625 PolarHBondContact O-N 2.74Å; L623-F625 VanDerWaalsContact C-N 3.28Å; L623-F625 PolarHBondContact O-N 3.28Å; F625-E627 VanDerWaalsContact C-N 3.33Å; F625-E627 PolarHBondContact O-N 3.01Å; F625-L628 HydrophobicContact CD2-CD2 4.37Å; F625-L628 WeakPolarHBondContact O-CB 3.42Å; F625-L628 PolarHBondContact O-N 2.89Å; F625-V629 HydrophobicContact CD1-CG2 4.15Å; F625-V629 HydrophobicContact CD2-CG2 4.07Å; F625-V629 HydrophobicContact CE1-CG2 3.67Å; F625-V629 HydrophobicContact CE2-CG2 3.58Å; F625-V629 HydrophobicContact CG-CG2 4.34Å; F625-V629 HydrophobicContact CZ-CG2 3.36Å; F625-V629 VanDerWaalsContact O-CG2 3.3Å; F625-V629 WeakPolarHBondContact O-CG2 3.13Å; F625-V629 PolarHBondContact O-N 3.4Å; F625-V718 HydrophobicContact CD1-CG1 4.48Å; F625-V718 HydrophobicContact CE1-CG1 3.52Å; F625-V718 HydrophobicContact CZ-CG1 3.64Å; F625-K719 HydrophobicContact CD2-CD 4.46Å; F625-K719 HydrophobicContact CD2-CG 3.8Å; F625-K719 HydrophobicContact CE2-CG 3.66Å; F625-K719 HydrophobicContact CZ-CG 4.47Å; F625-F722 HydrophobicContact CE2-CB 4.38Å; F625-F722 HydrophobicContact CE2-CD1 4.17Å; F625-F722 HydrophobicContact CE2-CG 4.33Å; F625-F722 HydrophobicContact CZ-CB 4.1Å; F625-F722 HydrophobicContact CZ-CD1 4.47Å; F625-F722 HydrophobicContact CZ-CG 4.19Å; F625-F745 HydrophobicContact CZ-CE2 4.21Å; F625-F745 HydrophobicContact CZ-CZ 4.42Å
626	M	97.3	Very high	94.9	Very high	27 Å²	27	53 Å²	53	13%	0.133	27%	0.272	C	S	.	.	H	α-helix	trans	-59	-43.8	174.3	-72.3	-179.6	65.6	0	0	112	W622 L623 V629 T630 L643 D644 L647	W622-M626 VanDerWaalsContact CD1-SD 3.59Å; W622-M626 PolarHBondContact NE1-SD 3.11Å; W622-M626 VanDerWaalsContact NE1-SD 3.35Å; W622-M626 WeakPolarHBondContact O-CG 3.43Å; W622-M626 PolarHBondContact O-N 2.81Å; L623-M626 PolarHBondContact O-N 3.41Å; M626-V629 PolarHBondContact O-N 3.37Å; M626-T630 WeakPolarHBondContact O-CB 3.48Å; M626-T630 VanDerWaalsContact O-CG2 3.32Å; M626-T630 WeakPolarHBondContact O-CG2 3.49Å; M626-T630 PolarHBondContact O-N 2.65Å; M626-T630 PolarHBondContact O-OG1 3Å; M626-L643 HydrophobicContact CB-CD1 4.43Å; M626-L643 HydrophobicContact CE-CB 4.11Å; M626-L643 HydrophobicContact CG-CB 4Å; M626-L643 HydrophobicContact CG-CD1 4.09Å; M626-L643 HydrophobicContact SD-CB 4.39Å; M626-D644 VanDerWaalsContact CE-OD1 3.26Å; M626-D644 WeakPolarHBondContact CE-OD1 3.39Å; M626-L647 HydrophobicContact CE-CD2 4.27Å; M626-L647 HydrophobicContact SD-CB 4.08Å; M626-L647 HydrophobicContact SD-CD2 4.11Å
627	E	97	Very high	94.6	Very high	141 Å²	141	54.2 Å²	54.2	66%	0.659	29%	0.287	S	S	*	.	H	α-helix	trans	-60.4	-45.2	175.4	-173.8	-177.3	-179.2	0	0	111.3	L623 F625 V629 T630 H631	L623-E627 PolarHBondContact O-N 3.38Å; F625-E627 VanDerWaalsContact C-N 3.33Å; F625-E627 PolarHBondContact O-N 3.01Å; E627-V629 PolarHBondContact O-N 3.24Å; E627-T630 PolarHBondContact O-OG1 3.22Å; E627-T630 VanDerWaalsContact O-OG1 3.13Å; E627-H631 VanDerWaalsContact O-CB 3.26Å; E627-H631 WeakPolarHBondContact O-CB 3.26Å; E627-H631 PolarHBondContact O-N 3.46Å
628	L	96.2	Very high	94.4	Very high	78 Å²	78	59.4 Å²	59.4	41%	0.408	31%	0.308	S	S	.	.	H	α-helix	trans	-59.7	-46.5	176.8	-179.1	72.5	0	0	0	111.8	K624 F625 Q632	K624-L628 PolarHBondContact O-N 3.4Å; K624-L628 VanDerWaalsContact O-N 3.08Å; F625-L628 HydrophobicContact CD2-CD2 4.37Å; F625-L628 WeakPolarHBondContact O-CB 3.42Å; F625-L628 PolarHBondContact O-N 2.89Å; L628-Q632 VanDerWaalsContact CD1-NE2 3.32Å; L628-Q632 WeakPolarHBondContact O-CB 3.37Å; L628-Q632 WeakPolarHBondContact O-CG 3.4Å; L628-Q632 PolarHBondContact O-N 3.29Å
629	V	95.9	Very high	94.1	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-67.9	-47.4	-176.5	172.1	0	0	0	0	110.9	F625 M626 E627 H631 Q632 I633 I636 L643 F722	F625-V629 HydrophobicContact CD1-CG2 4.15Å; F625-V629 HydrophobicContact CD2-CG2 4.07Å; F625-V629 HydrophobicContact CE1-CG2 3.67Å; F625-V629 HydrophobicContact CE2-CG2 3.58Å; F625-V629 HydrophobicContact CG-CG2 4.34Å; F625-V629 HydrophobicContact CZ-CG2 3.36Å; F625-V629 VanDerWaalsContact O-CG2 3.3Å; F625-V629 WeakPolarHBondContact O-CG2 3.13Å; F625-V629 PolarHBondContact O-N 3.4Å; M626-V629 PolarHBondContact O-N 3.37Å; E627-V629 PolarHBondContact O-N 3.24Å; V629-H631 VanDerWaalsContact C-N 3.3Å; V629-H631 PolarHBondContact O-N 2.93Å; V629-Q632 PolarHBondContact O-N 3.08Å; V629-Q632 VanDerWaalsContact O-N 3.16Å; V629-I633 PolarHBondContact O-N 2.65Å; V629-I636 HydrophobicContact CG1-CD1 3.33Å; V629-I636 HydrophobicContact CG1-CG2 4.24Å; V629-L643 HydrophobicContact CB-CD1 3.87Å; V629-L643 HydrophobicContact CG1-CD1 3.73Å; V629-L643 HydrophobicContact CG2-CD1 4.38Å; V629-F722 HydrophobicContact CB-CE2 4.12Å; V629-F722 HydrophobicContact CB-CZ 4.06Å; V629-F722 HydrophobicContact CG1-CD2 4.3Å; V629-F722 HydrophobicContact CG1-CE2 3.64Å; V629-F722 HydrophobicContact CG1-CZ 4.02Å; V629-F722 HydrophobicContact CG2-CD1 4.13Å; V629-F722 HydrophobicContact CG2-CD2 3.97Å; V629-F722 HydrophobicContact CG2-CE1 3.94Å; V629-F722 HydrophobicContact CG2-CE2 3.79Å; V629-F722 HydrophobicContact CG2-CG 4.15Å; V629-F722 HydrophobicContact CG2-CZ 3.77Å
630	T	93.4	Very high	93.7	Very high	71 Å²	71	61.6 Å²	61.6	44%	0.436	33%	0.33	S	S	.	.	H	α-helix	trans	-65.2	-34.1	179.8	51.6	0	0	0	0	111.8	M626 E627 P634	M626-T630 WeakPolarHBondContact O-CB 3.48Å; M626-T630 VanDerWaalsContact O-CG2 3.32Å; M626-T630 WeakPolarHBondContact O-CG2 3.49Å; M626-T630 PolarHBondContact O-N 2.65Å; M626-T630 PolarHBondContact O-OG1 3Å; E627-T630 PolarHBondContact O-OG1 3.22Å; E627-T630 VanDerWaalsContact O-OG1 3.13Å; T630-P634 WeakPolarHBondContact O-CA 3.38Å
631	H	94.8	Very high	93.6	Very high	154 Å²	154	58.7 Å²	58.7	71%	0.713	32%	0.315	S	S	*	.	H	α-helix	trans	-66.5	-41.3	171.7	-176.1	75.5	0	0	0	112.7	E627 V629	E627-H631 VanDerWaalsContact O-CB 3.26Å; E627-H631 WeakPolarHBondContact O-CB 3.26Å; E627-H631 PolarHBondContact O-N 3.46Å; V629-H631 VanDerWaalsContact C-N 3.3Å; V629-H631 PolarHBondContact O-N 2.93Å
632	Q	93.2	Very high	93.6	Very high	68 Å²	68	59.6 Å²	59.6	32%	0.318	32%	0.32	S	S	.	.	H	α-helix	trans	-82.7	-33	-173.9	-77	-168.1	21.2	0	0	114.3	L628 V629 F722 K726	L628-Q632 VanDerWaalsContact CD1-NE2 3.32Å; L628-Q632 WeakPolarHBondContact O-CB 3.37Å; L628-Q632 WeakPolarHBondContact O-CG 3.4Å; L628-Q632 PolarHBondContact O-N 3.29Å; V629-Q632 PolarHBondContact O-N 3.08Å; V629-Q632 VanDerWaalsContact O-N 3.16Å; Q632-F722 HydrophobicContact CB-CE1 4.46Å; Q632-F722 HydrophobicContact CB-CZ 4.01Å; Q632-K726 HydrophobicContact CB-CD 4.12Å; Q632-K726 WeakPolarHBondContact O-CE 3.41Å
633	I	92	Very high	93.6	Very high	2 Å²	2	60 Å²	60	1%	0.01	32%	0.322	C	S	.	.			trans	-135.8	82.8	176	-52.2	-176.4	0	0	0	107.7	V629 N635 I636 Y639 F722 L725 K726 Y729	V629-I633 PolarHBondContact O-N 2.65Å; I633-N635 PolarHBondContact O-N 3.33Å; I633-I636 HydrophobicContact CB-CB 4.2Å; I633-I636 HydrophobicContact CG2-CB 3.9Å; I633-I636 HydrophobicContact CG2-CG1 4.24Å; I633-I636 WeakPolarHBondContact O-CB 3.23Å; I633-I636 PolarHBondContact O-N 3.47Å; I633-I636 VanDerWaalsContact O-N 3.13Å; I633-Y639 HydrophobicContact CG2-CE2 4.1Å; I633-F722 HydrophobicContact CD1-CE2 3.85Å; I633-F722 HydrophobicContact CD1-CZ 4.35Å; I633-F722 HydrophobicContact CG1-CE2 4.28Å; I633-F722 HydrophobicContact CG1-CZ 4.38Å; I633-L725 HydrophobicContact CD1-CG 4.42Å; I633-K726 HydrophobicContact CD1-CD 4.16Å; I633-K726 HydrophobicContact CG1-CD 3.89Å; I633-Y729 HydrophobicContact CD1-CD1 4.38Å; I633-Y729 HydrophobicContact CD1-CG 4.06Å; I633-Y729 HydrophobicContact CG1-CD1 4.04Å; I633-Y729 HydrophobicContact CG1-CE1 4.37Å; I633-Y729 HydrophobicContact CG1-CG 4.18Å; I633-Y729 HydrophobicContact CG2-CD2 4.09Å; I633-Y729 HydrophobicContact CG2-CE1 4.45Å; I633-Y729 HydrophobicContact CG2-CE2 3.92Å; I633-Y729 HydrophobicContact CG2-CG 4.44Å
634	P	90.4	Very high	93.5	Very high	97 Å²	97	59.9 Å²	59.9	63%	0.63	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-30.7	-173.7	-26.8	35.6	0	0	0	115	T630	T630-P634 WeakPolarHBondContact O-CA 3.38Å
635	N	88.5	Confident	93.6	Very high	38 Å²	38	60.6 Å²	60.6	20%	0.203	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	27.1	-180	69.6	-39.5	0	0	0	112.6	I633 S637 E638 Y639 Y729	I633-N635 PolarHBondContact O-N 3.33Å; N635-S637 PolarHBondContact O-N 2.9Å; N635-S637 VanDerWaalsContact O-N 3.1Å; N635-E638 HydrophobicContact CB-CG 4.19Å; N635-E638 PolarHBondContact ND2-OE2 3.2Å; N635-E638 WeakPolarHBondContact O-CB 3.37Å; N635-E638 PolarHBondContact O-N 3.12Å; N635-Y639 PolarHBondContact ND2-OH 3Å; N635-Y729 PolarHBondContact OD1-OH 3.11Å
636	I	90.7	Very high	93.7	Very high	9 Å²	9	60.5 Å²	60.5	5%	0.046	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-58.6	-29.1	-174.2	-160.1	169.3	0	0	0	113.5	V629 I633 E638 Y639 V641 F722 F745	V629-I636 HydrophobicContact CG1-CD1 3.33Å; V629-I636 HydrophobicContact CG1-CG2 4.24Å; I633-I636 HydrophobicContact CB-CB 4.2Å; I633-I636 HydrophobicContact CG2-CB 3.9Å; I633-I636 HydrophobicContact CG2-CG1 4.24Å; I633-I636 WeakPolarHBondContact O-CB 3.23Å; I633-I636 PolarHBondContact O-N 3.47Å; I633-I636 VanDerWaalsContact O-N 3.13Å; I636-E638 VanDerWaalsContact C-N 3.27Å; I636-E638 PolarHBondContact O-N 3.06Å; I636-Y639 WeakPolarHBondContact O-CB 3.41Å; I636-Y639 PolarHBondContact O-N 2.93Å; I636-Y639 VanDerWaalsContact O-N 3.09Å; I636-V641 HydrophobicContact CD1-CG1 4.15Å; I636-V641 HydrophobicContact CG1-CB 4.04Å; I636-V641 HydrophobicContact CG1-CG1 4.17Å; I636-V641 HydrophobicContact CG1-CG2 4.33Å; I636-F722 HydrophobicContact CD1-CE2 4.2Å; I636-F745 HydrophobicContact CD1-CE1 3.91Å
637	S	90.6	Very high	93.7	Very high	86 Å²	86	60.4 Å²	60.4	60%	0.601	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-62.7	-29.6	176.8	53.4	0	0	0	0	113.6	N635 Y639 G640 V641	N635-S637 PolarHBondContact O-N 2.9Å; N635-S637 VanDerWaalsContact O-N 3.1Å; S637-Y639 PolarHBondContact O-N 2.9Å; S637-G640 PolarHBondContact O-N 3.15Å; S637-V641 WeakPolarHBondContact CA-O 3.41Å
638	E	89.1	Confident	93.8	Very high	138 Å²	138	58 Å²	58	65%	0.645	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-64.9	-21.1	175.5	-62.5	179	172.4	0	0	112.2	N635 I636 G640	N635-E638 HydrophobicContact CB-CG 4.19Å; N635-E638 PolarHBondContact ND2-OE2 3.2Å; N635-E638 WeakPolarHBondContact O-CB 3.37Å; N635-E638 PolarHBondContact O-N 3.12Å; I636-E638 VanDerWaalsContact C-N 3.27Å; I636-E638 PolarHBondContact O-N 3.06Å; E638-G640 PolarHBondContact O-N 2.89Å
639	Y	88.5	Confident	93.8	Very high	17 Å²	17	55 Å²	55	7%	0.067	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-86.4	10.7	174	-54.5	-64.8	0	0	0	113	I633 N635 I636 S637 V641 Y729 T736 L737 K746	I633-Y639 HydrophobicContact CG2-CE2 4.1Å; N635-Y639 PolarHBondContact ND2-OH 3Å; I636-Y639 WeakPolarHBondContact O-CB 3.41Å; I636-Y639 PolarHBondContact O-N 2.93Å; I636-Y639 VanDerWaalsContact O-N 3.09Å; S637-Y639 PolarHBondContact O-N 2.9Å; Y639-V641 VanDerWaalsContact C-N 3.35Å; Y639-Y729 HydrophobicContact CE2-CD2 4.39Å; Y639-Y729 HydrophobicContact CE2-CE2 4.23Å; Y639-Y729 WeakPolarHBondContact OH-CE2 3.23Å; Y639-T736 WeakPolarHBondContact CE1-OG1 3.07Å; Y639-T736 VanDerWaalsContact CZ-OG1 3.27Å; Y639-L737 HydrophobicContact CD1-CD2 4.31Å; Y639-L737 HydrophobicContact CD1-CG 4.1Å; Y639-L737 HydrophobicContact CE1-CG 4.44Å; Y639-K746 WeakPolarHBondContact O-CE 3.28Å; Y639-K746 PolarHBondContact O-NZ 3.1Å
640	G	90.2	Very high	93.9	Very high	49 Å²	49	55 Å²	55	51%	0.505	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	68	34.8	-178.3	0	0	0	0	0	112.6	S637 E638 K746	S637-G640 PolarHBondContact O-N 3.15Å; E638-G640 PolarHBondContact O-N 2.89Å; G640-K746 VanDerWaalsContact O-CE 3.3Å; G640-K746 WeakPolarHBondContact O-CE 3.39Å; G640-K746 PolarHBondContact O-NZ 2.77Å
641	V	93.8	Very high	94.2	Very high	6 Å²	6	56.5 Å²	56.5	4%	0.036	30%	0.295	C	S	.	.			trans	-109	119.6	172.6	173.6	0	0	0	0	107.8	I636 S637 Y639 L643 L742 F745 K746 L749	I636-V641 HydrophobicContact CD1-CG1 4.15Å; I636-V641 HydrophobicContact CG1-CB 4.04Å; I636-V641 HydrophobicContact CG1-CG1 4.17Å; I636-V641 HydrophobicContact CG1-CG2 4.33Å; S637-V641 WeakPolarHBondContact CA-O 3.41Å; Y639-V641 VanDerWaalsContact C-N 3.35Å; V641-L643 HydrophobicContact CG1-CD2 3.91Å; V641-L643 HydrophobicContact CG1-CG 4.36Å; V641-L742 HydrophobicContact CG2-CD1 3.87Å; V641-F745 HydrophobicContact CG1-CD1 4.5Å; V641-F745 HydrophobicContact CG1-CE1 3.8Å; V641-F745 HydrophobicContact CG2-CD1 4.25Å; V641-F745 HydrophobicContact CG2-CE1 4.3Å; V641-K746 HydrophobicContact CG2-CG 4.18Å; V641-L749 HydrophobicContact CG1-CD1 3.88Å
642	N	95.5	Very high	94.3	Very high	58 Å²	58	52.7 Å²	52.7	31%	0.31	28%	0.277	S	S	.	.			trans	-117.8	109.4	172.6	-171.1	-13	0	0	0	109.9	D644 W645	N642-D644 VanDerWaalsContact C-N 3.29Å; N642-D644 WeakPolarHBondContact OD1-CB 3.37Å; N642-D644 PolarHBondContact OD1-N 3.24Å; N642-D644 PolarHBondContact OD1-OD2 3.32Å; N642-W645 HydrophobicContact CB-CD2 3.83Å; N642-W645 HydrophobicContact CB-CE3 4.24Å; N642-W645 HydrophobicContact CB-CG 4.21Å; N642-W645 HydrophobicContact CB-CH2 4.44Å; N642-W645 HydrophobicContact CB-CZ2 4.04Å; N642-W645 PolarHBondContact ND2-NE1 2.93Å
643	L	96.8	Very high	94.5	Very high	10 Å²	10	49.4 Å²	49.4	5%	0.052	26%	0.262	C	S	.	.	S	Bend	trans	-77	-18.2	179.4	-58.2	179.8	0	0	0	112.7	W622 M626 V629 V641 W645 V646 L647 F745 L749	W622-L643 HydrophobicContact CH2-CD2 4.36Å; W622-L643 HydrophobicContact CZ2-CB 4.18Å; W622-L643 HydrophobicContact CZ2-CD2 4.08Å; W622-L643 PolarHBondContact NE1-O 3.25Å; M626-L643 HydrophobicContact CB-CD1 4.43Å; M626-L643 HydrophobicContact CE-CB 4.11Å; M626-L643 HydrophobicContact CG-CB 4Å; M626-L643 HydrophobicContact CG-CD1 4.09Å; M626-L643 HydrophobicContact SD-CB 4.39Å; V629-L643 HydrophobicContact CB-CD1 3.87Å; V629-L643 HydrophobicContact CG1-CD1 3.73Å; V629-L643 HydrophobicContact CG2-CD1 4.38Å; V641-L643 HydrophobicContact CG1-CD2 3.91Å; V641-L643 HydrophobicContact CG1-CG 4.36Å; L643-W645 PolarHBondContact O-N 2.85Å; L643-V646 PolarHBondContact O-N 2.86Å; L643-L647 PolarHBondContact O-N 2.94Å; L643-F745 HydrophobicContact CD2-CZ 4.38Å; L643-L749 HydrophobicContact CD2-CD1 4.24Å; L643-L749 HydrophobicContact CD2-CD2 4.2Å
644	D	97.3	Very high	94.8	Very high	76 Å²	76	52.5 Å²	52.5	41%	0.406	28%	0.275	S	S	.	.	H	α-helix	trans	-65.8	-27.5	178.5	-60.3	-37.1	0	0	0	111.3	M626 N642 V646 L647 E648	M626-D644 VanDerWaalsContact CE-OD1 3.26Å; M626-D644 WeakPolarHBondContact CE-OD1 3.39Å; N642-D644 VanDerWaalsContact C-N 3.29Å; N642-D644 WeakPolarHBondContact OD1-CB 3.37Å; N642-D644 PolarHBondContact OD1-N 3.24Å; N642-D644 PolarHBondContact OD1-OD2 3.32Å; D644-V646 VanDerWaalsContact C-N 3.32Å; D644-V646 PolarHBondContact O-N 3.35Å; D644-L647 WeakPolarHBondContact O-CB 3.28Å; D644-L647 PolarHBondContact O-N 3.32Å; D644-L647 VanDerWaalsContact O-N 3.16Å; D644-E648 WeakPolarHBondContact O-CB 3.48Å; D644-E648 VanDerWaalsContact O-CG 3.29Å; D644-E648 WeakPolarHBondContact O-CG 3.34Å; D644-E648 PolarHBondContact O-N 3.01Å
645	W	97.9	Very high	95.1	Very high	143 Å²	143	53.3 Å²	53.3	54%	0.542	27%	0.268	S	S	.	.	H	α-helix	trans	-60.3	-41.7	175.5	-63	-16.5	0	0	0	112.4	N642 L643 E649 L753	N642-W645 HydrophobicContact CB-CD2 3.83Å; N642-W645 HydrophobicContact CB-CE3 4.24Å; N642-W645 HydrophobicContact CB-CG 4.21Å; N642-W645 HydrophobicContact CB-CH2 4.44Å; N642-W645 HydrophobicContact CB-CZ2 4.04Å; N642-W645 PolarHBondContact ND2-NE1 2.93Å; L643-W645 PolarHBondContact O-N 2.85Å; W645-E649 WeakPolarHBondContact O-CG 3.24Å; W645-E649 PolarHBondContact O-N 3Å; W645-E649 VanDerWaalsContact O-N 3.12Å; W645-L753 HydrophobicContact CB-CD1 4.39Å; W645-L753 HydrophobicContact CB-CD2 4.15Å; W645-L753 WeakPolarHBondContact O-CD2 3.43Å
646	V	97.7	Very high	95.4	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.012	26%	0.26	C	S	.	.	H	α-helix	trans	-70.7	-39.3	176.4	178.4	0	0	0	0	110.1	W622 L643 D644 E648 E649 I650 L749 V752 L753 L756	W622-V646 HydrophobicContact CD2-CB 4.27Å; W622-V646 HydrophobicContact CD2-CG1 3.63Å; W622-V646 VanDerWaalsContact CE2-CB 3.49Å; W622-V646 HydrophobicContact CE3-CG1 3.9Å; W622-V646 HydrophobicContact CG-CG1 4.3Å; W622-V646 HydrophobicContact CH2-CB 3.93Å; W622-V646 HydrophobicContact CH2-CG1 3.8Å; W622-V646 HydrophobicContact CH2-CG2 3.92Å; W622-V646 HydrophobicContact CZ2-CB 3.33Å; W622-V646 HydrophobicContact CZ2-CG1 3.51Å; W622-V646 HydrophobicContact CZ2-CG2 3.69Å; W622-V646 HydrophobicContact CZ3-CG1 3.97Å; L643-V646 PolarHBondContact O-N 2.86Å; D644-V646 VanDerWaalsContact C-N 3.32Å; D644-V646 PolarHBondContact O-N 3.35Å; V646-E648 PolarHBondContact O-N 3.06Å; V646-E649 PolarHBondContact O-N 3.29Å; V646-I650 HydrophobicContact CG1-CD1 3.94Å; V646-I650 HydrophobicContact CG1-CG1 4.36Å; V646-I650 VanDerWaalsContact O-CG1 3.32Å; V646-I650 WeakPolarHBondContact O-CG1 3.32Å; V646-I650 PolarHBondContact O-N 3.18Å; V646-L749 HydrophobicContact CG2-CD2 4.2Å; V646-V752 HydrophobicContact CG1-CG1 3.95Å; V646-L753 HydrophobicContact CB-CD2 4.36Å; V646-L753 HydrophobicContact CG2-CD1 4.45Å; V646-L753 HydrophobicContact CG2-CD2 3.87Å; V646-L753 HydrophobicContact CG2-CG 3.89Å; V646-L756 HydrophobicContact CG1-CD1 4.2Å
647	L	98.3	Very high	95.7	Very high	26 Å²	26	51.2 Å²	51.2	14%	0.136	26%	0.258	C	S	.	.	H	α-helix	trans	-59	-47.5	175.9	176.7	62.7	0	0	0	111.5	L619 L623 M626 L643 D644 E649 I650 Q651	L619-L647 HydrophobicContact CD1-CD1 3.47Å; L619-L647 VanDerWaalsContact CD1-CD1 3.47Å; L623-L647 HydrophobicContact CD2-CD1 3.92Å; L623-L647 HydrophobicContact CD2-CD2 4.49Å; L623-L647 HydrophobicContact CG-CD1 4.49Å; M626-L647 HydrophobicContact CE-CD2 4.27Å; M626-L647 HydrophobicContact SD-CB 4.08Å; M626-L647 HydrophobicContact SD-CD2 4.11Å; L643-L647 PolarHBondContact O-N 2.94Å; D644-L647 WeakPolarHBondContact O-CB 3.28Å; D644-L647 PolarHBondContact O-N 3.32Å; D644-L647 VanDerWaalsContact O-N 3.16Å; L647-E649 VanDerWaalsContact C-N 3.35Å; L647-E649 PolarHBondContact O-N 2.88Å; L647-I650 PolarHBondContact O-N 3.41Å; L647-Q651 VanDerWaalsContact O-CG 3.32Å; L647-Q651 WeakPolarHBondContact O-CG 3.42Å; L647-Q651 PolarHBondContact O-N 3.28Å
648	E	98.3	Very high	95.9	Very high	90 Å²	90	50.2 Å²	50.2	42%	0.421	24%	0.243	S	C	.	.	H	α-helix	trans	-59.7	-42.9	176.6	-74.2	173.6	-158.8	0	0	111.6	D644 V646 Q651 K652	D644-E648 WeakPolarHBondContact O-CB 3.48Å; D644-E648 VanDerWaalsContact O-CG 3.29Å; D644-E648 WeakPolarHBondContact O-CG 3.34Å; D644-E648 PolarHBondContact O-N 3.01Å; V646-E648 PolarHBondContact O-N 3.06Å; E648-Q651 PolarHBondContact O-N 2.78Å; E648-K652 VanDerWaalsContact O-CG 3.3Å; E648-K652 WeakPolarHBondContact O-CG 3.27Å; E648-K652 PolarHBondContact O-N 3.04Å
649	E	97.5	Very high	96.1	Very high	16 Å²	16	46.5 Å²	46.5	8%	0.075	23%	0.228	C	C	.	.	H	α-helix	trans	-67.5	-38.2	176.5	-71.3	-53.3	142.8	0	0	112.7	W645 V646 L647 Q651 K652 F653 L753 L756 Q757	W645-E649 WeakPolarHBondContact O-CG 3.24Å; W645-E649 PolarHBondContact O-N 3Å; W645-E649 VanDerWaalsContact O-N 3.12Å; V646-E649 PolarHBondContact O-N 3.29Å; L647-E649 VanDerWaalsContact C-N 3.35Å; L647-E649 PolarHBondContact O-N 2.88Å; E649-Q651 VanDerWaalsContact C-N 3.31Å; E649-Q651 PolarHBondContact O-N 2.92Å; E649-K652 PolarHBondContact O-N 3.24Å; E649-K652 IonicContact OE1-NZ 2.63Å; E649-K652 PolarHBondContact OE1-NZ 2.95Å; E649-F653 WeakPolarHBondContact O-CB 3.17Å; E649-F653 PolarHBondContact O-N 2.88Å; E649-L753 HydrophobicContact CB-CD2 4.2Å; E649-L753 HydrophobicContact CG-CD2 3.63Å; E649-L756 HydrophobicContact CB-CB 4.05Å; E649-L756 HydrophobicContact CB-CD1 4.11Å; E649-Q757 VanDerWaalsContact CD-CG 3.48Å; E649-Q757 HydrophobicContact CG-CG 4.05Å; E649-Q757 PolarHBondContact OE1-NE2 2.79Å; E649-Q757 VanDerWaalsContact OE2-CG 3.29Å; E649-Q757 WeakPolarHBondContact OE2-CG 3.39Å
650	I	98	Very high	96.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.1	-40	172.7	-67.2	170.1	0	0	0	110.6	L618 L619 W622 V646 L647 F653 K654 F715 L756	L618-I650 HydrophobicContact CB-CG2 4.38Å; L619-I650 HydrophobicContact CB-CG2 3.77Å; L619-I650 HydrophobicContact CD1-CG2 4.05Å; L619-I650 HydrophobicContact CG-CG2 4.5Å; W622-I650 HydrophobicContact CB-CD1 3.45Å; W622-I650 VanDerWaalsContact CB-CD1 3.45Å; W622-I650 HydrophobicContact CD2-CD1 4.16Å; W622-I650 HydrophobicContact CG-CD1 3.54Å; V646-I650 HydrophobicContact CG1-CD1 3.94Å; V646-I650 HydrophobicContact CG1-CG1 4.36Å; V646-I650 VanDerWaalsContact O-CG1 3.32Å; V646-I650 WeakPolarHBondContact O-CG1 3.32Å; V646-I650 PolarHBondContact O-N 3.18Å; L647-I650 PolarHBondContact O-N 3.41Å; I650-F653 PolarHBondContact O-N 3.01Å; I650-K654 WeakPolarHBondContact O-CB 3.48Å; I650-K654 PolarHBondContact O-N 3.21Å; I650-F715 HydrophobicContact CD1-CZ 4.11Å; I650-L756 HydrophobicContact CD1-CD1 4.48Å; I650-L756 HydrophobicContact CG1-CD1 3.62Å; I650-L756 HydrophobicContact CG1-CD2 4.38Å
651	Q	98.4	Very high	96.5	Very high	101 Å²	101	45.4 Å²	45.4	47%	0.472	21%	0.21	S	C	.	.	H	α-helix	trans	-65.3	-40.8	176.2	-72.8	173	-11.4	0	0	112.1	L647 E648 E649 K654 K655	L647-Q651 VanDerWaalsContact O-CG 3.32Å; L647-Q651 WeakPolarHBondContact O-CG 3.42Å; L647-Q651 PolarHBondContact O-N 3.28Å; E648-Q651 PolarHBondContact O-N 2.78Å; E649-Q651 VanDerWaalsContact C-N 3.31Å; E649-Q651 PolarHBondContact O-N 2.92Å; Q651-K654 PolarHBondContact O-N 3.24Å; Q651-K655 PolarHBondContact O-N 2.68Å
652	K	97.8	Very high	96.4	Very high	74 Å²	74	48.8 Å²	48.8	32%	0.322	23%	0.228	S	C	.	.	H	α-helix	trans	-62.1	-44.9	173.1	-70.6	169.3	-163.1	168.7	0	111.1	E648 E649 K655 S656 T760	E648-K652 VanDerWaalsContact O-CG 3.3Å; E648-K652 WeakPolarHBondContact O-CG 3.27Å; E648-K652 PolarHBondContact O-N 3.04Å; E649-K652 PolarHBondContact O-N 3.24Å; E649-K652 IonicContact OE1-NZ 2.63Å; E649-K652 PolarHBondContact OE1-NZ 2.95Å; K652-K655 PolarHBondContact O-N 3.48Å; K652-S656 PolarHBondContact O-N 3.17Å; K652-S656 PolarHBondContact O-OG 3.01Å; K652-T760 HydrophobicContact CB-CG2 4.1Å
653	F	97	Very high	96.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.6	-46.7	175.3	169.6	-128.1	0	0	0	111.5	I611 S615 L618 E649 I650 K655 S656 S657 L756 L759 T760 L763	I611-F653 HydrophobicContact CG2-CE2 3.93Å; I611-F653 HydrophobicContact CG2-CZ 3.85Å; S615-F653 VanDerWaalsContact CB-CE1 3.44Å; L618-F653 HydrophobicContact CD1-CD1 4.11Å; L618-F653 HydrophobicContact CD1-CE1 3.59Å; E649-F653 WeakPolarHBondContact O-CB 3.17Å; E649-F653 PolarHBondContact O-N 2.88Å; I650-F653 PolarHBondContact O-N 3.01Å; F653-K655 PolarHBondContact O-N 3.47Å; F653-S656 PolarHBondContact O-N 2.82Å; F653-S657 VanDerWaalsContact CE2-OG 3.22Å; F653-S657 WeakPolarHBondContact CE2-OG 3.3Å; F653-S657 WeakPolarHBondContact O-CB 3.36Å; F653-S657 PolarHBondContact O-N 2.9Å; F653-S657 PolarHBondContact O-OG 3.01Å; F653-L756 HydrophobicContact CD1-CD2 4.36Å; F653-L759 HydrophobicContact CD1-CD2 4.48Å; F653-L759 HydrophobicContact CD2-CD2 3.7Å; F653-L759 HydrophobicContact CD2-CG 3.74Å; F653-L759 HydrophobicContact CE1-CD2 4.12Å; F653-L759 HydrophobicContact CE2-CD1 4.23Å; F653-L759 HydrophobicContact CE2-CD2 3.27Å; F653-L759 HydrophobicContact CE2-CG 3.55Å; F653-L759 HydrophobicContact CG-CD2 4.3Å; F653-L759 HydrophobicContact CZ-CD2 3.53Å; F653-L759 HydrophobicContact CZ-CG 4.31Å; F653-T760 WeakPolarHBondContact CA-OG1 3.01Å; F653-T760 PolarHBondContact N-OG1 3.03Å; F653-L763 HydrophobicContact CD2-CD1 3.94Å; F653-L763 HydrophobicContact CE2-CD1 3.6Å
654	K	97.7	Very high	95.8	Very high	66 Å²	66	47.1 Å²	47.1	29%	0.287	22%	0.218	S	C	.	.	H	α-helix	trans	-59.2	-44.8	176.1	176.2	173.5	175.8	-178.5	0	112.2	L612 S615 L619 I650 Q651 S657 Q658	L612-K654 HydrophobicContact CD1-CG 4.36Å; S615-K654 WeakPolarHBondContact OG-CA 3.33Å; S615-K654 WeakPolarHBondContact OG-CG 3.16Å; L619-K654 HydrophobicContact CD2-CD 4.18Å; I650-K654 WeakPolarHBondContact O-CB 3.48Å; I650-K654 PolarHBondContact O-N 3.21Å; Q651-K654 PolarHBondContact O-N 3.24Å; K654-S657 WeakPolarHBondContact O-CB 3.41Å; K654-S657 PolarHBondContact O-N 3.07Å; K654-Q658 PolarHBondContact O-N 2.85Å
655	K	97	Very high	95.5	Very high	114 Å²	114	45.5 Å²	45.5	50%	0.496	21%	0.209	S	C	.	.	H	α-helix	trans	-60.4	-47.7	175.9	177	54.2	179.9	156.5	0	111.2	Q651 K652 F653 S657 Q658 D659	Q651-K655 PolarHBondContact O-N 2.68Å; K652-K655 PolarHBondContact O-N 3.48Å; F653-K655 PolarHBondContact O-N 3.47Å; K655-S657 VanDerWaalsContact C-N 3.27Å; K655-S657 PolarHBondContact O-N 2.78Å; K655-Q658 WeakPolarHBondContact O-CB 3.48Å; K655-Q658 PolarHBondContact O-N 2.75Å; K655-D659 VanDerWaalsContact CE-OD1 3.24Å; K655-D659 WeakPolarHBondContact CE-OD1 3.45Å; K655-D659 WeakPolarHBondContact CE-OD2 3.46Å; K655-D659 IonicContact NZ-OD1 3.63Å; K655-D659 PolarHBondContact NZ-OD1 2.94Å; K655-D659 IonicContact NZ-OD2 3.3Å; K655-D659 VanDerWaalsContact O-CG 3.25Å; K655-D659 PolarHBondContact O-N 2.65Å
656	S	95.8	Very high	95	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.028	20%	0.199	C	C	.	.	H	α-helix	trans	-66.2	-28.5	177.3	-65.7	0	0	0	0	113.4	K652 F653 F660 R764	K652-S656 PolarHBondContact O-N 3.17Å; K652-S656 PolarHBondContact O-OG 3.01Å; F653-S656 PolarHBondContact O-N 2.82Å; S656-F660 WeakPolarHBondContact O-CB 3.3Å; S656-F660 PolarHBondContact O-N 3.08Å; S656-R764 VanDerWaalsContact OG-CG 3.25Å; S656-R764 WeakPolarHBondContact OG-CG 2.96Å; S656-R764 PolarHBondContact OG-NE 2.89Å; S656-R764 VanDerWaalsContact OG-NE 3.11Å
657	S	96	Very high	94.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.8	-43.3	171.7	-56.2	0	0	0	0	111.5	I611 F653 K654 K655 E661	I611-S657 VanDerWaalsContact CG2-OG 3.28Å; I611-S657 WeakPolarHBondContact CG2-OG 3.45Å; F653-S657 VanDerWaalsContact CE2-OG 3.22Å; F653-S657 WeakPolarHBondContact CE2-OG 3.3Å; F653-S657 WeakPolarHBondContact O-CB 3.36Å; F653-S657 PolarHBondContact O-N 2.9Å; F653-S657 PolarHBondContact O-OG 3.01Å; K654-S657 WeakPolarHBondContact O-CB 3.41Å; K654-S657 PolarHBondContact O-N 3.07Å; K655-S657 VanDerWaalsContact C-N 3.27Å; K655-S657 PolarHBondContact O-N 2.78Å; S657-E661 VanDerWaalsContact O-CB 3.29Å; S657-E661 WeakPolarHBondContact O-CB 3.2Å; S657-E661 PolarHBondContact O-N 3.49Å
658	Q	96	Very high	93.9	Very high	64 Å²	64	44.5 Å²	44.5	30%	0.299	21%	0.213	S	C	.	.	H	α-helix	trans	-62.7	-47.9	174.7	-176.5	65.7	61.8	0	0	111.3	L612 K654 K655 F660 E661 D662	L612-Q658 HydrophobicContact CD1-CB 4.15Å; K654-Q658 PolarHBondContact O-N 2.85Å; K655-Q658 WeakPolarHBondContact O-CB 3.48Å; K655-Q658 PolarHBondContact O-N 2.75Å; Q658-F660 VanDerWaalsContact C-N 3.3Å; Q658-F660 PolarHBondContact O-N 2.97Å; Q658-E661 WeakPolarHBondContact O-CB 3.42Å; Q658-E661 PolarHBondContact O-N 3.37Å; Q658-E661 VanDerWaalsContact O-N 3.16Å; Q658-D662 PolarHBondContact NE2-OD1 2.86Å; Q658-D662 PolarHBondContact NE2-OD2 2.78Å; Q658-D662 VanDerWaalsContact O-CG 3.28Å; Q658-D662 PolarHBondContact O-N 2.98Å
659	D	93.6	Very high	93.3	Very high	61 Å²	61	49.7 Å²	49.7	33%	0.326	23%	0.229	S	C	.	.	H	α-helix	trans	-61.4	-41.3	-178.9	-63.5	-23.6	0	0	0	111.3	K655 F663	K655-D659 VanDerWaalsContact CE-OD1 3.24Å; K655-D659 WeakPolarHBondContact CE-OD1 3.45Å; K655-D659 WeakPolarHBondContact CE-OD2 3.46Å; K655-D659 IonicContact NZ-OD1 3.63Å; K655-D659 PolarHBondContact NZ-OD1 2.94Å; K655-D659 IonicContact NZ-OD2 3.3Å; K655-D659 VanDerWaalsContact O-CG 3.25Å; K655-D659 PolarHBondContact O-N 2.65Å; D659-F663 WeakPolarHBondContact O-CB 3.47Å; D659-F663 PolarHBondContact O-N 2.95Å; D659-F663 VanDerWaalsContact O-N 3.07Å
660	F	93.2	Very high	92.6	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.018	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-43.6	174.7	-177.8	-84.4	0	0	0	112	I611 S656 Q658 F663 A664 L678 I681 L682 L763	I611-F660 HydrophobicContact CD1-CD1 4.02Å; I611-F660 HydrophobicContact CD1-CE1 4.21Å; S656-F660 WeakPolarHBondContact O-CB 3.3Å; S656-F660 PolarHBondContact O-N 3.08Å; Q658-F660 VanDerWaalsContact C-N 3.3Å; Q658-F660 PolarHBondContact O-N 2.97Å; F660-F663 PolarHBondContact O-N 3.42Å; F660-A664 HydrophobicContact CE1-CB 4.17Å; F660-A664 WeakPolarHBondContact O-CB 3.02Å; F660-A664 PolarHBondContact O-N 3.48Å; F660-L678 HydrophobicContact CE2-CD2 4.25Å; F660-L678 HydrophobicContact CZ-CB 4.45Å; F660-L678 HydrophobicContact CZ-CD2 4.5Å; F660-I681 HydrophobicContact CD2-CG2 4.16Å; F660-I681 HydrophobicContact CE2-CB 4.12Å; F660-I681 HydrophobicContact CE2-CD1 4.34Å; F660-I681 HydrophobicContact CE2-CG2 3.5Å; F660-I681 VanDerWaalsContact CE2-CG2 3.5Å; F660-I681 HydrophobicContact CZ-CB 4.37Å; F660-I681 HydrophobicContact CZ-CG2 4Å; F660-L682 HydrophobicContact CD1-CD2 4.24Å; F660-L682 HydrophobicContact CE1-CD2 3.37Å; F660-L682 HydrophobicContact CE1-CG 4.04Å; F660-L682 HydrophobicContact CZ-CD2 3.93Å; F660-L682 HydrophobicContact CZ-CG 4.14Å; F660-L763 HydrophobicContact CD2-CD2 4.15Å; F660-L763 HydrophobicContact CG-CD2 4.23Å
661	E	92.6	Very high	91.7	Very high	39 Å²	39	56 Å²	56	18%	0.182	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-46.6	179.3	-173.9	61.5	-143.7	0	0	111.5	R606 S657 Q658 F663 A664 N665	R606-E661 IonicContact CZ-OE1 2.72Å; R606-E661 IonicContact NH1-OE1 3.49Å; R606-E661 IonicContact NH2-OE1 2.83Å; R606-E661 PolarHBondContact NH2-OE1 2.99Å; R606-E661 IonicContact NH2-OE2 3Å; R606-E661 PolarHBondContact NH2-OE2 2.94Å; S657-E661 VanDerWaalsContact O-CB 3.29Å; S657-E661 WeakPolarHBondContact O-CB 3.2Å; S657-E661 PolarHBondContact O-N 3.49Å; Q658-E661 WeakPolarHBondContact O-CB 3.42Å; Q658-E661 PolarHBondContact O-N 3.37Å; Q658-E661 VanDerWaalsContact O-N 3.16Å; E661-F663 VanDerWaalsContact C-N 3.32Å; E661-F663 PolarHBondContact O-N 3.13Å; E661-A664 PolarHBondContact O-N 3.24Å; E661-N665 WeakPolarHBondContact O-CB 3.32Å; E661-N665 PolarHBondContact O-N 3.02Å; E661-N665 PolarHBondContact O-ND2 3.33Å; E661-N665 PolarHBondContact OE1-ND2 3.36Å
662	D	92.5	Very high	90.6	Very high	76 Å²	76	57.7 Å²	57.7	41%	0.406	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-41.6	177.2	-67.3	-21.4	0	0	0	111.5	Q658 T666	Q658-D662 PolarHBondContact NE2-OD1 2.86Å; Q658-D662 PolarHBondContact NE2-OD2 2.78Å; Q658-D662 VanDerWaalsContact O-CG 3.28Å; Q658-D662 PolarHBondContact O-N 2.98Å; D662-T666 PolarHBondContact O-N 2.71Å; D662-T666 VanDerWaalsContact O-N 3.08Å; D662-T666 PolarHBondContact O-OG1 3.39Å
663	F	89.8	Confident	89.9	Confident	34 Å²	34	56.1 Å²	56.1	15%	0.149	28%	0.281	C	S	.	.	H	α-helix	trans	-64.9	-48.8	175.1	175.9	-105.2	0	0	0	111.9	D659 F660 E661 N665 T666 V667 L678 L770	D659-F663 WeakPolarHBondContact O-CB 3.47Å; D659-F663 PolarHBondContact O-N 2.95Å; D659-F663 VanDerWaalsContact O-N 3.07Å; F660-F663 PolarHBondContact O-N 3.42Å; E661-F663 VanDerWaalsContact C-N 3.32Å; E661-F663 PolarHBondContact O-N 3.13Å; F663-N665 VanDerWaalsContact C-N 3.27Å; F663-N665 PolarHBondContact O-N 3.39Å; F663-T666 WeakPolarHBondContact O-CB 3.44Å; F663-T666 PolarHBondContact O-N 3.31Å; F663-T666 VanDerWaalsContact O-N 3.1Å; F663-V667 HydrophobicContact CD1-CG2 4.32Å; F663-V667 HydrophobicContact CD2-CG2 4.4Å; F663-V667 HydrophobicContact CE1-CG2 3.74Å; F663-V667 HydrophobicContact CE2-CG2 3.81Å; F663-V667 HydrophobicContact CZ-CG2 3.42Å; F663-V667 VanDerWaalsContact CZ-CG2 3.42Å; F663-V667 WeakPolarHBondContact O-CG2 3.41Å; F663-V667 PolarHBondContact O-N 3.2Å; F663-L678 HydrophobicContact CE1-CD1 3.91Å; F663-L678 HydrophobicContact CE1-CD2 3.92Å; F663-L770 HydrophobicContact CE1-CD1 3.86Å; F663-L770 HydrophobicContact CE2-CD1 4.24Å; F663-L770 HydrophobicContact CZ-CD1 3.34Å
664	A	89.4	Confident	89.4	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60	-38.3	178.3	0	0	0	0	0	111.9	F660 E661 V667 E668 F674	F660-A664 HydrophobicContact CE1-CB 4.17Å; F660-A664 WeakPolarHBondContact O-CB 3.02Å; F660-A664 PolarHBondContact O-N 3.48Å; E661-A664 PolarHBondContact O-N 3.24Å; A664-V667 PolarHBondContact O-N 3.24Å; A664-E668 WeakPolarHBondContact O-CB 3.16Å; A664-E668 PolarHBondContact O-N 3.14Å; A664-F674 HydrophobicContact CB-CE2 4.21Å; A664-F674 HydrophobicContact CB-CZ 4.25Å
665	N	90.4	Very high	88.9	Confident	42 Å²	42	55.2 Å²	55.2	23%	0.225	28%	0.282	C	S	.	.	H	α-helix	trans	-64.3	-40.2	174.6	-72.9	-33.6	0	0	0	112.4	R606 E661 F663 R669	R606-N665 PolarHBondContact NH1-OD1 2.83Å; E661-N665 WeakPolarHBondContact O-CB 3.32Å; E661-N665 PolarHBondContact O-N 3.02Å; E661-N665 PolarHBondContact O-ND2 3.33Å; E661-N665 PolarHBondContact OE1-ND2 3.36Å; F663-N665 VanDerWaalsContact C-N 3.27Å; F663-N665 PolarHBondContact O-N 3.39Å; N665-R669 VanDerWaalsContact O-CG 3.29Å; N665-R669 WeakPolarHBondContact O-CG 3.26Å; N665-R669 PolarHBondContact O-N 3.48Å; N665-R669 VanDerWaalsContact O-N 3.14Å
666	T	88.8	Confident	88.5	Confident	52 Å²	52	50.5 Å²	50.5	32%	0.319	26%	0.263	S	S	.	.	H	α-helix	trans	-63.9	-45.5	174.6	-61.2	0	0	0	0	111.1	D662 F663 R669 N670	D662-T666 PolarHBondContact O-N 2.71Å; D662-T666 VanDerWaalsContact O-N 3.08Å; D662-T666 PolarHBondContact O-OG1 3.39Å; F663-T666 WeakPolarHBondContact O-CB 3.44Å; F663-T666 PolarHBondContact O-N 3.31Å; F663-T666 VanDerWaalsContact O-N 3.1Å; T666-R669 PolarHBondContact O-N 2.65Å; T666-N670 WeakPolarHBondContact CG2-ND2 3.28Å; T666-N670 WeakPolarHBondContact O-CB 3.37Å; T666-N670 PolarHBondContact O-N 2.82Å; T666-N670 PolarHBondContact O-ND2 3.22Å
667	V	85.7	Confident	88.1	Confident	3 Å²	3	54.1 Å²	54.1	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-60.6	-46.8	176.5	170.9	0	0	0	0	111.3	F663 A664 R669 N670 C671 F674 P675 L678	F663-V667 HydrophobicContact CD1-CG2 4.32Å; F663-V667 HydrophobicContact CD2-CG2 4.4Å; F663-V667 HydrophobicContact CE1-CG2 3.74Å; F663-V667 HydrophobicContact CE2-CG2 3.81Å; F663-V667 HydrophobicContact CZ-CG2 3.42Å; F663-V667 VanDerWaalsContact CZ-CG2 3.42Å; F663-V667 WeakPolarHBondContact O-CG2 3.41Å; F663-V667 PolarHBondContact O-N 3.2Å; A664-V667 PolarHBondContact O-N 3.24Å; V667-R669 VanDerWaalsContact C-N 3.27Å; V667-R669 PolarHBondContact O-N 2.7Å; V667-N670 PolarHBondContact O-N 3.38Å; V667-C671 HydrophobicContact CG1-CB 4.34Å; V667-C671 WeakPolarHBondContact O-CB 3.35Å; V667-C671 PolarHBondContact O-N 2.89Å; V667-C671 PolarHBondContact O-SG 3.36Å; V667-F674 HydrophobicContact CG1-CD2 4.2Å; V667-F674 HydrophobicContact CG1-CE2 4.33Å; V667-P675 VanDerWaalsContact CG1-CD 3.4Å; V667-P675 HydrophobicContact CG1-CG 3.95Å; V667-L678 HydrophobicContact CB-CD1 4.39Å; V667-L678 HydrophobicContact CG1-CD1 4.05Å; V667-L678 HydrophobicContact CG2-CD1 4.25Å
668	E	85.8	Confident	87.9	Confident	94 Å²	94	54.1 Å²	54.1	44%	0.439	28%	0.277	S	S	.	.	H	α-helix	trans	-63.1	-31	-180	-173.6	164.5	-137.7	0	0	113	R606 A664 F674	R606-E668 IonicContact NH1-OE2 3.7Å; R606-E668 PolarHBondContact NH1-OE2 2.55Å; R606-E668 VanDerWaalsContact NH1-OE2 3.11Å; A664-E668 WeakPolarHBondContact O-CB 3.16Å; A664-E668 PolarHBondContact O-N 3.14Å; E668-F674 HydrophobicContact CB-CD2 4.29Å
669	R	85.4	Confident	87.7	Confident	200 Å²	200	51.1 Å²	51.1	76%	0.755	26%	0.262	S	S	*	.	H	α-helix	trans	-80.2	-36.2	175.9	-70.9	173.9	-170.3	166.6	5.4	113.6	N665 T666 V667	N665-R669 VanDerWaalsContact O-CG 3.29Å; N665-R669 WeakPolarHBondContact O-CG 3.26Å; N665-R669 PolarHBondContact O-N 3.48Å; N665-R669 VanDerWaalsContact O-N 3.14Å; T666-R669 PolarHBondContact O-N 2.65Å; V667-R669 VanDerWaalsContact C-N 3.27Å; V667-R669 PolarHBondContact O-N 2.7Å
670	N	84.3	Confident	87.6	Confident	114 Å²	114	53.8 Å²	53.8	61%	0.61	27%	0.268	S	S	*	.	H	α-helix	trans	-99.6	-19.5	-169.1	-65.4	-20.4	0	0	0	113.5	T666 V667	T666-N670 WeakPolarHBondContact CG2-ND2 3.28Å; T666-N670 WeakPolarHBondContact O-CB 3.37Å; T666-N670 PolarHBondContact O-N 2.82Å; T666-N670 PolarHBondContact O-ND2 3.22Å; V667-N670 PolarHBondContact O-N 3.38Å
671	C	77.8	Confident	87.6	Confident	34 Å²	34	53.6 Å²	53.6	23%	0.23	27%	0.267	C	S	.	.			trans	-100.8	146.8	-179.3	-60.9	0	0	0	0	112.1	V667 S673 L775	V667-C671 HydrophobicContact CG1-CB 4.34Å; V667-C671 WeakPolarHBondContact O-CB 3.35Å; V667-C671 PolarHBondContact O-N 2.89Å; V667-C671 PolarHBondContact O-SG 3.36Å; C671-S673 VanDerWaalsContact C-N 3.26Å; C671-S673 WeakPolarHBondContact CB-O 3.31Å; C671-S673 PolarHBondContact O-N 3.39Å; C671-L775 WeakPolarHBondContact SG-CD2 3.36Å
672	T	75.9	Confident	87.7	Confident	136 Å²	136	51.9 Å²	51.9	83%	0.834	26%	0.259	S	S	*	.	S	Bend	trans	-72.3	-21	172.5	53.1	0	0	0	0	113	Y31	Y31-T672 PolarHBondContact OH-O 3.36Å
673	S	82.4	Confident	87.8	Confident	41 Å²	41	48.7 Å²	48.7	29%	0.287	24%	0.243	S	C	.	.	S	Bend	trans	-141.2	141.6	176.1	63.3	0	0	0	0	110.9	C671 P675	C671-S673 VanDerWaalsContact C-N 3.26Å; C671-S673 WeakPolarHBondContact CB-O 3.31Å; C671-S673 PolarHBondContact O-N 3.39Å; S673-P675 WeakPolarHBondContact O-CD 3.32Å
674	F	87.6	Confident	87.9	Confident	7 Å²	7	47.5 Å²	47.5	3%	0.031	24%	0.24	C	C	.	.			trans	-75.9	123.5	174	-166.1	-97.4	0	0	0	109.7	P605 R606 A664 V667 E668 S676 L678 N679	P605-F674 HydrophobicContact CB-CB 4.04Å; R606-F674 HydrophobicContact CB-CD1 3.96Å; R606-F674 HydrophobicContact CB-CD2 4.01Å; R606-F674 HydrophobicContact CB-CE1 4.06Å; R606-F674 HydrophobicContact CB-CE2 4.13Å; R606-F674 HydrophobicContact CB-CG 3.92Å; R606-F674 HydrophobicContact CB-CZ 4.16Å; R606-F674 HydrophobicContact CG-CD1 4.32Å; R606-F674 HydrophobicContact CG-CD2 4.36Å; R606-F674 HydrophobicContact CG-CE1 3.9Å; R606-F674 HydrophobicContact CG-CE2 3.96Å; R606-F674 HydrophobicContact CG-CZ 3.71Å; A664-F674 HydrophobicContact CB-CE2 4.21Å; A664-F674 HydrophobicContact CB-CZ 4.25Å; V667-F674 HydrophobicContact CG1-CD2 4.2Å; V667-F674 HydrophobicContact CG1-CE2 4.33Å; E668-F674 HydrophobicContact CB-CD2 4.29Å; F674-S676 PolarHBondContact O-N 3.28Å; F674-L678 HydrophobicContact CE1-CB 3.57Å; F674-L678 HydrophobicContact CE1-CD1 4.35Å; F674-L678 HydrophobicContact CE2-CD1 4.12Å; F674-L678 HydrophobicContact CZ-CB 3.7Å; F674-L678 HydrophobicContact CZ-CD1 3.83Å; F674-L678 HydrophobicContact CZ-CG 4.43Å; F674-N679 WeakPolarHBondContact CE1-OD1 3.39Å
675	P	86.6	Confident	88.2	Confident	41 Å²	41	47.6 Å²	47.6	27%	0.266	24%	0.24	S	C	.	.			trans	-63.9	129	-175.8	-23.2	33	0	0	0	113.1	V667 S673 Y677 L678	V667-P675 VanDerWaalsContact CG1-CD 3.4Å; V667-P675 HydrophobicContact CG1-CG 3.95Å; S673-P675 WeakPolarHBondContact O-CD 3.32Å; P675-Y677 PolarHBondContact O-N 3.18Å; P675-Y677 VanDerWaalsContact O-N 3.12Å; P675-L678 HydrophobicContact CB-CD1 4.49Å; P675-L678 HydrophobicContact CB-CG 4.31Å; P675-L678 HydrophobicContact CG-CD1 4.25Å; P675-L678 PolarHBondContact O-N 3.41Å
676	S	88.6	Confident	88.2	Confident	14 Å²	14	45.7 Å²	45.7	10%	0.098	23%	0.231	C	C	.	.	H	α-helix	trans	-61.1	-25.4	179.3	-59.3	0	0	0	0	114.6	E382 F674 L678 N679 R680	E382-S676 WeakPolarHBondContact CG-OG 2.99Å; E382-S676 WeakPolarHBondContact OE1-CA 3.41Å; E382-S676 WeakPolarHBondContact OE1-CB 2.96Å; E382-S676 PolarHBondContact OE1-OG 2.94Å; F674-S676 PolarHBondContact O-N 3.28Å; S676-L678 VanDerWaalsContact C-N 3.33Å; S676-L678 PolarHBondContact O-N 3.18Å; S676-N679 PolarHBondContact O-N 3.42Å; S676-R680 PolarHBondContact O-N 3.31Å
677	Y	88.1	Confident	88.3	Confident	81 Å²	81	44.8 Å²	44.8	32%	0.318	22%	0.222	S	C	.	.	H	α-helix	trans	-62.7	-37.7	173.4	170.8	-104.1	0	0	0	112.7	P675 R680 I681 S766	P675-Y677 PolarHBondContact O-N 3.18Å; P675-Y677 VanDerWaalsContact O-N 3.12Å; Y677-R680 WeakPolarHBondContact O-CB 3.39Å; Y677-R680 PolarHBondContact O-N 2.97Å; Y677-I681 HydrophobicContact CD1-CD1 3.83Å; Y677-I681 HydrophobicContact CE1-CD1 3.28Å; Y677-I681 HydrophobicContact CE1-CG1 4.34Å; Y677-I681 HydrophobicContact CE2-CD1 4.19Å; Y677-I681 HydrophobicContact CE2-CG1 4.44Å; Y677-I681 HydrophobicContact CG-CD1 4.48Å; Y677-I681 VanDerWaalsContact CZ-CD1 3.47Å; Y677-I681 PolarHBondContact O-N 2.81Å; Y677-I681 VanDerWaalsContact O-N 3.1Å; Y677-S766 WeakPolarHBondContact CE1-O 3.34Å
678	L	91.1	Very high	88.6	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-68.1	-37.4	176.3	-62.2	-178.6	0	0	0	111.5	F660 F663 V667 F674 P675 S676 R680 I681 L682	F660-L678 HydrophobicContact CE2-CD2 4.25Å; F660-L678 HydrophobicContact CZ-CB 4.45Å; F660-L678 HydrophobicContact CZ-CD2 4.5Å; F663-L678 HydrophobicContact CE1-CD1 3.91Å; F663-L678 HydrophobicContact CE1-CD2 3.92Å; V667-L678 HydrophobicContact CB-CD1 4.39Å; V667-L678 HydrophobicContact CG1-CD1 4.05Å; V667-L678 HydrophobicContact CG2-CD1 4.25Å; F674-L678 HydrophobicContact CE1-CB 3.57Å; F674-L678 HydrophobicContact CE1-CD1 4.35Å; F674-L678 HydrophobicContact CE2-CD1 4.12Å; F674-L678 HydrophobicContact CZ-CB 3.7Å; F674-L678 HydrophobicContact CZ-CD1 3.83Å; F674-L678 HydrophobicContact CZ-CG 4.43Å; P675-L678 HydrophobicContact CB-CD1 4.49Å; P675-L678 HydrophobicContact CB-CG 4.31Å; P675-L678 HydrophobicContact CG-CD1 4.25Å; P675-L678 PolarHBondContact O-N 3.41Å; S676-L678 VanDerWaalsContact C-N 3.33Å; S676-L678 PolarHBondContact O-N 3.18Å; L678-R680 VanDerWaalsContact C-N 3.3Å; L678-R680 PolarHBondContact O-N 2.64Å; L678-I681 HydrophobicContact CD2-CD1 3.99Å; L678-I681 WeakPolarHBondContact O-CB 3.34Å; L678-I681 PolarHBondContact O-N 3.08Å; L678-I681 VanDerWaalsContact O-N 3.14Å; L678-L682 WeakPolarHBondContact O-CG 3.45Å; L678-L682 PolarHBondContact O-N 3.35Å
679	N	93.1	Very high	89	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.2	-36.9	171.5	-77	-34.2	0	0	0	112.3	E382 R429 P605 L607 F674 S676 I681 L682 V683	E382-N679 PolarHBondContact OE1-ND2 2.91Å; E382-N679 PolarHBondContact OE2-ND2 3.16Å; R429-N679 PolarHBondContact NH2-ND2 3.02Å; P605-N679 PolarHBondContact O-ND2 3.29Å; L607-N679 HydrophobicContact CD1-CB 3.97Å; L607-N679 HydrophobicContact CG-CB 4.32Å; L607-N679 PolarHBondContact N-OD1 3.46Å; F674-N679 WeakPolarHBondContact CE1-OD1 3.39Å; S676-N679 PolarHBondContact O-N 3.42Å; N679-I681 VanDerWaalsContact C-N 3.3Å; N679-I681 PolarHBondContact O-N 3.33Å; N679-L682 WeakPolarHBondContact O-CB 3.41Å; N679-L682 PolarHBondContact O-N 2.88Å; N679-V683 VanDerWaalsContact O-CG2 3.31Å; N679-V683 WeakPolarHBondContact O-CG2 3.31Å; N679-V683 PolarHBondContact O-N 2.86Å
680	R	91.5	Very high	89.2	Confident	117 Å²	117	34.2 Å²	34.2	44%	0.442	18%	0.183	S	C	.	.	H	α-helix	trans	-63.5	-36.4	173.4	-71.9	-174.5	-73.3	-108.4	2.7	112.2	S676 Y677 L678 G684	S676-R680 PolarHBondContact O-N 3.31Å; Y677-R680 WeakPolarHBondContact O-CB 3.39Å; Y677-R680 PolarHBondContact O-N 2.97Å; L678-R680 VanDerWaalsContact C-N 3.3Å; L678-R680 PolarHBondContact O-N 2.64Å; R680-G684 PolarHBondContact O-N 3.33Å
681	I	92.7	Very high	89	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-63.7	-47.1	173.5	-69.2	154.5	0	0	0	110.8	F660 Y677 L678 N679 V683 G684 V685 W762 L763	F660-I681 HydrophobicContact CD2-CG2 4.16Å; F660-I681 HydrophobicContact CE2-CB 4.12Å; F660-I681 HydrophobicContact CE2-CD1 4.34Å; F660-I681 HydrophobicContact CE2-CG2 3.5Å; F660-I681 VanDerWaalsContact CE2-CG2 3.5Å; F660-I681 HydrophobicContact CZ-CB 4.37Å; F660-I681 HydrophobicContact CZ-CG2 4Å; Y677-I681 HydrophobicContact CD1-CD1 3.83Å; Y677-I681 HydrophobicContact CE1-CD1 3.28Å; Y677-I681 HydrophobicContact CE1-CG1 4.34Å; Y677-I681 HydrophobicContact CE2-CD1 4.19Å; Y677-I681 HydrophobicContact CE2-CG1 4.44Å; Y677-I681 HydrophobicContact CG-CD1 4.48Å; Y677-I681 VanDerWaalsContact CZ-CD1 3.47Å; Y677-I681 PolarHBondContact O-N 2.81Å; Y677-I681 VanDerWaalsContact O-N 3.1Å; L678-I681 HydrophobicContact CD2-CD1 3.99Å; L678-I681 WeakPolarHBondContact O-CB 3.34Å; L678-I681 PolarHBondContact O-N 3.08Å; L678-I681 VanDerWaalsContact O-N 3.14Å; N679-I681 VanDerWaalsContact C-N 3.3Å; N679-I681 PolarHBondContact O-N 3.33Å; I681-V683 PolarHBondContact O-N 3.18Å; I681-G684 PolarHBondContact O-N 2.94Å; I681-G684 VanDerWaalsContact O-N 3.1Å; I681-V685 PolarHBondContact O-N 3.46Å; I681-W762 HydrophobicContact CG1-CZ2 4.21Å; I681-W762 PolarHBondContact O-NE1 3Å; I681-L763 HydrophobicContact CG2-CD2 3.86Å
682	L	94.4	Very high	88.6	Confident	3 Å²	3	32 Å²	32	2%	0.016	18%	0.183	C	C	.	.	H	α-helix	trans	-55.9	-49.3	176.5	-68.2	176.1	0	0	0	111.8	R606 L607 L609 I611 F660 L678 N679 G684 V685	R606-L682 HydrophobicContact CG-CD1 4.38Å; L607-L682 HydrophobicContact CB-CD1 3.89Å; L609-L682 HydrophobicContact CD1-CB 3.97Å; I611-L682 HydrophobicContact CD1-CD2 3.27Å; I611-L682 HydrophobicContact CG1-CD2 3.99Å; F660-L682 HydrophobicContact CD1-CD2 4.24Å; F660-L682 HydrophobicContact CE1-CD2 3.37Å; F660-L682 HydrophobicContact CE1-CG 4.04Å; F660-L682 HydrophobicContact CZ-CD2 3.93Å; F660-L682 HydrophobicContact CZ-CG 4.14Å; L678-L682 WeakPolarHBondContact O-CG 3.45Å; L678-L682 PolarHBondContact O-N 3.35Å; N679-L682 WeakPolarHBondContact O-CB 3.41Å; N679-L682 PolarHBondContact O-N 2.88Å; L682-G684 PolarHBondContact O-N 3.03Å; L682-V685 WeakPolarHBondContact O-CB 3.46Å; L682-V685 WeakPolarHBondContact O-CG2 3.43Å; L682-V685 PolarHBondContact O-N 2.92Å
683	V	94.1	Very high	87.7	Confident	9 Å²	9	28.3 Å²	28.3	6%	0.055	17%	0.172	C	C	.	.	H	α-helix	trans	-61.7	-31.5	177.9	169.3	0	0	0	0	112.3	V462 L607 N679 I681 V685 K687	V462-V683 HydrophobicContact CB-CG2 4.31Å; V462-V683 HydrophobicContact CG1-CG2 4.1Å; V462-V683 HydrophobicContact CG2-CG2 3.79Å; L607-V683 HydrophobicContact CD1-CG2 3.35Å; N679-V683 VanDerWaalsContact O-CG2 3.31Å; N679-V683 WeakPolarHBondContact O-CG2 3.31Å; N679-V683 PolarHBondContact O-N 2.86Å; I681-V683 PolarHBondContact O-N 3.18Å; V683-V685 VanDerWaalsContact C-N 3.29Å; V683-V685 PolarHBondContact O-N 3.06Å; V683-K687 WeakPolarHBondContact O-CD 3.23Å; V683-K687 WeakPolarHBondContact O-CE 3.42Å
684	G	92.9	Very high	86.2	Confident	9 Å²	9	32.9 Å²	32.9	9%	0.093	19%	0.189	C	C	.	.	H	α-helix	trans	-69.3	-23.4	178.6	0	0	0	0	0	114	R680 I681 L682 S686 K687 H688	R680-G684 PolarHBondContact O-N 3.33Å; I681-G684 PolarHBondContact O-N 2.94Å; I681-G684 VanDerWaalsContact O-N 3.1Å; L682-G684 PolarHBondContact O-N 3.03Å; G684-S686 PolarHBondContact O-N 2.78Å; G684-K687 WeakPolarHBondContact O-CB 3.41Å; G684-K687 PolarHBondContact O-N 3.27Å; G684-H688 PolarHBondContact O-N 2.84Å; G684-H688 PolarHBondContact O-ND1 3.17Å
685	V	94.5	Very high	84.3	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-54.8	-58	-169.3	168.3	0	0	0	0	112.7	L484 I611 I681 L682 V683 K687 H688 L759 L763	L484-V685 HydrophobicContact CD1-CG1 4.37Å; L484-V685 HydrophobicContact CD2-CG1 4.21Å; I611-V685 HydrophobicContact CD1-CG2 3.66Å; I611-V685 HydrophobicContact CG1-CG2 4.1Å; I611-V685 HydrophobicContact CG2-CG1 4.29Å; I611-V685 HydrophobicContact CG2-CG2 4.47Å; I681-V685 PolarHBondContact O-N 3.46Å; L682-V685 WeakPolarHBondContact O-CB 3.46Å; L682-V685 WeakPolarHBondContact O-CG2 3.43Å; L682-V685 PolarHBondContact O-N 2.92Å; V683-V685 VanDerWaalsContact C-N 3.29Å; V683-V685 PolarHBondContact O-N 3.06Å; V685-K687 PolarHBondContact O-N 3.32Å; V685-H688 PolarHBondContact O-N 2.86Å; V685-L759 HydrophobicContact CB-CD1 4.11Å; V685-L759 HydrophobicContact CG1-CD1 3.97Å; V685-L759 HydrophobicContact CG1-CD2 4.2Å; V685-L759 HydrophobicContact CG2-CD1 4.1Å; V685-L763 HydrophobicContact CG2-CD2 4.08Å
686	S	91.1	Very high	82.4	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-69.6	-24.7	-175.7	59.8	0	0	0	0	113.1	G541 P543 G684 H688 F689	G541-S686 CarbonylContact O-C 3.4Å; G541-S686 WeakPolarHBondContact O-CB 3.48Å; G541-S686 PolarHBondContact O-OG 2.99Å; P543-S686 VanDerWaalsContact CD-OG 3.27Å; P543-S686 WeakPolarHBondContact CD-OG 3.49Å; P543-S686 WeakPolarHBondContact CG-OG 3.41Å; G684-S686 PolarHBondContact O-N 2.78Å; S686-H688 VanDerWaalsContact C-N 3.25Å; S686-H688 PolarHBondContact O-N 3.26Å; S686-F689 WeakPolarHBondContact O-CB 3.45Å; S686-F689 PolarHBondContact O-N 2.97Å; S686-F689 VanDerWaalsContact O-N 3.09Å
687	K	91	Very high	80.6	Confident	33 Å²	33	47.9 Å²	47.9	14%	0.143	25%	0.253	C	S	.	.	H	α-helix	trans	-68.9	-25.8	179.2	-58.1	176.7	-179.5	-178.8	0	111.9	L458 C461 V683 G684 V685 F689 V690	L458-K687 WeakPolarHBondContact O-CD 3.33Å; L458-K687 WeakPolarHBondContact O-CE 3.48Å; L458-K687 PolarHBondContact O-NZ 3.34Å; C461-K687 PolarHBondContact O-NZ 3.49Å; V683-K687 WeakPolarHBondContact O-CD 3.23Å; V683-K687 WeakPolarHBondContact O-CE 3.42Å; G684-K687 WeakPolarHBondContact O-CB 3.41Å; G684-K687 PolarHBondContact O-N 3.27Å; V685-K687 PolarHBondContact O-N 3.32Å; K687-F689 PolarHBondContact O-N 3.17Å; K687-V690 PolarHBondContact O-N 3.2Å
688	H	93	Very high	79.4	Confident	39 Å²	39	45.8 Å²	45.8	18%	0.181	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-12.9	173.3	-70.1	82.3	0	0	0	113.2	G684 V685 S686 V690 C755 L759 W762	G684-H688 PolarHBondContact O-N 2.84Å; G684-H688 PolarHBondContact O-ND1 3.17Å; V685-H688 PolarHBondContact O-N 2.86Å; S686-H688 VanDerWaalsContact C-N 3.25Å; S686-H688 PolarHBondContact O-N 3.26Å; H688-V690 PolarHBondContact O-N 3.19Å; H688-C755 WeakPolarHBondContact O-CB 3.34Å; H688-C755 PolarHBondContact O-SG 2.81Å; H688-L759 HydrophobicContact CB-CB 3.93Å; H688-L759 HydrophobicContact CB-CD1 4.3Å; H688-W762 AromaticContact CE1-CD1 3.76Å; H688-W762 AromaticContact CE1-CD2 3.46Å; H688-W762 VanDerWaalsContact CE1-CD2 3.46Å; H688-W762 AromaticContact CE1-CE2 3.87Å; H688-W762 AromaticContact CE1-CE3 3.9Å; H688-W762 AromaticContact CE1-CG 3.4Å; H688-W762 AromaticContact CE1-NE1 3.99Å; H688-W762 AromaticContact NE2-CD2 3.89Å; H688-W762 AromaticContact NE2-CE3 3.98Å; H688-W762 AromaticContact NE2-CG 3.81Å
689	F	92.7	Very high	78.4	Confident	3 Å²	3	47.4 Å²	47.4	1%	0.013	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-2.9	173.8	-56.7	-34.6	0	0	0	113.4	L618 S686 K687 N702 V703 I704 L759	L618-F689 HydrophobicContact CD1-CZ 4Å; S686-F689 WeakPolarHBondContact O-CB 3.45Å; S686-F689 PolarHBondContact O-N 2.97Å; S686-F689 VanDerWaalsContact O-N 3.09Å; K687-F689 PolarHBondContact O-N 3.17Å; F689-N702 CarbonylContact O-C 3.5Å; F689-N702 WeakPolarHBondContact O-CA 3.21Å; F689-V703 WeakPolarHBondContact O-CG2 3.07Å; F689-V703 PolarHBondContact O-N 2.98Å; F689-I704 HydrophobicContact CB-CB 4.11Å; F689-I704 HydrophobicContact CB-CG1 3.8Å; F689-I704 HydrophobicContact CD1-CB 4.29Å; F689-I704 HydrophobicContact CD1-CD1 4.37Å; F689-I704 HydrophobicContact CD1-CG1 3.36Å; F689-I704 HydrophobicContact CD2-CB 4.18Å; F689-I704 HydrophobicContact CD2-CG1 4.12Å; F689-I704 HydrophobicContact CE1-CG1 3.84Å; F689-I704 HydrophobicContact CG-CB 3.97Å; F689-I704 HydrophobicContact CG-CG1 3.5Å; F689-I704 HydrophobicContact CZ-CG1 4.43Å; F689-L759 HydrophobicContact CD1-CD2 4.23Å; F689-L759 HydrophobicContact CE1-CD2 3.28Å; F689-L759 HydrophobicContact CZ-CD2 3.56Å
690	V	90	Very high	78	Confident	32 Å²	32	48.5 Å²	48.5	19%	0.194	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-91	118.1	176.7	-177.8	0	0	0	0	109.4	R539 L540 K687 H688 A692 K701	R539-V690 WeakPolarHBondContact O-CG1 3.39Å; L540-V690 VanDerWaalsContact C-CG2 3.42Å; L540-V690 WeakPolarHBondContact O-CG2 3.29Å; K687-V690 PolarHBondContact O-N 3.2Å; H688-V690 PolarHBondContact O-N 3.19Å; V690-A692 PolarHBondContact O-N 3.11Å; V690-K701 HydrophobicContact CG1-CB 3.66Å; V690-K701 HydrophobicContact CG1-CD 4.17Å
691	A	80.3	Confident	77.8	Confident	11 Å²	11	44.4 Å²	44.4	9%	0.091	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-68.9	131.8	179.4	0	0	0	0	0	112.1	C695 K701 V703	A691-C695 HydrophobicContact CB-CB 4.12Å; A691-K701 PolarHBondContact N-O 3.09Å; A691-V703 HydrophobicContact CB-CG1 3.67Å
692	A	68.7	Low	77.8	Confident	92 Å²	92	44.6 Å²	44.6	76%	0.76	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-82.9	144.4	174.2	0	0	0	0	0	112.4	V690 Q694	V690-A692 PolarHBondContact O-N 3.11Å; A692-Q694 PolarHBondContact O-N 3.12Å
693	G	58.4	Low	77.7	Confident	58 Å²	58	44.5 Å²	44.5	60%	0.598	25%	0.253	S	S	*	.	S	Bend	trans	79.3	-44.1	158.6	0	0	0	0	0	118.5
694	Q	49.2	Very low	77.6	Confident	137 Å²	137	44.1 Å²	44.1	64%	0.64	25%	0.25	S	S	*	.	S	Bend	trans	-104	-24.2	-175.5	-73.4	-170.4	-2.5	0	0	114.5	A692 E696	A692-Q694 PolarHBondContact O-N 3.12Å; Q694-E696 PolarHBondContact O-N 3.01Å; Q694-E696 VanDerWaalsContact O-N 3.15Å
695	C	47.8	Very low	77.5	Confident	16 Å²	16	44.1 Å²	44.1	11%	0.108	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-76.8	8.9	176.3	-131.4	0	0	0	0	112.8	A691 K697 S698 K701	A691-C695 HydrophobicContact CB-CB 4.12Å; C695-K697 PolarHBondContact O-N 3.13Å; C695-S698 WeakPolarHBondContact O-CA 3.38Å; C695-S698 PolarHBondContact O-N 2.94Å; C695-S698 VanDerWaalsContact O-O 3.04Å; C695-S698 VanDerWaalsContact SG-CB 3.57Å; C695-K701 HydrophobicContact CB-CG 4.38Å
696	E	48.1	Very low	77.3	Confident	155 Å²	155	44.2 Å²	44.2	72%	0.724	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-55.1	-29.1	-178.2	-76.4	-171.5	167.8	0	0	113.4	Q694	Q694-E696 PolarHBondContact O-N 3.01Å; Q694-E696 VanDerWaalsContact O-N 3.15Å
697	K	49.5	Very low	77	Confident	206 Å²	206	44.8 Å²	44.8	90%	0.896	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-77.8	-25	174.9	-67.9	-172.5	-179.5	-179.2	0	113.8	C695	C695-K697 PolarHBondContact O-N 3.13Å
698	S	63.1	Low	76.3	Confident	37 Å²	37	47.3 Å²	47.3	26%	0.259	27%	0.271	S	S	.	.			trans	-83.4	124.1	176.1	-176.6	0	0	0	0	109.2	C695 L700	C695-S698 WeakPolarHBondContact O-CA 3.38Å; C695-S698 PolarHBondContact O-N 2.94Å; C695-S698 VanDerWaalsContact O-O 3.04Å; C695-S698 VanDerWaalsContact SG-CB 3.57Å; S698-L700 PolarHBondContact O-N 2.87Å; S698-L700 PolarHBondContact OG-N 2.99Å; S698-L700 PolarHBondContact OG-O 3.33Å
699	S	70.6	Confident	75.5	Confident	34 Å²	34	47.1 Å²	47.1	24%	0.238	28%	0.28	C	S	.	.	S	Bend	trans	-63.6	-22.4	171.1	55.5	0	0	0	0	112.2
700	L	84.7	Confident	74.9	Confident	23 Å²	23	51.3 Å²	51.3	12%	0.12	30%	0.296	C	S	.	.			trans	-110.2	98.5	179.6	-48.8	-177.5	0	0	0	109.7	I534 Y538 S698 T707 H717	I534-L700 HydrophobicContact CG2-CD2 3.64Å; Y538-L700 CarbonylContact O-C 3.51Å; Y538-L700 WeakPolarHBondContact O-CA 3.27Å; S698-L700 PolarHBondContact O-N 2.87Å; S698-L700 PolarHBondContact OG-N 2.99Å; S698-L700 PolarHBondContact OG-O 3.33Å; L700-T707 HydrophobicContact CD1-CG2 4.29Å; L700-H717 PolarHBondContact O-CE1 3.45Å; L700-H717 VanDerWaalsContact O-CE1 3.31Å; L700-H717 PolarHBondContact O-NE2 2.93Å
701	K	87.9	Confident	74.5	Confident	30 Å²	30	57.3 Å²	57.3	13%	0.13	32%	0.32	C	S	.	.			trans	-92.2	-12.4	-171.9	-60.1	178.6	-175.3	173.2	0	114.1	E454 Y538 R539 V690 A691 C695 V703	E454-K701 IonicContact OE1-NZ 3.58Å; E454-K701 PolarHBondContact OE1-NZ 2.99Å; E454-K701 VanDerWaalsContact OE1-NZ 3.15Å; Y538-K701 PolarHBondContact O-N 3.49Å; R539-K701 HydrophobicContact CG-CD 4.34Å; V690-K701 HydrophobicContact CG1-CB 3.66Å; V690-K701 HydrophobicContact CG1-CD 4.17Å; A691-K701 PolarHBondContact N-O 3.09Å; C695-K701 HydrophobicContact CB-CG 4.38Å; K701-V703 PolarHBondContact O-N 2.76Å
702	N	92.2	Very high	74.6	Confident	6 Å²	6	58.5 Å²	58.5	3%	0.032	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-71.4	119.5	179.5	-172.1	-30.9	0	0	0	110.6	A537 Y538 F689 I704 Q705	A537-N702 PolarHBondContact O-ND2 3.07Å; Y538-N702 WeakPolarHBondContact O-CB 3.44Å; Y538-N702 PolarHBondContact O-N 3.45Å; F689-N702 CarbonylContact O-C 3.5Å; F689-N702 WeakPolarHBondContact O-CA 3.21Å; N702-I704 PolarHBondContact OD1-N 3.38Å; N702-Q705 WeakPolarHBondContact CB-O 3.31Å; N702-Q705 VanDerWaalsContact CG-O 3.28Å; N702-Q705 PolarHBondContact OD1-N 3.09Å; N702-Q705 PolarHBondContact OD1-O 3.42Å
703	V	92.3	Very high	75.5	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.006	30%	0.297	C	S	.	.	S	Bend	trans	-84.5	-16.6	-175.9	-53.6	0	0	0	0	113.1	F689 A691 K701 N751 V752 C755	F689-V703 WeakPolarHBondContact O-CG2 3.07Å; F689-V703 PolarHBondContact O-N 2.98Å; A691-V703 HydrophobicContact CB-CG1 3.67Å; K701-V703 PolarHBondContact O-N 2.76Å; V703-N751 HydrophobicContact CG1-CB 4.24Å; V703-V752 HydrophobicContact CB-CG2 4.16Å; V703-V752 HydrophobicContact CG2-CG2 4.12Å; V703-C755 HydrophobicContact CG2-CB 3.95Å
704	I	92.5	Very high	77.1	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	27%	0.272	C	S	.	.	S	Bend	trans	-98.5	-46.6	-176.2	-62.7	-54.6	0	0	0	111.3	L618 F689 N702 Y714 F715 V752	L618-I704 HydrophobicContact CD2-CB 4.47Å; L618-I704 HydrophobicContact CD2-CD1 4.08Å; L618-I704 HydrophobicContact CD2-CG1 4.42Å; L618-I704 HydrophobicContact CD2-CG2 3.29Å; L618-I704 HydrophobicContact CG-CG2 4.29Å; F689-I704 HydrophobicContact CB-CB 4.11Å; F689-I704 HydrophobicContact CB-CG1 3.8Å; F689-I704 HydrophobicContact CD1-CB 4.29Å; F689-I704 HydrophobicContact CD1-CD1 4.37Å; F689-I704 HydrophobicContact CD1-CG1 3.36Å; F689-I704 HydrophobicContact CD2-CB 4.18Å; F689-I704 HydrophobicContact CD2-CG1 4.12Å; F689-I704 HydrophobicContact CE1-CG1 3.84Å; F689-I704 HydrophobicContact CG-CB 3.97Å; F689-I704 HydrophobicContact CG-CG1 3.5Å; F689-I704 HydrophobicContact CZ-CG1 4.43Å; N702-I704 PolarHBondContact OD1-N 3.38Å; I704-Y714 HydrophobicContact CG2-CD1 3.94Å; I704-Y714 HydrophobicContact CG2-CE1 4.12Å; I704-Y714 CarbonylContact O-C 3.48Å; I704-Y714 WeakPolarHBondContact O-CA 3.11Å; I704-F715 HydrophobicContact CD1-CD1 3.95Å; I704-F715 HydrophobicContact CD1-CE1 3.56Å; I704-F715 PolarHBondContact O-N 3.01Å; I704-V752 HydrophobicContact CD1-CG1 4.2Å
705	Q	90.1	Very high	79.3	Confident	8 Å²	8	46.7 Å²	46.7	4%	0.037	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.3	-178.1	-66.3	179.8	-10.4	0	0	110.3	D482 Y538 N702 Y714	D482-Q705 PolarHBondContact OD1-NE2 3.08Å; D482-Q705 PolarHBondContact OD2-OE1 3.44Å; D482-Q705 VanDerWaalsContact OD2-OE1 3.11Å; Y538-Q705 WeakPolarHBondContact CD1-O 3.32Å; Y538-Q705 HydrophobicContact CE1-CB 4.16Å; N702-Q705 WeakPolarHBondContact CB-O 3.31Å; N702-Q705 VanDerWaalsContact CG-O 3.28Å; N702-Q705 PolarHBondContact OD1-N 3.09Å; N702-Q705 PolarHBondContact OD1-O 3.42Å; Q705-Y714 HydrophobicContact CG-CD1 4.19Å; Q705-Y714 HydrophobicContact CG-CE1 3.79Å; Q705-Y714 PolarHBondContact NE2-OH 3.04Å
706	G	89.2	Confident	81.3	Confident	3 Å²	3	46.7 Å²	46.7	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	-163.5	173.7	0	0	0	0	0	111.7	S712 V713	G706-S712 WeakPolarHBondContact O-CA 2.91Å; G706-V713 PolarHBondContact N-O 2.77Å; G706-V713 PolarHBondContact O-N 2.91Å
707	T	85.8	Confident	83.3	Confident	16 Å²	16	41 Å²	41	10%	0.098	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	148.1	-179.6	-170.4	0	0	0	0	112.2	G529 Y538 L700 G709 K711	G529-T707 WeakPolarHBondContact CA-OG1 3.3Å; Y538-T707 HydrophobicContact CD2-CG2 4.21Å; Y538-T707 HydrophobicContact CE2-CG2 3.96Å; L700-T707 HydrophobicContact CD1-CG2 4.29Å; T707-G709 PolarHBondContact OG1-O 3.33Å; T707-K711 CarbonylContact C-O 3.31Å; T707-K711 VanDerWaalsContact CA-O 3.29Å; T707-K711 WeakPolarHBondContact CA-O 3.4Å; T707-K711 PolarHBondContact OG1-O 3.33Å; T707-K711 VanDerWaalsContact OG1-O 3.05Å
708	T	76	Confident	85.5	Confident	85 Å²	85	31.1 Å²	31.1	52%	0.521	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	101.5	164.9	57.6	0	0	0	0	108.5	Y710 K711 V713	T708-Y710 PolarHBondContact O-N 2.96Å; T708-K711 PolarHBondContact N-O 3.06Å; T708-K711 PolarHBondContact O-N 3.23Å; T708-V713 HydrophobicContact CG2-CG2 3.75Å; T708-V713 WeakPolarHBondContact OG1-CG2 3.49Å
709	G	77.2	Confident	86.9	Confident	36 Å²	36	32.2 Å²	32.2	37%	0.371	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	-122.8	-165.4	0	0	0	0	0	110	T707	T707-G709 PolarHBondContact OG1-O 3.33Å
710	Y	78.4	Confident	87.9	Confident	91 Å²	91	33.9 Å²	33.9	36%	0.357	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-8.8	177	-57.7	-65	0	0	0	114	T211 G528 G529 T708	T211-Y710 HydrophobicContact CG2-CD2 3.92Å; T211-Y710 HydrophobicContact CG2-CE2 3.61Å; G528-Y710 WeakPolarHBondContact CA-O 3.37Å; G529-Y710 PolarHBondContact N-O 2.9Å; G529-Y710 VanDerWaalsContact N-O 3.09Å; T708-Y710 PolarHBondContact O-N 2.96Å
711	K	82.1	Confident	88.2	Confident	158 Å²	158	33.2 Å²	33.2	69%	0.687	18%	0.181	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	134.7	-175.9	-66	-172.4	178.7	-172.8	0	111.8	T707 T708	T707-K711 CarbonylContact C-O 3.31Å; T707-K711 VanDerWaalsContact CA-O 3.29Å; T707-K711 WeakPolarHBondContact CA-O 3.4Å; T707-K711 PolarHBondContact OG1-O 3.33Å; T707-K711 VanDerWaalsContact OG1-O 3.05Å; T708-K711 PolarHBondContact N-O 3.06Å; T708-K711 PolarHBondContact O-N 3.23Å
712	S	83.1	Confident	88.6	Confident	35 Å²	35	32.1 Å²	32.1	25%	0.245	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	144.5	171.1	-162	0	0	0	0	111.2	S526 G706	S526-S712 VanDerWaalsContact CB-CB 3.42Å; G706-S712 WeakPolarHBondContact O-CA 2.91Å
713	V	87.4	Confident	88.5	Confident	23 Å²	23	38.4 Å²	38.4	14%	0.139	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	123	178.3	-179.6	0	0	0	0	109.7	G706 T708 P716 K719	G706-V713 PolarHBondContact N-O 2.77Å; G706-V713 PolarHBondContact O-N 2.91Å; T708-V713 HydrophobicContact CG2-CG2 3.75Å; T708-V713 WeakPolarHBondContact OG1-CG2 3.49Å; V713-P716 HydrophobicContact CG1-CB 4.43Å; V713-K719 HydrophobicContact CG1-CD 3.51Å
714	Y	92.6	Very high	88.4	Confident	17 Å²	17	42 Å²	42	7%	0.067	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	138.4	163.4	-81.9	-81.6	0	0	0	111	S483 L618 D621 I704 Q705 K719	S483-Y714 WeakPolarHBondContact CB-OH 3.12Å; L618-Y714 HydrophobicContact CD2-CD1 4.46Å; D621-Y714 HydrophobicContact CB-CD2 4.15Å; D621-Y714 HydrophobicContact CB-CG 4.03Å; D621-Y714 VanDerWaalsContact CG-CD2 3.46Å; D621-Y714 WeakPolarHBondContact OD2-CD2 3.26Å; I704-Y714 HydrophobicContact CG2-CD1 3.94Å; I704-Y714 HydrophobicContact CG2-CE1 4.12Å; I704-Y714 CarbonylContact O-C 3.48Å; I704-Y714 WeakPolarHBondContact O-CA 3.11Å; Q705-Y714 HydrophobicContact CG-CD1 4.19Å; Q705-Y714 HydrophobicContact CG-CE1 3.79Å; Q705-Y714 PolarHBondContact NE2-OH 3.04Å; Y714-K719 VanDerWaalsContact O-CD 3.22Å; Y714-K719 WeakPolarHBondContact O-CD 3.33Å; Y714-K719 WeakPolarHBondContact O-CE 3.37Å; Y714-K719 PolarHBondContact O-NZ 3.29Å
715	F	93.8	Very high	88.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	55.2	54.6	-175.9	-46.9	-78.6	0	0	0	112.5	L618 D621 W622 I650 I704 H717 V718 K719 V752	L618-F715 HydrophobicContact CD2-CE1 4.14Å; L618-F715 HydrophobicContact CD2-CZ 3.7Å; D621-F715 HydrophobicContact CB-CE2 4.32Å; W622-F715 HydrophobicContact CB-CE2 4.06Å; W622-F715 HydrophobicContact CB-CZ 4.18Å; W622-F715 HydrophobicContact CE3-CD1 4.14Å; W622-F715 AromaticContact CE3-CD2 3.86Å; W622-F715 HydrophobicContact CE3-CD2 3.86Å; W622-F715 HydrophobicContact CE3-CE1 4Å; W622-F715 AromaticContact CE3-CE2 3.75Å; W622-F715 HydrophobicContact CE3-CE2 3.75Å; W622-F715 HydrophobicContact CE3-CG 4.06Å; W622-F715 AromaticContact CE3-CZ 3.81Å; W622-F715 HydrophobicContact CE3-CZ 3.81Å; W622-F715 HydrophobicContact CZ3-CD1 4.23Å; W622-F715 HydrophobicContact CZ3-CD2 4.39Å; W622-F715 HydrophobicContact CZ3-CE1 4.46Å; W622-F715 HydrophobicContact CZ3-CG 4.18Å; I650-F715 HydrophobicContact CD1-CZ 4.11Å; I704-F715 HydrophobicContact CD1-CD1 3.95Å; I704-F715 HydrophobicContact CD1-CE1 3.56Å; I704-F715 PolarHBondContact O-N 3.01Å; F715-H717 PolarHBondContact O-N 2.77Å; F715-V718 HydrophobicContact CB-CB 4.06Å; F715-V718 HydrophobicContact CB-CG2 4.38Å; F715-V718 PolarHBondContact O-N 3.37Å; F715-K719 WeakPolarHBondContact O-CB 3.36Å; F715-K719 PolarHBondContact O-N 3.11Å; F715-V752 HydrophobicContact CD1-CG1 4.14Å; F715-V752 HydrophobicContact CD1-CG2 4.16Å; F715-V752 HydrophobicContact CE1-CG1 3.98Å
716	P	91.1	Very high	88.4	Confident	15 Å²	15	43.6 Å²	43.6	10%	0.097	23%	0.229	C	C	.	.	H	α-helix	trans	-58.7	-45.5	-170	25.6	-36.3	0	0	0	112.7	V713 K719 S720	V713-P716 HydrophobicContact CG1-CB 4.43Å; P716-K719 PolarHBondContact O-N 2.84Å; P716-S720 WeakPolarHBondContact O-CB 3.44Å; P716-S720 PolarHBondContact O-N 3.13Å
717	H	90.6	Very high	88.2	Confident	35 Å²	35	47.1 Å²	47.1	16%	0.162	25%	0.246	C	C	.	.	H	α-helix	trans	-71.1	-39.5	-177.2	-56.5	-49.9	0	0	0	112.2	L700 F715 S720 S721 E748	L700-H717 PolarHBondContact O-CE1 3.45Å; L700-H717 VanDerWaalsContact O-CE1 3.31Å; L700-H717 PolarHBondContact O-NE2 2.93Å; F715-H717 PolarHBondContact O-N 2.77Å; H717-S720 PolarHBondContact O-N 3.14Å; H717-S721 WeakPolarHBondContact O-CB 3.35Å; H717-S721 PolarHBondContact O-N 2.69Å; H717-S721 PolarHBondContact O-OG 3.38Å; H717-E748 HydrophobicContact CB-CB 4.48Å; H717-E748 HydrophobicContact CB-CG 3.95Å; H717-E748 WeakPolarHBondContact CB-OE2 3.43Å
718	V	94.4	Very high	88.2	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.3	-45.3	173.6	178.2	0	0	0	0	110.9	W622 F625 F715 S721 F722 F745 E748 L749 V752	W622-V718 HydrophobicContact CH2-CG1 4.43Å; W622-V718 HydrophobicContact CZ3-CG1 4.31Å; F625-V718 HydrophobicContact CD1-CG1 4.48Å; F625-V718 HydrophobicContact CE1-CG1 3.52Å; F625-V718 HydrophobicContact CZ-CG1 3.64Å; F715-V718 HydrophobicContact CB-CB 4.06Å; F715-V718 HydrophobicContact CB-CG2 4.38Å; F715-V718 PolarHBondContact O-N 3.37Å; V718-S721 WeakPolarHBondContact CA-OG 3.38Å; V718-S721 PolarHBondContact O-OG 3.2Å; V718-S721 VanDerWaalsContact O-OG 3.05Å; V718-F722 WeakPolarHBondContact O-CB 3.34Å; V718-F722 PolarHBondContact O-N 3.3Å; V718-F745 HydrophobicContact CG1-CD2 4.39Å; V718-F745 HydrophobicContact CG1-CE2 3.64Å; V718-F745 HydrophobicContact CG1-CZ 4.48Å; V718-E748 HydrophobicContact CG2-CB 3.9Å; V718-L749 HydrophobicContact CG1-CD2 3.83Å; V718-L749 HydrophobicContact CG2-CD2 4.42Å; V718-V752 HydrophobicContact CG2-CG2 3.71Å
719	K	93.4	Very high	88.7	Confident	59 Å²	59	46 Å²	46	26%	0.257	23%	0.233	S	C	.	.	H	α-helix	trans	-66.9	-37.9	177.8	-76.5	176	179.8	163.7	0	112.2	F625 V713 Y714 F715 P716 K723	F625-K719 HydrophobicContact CD2-CD 4.46Å; F625-K719 HydrophobicContact CD2-CG 3.8Å; F625-K719 HydrophobicContact CE2-CG 3.66Å; F625-K719 HydrophobicContact CZ-CG 4.47Å; V713-K719 HydrophobicContact CG1-CD 3.51Å; Y714-K719 VanDerWaalsContact O-CD 3.22Å; Y714-K719 WeakPolarHBondContact O-CD 3.33Å; Y714-K719 WeakPolarHBondContact O-CE 3.37Å; Y714-K719 PolarHBondContact O-NZ 3.29Å; F715-K719 WeakPolarHBondContact O-CB 3.36Å; F715-K719 PolarHBondContact O-N 3.11Å; P716-K719 PolarHBondContact O-N 2.84Å; K719-K723 PolarHBondContact O-N 2.87Å
720	S	90.1	Very high	89.1	Confident	69 Å²	69	48.5 Å²	48.5	48%	0.483	24%	0.238	S	C	.	.	H	α-helix	trans	-65	-50.5	176.8	-172.1	0	0	0	0	111.7	P716 H717 F722 K723 N724	P716-S720 WeakPolarHBondContact O-CB 3.44Å; P716-S720 PolarHBondContact O-N 3.13Å; H717-S720 PolarHBondContact O-N 3.14Å; S720-F722 PolarHBondContact O-N 2.93Å; S720-K723 WeakPolarHBondContact O-CB 3.41Å; S720-K723 PolarHBondContact O-N 2.92Å; S720-N724 PolarHBondContact O-N 2.76Å
721	S	92.6	Very high	89.2	Confident	10 Å²	10	51.5 Å²	51.5	7%	0.07	25%	0.253	C	S	.	.	H	α-helix	trans	-64.6	-38.1	177	52.4	0	0	0	0	112.2	H717 V718 K723 N724 L725 F745	H717-S721 WeakPolarHBondContact O-CB 3.35Å; H717-S721 PolarHBondContact O-N 2.69Å; H717-S721 PolarHBondContact O-OG 3.38Å; V718-S721 WeakPolarHBondContact CA-OG 3.38Å; V718-S721 PolarHBondContact O-OG 3.2Å; V718-S721 VanDerWaalsContact O-OG 3.05Å; S721-K723 VanDerWaalsContact C-N 3.34Å; S721-K723 PolarHBondContact O-N 2.78Å; S721-N724 PolarHBondContact O-N 3.46Å; S721-L725 PolarHBondContact O-N 3.03Å; S721-F745 WeakPolarHBondContact OG-CD2 3.45Å
722	F	95.1	Very high	89.1	Confident	7 Å²	7	46.7 Å²	46.7	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-59.9	-42.2	172.8	179.6	-111.8	0	0	0	112.5	F625 V629 Q632 I633 I636 V718 S720 N724 L725 K726 F745	F625-F722 HydrophobicContact CE2-CB 4.38Å; F625-F722 HydrophobicContact CE2-CD1 4.17Å; F625-F722 HydrophobicContact CE2-CG 4.33Å; F625-F722 HydrophobicContact CZ-CB 4.1Å; F625-F722 HydrophobicContact CZ-CD1 4.47Å; F625-F722 HydrophobicContact CZ-CG 4.19Å; V629-F722 HydrophobicContact CB-CE2 4.12Å; V629-F722 HydrophobicContact CB-CZ 4.06Å; V629-F722 HydrophobicContact CG1-CD2 4.3Å; V629-F722 HydrophobicContact CG1-CE2 3.64Å; V629-F722 HydrophobicContact CG1-CZ 4.02Å; V629-F722 HydrophobicContact CG2-CD1 4.13Å; V629-F722 HydrophobicContact CG2-CD2 3.97Å; V629-F722 HydrophobicContact CG2-CE1 3.94Å; V629-F722 HydrophobicContact CG2-CE2 3.79Å; V629-F722 HydrophobicContact CG2-CG 4.15Å; V629-F722 HydrophobicContact CG2-CZ 3.77Å; Q632-F722 HydrophobicContact CB-CE1 4.46Å; Q632-F722 HydrophobicContact CB-CZ 4.01Å; I633-F722 HydrophobicContact CD1-CE2 3.85Å; I633-F722 HydrophobicContact CD1-CZ 4.35Å; I633-F722 HydrophobicContact CG1-CE2 4.28Å; I633-F722 HydrophobicContact CG1-CZ 4.38Å; I636-F722 HydrophobicContact CD1-CE2 4.2Å; V718-F722 WeakPolarHBondContact O-CB 3.34Å; V718-F722 PolarHBondContact O-N 3.3Å; S720-F722 PolarHBondContact O-N 2.93Å; F722-N724 VanDerWaalsContact C-N 3.29Å; F722-N724 PolarHBondContact O-N 2.96Å; F722-L725 PolarHBondContact O-N 3.02Å; F722-K726 WeakPolarHBondContact O-CB 3.21Å; F722-K726 PolarHBondContact O-N 3Å; F722-F745 HydrophobicContact CB-CD2 3.96Å; F722-F745 HydrophobicContact CB-CE2 3.63Å; F722-F745 HydrophobicContact CB-CZ 4.3Å; F722-F745 HydrophobicContact CD2-CE1 4.41Å; F722-F745 HydrophobicContact CD2-CE2 4.16Å; F722-F745 AromaticContact CD2-CZ 3.98Å; F722-F745 HydrophobicContact CD2-CZ 3.98Å; F722-F745 HydrophobicContact CG-CE2 4.31Å
723	K	91.3	Very high	88.2	Confident	137 Å²	137	52.6 Å²	52.6	60%	0.596	26%	0.259	S	S	*	.	H	α-helix	trans	-59.6	-41.5	176.9	-175.9	-175.5	176.2	-171.9	0	111.4	K719 S720 S721 K726 M727	K719-K723 PolarHBondContact O-N 2.87Å; S720-K723 WeakPolarHBondContact O-CB 3.41Å; S720-K723 PolarHBondContact O-N 2.92Å; S721-K723 VanDerWaalsContact C-N 3.34Å; S721-K723 PolarHBondContact O-N 2.78Å; K723-K726 PolarHBondContact O-N 2.9Å; K723-M727 WeakPolarHBondContact O-CG 3.2Å; K723-M727 PolarHBondContact O-N 3.22Å
724	N	89.5	Confident	87	Confident	78 Å²	78	56.5 Å²	56.5	42%	0.417	28%	0.283	S	S	.	.	H	α-helix	trans	-65.9	-45.5	176.6	-65	-20.2	0	0	0	111.3	S720 S721 F722 K726 M727 L728 E741	S720-N724 PolarHBondContact O-N 2.76Å; S721-N724 PolarHBondContact O-N 3.46Å; F722-N724 VanDerWaalsContact C-N 3.29Å; F722-N724 PolarHBondContact O-N 2.96Å; N724-K726 VanDerWaalsContact C-N 3.34Å; N724-K726 PolarHBondContact O-N 3.01Å; N724-M727 WeakPolarHBondContact O-CB 3.4Å; N724-M727 PolarHBondContact O-N 3.33Å; N724-L728 PolarHBondContact O-N 3.03Å; N724-L728 VanDerWaalsContact O-N 3.13Å; N724-E741 HydrophobicContact CB-CG 4.24Å
725	L	91.3	Very high	85.5	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-59	-44.2	175.5	177.9	59.8	0	0	0	111.9	I633 S721 F722 M727 L728 Y729 E741 L742 F745	I633-L725 HydrophobicContact CD1-CG 4.42Å; S721-L725 PolarHBondContact O-N 3.03Å; F722-L725 PolarHBondContact O-N 3.02Å; L725-M727 VanDerWaalsContact C-N 3.35Å; L725-M727 PolarHBondContact O-N 3.32Å; L725-L728 PolarHBondContact O-N 3.29Å; L725-Y729 WeakPolarHBondContact O-CB 3.4Å; L725-Y729 PolarHBondContact O-N 2.82Å; L725-E741 HydrophobicContact CB-CB 4.42Å; L725-L742 HydrophobicContact CD1-CB 4Å; L725-L742 HydrophobicContact CD1-CD1 4.28Å; L725-L742 HydrophobicContact CD2-CD1 3.97Å; L725-F745 HydrophobicContact CD2-CB 4.16Å; L725-F745 HydrophobicContact CD2-CD1 3.6Å; L725-F745 HydrophobicContact CD2-CE1 4.25Å; L725-F745 HydrophobicContact CD2-CG 4.04Å
726	K	90.9	Very high	84.2	Confident	37 Å²	37	64.5 Å²	64.5	16%	0.161	32%	0.319	C	S	.	.	H	α-helix	trans	-60.7	-43.5	177	179.4	60.1	164.8	78	0	112	Q632 I633 F722 K723 N724 L728 Y729 D730	Q632-K726 HydrophobicContact CB-CD 4.12Å; Q632-K726 WeakPolarHBondContact O-CE 3.41Å; I633-K726 HydrophobicContact CD1-CD 4.16Å; I633-K726 HydrophobicContact CG1-CD 3.89Å; F722-K726 WeakPolarHBondContact O-CB 3.21Å; F722-K726 PolarHBondContact O-N 3Å; K723-K726 PolarHBondContact O-N 2.9Å; N724-K726 VanDerWaalsContact C-N 3.34Å; N724-K726 PolarHBondContact O-N 3.01Å; K726-L728 VanDerWaalsContact C-N 3.27Å; K726-L728 PolarHBondContact O-N 3.5Å; K726-Y729 HydrophobicContact CD-CD1 4.48Å; K726-Y729 PolarHBondContact O-N 3.42Å; K726-D730 IonicContact NZ-OD1 2.89Å; K726-D730 PolarHBondContact NZ-OD1 2.96Å; K726-D730 IonicContact NZ-OD2 3.75Å; K726-D730 PolarHBondContact NZ-OD2 3.24Å; K726-D730 PolarHBondContact O-N 3.43Å
727	M	86	Confident	83	Confident	77 Å²	77	68.9 Å²	68.9	38%	0.379	34%	0.341	S	S	.	.	H	α-helix	trans	-60.9	-36.8	176.7	-76.3	178.8	53.9	0	0	112.4	K723 N724 L725 K731	K723-M727 WeakPolarHBondContact O-CG 3.2Å; K723-M727 PolarHBondContact O-N 3.22Å; N724-M727 WeakPolarHBondContact O-CB 3.4Å; N724-M727 PolarHBondContact O-N 3.33Å; L725-M727 VanDerWaalsContact C-N 3.35Å; L725-M727 PolarHBondContact O-N 3.32Å; M727-K731 WeakPolarHBondContact O-CG 3.26Å
728	L	85.4	Confident	82.2	Confident	34 Å²	34	75.2 Å²	75.2	18%	0.178	38%	0.376	C	S	.	.	H	α-helix	trans	-70.9	-44.6	174	-178.4	68.5	0	0	0	111.7	N724 L725 K726 D730 K731 C732 T736 S739 E741	N724-L728 PolarHBondContact O-N 3.03Å; N724-L728 VanDerWaalsContact O-N 3.13Å; L725-L728 PolarHBondContact O-N 3.29Å; K726-L728 VanDerWaalsContact C-N 3.27Å; K726-L728 PolarHBondContact O-N 3.5Å; L728-D730 VanDerWaalsContact C-N 3.31Å; L728-D730 PolarHBondContact O-N 3.29Å; L728-K731 WeakPolarHBondContact O-CB 2.99Å; L728-K731 PolarHBondContact O-N 3.41Å; L728-C732 PolarHBondContact O-N 3.28Å; L728-T736 HydrophobicContact CD2-CG2 3.84Å; L728-T736 HydrophobicContact CG-CG2 3.92Å; L728-S739 WeakPolarHBondContact CD2-OG 3.45Å; L728-E741 WeakPolarHBondContact CD2-OE2 3.36Å
729	Y	86.3	Confident	81.8	Confident	43 Å²	43	76.2 Å²	76.2	17%	0.169	38%	0.383	C	S	.	.	H	α-helix	trans	-55.4	-45.8	178.3	178.7	-97.4	0	0	0	111.7	I633 N635 Y639 L725 K726 K731 C732 K733	I633-Y729 HydrophobicContact CD1-CD1 4.38Å; I633-Y729 HydrophobicContact CD1-CG 4.06Å; I633-Y729 HydrophobicContact CG1-CD1 4.04Å; I633-Y729 HydrophobicContact CG1-CE1 4.37Å; I633-Y729 HydrophobicContact CG1-CG 4.18Å; I633-Y729 HydrophobicContact CG2-CD2 4.09Å; I633-Y729 HydrophobicContact CG2-CE1 4.45Å; I633-Y729 HydrophobicContact CG2-CE2 3.92Å; I633-Y729 HydrophobicContact CG2-CG 4.44Å; N635-Y729 PolarHBondContact OD1-OH 3.11Å; Y639-Y729 HydrophobicContact CE2-CD2 4.39Å; Y639-Y729 HydrophobicContact CE2-CE2 4.23Å; Y639-Y729 WeakPolarHBondContact OH-CE2 3.23Å; L725-Y729 WeakPolarHBondContact O-CB 3.4Å; L725-Y729 PolarHBondContact O-N 2.82Å; K726-Y729 HydrophobicContact CD-CD1 4.48Å; K726-Y729 PolarHBondContact O-N 3.42Å; Y729-K731 VanDerWaalsContact C-N 3.25Å; Y729-K731 PolarHBondContact O-N 2.88Å; Y729-C732 PolarHBondContact O-N 3.49Å; Y729-K733 WeakPolarHBondContact O-CA 3.39Å; Y729-K733 PolarHBondContact O-N 3.1Å
730	D	85.4	Confident	81.6	Confident	89 Å²	89	78 Å²	78	48%	0.476	40%	0.399	S	S	.	.	H	α-helix	trans	-63.1	-30.6	178	-71.8	-21.4	0	0	0	113.5	K726 L728	K726-D730 IonicContact NZ-OD1 2.89Å; K726-D730 PolarHBondContact NZ-OD1 2.96Å; K726-D730 IonicContact NZ-OD2 3.75Å; K726-D730 PolarHBondContact NZ-OD2 3.24Å; K726-D730 PolarHBondContact O-N 3.43Å; L728-D730 VanDerWaalsContact C-N 3.31Å; L728-D730 PolarHBondContact O-N 3.29Å
731	K	81.2	Confident	81.7	Confident	155 Å²	155	77.8 Å²	77.8	67%	0.674	39%	0.39	S	S	*	.	H	α-helix	trans	-78.3	-41.8	177.8	-72.2	174.5	-179.2	179.8	0	112.4	M727 L728 Y729	M727-K731 WeakPolarHBondContact O-CG 3.26Å; L728-K731 WeakPolarHBondContact O-CB 2.99Å; L728-K731 PolarHBondContact O-N 3.41Å; Y729-K731 VanDerWaalsContact C-N 3.25Å; Y729-K731 PolarHBondContact O-N 2.88Å
732	C	78.7	Confident	81.7	Confident	57 Å²	57	77.5 Å²	77.5	39%	0.385	39%	0.388	S	S	.	.	H	α-helix	trans	-102.9	-18.7	-167.6	-66.6	0	0	0	0	114.4	L728 Y729 T734 K735	L728-C732 PolarHBondContact O-N 3.28Å; Y729-C732 PolarHBondContact O-N 3.49Å; C732-T734 PolarHBondContact O-N 2.93Å; C732-K735 HydrophobicContact CB-CB 4.38Å
733	K	65.8	Low	81.6	Confident	158 Å²	158	84.1 Å²	84.1	69%	0.687	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	-27.9	-175.4	-66.3	-171.1	176.7	-174.8	0	117.5	Y729	Y729-K733 WeakPolarHBondContact O-CA 3.39Å; Y729-K733 PolarHBondContact O-N 3.1Å
734	T	62.4	Low	81.6	Confident	105 Å²	105	80.6 Å²	80.6	64%	0.644	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.1	-17.6	-174.1	51.4	0	0	0	0	115.6	C732 T736	C732-T734 PolarHBondContact O-N 2.93Å; T734-T736 PolarHBondContact O-N 2.89Å
735	K	61.2	Low	81.8	Confident	184 Å²	184	76.9 Å²	76.9	80%	0.8	38%	0.382	S	S	*	.			trans	-88.9	23.6	-172.6	-77	-170.6	175.1	-176.9	0	116.6	C732	C732-K735 HydrophobicContact CB-CB 4.38Å
736	T	64.6	Low	82	Confident	1 Å²	1	80 Å²	80	1%	0.006	40%	0.395	C	S	.	.			trans	-87.3	-4.1	-168.9	41.7	0	0	0	0	116.5	Y639 L728 T734 N738 S739 L742	Y639-T736 WeakPolarHBondContact CE1-OG1 3.07Å; Y639-T736 VanDerWaalsContact CZ-OG1 3.27Å; L728-T736 HydrophobicContact CD2-CG2 3.84Å; L728-T736 HydrophobicContact CG-CG2 3.92Å; T734-T736 PolarHBondContact O-N 2.89Å; T736-N738 VanDerWaalsContact C-N 3.26Å; T736-N738 PolarHBondContact O-N 2.94Å; T736-S739 PolarHBondContact O-N 3.49Å; T736-L742 WeakPolarHBondContact O-CD2 3.5Å
737	L	66.2	Low	82	Confident	108 Å²	108	80.2 Å²	80.2	57%	0.565	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.8	-168.6	-86.8	149.5	0	0	0	116	Y639 L742	Y639-L737 HydrophobicContact CD1-CD2 4.31Å; Y639-L737 HydrophobicContact CD1-CG 4.1Å; Y639-L737 HydrophobicContact CE1-CG 4.44Å; L737-L742 WeakPolarHBondContact O-CD2 3.34Å
738	N	75.3	Confident	82.4	Confident	168 Å²	168	78.3 Å²	78.3	90%	0.898	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.5	39.4	-178.1	-71.8	-21	0	0	0	112.4	T736	T736-N738 VanDerWaalsContact C-N 3.26Å; T736-N738 PolarHBondContact O-N 2.94Å
739	S	85.7	Confident	82.9	Confident	20 Å²	20	77.3 Å²	77.3	14%	0.14	38%	0.382	C	S	.	.			trans	-88.9	152.5	177.4	97.7	0	0	0	0	112.4	L728 T736 E741 L742 Y743	L728-S739 WeakPolarHBondContact CD2-OG 3.45Å; T736-S739 PolarHBondContact O-N 3.49Å; S739-E741 VanDerWaalsContact C-N 3.25Å; S739-E741 VanDerWaalsContact CB-OE2 3.24Å; S739-E741 WeakPolarHBondContact CB-OE2 3.1Å; S739-E741 PolarHBondContact O-N 2.93Å; S739-E741 PolarHBondContact OG-N 3.37Å; S739-E741 PolarHBondContact OG-OE2 3.41Å; S739-L742 PolarHBondContact O-N 2.99Å; S739-L742 PolarHBondContact OG-N 3.12Å; S739-L742 VanDerWaalsContact OG-N 3.12Å; S739-Y743 PolarHBondContact O-N 2.74Å; S739-Y743 VanDerWaalsContact O-N 3.15Å
740	T	89.6	Confident	83.2	Confident	98 Å²	98	78.3 Å²	78.3	60%	0.601	40%	0.396	S	S	*	.	H	α-helix	trans	-59.3	-39.2	173.4	-51.7	0	0	0	0	111	L742 Y743 D744	T740-L742 PolarHBondContact O-N 3.38Å; T740-Y743 WeakPolarHBondContact O-CB 3.29Å; T740-Y743 PolarHBondContact O-N 3.18Å; T740-Y743 VanDerWaalsContact O-N 3.15Å; T740-D744 VanDerWaalsContact O-CG 3.23Å; T740-D744 PolarHBondContact O-N 2.96Å
741	E	90.9	Very high	83.6	Confident	63 Å²	63	75.3 Å²	75.3	29%	0.294	38%	0.38	S	S	.	.	H	α-helix	trans	-64.9	-37.1	179.8	-57.6	83.7	166.7	0	0	112.6	N724 L725 L728 S739 F745	N724-E741 HydrophobicContact CB-CG 4.24Å; L725-E741 HydrophobicContact CB-CB 4.42Å; L728-E741 WeakPolarHBondContact CD2-OE2 3.36Å; S739-E741 VanDerWaalsContact C-N 3.25Å; S739-E741 VanDerWaalsContact CB-OE2 3.24Å; S739-E741 WeakPolarHBondContact CB-OE2 3.1Å; S739-E741 PolarHBondContact O-N 2.93Å; S739-E741 PolarHBondContact OG-N 3.37Å; S739-E741 PolarHBondContact OG-OE2 3.41Å; E741-F745 WeakPolarHBondContact O-CB 3.42Å; E741-F745 PolarHBondContact O-N 3.15Å
742	L	92.5	Very high	84.2	Confident	5 Å²	5	68 Å²	68	3%	0.026	35%	0.348	C	S	.	.	H	α-helix	trans	-68.1	-40.3	173.8	179.5	62.6	0	0	0	110.8	V641 L725 T736 L737 S739 T740 K746	V641-L742 HydrophobicContact CG2-CD1 3.87Å; L725-L742 HydrophobicContact CD1-CB 4Å; L725-L742 HydrophobicContact CD1-CD1 4.28Å; L725-L742 HydrophobicContact CD2-CD1 3.97Å; T736-L742 WeakPolarHBondContact O-CD2 3.5Å; L737-L742 WeakPolarHBondContact O-CD2 3.34Å; S739-L742 PolarHBondContact O-N 2.99Å; S739-L742 PolarHBondContact OG-N 3.12Å; S739-L742 VanDerWaalsContact OG-N 3.12Å; T740-L742 PolarHBondContact O-N 3.38Å; L742-K746 HydrophobicContact CG-CD 4.47Å; L742-K746 WeakPolarHBondContact O-CG 3.34Å; L742-K746 PolarHBondContact O-N 2.95Å
743	Y	92.9	Very high	85.1	Confident	146 Å²	146	66.6 Å²	66.6	57%	0.573	34%	0.337	S	S	*	.	H	α-helix	trans	-61.2	-49.4	174.8	175.3	-92.2	0	0	0	111.3	S739 T740 F745 K746 L747	S739-Y743 PolarHBondContact O-N 2.74Å; S739-Y743 VanDerWaalsContact O-N 3.15Å; T740-Y743 WeakPolarHBondContact O-CB 3.29Å; T740-Y743 PolarHBondContact O-N 3.18Å; T740-Y743 VanDerWaalsContact O-N 3.15Å; Y743-F745 VanDerWaalsContact C-N 3.32Å; Y743-F745 PolarHBondContact O-N 3.08Å; Y743-K746 PolarHBondContact O-N 3.36Å; Y743-L747 HydrophobicContact CE1-CD2 4.26Å; Y743-L747 WeakPolarHBondContact O-CB 3.42Å; Y743-L747 PolarHBondContact O-N 2.88Å
744	D	91.2	Very high	86.4	Confident	63 Å²	63	62.8 Å²	62.8	34%	0.337	32%	0.324	S	S	.	.	H	α-helix	trans	-59.6	-44	178.8	-67	-17.1	0	0	0	111	T740 K746 L747 E748	T740-D744 VanDerWaalsContact O-CG 3.23Å; T740-D744 PolarHBondContact O-N 2.96Å; D744-K746 PolarHBondContact O-N 2.87Å; D744-L747 WeakPolarHBondContact O-CB 3.4Å; D744-L747 PolarHBondContact O-N 3.4Å; D744-E748 WeakPolarHBondContact O-CG 3.49Å; D744-E748 PolarHBondContact O-N 2.87Å
745	F	94.5	Very high	88	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61	-44.1	176.6	-178.4	-122.5	0	0	0	112.3	F625 I636 V641 L643 V718 S721 F722 L725 E741 Y743 L747 E748 L749	F625-F745 HydrophobicContact CZ-CE2 4.21Å; F625-F745 HydrophobicContact CZ-CZ 4.42Å; I636-F745 HydrophobicContact CD1-CE1 3.91Å; V641-F745 HydrophobicContact CG1-CD1 4.5Å; V641-F745 HydrophobicContact CG1-CE1 3.8Å; V641-F745 HydrophobicContact CG2-CD1 4.25Å; V641-F745 HydrophobicContact CG2-CE1 4.3Å; L643-F745 HydrophobicContact CD2-CZ 4.38Å; V718-F745 HydrophobicContact CG1-CD2 4.39Å; V718-F745 HydrophobicContact CG1-CE2 3.64Å; V718-F745 HydrophobicContact CG1-CZ 4.48Å; S721-F745 WeakPolarHBondContact OG-CD2 3.45Å; F722-F745 HydrophobicContact CB-CD2 3.96Å; F722-F745 HydrophobicContact CB-CE2 3.63Å; F722-F745 HydrophobicContact CB-CZ 4.3Å; F722-F745 HydrophobicContact CD2-CE1 4.41Å; F722-F745 HydrophobicContact CD2-CE2 4.16Å; F722-F745 AromaticContact CD2-CZ 3.98Å; F722-F745 HydrophobicContact CD2-CZ 3.98Å; F722-F745 HydrophobicContact CG-CE2 4.31Å; L725-F745 HydrophobicContact CD2-CB 4.16Å; L725-F745 HydrophobicContact CD2-CD1 3.6Å; L725-F745 HydrophobicContact CD2-CE1 4.25Å; L725-F745 HydrophobicContact CD2-CG 4.04Å; E741-F745 WeakPolarHBondContact O-CB 3.42Å; E741-F745 PolarHBondContact O-N 3.15Å; Y743-F745 VanDerWaalsContact C-N 3.32Å; Y743-F745 PolarHBondContact O-N 3.08Å; F745-L747 VanDerWaalsContact C-N 3.33Å; F745-L747 PolarHBondContact O-N 2.88Å; F745-E748 PolarHBondContact O-N 3.37Å; F745-L749 HydrophobicContact CD1-CD1 4.19Å; F745-L749 HydrophobicContact CE1-CD1 3.84Å; F745-L749 HydrophobicContact CE2-CD1 4.47Å; F745-L749 HydrophobicContact CE2-CD2 4.48Å; F745-L749 HydrophobicContact CE2-CG 4.4Å; F745-L749 HydrophobicContact CZ-CD1 3.99Å; F745-L749 HydrophobicContact CZ-CD2 4.4Å; F745-L749 HydrophobicContact CZ-CG 4.36Å; F745-L749 WeakPolarHBondContact O-CG 3.11Å; F745-L749 PolarHBondContact O-N 2.82Å
746	K	94.9	Very high	89.6	Confident	68 Å²	68	49.3 Å²	49.3	30%	0.296	26%	0.257	S	S	.	.	H	α-helix	trans	-64.9	-36.7	175.4	-73.3	178.7	179	-175	0	112.6	Y639 G640 V641 L742 Y743 D744 L749 S750	Y639-K746 WeakPolarHBondContact O-CE 3.28Å; Y639-K746 PolarHBondContact O-NZ 3.1Å; G640-K746 VanDerWaalsContact O-CE 3.3Å; G640-K746 WeakPolarHBondContact O-CE 3.39Å; G640-K746 PolarHBondContact O-NZ 2.77Å; V641-K746 HydrophobicContact CG2-CG 4.18Å; L742-K746 HydrophobicContact CG-CD 4.47Å; L742-K746 WeakPolarHBondContact O-CG 3.34Å; L742-K746 PolarHBondContact O-N 2.95Å; Y743-K746 PolarHBondContact O-N 3.36Å; D744-K746 PolarHBondContact O-N 2.87Å; K746-L749 PolarHBondContact O-N 2.93Å; K746-S750 WeakPolarHBondContact O-CB 3.47Å; K746-S750 PolarHBondContact O-N 2.95Å; K746-S750 PolarHBondContact O-OG 2.87Å
747	L	92.2	Very high	91	Very high	42 Å²	42	53.3 Å²	53.3	22%	0.22	28%	0.275	C	S	.	.	H	α-helix	trans	-63.1	-45	176.2	-179	60.7	0	0	0	110.6	Y743 D744 F745 L749 S750 N751	Y743-L747 HydrophobicContact CE1-CD2 4.26Å; Y743-L747 WeakPolarHBondContact O-CB 3.42Å; Y743-L747 PolarHBondContact O-N 2.88Å; D744-L747 WeakPolarHBondContact O-CB 3.4Å; D744-L747 PolarHBondContact O-N 3.4Å; F745-L747 VanDerWaalsContact C-N 3.33Å; F745-L747 PolarHBondContact O-N 2.88Å; L747-L749 PolarHBondContact O-N 2.75Å; L747-S750 WeakPolarHBondContact O-CA 3.42Å; L747-S750 WeakPolarHBondContact O-CB 3.45Å; L747-S750 PolarHBondContact O-N 2.81Å; L747-S750 VanDerWaalsContact O-N 3.08Å; L747-N751 PolarHBondContact O-N 2.85Å
748	E	93	Very high	92.3	Very high	38 Å²	38	52.3 Å²	52.3	18%	0.178	27%	0.268	C	S	.	.	H	α-helix	trans	-66.6	-36.5	178	-64.6	-54.4	163.5	0	0	113.1	H717 V718 D744 F745 S750 N751 V752	H717-E748 HydrophobicContact CB-CB 4.48Å; H717-E748 HydrophobicContact CB-CG 3.95Å; H717-E748 WeakPolarHBondContact CB-OE2 3.43Å; V718-E748 HydrophobicContact CG2-CB 3.9Å; D744-E748 WeakPolarHBondContact O-CG 3.49Å; D744-E748 PolarHBondContact O-N 2.87Å; F745-E748 PolarHBondContact O-N 3.37Å; E748-S750 VanDerWaalsContact C-N 3.29Å; E748-S750 PolarHBondContact O-N 2.82Å; E748-N751 PolarHBondContact O-N 3.32Å; E748-N751 PolarHBondContact OE2-ND2 2.95Å; E748-N751 VanDerWaalsContact OE2-ND2 3.11Å; E748-V752 WeakPolarHBondContact O-CG2 3.45Å; E748-V752 PolarHBondContact O-N 2.78Å; E748-V752 VanDerWaalsContact O-N 3.11Å
749	L	95.6	Very high	93.2	Very high	12 Å²	12	44.3 Å²	44.3	6%	0.063	23%	0.225	C	C	.	.	H	α-helix	trans	-61.1	-40.8	169.9	-67.9	173.4	0	0	0	111.5	W622 V641 L643 V646 V718 F745 K746 L747 V752 L753	W622-L749 HydrophobicContact CH2-CD2 3.62Å; W622-L749 HydrophobicContact CZ2-CD2 4.38Å; V641-L749 HydrophobicContact CG1-CD1 3.88Å; L643-L749 HydrophobicContact CD2-CD1 4.24Å; L643-L749 HydrophobicContact CD2-CD2 4.2Å; V646-L749 HydrophobicContact CG2-CD2 4.2Å; V718-L749 HydrophobicContact CG1-CD2 3.83Å; V718-L749 HydrophobicContact CG2-CD2 4.42Å; F745-L749 HydrophobicContact CD1-CD1 4.19Å; F745-L749 HydrophobicContact CE1-CD1 3.84Å; F745-L749 HydrophobicContact CE2-CD1 4.47Å; F745-L749 HydrophobicContact CE2-CD2 4.48Å; F745-L749 HydrophobicContact CE2-CG 4.4Å; F745-L749 HydrophobicContact CZ-CD1 3.99Å; F745-L749 HydrophobicContact CZ-CD2 4.4Å; F745-L749 HydrophobicContact CZ-CG 4.36Å; F745-L749 WeakPolarHBondContact O-CG 3.11Å; F745-L749 PolarHBondContact O-N 2.82Å; K746-L749 PolarHBondContact O-N 2.93Å; L747-L749 PolarHBondContact O-N 2.75Å; L749-V752 PolarHBondContact O-N 2.9Å; L749-L753 WeakPolarHBondContact O-CG 3.48Å; L749-L753 PolarHBondContact O-N 3.16Å
750	S	94.3	Very high	93.7	Very high	64 Å²	64	43.5 Å²	43.5	45%	0.448	22%	0.219	S	C	.	.	H	α-helix	trans	-65.4	-38.6	178.1	-56.3	0	0	0	0	111.9	K746 L747 E748 L753 N754	K746-S750 WeakPolarHBondContact O-CB 3.47Å; K746-S750 PolarHBondContact O-N 2.95Å; K746-S750 PolarHBondContact O-OG 2.87Å; L747-S750 WeakPolarHBondContact O-CA 3.42Å; L747-S750 WeakPolarHBondContact O-CB 3.45Å; L747-S750 PolarHBondContact O-N 2.81Å; L747-S750 VanDerWaalsContact O-N 3.08Å; E748-S750 VanDerWaalsContact C-N 3.29Å; E748-S750 PolarHBondContact O-N 2.82Å; S750-L753 PolarHBondContact O-N 2.62Å; S750-N754 VanDerWaalsContact O-CB 3.29Å; S750-N754 WeakPolarHBondContact O-CB 3.37Å; S750-N754 PolarHBondContact O-N 2.69Å
751	N	92.7	Very high	93.8	Very high	27 Å²	27	42.7 Å²	42.7	14%	0.144	21%	0.211	C	C	.	.	H	α-helix	trans	-60.6	-47.4	174.2	-71	-28.5	0	0	0	111.2	V703 L747 E748 N754 C755	V703-N751 HydrophobicContact CG1-CB 4.24Å; L747-N751 PolarHBondContact O-N 2.85Å; E748-N751 PolarHBondContact O-N 3.32Å; E748-N751 PolarHBondContact OE2-ND2 2.95Å; E748-N751 VanDerWaalsContact OE2-ND2 3.11Å; N751-N754 PolarHBondContact O-N 3.12Å; N751-C755 PolarHBondContact O-N 2.65Å; N751-C755 PolarHBondContact O-SG 3.26Å; N751-C755 VanDerWaalsContact O-SG 3.41Å
752	V	94.9	Very high	93.9	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-61.4	-47.2	177	172.1	0	0	0	0	111.3	V646 V703 I704 F715 V718 E748 L749 N754 C755 L756	V646-V752 HydrophobicContact CG1-CG1 3.95Å; V703-V752 HydrophobicContact CB-CG2 4.16Å; V703-V752 HydrophobicContact CG2-CG2 4.12Å; I704-V752 HydrophobicContact CD1-CG1 4.2Å; F715-V752 HydrophobicContact CD1-CG1 4.14Å; F715-V752 HydrophobicContact CD1-CG2 4.16Å; F715-V752 HydrophobicContact CE1-CG1 3.98Å; V718-V752 HydrophobicContact CG2-CG2 3.71Å; E748-V752 WeakPolarHBondContact O-CG2 3.45Å; E748-V752 PolarHBondContact O-N 2.78Å; E748-V752 VanDerWaalsContact O-N 3.11Å; L749-V752 PolarHBondContact O-N 2.9Å; V752-N754 VanDerWaalsContact C-N 3.35Å; V752-N754 PolarHBondContact O-N 3.07Å; V752-C755 PolarHBondContact O-N 2.69Å; V752-L756 HydrophobicContact CG1-CD1 3.81Å; V752-L756 HydrophobicContact CG1-CG 4.37Å; V752-L756 WeakPolarHBondContact O-CG 3.41Å; V752-L756 PolarHBondContact O-N 3.17Å
753	L	95.9	Very high	93.9	Very high	27 Å²	27	44 Å²	44	14%	0.141	21%	0.213	C	C	.	.	H	α-helix	trans	-57.2	-47.6	177	-75.9	167.7	0	0	0	111.8	W645 V646 E649 L749 S750 C755 L756 Q757	W645-L753 HydrophobicContact CB-CD1 4.39Å; W645-L753 HydrophobicContact CB-CD2 4.15Å; W645-L753 WeakPolarHBondContact O-CD2 3.43Å; V646-L753 HydrophobicContact CB-CD2 4.36Å; V646-L753 HydrophobicContact CG2-CD1 4.45Å; V646-L753 HydrophobicContact CG2-CD2 3.87Å; V646-L753 HydrophobicContact CG2-CG 3.89Å; E649-L753 HydrophobicContact CB-CD2 4.2Å; E649-L753 HydrophobicContact CG-CD2 3.63Å; L749-L753 WeakPolarHBondContact O-CG 3.48Å; L749-L753 PolarHBondContact O-N 3.16Å; S750-L753 PolarHBondContact O-N 2.62Å; L753-C755 PolarHBondContact O-N 3.34Å; L753-L756 PolarHBondContact O-N 2.75Å; L753-Q757 WeakPolarHBondContact O-CB 3.19Å; L753-Q757 VanDerWaalsContact O-CG 3.31Å; L753-Q757 WeakPolarHBondContact O-CG 3.18Å; L753-Q757 PolarHBondContact O-N 2.84Å
754	N	94.6	Very high	93.7	Very high	79 Å²	79	41.6 Å²	41.6	42%	0.422	20%	0.203	S	C	.	.	H	α-helix	trans	-61.6	-45.5	-179.7	-175.4	33.6	0	0	0	111.6	S750 N751 V752 Q757 Q758	S750-N754 VanDerWaalsContact O-CB 3.29Å; S750-N754 WeakPolarHBondContact O-CB 3.37Å; S750-N754 PolarHBondContact O-N 2.69Å; N751-N754 PolarHBondContact O-N 3.12Å; V752-N754 VanDerWaalsContact C-N 3.35Å; V752-N754 PolarHBondContact O-N 3.07Å; N754-Q757 PolarHBondContact O-N 2.82Å; N754-Q758 PolarHBondContact ND2-NE2 2.88Å; N754-Q758 VanDerWaalsContact ND2-NE2 3.14Å; N754-Q758 WeakPolarHBondContact O-CB 3.5Å; N754-Q758 VanDerWaalsContact O-CG 3.3Å; N754-Q758 WeakPolarHBondContact O-CG 3.45Å; N754-Q758 PolarHBondContact O-N 2.84Å; N754-Q758 PolarHBondContact OD1-NE2 3.32Å
755	C	94.5	Very high	93.4	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.034	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-46.3	175.5	-75.3	0	0	0	0	112.1	H688 V703 N751 V752 L753 Q758 L759	H688-C755 WeakPolarHBondContact O-CB 3.34Å; H688-C755 PolarHBondContact O-SG 2.81Å; V703-C755 HydrophobicContact CG2-CB 3.95Å; N751-C755 PolarHBondContact O-N 2.65Å; N751-C755 PolarHBondContact O-SG 3.26Å; N751-C755 VanDerWaalsContact O-SG 3.41Å; V752-C755 PolarHBondContact O-N 2.69Å; L753-C755 PolarHBondContact O-N 3.34Å; C755-Q758 PolarHBondContact O-N 3.44Å; C755-L759 WeakPolarHBondContact O-CB 3.35Å; C755-L759 PolarHBondContact O-N 2.77Å
756	L	95.7	Very high	92.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.5	-39.2	179.6	-71.7	171.6	0	0	0	112.8	V646 E649 I650 F653 V752 L753 L759 T760	V646-L756 HydrophobicContact CG1-CD1 4.2Å; E649-L756 HydrophobicContact CB-CB 4.05Å; E649-L756 HydrophobicContact CB-CD1 4.11Å; I650-L756 HydrophobicContact CD1-CD1 4.48Å; I650-L756 HydrophobicContact CG1-CD1 3.62Å; I650-L756 HydrophobicContact CG1-CD2 4.38Å; F653-L756 HydrophobicContact CD1-CD2 4.36Å; V752-L756 HydrophobicContact CG1-CD1 3.81Å; V752-L756 HydrophobicContact CG1-CG 4.37Å; V752-L756 WeakPolarHBondContact O-CG 3.41Å; V752-L756 PolarHBondContact O-N 3.17Å; L753-L756 PolarHBondContact O-N 2.75Å; L756-L759 PolarHBondContact O-N 3.19Å; L756-T760 VanDerWaalsContact O-CB 3.3Å; L756-T760 WeakPolarHBondContact O-CB 3.39Å; L756-T760 PolarHBondContact O-N 3.37Å; L756-T760 PolarHBondContact O-OG1 2.98Å
757	Q	95	Very high	91.6	Very high	85 Å²	85	46.4 Å²	46.4	40%	0.397	22%	0.221	S	C	.	.	H	α-helix	trans	-65.7	-45.3	176.6	-77.4	177	-2.9	0	0	111.4	E649 L753 N754 L759 T760 N761	E649-Q757 VanDerWaalsContact CD-CG 3.48Å; E649-Q757 HydrophobicContact CG-CG 4.05Å; E649-Q757 PolarHBondContact OE1-NE2 2.79Å; E649-Q757 VanDerWaalsContact OE2-CG 3.29Å; E649-Q757 WeakPolarHBondContact OE2-CG 3.39Å; L753-Q757 WeakPolarHBondContact O-CB 3.19Å; L753-Q757 VanDerWaalsContact O-CG 3.31Å; L753-Q757 WeakPolarHBondContact O-CG 3.18Å; L753-Q757 PolarHBondContact O-N 2.84Å; N754-Q757 PolarHBondContact O-N 2.82Å; Q757-L759 VanDerWaalsContact C-N 3.34Å; Q757-L759 PolarHBondContact O-N 2.87Å; Q757-T760 PolarHBondContact O-N 2.83Å; Q757-N761 WeakPolarHBondContact O-CB 3.44Å; Q757-N761 VanDerWaalsContact O-CG 3.25Å; Q757-N761 PolarHBondContact O-N 2.86Å; Q757-N761 PolarHBondContact O-ND2 3.03Å
758	Q	93.6	Very high	90.7	Very high	88 Å²	88	49.4 Å²	49.4	41%	0.411	24%	0.237	S	C	.	.	H	α-helix	trans	-61.5	-44.1	175.7	-71.8	178.6	59.5	0	0	111.2	N754 C755 N761 W762	N754-Q758 PolarHBondContact ND2-NE2 2.88Å; N754-Q758 VanDerWaalsContact ND2-NE2 3.14Å; N754-Q758 WeakPolarHBondContact O-CB 3.5Å; N754-Q758 VanDerWaalsContact O-CG 3.3Å; N754-Q758 WeakPolarHBondContact O-CG 3.45Å; N754-Q758 PolarHBondContact O-N 2.84Å; N754-Q758 PolarHBondContact OD1-NE2 3.32Å; C755-Q758 PolarHBondContact O-N 3.44Å; Q758-N761 PolarHBondContact O-N 2.83Å; Q758-W762 WeakPolarHBondContact O-CB 3.49Å; Q758-W762 PolarHBondContact O-N 3.4Å
759	L	94.1	Very high	89.4	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-42.2	176.5	178.3	56	0	0	0	112.7	F653 V685 H688 F689 C755 L756 Q757 N761 W762 L763	F653-L759 HydrophobicContact CD1-CD2 4.48Å; F653-L759 HydrophobicContact CD2-CD2 3.7Å; F653-L759 HydrophobicContact CD2-CG 3.74Å; F653-L759 HydrophobicContact CE1-CD2 4.12Å; F653-L759 HydrophobicContact CE2-CD1 4.23Å; F653-L759 HydrophobicContact CE2-CD2 3.27Å; F653-L759 HydrophobicContact CE2-CG 3.55Å; F653-L759 HydrophobicContact CG-CD2 4.3Å; F653-L759 HydrophobicContact CZ-CD2 3.53Å; F653-L759 HydrophobicContact CZ-CG 4.31Å; V685-L759 HydrophobicContact CB-CD1 4.11Å; V685-L759 HydrophobicContact CG1-CD1 3.97Å; V685-L759 HydrophobicContact CG1-CD2 4.2Å; V685-L759 HydrophobicContact CG2-CD1 4.1Å; H688-L759 HydrophobicContact CB-CB 3.93Å; H688-L759 HydrophobicContact CB-CD1 4.3Å; F689-L759 HydrophobicContact CD1-CD2 4.23Å; F689-L759 HydrophobicContact CE1-CD2 3.28Å; F689-L759 HydrophobicContact CZ-CD2 3.56Å; C755-L759 WeakPolarHBondContact O-CB 3.35Å; C755-L759 PolarHBondContact O-N 2.77Å; L756-L759 PolarHBondContact O-N 3.19Å; Q757-L759 VanDerWaalsContact C-N 3.34Å; Q757-L759 PolarHBondContact O-N 2.87Å; L759-N761 VanDerWaalsContact C-N 3.31Å; L759-N761 PolarHBondContact O-N 2.95Å; L759-W762 WeakPolarHBondContact O-CB 3.49Å; L759-W762 PolarHBondContact O-N 2.86Å; L759-L763 HydrophobicContact CD1-CG 4.37Å; L759-L763 PolarHBondContact O-N 3.28Å
760	T	94.9	Very high	88	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.012	27%	0.27	C	S	.	.	H	α-helix	trans	-60.7	-44.5	175.9	-63.9	0	0	0	0	110.5	K652 F653 L756 Q757 L763 R764	K652-T760 HydrophobicContact CB-CG2 4.1Å; F653-T760 WeakPolarHBondContact CA-OG1 3.01Å; F653-T760 PolarHBondContact N-OG1 3.03Å; L756-T760 VanDerWaalsContact O-CB 3.3Å; L756-T760 WeakPolarHBondContact O-CB 3.39Å; L756-T760 PolarHBondContact O-N 3.37Å; L756-T760 PolarHBondContact O-OG1 2.98Å; Q757-T760 PolarHBondContact O-N 2.83Å; T760-L763 PolarHBondContact O-N 3.21Å; T760-R764 HydrophobicContact CG2-CG 4.46Å; T760-R764 WeakPolarHBondContact O-CB 3.32Å; T760-R764 VanDerWaalsContact O-CG 3.28Å; T760-R764 WeakPolarHBondContact O-CG 3.4Å; T760-R764 PolarHBondContact O-N 3.2Å
761	N	92.2	Very high	86.1	Confident	81 Å²	81	55.3 Å²	55.3	43%	0.433	29%	0.286	S	S	.	.	H	α-helix	trans	-66.4	-38.2	176.1	-70	-26.1	0	0	0	112.1	Q757 Q758 L759 L763 R764 N765	Q757-N761 WeakPolarHBondContact O-CB 3.44Å; Q757-N761 VanDerWaalsContact O-CG 3.25Å; Q757-N761 PolarHBondContact O-N 2.86Å; Q757-N761 PolarHBondContact O-ND2 3.03Å; Q758-N761 PolarHBondContact O-N 2.83Å; L759-N761 VanDerWaalsContact C-N 3.31Å; L759-N761 PolarHBondContact O-N 2.95Å; N761-L763 VanDerWaalsContact C-N 3.34Å; N761-L763 PolarHBondContact O-N 2.79Å; N761-R764 PolarHBondContact O-N 3.22Å; N761-N765 WeakPolarHBondContact O-CB 3.38Å; N761-N765 PolarHBondContact O-N 3.25Å; N761-N765 PolarHBondContact O-ND2 3.21Å
762	W	92.1	Very high	84.3	Confident	93 Å²	93	58.9 Å²	58.9	35%	0.352	31%	0.305	S	S	.	.	H	α-helix	trans	-57.7	-46.2	175.4	178.2	-105.9	0	0	0	111.8	I681 H688 Q758 L759	I681-W762 HydrophobicContact CG1-CZ2 4.21Å; I681-W762 PolarHBondContact O-NE1 3Å; H688-W762 AromaticContact CE1-CD1 3.76Å; H688-W762 AromaticContact CE1-CD2 3.46Å; H688-W762 VanDerWaalsContact CE1-CD2 3.46Å; H688-W762 AromaticContact CE1-CE2 3.87Å; H688-W762 AromaticContact CE1-CE3 3.9Å; H688-W762 AromaticContact CE1-CG 3.4Å; H688-W762 AromaticContact CE1-NE1 3.99Å; H688-W762 AromaticContact NE2-CD2 3.89Å; H688-W762 AromaticContact NE2-CE3 3.98Å; H688-W762 AromaticContact NE2-CG 3.81Å; Q758-W762 WeakPolarHBondContact O-CB 3.49Å; Q758-W762 PolarHBondContact O-N 3.4Å; L759-W762 WeakPolarHBondContact O-CB 3.49Å; L759-W762 PolarHBondContact O-N 2.86Å
763	L	93.4	Very high	82.1	Confident	3 Å²	3	65.9 Å²	65.9	2%	0.016	34%	0.336	C	S	.	.	H	α-helix	trans	-71.8	-43.1	176.5	-67.3	-177.3	0	0	0	112.7	I611 F653 F660 I681 V685 L759 T760 N761 N765 S766	I611-L763 HydrophobicContact CD1-CD2 4.19Å; I611-L763 HydrophobicContact CG2-CD1 4.05Å; F653-L763 HydrophobicContact CD2-CD1 3.94Å; F653-L763 HydrophobicContact CE2-CD1 3.6Å; F660-L763 HydrophobicContact CD2-CD2 4.15Å; F660-L763 HydrophobicContact CG-CD2 4.23Å; I681-L763 HydrophobicContact CG2-CD2 3.86Å; V685-L763 HydrophobicContact CG2-CD2 4.08Å; L759-L763 HydrophobicContact CD1-CG 4.37Å; L759-L763 PolarHBondContact O-N 3.28Å; T760-L763 PolarHBondContact O-N 3.21Å; N761-L763 VanDerWaalsContact C-N 3.34Å; N761-L763 PolarHBondContact O-N 2.79Å; L763-N765 VanDerWaalsContact C-N 3.27Å; L763-N765 PolarHBondContact O-N 2.74Å; L763-S766 WeakPolarHBondContact O-CB 3.38Å; L763-S766 PolarHBondContact O-N 3.03Å; L763-S766 VanDerWaalsContact O-N 3.14Å; L763-S766 PolarHBondContact O-OG 3.16Å
764	R	88.2	Confident	80	Confident	96 Å²	96	68.9 Å²	68.9	36%	0.362	36%	0.359	S	S	.	.	H	α-helix	trans	-62.1	-37.6	177.9	-74.4	176.1	-177.9	-172.6	-3	112.2	S656 T760 N761 S766 W767	S656-R764 VanDerWaalsContact OG-CG 3.25Å; S656-R764 WeakPolarHBondContact OG-CG 2.96Å; S656-R764 PolarHBondContact OG-NE 2.89Å; S656-R764 VanDerWaalsContact OG-NE 3.11Å; T760-R764 HydrophobicContact CG2-CG 4.46Å; T760-R764 WeakPolarHBondContact O-CB 3.32Å; T760-R764 VanDerWaalsContact O-CG 3.28Å; T760-R764 WeakPolarHBondContact O-CG 3.4Å; T760-R764 PolarHBondContact O-N 3.2Å; N761-R764 PolarHBondContact O-N 3.22Å; R764-S766 PolarHBondContact O-N 2.79Å; R764-W767 VanDerWaalsContact O-CH2 3.31Å; R764-W767 WeakPolarHBondContact O-CH2 3.42Å; R764-W767 WeakPolarHBondContact O-CZ2 3.42Å; R764-W767 WeakPolarHBondContact O-CZ3 3.42Å
765	N	85.4	Confident	77.9	Confident	79 Å²	79	67.6 Å²	67.6	42%	0.422	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-81.1	6	-178.8	-66.1	-22.4	0	0	0	112.7	N761 L763 W767 I768	N761-N765 WeakPolarHBondContact O-CB 3.38Å; N761-N765 PolarHBondContact O-N 3.25Å; N761-N765 PolarHBondContact O-ND2 3.21Å; L763-N765 VanDerWaalsContact C-N 3.27Å; L763-N765 PolarHBondContact O-N 2.74Å; N765-W767 PolarHBondContact O-N 3.39Å; N765-W767 VanDerWaalsContact O-N 3.14Å; N765-I768 HydrophobicContact CB-CD1 3.74Å; N765-I768 HydrophobicContact CB-CG1 4.26Å; N765-I768 WeakPolarHBondContact O-CB 3.24Å; N765-I768 WeakPolarHBondContact O-CG1 3.12Å; N765-I768 PolarHBondContact O-N 2.94Å
766	S	79.8	Confident	75.5	Confident	4 Å²	4	69.8 Å²	69.8	3%	0.028	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-63.2	-18.9	-177.6	67.5	0	0	0	0	114.4	Y677 L763 R764	Y677-S766 WeakPolarHBondContact CE1-O 3.34Å; L763-S766 WeakPolarHBondContact O-CB 3.38Å; L763-S766 PolarHBondContact O-N 3.03Å; L763-S766 VanDerWaalsContact O-N 3.14Å; L763-S766 PolarHBondContact O-OG 3.16Å; R764-S766 PolarHBondContact O-N 2.79Å
767	W	72.2	Confident	72.7	Confident	148 Å²	148	79 Å²	79	56%	0.561	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-86.1	-13.3	176.5	52.3	62.6	0	0	0	113.2	R764 N765 G769 L770	R764-W767 VanDerWaalsContact O-CH2 3.31Å; R764-W767 WeakPolarHBondContact O-CH2 3.42Å; R764-W767 WeakPolarHBondContact O-CZ2 3.42Å; R764-W767 WeakPolarHBondContact O-CZ3 3.42Å; N765-W767 PolarHBondContact O-N 3.39Å; N765-W767 VanDerWaalsContact O-N 3.14Å; W767-G769 PolarHBondContact O-N 2.9Å; W767-L770 HydrophobicContact CB-CD1 4.49Å; W767-L770 WeakPolarHBondContact O-CB 3.16Å; W767-L770 PolarHBondContact O-N 2.98Å; W767-L770 VanDerWaalsContact O-N 3.15Å
768	I	72.6	Confident	71.6	Confident	105 Å²	105	78.7 Å²	78.7	54%	0.538	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	120.8	-176.6	-60.1	-177.5	0	0	0	109	N765	N765-I768 HydrophobicContact CB-CD1 3.74Å; N765-I768 HydrophobicContact CB-CG1 4.26Å; N765-I768 WeakPolarHBondContact O-CB 3.24Å; N765-I768 WeakPolarHBondContact O-CG1 3.12Å; N765-I768 PolarHBondContact O-N 2.94Å
769	G	65.4	Low	70.4	Confident	71 Å²	71	78.2 Å²	78.2	73%	0.732	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.3	-4.3	-178.4	0	0	0	0	0	114.8	W767 T771	W767-G769 PolarHBondContact O-N 2.9Å; G769-T771 PolarHBondContact O-N 3.46Å; G769-T771 VanDerWaalsContact O-N 3.11Å
770	L	66	Low	69.1	Low	38 Å²	38	82.5 Å²	82.5	20%	0.199	44%	0.443	C	S	.	.			trans	-73.7	98.8	165.2	-66.1	175.9	0	0	0	108.5	F663 W767 D772	F663-L770 HydrophobicContact CE1-CD1 3.86Å; F663-L770 HydrophobicContact CE2-CD1 4.24Å; F663-L770 HydrophobicContact CZ-CD1 3.34Å; W767-L770 HydrophobicContact CB-CD1 4.49Å; W767-L770 WeakPolarHBondContact O-CB 3.16Å; W767-L770 PolarHBondContact O-N 2.98Å; W767-L770 VanDerWaalsContact O-N 3.15Å; L770-D772 VanDerWaalsContact C-N 3.35Å
771	T	55.8	Low	67.6	Low	129 Å²	129	87.2 Å²	87.2	79%	0.791	47%	0.469	S	S	*	.			trans	-73.8	-26.5	-177.6	50.5	0	0	0	0	112.9	G769 F773	G769-T771 PolarHBondContact O-N 3.46Å; G769-T771 VanDerWaalsContact O-N 3.11Å; T771-F773 PolarHBondContact O-N 3.07Å
772	D	55.2	Low	66.1	Low	102 Å²	102	87.6 Å²	87.6	55%	0.545	47%	0.471	S	S	.	.			trans	-85.2	84.4	172	-93.6	-28.7	0	0	0	110	L770 S774 L775	L770-D772 VanDerWaalsContact C-N 3.35Å; D772-S774 PolarHBondContact O-N 2.92Å; D772-S774 VanDerWaalsContact O-N 3.08Å; D772-L775 HydrophobicContact CB-CD1 4.17Å; D772-L775 WeakPolarHBondContact O-CB 3.37Å; D772-L775 PolarHBondContact O-N 3.07Å
773	F	47.8	Very low	64.4	Low	148 Å²	148	87.3 Å²	87.3	65%	0.649	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-59	-14.9	170.2	-77.6	-83.8	0	0	0	113	T771 L775 A776 L777	T771-F773 PolarHBondContact O-N 3.07Å; F773-L775 PolarHBondContact O-N 3.34Å; F773-A776 PolarHBondContact O-N 2.61Å; F773-L777 PolarHBondContact O-N 2.97Å; F773-L777 VanDerWaalsContact O-N 3.11Å
774	S	51.6	Low	62.3	Low	91 Å²	91	93.3 Å²	93.3	64%	0.636	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-65.3	-15.3	171	62	0	0	0	0	113.7	D772	D772-S774 PolarHBondContact O-N 2.92Å; D772-S774 VanDerWaalsContact O-N 3.08Å
775	L	50.3	Low	60.3	Low	51 Å²	51	93.1 Å²	93.1	27%	0.267	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-91.7	-16.7	171.8	-76.6	163.7	0	0	0	113	C671 D772 F773	C671-L775 WeakPolarHBondContact SG-CD2 3.36Å; D772-L775 HydrophobicContact CB-CD1 4.17Å; D772-L775 WeakPolarHBondContact O-CB 3.37Å; D772-L775 PolarHBondContact O-N 3.07Å; F773-L775 PolarHBondContact O-N 3.34Å
776	A	43.8	Very low	58.2	Low	51 Å²	51	94.3 Å²	94.3	42%	0.421	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-20.8	-177.2	0	0	0	0	0	113.6	F773	F773-A776 PolarHBondContact O-N 2.61Å
777	L	37.9	Very low	56.2	Low	193 Å²	193	102.5 Å²	102.5	100%	1.01	58%	0.577	S	S	*	*			trans	-88.1	0	168.8	-79.2	159.9	0	0	0	110.4	F773	F773-L777 PolarHBondContact O-N 2.97Å; F773-L777 VanDerWaalsContact O-N 3.11Å

Retrieved 777 of 777 residues in 997.1 ms (Link to these results)

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