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Lipase maturation factor

Involved in the maturation of specific proteins in the endoplasmic reticulum.

AlphaFold DB , UniProt , Accession Z4YJR1, Species MOUSE (Mus musculus, Mouse), Gene Lmf1, Length 574 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	36.3	Very low	33.6	Very low	250 Å²	250	140.7 Å²	140.7	100%	1.232	80%	0.797	S	S	*	*				0	105.5	0	-84	166.7	164.5	0	0	108.3
2	R	36.5	Very low	33.4	Very low	219 Å²	219	145.6 Å²	145.6	83%	0.826	81%	0.809	S	S	*	*			trans	-81.4	169.7	158	-91.7	-170	-170.5	179.5	3.2	108.4
3	P	48.3	Very low	33.1	Very low	114 Å²	114	139.7 Å²	139.7	74%	0.74	80%	0.801	S	S	*	*			cis	-134.3	156.6	36.9	14.2	14.5	0	0	0	114.7
4	D	32	Very low	32.8	Very low	118 Å²	118	137.6 Å²	137.6	63%	0.631	80%	0.799	S	S	*	*				76.7	109.7	76.7	-62.1	-31.9	0	0	0	116.1
5	S	29.6	Very low	32.6	Very low	99 Å²	99	137.9 Å²	137.9	69%	0.692	80%	0.796	S	S	*	*			trans	25.7	142.8	132.7	59.4	0	0	0	0	124.2
6	L	29.9	Very low	32.4	Very low	157 Å²	157	142.8 Å²	142.8	82%	0.822	80%	0.797	S	S	*	*				167.3	114.7	128.7	-90.1	152.2	0	0	0	109.2
7	V	30	Very low	32.4	Very low	121 Å²	121	145.9 Å²	145.9	73%	0.733	80%	0.8	S	S	*	*				70	131.8	79.2	-178.1	0	0	0	0	115.8
8	M	28.1	Very low	32.4	Very low	178 Å²	178	150.7 Å²	150.7	88%	0.877	80%	0.804	S	S	*	*			trans	136.4	134.6	149.7	-74.3	-60	-152.2	0	0	109.5
9	A	29.1	Very low	32.2	Very low	93 Å²	93	154 Å²	154	77%	0.769	81%	0.811	S	S	*	*			cis	-157.4	154.7	28.8	0	0	0	0	0	112.2
10	A	30.6	Very low	32.3	Very low	89 Å²	89	152.8 Å²	152.8	74%	0.736	81%	0.809	S	S	*	*			trans	-96.2	168.7	155.3	0	0	0	0	0	109.3
11	P	39.4	Very low	32.2	Very low	110 Å²	110	149.1 Å²	149.1	71%	0.714	81%	0.808	S	S	*	*				-148.7	155.2	99.7	31.9	-11.9	0	0	0	117.3
12	E	31.4	Very low	31.7	Very low	199 Å²	199	141.1 Å²	141.1	93%	0.93	79%	0.79	S	S	*	*			trans	54.1	136.4	135.4	-60.3	175.6	176.4	0	0	121.4
13	G	29.2	Very low	31.8	Very low	69 Å²	69	135.6 Å²	135.6	71%	0.711	79%	0.791	S	S	*	*			cis	172.7	167.9	4.8	0	0	0	0	0	113.3
14	S	29	Very low	31	Very low	111 Å²	111	140 Å²	140	78%	0.776	80%	0.802	S	S	*	*			trans	65.9	139.4	153.2	126.6	0	0	0	0	118.3
15	L	30.2	Very low	31	Very low	142 Å²	142	143.1 Å²	143.1	74%	0.743	81%	0.812	S	S	*	*			cis	-172.5	141.1	8.4	-109.4	160.6	0	0	0	108.6
16	R	29.3	Very low	31	Very low	216 Å²	216	143.7 Å²	143.7	82%	0.815	82%	0.816	S	S	*	*			trans	50.1	118.4	141.3	-99.7	179.8	177.8	174.5	-1	120.6
17	K	31.2	Very low	31.1	Very low	195 Å²	195	142.1 Å²	142.1	85%	0.848	82%	0.815	S	S	*	*				173.2	143.3	85.3	-106.8	175.4	-176.2	177.6	0	111.8
18	R	32.8	Very low	31.2	Very low	233 Å²	233	140.9 Å²	140.9	88%	0.879	82%	0.818	S	S	*	*			trans	-83.4	139.6	175.1	-151.4	179.4	-168.7	177.2	2.4	109.4
19	K	29.1	Very low	31.3	Very low	213 Å²	213	137.9 Å²	137.9	93%	0.926	82%	0.815	S	S	*	*			trans	-144.1	122.6	153.4	-135.9	-179.7	-176.2	-174.1	0	110
20	V	34.8	Very low	31.4	Very low	129 Å²	129	141.9 Å²	141.9	78%	0.782	82%	0.817	S	S	*	*			trans	-94.8	144.7	174	168.9	0	0	0	0	107.7
21	G	29.8	Very low	31.6	Very low	77 Å²	77	143.4 Å²	143.4	79%	0.794	82%	0.82	S	S	*	*			trans	128.3	116.9	152	0	0	0	0	0	115
22	G	26.1	Very low	31.3	Very low	82 Å²	82	143.5 Å²	143.5	85%	0.845	82%	0.823	S	S	*	*			trans	160.7	85.5	166.8	0	0	0	0	0	111.7
23	A	38.7	Very low	31.5	Very low	103 Å²	103	142 Å²	142	85%	0.851	82%	0.82	S	S	*	*			trans	-82.6	129.4	167.5	0	0	0	0	0	109
24	E	30.5	Very low	31.9	Very low	205 Å²	205	142.9 Å²	142.9	96%	0.958	82%	0.821	S	S	*	*			trans	-155.8	142.2	159.5	-112.9	171.8	-160.1	0	0	110.3
25	H	31.4	Very low	32.1	Very low	185 Å²	185	148.5 Å²	148.5	86%	0.856	83%	0.825	S	S	*	*			trans	-81.9	143.7	-166.1	-97.6	-59	0	0	0	114.5
26	S	29.4	Very low	32.2	Very low	111 Å²	111	147.8 Å²	147.8	78%	0.776	82%	0.822	S	S	*	*			trans	122.6	151.1	140.5	-55.7	0	0	0	0	115.8
27	P	34	Very low	32.7	Very low	123 Å²	123	143.2 Å²	143.2	80%	0.799	82%	0.821	S	S	*	*				-117.5	169.5	-51.1	34	-19.5	0	0	0	111.3	S29	P27-S29 PolarHBondContact O-N 3.26Å
28	A	31	Very low	33.1	Very low	96 Å²	96	137.8 Å²	137.8	79%	0.793	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-46.3	123	-177.8	0	0	0	0	0	114.3	Q30	A28-Q30 PolarHBondContact O-N 3.32Å
29	S	30.5	Very low	33.2	Very low	115 Å²	115	133.8 Å²	133.8	80%	0.804	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-61.2	117.2	159.9	47.6	0	0	0	0	109	P27	P27-S29 PolarHBondContact O-N 3.26Å
30	Q	31	Very low	33.9	Very low	176 Å²	176	127.9 Å²	127.9	82%	0.822	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-48.9	135.3	171.9	-69.5	176.4	-18	0	0	110.1	A28 S32	A28-Q30 PolarHBondContact O-N 3.32Å; Q30-S32 PolarHBondContact O-N 3.22Å
31	P	34.7	Very low	35	Very low	121 Å²	121	126.5 Å²	126.5	79%	0.786	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-61.7	127	167	26.3	-29	0	0	0	107.2	L33	P31-L33 PolarHBondContact O-N 2.82Å; P31-L33 VanDerWaalsContact O-N 3.09Å
32	S	32.4	Very low	36.9	Very low	112 Å²	112	124.9 Å²	124.9	78%	0.783	77%	0.766	S	S	*	*			trans	-40.2	119.6	171.9	51.7	0	0	0	0	109.4	Q30 A34	Q30-S32 PolarHBondContact O-N 3.22Å; S32-A34 PolarHBondContact O-N 3.09Å
33	L	37.1	Very low	39.7	Very low	167 Å²	167	131 Å²	131	87%	0.874	76%	0.764	S	S	*	*			trans	-42.1	104.3	168.9	-94.4	140.3	0	0	0	108.3	P31 R35	P31-L33 PolarHBondContact O-N 2.82Å; P31-L33 VanDerWaalsContact O-N 3.09Å; L33-R35 PolarHBondContact O-N 3.03Å
34	A	36.7	Very low	42.1	Very low	88 Å²	88	126.8 Å²	126.8	73%	0.727	73%	0.727	S	S	*	*			trans	-54.2	115.8	162	0	0	0	0	0	105	S32 D36	S32-A34 PolarHBondContact O-N 3.09Å; A34-D36 PolarHBondContact O-N 3.03Å
35	R	33.3	Very low	44.8	Very low	229 Å²	229	121.1 Å²	121.1	86%	0.864	70%	0.7	S	S	*	*			trans	-49.5	119.8	167.6	-88	179.8	173.8	159.3	-1.4	106.8	L33	L33-R35 PolarHBondContact O-N 3.03Å
36	D	33.2	Very low	47.6	Very low	127 Å²	127	116.6 Å²	116.6	68%	0.679	69%	0.686	S	S	*	*			trans	-47.9	136.1	168.4	-89.5	-42.2	0	0	0	108.5	A34 A38	A34-D36 PolarHBondContact O-N 3.03Å; D36-A38 HydrophobicContact CB-CB 4.02Å; D36-A38 PolarHBondContact O-N 2.88Å
37	P	39.7	Very low	50.4	Low	121 Å²	121	113.1 Å²	113.1	79%	0.786	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-63.3	1.6	172.5	24.5	-30.2	0	0	0	113	D39	P37-D39 VanDerWaalsContact C-N 3.34Å; P37-D39 PolarHBondContact O-N 2.95Å
38	A	38.7	Very low	53.2	Low	80 Å²	80	108.9 Å²	108.9	66%	0.661	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-73	-14.6	-179.2	0	0	0	0	0	115	D36	D36-A38 HydrophobicContact CB-CB 4.02Å; D36-A38 PolarHBondContact O-N 2.88Å
39	D	34.8	Very low	56.2	Low	149 Å²	149	104.8 Å²	104.8	80%	0.797	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-93.9	9.3	-176.3	-99.1	-8	0	0	0	115.1	P37	P37-D39 VanDerWaalsContact C-N 3.34Å; P37-D39 PolarHBondContact O-N 2.95Å
40	S	44.3	Very low	59.3	Low	90 Å²	90	100 Å²	100	63%	0.629	57%	0.568	S	S	*	*	S	Bend	trans	-69.4	125.2	163	-70.2	0	0	0	0	108.8	A42	S40-A42 PolarHBondContact O-N 3.46Å
41	P	58.3	Low	62.3	Low	100 Å²	100	91.7 Å²	91.7	65%	0.649	53%	0.529	S	S	*	.			trans	-55.7	117.5	178.3	21.5	-31.5	0	0	0	108.1	R43	P41-R43 VanDerWaalsContact O-CG 3.27Å; P41-R43 WeakPolarHBondContact O-CG 3.27Å; P41-R43 PolarHBondContact O-N 2.91Å
42	A	69.3	Low	65.2	Low	42 Å²	42	85.9 Å²	85.9	35%	0.347	49%	0.492	S	S	.	.			trans	-54.7	108.3	-173.7	0	0	0	0	0	110	S40 L344 R348	S40-A42 PolarHBondContact O-N 3.46Å; A42-L344 HydrophobicContact CB-CD1 3.97Å; A42-L344 HydrophobicContact CB-CD2 4.22Å; A42-R348 VanDerWaalsContact CB-NH2 3.33Å
43	R	83.8	Confident	68.2	Low	210 Å²	210	80.8 Å²	80.8	79%	0.792	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-91.4	137.5	-179.2	-63.2	-169.6	-178.6	179.5	-0.5	109.3	P41	P41-R43 VanDerWaalsContact O-CG 3.27Å; P41-R43 WeakPolarHBondContact O-CG 3.27Å; P41-R43 PolarHBondContact O-N 2.91Å
44	L	89.4	Confident	70.9	Confident	16 Å²	16	72.9 Å²	72.9	8%	0.084	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-62.8	141.1	172.3	-72.4	164.8	0	0	0	109.7	L51 D325 A326 K340 V343 L344	L44-L51 HydrophobicContact CD1-CD1 3.69Å; L44-D325 HydrophobicContact CB-CB 4.41Å; L44-D325 HydrophobicContact CD1-CB 4.26Å; L44-D325 WeakPolarHBondContact CD1-O 3.35Å; L44-A326 HydrophobicContact CB-CB 4.46Å; L44-K340 HydrophobicContact CD1-CG 4.16Å; L44-V343 HydrophobicContact CD2-CB 4.02Å; L44-V343 HydrophobicContact CD2-CG1 3.62Å; L44-L344 HydrophobicContact CD2-CD2 3.75Å; L44-L344 HydrophobicContact CD2-CG 3.72Å; L44-L344 HydrophobicContact CG-CD2 4.01Å; L44-L344 HydrophobicContact CG-CG 4.26Å
45	H	87.7	Confident	73.8	Confident	86 Å²	86	70.2 Å²	70.2	40%	0.398	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-65.7	145.7	175.8	-72.8	-97.8	0	0	0	111.6	T48 Q347	H45-T48 HydrophobicContact CB-CG2 4.42Å; H45-T48 PolarHBondContact O-OG1 2.91Å; H45-Q347 PolarHBondContact CD2-OE1 3.39Å
46	T	91.3	Very high	76.8	Confident	89 Å²	89	59.4 Å²	59.4	55%	0.546	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	148.9	172.2	57	0	0	0	0	110.9	T48 D324 A326	T46-T48 VanDerWaalsContact C-N 3.34Å; T46-D324 VanDerWaalsContact CA-OD2 3.31Å; T46-D324 WeakPolarHBondContact CA-OD2 3.41Å; T46-D324 WeakPolarHBondContact CB-OD2 3.48Å; T46-A326 HydrophobicContact CG2-CB 4.13Å
47	G	88.1	Confident	79.9	Confident	38 Å²	38	53.6 Å²	53.6	39%	0.392	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	5.8	175.8	0	0	0	0	0	115.8	F49 D324	G47-F49 WeakPolarHBondContact O-CD2 3.31Å; G47-F49 WeakPolarHBondContact O-CE2 3.43Å; G47-D324 PolarHBondContact N-OD2 2.91Å
48	T	92.3	Very high	82.6	Confident	35 Å²	35	51.9 Å²	51.9	22%	0.215	29%	0.294	C	S	.	.			trans	-100.7	156.3	167.2	67	0	0	0	0	110.7	H45 T46 D324 D325 Q347	H45-T48 HydrophobicContact CB-CG2 4.42Å; H45-T48 PolarHBondContact O-OG1 2.91Å; T46-T48 VanDerWaalsContact C-N 3.34Å; T48-D324 WeakPolarHBondContact O-CA 3.44Å; T48-D324 WeakPolarHBondContact O-CB 3.26Å; T48-D325 VanDerWaalsContact C-CG 3.48Å; T48-D325 VanDerWaalsContact CB-OD2 3.25Å; T48-D325 WeakPolarHBondContact CB-OD2 3.46Å; T48-D325 VanDerWaalsContact O-CG 3.25Å; T48-D325 PolarHBondContact O-N 3.48Å; T48-D325 PolarHBondContact OG1-OD2 3.33Å; T48-Q347 PolarHBondContact OG1-NE2 2.86Å
49	F	94.6	Very high	85.5	Confident	10 Å²	10	49.2 Å²	49.2	4%	0.044	27%	0.273	C	S	.	.			trans	-140.8	38	-167.9	-61.4	-87.2	0	0	0	113.3	G47 T52 R53 T202 Q204 L207 F323 D324 D325	G47-F49 WeakPolarHBondContact O-CD2 3.31Å; G47-F49 WeakPolarHBondContact O-CE2 3.43Å; F49-T52 HydrophobicContact CD1-CG2 4.16Å; F49-R53 WeakPolarHBondContact O-CB 3.37Å; F49-R53 PolarHBondContact O-N 3.28Å; F49-T202 HydrophobicContact CB-CG2 4.02Å; F49-T202 PolarHBondContact O-OG1 2.86Å; F49-Q204 VanDerWaalsContact CE2-NE2 3.34Å; F49-L207 HydrophobicContact CB-CD1 3.63Å; F49-L207 HydrophobicContact CD1-CD1 3.69Å; F49-L207 HydrophobicContact CD1-CD2 4.38Å; F49-L207 HydrophobicContact CD2-CD1 3.27Å; F49-L207 HydrophobicContact CE1-CD1 4.15Å; F49-L207 HydrophobicContact CE2-CD1 3.78Å; F49-L207 HydrophobicContact CG-CD1 3.23Å; F49-L207 HydrophobicContact CG-CD2 4.49Å; F49-L207 HydrophobicContact CG-CG 4.48Å; F49-L207 HydrophobicContact CZ-CD1 4.2Å; F49-F323 WeakPolarHBondContact CD1-O 3.34Å; F49-F323 WeakPolarHBondContact CE1-O 3.38Å; F49-D324 HydrophobicContact CD1-CB 4.33Å; F49-D324 HydrophobicContact CE1-CB 3.85Å; F49-D324 HydrophobicContact CZ-CB 4.09Å; F49-D325 VanDerWaalsContact C-OD1 3.3Å; F49-D325 WeakPolarHBondContact CA-OD1 3.43Å; F49-D325 PolarHBondContact N-OD2 2.99Å; F49-D325 VanDerWaalsContact N-OD2 3.13Å
50	W	93.7	Very high	88.5	Confident	15 Å²	15	42.2 Å²	42.2	6%	0.057	24%	0.235	C	C	.	.	H	α-helix	trans	-70.6	-47.8	177.8	-67.9	102.1	0	0	0	112.5	L196 P197 P201 D325 V343 I346	W50-L196 HydrophobicContact CB-CD2 3.96Å; W50-L196 HydrophobicContact CE3-CD2 4.16Å; W50-P197 WeakPolarHBondContact CH2-O 3.41Å; W50-P197 VanDerWaalsContact CZ3-O 3.22Å; W50-P197 WeakPolarHBondContact CZ3-O 3.28Å; W50-P201 HydrophobicContact CH2-CB 4.06Å; W50-P201 HydrophobicContact CZ2-CB 3.83Å; W50-D325 VanDerWaalsContact N-CG 3.3Å; W50-D325 PolarHBondContact N-OD1 3.08Å; W50-D325 PolarHBondContact N-OD2 3.38Å; W50-V343 HydrophobicContact CB-CG1 4.02Å; W50-V343 HydrophobicContact CB-CG2 3.73Å; W50-V343 HydrophobicContact CG-CG1 4.22Å; W50-V343 HydrophobicContact CG-CG2 4.39Å; W50-I346 HydrophobicContact CZ2-CG2 4.15Å
51	L	94.5	Very high	91.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-72.5	-42	176.9	-61.5	179.2	0	0	0	110.3	L44 R53 I54 V55 D325 F332 L339 V343	L44-L51 HydrophobicContact CD1-CD1 3.69Å; L51-R53 PolarHBondContact O-N 2.95Å; L51-I54 WeakPolarHBondContact O-CB 3.42Å; L51-I54 PolarHBondContact O-N 2.81Å; L51-V55 PolarHBondContact O-N 3.5Å; L51-V55 VanDerWaalsContact O-N 3.1Å; L51-D325 WeakPolarHBondContact CB-OD1 3.46Å; L51-D325 HydrophobicContact CD1-CB 4.37Å; L51-D325 PolarHBondContact N-OD1 2.67Å; L51-F332 HydrophobicContact CB-CD2 4.21Å; L51-F332 HydrophobicContact CB-CE2 3.69Å; L51-F332 HydrophobicContact CB-CZ 4.09Å; L51-F332 HydrophobicContact CD1-CD2 3.8Å; L51-F332 HydrophobicContact CD1-CE2 4.16Å; L51-F332 HydrophobicContact CD1-CG 4.36Å; L51-F332 HydrophobicContact CD2-CD1 4.13Å; L51-F332 HydrophobicContact CD2-CD2 3.99Å; L51-F332 HydrophobicContact CD2-CE1 4.15Å; L51-F332 HydrophobicContact CD2-CE2 4.04Å; L51-F332 HydrophobicContact CD2-CG 4.03Å; L51-F332 HydrophobicContact CD2-CZ 4.1Å; L51-F332 HydrophobicContact CG-CD2 4.22Å; L51-F332 HydrophobicContact CG-CE2 4.17Å; L51-L339 HydrophobicContact CD2-CB 4.18Å; L51-V343 HydrophobicContact CD2-CG2 3.85Å; L51-V343 HydrophobicContact CG-CG2 4.14Å
52	T	95.3	Very high	93	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-54.9	-42.2	176.3	-48.4	0	0	0	0	111.7	F49 I54 V55 L56 L320 F323 L328	F49-T52 HydrophobicContact CD1-CG2 4.16Å; T52-I54 VanDerWaalsContact C-N 3.33Å; T52-I54 PolarHBondContact O-N 2.74Å; T52-V55 PolarHBondContact O-N 3.3Å; T52-L56 HydrophobicContact CG2-CD1 3.96Å; T52-L56 HydrophobicContact CG2-CG 4.38Å; T52-L56 WeakPolarHBondContact O-CB 3.36Å; T52-L56 WeakPolarHBondContact O-CG 3.24Å; T52-L56 PolarHBondContact O-N 3.47Å; T52-L320 VanDerWaalsContact CG2-O 3.29Å; T52-L320 WeakPolarHBondContact CG2-O 3.19Å; T52-F323 VanDerWaalsContact CG2-O 3.22Å; T52-F323 WeakPolarHBondContact CG2-O 3.45Å; T52-F323 PolarHBondContact OG1-O 2.85Å; T52-L328 HydrophobicContact CG2-CD1 4.12Å
53	R	95.3	Very high	94.4	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.015	17%	0.172	C	C	.	.	H	α-helix	trans	-57.9	-43.9	175.6	177.6	-176.5	63	-155.8	-8.1	112.2	F49 L51 L56 L57 L187 R195 T200 T202	F49-R53 WeakPolarHBondContact O-CB 3.37Å; F49-R53 PolarHBondContact O-N 3.28Å; L51-R53 PolarHBondContact O-N 2.95Å; R53-L56 PolarHBondContact O-N 3.07Å; R53-L57 HydrophobicContact CG-CD1 3.76Å; R53-L57 HydrophobicContact CG-CG 4.34Å; R53-L57 WeakPolarHBondContact O-CB 3.36Å; R53-L57 WeakPolarHBondContact O-CG 3.38Å; R53-L57 PolarHBondContact O-N 3.21Å; R53-L187 WeakPolarHBondContact CD-O 3.46Å; R53-L187 HydrophobicContact CG-CB 4.27Å; R53-R195 PolarHBondContact NH2-O 3.13Å; R53-T200 PolarHBondContact NH1-O 3.03Å; R53-T202 HydrophobicContact CB-CG2 4.4Å
54	I	95.4	Very high	95.1	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-63.8	-44.8	-179.9	-63.1	171.7	0	0	0	110.1	L51 T52 R58 R195 L196 L339	L51-I54 WeakPolarHBondContact O-CB 3.42Å; L51-I54 PolarHBondContact O-N 2.81Å; T52-I54 VanDerWaalsContact C-N 3.33Å; T52-I54 PolarHBondContact O-N 2.74Å; I54-R58 WeakPolarHBondContact O-CB 3.2Å; I54-R58 WeakPolarHBondContact O-CG 3.39Å; I54-R58 PolarHBondContact O-N 3.13Å; I54-R195 HydrophobicContact CD1-CB 4.21Å; I54-L196 HydrophobicContact CD1-CD2 3.92Å; I54-L196 HydrophobicContact CD1-CG 4.31Å; I54-L339 HydrophobicContact CD1-CD1 4.01Å; I54-L339 HydrophobicContact CD1-CD2 4.35Å
55	V	96.7	Very high	95.5	Very high	31 Å²	31	26.7 Å²	26.7	19%	0.188	14%	0.144	C	C	.	.	H	α-helix	trans	-64.5	-44.5	178.5	-172.5	0	0	0	0	110.7	L51 T52 R58 A59 L320 L328 F332	L51-V55 PolarHBondContact O-N 3.5Å; L51-V55 VanDerWaalsContact O-N 3.1Å; T52-V55 PolarHBondContact O-N 3.3Å; V55-R58 PolarHBondContact O-N 3.18Å; V55-A59 VanDerWaalsContact O-CB 3.26Å; V55-A59 WeakPolarHBondContact O-CB 3.26Å; V55-A59 PolarHBondContact O-N 2.97Å; V55-L320 HydrophobicContact CG1-CD1 3.92Å; V55-L320 HydrophobicContact CG1-CD2 4.35Å; V55-L328 HydrophobicContact CG2-CD1 4.24Å; V55-F332 HydrophobicContact CG2-CE2 4.04Å; V55-F332 HydrophobicContact CG2-CZ 3.79Å
56	L	97.2	Very high	96.1	Very high	2 Å²	2	23 Å²	23	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-58.2	-50.3	176.3	-82.3	168	0	0	0	112.3	T52 R53 A59 L60 L187 L207 F210 V317 L320 A321	T52-L56 HydrophobicContact CG2-CD1 3.96Å; T52-L56 HydrophobicContact CG2-CG 4.38Å; T52-L56 WeakPolarHBondContact O-CB 3.36Å; T52-L56 WeakPolarHBondContact O-CG 3.24Å; T52-L56 PolarHBondContact O-N 3.47Å; R53-L56 PolarHBondContact O-N 3.07Å; L56-A59 PolarHBondContact O-N 2.86Å; L56-L60 VanDerWaalsContact O-CB 3.3Å; L56-L60 WeakPolarHBondContact O-CB 3.33Å; L56-L60 PolarHBondContact O-N 3.31Å; L56-L187 HydrophobicContact CB-CD1 3.95Å; L56-L187 HydrophobicContact CD1-CD1 4.11Å; L56-L207 HydrophobicContact CD1-CD2 4.06Å; L56-F210 HydrophobicContact CD2-CD1 4.42Å; L56-F210 HydrophobicContact CD2-CE1 4.43Å; L56-V317 HydrophobicContact CD2-CG1 4.07Å; L56-V317 WeakPolarHBondContact CD2-O 3.27Å; L56-L320 HydrophobicContact CD2-CB 3.76Å; L56-L320 HydrophobicContact CD2-CD1 4.42Å; L56-L320 HydrophobicContact CG-CB 4.14Å; L56-A321 HydrophobicContact CD1-CB 4.35Å
57	L	96.9	Very high	96.4	Very high	6 Å²	6	18.8 Å²	18.8	3%	0.031	10%	0.101	C	C	.	.	H	α-helix	trans	-64.8	-40.6	-179	-73.3	169.9	0	0	0	111.8	R53 A61 A146 M151 L187	R53-L57 HydrophobicContact CG-CD1 3.76Å; R53-L57 HydrophobicContact CG-CG 4.34Å; R53-L57 WeakPolarHBondContact O-CB 3.36Å; R53-L57 WeakPolarHBondContact O-CG 3.38Å; R53-L57 PolarHBondContact O-N 3.21Å; L57-A61 WeakPolarHBondContact O-CB 3.43Å; L57-A61 PolarHBondContact O-N 2.89Å; L57-A146 HydrophobicContact CD1-CB 4.02Å; L57-A146 HydrophobicContact CD2-CB 4.3Å; L57-M151 HydrophobicContact CD2-CE 4.07Å; L57-M151 HydrophobicContact CD2-CG 4.4Å; L57-M151 HydrophobicContact CD2-SD 4.07Å; L57-L187 HydrophobicContact CD2-CB 4.17Å; L57-L187 HydrophobicContact CD2-CD1 4.32Å; L57-L187 HydrophobicContact CG-CB 4.46Å; L57-L187 HydrophobicContact CG-CD1 4.41Å
58	R	97.6	Very high	96.9	Very high	84 Å²	84	17 Å²	17	32%	0.317	8%	0.083	S	C	.	.	H	α-helix	trans	-66.6	-44.1	175.7	-77.3	-177.7	163.2	-178.4	-6.1	112.2	I54 V55 A61 F62 L141 V142	I54-R58 WeakPolarHBondContact O-CB 3.2Å; I54-R58 WeakPolarHBondContact O-CG 3.39Å; I54-R58 PolarHBondContact O-N 3.13Å; V55-R58 PolarHBondContact O-N 3.18Å; R58-A61 PolarHBondContact O-N 3.43Å; R58-F62 WeakPolarHBondContact O-CB 3.43Å; R58-F62 PolarHBondContact O-N 3.46Å; R58-L141 HydrophobicContact CB-CD1 4.36Å; R58-L141 PolarHBondContact NE-O 3.36Å; R58-L141 WeakPolarHBondContact O-CD1 3.25Å; R58-V142 PolarHBondContact NH2-O 2.92Å
59	A	98.3	Very high	97.2	Very high	25 Å²	25	17.8 Å²	17.8	21%	0.207	9%	0.086	C	C	.	.	H	α-helix	trans	-62.7	-44.4	177.6	0	0	0	0	0	111	V55 L56 F62 I63 V317 L320	V55-A59 VanDerWaalsContact O-CB 3.26Å; V55-A59 WeakPolarHBondContact O-CB 3.26Å; V55-A59 PolarHBondContact O-N 2.97Å; L56-A59 PolarHBondContact O-N 2.86Å; A59-F62 WeakPolarHBondContact O-CB 3.27Å; A59-F62 PolarHBondContact O-N 2.97Å; A59-I63 WeakPolarHBondContact O-CG1 3.39Å; A59-I63 PolarHBondContact O-N 3.38Å; A59-I63 VanDerWaalsContact O-N 3.13Å; A59-V317 HydrophobicContact CB-CG2 4.02Å; A59-L320 HydrophobicContact CB-CD1 3.83Å
60	L	98.5	Very high	97.3	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-62.7	-43.7	174.8	178.5	56.9	0	0	0	112.2	L56 F62 I63 Y64 M151 L177 T180 V317	L56-L60 VanDerWaalsContact O-CB 3.3Å; L56-L60 WeakPolarHBondContact O-CB 3.33Å; L56-L60 PolarHBondContact O-N 3.31Å; L60-F62 VanDerWaalsContact C-N 3.3Å; L60-F62 PolarHBondContact O-N 3.06Å; L60-I63 PolarHBondContact O-N 3.43Å; L60-Y64 HydrophobicContact CD1-CD2 3.92Å; L60-Y64 HydrophobicContact CD1-CE2 3.67Å; L60-Y64 HydrophobicContact CD2-CE2 4.28Å; L60-Y64 HydrophobicContact CG-CD2 3.92Å; L60-Y64 HydrophobicContact CG-CE2 3.81Å; L60-Y64 WeakPolarHBondContact O-CD2 3.38Å; L60-Y64 PolarHBondContact O-N 3.41Å; L60-M151 HydrophobicContact CD2-CE 3.6Å; L60-M151 HydrophobicContact CG-CE 4.24Å; L60-L177 HydrophobicContact CD1-CD1 3.77Å; L60-T180 HydrophobicContact CD1-CG2 3.86Å; L60-V317 HydrophobicContact CB-CG1 4.34Å
61	A	98.5	Very high	97.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.4	-37	176.2	0	0	0	0	0	112.3	L57 R58 Y64 F65 S137 V140 L141	L57-A61 WeakPolarHBondContact O-CB 3.43Å; L57-A61 PolarHBondContact O-N 2.89Å; R58-A61 PolarHBondContact O-N 3.43Å; A61-Y64 PolarHBondContact O-N 3.03Å; A61-F65 WeakPolarHBondContact O-CB 3.37Å; A61-F65 PolarHBondContact O-N 3.43Å; A61-S137 WeakPolarHBondContact O-CB 3.34Å; A61-V140 HydrophobicContact CB-CB 3.87Å; A61-V140 HydrophobicContact CB-CG1 3.72Å; A61-L141 HydrophobicContact CB-CB 4.15Å
62	F	98.6	Very high	97.7	Very high	66 Å²	66	19.9 Å²	19.9	29%	0.289	10%	0.095	S	C	.	.	H	α-helix	trans	-61.3	-44.2	172.5	173.8	-105.3	0	0	0	112.1	R58 A59 L60 F65 V66 L141 W313 P459	R58-F62 WeakPolarHBondContact O-CB 3.43Å; R58-F62 PolarHBondContact O-N 3.46Å; A59-F62 WeakPolarHBondContact O-CB 3.27Å; A59-F62 PolarHBondContact O-N 2.97Å; L60-F62 VanDerWaalsContact C-N 3.3Å; L60-F62 PolarHBondContact O-N 3.06Å; F62-F65 WeakPolarHBondContact O-CB 3.46Å; F62-F65 PolarHBondContact O-N 3.21Å; F62-V66 HydrophobicContact CE1-CG2 4.3Å; F62-V66 HydrophobicContact CE2-CG2 4.1Å; F62-V66 HydrophobicContact CZ-CG2 3.99Å; F62-V66 WeakPolarHBondContact O-CG2 3.46Å; F62-V66 PolarHBondContact O-N 2.78Å; F62-L141 HydrophobicContact CB-CD1 3.98Å; F62-L141 HydrophobicContact CB-CD2 4.42Å; F62-L141 HydrophobicContact CD2-CD2 4.33Å; F62-W313 HydrophobicContact CE1-CE3 4.06Å; F62-W313 HydrophobicContact CE1-CZ3 4.39Å; F62-P459 HydrophobicContact CE1-CG 4.22Å; F62-P459 HydrophobicContact CZ-CG 3.96Å
63	I	98.6	Very high	97.8	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.015	12%	0.118	C	C	.	.	H	α-helix	trans	-64.5	-43.4	176.3	-54.3	-56.8	0	0	0	111.2	A59 L60 F65 V66 A67 L177 F310 W313 L314 V317	A59-I63 WeakPolarHBondContact O-CG1 3.39Å; A59-I63 PolarHBondContact O-N 3.38Å; A59-I63 VanDerWaalsContact O-N 3.13Å; L60-I63 PolarHBondContact O-N 3.43Å; I63-F65 VanDerWaalsContact C-N 3.32Å; I63-F65 PolarHBondContact O-N 2.88Å; I63-V66 PolarHBondContact O-N 2.98Å; I63-A67 WeakPolarHBondContact O-CB 3.48Å; I63-A67 PolarHBondContact O-N 3.37Å; I63-L177 HydrophobicContact CB-CD1 4.29Å; I63-L177 HydrophobicContact CG2-CD1 3.84Å; I63-L177 HydrophobicContact CG2-CD2 4.12Å; I63-F310 HydrophobicContact CG2-CB 4.37Å; I63-F310 HydrophobicContact CG2-CD2 3.63Å; I63-F310 HydrophobicContact CG2-CE2 4.16Å; I63-F310 HydrophobicContact CG2-CG 4.16Å; I63-W313 HydrophobicContact CD1-CB 3.5Å; I63-W313 VanDerWaalsContact CD1-CB 3.5Å; I63-L314 HydrophobicContact CG1-CB 4.48Å; I63-L314 HydrophobicContact CG1-CD1 4.38Å; I63-L314 HydrophobicContact CG2-CB 4.32Å; I63-L314 HydrophobicContact CG2-CD1 4.16Å; I63-V317 HydrophobicContact CG1-CG2 4.15Å
64	Y	98.6	Very high	97.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.4	-45	174.1	-86.7	-58.6	0	0	0	112	L60 A61 V66 A67 F68 L154 Y158 L177 G181	L60-Y64 HydrophobicContact CD1-CD2 3.92Å; L60-Y64 HydrophobicContact CD1-CE2 3.67Å; L60-Y64 HydrophobicContact CD2-CE2 4.28Å; L60-Y64 HydrophobicContact CG-CD2 3.92Å; L60-Y64 HydrophobicContact CG-CE2 3.81Å; L60-Y64 WeakPolarHBondContact O-CD2 3.38Å; L60-Y64 PolarHBondContact O-N 3.41Å; A61-Y64 PolarHBondContact O-N 3.03Å; Y64-V66 VanDerWaalsContact C-N 3.35Å; Y64-V66 PolarHBondContact O-N 2.78Å; Y64-A67 PolarHBondContact O-N 2.9Å; Y64-F68 HydrophobicContact CD1-CD2 4.32Å; Y64-F68 AromaticContact CD1-CE2 3.71Å; Y64-F68 HydrophobicContact CD1-CE2 3.71Å; Y64-F68 HydrophobicContact CD1-CZ 4.49Å; Y64-F68 HydrophobicContact CE1-CE2 4.48Å; Y64-F68 HydrophobicContact CG-CE2 4.33Å; Y64-F68 WeakPolarHBondContact O-CB 3.45Å; Y64-F68 WeakPolarHBondContact O-CD2 3.25Å; Y64-F68 PolarHBondContact O-N 3.01Å; Y64-L154 HydrophobicContact CD2-CB 4.3Å; Y64-L154 HydrophobicContact CD2-CD1 4.12Å; Y64-L154 HydrophobicContact CE2-CB 4.2Å; Y64-L154 HydrophobicContact CG-CB 4.48Å; Y64-Y158 HydrophobicContact CD1-CG 4.4Å; Y64-Y158 HydrophobicContact CE1-CD1 4.33Å; Y64-Y158 AromaticContact CE1-CG 3.97Å; Y64-Y158 HydrophobicContact CE1-CG 3.97Å; Y64-L177 HydrophobicContact CD1-CD1 4.31Å; Y64-L177 HydrophobicContact CD1-CD2 3.92Å; Y64-L177 HydrophobicContact CD1-CG 4.24Å; Y64-L177 HydrophobicContact CE1-CD1 4.1Å; Y64-L177 HydrophobicContact CE1-CD2 3.97Å; Y64-L177 HydrophobicContact CE1-CG 3.85Å; Y64-L177 HydrophobicContact CE2-CD1 4.33Å; Y64-G181 VanDerWaalsContact OH-CA 3.22Å; Y64-G181 WeakPolarHBondContact OH-CA 3.29Å
65	F	98.7	Very high	97.9	Very high	63 Å²	63	24.1 Å²	24.1	28%	0.276	12%	0.118	S	C	.	.	H	α-helix	trans	-55.7	-50.3	176.8	173.6	-92.7	0	0	0	111.2	A61 F62 I63 A67 F68 L69 L134 S137 S138	A61-F65 WeakPolarHBondContact O-CB 3.37Å; A61-F65 PolarHBondContact O-N 3.43Å; F62-F65 WeakPolarHBondContact O-CB 3.46Å; F62-F65 PolarHBondContact O-N 3.21Å; I63-F65 VanDerWaalsContact C-N 3.32Å; I63-F65 PolarHBondContact O-N 2.88Å; F65-A67 PolarHBondContact O-N 3.06Å; F65-F68 PolarHBondContact O-N 3.2Å; F65-L69 HydrophobicContact CE1-CD2 4.27Å; F65-L69 VanDerWaalsContact O-CB 3.28Å; F65-L69 WeakPolarHBondContact O-CB 3.46Å; F65-L69 PolarHBondContact O-N 3.24Å; F65-L134 HydrophobicContact CD2-CD2 3.59Å; F65-L134 HydrophobicContact CE2-CD2 3.66Å; F65-L134 HydrophobicContact CG-CD2 4.24Å; F65-L134 HydrophobicContact CZ-CD2 4.34Å; F65-L134 WeakPolarHBondContact O-CD2 3.36Å; F65-S137 WeakPolarHBondContact CA-OG 3.28Å; F65-S138 VanDerWaalsContact CD2-OG 3.28Å; F65-S138 WeakPolarHBondContact CD2-OG 3.47Å; F65-S138 WeakPolarHBondContact CE2-OG 3.4Å
66	V	98.5	Very high	97.9	Very high	9 Å²	9	26 Å²	26	6%	0.055	12%	0.124	C	C	.	.	H	α-helix	trans	-62.3	-43.8	177.8	175.2	0	0	0	0	111.2	F62 I63 Y64 L69 V70 F310 P459	F62-V66 HydrophobicContact CE1-CG2 4.3Å; F62-V66 HydrophobicContact CE2-CG2 4.1Å; F62-V66 HydrophobicContact CZ-CG2 3.99Å; F62-V66 WeakPolarHBondContact O-CG2 3.46Å; F62-V66 PolarHBondContact O-N 2.78Å; I63-V66 PolarHBondContact O-N 2.98Å; Y64-V66 VanDerWaalsContact C-N 3.35Å; Y64-V66 PolarHBondContact O-N 2.78Å; V66-L69 WeakPolarHBondContact O-CB 3.31Å; V66-L69 PolarHBondContact O-N 3.33Å; V66-V70 HydrophobicContact CG1-CG2 4.47Å; V66-V70 WeakPolarHBondContact O-CB 3.44Å; V66-V70 VanDerWaalsContact O-CG2 3.29Å; V66-V70 WeakPolarHBondContact O-CG2 3.39Å; V66-V70 PolarHBondContact O-N 3.07Å; V66-F310 HydrophobicContact CG1-CD1 4.34Å; V66-P459 HydrophobicContact CG1-CB 4.18Å; V66-P459 HydrophobicContact CG1-CG 4.11Å; V66-P459 WeakPolarHBondContact CG1-O 3.43Å; V66-P459 HydrophobicContact CG2-CG 3.85Å
67	A	98.3	Very high	97.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66.2	-39.7	-177.9	0	0	0	0	0	112.5	I63 Y64 F65 A71 Y158 L177 F310	I63-A67 WeakPolarHBondContact O-CB 3.48Å; I63-A67 PolarHBondContact O-N 3.37Å; Y64-A67 PolarHBondContact O-N 2.9Å; F65-A67 PolarHBondContact O-N 3.06Å; A67-A71 WeakPolarHBondContact O-CB 3.45Å; A67-A71 PolarHBondContact O-N 2.82Å; A67-Y158 HydrophobicContact CB-CD2 4.38Å; A67-Y158 HydrophobicContact CB-CE2 3.6Å; A67-L177 HydrophobicContact CB-CD2 3.77Å; A67-F310 HydrophobicContact CB-CE1 4Å; A67-F310 HydrophobicContact CB-CZ 3.96Å
68	F	98.6	Very high	97.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-73.2	-32.1	173.7	-73.9	-64.2	0	0	0	112.6	Y64 F65 A71 F72 I129 G133 L134 L154 L157 Y158 L161	Y64-F68 HydrophobicContact CD1-CD2 4.32Å; Y64-F68 AromaticContact CD1-CE2 3.71Å; Y64-F68 HydrophobicContact CD1-CE2 3.71Å; Y64-F68 HydrophobicContact CD1-CZ 4.49Å; Y64-F68 HydrophobicContact CE1-CE2 4.48Å; Y64-F68 HydrophobicContact CG-CE2 4.33Å; Y64-F68 WeakPolarHBondContact O-CB 3.45Å; Y64-F68 WeakPolarHBondContact O-CD2 3.25Å; Y64-F68 PolarHBondContact O-N 3.01Å; F65-F68 PolarHBondContact O-N 3.2Å; F68-A71 WeakPolarHBondContact O-CB 3.43Å; F68-A71 PolarHBondContact O-N 3.36Å; F68-F72 WeakPolarHBondContact O-CB 3.33Å; F68-F72 PolarHBondContact O-N 2.83Å; F68-I129 HydrophobicContact CE1-CG2 4.47Å; F68-G133 VanDerWaalsContact CD2-C 3.48Å; F68-G133 VanDerWaalsContact CD2-CA 3.47Å; F68-L134 HydrophobicContact CB-CD2 4.15Å; F68-L134 HydrophobicContact CB-CG 3.85Å; F68-L154 HydrophobicContact CD2-CD2 4.46Å; F68-L154 HydrophobicContact CE2-CD2 3.8Å; F68-L157 HydrophobicContact CE1-CB 4.06Å; F68-L157 HydrophobicContact CZ-CB 3.78Å; F68-Y158 HydrophobicContact CE1-CD2 4.18Å; F68-Y158 HydrophobicContact CZ-CD2 4.16Å; F68-Y158 HydrophobicContact CZ-CG 4.48Å; F68-L161 HydrophobicContact CD1-CD1 3.88Å; F68-L161 HydrophobicContact CE1-CD1 3.84Å
69	L	98.5	Very high	97.7	Very high	53 Å²	53	22.1 Å²	22.1	28%	0.277	11%	0.11	S	C	.	.	H	α-helix	trans	-63.2	-45	172	-177.1	63.2	0	0	0	111.1	F65 V66 A71 F72 N73 L134 Y460	F65-L69 HydrophobicContact CE1-CD2 4.27Å; F65-L69 VanDerWaalsContact O-CB 3.28Å; F65-L69 WeakPolarHBondContact O-CB 3.46Å; F65-L69 PolarHBondContact O-N 3.24Å; V66-L69 WeakPolarHBondContact O-CB 3.31Å; V66-L69 PolarHBondContact O-N 3.33Å; L69-A71 VanDerWaalsContact C-N 3.3Å; L69-A71 PolarHBondContact O-N 3.43Å; L69-F72 PolarHBondContact O-N 3.06Å; L69-N73 PolarHBondContact O-N 3.44Å; L69-N73 VanDerWaalsContact O-N 3.11Å; L69-N73 PolarHBondContact O-ND2 3.25Å; L69-L134 HydrophobicContact CB-CD2 3.97Å; L69-Y460 HydrophobicContact CD2-CE2 4.38Å; L69-Y460 HydrophobicContact CG-CE2 4.23Å
70	V	97.9	Very high	97.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-57.8	-45.2	173.7	162.5	0	0	0	0	110.6	V66 Q74 Y460 H461 R463	V66-V70 HydrophobicContact CG1-CG2 4.47Å; V66-V70 WeakPolarHBondContact O-CB 3.44Å; V66-V70 VanDerWaalsContact O-CG2 3.29Å; V66-V70 WeakPolarHBondContact O-CG2 3.39Å; V66-V70 PolarHBondContact O-N 3.07Å; V70-Q74 WeakPolarHBondContact O-CB 3.4Å; V70-Q74 PolarHBondContact O-N 3.49Å; V70-Q74 PolarHBondContact O-NE2 3.42Å; V70-Y460 HydrophobicContact CB-CE2 4.35Å; V70-Y460 HydrophobicContact CG2-CD1 4.38Å; V70-Y460 HydrophobicContact CG2-CD2 3.62Å; V70-Y460 HydrophobicContact CG2-CE1 4.26Å; V70-Y460 HydrophobicContact CG2-CE2 3.5Å; V70-Y460 VanDerWaalsContact CG2-CE2 3.5Å; V70-Y460 HydrophobicContact CG2-CG 4.08Å; V70-H461 HydrophobicContact CG1-CB 4.18Å; V70-H461 HydrophobicContact CG2-CB 4.11Å; V70-R463 HydrophobicContact CG1-CG 4.46Å
71	A	97.8	Very high	97.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.5	-49.1	178	0	0	0	0	0	112.1	A67 F68 L69 N73 Q74 N75 A130 L161	A67-A71 WeakPolarHBondContact O-CB 3.45Å; A67-A71 PolarHBondContact O-N 2.82Å; F68-A71 WeakPolarHBondContact O-CB 3.43Å; F68-A71 PolarHBondContact O-N 3.36Å; L69-A71 VanDerWaalsContact C-N 3.3Å; L69-A71 PolarHBondContact O-N 3.43Å; A71-N73 VanDerWaalsContact C-N 3.29Å; A71-N73 PolarHBondContact O-N 2.91Å; A71-Q74 PolarHBondContact O-N 2.94Å; A71-N75 WeakPolarHBondContact CB-ND2 3.39Å; A71-N75 WeakPolarHBondContact O-CB 3.38Å; A71-N75 PolarHBondContact O-N 3.4Å; A71-N75 PolarHBondContact O-OD1 2.92Å; A71-A130 HydrophobicContact CB-CB 4.37Å; A71-L161 HydrophobicContact CB-CD1 3.7Å
72	F	97.9	Very high	96.8	Very high	69 Å²	69	29.9 Å²	29.9	30%	0.303	14%	0.137	S	C	.	.	H	α-helix	trans	-56.4	-43.1	179.5	-178.6	-110	0	0	0	112.1	F68 L69 Q74 D127 A130 L131 L134	F68-F72 WeakPolarHBondContact O-CB 3.33Å; F68-F72 PolarHBondContact O-N 2.83Å; L69-F72 PolarHBondContact O-N 3.06Å; F72-Q74 PolarHBondContact O-N 3.29Å; F72-D127 HydrophobicContact CE2-CB 4.37Å; F72-A130 HydrophobicContact CB-CB 3.83Å; F72-A130 HydrophobicContact CD2-CB 4.29Å; F72-L131 HydrophobicContact CD2-CD2 3.94Å; F72-L131 HydrophobicContact CD2-CG 3.89Å; F72-L131 HydrophobicContact CE2-CD1 3.92Å; F72-L131 HydrophobicContact CE2-CD2 3.66Å; F72-L131 HydrophobicContact CE2-CG 3.68Å; F72-L131 HydrophobicContact CZ-CD2 4.02Å; F72-L131 HydrophobicContact CZ-CG 4.49Å; F72-L134 HydrophobicContact CB-CD1 4.19Å; F72-L134 HydrophobicContact CG-CD1 4.41Å
73	N	97.1	Very high	96.5	Very high	88 Å²	88	26.8 Å²	26.8	47%	0.471	12%	0.123	S	C	.	.	H	α-helix	trans	-78	-17.5	-176.4	-70.5	-27	0	0	0	114.7	L69 A71 Y460	L69-N73 PolarHBondContact O-N 3.44Å; L69-N73 VanDerWaalsContact O-N 3.11Å; L69-N73 PolarHBondContact O-ND2 3.25Å; A71-N73 VanDerWaalsContact C-N 3.29Å; A71-N73 PolarHBondContact O-N 2.91Å; N73-Y460 VanDerWaalsContact CB-OH 3.26Å; N73-Y460 WeakPolarHBondContact CB-OH 3.17Å; N73-Y460 PolarHBondContact ND2-OH 3.3Å; N73-Y460 VanDerWaalsContact ND2-OH 3.15Å
74	Q	97.1	Very high	96.3	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.019	12%	0.123	C	C	.	.	H	α-helix	trans	-128	-23.9	-169.6	-69.5	172.9	90.1	0	0	114.4	V70 A71 F72 K76 A77 L78 Y460 H461 L499	V70-Q74 WeakPolarHBondContact O-CB 3.4Å; V70-Q74 PolarHBondContact O-N 3.49Å; V70-Q74 PolarHBondContact O-NE2 3.42Å; A71-Q74 PolarHBondContact O-N 2.94Å; F72-Q74 PolarHBondContact O-N 3.29Å; Q74-K76 VanDerWaalsContact C-N 3.35Å; Q74-K76 PolarHBondContact O-N 3.13Å; Q74-A77 PolarHBondContact O-N 2.98Å; Q74-L78 HydrophobicContact CB-CD1 3.76Å; Q74-L78 HydrophobicContact CB-CG 4.34Å; Q74-L78 WeakPolarHBondContact O-CB 3.4Å; Q74-L78 VanDerWaalsContact O-CG 3.28Å; Q74-L78 WeakPolarHBondContact O-CG 3.15Å; Q74-L78 PolarHBondContact O-N 3.31Å; Q74-Y460 PolarHBondContact NE2-OH 3.1Å; Q74-H461 PolarHBondContact NE2-O 2.94Å; Q74-L499 HydrophobicContact CB-CD2 4.27Å; Q74-L499 HydrophobicContact CG-CD2 4.06Å
75	N	96.9	Very high	96.1	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-67.1	-30.9	-168.9	-79.7	7.5	0	0	0	113.8	A71 L78 I79 G80 L126	A71-N75 WeakPolarHBondContact CB-ND2 3.39Å; A71-N75 WeakPolarHBondContact O-CB 3.38Å; A71-N75 PolarHBondContact O-N 3.4Å; A71-N75 PolarHBondContact O-OD1 2.92Å; N75-L78 PolarHBondContact O-N 3.28Å; N75-I79 HydrophobicContact CB-CD1 4.33Å; N75-I79 HydrophobicContact CB-CG1 4.03Å; N75-I79 CarbonylContact O-C 3.59Å; N75-I79 WeakPolarHBondContact O-CA 3.44Å; N75-I79 VanDerWaalsContact O-CG1 3.28Å; N75-I79 WeakPolarHBondContact O-CG1 3.29Å; N75-I79 PolarHBondContact O-N 3.09Å; N75-G80 PolarHBondContact O-N 3.26Å; N75-L126 HydrophobicContact CB-CD1 4.38Å; N75-L126 HydrophobicContact CB-CD2 4.49Å
76	K	94.8	Very high	95.9	Very high	71 Å²	71	25 Å²	25	31%	0.309	12%	0.117	S	C	.	.	H	α-helix	trans	-58	-54.6	174.1	-64.8	-173.3	-170.6	179.8	0	111.4	Q74 L78 G80 G83 N123 D127	Q74-K76 VanDerWaalsContact C-N 3.35Å; Q74-K76 PolarHBondContact O-N 3.13Å; K76-L78 VanDerWaalsContact C-N 3.31Å; K76-L78 PolarHBondContact O-N 3.36Å; K76-G80 VanDerWaalsContact O-CA 3.25Å; K76-G80 WeakPolarHBondContact O-CA 3.24Å; K76-G80 PolarHBondContact O-N 2.84Å; K76-G83 WeakPolarHBondContact O-CA 3.17Å; K76-N123 HydrophobicContact CD-CB 4.45Å; K76-N123 HydrophobicContact CG-CB 4.41Å; K76-D127 WeakPolarHBondContact CE-OD1 3.44Å; K76-D127 WeakPolarHBondContact CE-OD2 3.43Å; K76-D127 IonicContact NZ-OD1 2.73Å; K76-D127 IonicContact NZ-OD2 3.58Å; K76-D127 PolarHBondContact NZ-OD2 3.31Å
77	A	95.2	Very high	95.7	Very high	9 Å²	9	24.6 Å²	24.6	7%	0.074	12%	0.115	C	C	.	.	H	α-helix	trans	-68.4	-28.6	-179.6	0	0	0	0	0	113.2	Q74 G83 L84 E495 L499	Q74-A77 PolarHBondContact O-N 2.98Å; A77-G83 CarbonylContact O-C 3.43Å; A77-G83 WeakPolarHBondContact O-CA 3.19Å; A77-L84 PolarHBondContact O-N 3.43Å; A77-E495 HydrophobicContact CB-CB 4.1Å; A77-E495 WeakPolarHBondContact CB-O 3.38Å; A77-L499 HydrophobicContact CB-CD1 3.67Å; A77-L499 HydrophobicContact CB-CD2 3.9Å; A77-L499 HydrophobicContact CB-CG 3.65Å
78	L	96.4	Very high	95.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-85.6	-47.8	-179.6	-67.4	175.5	0	0	0	113.2	Q74 N75 K76 L84 L85 C168 R463 L499	Q74-L78 HydrophobicContact CB-CD1 3.76Å; Q74-L78 HydrophobicContact CB-CG 4.34Å; Q74-L78 WeakPolarHBondContact O-CB 3.4Å; Q74-L78 VanDerWaalsContact O-CG 3.28Å; Q74-L78 WeakPolarHBondContact O-CG 3.15Å; Q74-L78 PolarHBondContact O-N 3.31Å; N75-L78 PolarHBondContact O-N 3.28Å; K76-L78 VanDerWaalsContact C-N 3.31Å; K76-L78 PolarHBondContact O-N 3.36Å; L78-L84 HydrophobicContact CD2-CD1 4.05Å; L78-L84 PolarHBondContact O-N 2.92Å; L78-L84 VanDerWaalsContact O-N 3.07Å; L78-L85 PolarHBondContact O-N 3.38Å; L78-C168 HydrophobicContact CD1-CB 4.43Å; L78-R463 HydrophobicContact CD1-CB 3.74Å; L78-R463 HydrophobicContact CD1-CG 4.17Å; L78-L499 HydrophobicContact CD2-CD1 3.71Å; L78-L499 HydrophobicContact CG-CD1 4.27Å; L78-L499 HydrophobicContact CG-CD2 4.46Å
79	I	96.3	Very high	95.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-137.3	5	-168.4	63.9	171.9	0	0	0	114.4	N75 L85 C87 L126 V164	N75-I79 HydrophobicContact CB-CD1 4.33Å; N75-I79 HydrophobicContact CB-CG1 4.03Å; N75-I79 CarbonylContact O-C 3.59Å; N75-I79 WeakPolarHBondContact O-CA 3.44Å; N75-I79 VanDerWaalsContact O-CG1 3.28Å; N75-I79 WeakPolarHBondContact O-CG1 3.29Å; N75-I79 PolarHBondContact O-N 3.09Å; I79-L85 WeakPolarHBondContact CA-O 3.37Å; I79-L85 HydrophobicContact CG2-CB 4.42Å; I79-C87 HydrophobicContact CB-CB 4.3Å; I79-C87 WeakPolarHBondContact O-CB 3.38Å; I79-C87 PolarHBondContact O-N 3.48Å; I79-C87 PolarHBondContact O-SG 3.07Å; I79-L126 HydrophobicContact CD1-CD2 3.9Å; I79-L126 HydrophobicContact CG1-CD1 3.97Å; I79-L126 HydrophobicContact CG1-CD2 4.26Å; I79-V164 HydrophobicContact CD1-CG2 4.21Å
80	G	94.9	Very high	95	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-68.2	-171.5	176	0	0	0	0	0	113.6	N75 K76 R82 G83 P86 N123	N75-G80 PolarHBondContact O-N 3.26Å; K76-G80 VanDerWaalsContact O-CA 3.25Å; K76-G80 WeakPolarHBondContact O-CA 3.24Å; K76-G80 PolarHBondContact O-N 2.84Å; G80-R82 PolarHBondContact O-N 2.96Å; G80-G83 PolarHBondContact O-N 3.26Å; G80-P86 WeakPolarHBondContact O-CA 3.46Å; G80-N123 WeakPolarHBondContact CA-OD1 3.29Å
81	D	92.4	Very high	94.8	Very high	38 Å²	38	28.4 Å²	28.4	20%	0.203	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-36.2	-176.4	-72.4	-56.1	0	0	0	112.8	M122 N123	D81-M122 WeakPolarHBondContact OD1-CB 3.22Å; D81-M122 PolarHBondContact OD1-N 3.31Å; D81-M122 PolarHBondContact OD2-N 3.31Å; D81-N123 PolarHBondContact N-OD1 2.68Å; D81-N123 PolarHBondContact OD2-N 3.23Å
82	R	89.9	Confident	94.6	Very high	152 Å²	152	32.6 Å²	32.6	57%	0.574	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.4	23.4	174.8	-59.9	-175.9	-179.3	-162.7	-2.7	111.5	G80 K488	G80-R82 PolarHBondContact O-N 2.96Å; R82-K488 WeakPolarHBondContact O-CE 3.15Å; R82-K488 PolarHBondContact O-NZ 3.12Å
83	G	93.1	Very high	94.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-68.9	173.5	178.6	0	0	0	0	0	113.4	K76 A77 G80 L85 P86 H484	K76-G83 WeakPolarHBondContact O-CA 3.17Å; A77-G83 CarbonylContact O-C 3.43Å; A77-G83 WeakPolarHBondContact O-CA 3.19Å; G80-G83 PolarHBondContact O-N 3.26Å; G83-L85 VanDerWaalsContact C-N 3.25Å; G83-L85 PolarHBondContact O-N 2.8Å; G83-P86 WeakPolarHBondContact O-CD 3.24Å; G83-H484 PolarHBondContact O-CE1 3.26Å
84	L	93.8	Very high	94	Very high	3 Å²	3	29 Å²	29	2%	0.016	13%	0.132	C	C	.	.	S	Bend	trans	-60.1	-34.3	172.6	-68.8	177.1	0	0	0	113.1	A77 L78 L464 H484 L485 K488 L499	A77-L84 PolarHBondContact O-N 3.43Å; L78-L84 HydrophobicContact CD2-CD1 4.05Å; L78-L84 PolarHBondContact O-N 2.92Å; L78-L84 VanDerWaalsContact O-N 3.07Å; L84-L464 HydrophobicContact CD1-CD1 4.03Å; L84-H484 PolarHBondContact O-ND1 3.28Å; L84-L485 HydrophobicContact CD2-CB 3.74Å; L84-L485 HydrophobicContact CD2-CD1 3.99Å; L84-L485 HydrophobicContact CD2-CG 4.46Å; L84-K488 HydrophobicContact CD2-CD 4.05Å; L84-L499 HydrophobicContact CD1-CD1 4.22Å
85	L	94.1	Very high	93.7	Very high	19 Å²	19	31.5 Å²	31.5	10%	0.099	14%	0.143	C	C	.	.	S	Bend	trans	-135.3	76.7	-179.7	-69.2	172.1	0	0	0	109.3	L78 I79 G83 C87 Q166 I167 W481 W563	L78-L85 PolarHBondContact O-N 3.38Å; I79-L85 WeakPolarHBondContact CA-O 3.37Å; I79-L85 HydrophobicContact CG2-CB 4.42Å; G83-L85 VanDerWaalsContact C-N 3.25Å; G83-L85 PolarHBondContact O-N 2.8Å; L85-C87 PolarHBondContact O-N 3.43Å; L85-C87 VanDerWaalsContact O-N 3.14Å; L85-Q166 HydrophobicContact CD1-CB 4.47Å; L85-Q166 PolarHBondContact O-NE2 2.69Å; L85-Q166 VanDerWaalsContact O-NE2 3.1Å; L85-I167 HydrophobicContact CD1-CG2 3.45Å; L85-I167 VanDerWaalsContact CD1-CG2 3.45Å; L85-W481 HydrophobicContact CD1-CB 4.44Å; L85-W481 HydrophobicContact CD2-CB 4.16Å; L85-W481 HydrophobicContact CG-CB 4.3Å; L85-W563 HydrophobicContact CD2-CZ2 4.36Å
86	P	94.4	Very high	93.4	Very high	8 Å²	8	37.3 Å²	37.3	5%	0.052	17%	0.17	C	C	.	.			trans	-55.2	120	-171.6	-25.8	34.6	0	0	0	112.3	G80 G83 K88 L89 Y90 P564	G80-P86 WeakPolarHBondContact O-CA 3.46Å; G83-P86 WeakPolarHBondContact O-CD 3.24Å; P86-K88 VanDerWaalsContact C-N 3.26Å; P86-K88 PolarHBondContact O-N 3.35Å; P86-L89 HydrophobicContact CB-CB 4.41Å; P86-L89 PolarHBondContact O-N 2.88Å; P86-Y90 PolarHBondContact O-N 3.02Å; P86-P564 HydrophobicContact CG-CG 4.19Å
87	C	94.3	Very high	93.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-72.9	-21.9	-174.5	68.5	0	0	0	0	113.1	I79 L85 L89 Y90 L91 M122 V164	I79-C87 HydrophobicContact CB-CB 4.3Å; I79-C87 WeakPolarHBondContact O-CB 3.38Å; I79-C87 PolarHBondContact O-N 3.48Å; I79-C87 PolarHBondContact O-SG 3.07Å; L85-C87 PolarHBondContact O-N 3.43Å; L85-C87 VanDerWaalsContact O-N 3.14Å; C87-L89 VanDerWaalsContact C-N 3.32Å; C87-L89 PolarHBondContact O-N 3.03Å; C87-Y90 WeakPolarHBondContact O-CB 3.31Å; C87-Y90 PolarHBondContact O-N 2.89Å; C87-L91 WeakPolarHBondContact O-CG 3.46Å; C87-L91 PolarHBondContact O-N 3.24Å; C87-M122 WeakPolarHBondContact SG-CG 3.38Å; C87-M122 PolarHBondContact SG-SD 3.16Å; C87-V164 HydrophobicContact CB-CB 4Å; C87-V164 HydrophobicContact CB-CG2 4.34Å
88	K	94.4	Very high	92.8	Very high	61 Å²	61	44.4 Å²	44.4	27%	0.265	20%	0.196	S	C	.	.	H	α-helix	trans	-59.1	-43.3	170.1	-178.8	174.6	-175.7	162	0	111.8	P86 L91 K92 W119 M122	P86-K88 VanDerWaalsContact C-N 3.26Å; P86-K88 PolarHBondContact O-N 3.35Å; K88-L91 PolarHBondContact O-N 3.19Å; K88-K92 WeakPolarHBondContact O-CG 3.27Å; K88-K92 PolarHBondContact O-N 3.06Å; K88-W119 WeakPolarHBondContact CD-O 3.44Å; K88-W119 VanDerWaalsContact CE-O 3.28Å; K88-W119 WeakPolarHBondContact CE-O 3.29Å; K88-W119 HydrophobicContact CG-CB 4.41Å; K88-W119 PolarHBondContact NZ-O 3.33Å; K88-M122 HydrophobicContact CB-CE 4.27Å
89	L	93.4	Very high	92.1	Very high	22 Å²	22	53.2 Å²	53.2	12%	0.115	24%	0.237	C	C	.	.	H	α-helix	trans	-66.3	-43	176.8	-179.3	63.1	0	0	0	110.6	P86 C87 L91 K92 N93 R561 E562	P86-L89 HydrophobicContact CB-CB 4.41Å; P86-L89 PolarHBondContact O-N 2.88Å; C87-L89 VanDerWaalsContact C-N 3.32Å; C87-L89 PolarHBondContact O-N 3.03Å; L89-L91 PolarHBondContact O-N 3.1Å; L89-K92 PolarHBondContact O-N 3.04Å; L89-N93 PolarHBondContact O-N 3.18Å; L89-N93 PolarHBondContact O-OD1 2.99Å; L89-R561 WeakPolarHBondContact CD2-O 3.46Å; L89-E562 HydrophobicContact CD1-CB 3.87Å; L89-E562 HydrophobicContact CD2-CB 4.26Å
90	Y	93.7	Very high	90.7	Very high	49 Å²	49	55.2 Å²	55.2	19%	0.192	26%	0.257	C	S	.	.	H	α-helix	trans	-56.9	-48.7	174.8	172.1	-104.3	0	0	0	112.6	P86 C87 K92 N93 V94 A110 N163 Q166	P86-Y90 PolarHBondContact O-N 3.02Å; C87-Y90 WeakPolarHBondContact O-CB 3.31Å; C87-Y90 PolarHBondContact O-N 2.89Å; Y90-K92 PolarHBondContact O-N 3.1Å; Y90-N93 PolarHBondContact O-N 3.22Å; Y90-V94 HydrophobicContact CD2-CG2 4.42Å; Y90-V94 HydrophobicContact CE1-CG2 4.18Å; Y90-V94 HydrophobicContact CE2-CG2 3.96Å; Y90-V94 WeakPolarHBondContact O-CG2 3.42Å; Y90-V94 PolarHBondContact O-N 2.85Å; Y90-A110 HydrophobicContact CE1-CB 4.41Å; Y90-N163 WeakPolarHBondContact CE1-O 3.47Å; Y90-Q166 HydrophobicContact CD2-CG 3.89Å; Y90-Q166 HydrophobicContact CE2-CG 4.32Å; Y90-Q166 HydrophobicContact CG-CG 4.01Å
91	L	93.8	Very high	89.3	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.1	-38	179.8	-69.8	172.7	0	0	0	112.3	C87 K88 L89 V94 Q95 T112 M114 W115 W119 M122 V164	C87-L91 WeakPolarHBondContact O-CG 3.46Å; C87-L91 PolarHBondContact O-N 3.24Å; K88-L91 PolarHBondContact O-N 3.19Å; L89-L91 PolarHBondContact O-N 3.1Å; L91-V94 PolarHBondContact O-N 3.23Å; L91-Q95 WeakPolarHBondContact O-CB 3Å; L91-Q95 PolarHBondContact O-N 3.36Å; L91-T112 HydrophobicContact CD2-CG2 4.15Å; L91-M114 HydrophobicContact CD1-CB 3.94Å; L91-W115 HydrophobicContact CB-CH2 4.26Å; L91-W115 HydrophobicContact CB-CZ3 4.48Å; L91-W115 HydrophobicContact CD2-CD2 4.35Å; L91-W115 HydrophobicContact CD2-CH2 3.86Å; L91-W115 HydrophobicContact CD2-CZ2 3.53Å; L91-W115 HydrophobicContact CD2-CZ3 4.43Å; L91-W115 WeakPolarHBondContact O-CH2 3.2Å; L91-W119 HydrophobicContact CB-CE3 4.43Å; L91-W119 HydrophobicContact CB-CH2 3.52Å; L91-W119 HydrophobicContact CB-CZ2 3.8Å; L91-W119 HydrophobicContact CB-CZ3 3.86Å; L91-W119 HydrophobicContact CD1-CD2 4.42Å; L91-W119 HydrophobicContact CD1-CH2 4.44Å; L91-W119 HydrophobicContact CD1-CZ2 3.86Å; L91-W119 HydrophobicContact CG-CZ2 4.35Å; L91-M122 HydrophobicContact CD1-CE 4.4Å; L91-V164 HydrophobicContact CD1-CG1 4.39Å; L91-V164 HydrophobicContact CD2-CG1 4.09Å; L91-V164 HydrophobicContact CG-CG1 4.42Å
92	K	92.4	Very high	88	Confident	88 Å²	88	60.1 Å²	60.1	38%	0.383	29%	0.292	S	S	.	.	H	α-helix	trans	-60.9	-47.9	172	-76.9	-178.7	173.5	-168.4	0	111.9	K88 L89 Y90 V94 Q95 E96 W119	K88-K92 WeakPolarHBondContact O-CG 3.27Å; K88-K92 PolarHBondContact O-N 3.06Å; L89-K92 PolarHBondContact O-N 3.04Å; Y90-K92 PolarHBondContact O-N 3.1Å; K92-V94 VanDerWaalsContact C-N 3.27Å; K92-V94 PolarHBondContact O-N 3.03Å; K92-Q95 WeakPolarHBondContact O-CA 3.23Å; K92-Q95 WeakPolarHBondContact O-CB 3.49Å; K92-Q95 PolarHBondContact O-N 3.44Å; K92-E96 WeakPolarHBondContact O-CG 3.35Å; K92-E96 PolarHBondContact O-N 3.44Å; K92-W119 HydrophobicContact CG-CE3 4.46Å; K92-W119 HydrophobicContact CG-CZ3 4.03Å
93	N	91.6	Very high	87.4	Confident	76 Å²	76	54.3 Å²	54.3	41%	0.406	28%	0.279	S	S	.	.	H	α-helix	trans	-60.7	-38.8	179	-65.6	-3.5	0	0	0	111.6	L89 Y90 Y97	L89-N93 PolarHBondContact O-N 3.18Å; L89-N93 PolarHBondContact O-OD1 2.99Å; Y90-N93 PolarHBondContact O-N 3.22Å; N93-Y97 VanDerWaalsContact O-CB 3.3Å; N93-Y97 WeakPolarHBondContact O-CB 3.34Å; N93-Y97 PolarHBondContact O-N 3.23Å
94	V	91.6	Very high	86.9	Confident	7 Å²	7	64.7 Å²	64.7	4%	0.042	32%	0.318	C	S	.	.	H	α-helix	trans	-65.3	-43.9	173.4	173.1	0	0	0	0	111	Y90 L91 K92 Y97 F98 A106 Y109 W115	Y90-V94 HydrophobicContact CD2-CG2 4.42Å; Y90-V94 HydrophobicContact CE1-CG2 4.18Å; Y90-V94 HydrophobicContact CE2-CG2 3.96Å; Y90-V94 WeakPolarHBondContact O-CG2 3.42Å; Y90-V94 PolarHBondContact O-N 2.85Å; L91-V94 PolarHBondContact O-N 3.23Å; K92-V94 VanDerWaalsContact C-N 3.27Å; K92-V94 PolarHBondContact O-N 3.03Å; V94-Y97 PolarHBondContact O-N 3.43Å; V94-F98 HydrophobicContact CG1-CD2 4.11Å; V94-F98 HydrophobicContact CG1-CE2 4.23Å; V94-F98 VanDerWaalsContact O-CD2 3.3Å; V94-F98 WeakPolarHBondContact O-CD2 3.3Å; V94-F98 PolarHBondContact O-N 2.98Å; V94-A106 HydrophobicContact CG1-CB 4.34Å; V94-Y109 HydrophobicContact CG1-CD1 3.84Å; V94-Y109 HydrophobicContact CG1-CE1 4.47Å; V94-Y109 HydrophobicContact CG2-CD1 4.03Å; V94-Y109 HydrophobicContact CG2-CE1 3.87Å; V94-W115 HydrophobicContact CB-CH2 4.14Å; V94-W115 HydrophobicContact CB-CZ2 4.37Å; V94-W115 HydrophobicContact CG1-CH2 3.93Å; V94-W115 HydrophobicContact CG1-CZ2 3.87Å
95	Q	90.6	Very high	86.5	Confident	55 Å²	55	66.9 Å²	66.9	26%	0.257	34%	0.337	S	S	.	.	H	α-helix	trans	-61.5	-44.3	177.8	-175	-179.2	12.7	0	0	111.7	L91 K92 F98 Q99 G100 T102 W115	L91-Q95 WeakPolarHBondContact O-CB 3Å; L91-Q95 PolarHBondContact O-N 3.36Å; K92-Q95 WeakPolarHBondContact O-CA 3.23Å; K92-Q95 WeakPolarHBondContact O-CB 3.49Å; K92-Q95 PolarHBondContact O-N 3.44Å; Q95-F98 CarbonylContact O-C 3.54Å; Q95-F98 PolarHBondContact O-N 3.33Å; Q95-Q99 PolarHBondContact O-N 3.38Å; Q95-G100 PolarHBondContact NE2-O 2.97Å; Q95-G100 WeakPolarHBondContact O-CA 3.36Å; Q95-G100 PolarHBondContact O-N 2.88Å; Q95-T102 HydrophobicContact CG-CG2 4.4Å; Q95-W115 HydrophobicContact CB-CH2 4.46Å; Q95-W115 HydrophobicContact CB-CZ3 4.28Å
96	E	89.8	Confident	86	Confident	125 Å²	125	66 Å²	66	58%	0.584	33%	0.332	S	S	*	.	H	α-helix	trans	-65.5	-41.9	177.9	-73	175.5	-171.5	0	0	112	K92 F98 Q99	K92-E96 WeakPolarHBondContact O-CG 3.35Å; K92-E96 PolarHBondContact O-N 3.44Å; E96-F98 PolarHBondContact O-N 3.14Å; E96-Q99 PolarHBondContact O-N 3.38Å
97	Y	89.1	Confident	85.7	Confident	178 Å²	178	70 Å²	70	70%	0.698	35%	0.346	S	S	*	.	H	α-helix	trans	-57	-34.7	175	-178.1	-95.3	0	0	0	112.4	N93 V94	N93-Y97 VanDerWaalsContact O-CB 3.3Å; N93-Y97 WeakPolarHBondContact O-CB 3.34Å; N93-Y97 PolarHBondContact O-N 3.23Å; V94-Y97 PolarHBondContact O-N 3.43Å
98	F	88.8	Confident	85.3	Confident	51 Å²	51	73.7 Å²	73.7	22%	0.224	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	32.1	174.7	-66.3	-71.2	0	0	0	113.6	V94 Q95 E96 G100 S101 A105 A106 Y109	V94-F98 HydrophobicContact CG1-CD2 4.11Å; V94-F98 HydrophobicContact CG1-CE2 4.23Å; V94-F98 VanDerWaalsContact O-CD2 3.3Å; V94-F98 WeakPolarHBondContact O-CD2 3.3Å; V94-F98 PolarHBondContact O-N 2.98Å; Q95-F98 CarbonylContact O-C 3.54Å; Q95-F98 PolarHBondContact O-N 3.33Å; E96-F98 PolarHBondContact O-N 3.14Å; F98-G100 VanDerWaalsContact C-N 3.35Å; F98-G100 PolarHBondContact O-N 2.74Å; F98-S101 PolarHBondContact O-N 2.99Å; F98-S101 PolarHBondContact O-OG 2.97Å; F98-S101 VanDerWaalsContact O-OG 3.06Å; F98-A105 HydrophobicContact CD1-CB 3.83Å; F98-A105 HydrophobicContact CE1-CB 4.04Å; F98-A105 HydrophobicContact CG-CB 4.34Å; F98-A106 HydrophobicContact CB-CB 4.44Å; F98-A106 HydrophobicContact CD2-CB 4Å; F98-A106 HydrophobicContact CG-CB 4.47Å; F98-Y109 HydrophobicContact CE2-CD1 4.31Å; F98-Y109 HydrophobicContact CE2-CD2 4.28Å; F98-Y109 AromaticContact CE2-CG 3.84Å; F98-Y109 HydrophobicContact CE2-CG 3.84Å; F98-Y109 HydrophobicContact CZ-CD2 4.22Å; F98-Y109 HydrophobicContact CZ-CG 4.18Å
99	Q	81.7	Confident	85	Confident	186 Å²	186	77.3 Å²	77.3	87%	0.869	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	38	171.7	-58.2	178.8	-4.5	0	0	114.2	Q95 E96 S101	Q95-Q99 PolarHBondContact O-N 3.38Å; E96-Q99 PolarHBondContact O-N 3.38Å; Q99-S101 PolarHBondContact O-N 3.27Å
100	G	67.2	Low	84.9	Confident	41 Å²	41	76.3 Å²	76.3	42%	0.423	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	-11.7	174.1	0	0	0	0	0	114.8	Q95 F98 T102	Q95-G100 PolarHBondContact NE2-O 2.97Å; Q95-G100 WeakPolarHBondContact O-CA 3.36Å; Q95-G100 PolarHBondContact O-N 2.88Å; F98-G100 VanDerWaalsContact C-N 3.35Å; F98-G100 PolarHBondContact O-N 2.74Å; G100-T102 PolarHBondContact O-N 2.92Å
101	S	64.8	Low	84.8	Confident	62 Å²	62	74.3 Å²	74.3	43%	0.434	37%	0.37	S	S	.	.			trans	-78.8	117.2	178.9	70.9	0	0	0	0	110.7	F98 Q99 G103	F98-S101 PolarHBondContact O-N 2.99Å; F98-S101 PolarHBondContact O-OG 2.97Å; F98-S101 VanDerWaalsContact O-OG 3.06Å; Q99-S101 PolarHBondContact O-N 3.27Å; S101-G103 PolarHBondContact O-N 3.3Å
102	T	66.6	Low	84.9	Confident	80 Å²	80	74.5 Å²	74.5	49%	0.491	37%	0.37	S	S	.	.			trans	-70.7	35.9	160	41.2	0	0	0	0	111.2	Q95 G100 W115	Q95-T102 HydrophobicContact CG-CG2 4.4Å; G100-T102 PolarHBondContact O-N 2.92Å; T102-W115 HydrophobicContact CG2-CE3 3.78Å; T102-W115 HydrophobicContact CG2-CZ3 3.95Å
103	G	76.4	Confident	85	Confident	29 Å²	29	72.9 Å²	72.9	30%	0.299	37%	0.365	S	S	.	.	S	Bend	trans	-77.8	-175.6	-177.2	0	0	0	0	0	112.6	S101 A105 A106 W107	S101-G103 PolarHBondContact O-N 3.3Å; G103-A105 PolarHBondContact O-N 3.43Å; G103-A105 VanDerWaalsContact O-N 3.12Å; G103-A106 PolarHBondContact O-N 2.9Å; G103-W107 PolarHBondContact O-N 2.96Å
104	W	81.7	Confident	85.1	Confident	219 Å²	219	69.2 Å²	69.2	83%	0.83	35%	0.346	S	S	*	.	H	α-helix	trans	-55.4	-30.5	-179.3	-76.6	101.6	0	0	0	114.3	T108	W104-T108 VanDerWaalsContact O-CB 3.31Å; W104-T108 WeakPolarHBondContact O-CB 3.39Å; W104-T108 PolarHBondContact O-N 3.13Å; W104-T108 PolarHBondContact O-OG1 2.6Å
105	A	85.3	Confident	85.2	Confident	49 Å²	49	70 Å²	70	41%	0.405	35%	0.348	S	S	.	.	H	α-helix	trans	-67	-49.1	179.6	0	0	0	0	0	112.6	F98 G103 W107 T108 Y109	F98-A105 HydrophobicContact CD1-CB 3.83Å; F98-A105 HydrophobicContact CE1-CB 4.04Å; F98-A105 HydrophobicContact CG-CB 4.34Å; G103-A105 PolarHBondContact O-N 3.43Å; G103-A105 VanDerWaalsContact O-N 3.12Å; A105-W107 VanDerWaalsContact C-N 3.32Å; A105-W107 PolarHBondContact O-N 2.74Å; A105-T108 PolarHBondContact O-N 2.85Å; A105-Y109 PolarHBondContact O-N 2.91Å
106	A	85.4	Confident	85.3	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-62.5	-41.1	176.7	0	0	0	0	0	111.6	V94 F98 G103 Y109 A110 W115	V94-A106 HydrophobicContact CG1-CB 4.34Å; F98-A106 HydrophobicContact CB-CB 4.44Å; F98-A106 HydrophobicContact CD2-CB 4Å; F98-A106 HydrophobicContact CG-CB 4.47Å; G103-A106 PolarHBondContact O-N 2.9Å; A106-Y109 PolarHBondContact O-N 3.39Å; A106-A110 PolarHBondContact O-N 3.31Å; A106-W115 HydrophobicContact CB-CH2 4.41Å; A106-W115 HydrophobicContact CB-CZ2 4.4Å
107	W	86.7	Confident	85.5	Confident	92 Å²	92	70.2 Å²	70.2	35%	0.348	35%	0.354	S	S	.	.	H	α-helix	trans	-64.3	-39.8	176.3	-122	74.2	0	0	0	112.9	G103 A105 Y109 A110 P111 W115 L116	G103-W107 PolarHBondContact O-N 2.96Å; A105-W107 VanDerWaalsContact C-N 3.32Å; A105-W107 PolarHBondContact O-N 2.74Å; W107-Y109 VanDerWaalsContact C-N 3.31Å; W107-A110 CarbonylContact O-C 3.6Å; W107-A110 VanDerWaalsContact O-C 3.3Å; W107-P111 WeakPolarHBondContact O-CA 3.25Å; W107-P111 VanDerWaalsContact O-N 3.07Å; W107-W115 AromaticContact CD1-CD1 3.32Å; W107-W115 AromaticContact CD1-CG 3.59Å; W107-W115 VanDerWaalsContact NE1-CB 3.27Å; W107-W115 AromaticContact NE1-CD1 3.31Å; W107-W115 VanDerWaalsContact NE1-CD1 3.31Å; W107-W115 AromaticContact NE1-CG 3.5Å; W107-L116 HydrophobicContact CZ2-CD1 4.4Å; W107-L116 HydrophobicContact CZ2-CG 4.45Å
108	T	86.9	Confident	85.6	Confident	78 Å²	78	67.1 Å²	67.1	48%	0.479	35%	0.35	S	S	.	.	H	α-helix	trans	-70.7	-30.9	177.2	-55.2	0	0	0	0	111.2	W104 A105 P401	W104-T108 VanDerWaalsContact O-CB 3.31Å; W104-T108 WeakPolarHBondContact O-CB 3.39Å; W104-T108 PolarHBondContact O-N 3.13Å; W104-T108 PolarHBondContact O-OG1 2.6Å; A105-T108 PolarHBondContact O-N 2.85Å; T108-P401 HydrophobicContact CG2-CG 3.92Å; T108-P401 WeakPolarHBondContact O-CB 3.39Å; T108-P401 WeakPolarHBondContact O-CG 3.38Å
109	Y	87.8	Confident	85.8	Confident	137 Å²	137	66.4 Å²	66.4	54%	0.537	35%	0.346	S	S	.	.	H	α-helix	trans	-71.6	-47.3	175.7	-176.5	-95.6	0	0	0	112.2	V94 F98 A105 A106 W107	V94-Y109 HydrophobicContact CG1-CD1 3.84Å; V94-Y109 HydrophobicContact CG1-CE1 4.47Å; V94-Y109 HydrophobicContact CG2-CD1 4.03Å; V94-Y109 HydrophobicContact CG2-CE1 3.87Å; F98-Y109 HydrophobicContact CE2-CD1 4.31Å; F98-Y109 HydrophobicContact CE2-CD2 4.28Å; F98-Y109 AromaticContact CE2-CG 3.84Å; F98-Y109 HydrophobicContact CE2-CG 3.84Å; F98-Y109 HydrophobicContact CZ-CD2 4.22Å; F98-Y109 HydrophobicContact CZ-CG 4.18Å; A105-Y109 PolarHBondContact O-N 2.91Å; A106-Y109 PolarHBondContact O-N 3.39Å; W107-Y109 VanDerWaalsContact C-N 3.31Å
110	A	90.6	Very high	86.3	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	-129.3	82.3	179.5	0	0	0	0	0	110.4	Y90 A106 W107 T112 W115	Y90-A110 HydrophobicContact CE1-CB 4.41Å; A106-A110 PolarHBondContact O-N 3.31Å; W107-A110 CarbonylContact O-C 3.6Å; W107-A110 VanDerWaalsContact O-C 3.3Å; A110-T112 PolarHBondContact O-N 3.3Å; A110-T112 VanDerWaalsContact O-N 3.07Å; A110-W115 HydrophobicContact CB-CZ2 4.4Å; A110-W115 PolarHBondContact O-NE1 3.23Å
111	P	93.2	Very high	87.6	Confident	8 Å²	8	63 Å²	63	5%	0.052	33%	0.329	C	S	.	.			trans	-70.4	109.3	-178.4	20.5	-24.7	0	0	0	110.4	W107 M159 N163 P401 L402	W107-P111 WeakPolarHBondContact O-CA 3.25Å; W107-P111 VanDerWaalsContact O-N 3.07Å; P111-M159 HydrophobicContact CB-SD 4Å; P111-M159 HydrophobicContact CG-SD 4.13Å; P111-N163 WeakPolarHBondContact CD-ND2 3.44Å; P111-N163 WeakPolarHBondContact CG-ND2 3.34Å; P111-N163 PolarHBondContact O-ND2 3.35Å; P111-P401 HydrophobicContact CG-CB 4.16Å; P111-L402 HydrophobicContact CB-CD2 4.19Å; P111-L402 HydrophobicContact CG-CD2 4.19Å
112	T	94.8	Very high	89	Confident	3 Å²	3	60 Å²	60	2%	0.018	31%	0.309	C	S	.	.			trans	-151.3	145.2	-179.2	-179.1	0	0	0	0	111.3	L91 A110 M114 W115 S160 V164	L91-T112 HydrophobicContact CD2-CG2 4.15Å; A110-T112 PolarHBondContact O-N 3.3Å; A110-T112 VanDerWaalsContact O-N 3.07Å; T112-M114 HydrophobicContact CG2-CB 3.9Å; T112-M114 PolarHBondContact O-N 2.82Å; T112-M114 WeakPolarHBondContact OG1-CB 3.38Å; T112-M114 WeakPolarHBondContact OG1-CG 3.34Å; T112-M114 PolarHBondContact OG1-N 3.41Å; T112-W115 HydrophobicContact CG2-CG 4.15Å; T112-W115 VanDerWaalsContact O-CD1 3.25Å; T112-S160 VanDerWaalsContact OG1-CA 3.27Å; T112-S160 WeakPolarHBondContact OG1-CA 3.39Å; T112-S160 VanDerWaalsContact OG1-CB 3.22Å; T112-S160 WeakPolarHBondContact OG1-CB 3.22Å; T112-S160 PolarHBondContact OG1-O 3.06Å; T112-V164 HydrophobicContact CG2-CG1 3.86Å
113	I	94.8	Very high	90.4	Very high	54 Å²	54	57.5 Å²	57.5	28%	0.277	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-67.6	-19.1	172.7	-61.6	168.9	0	0	0	110.5	W115 L116 A156 L157 S160	I113-W115 PolarHBondContact O-N 3.34Å; I113-W115 VanDerWaalsContact O-N 3.08Å; I113-L116 WeakPolarHBondContact O-CB 3.23Å; I113-L116 PolarHBondContact O-N 3.48Å; I113-A156 HydrophobicContact CD1-CB 4Å; I113-L157 HydrophobicContact CD1-CD2 4.39Å; I113-S160 WeakPolarHBondContact CG1-OG 3.43Å; I113-S160 PolarHBondContact N-OG 3.18Å
114	M	93.9	Very high	91.4	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-56.9	-27	179.2	-66.5	-61.8	-158.1	0	0	113.4	L91 T112 L116 L117 W119 M122 N125 L126 I129 V164	L91-M114 HydrophobicContact CD1-CB 3.94Å; T112-M114 HydrophobicContact CG2-CB 3.9Å; T112-M114 PolarHBondContact O-N 2.82Å; T112-M114 WeakPolarHBondContact OG1-CB 3.38Å; T112-M114 WeakPolarHBondContact OG1-CG 3.34Å; T112-M114 PolarHBondContact OG1-N 3.41Å; M114-L116 PolarHBondContact O-N 2.89Å; M114-L117 PolarHBondContact O-N 2.77Å; M114-L117 HydrophobicContact SD-CD1 3.89Å; M114-W119 PolarHBondContact O-NE1 2.93Å; M114-M122 HydrophobicContact CE-SD 3.94Å; M114-M122 HydrophobicContact SD-SD 4.12Å; M114-N125 HydrophobicContact CE-CB 3.96Å; M114-N125 HydrophobicContact SD-CB 3.87Å; M114-L126 HydrophobicContact CE-CD2 3.57Å; M114-L126 HydrophobicContact CE-CG 3.98Å; M114-I129 HydrophobicContact CE-CD1 3.49Å; M114-I129 VanDerWaalsContact CE-CD1 3.49Å; M114-I129 HydrophobicContact CG-CD1 4.37Å; M114-I129 HydrophobicContact SD-CD1 3.68Å; M114-V164 HydrophobicContact CB-CG1 4.49Å; M114-V164 HydrophobicContact CG-CG1 4.18Å
115	W	93.1	Very high	92.1	Very high	24 Å²	24	51.9 Å²	51.9	9%	0.091	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-62.6	-20.8	173.9	-66.2	116.2	0	0	0	113.9	L91 V94 Q95 T102 A106 W107 A110 T112 I113 W119	L91-W115 HydrophobicContact CB-CH2 4.26Å; L91-W115 HydrophobicContact CB-CZ3 4.48Å; L91-W115 HydrophobicContact CD2-CD2 4.35Å; L91-W115 HydrophobicContact CD2-CH2 3.86Å; L91-W115 HydrophobicContact CD2-CZ2 3.53Å; L91-W115 HydrophobicContact CD2-CZ3 4.43Å; L91-W115 WeakPolarHBondContact O-CH2 3.2Å; V94-W115 HydrophobicContact CB-CH2 4.14Å; V94-W115 HydrophobicContact CB-CZ2 4.37Å; V94-W115 HydrophobicContact CG1-CH2 3.93Å; V94-W115 HydrophobicContact CG1-CZ2 3.87Å; Q95-W115 HydrophobicContact CB-CH2 4.46Å; Q95-W115 HydrophobicContact CB-CZ3 4.28Å; T102-W115 HydrophobicContact CG2-CE3 3.78Å; T102-W115 HydrophobicContact CG2-CZ3 3.95Å; A106-W115 HydrophobicContact CB-CH2 4.41Å; A106-W115 HydrophobicContact CB-CZ2 4.4Å; W107-W115 AromaticContact CD1-CD1 3.32Å; W107-W115 AromaticContact CD1-CG 3.59Å; W107-W115 VanDerWaalsContact NE1-CB 3.27Å; W107-W115 AromaticContact NE1-CD1 3.31Å; W107-W115 VanDerWaalsContact NE1-CD1 3.31Å; W107-W115 AromaticContact NE1-CG 3.5Å; A110-W115 HydrophobicContact CB-CZ2 4.4Å; A110-W115 PolarHBondContact O-NE1 3.23Å; T112-W115 HydrophobicContact CG2-CG 4.15Å; T112-W115 VanDerWaalsContact O-CD1 3.25Å; I113-W115 PolarHBondContact O-N 3.34Å; I113-W115 VanDerWaalsContact O-N 3.08Å; W115-W119 HydrophobicContact CD2-CZ2 4.38Å; W115-W119 AromaticContact CE3-CH2 3.84Å; W115-W119 HydrophobicContact CE3-CH2 3.84Å; W115-W119 AromaticContact CE3-CZ2 3.5Å; W115-W119 HydrophobicContact CE3-CZ2 3.5Å; W115-W119 VanDerWaalsContact CE3-CZ2 3.5Å; W115-W119 HydrophobicContact CH2-CH2 4.37Å; W115-W119 AromaticContact CZ3-CH2 3.49Å; W115-W119 HydrophobicContact CZ3-CH2 3.49Å; W115-W119 VanDerWaalsContact CZ3-CH2 3.49Å; W115-W119 AromaticContact CZ3-CZ2 3.67Å; W115-W119 HydrophobicContact CZ3-CZ2 3.67Å
116	L	92.6	Very high	92.7	Very high	129 Å²	129	49.6 Å²	49.6	68%	0.675	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-96.8	-5.8	-179.1	-53.7	177.7	0	0	0	112.7	W107 I113 M114	W107-L116 HydrophobicContact CZ2-CD1 4.4Å; W107-L116 HydrophobicContact CZ2-CG 4.45Å; I113-L116 WeakPolarHBondContact O-CB 3.23Å; I113-L116 PolarHBondContact O-N 3.48Å; M114-L116 PolarHBondContact O-N 2.89Å
117	L	93.6	Very high	93.3	Very high	55 Å²	55	50.9 Å²	50.9	29%	0.288	25%	0.254	S	S	.	.	S	Bend	trans	-103.5	156.3	-177.8	-58.8	179.5	0	0	0	110.3	M114 W119 N125	M114-L117 PolarHBondContact O-N 2.77Å; M114-L117 HydrophobicContact SD-CD1 3.89Å; L117-W119 PolarHBondContact O-NE1 3.01Å; L117-N125 HydrophobicContact CD1-CB 4.2Å
118	D	91.9	Very high	93.8	Very high	113 Å²	113	49.6 Å²	49.6	60%	0.604	25%	0.254	S	S	*	.			trans	-72.3	136.1	169.7	-179.2	26.1	0	0	0	110.4	S120 N125	D118-S120 PolarHBondContact OD1-N 2.95Å; D118-S120 WeakPolarHBondContact OD2-CB 3.22Å; D118-S120 PolarHBondContact OD2-OG 3.45Å; D118-N125 PolarHBondContact O-ND2 2.83Å
119	W	93.4	Very high	94.3	Very high	36 Å²	36	46 Å²	46	14%	0.136	23%	0.232	C	C	.	.	S	Bend	trans	-96.8	15.6	-177.5	-55.9	-9.5	0	0	0	112.7	K88 L91 K92 M114 W115 L117 M122	K88-W119 WeakPolarHBondContact CD-O 3.44Å; K88-W119 VanDerWaalsContact CE-O 3.28Å; K88-W119 WeakPolarHBondContact CE-O 3.29Å; K88-W119 HydrophobicContact CG-CB 4.41Å; K88-W119 PolarHBondContact NZ-O 3.33Å; L91-W119 HydrophobicContact CB-CE3 4.43Å; L91-W119 HydrophobicContact CB-CH2 3.52Å; L91-W119 HydrophobicContact CB-CZ2 3.8Å; L91-W119 HydrophobicContact CB-CZ3 3.86Å; L91-W119 HydrophobicContact CD1-CD2 4.42Å; L91-W119 HydrophobicContact CD1-CH2 4.44Å; L91-W119 HydrophobicContact CD1-CZ2 3.86Å; L91-W119 HydrophobicContact CG-CZ2 4.35Å; K92-W119 HydrophobicContact CG-CE3 4.46Å; K92-W119 HydrophobicContact CG-CZ3 4.03Å; M114-W119 PolarHBondContact O-NE1 2.93Å; W115-W119 HydrophobicContact CD2-CZ2 4.38Å; W115-W119 AromaticContact CE3-CH2 3.84Å; W115-W119 HydrophobicContact CE3-CH2 3.84Å; W115-W119 AromaticContact CE3-CZ2 3.5Å; W115-W119 HydrophobicContact CE3-CZ2 3.5Å; W115-W119 VanDerWaalsContact CE3-CZ2 3.5Å; W115-W119 HydrophobicContact CH2-CH2 4.37Å; W115-W119 AromaticContact CZ3-CH2 3.49Å; W115-W119 HydrophobicContact CZ3-CH2 3.49Å; W115-W119 VanDerWaalsContact CZ3-CH2 3.49Å; W115-W119 AromaticContact CZ3-CZ2 3.67Å; W115-W119 HydrophobicContact CZ3-CZ2 3.67Å; L117-W119 PolarHBondContact O-NE1 3.01Å; W119-M122 HydrophobicContact CB-CE 3.95Å; W119-M122 HydrophobicContact CG-CE 3.9Å
120	S	92.1	Very high	94.8	Very high	79 Å²	79	39.5 Å²	39.5	55%	0.552	21%	0.206	S	C	*	.	S	Bend	trans	-63.6	-43.4	176.4	59.6	0	0	0	0	112	D118	D118-S120 PolarHBondContact OD1-N 2.95Å; D118-S120 WeakPolarHBondContact OD2-CB 3.22Å; D118-S120 PolarHBondContact OD2-OG 3.45Å
121	D	94.4	Very high	95.2	Very high	75 Å²	75	43.7 Å²	43.7	40%	0.401	23%	0.228	S	C	.	.			trans	-126.1	93.7	176.7	-172.4	-19	0	0	0	110.3	N123 F124 N125	D121-N123 WeakPolarHBondContact OD1-CB 3.42Å; D121-N123 PolarHBondContact OD1-N 3.1Å; D121-F124 HydrophobicContact CB-CB 4.15Å; D121-F124 VanDerWaalsContact CG-CB 3.48Å; D121-F124 WeakPolarHBondContact OD1-CB 3.33Å; D121-F124 PolarHBondContact OD1-N 3.18Å; D121-N125 PolarHBondContact O-N 2.85Å; D121-N125 PolarHBondContact O-ND2 2.87Å
122	M	94.5	Very high	95.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-75.8	-29.4	-179.8	-167.3	56.3	66.2	0	0	112	D81 C87 K88 L91 M114 W119 F124 N125 L126	D81-M122 WeakPolarHBondContact OD1-CB 3.22Å; D81-M122 PolarHBondContact OD1-N 3.31Å; D81-M122 PolarHBondContact OD2-N 3.31Å; C87-M122 WeakPolarHBondContact SG-CG 3.38Å; C87-M122 PolarHBondContact SG-SD 3.16Å; K88-M122 HydrophobicContact CB-CE 4.27Å; L91-M122 HydrophobicContact CD1-CE 4.4Å; M114-M122 HydrophobicContact CE-SD 3.94Å; M114-M122 HydrophobicContact SD-SD 4.12Å; W119-M122 HydrophobicContact CB-CE 3.95Å; W119-M122 HydrophobicContact CG-CE 3.9Å; M122-F124 VanDerWaalsContact C-N 3.34Å; M122-F124 PolarHBondContact O-N 3.08Å; M122-N125 PolarHBondContact O-N 2.99Å; M122-N125 HydrophobicContact SD-CB 4.26Å; M122-L126 HydrophobicContact CG-CD1 4.12Å; M122-L126 HydrophobicContact CG-CG 4.34Å; M122-L126 WeakPolarHBondContact O-CB 3.19Å; M122-L126 VanDerWaalsContact O-CG 3.28Å; M122-L126 WeakPolarHBondContact O-CG 3.47Å; M122-L126 PolarHBondContact O-N 2.74Å
123	N	95.8	Very high	95.7	Very high	28 Å²	28	47.2 Å²	47.2	15%	0.15	25%	0.246	C	C	.	.	H	α-helix	trans	-60.3	-45	175.6	-75.1	-6.6	0	0	0	111.2	K76 G80 D81 D121 L126 D127	K76-N123 HydrophobicContact CD-CB 4.45Å; K76-N123 HydrophobicContact CG-CB 4.41Å; G80-N123 WeakPolarHBondContact CA-OD1 3.29Å; D81-N123 PolarHBondContact N-OD1 2.68Å; D81-N123 PolarHBondContact OD2-N 3.23Å; D121-N123 WeakPolarHBondContact OD1-CB 3.42Å; D121-N123 PolarHBondContact OD1-N 3.1Å; N123-L126 PolarHBondContact O-N 3.09Å; N123-D127 PolarHBondContact O-N 2.87Å; N123-D127 VanDerWaalsContact O-N 3.07Å
124	F	96.8	Very high	95.8	Very high	119 Å²	119	45.7 Å²	45.7	52%	0.522	24%	0.238	S	C	.	.	H	α-helix	trans	-61.6	-45.7	174.7	177.2	-97.9	0	0	0	112.1	D121 M122 L126 D127 L128	D121-F124 HydrophobicContact CB-CB 4.15Å; D121-F124 VanDerWaalsContact CG-CB 3.48Å; D121-F124 WeakPolarHBondContact OD1-CB 3.33Å; D121-F124 PolarHBondContact OD1-N 3.18Å; M122-F124 VanDerWaalsContact C-N 3.34Å; M122-F124 PolarHBondContact O-N 3.08Å; F124-L126 PolarHBondContact O-N 3.29Å; F124-D127 PolarHBondContact O-N 3.46Å; F124-L128 HydrophobicContact CE1-CD2 4.03Å; F124-L128 HydrophobicContact CZ-CD2 4.44Å; F124-L128 VanDerWaalsContact O-CB 3.29Å; F124-L128 WeakPolarHBondContact O-CB 3.3Å; F124-L128 PolarHBondContact O-N 3.41Å
125	N	97.4	Very high	96.1	Very high	11 Å²	11	47.8 Å²	47.8	6%	0.059	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-42.8	179.5	-70.9	-28.5	0	0	0	112.5	M114 L117 D118 D121 M122 L128 I129	M114-N125 HydrophobicContact CE-CB 3.96Å; M114-N125 HydrophobicContact SD-CB 3.87Å; L117-N125 HydrophobicContact CD1-CB 4.2Å; D118-N125 PolarHBondContact O-ND2 2.83Å; D121-N125 PolarHBondContact O-N 2.85Å; D121-N125 PolarHBondContact O-ND2 2.87Å; M122-N125 PolarHBondContact O-N 2.99Å; M122-N125 HydrophobicContact SD-CB 4.26Å; N125-L128 PolarHBondContact O-N 3.02Å; N125-I129 WeakPolarHBondContact O-CG1 3.39Å; N125-I129 PolarHBondContact O-N 2.99Å
126	L	97.3	Very high	96.3	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-43.7	177.8	-71.1	168	0	0	0	111.4	N75 I79 M114 M122 N123 F124 A130 L161	N75-L126 HydrophobicContact CB-CD1 4.38Å; N75-L126 HydrophobicContact CB-CD2 4.49Å; I79-L126 HydrophobicContact CD1-CD2 3.9Å; I79-L126 HydrophobicContact CG1-CD1 3.97Å; I79-L126 HydrophobicContact CG1-CD2 4.26Å; M114-L126 HydrophobicContact CE-CD2 3.57Å; M114-L126 HydrophobicContact CE-CG 3.98Å; M122-L126 HydrophobicContact CG-CD1 4.12Å; M122-L126 HydrophobicContact CG-CG 4.34Å; M122-L126 WeakPolarHBondContact O-CB 3.19Å; M122-L126 VanDerWaalsContact O-CG 3.28Å; M122-L126 WeakPolarHBondContact O-CG 3.47Å; M122-L126 PolarHBondContact O-N 2.74Å; N123-L126 PolarHBondContact O-N 3.09Å; F124-L126 PolarHBondContact O-N 3.29Å; L126-A130 WeakPolarHBondContact O-CB 3.41Å; L126-A130 PolarHBondContact O-N 2.85Å; L126-L161 HydrophobicContact CD2-CD2 3.92Å
127	D	97.5	Very high	96.6	Very high	26 Å²	26	42 Å²	42	14%	0.139	23%	0.231	C	C	.	.	H	α-helix	trans	-63.1	-45.3	174.9	-85.7	4.6	0	0	0	112.1	F72 K76 N123 F124 I129 A130 L131	F72-D127 HydrophobicContact CE2-CB 4.37Å; K76-D127 WeakPolarHBondContact CE-OD1 3.44Å; K76-D127 WeakPolarHBondContact CE-OD2 3.43Å; K76-D127 IonicContact NZ-OD1 2.73Å; K76-D127 IonicContact NZ-OD2 3.58Å; K76-D127 PolarHBondContact NZ-OD2 3.31Å; N123-D127 PolarHBondContact O-N 2.87Å; N123-D127 VanDerWaalsContact O-N 3.07Å; F124-D127 PolarHBondContact O-N 3.46Å; D127-I129 PolarHBondContact O-N 3.14Å; D127-A130 PolarHBondContact O-N 3.38Å; D127-L131 VanDerWaalsContact O-CB 3.27Å; D127-L131 WeakPolarHBondContact O-CB 3.45Å; D127-L131 VanDerWaalsContact O-CG 3.26Å; D127-L131 WeakPolarHBondContact O-CG 3.45Å; D127-L131 PolarHBondContact O-N 2.91Å
128	L	97.8	Very high	96.8	Very high	65 Å²	65	41.2 Å²	41.2	34%	0.34	23%	0.23	S	C	.	.	H	α-helix	trans	-59	-48.3	179.5	179.2	62.4	0	0	0	110.7	F124 N125 A130 L131 L132	F124-L128 HydrophobicContact CE1-CD2 4.03Å; F124-L128 HydrophobicContact CZ-CD2 4.44Å; F124-L128 VanDerWaalsContact O-CB 3.29Å; F124-L128 WeakPolarHBondContact O-CB 3.3Å; F124-L128 PolarHBondContact O-N 3.41Å; N125-L128 PolarHBondContact O-N 3.02Å; L128-A130 PolarHBondContact O-N 3.15Å; L128-L131 PolarHBondContact O-N 3.46Å; L128-L132 HydrophobicContact CD1-CD1 3.94Å; L128-L132 HydrophobicContact CD1-CG 4.07Å; L128-L132 HydrophobicContact CG-CD1 3.99Å; L128-L132 HydrophobicContact CG-CG 4.48Å; L128-L132 VanDerWaalsContact O-CB 3.31Å; L128-L132 WeakPolarHBondContact O-CB 3.49Å; L128-L132 WeakPolarHBondContact O-CG 3.42Å; L128-L132 PolarHBondContact O-N 3.05Å
129	I	98.2	Very high	97.1	Very high	4 Å²	4	40 Å²	40	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-61.6	-44.5	177.3	-70.9	177	0	0	0	111	F68 M114 N125 D127 G133 L157 L161	F68-I129 HydrophobicContact CE1-CG2 4.47Å; M114-I129 HydrophobicContact CE-CD1 3.49Å; M114-I129 VanDerWaalsContact CE-CD1 3.49Å; M114-I129 HydrophobicContact CG-CD1 4.37Å; M114-I129 HydrophobicContact SD-CD1 3.68Å; N125-I129 WeakPolarHBondContact O-CG1 3.39Å; N125-I129 PolarHBondContact O-N 2.99Å; D127-I129 PolarHBondContact O-N 3.14Å; I129-G133 PolarHBondContact O-N 3.25Å; I129-L157 HydrophobicContact CB-CD2 4.32Å; I129-L157 HydrophobicContact CG1-CD2 4.12Å; I129-L157 HydrophobicContact CG2-CB 4.08Å; I129-L157 HydrophobicContact CG2-CD2 3.97Å; I129-L157 WeakPolarHBondContact CG2-O 3.27Å; I129-L161 HydrophobicContact CB-CD2 4.38Å; I129-L161 HydrophobicContact CG2-CD1 4.1Å; I129-L161 HydrophobicContact CG2-CD2 3.76Å; I129-L161 HydrophobicContact CG2-CG 3.76Å
130	A	98.2	Very high	97.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67	-43.3	-179.4	0	0	0	0	0	112.4	A71 F72 L126 D127 L128 G133 L134	A71-A130 HydrophobicContact CB-CB 4.37Å; F72-A130 HydrophobicContact CB-CB 3.83Å; F72-A130 HydrophobicContact CD2-CB 4.29Å; L126-A130 WeakPolarHBondContact O-CB 3.41Å; L126-A130 PolarHBondContact O-N 2.85Å; D127-A130 PolarHBondContact O-N 3.38Å; L128-A130 PolarHBondContact O-N 3.15Å; A130-G133 PolarHBondContact O-N 3.43Å; A130-L134 WeakPolarHBondContact O-CB 3.42Å; A130-L134 WeakPolarHBondContact O-CG 3.25Å; A130-L134 PolarHBondContact O-N 3.41Å
131	L	98.5	Very high	97.5	Very high	88 Å²	88	37 Å²	37	46%	0.461	20%	0.2	S	C	.	.	H	α-helix	trans	-68.6	-40.6	178.5	-72.1	172.9	0	0	0	112.4	F72 D127 L128 G133 L134 G135	F72-L131 HydrophobicContact CD2-CD2 3.94Å; F72-L131 HydrophobicContact CD2-CG 3.89Å; F72-L131 HydrophobicContact CE2-CD1 3.92Å; F72-L131 HydrophobicContact CE2-CD2 3.66Å; F72-L131 HydrophobicContact CE2-CG 3.68Å; F72-L131 HydrophobicContact CZ-CD2 4.02Å; F72-L131 HydrophobicContact CZ-CG 4.49Å; D127-L131 VanDerWaalsContact O-CB 3.27Å; D127-L131 WeakPolarHBondContact O-CB 3.45Å; D127-L131 VanDerWaalsContact O-CG 3.26Å; D127-L131 WeakPolarHBondContact O-CG 3.45Å; D127-L131 PolarHBondContact O-N 2.91Å; L128-L131 PolarHBondContact O-N 3.46Å; L131-G133 VanDerWaalsContact C-N 3.33Å; L131-L134 HydrophobicContact CD2-CD1 4.28Å; L131-L134 PolarHBondContact O-N 3.35Å; L131-G135 PolarHBondContact O-N 2.87Å
132	L	98.6	Very high	97.6	Very high	85 Å²	85	38.7 Å²	38.7	45%	0.445	21%	0.213	S	C	.	.	H	α-helix	trans	-62.1	-43.8	172.4	-72.4	174.7	0	0	0	110.9	L128 G135 I136 L157	L128-L132 HydrophobicContact CD1-CD1 3.94Å; L128-L132 HydrophobicContact CD1-CG 4.07Å; L128-L132 HydrophobicContact CG-CD1 3.99Å; L128-L132 HydrophobicContact CG-CG 4.48Å; L128-L132 VanDerWaalsContact O-CB 3.31Å; L128-L132 WeakPolarHBondContact O-CB 3.49Å; L128-L132 WeakPolarHBondContact O-CG 3.42Å; L128-L132 PolarHBondContact O-N 3.05Å; L132-G135 PolarHBondContact O-N 3.4Å; L132-I136 VanDerWaalsContact O-CG1 3.3Å; L132-I136 WeakPolarHBondContact O-CG1 3.4Å; L132-I136 PolarHBondContact O-N 3.36Å; L132-L157 HydrophobicContact CB-CD1 3.91Å
133	G	98.6	Very high	97.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.6	-44.7	174.5	0	0	0	0	0	112.6	F68 I129 A130 L131 S137 L154	F68-G133 VanDerWaalsContact CD2-C 3.48Å; F68-G133 VanDerWaalsContact CD2-CA 3.47Å; I129-G133 PolarHBondContact O-N 3.25Å; A130-G133 PolarHBondContact O-N 3.43Å; L131-G133 VanDerWaalsContact C-N 3.33Å; G133-S137 VanDerWaalsContact O-CB 3.23Å; G133-S137 WeakPolarHBondContact O-CB 3.26Å; G133-S137 PolarHBondContact O-N 2.91Å; G133-S137 PolarHBondContact O-OG 2.94Å; G133-L154 WeakPolarHBondContact O-CD2 3.42Å
134	L	98.5	Very high	97.2	Very high	21 Å²	21	39.6 Å²	39.6	11%	0.11	22%	0.22	C	C	.	.	H	α-helix	trans	-60.8	-46	174	-79.9	168.9	0	0	0	112.1	F65 F68 L69 F72 A130 L131 S137 S138	F65-L134 HydrophobicContact CD2-CD2 3.59Å; F65-L134 HydrophobicContact CE2-CD2 3.66Å; F65-L134 HydrophobicContact CG-CD2 4.24Å; F65-L134 HydrophobicContact CZ-CD2 4.34Å; F65-L134 WeakPolarHBondContact O-CD2 3.36Å; F68-L134 HydrophobicContact CB-CD2 4.15Å; F68-L134 HydrophobicContact CB-CG 3.85Å; L69-L134 HydrophobicContact CB-CD2 3.97Å; F72-L134 HydrophobicContact CB-CD1 4.19Å; F72-L134 HydrophobicContact CG-CD1 4.41Å; A130-L134 WeakPolarHBondContact O-CB 3.42Å; A130-L134 WeakPolarHBondContact O-CG 3.25Å; A130-L134 PolarHBondContact O-N 3.41Å; L131-L134 HydrophobicContact CD2-CD1 4.28Å; L131-L134 PolarHBondContact O-N 3.35Å; L134-S137 WeakPolarHBondContact CA-OG 3.46Å; L134-S137 PolarHBondContact O-OG 3.03Å; L134-S137 VanDerWaalsContact O-OG 3.08Å; L134-S138 WeakPolarHBondContact O-CB 3.35Å; L134-S138 PolarHBondContact O-N 3.06Å; L134-S138 PolarHBondContact O-OG 3.49Å
135	G	98.6	Very high	97	Very high	44 Å²	44	34.9 Å²	34.9	45%	0.454	20%	0.202	S	C	.	.	H	α-helix	trans	-62.8	-50	-179.8	0	0	0	0	0	112.3	L131 L132 S138 F139	L131-G135 PolarHBondContact O-N 2.87Å; L132-G135 PolarHBondContact O-N 3.4Å; G135-S138 PolarHBondContact O-N 3.27Å; G135-F139 WeakPolarHBondContact O-CB 3.35Å; G135-F139 PolarHBondContact O-N 3.17Å
136	I	98.4	Very high	96.9	Very high	32 Å²	32	34.5 Å²	34.5	16%	0.164	20%	0.199	C	C	.	.	H	α-helix	trans	-66.3	-43.8	-179.2	-60.9	166.1	0	0	0	110.8	L132 F139 V140 L150 A153 L154 L157	L132-I136 VanDerWaalsContact O-CG1 3.3Å; L132-I136 WeakPolarHBondContact O-CG1 3.4Å; L132-I136 PolarHBondContact O-N 3.36Å; I136-F139 PolarHBondContact O-N 2.96Å; I136-V140 WeakPolarHBondContact O-CG2 3.49Å; I136-V140 PolarHBondContact O-N 3.32Å; I136-L150 HydrophobicContact CG2-CB 4.03Å; I136-L150 HydrophobicContact CG2-CD2 4.07Å; I136-A153 HydrophobicContact CD1-CB 3.96Å; I136-L154 HydrophobicContact CB-CD2 3.82Å; I136-L154 HydrophobicContact CB-CG 4.09Å; I136-L154 HydrophobicContact CG2-CD1 3.91Å; I136-L154 HydrophobicContact CG2-CD2 3.91Å; I136-L154 HydrophobicContact CG2-CG 3.59Å; I136-L157 HydrophobicContact CD1-CD1 4.12Å
137	S	98.5	Very high	96.8	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66	-41.1	179.6	57.1	0	0	0	0	111.9	A61 F65 G133 L134 F139 V140 L141	A61-S137 WeakPolarHBondContact O-CB 3.34Å; F65-S137 WeakPolarHBondContact CA-OG 3.28Å; G133-S137 VanDerWaalsContact O-CB 3.23Å; G133-S137 WeakPolarHBondContact O-CB 3.26Å; G133-S137 PolarHBondContact O-N 2.91Å; G133-S137 PolarHBondContact O-OG 2.94Å; L134-S137 WeakPolarHBondContact CA-OG 3.46Å; L134-S137 PolarHBondContact O-OG 3.03Å; L134-S137 VanDerWaalsContact O-OG 3.08Å; S137-F139 VanDerWaalsContact C-N 3.35Å; S137-F139 PolarHBondContact O-N 3.48Å; S137-V140 PolarHBondContact O-N 3.41Å; S137-L141 VanDerWaalsContact O-CB 3.24Å; S137-L141 WeakPolarHBondContact O-CB 3.45Å; S137-L141 PolarHBondContact O-N 3.21Å
138	S	98.4	Very high	96.7	Very high	38 Å²	38	35.2 Å²	35.2	27%	0.266	20%	0.203	S	C	.	.	H	α-helix	trans	-60.5	-43.8	174	-60.6	0	0	0	0	111.8	F65 L134 G135 V140 L141 V142	F65-S138 VanDerWaalsContact CD2-OG 3.28Å; F65-S138 WeakPolarHBondContact CD2-OG 3.47Å; F65-S138 WeakPolarHBondContact CE2-OG 3.4Å; L134-S138 WeakPolarHBondContact O-CB 3.35Å; L134-S138 PolarHBondContact O-N 3.06Å; L134-S138 PolarHBondContact O-OG 3.49Å; G135-S138 PolarHBondContact O-N 3.27Å; S138-V140 PolarHBondContact O-N 3.32Å; S138-L141 PolarHBondContact O-N 3.4Å; S138-V142 WeakPolarHBondContact O-CB 3.36Å; S138-V142 WeakPolarHBondContact O-CG2 3.18Å; S138-V142 PolarHBondContact O-N 3.07Å
139	F	98	Very high	96.7	Very high	87 Å²	87	35.6 Å²	35.6	38%	0.382	21%	0.205	S	C	.	.	H	α-helix	trans	-58.8	-49.3	176.4	174.2	-94.1	0	0	0	111.8	G135 I136 S137 T143 C145 L150 L193	G135-F139 WeakPolarHBondContact O-CB 3.35Å; G135-F139 PolarHBondContact O-N 3.17Å; I136-F139 PolarHBondContact O-N 2.96Å; S137-F139 VanDerWaalsContact C-N 3.35Å; S137-F139 PolarHBondContact O-N 3.48Å; F139-T143 HydrophobicContact CD2-CG2 3.89Å; F139-T143 HydrophobicContact CE2-CG2 3.71Å; F139-T143 HydrophobicContact CG-CG2 4.47Å; F139-T143 HydrophobicContact CZ-CG2 4.14Å; F139-T143 WeakPolarHBondContact O-CB 3.42Å; F139-T143 WeakPolarHBondContact O-CG2 3.32Å; F139-T143 PolarHBondContact O-N 3.48Å; F139-T143 PolarHBondContact O-OG1 3.01Å; F139-C145 HydrophobicContact CE1-CB 4.43Å; F139-L150 HydrophobicContact CD1-CD1 3.95Å; F139-L150 HydrophobicContact CE1-CD1 3.82Å; F139-L193 HydrophobicContact CE1-CD2 4.32Å
140	V	97.3	Very high	96.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.9	-40.8	179	176.4	0	0	0	0	111.1	A61 I136 S137 S138 G144 A146 M151	A61-V140 HydrophobicContact CB-CB 3.87Å; A61-V140 HydrophobicContact CB-CG1 3.72Å; I136-V140 WeakPolarHBondContact O-CG2 3.49Å; I136-V140 PolarHBondContact O-N 3.32Å; S137-V140 PolarHBondContact O-N 3.41Å; S138-V140 PolarHBondContact O-N 3.32Å; V140-G144 WeakPolarHBondContact O-CA 3.46Å; V140-G144 PolarHBondContact O-N 2.9Å; V140-A146 HydrophobicContact CG1-CB 4.02Å; V140-A146 HydrophobicContact CG2-CB 4.23Å; V140-M151 HydrophobicContact CG2-SD 4.49Å
141	L	96.9	Very high	96.6	Very high	53 Å²	53	37.2 Å²	37.2	28%	0.277	21%	0.213	S	C	.	.	H	α-helix	trans	-60.9	-51.1	179.6	179.9	59.4	0	0	0	111.6	R58 A61 F62 S137 S138	R58-L141 HydrophobicContact CB-CD1 4.36Å; R58-L141 PolarHBondContact NE-O 3.36Å; R58-L141 WeakPolarHBondContact O-CD1 3.25Å; A61-L141 HydrophobicContact CB-CB 4.15Å; F62-L141 HydrophobicContact CB-CD1 3.98Å; F62-L141 HydrophobicContact CB-CD2 4.42Å; F62-L141 HydrophobicContact CD2-CD2 4.33Å; S137-L141 VanDerWaalsContact O-CB 3.24Å; S137-L141 WeakPolarHBondContact O-CB 3.45Å; S137-L141 PolarHBondContact O-N 3.21Å; S138-L141 PolarHBondContact O-N 3.4Å
142	V	95.8	Very high	96.6	Very high	111 Å²	111	35.7 Å²	35.7	67%	0.673	21%	0.208	S	C	*	.	H	α-helix	trans	-71.1	-55.3	-177.3	174.8	0	0	0	0	110.8	R58 S138 G144	R58-V142 PolarHBondContact NH2-O 2.92Å; S138-V142 WeakPolarHBondContact O-CB 3.36Å; S138-V142 WeakPolarHBondContact O-CG2 3.18Å; S138-V142 PolarHBondContact O-N 3.07Å; V142-G144 PolarHBondContact O-N 3.14Å
143	T	92.8	Very high	96.6	Very high	43 Å²	43	33.2 Å²	33.2	26%	0.264	20%	0.199	S	C	.	.	H	α-helix	trans	-74.9	-28.7	-172.7	67.4	0	0	0	0	112.7	F139 C145 R195	F139-T143 HydrophobicContact CD2-CG2 3.89Å; F139-T143 HydrophobicContact CE2-CG2 3.71Å; F139-T143 HydrophobicContact CG-CG2 4.47Å; F139-T143 HydrophobicContact CZ-CG2 4.14Å; F139-T143 WeakPolarHBondContact O-CB 3.42Å; F139-T143 WeakPolarHBondContact O-CG2 3.32Å; F139-T143 PolarHBondContact O-N 3.48Å; F139-T143 PolarHBondContact O-OG1 3.01Å; T143-C145 PolarHBondContact O-N 3.05Å; T143-C145 WeakPolarHBondContact OG1-CB 3.46Å; T143-C145 PolarHBondContact OG1-N 3.34Å; T143-C145 VanDerWaalsContact OG1-N 3.09Å; T143-R195 VanDerWaalsContact O-CD 3.31Å; T143-R195 WeakPolarHBondContact O-CD 3.39Å; T143-R195 WeakPolarHBondContact O-CG 3.48Å
144	G	90.2	Very high	96.5	Very high	3 Å²	3	33.2 Å²	33.2	3%	0.031	20%	0.199	C	C	.	.			trans	67.1	8.6	-168	0	0	0	0	0	113.6	V140 V142	V140-G144 WeakPolarHBondContact O-CA 3.46Å; V140-G144 PolarHBondContact O-N 2.9Å; V142-G144 PolarHBondContact O-N 3.14Å
145	C	92.7	Very high	96.5	Very high	21 Å²	21	33.6 Å²	33.6	14%	0.142	20%	0.199	C	C	.	.			trans	-93	130.2	175	-66.4	0	0	0	0	109.1	F139 T143	F139-C145 HydrophobicContact CE1-CB 4.43Å; T143-C145 PolarHBondContact O-N 3.05Å; T143-C145 WeakPolarHBondContact OG1-CB 3.46Å; T143-C145 PolarHBondContact OG1-N 3.34Å; T143-C145 VanDerWaalsContact OG1-N 3.09Å
146	A	94.2	Very high	96.5	Very high	2 Å²	2	32.7 Å²	32.7	2%	0.017	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-143.2	153.8	171.9	0	0	0	0	0	109.9	L57 V140 M151 S188	L57-A146 HydrophobicContact CD1-CB 4.02Å; L57-A146 HydrophobicContact CD2-CB 4.3Å; V140-A146 HydrophobicContact CG1-CB 4.02Å; V140-A146 HydrophobicContact CG2-CB 4.23Å; A146-M151 HydrophobicContact CB-CG 4.13Å; A146-M151 HydrophobicContact CB-SD 4.01Å; A146-S188 WeakPolarHBondContact CB-OG 3.15Å
147	N	94.9	Very high	96.5	Very high	13 Å²	13	31.9 Å²	31.9	7%	0.07	18%	0.183	C	C	.	.			trans	-131.5	170.5	168.4	68.1	15.8	0	0	0	108.8	I149 L150 M151 P189 W191 L193	N147-I149 PolarHBondContact O-N 2.86Å; N147-I149 PolarHBondContact OD1-N 3.37Å; N147-L150 PolarHBondContact O-N 3.28Å; N147-L150 WeakPolarHBondContact OD1-CB 3.29Å; N147-L150 WeakPolarHBondContact OD1-CG 3.47Å; N147-L150 PolarHBondContact OD1-N 2.91Å; N147-M151 WeakPolarHBondContact O-CG 3.38Å; N147-M151 PolarHBondContact O-N 2.99Å; N147-P189 CarbonylContact C-O 3.27Å; N147-P189 WeakPolarHBondContact CA-O 3.32Å; N147-P189 WeakPolarHBondContact CB-O 3.29Å; N147-W191 PolarHBondContact ND2-O 3.25Å; N147-L193 HydrophobicContact CB-CD2 4.18Å
148	M	95.6	Very high	96.5	Very high	30 Å²	30	31.9 Å²	31.9	15%	0.148	18%	0.183	C	C	.	.	H	α-helix	trans	-60.2	-34.8	-179.1	-68.8	-179.8	67.4	0	0	111.5	M151 T152 I185 F186 S188 P189 L190	M148-M151 PolarHBondContact O-N 3.41Å; M148-T152 VanDerWaalsContact O-CB 3.26Å; M148-T152 WeakPolarHBondContact O-CB 3.46Å; M148-T152 PolarHBondContact O-N 3.24Å; M148-T152 PolarHBondContact O-OG1 3.44Å; M148-I185 HydrophobicContact CB-CG2 4.03Å; M148-I185 HydrophobicContact CE-CG2 3.93Å; M148-I185 HydrophobicContact CG-CG2 4.18Å; M148-I185 WeakPolarHBondContact CG-O 3.24Å; M148-F186 HydrophobicContact CE-CD1 3.94Å; M148-F186 HydrophobicContact CE-CE1 3.95Å; M148-S188 WeakPolarHBondContact CG-O 3.31Å; M148-P189 PolarHBondContact N-O 3.47Å; M148-L190 HydrophobicContact CB-CD1 3.96Å; M148-L190 HydrophobicContact CG-CD1 4.43Å; M148-L190 HydrophobicContact SD-CB 4.15Å; M148-L190 HydrophobicContact SD-CD1 3.95Å
149	I	96.9	Very high	96.4	Very high	73 Å²	73	30.6 Å²	30.6	37%	0.374	17%	0.173	S	C	.	.	H	α-helix	trans	-65.2	-49.4	-177.9	-63.8	163	0	0	0	111.4	N147 M151 T152 A153 W191	N147-I149 PolarHBondContact O-N 2.86Å; N147-I149 PolarHBondContact OD1-N 3.37Å; I149-M151 VanDerWaalsContact C-N 3.34Å; I149-M151 PolarHBondContact O-N 3.23Å; I149-T152 PolarHBondContact O-N 3.22Å; I149-A153 WeakPolarHBondContact O-CB 3.23Å; I149-A153 PolarHBondContact O-N 3.4Å; I149-W191 HydrophobicContact CD1-CD2 4.2Å; I149-W191 HydrophobicContact CD1-CE3 3.39Å; I149-W191 HydrophobicContact CD1-CH2 3.79Å; I149-W191 HydrophobicContact CD1-CZ3 3.17Å
150	L	97.2	Very high	96.3	Very high	38 Å²	38	26.6 Å²	26.6	20%	0.199	16%	0.156	C	C	.	.	H	α-helix	trans	-63	-41.6	178.3	-67.9	-179.4	0	0	0	111.5	I136 F139 N147 A153 L154 L193	I136-L150 HydrophobicContact CG2-CB 4.03Å; I136-L150 HydrophobicContact CG2-CD2 4.07Å; F139-L150 HydrophobicContact CD1-CD1 3.95Å; F139-L150 HydrophobicContact CE1-CD1 3.82Å; N147-L150 PolarHBondContact O-N 3.28Å; N147-L150 WeakPolarHBondContact OD1-CB 3.29Å; N147-L150 WeakPolarHBondContact OD1-CG 3.47Å; N147-L150 PolarHBondContact OD1-N 2.91Å; L150-A153 PolarHBondContact O-N 3.45Å; L150-L154 PolarHBondContact O-N 3.17Å; L150-L193 HydrophobicContact CD1-CD2 3.67Å
151	M	97.9	Very high	96.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-69	-38.3	178.3	-63.7	-53	-60.5	0	0	112	L57 L60 V140 A146 N147 M148 I149 L154 W155 I185	L57-M151 HydrophobicContact CD2-CE 4.07Å; L57-M151 HydrophobicContact CD2-CG 4.4Å; L57-M151 HydrophobicContact CD2-SD 4.07Å; L60-M151 HydrophobicContact CD2-CE 3.6Å; L60-M151 HydrophobicContact CG-CE 4.24Å; V140-M151 HydrophobicContact CG2-SD 4.49Å; A146-M151 HydrophobicContact CB-CG 4.13Å; A146-M151 HydrophobicContact CB-SD 4.01Å; N147-M151 WeakPolarHBondContact O-CG 3.38Å; N147-M151 PolarHBondContact O-N 2.99Å; M148-M151 PolarHBondContact O-N 3.41Å; I149-M151 VanDerWaalsContact C-N 3.34Å; I149-M151 PolarHBondContact O-N 3.23Å; M151-L154 PolarHBondContact O-N 3.1Å; M151-L154 HydrophobicContact SD-CD1 4.24Å; M151-W155 WeakPolarHBondContact O-CB 3.42Å; M151-W155 PolarHBondContact O-N 3.29Å; M151-I185 HydrophobicContact CB-CB 4.33Å; M151-I185 HydrophobicContact CB-CG1 3.94Å
152	T	98.1	Very high	96.3	Very high	56 Å²	56	24.1 Å²	24.1	34%	0.344	14%	0.143	S	C	.	.	H	α-helix	trans	-65.9	-39.9	173.9	-63.2	0	0	0	0	110.9	M148 I149 W155 A156 I185	M148-T152 VanDerWaalsContact O-CB 3.26Å; M148-T152 WeakPolarHBondContact O-CB 3.46Å; M148-T152 PolarHBondContact O-N 3.24Å; M148-T152 PolarHBondContact O-OG1 3.44Å; I149-T152 PolarHBondContact O-N 3.22Å; T152-W155 PolarHBondContact O-N 3.01Å; T152-A156 VanDerWaalsContact O-CB 3.3Å; T152-A156 WeakPolarHBondContact O-CB 3.47Å; T152-A156 PolarHBondContact O-N 3.27Å; T152-I185 WeakPolarHBondContact OG1-CG2 3.4Å
153	A	98.2	Very high	96.2	Very high	32 Å²	32	19.5 Å²	19.5	26%	0.264	12%	0.115	S	C	.	.	H	α-helix	trans	-60.7	-49	175.2	0	0	0	0	0	111	I136 I149 L150 W155 A156 L157	I136-A153 HydrophobicContact CD1-CB 3.96Å; I149-A153 WeakPolarHBondContact O-CB 3.23Å; I149-A153 PolarHBondContact O-N 3.4Å; L150-A153 PolarHBondContact O-N 3.45Å; A153-W155 VanDerWaalsContact C-N 3.31Å; A153-W155 PolarHBondContact O-N 3.41Å; A153-A156 PolarHBondContact O-N 3.2Å; A153-L157 VanDerWaalsContact O-CB 3.31Å; A153-L157 WeakPolarHBondContact O-CB 3.26Å; A153-L157 WeakPolarHBondContact O-CG 3.08Å; A153-L157 PolarHBondContact O-N 3.23Å
154	L	98.3	Very high	96.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-55.6	-46.4	174.3	-76.8	173.3	0	0	0	112.3	Y64 F68 G133 I136 L150 M151 Y158	Y64-L154 HydrophobicContact CD2-CB 4.3Å; Y64-L154 HydrophobicContact CD2-CD1 4.12Å; Y64-L154 HydrophobicContact CE2-CB 4.2Å; Y64-L154 HydrophobicContact CG-CB 4.48Å; F68-L154 HydrophobicContact CD2-CD2 4.46Å; F68-L154 HydrophobicContact CE2-CD2 3.8Å; G133-L154 WeakPolarHBondContact O-CD2 3.42Å; I136-L154 HydrophobicContact CB-CD2 3.82Å; I136-L154 HydrophobicContact CB-CG 4.09Å; I136-L154 HydrophobicContact CG2-CD1 3.91Å; I136-L154 HydrophobicContact CG2-CD2 3.91Å; I136-L154 HydrophobicContact CG2-CG 3.59Å; L150-L154 PolarHBondContact O-N 3.17Å; M151-L154 PolarHBondContact O-N 3.1Å; M151-L154 HydrophobicContact SD-CD1 4.24Å; L154-Y158 WeakPolarHBondContact O-CB 3.48Å; L154-Y158 PolarHBondContact O-N 3.24Å
155	W	98.3	Very high	96.4	Very high	30 Å²	30	17.3 Å²	17.3	11%	0.114	10%	0.101	C	C	.	.	H	α-helix	trans	-63.5	-46	-180	179.2	81.7	0	0	0	112.4	M151 T152 A153 Y158 M159 L178 F182 I185 L402	M151-W155 WeakPolarHBondContact O-CB 3.42Å; M151-W155 PolarHBondContact O-N 3.29Å; T152-W155 PolarHBondContact O-N 3.01Å; A153-W155 VanDerWaalsContact C-N 3.31Å; A153-W155 PolarHBondContact O-N 3.41Å; W155-Y158 PolarHBondContact O-N 3.32Å; W155-M159 HydrophobicContact CD2-CE 4.33Å; W155-M159 HydrophobicContact CE3-CE 4.43Å; W155-M159 HydrophobicContact CH2-CE 3.23Å; W155-M159 HydrophobicContact CH2-SD 4.03Å; W155-M159 HydrophobicContact CZ2-CE 3.05Å; W155-M159 HydrophobicContact CZ2-SD 4.38Å; W155-M159 HydrophobicContact CZ3-CE 3.93Å; W155-M159 HydrophobicContact CZ3-SD 4.29Å; W155-M159 VanDerWaalsContact O-CB 3.31Å; W155-M159 WeakPolarHBondContact O-CB 3.45Å; W155-M159 PolarHBondContact O-N 3.26Å; W155-L178 PolarHBondContact NE1-O 3.5Å; W155-F182 HydrophobicContact CZ2-CD2 4.01Å; W155-I185 HydrophobicContact CB-CD1 4.13Å; W155-I185 HydrophobicContact CD2-CD1 4.35Å; W155-I185 HydrophobicContact CG-CD1 4.19Å; W155-L402 HydrophobicContact CH2-CD2 4.31Å
156	A	97.9	Very high	96.4	Very high	25 Å²	25	19.3 Å²	19.3	21%	0.207	11%	0.108	C	C	.	.	H	α-helix	trans	-69.8	-38.8	-179.1	0	0	0	0	0	112.5	I113 T152 A153 M159 S160	I113-A156 HydrophobicContact CD1-CB 4Å; T152-A156 VanDerWaalsContact O-CB 3.3Å; T152-A156 WeakPolarHBondContact O-CB 3.47Å; T152-A156 PolarHBondContact O-N 3.27Å; A153-A156 PolarHBondContact O-N 3.2Å; A156-M159 PolarHBondContact O-N 3.32Å; A156-S160 WeakPolarHBondContact O-CB 3.41Å; A156-S160 PolarHBondContact O-N 2.94Å; A156-S160 PolarHBondContact O-OG 3.39Å
157	L	98.3	Very high	96.3	Very high	15 Å²	15	22 Å²	22	8%	0.079	12%	0.121	C	C	.	.	H	α-helix	trans	-61.4	-45.4	173.2	-71	171.8	0	0	0	110.8	F68 I113 I129 L132 I136 A153 S160 L161	F68-L157 HydrophobicContact CE1-CB 4.06Å; F68-L157 HydrophobicContact CZ-CB 3.78Å; I113-L157 HydrophobicContact CD1-CD2 4.39Å; I129-L157 HydrophobicContact CB-CD2 4.32Å; I129-L157 HydrophobicContact CG1-CD2 4.12Å; I129-L157 HydrophobicContact CG2-CB 4.08Å; I129-L157 HydrophobicContact CG2-CD2 3.97Å; I129-L157 WeakPolarHBondContact CG2-O 3.27Å; L132-L157 HydrophobicContact CB-CD1 3.91Å; I136-L157 HydrophobicContact CD1-CD1 4.12Å; A153-L157 VanDerWaalsContact O-CB 3.31Å; A153-L157 WeakPolarHBondContact O-CB 3.26Å; A153-L157 WeakPolarHBondContact O-CG 3.08Å; A153-L157 PolarHBondContact O-N 3.23Å; L157-S160 WeakPolarHBondContact O-CB 3.29Å; L157-S160 PolarHBondContact O-N 3.31Å; L157-L161 PolarHBondContact O-N 3.05Å
158	Y	98.1	Very high	96.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-69.5	-41	179.2	-166.7	-107.1	0	0	0	112.4	Y64 A67 F68 L154 W155 S160 L161 V162 E174 L177 L178	Y64-Y158 HydrophobicContact CD1-CG 4.4Å; Y64-Y158 HydrophobicContact CE1-CD1 4.33Å; Y64-Y158 AromaticContact CE1-CG 3.97Å; Y64-Y158 HydrophobicContact CE1-CG 3.97Å; A67-Y158 HydrophobicContact CB-CD2 4.38Å; A67-Y158 HydrophobicContact CB-CE2 3.6Å; F68-Y158 HydrophobicContact CE1-CD2 4.18Å; F68-Y158 HydrophobicContact CZ-CD2 4.16Å; F68-Y158 HydrophobicContact CZ-CG 4.48Å; L154-Y158 WeakPolarHBondContact O-CB 3.48Å; L154-Y158 PolarHBondContact O-N 3.24Å; W155-Y158 PolarHBondContact O-N 3.32Å; Y158-S160 PolarHBondContact O-N 3.08Å; Y158-L161 PolarHBondContact O-N 3.49Å; Y158-L161 VanDerWaalsContact O-N 3.13Å; Y158-V162 HydrophobicContact CD1-CG2 3.78Å; Y158-V162 HydrophobicContact CE1-CG2 3.44Å; Y158-V162 VanDerWaalsContact CE1-CG2 3.44Å; Y158-V162 HydrophobicContact CG-CG2 4.49Å; Y158-V162 WeakPolarHBondContact O-CG2 3.42Å; Y158-V162 PolarHBondContact O-N 3.08Å; Y158-E174 VanDerWaalsContact CZ-OE2 3.24Å; Y158-E174 VanDerWaalsContact OH-CD 3.24Å; Y158-E174 PolarHBondContact OH-OE2 3.08Å; Y158-L177 HydrophobicContact CD1-CB 4.41Å; Y158-L177 HydrophobicContact CD1-CD2 3.96Å; Y158-L177 HydrophobicContact CD1-CG 4.12Å; Y158-L177 HydrophobicContact CD2-CD2 4.29Å; Y158-L177 HydrophobicContact CE1-CB 3.84Å; Y158-L177 HydrophobicContact CE1-CD2 3.55Å; Y158-L177 HydrophobicContact CE1-CG 3.89Å; Y158-L177 HydrophobicContact CE2-CD2 3.92Å; Y158-L177 HydrophobicContact CG-CD2 4.3Å; Y158-L178 HydrophobicContact CD1-CD2 3.77Å; Y158-L178 HydrophobicContact CD1-CG 4.06Å; Y158-L178 HydrophobicContact CE1-CG 4.47Å
159	M	96.8	Very high	96.2	Very high	11 Å²	11	20.2 Å²	20.2	5%	0.054	11%	0.112	C	C	.	.	H	α-helix	trans	-55.6	-41.2	173.7	179.2	176.2	-75.7	0	0	111.6	P111 W155 A156 L161 V162 N163 L178 L402	P111-M159 HydrophobicContact CB-SD 4Å; P111-M159 HydrophobicContact CG-SD 4.13Å; W155-M159 HydrophobicContact CD2-CE 4.33Å; W155-M159 HydrophobicContact CE3-CE 4.43Å; W155-M159 HydrophobicContact CH2-CE 3.23Å; W155-M159 HydrophobicContact CH2-SD 4.03Å; W155-M159 HydrophobicContact CZ2-CE 3.05Å; W155-M159 HydrophobicContact CZ2-SD 4.38Å; W155-M159 HydrophobicContact CZ3-CE 3.93Å; W155-M159 HydrophobicContact CZ3-SD 4.29Å; W155-M159 VanDerWaalsContact O-CB 3.31Å; W155-M159 WeakPolarHBondContact O-CB 3.45Å; W155-M159 PolarHBondContact O-N 3.26Å; A156-M159 PolarHBondContact O-N 3.32Å; M159-L161 VanDerWaalsContact C-N 3.32Å; M159-L161 PolarHBondContact O-N 3.21Å; M159-V162 PolarHBondContact O-N 3.16Å; M159-N163 VanDerWaalsContact CG-ND2 3.33Å; M159-N163 WeakPolarHBondContact CG-ND2 3.41Å; M159-N163 PolarHBondContact O-N 3.12Å; M159-N163 PolarHBondContact O-ND2 3.25Å; M159-L178 HydrophobicContact CB-CD2 3.72Å; M159-L178 HydrophobicContact CE-CD2 4.48Å; M159-L402 HydrophobicContact CE-CB 4.07Å; M159-L402 HydrophobicContact CE-CD2 3.89Å; M159-L402 VanDerWaalsContact CE-O 3.29Å; M159-L402 WeakPolarHBondContact CE-O 3.44Å; M159-L402 HydrophobicContact SD-CD2 3.84Å
160	S	96.8	Very high	95.8	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.014	12%	0.119	C	C	.	.	H	α-helix	trans	-58.2	-45.5	178	-59.7	0	0	0	0	111.5	T112 I113 A156 L157 Y158 V164	T112-S160 VanDerWaalsContact OG1-CA 3.27Å; T112-S160 WeakPolarHBondContact OG1-CA 3.39Å; T112-S160 VanDerWaalsContact OG1-CB 3.22Å; T112-S160 WeakPolarHBondContact OG1-CB 3.22Å; T112-S160 PolarHBondContact OG1-O 3.06Å; I113-S160 WeakPolarHBondContact CG1-OG 3.43Å; I113-S160 PolarHBondContact N-OG 3.18Å; A156-S160 WeakPolarHBondContact O-CB 3.41Å; A156-S160 PolarHBondContact O-N 2.94Å; A156-S160 PolarHBondContact O-OG 3.39Å; L157-S160 WeakPolarHBondContact O-CB 3.29Å; L157-S160 PolarHBondContact O-N 3.31Å; Y158-S160 PolarHBondContact O-N 3.08Å; S160-V164 VanDerWaalsContact O-CG2 3.3Å; S160-V164 WeakPolarHBondContact O-CG2 3.35Å; S160-V164 PolarHBondContact O-N 3.24Å
161	L	96.8	Very high	95.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66.5	-43.5	176.9	-62.2	-179	0	0	0	112.4	F68 A71 L126 I129 L157 Y158 M159 N163 V164 G165	F68-L161 HydrophobicContact CD1-CD1 3.88Å; F68-L161 HydrophobicContact CE1-CD1 3.84Å; A71-L161 HydrophobicContact CB-CD1 3.7Å; L126-L161 HydrophobicContact CD2-CD2 3.92Å; I129-L161 HydrophobicContact CB-CD2 4.38Å; I129-L161 HydrophobicContact CG2-CD1 4.1Å; I129-L161 HydrophobicContact CG2-CD2 3.76Å; I129-L161 HydrophobicContact CG2-CG 3.76Å; L157-L161 PolarHBondContact O-N 3.05Å; Y158-L161 PolarHBondContact O-N 3.49Å; Y158-L161 VanDerWaalsContact O-N 3.13Å; M159-L161 VanDerWaalsContact C-N 3.32Å; M159-L161 PolarHBondContact O-N 3.21Å; L161-N163 VanDerWaalsContact C-N 3.32Å; L161-N163 PolarHBondContact O-N 2.81Å; L161-V164 PolarHBondContact O-N 3.05Å; L161-G165 WeakPolarHBondContact O-CA 3.29Å; L161-G165 PolarHBondContact O-N 3.44Å
162	V	95.7	Very high	95.1	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.012	12%	0.118	C	C	.	.	H	α-helix	trans	-62.9	-38.3	-178	170.8	0	0	0	0	112	Y158 M159 E174 L178 R403	Y158-V162 HydrophobicContact CD1-CG2 3.78Å; Y158-V162 HydrophobicContact CE1-CG2 3.44Å; Y158-V162 VanDerWaalsContact CE1-CG2 3.44Å; Y158-V162 HydrophobicContact CG-CG2 4.49Å; Y158-V162 WeakPolarHBondContact O-CG2 3.42Å; Y158-V162 PolarHBondContact O-N 3.08Å; M159-V162 PolarHBondContact O-N 3.16Å; V162-E174 HydrophobicContact CG1-CB 4.35Å; V162-E174 HydrophobicContact CG2-CB 4.14Å; V162-L178 HydrophobicContact CB-CD1 4.14Å; V162-L178 HydrophobicContact CG1-CD1 3.93Å; V162-L178 HydrophobicContact CG2-CD1 4.22Å; V162-R403 VanDerWaalsContact CG1-CZ 3.45Å
163	N	94.2	Very high	94.8	Very high	14 Å²	14	17.6 Å²	17.6	8%	0.075	10%	0.104	C	C	.	.	H	α-helix	trans	-79.7	-27.9	-177.8	-72.7	-45.2	0	0	0	113.8	Y90 P111 M159 L161 R403	Y90-N163 WeakPolarHBondContact CE1-O 3.47Å; P111-N163 WeakPolarHBondContact CD-ND2 3.44Å; P111-N163 WeakPolarHBondContact CG-ND2 3.34Å; P111-N163 PolarHBondContact O-ND2 3.35Å; M159-N163 VanDerWaalsContact CG-ND2 3.33Å; M159-N163 WeakPolarHBondContact CG-ND2 3.41Å; M159-N163 PolarHBondContact O-N 3.12Å; M159-N163 PolarHBondContact O-ND2 3.25Å; L161-N163 VanDerWaalsContact C-N 3.32Å; L161-N163 PolarHBondContact O-N 2.81Å; N163-R403 PolarHBondContact OD1-NH2 3.21Å
164	V	94.9	Very high	94.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-91	-13.1	174.8	-54.7	0	0	0	0	113.2	I79 C87 L91 T112 M114 S160 L161 Q166	I79-V164 HydrophobicContact CD1-CG2 4.21Å; C87-V164 HydrophobicContact CB-CB 4Å; C87-V164 HydrophobicContact CB-CG2 4.34Å; L91-V164 HydrophobicContact CD1-CG1 4.39Å; L91-V164 HydrophobicContact CD2-CG1 4.09Å; L91-V164 HydrophobicContact CG-CG1 4.42Å; T112-V164 HydrophobicContact CG2-CG1 3.86Å; M114-V164 HydrophobicContact CB-CG1 4.49Å; M114-V164 HydrophobicContact CG-CG1 4.18Å; S160-V164 VanDerWaalsContact O-CG2 3.3Å; S160-V164 WeakPolarHBondContact O-CG2 3.35Å; S160-V164 PolarHBondContact O-N 3.24Å; L161-V164 PolarHBondContact O-N 3.05Å; V164-Q166 VanDerWaalsContact C-N 3.29Å; V164-Q166 PolarHBondContact O-N 3.3Å
165	G	92.8	Very high	94.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-76.5	-5.3	-174.2	0	0	0	0	0	116.1	L161 I167 C168 H169	L161-G165 WeakPolarHBondContact O-CA 3.29Å; L161-G165 PolarHBondContact O-N 3.44Å; G165-I167 PolarHBondContact O-N 3.23Å; G165-C168 WeakPolarHBondContact O-CA 3.36Å; G165-C168 VanDerWaalsContact O-CB 3.25Å; G165-C168 WeakPolarHBondContact O-CB 3.37Å; G165-C168 PolarHBondContact O-N 3.36Å; G165-H169 PolarHBondContact O-N 3.16Å
166	Q	92.9	Very high	94.4	Very high	63 Å²	63	14.9 Å²	14.9	29%	0.294	9%	0.088	S	C	.	.	G	3₁₀ helix	trans	48.8	-134.6	175.1	-61.6	169.3	73	0	0	112.3	L85 Y90 V164 C168 H169 S170	L85-Q166 HydrophobicContact CD1-CB 4.47Å; L85-Q166 PolarHBondContact O-NE2 2.69Å; L85-Q166 VanDerWaalsContact O-NE2 3.1Å; Y90-Q166 HydrophobicContact CD2-CG 3.89Å; Y90-Q166 HydrophobicContact CE2-CG 4.32Å; Y90-Q166 HydrophobicContact CG-CG 4.01Å; V164-Q166 VanDerWaalsContact C-N 3.29Å; V164-Q166 PolarHBondContact O-N 3.3Å; Q166-C168 PolarHBondContact O-N 3.06Å; Q166-H169 CarbonylContact O-C 3.48Å; Q166-H169 PolarHBondContact O-N 3.28Å; Q166-S170 PolarHBondContact O-N 3.42Å
167	I	92.6	Very high	94.3	Very high	59 Å²	59	13.7 Å²	13.7	30%	0.303	8%	0.078	S	C	.	.	G	3₁₀ helix	trans	-64.1	-27	179.3	-159.7	171.4	0	0	0	112.6	L85 G165 H169 S170 L467	L85-I167 HydrophobicContact CD1-CG2 3.45Å; L85-I167 VanDerWaalsContact CD1-CG2 3.45Å; G165-I167 PolarHBondContact O-N 3.23Å; I167-H169 PolarHBondContact O-N 3.32Å; I167-S170 PolarHBondContact O-N 2.88Å; I167-S170 PolarHBondContact O-OG 2.05Å; I167-L467 HydrophobicContact CD1-CD2 4.42Å; I167-L467 HydrophobicContact CG1-CD2 3.98Å; I167-L467 HydrophobicContact CG2-CD1 4.36Å; I167-L467 HydrophobicContact CG2-CD2 4.29Å
168	C	93.6	Very high	94.3	Very high	3 Å²	3	13 Å²	13	2%	0.02	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-64.6	-21.9	177.9	-58.9	0	0	0	0	112.4	L78 G165 Q166 R463	L78-C168 HydrophobicContact CD1-CB 4.43Å; G165-C168 WeakPolarHBondContact O-CA 3.36Å; G165-C168 VanDerWaalsContact O-CB 3.25Å; G165-C168 WeakPolarHBondContact O-CB 3.37Å; G165-C168 PolarHBondContact O-N 3.36Å; Q166-C168 PolarHBondContact O-N 3.06Å; C168-R463 PolarHBondContact O-NH1 3.04Å
169	H	93.3	Very high	94.3	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.009	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-122	24	178.7	-75.9	-100.9	0	0	0	113.3	G165 Q166 I167 L171 E174 R463	G165-H169 PolarHBondContact O-N 3.16Å; Q166-H169 CarbonylContact O-C 3.48Å; Q166-H169 PolarHBondContact O-N 3.28Å; I167-H169 PolarHBondContact O-N 3.32Å; H169-L171 VanDerWaalsContact C-N 3.28Å; H169-L171 PolarHBondContact O-N 3.06Å; H169-E174 HydrophobicContact CB-CG 4.47Å; H169-E174 IonicContact CE1-OE2 3.57Å; H169-E174 IonicContact CG-OE2 3.57Å; H169-E174 IonicContact ND1-OE1 3.61Å; H169-E174 IonicContact ND1-OE2 3.4Å; H169-E174 PolarHBondContact ND1-OE2 3.32Å; H169-R463 PolarHBondContact CE1-NH2 3.24Å; H169-R463 PolarHBondContact ND1-NH2 2.63Å
170	S	89.2	Confident	94.3	Very high	73 Å²	73	12.6 Å²	12.6	51%	0.51	7%	0.072	S	C	.	.			trans	-82.5	-1.1	-179	66.6	0	0	0	0	114.6	Q166 I167	Q166-S170 PolarHBondContact O-N 3.42Å; I167-S170 PolarHBondContact O-N 2.88Å; I167-S170 PolarHBondContact O-OG 2.05Å
171	L	90.2	Very high	94.4	Very high	16 Å²	16	12.5 Å²	12.5	8%	0.084	7%	0.071	C	C	.	.	S	Bend	trans	-78.8	146.7	-170.1	-59.3	162.4	0	0	0	111.9	H169 W173 E174 H461 F470	H169-L171 VanDerWaalsContact C-N 3.28Å; H169-L171 PolarHBondContact O-N 3.06Å; L171-W173 VanDerWaalsContact C-N 3.27Å; L171-W173 HydrophobicContact CB-CD2 3.88Å; L171-W173 HydrophobicContact CB-CE3 4.14Å; L171-W173 HydrophobicContact CB-CH2 3.84Å; L171-W173 HydrophobicContact CB-CZ2 3.57Å; L171-W173 HydrophobicContact CB-CZ3 4.1Å; L171-W173 HydrophobicContact CD1-CH2 3.62Å; L171-W173 HydrophobicContact CD1-CZ2 3.12Å; L171-W173 HydrophobicContact CD2-CH2 4.01Å; L171-W173 HydrophobicContact CD2-CZ2 4.31Å; L171-W173 HydrophobicContact CG-CH2 4Å; L171-W173 HydrophobicContact CG-CZ2 3.8Å; L171-W173 PolarHBondContact O-N 3.09Å; L171-W173 VanDerWaalsContact O-N 3.14Å; L171-E174 HydrophobicContact CB-CG 4.28Å; L171-E174 WeakPolarHBondContact O-CB 3.11Å; L171-E174 VanDerWaalsContact O-CG 3.28Å; L171-E174 WeakPolarHBondContact O-CG 3.38Å; L171-E174 PolarHBondContact O-N 3.31Å; L171-H461 WeakPolarHBondContact CD1-CE1 3.45Å; L171-F470 HydrophobicContact CD2-CE2 3.74Å; L171-F470 HydrophobicContact CD2-CZ 4.07Å
172	G	90.1	Very high	94.4	Very high	9 Å²	9	13.6 Å²	13.6	9%	0.093	8%	0.076	C	C	.	.	H	α-helix	trans	-61.8	-25.1	-171.2	0	0	0	0	0	115.8	E174 S175 Q176	G172-E174 VanDerWaalsContact C-N 3.26Å; G172-E174 PolarHBondContact O-N 2.94Å; G172-S175 PolarHBondContact O-OG 3.5Å; G172-Q176 PolarHBondContact O-N 2.94Å; G172-Q176 VanDerWaalsContact O-N 3.13Å
173	W	92.4	Very high	94.5	Very high	13 Å²	13	13.8 Å²	13.8	5%	0.049	8%	0.077	C	C	.	.	H	α-helix	trans	-72.8	-19.1	174.7	52.1	81.1	0	0	0	113.3	L171 Q176 L177 F310 L311 L314 H461 W466	L171-W173 VanDerWaalsContact C-N 3.27Å; L171-W173 HydrophobicContact CB-CD2 3.88Å; L171-W173 HydrophobicContact CB-CE3 4.14Å; L171-W173 HydrophobicContact CB-CH2 3.84Å; L171-W173 HydrophobicContact CB-CZ2 3.57Å; L171-W173 HydrophobicContact CB-CZ3 4.1Å; L171-W173 HydrophobicContact CD1-CH2 3.62Å; L171-W173 HydrophobicContact CD1-CZ2 3.12Å; L171-W173 HydrophobicContact CD2-CH2 4.01Å; L171-W173 HydrophobicContact CD2-CZ2 4.31Å; L171-W173 HydrophobicContact CG-CH2 4Å; L171-W173 HydrophobicContact CG-CZ2 3.8Å; L171-W173 PolarHBondContact O-N 3.09Å; L171-W173 VanDerWaalsContact O-N 3.14Å; W173-Q176 PolarHBondContact O-N 3.36Å; W173-L177 WeakPolarHBondContact O-CB 3.2Å; W173-L177 PolarHBondContact O-N 2.75Å; W173-F310 HydrophobicContact CB-CE2 4.12Å; W173-F310 AromaticContact CD1-CE2 3.45Å; W173-F310 VanDerWaalsContact CD1-CE2 3.45Å; W173-F310 AromaticContact CD1-CZ 3.38Å; W173-F310 HydrophobicContact CG-CE2 4.06Å; W173-F310 HydrophobicContact CG-CZ 4.37Å; W173-F310 AromaticContact NE1-CZ 3.93Å; W173-L311 HydrophobicContact CB-CB 4.1Å; W173-L311 HydrophobicContact CB-CD1 3.75Å; W173-L311 HydrophobicContact CD2-CB 4.32Å; W173-L311 HydrophobicContact CE3-CB 3.94Å; W173-L311 HydrophobicContact CE3-CD1 4.31Å; W173-L311 HydrophobicContact CE3-CD2 4.11Å; W173-L311 HydrophobicContact CE3-CG 4.34Å; W173-L311 HydrophobicContact CG-CB 4.45Å; W173-L314 HydrophobicContact CB-CD2 4.31Å; W173-L314 WeakPolarHBondContact O-CD2 3.32Å; W173-H461 AromaticContact CZ2-CE1 3.63Å; W173-H461 AromaticContact CZ2-NE2 3.68Å; W173-W466 HydrophobicContact CH2-CD2 4.12Å; W173-W466 AromaticContact CH2-CE3 3.68Å; W173-W466 HydrophobicContact CH2-CE3 3.68Å; W173-W466 AromaticContact CH2-CH2 3.58Å; W173-W466 HydrophobicContact CH2-CH2 3.58Å; W173-W466 HydrophobicContact CH2-CZ2 4.06Å; W173-W466 AromaticContact CH2-CZ3 3.4Å; W173-W466 HydrophobicContact CH2-CZ3 3.4Å; W173-W466 AromaticContact CZ3-CH2 3.91Å; W173-W466 HydrophobicContact CZ3-CH2 3.91Å; W173-W466 AromaticContact CZ3-CZ3 3.87Å; W173-W466 HydrophobicContact CZ3-CZ3 3.87Å
174	E	94.8	Very high	94.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-68.5	-45.6	176.4	-54.9	-76.4	160.6	0	0	109.8	Y158 V162 H169 L171 G172 L177 L178 R463	Y158-E174 VanDerWaalsContact CZ-OE2 3.24Å; Y158-E174 VanDerWaalsContact OH-CD 3.24Å; Y158-E174 PolarHBondContact OH-OE2 3.08Å; V162-E174 HydrophobicContact CG1-CB 4.35Å; V162-E174 HydrophobicContact CG2-CB 4.14Å; H169-E174 HydrophobicContact CB-CG 4.47Å; H169-E174 IonicContact CE1-OE2 3.57Å; H169-E174 IonicContact CG-OE2 3.57Å; H169-E174 IonicContact ND1-OE1 3.61Å; H169-E174 IonicContact ND1-OE2 3.4Å; H169-E174 PolarHBondContact ND1-OE2 3.32Å; L171-E174 HydrophobicContact CB-CG 4.28Å; L171-E174 WeakPolarHBondContact O-CB 3.11Å; L171-E174 VanDerWaalsContact O-CG 3.28Å; L171-E174 WeakPolarHBondContact O-CG 3.38Å; L171-E174 PolarHBondContact O-N 3.31Å; G172-E174 VanDerWaalsContact C-N 3.26Å; G172-E174 PolarHBondContact O-N 2.94Å; E174-L177 PolarHBondContact O-N 3.36Å; E174-L178 WeakPolarHBondContact O-CG 3.21Å; E174-L178 PolarHBondContact O-N 3.37Å; E174-R463 IonicContact OE1-CZ 2.63Å; E174-R463 VanDerWaalsContact OE1-CZ 3.31Å; E174-R463 IonicContact OE1-NH1 3.81Å; E174-R463 PolarHBondContact OE1-NH1 3.38Å; E174-R463 IonicContact OE1-NH2 3.42Å; E174-R463 PolarHBondContact OE1-NH2 3.46Å; E174-R463 IonicContact OE2-NH2 2.91Å
175	S	94.1	Very high	94.7	Very high	4 Å²	4	13.4 Å²	13.4	3%	0.028	8%	0.075	C	C	.	.	H	α-helix	trans	-69.5	-35.7	173.4	55.7	0	0	0	0	112.2	G172 L177 L178 E179 N406	G172-S175 PolarHBondContact O-OG 3.5Å; S175-L177 VanDerWaalsContact C-N 3.34Å; S175-L177 PolarHBondContact O-N 2.93Å; S175-L178 PolarHBondContact O-N 2.97Å; S175-E179 PolarHBondContact O-N 3.01Å; S175-N406 PolarHBondContact O-ND2 2.99Å
176	Q	96.3	Very high	94.8	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.009	8%	0.081	C	C	.	.	H	α-helix	trans	-61.2	-40.5	173	-170.3	-178.9	-16.7	0	0	112.4	G172 W173 L178 E179 T180 I217 L311 L314 T315 Y408	G172-Q176 PolarHBondContact O-N 2.94Å; G172-Q176 VanDerWaalsContact O-N 3.13Å; W173-Q176 PolarHBondContact O-N 3.36Å; Q176-L178 VanDerWaalsContact C-N 3.33Å; Q176-E179 PolarHBondContact O-N 3.46Å; Q176-T180 VanDerWaalsContact O-CB 3.29Å; Q176-T180 WeakPolarHBondContact O-CB 3.31Å; Q176-T180 PolarHBondContact O-N 3.04Å; Q176-T180 PolarHBondContact O-OG1 2.88Å; Q176-I217 HydrophobicContact CG-CD1 4.13Å; Q176-I217 VanDerWaalsContact NE2-CD1 3.35Å; Q176-L311 VanDerWaalsContact OE1-CD1 3.27Å; Q176-L314 HydrophobicContact CB-CD2 3.72Å; Q176-L314 HydrophobicContact CG-CD2 3.67Å; Q176-L314 HydrophobicContact CG-CG 3.92Å; Q176-T315 PolarHBondContact NE2-OG1 3.18Å; Q176-Y408 WeakPolarHBondContact CA-OH 3.47Å; Q176-Y408 HydrophobicContact CB-CD1 4.32Å; Q176-Y408 HydrophobicContact CB-CE1 3.54Å; Q176-Y408 HydrophobicContact CG-CE1 4.1Å
177	L	97.6	Very high	94.8	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-68.6	-36.8	-179.8	-176.6	55.2	0	0	0	110.9	L60 I63 Y64 A67 Y158 W173 E174 S175 G181 F310 L314	L60-L177 HydrophobicContact CD1-CD1 3.77Å; I63-L177 HydrophobicContact CB-CD1 4.29Å; I63-L177 HydrophobicContact CG2-CD1 3.84Å; I63-L177 HydrophobicContact CG2-CD2 4.12Å; Y64-L177 HydrophobicContact CD1-CD1 4.31Å; Y64-L177 HydrophobicContact CD1-CD2 3.92Å; Y64-L177 HydrophobicContact CD1-CG 4.24Å; Y64-L177 HydrophobicContact CE1-CD1 4.1Å; Y64-L177 HydrophobicContact CE1-CD2 3.97Å; Y64-L177 HydrophobicContact CE1-CG 3.85Å; Y64-L177 HydrophobicContact CE2-CD1 4.33Å; A67-L177 HydrophobicContact CB-CD2 3.77Å; Y158-L177 HydrophobicContact CD1-CB 4.41Å; Y158-L177 HydrophobicContact CD1-CD2 3.96Å; Y158-L177 HydrophobicContact CD1-CG 4.12Å; Y158-L177 HydrophobicContact CD2-CD2 4.29Å; Y158-L177 HydrophobicContact CE1-CB 3.84Å; Y158-L177 HydrophobicContact CE1-CD2 3.55Å; Y158-L177 HydrophobicContact CE1-CG 3.89Å; Y158-L177 HydrophobicContact CE2-CD2 3.92Å; Y158-L177 HydrophobicContact CG-CD2 4.3Å; W173-L177 WeakPolarHBondContact O-CB 3.2Å; W173-L177 PolarHBondContact O-N 2.75Å; E174-L177 PolarHBondContact O-N 3.36Å; S175-L177 VanDerWaalsContact C-N 3.34Å; S175-L177 PolarHBondContact O-N 2.93Å; L177-G181 WeakPolarHBondContact O-CA 3.32Å; L177-G181 PolarHBondContact O-N 3.45Å; L177-F310 HydrophobicContact CD2-CE2 4.35Å; L177-L314 HydrophobicContact CB-CD2 3.88Å; L177-L314 HydrophobicContact CD1-CD1 3.87Å
178	L	97.3	Very high	94.8	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-63.8	-45.1	173.7	-69.9	172.8	0	0	0	112.3	W155 Y158 M159 V162 E174 S175 Q176 G181 F182 R403	W155-L178 PolarHBondContact NE1-O 3.5Å; Y158-L178 HydrophobicContact CD1-CD2 3.77Å; Y158-L178 HydrophobicContact CD1-CG 4.06Å; Y158-L178 HydrophobicContact CE1-CG 4.47Å; M159-L178 HydrophobicContact CB-CD2 3.72Å; M159-L178 HydrophobicContact CE-CD2 4.48Å; V162-L178 HydrophobicContact CB-CD1 4.14Å; V162-L178 HydrophobicContact CG1-CD1 3.93Å; V162-L178 HydrophobicContact CG2-CD1 4.22Å; E174-L178 WeakPolarHBondContact O-CG 3.21Å; E174-L178 PolarHBondContact O-N 3.37Å; S175-L178 PolarHBondContact O-N 2.97Å; Q176-L178 VanDerWaalsContact C-N 3.33Å; L178-G181 PolarHBondContact O-N 3.34Å; L178-F182 WeakPolarHBondContact O-CB 3.44Å; L178-F182 PolarHBondContact O-N 2.99Å; L178-R403 HydrophobicContact CB-CB 4.46Å; L178-R403 HydrophobicContact CD1-CB 4.14Å; L178-R403 HydrophobicContact CD1-CG 4.3Å
179	E	97.4	Very high	94.6	Very high	3 Å²	3	9.2 Å²	9.2	1%	0.014	5%	0.054	C	C	.	.	H	α-helix	trans	-65.9	-45.8	177.2	171.2	156.8	-162.9	0	0	112	S175 Q176 G181 F182 L183 L213 R216 I404 V405 N406 Y408	S175-E179 PolarHBondContact O-N 3.01Å; Q176-E179 PolarHBondContact O-N 3.46Å; E179-G181 VanDerWaalsContact C-N 3.33Å; E179-G181 PolarHBondContact O-N 2.76Å; E179-F182 PolarHBondContact O-N 3.01Å; E179-L183 PolarHBondContact O-N 2.84Å; E179-L183 VanDerWaalsContact O-N 3.15Å; E179-L213 HydrophobicContact CG-CD1 3.9Å; E179-L213 HydrophobicContact CG-CD2 4.2Å; E179-R216 IonicContact OE1-CZ 3.6Å; E179-R216 IonicContact OE1-NH1 2.85Å; E179-R216 PolarHBondContact OE1-NH1 2.81Å; E179-R216 IonicContact OE1-NH2 3.93Å; E179-R216 PolarHBondContact OE1-NH2 3.25Å; E179-R216 IonicContact OE2-NH1 3.48Å; E179-R216 PolarHBondContact OE2-NH1 3.21Å; E179-R216 VanDerWaalsContact OE2-NH1 3.16Å; E179-I404 WeakPolarHBondContact CB-O 3.45Å; E179-I404 WeakPolarHBondContact CG-O 3.3Å; E179-V405 WeakPolarHBondContact OE1-CA 3.31Å; E179-N406 PolarHBondContact OE2-N 2.8Å; E179-N406 PolarHBondContact OE2-ND2 2.7Å; E179-Y408 WeakPolarHBondContact OE2-CE2 3.31Å; E179-Y408 PolarHBondContact OE2-OH 3.48Å
180	T	97.9	Very high	94.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.7	-41.9	177	-52.1	0	0	0	0	111	L60 Q176 L183 G184 F210 L213 L314 V317	L60-T180 HydrophobicContact CD1-CG2 3.86Å; Q176-T180 VanDerWaalsContact O-CB 3.29Å; Q176-T180 WeakPolarHBondContact O-CB 3.31Å; Q176-T180 PolarHBondContact O-N 3.04Å; Q176-T180 PolarHBondContact O-OG1 2.88Å; T180-L183 PolarHBondContact O-N 3.21Å; T180-G184 PolarHBondContact O-N 3.24Å; T180-F210 HydrophobicContact CG2-CE1 3.73Å; T180-L213 WeakPolarHBondContact OG1-CD2 3.18Å; T180-L314 HydrophobicContact CG2-CD1 4.1Å; T180-V317 HydrophobicContact CG2-CB 4.4Å; T180-V317 HydrophobicContact CG2-CG1 3.95Å
181	G	97.8	Very high	94.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-59.3	-48.6	175.2	0	0	0	0	0	113	Y64 L177 L178 E179 L183 G184 I185	Y64-G181 VanDerWaalsContact OH-CA 3.22Å; Y64-G181 WeakPolarHBondContact OH-CA 3.29Å; L177-G181 WeakPolarHBondContact O-CA 3.32Å; L177-G181 PolarHBondContact O-N 3.45Å; L178-G181 PolarHBondContact O-N 3.34Å; E179-G181 VanDerWaalsContact C-N 3.33Å; E179-G181 PolarHBondContact O-N 2.76Å; G181-L183 PolarHBondContact O-N 3.3Å; G181-G184 CarbonylContact O-C 3.6Å; G181-G184 WeakPolarHBondContact O-CA 3.4Å; G181-G184 PolarHBondContact O-N 2.97Å; G181-I185 PolarHBondContact O-N 3.35Å
182	F	97.8	Very high	94.3	Very high	22 Å²	22	21.9 Å²	21.9	10%	0.096	10%	0.104	C	C	.	.	H	α-helix	trans	-58.2	-46.9	178	-179.5	-101	0	0	0	111.6	W155 L178 E179 G184 I185 F186 L373 L376 I404	W155-F182 HydrophobicContact CZ2-CD2 4.01Å; L178-F182 WeakPolarHBondContact O-CB 3.44Å; L178-F182 PolarHBondContact O-N 2.99Å; E179-F182 PolarHBondContact O-N 3.01Å; F182-G184 VanDerWaalsContact C-N 3.28Å; F182-G184 PolarHBondContact O-N 3.35Å; F182-I185 HydrophobicContact CD2-CD1 4.31Å; F182-I185 WeakPolarHBondContact O-CB 3.34Å; F182-I185 PolarHBondContact O-N 3.48Å; F182-F186 HydrophobicContact CD1-CE2 4.35Å; F182-F186 HydrophobicContact CD2-CE2 4.37Å; F182-F186 AromaticContact CE1-CE2 3.92Å; F182-F186 HydrophobicContact CE1-CE2 3.92Å; F182-F186 AromaticContact CE2-CE2 3.92Å; F182-F186 HydrophobicContact CE2-CE2 3.92Å; F182-F186 HydrophobicContact CE2-CZ 4.43Å; F182-F186 AromaticContact CZ-CE2 3.68Å; F182-F186 HydrophobicContact CZ-CE2 3.68Å; F182-F186 HydrophobicContact CZ-CZ 4.19Å; F182-F186 VanDerWaalsContact O-CD2 3.27Å; F182-F186 WeakPolarHBondContact O-CD2 3.5Å; F182-L373 HydrophobicContact CD1-CD1 4.49Å; F182-L373 HydrophobicContact CE1-CD1 3.53Å; F182-L373 HydrophobicContact CZ-CD1 4.02Å; F182-L376 HydrophobicContact CZ-CD2 4.26Å; F182-I404 HydrophobicContact CD1-CG1 4.5Å; F182-I404 HydrophobicContact CD1-CG2 3.5Å; F182-I404 HydrophobicContact CD2-CD1 4.44Å; F182-I404 HydrophobicContact CD2-CG1 4.33Å; F182-I404 HydrophobicContact CE1-CG2 3.49Å; F182-I404 VanDerWaalsContact CE1-CG2 3.49Å; F182-I404 HydrophobicContact CE2-CD1 4.08Å; F182-I404 HydrophobicContact CE2-CG1 4.44Å; F182-I404 HydrophobicContact CG-CG1 4.35Å; F182-I404 HydrophobicContact CG-CG2 4.13Å; F182-I404 HydrophobicContact CZ-CD1 4.11Å; F182-I404 HydrophobicContact CZ-CG2 4.14Å
183	L	97.4	Very high	94.3	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.031	12%	0.123	C	C	.	.	H	α-helix	trans	-62.2	-37	173.8	-66.6	174.8	0	0	0	112	E179 T180 G181 I185 F186 V206 F210 L213	E179-L183 PolarHBondContact O-N 2.84Å; E179-L183 VanDerWaalsContact O-N 3.15Å; T180-L183 PolarHBondContact O-N 3.21Å; G181-L183 PolarHBondContact O-N 3.3Å; L183-I185 VanDerWaalsContact C-N 3.29Å; L183-I185 PolarHBondContact O-N 3.42Å; L183-F186 PolarHBondContact O-N 3.27Å; L183-V206 WeakPolarHBondContact O-CG1 3.34Å; L183-F210 HydrophobicContact CB-CD2 4.16Å; L183-F210 HydrophobicContact CB-CE1 4.28Å; L183-F210 HydrophobicContact CB-CE2 3.59Å; L183-F210 HydrophobicContact CB-CZ 3.68Å; L183-F210 HydrophobicContact CD1-CD1 4.42Å; L183-F210 HydrophobicContact CD1-CD2 4.42Å; L183-F210 HydrophobicContact CD1-CG 4.32Å; L183-L213 HydrophobicContact CD1-CB 4.46Å; L183-L213 HydrophobicContact CD1-CD2 4.25Å
184	G	96.8	Very high	94.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.5	-32	176.6	0	0	0	0	0	114.2	T180 G181 F182 F186 L187	T180-G184 PolarHBondContact O-N 3.24Å; G181-G184 CarbonylContact O-C 3.6Å; G181-G184 WeakPolarHBondContact O-CA 3.4Å; G181-G184 PolarHBondContact O-N 2.97Å; F182-G184 VanDerWaalsContact C-N 3.28Å; F182-G184 PolarHBondContact O-N 3.35Å; G184-F186 VanDerWaalsContact C-N 3.27Å; G184-F186 PolarHBondContact O-N 3.47Å; G184-L187 WeakPolarHBondContact O-CB 3.23Å; G184-L187 PolarHBondContact O-N 3.16Å; G184-L187 VanDerWaalsContact O-N 3.16Å
185	I	96.9	Very high	93.8	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.036	16%	0.155	C	C	.	.	H	α-helix	trans	-54.6	-48.7	173.8	-61.7	168.1	0	0	0	109.6	M148 M151 T152 W155 G181 F182 L183 L187 S188	M148-I185 HydrophobicContact CB-CG2 4.03Å; M148-I185 HydrophobicContact CE-CG2 3.93Å; M148-I185 HydrophobicContact CG-CG2 4.18Å; M148-I185 WeakPolarHBondContact CG-O 3.24Å; M151-I185 HydrophobicContact CB-CB 4.33Å; M151-I185 HydrophobicContact CB-CG1 3.94Å; T152-I185 WeakPolarHBondContact OG1-CG2 3.4Å; W155-I185 HydrophobicContact CB-CD1 4.13Å; W155-I185 HydrophobicContact CD2-CD1 4.35Å; W155-I185 HydrophobicContact CG-CD1 4.19Å; G181-I185 PolarHBondContact O-N 3.35Å; F182-I185 HydrophobicContact CD2-CD1 4.31Å; F182-I185 WeakPolarHBondContact O-CB 3.34Å; F182-I185 PolarHBondContact O-N 3.48Å; L183-I185 VanDerWaalsContact C-N 3.29Å; L183-I185 PolarHBondContact O-N 3.42Å; I185-L187 VanDerWaalsContact C-N 3.26Å; I185-L187 PolarHBondContact O-N 3.3Å; I185-S188 PolarHBondContact O-N 3.31Å
186	F	95.6	Very high	93.6	Very high	29 Å²	29	32.9 Å²	32.9	13%	0.127	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	1.3	-175.5	-57.3	-87.6	0	0	0	114	M148 F182 L183 G184 S188 V206 R366 V369 L373	M148-F186 HydrophobicContact CE-CD1 3.94Å; M148-F186 HydrophobicContact CE-CE1 3.95Å; F182-F186 HydrophobicContact CD1-CE2 4.35Å; F182-F186 HydrophobicContact CD2-CE2 4.37Å; F182-F186 AromaticContact CE1-CE2 3.92Å; F182-F186 HydrophobicContact CE1-CE2 3.92Å; F182-F186 AromaticContact CE2-CE2 3.92Å; F182-F186 HydrophobicContact CE2-CE2 3.92Å; F182-F186 HydrophobicContact CE2-CZ 4.43Å; F182-F186 AromaticContact CZ-CE2 3.68Å; F182-F186 HydrophobicContact CZ-CE2 3.68Å; F182-F186 HydrophobicContact CZ-CZ 4.19Å; F182-F186 VanDerWaalsContact O-CD2 3.27Å; F182-F186 WeakPolarHBondContact O-CD2 3.5Å; L183-F186 PolarHBondContact O-N 3.27Å; G184-F186 VanDerWaalsContact C-N 3.27Å; G184-F186 PolarHBondContact O-N 3.47Å; F186-S188 VanDerWaalsContact C-N 3.34Å; F186-V206 HydrophobicContact CB-CG1 4.5Å; F186-V206 HydrophobicContact CB-CG2 3.59Å; F186-R366 PolarHBondContact O-NH2 3.41Å; F186-V369 HydrophobicContact CD1-CG1 4.1Å; F186-V369 HydrophobicContact CE1-CG1 3.93Å; F186-L373 HydrophobicContact CB-CD2 3.72Å; F186-L373 HydrophobicContact CD1-CD2 4Å; F186-L373 HydrophobicContact CD2-CD1 3.94Å; F186-L373 HydrophobicContact CD2-CD2 3.62Å; F186-L373 HydrophobicContact CD2-CG 4.41Å; F186-L373 HydrophobicContact CE2-CD1 3.73Å; F186-L373 HydrophobicContact CE2-CD2 4.22Å; F186-L373 HydrophobicContact CG-CD2 3.51Å; F186-L373 HydrophobicContact CZ-CD1 4.11Å
187	L	92.9	Very high	93.1	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-26.7	166.9	-73.1	177.8	0	0	0	112.4	R53 L56 L57 G184 I185 T202 V206 F210	R53-L187 WeakPolarHBondContact CD-O 3.46Å; R53-L187 HydrophobicContact CG-CB 4.27Å; L56-L187 HydrophobicContact CB-CD1 3.95Å; L56-L187 HydrophobicContact CD1-CD1 4.11Å; L57-L187 HydrophobicContact CD2-CB 4.17Å; L57-L187 HydrophobicContact CD2-CD1 4.32Å; L57-L187 HydrophobicContact CG-CB 4.46Å; L57-L187 HydrophobicContact CG-CD1 4.41Å; G184-L187 WeakPolarHBondContact O-CB 3.23Å; G184-L187 PolarHBondContact O-N 3.16Å; G184-L187 VanDerWaalsContact O-N 3.16Å; I185-L187 VanDerWaalsContact C-N 3.26Å; I185-L187 PolarHBondContact O-N 3.3Å; L187-T202 HydrophobicContact CD2-CG2 4.03Å; L187-V206 HydrophobicContact CD2-CB 4.3Å; L187-V206 HydrophobicContact CD2-CG1 3.54Å; L187-V206 HydrophobicContact CG-CG1 3.82Å; L187-F210 HydrophobicContact CD1-CE2 3.61Å; L187-F210 HydrophobicContact CD1-CZ 3.85Å; L187-F210 HydrophobicContact CD2-CE2 4.19Å; L187-F210 HydrophobicContact CG-CE2 3.88Å; L187-F210 HydrophobicContact CG-CZ 4.49Å
188	S	91.3	Very high	92.4	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-97.4	154.8	-170.2	-59.4	0	0	0	0	112.5	A146 M148 I185 F186 R366	A146-S188 WeakPolarHBondContact CB-OG 3.15Å; M148-S188 WeakPolarHBondContact CG-O 3.31Å; I185-S188 PolarHBondContact O-N 3.31Å; F186-S188 VanDerWaalsContact C-N 3.34Å; S188-R366 PolarHBondContact O-NH2 3.46Å
189	P	90	Very high	91.7	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.026	21%	0.212	C	C	.	.			trans	-66.3	159.4	168.4	30.6	-37.5	0	0	0	110.8	N147 M148 T192 P197 T200	N147-P189 CarbonylContact C-O 3.27Å; N147-P189 WeakPolarHBondContact CA-O 3.32Å; N147-P189 WeakPolarHBondContact CB-O 3.29Å; M148-P189 PolarHBondContact N-O 3.47Å; P189-T192 WeakPolarHBondContact CG-O 3.33Å; P189-P197 HydrophobicContact CB-CB 4.37Å; P189-P197 HydrophobicContact CB-CG 4.48Å; P189-P197 HydrophobicContact CG-CB 4.1Å; P189-P197 HydrophobicContact CG-CG 3.96Å; P189-T200 HydrophobicContact CB-CG2 4.06Å
190	L	89.5	Confident	91	Very high	86 Å²	86	45.6 Å²	45.6	45%	0.45	22%	0.22	S	C	.	.	S	Bend	trans	-65.7	-54	-177.9	-177.2	59.3	0	0	0	112.5	M148	M148-L190 HydrophobicContact CB-CD1 3.96Å; M148-L190 HydrophobicContact CG-CD1 4.43Å; M148-L190 HydrophobicContact SD-CB 4.15Å; M148-L190 HydrophobicContact SD-CD1 3.95Å
191	W	88.3	Confident	90.5	Very high	189 Å²	189	49.6 Å²	49.6	72%	0.716	25%	0.246	S	C	*	.	S	Bend	trans	-110.5	-35.6	-173.2	-62.6	109.5	0	0	0	113.9	N147 I149 L193	N147-W191 PolarHBondContact ND2-O 3.25Å; I149-W191 HydrophobicContact CD1-CD2 4.2Å; I149-W191 HydrophobicContact CD1-CE3 3.39Å; I149-W191 HydrophobicContact CD1-CH2 3.79Å; I149-W191 HydrophobicContact CD1-CZ3 3.17Å; W191-L193 PolarHBondContact O-N 3.21Å
192	T	88.1	Confident	90.1	Very high	81 Å²	81	50.3 Å²	50.3	50%	0.497	25%	0.251	S	S	.	.			trans	-70.9	122.6	-169	-49.5	0	0	0	0	113	P189 S194	P189-T192 WeakPolarHBondContact CG-O 3.33Å; T192-S194 PolarHBondContact O-N 2.8Å
193	L	90.3	Very high	89.9	Confident	92 Å²	92	49.9 Å²	49.9	48%	0.482	25%	0.25	S	C	.	.			trans	-89.3	87.6	169.8	-71.8	170	0	0	0	110.2	F139 N147 L150 W191	F139-L193 HydrophobicContact CE1-CD2 4.32Å; N147-L193 HydrophobicContact CB-CD2 4.18Å; L150-L193 HydrophobicContact CD1-CD2 3.67Å; W191-L193 PolarHBondContact O-N 3.21Å
194	S	88.9	Confident	89.7	Confident	41 Å²	41	53.6 Å²	53.6	29%	0.287	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-142	147.1	176	177.5	0	0	0	0	111.1	T192 L196 P197	T192-S194 PolarHBondContact O-N 2.8Å; S194-L196 VanDerWaalsContact C-N 3.31Å; S194-L196 PolarHBondContact OG-N 3.43Å; S194-P197 WeakPolarHBondContact O-CD 3.47Å
195	R	88.8	Confident	89.6	Confident	114 Å²	114	56.5 Å²	56.5	43%	0.43	28%	0.282	S	S	.	.	S	Bend	trans	-66.3	-36.2	170.6	-68.9	179.1	-82.9	-172.9	-2.1	111.6	R53 I54 T143 L339	R53-R195 PolarHBondContact NH2-O 3.13Å; I54-R195 HydrophobicContact CD1-CB 4.21Å; T143-R195 VanDerWaalsContact O-CD 3.31Å; T143-R195 WeakPolarHBondContact O-CD 3.39Å; T143-R195 WeakPolarHBondContact O-CG 3.48Å; R195-L339 HydrophobicContact CB-CD2 4.23Å
196	L	88.8	Confident	89.6	Confident	11 Å²	11	56.1 Å²	56.1	6%	0.058	28%	0.28	C	S	.	.	S	Bend	trans	-131.5	71.3	-176.6	-66.2	176.1	0	0	0	110.8	W50 I54 S194 K198 L339 Q342 V343	W50-L196 HydrophobicContact CB-CD2 3.96Å; W50-L196 HydrophobicContact CE3-CD2 4.16Å; I54-L196 HydrophobicContact CD1-CD2 3.92Å; I54-L196 HydrophobicContact CD1-CG 4.31Å; S194-L196 VanDerWaalsContact C-N 3.31Å; S194-L196 PolarHBondContact OG-N 3.43Å; L196-K198 PolarHBondContact O-N 3.12Å; L196-L339 HydrophobicContact CD1-CD2 3.71Å; L196-L339 HydrophobicContact CG-CD2 4.09Å; L196-Q342 HydrophobicContact CD1-CB 3.79Å; L196-V343 HydrophobicContact CD1-CG2 3.84Å; L196-V343 HydrophobicContact CD2-CG2 3.81Å
197	P	87.1	Confident	89.7	Confident	8 Å²	8	54.8 Å²	54.8	5%	0.052	27%	0.274	C	S	.	.			trans	-66.7	97.6	174.8	27.7	-41	0	0	0	111.5	W50 P189 S194 N199 T200	W50-P197 WeakPolarHBondContact CH2-O 3.41Å; W50-P197 VanDerWaalsContact CZ3-O 3.22Å; W50-P197 WeakPolarHBondContact CZ3-O 3.28Å; P189-P197 HydrophobicContact CB-CB 4.37Å; P189-P197 HydrophobicContact CB-CG 4.48Å; P189-P197 HydrophobicContact CG-CB 4.1Å; P189-P197 HydrophobicContact CG-CG 3.96Å; S194-P197 WeakPolarHBondContact O-CD 3.47Å; P197-N199 PolarHBondContact O-N 2.91Å; P197-N199 VanDerWaalsContact O-N 3.08Å; P197-T200 VanDerWaalsContact CB-OG1 3.22Å; P197-T200 WeakPolarHBondContact CB-OG1 3.36Å; P197-T200 VanDerWaalsContact CG-OG1 3.23Å; P197-T200 WeakPolarHBondContact CG-OG1 3.47Å; P197-T200 CarbonylContact O-C 3.6Å; P197-T200 PolarHBondContact O-N 2.87Å; P197-T200 PolarHBondContact O-OG1 2.9Å
198	K	82.7	Confident	89.9	Confident	122 Å²	122	59.4 Å²	59.4	53%	0.53	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-31.7	-176.4	-64.6	-169.2	174.8	-165.5	0	114	L196 I346 E349	L196-K198 PolarHBondContact O-N 3.12Å; K198-I346 HydrophobicContact CD-CG1 4.36Å; K198-I346 HydrophobicContact CG-CD1 4.02Å; K198-I346 HydrophobicContact CG-CG1 4.2Å; K198-E349 IonicContact NZ-OE1 2.82Å; K198-E349 PolarHBondContact NZ-OE1 3.03Å
199	N	81.6	Confident	90.2	Very high	110 Å²	110	59.8 Å²	59.8	59%	0.588	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-5	-177.4	-63.3	-31.4	0	0	0	114	P197 K357	P197-N199 PolarHBondContact O-N 2.91Å; P197-N199 VanDerWaalsContact O-N 3.08Å; N199-K357 PolarHBondContact OD1-NZ 3.02Å
200	T	83.6	Confident	90.6	Very high	31 Å²	31	59.6 Å²	59.6	19%	0.19	29%	0.294	C	S	.	.	S	Bend	trans	-130	83.5	179.6	58.7	0	0	0	0	110	R53 P189 P197	R53-T200 PolarHBondContact NH1-O 3.03Å; P189-T200 HydrophobicContact CB-CG2 4.06Å; P197-T200 VanDerWaalsContact CB-OG1 3.22Å; P197-T200 WeakPolarHBondContact CB-OG1 3.36Å; P197-T200 VanDerWaalsContact CG-OG1 3.23Å; P197-T200 WeakPolarHBondContact CG-OG1 3.47Å; P197-T200 CarbonylContact O-C 3.6Å; P197-T200 PolarHBondContact O-N 2.87Å; P197-T200 PolarHBondContact O-OG1 2.9Å
201	P	86.1	Confident	91	Very high	85 Å²	85	55.6 Å²	55.6	55%	0.552	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-63	154.2	173.6	27.5	-34.5	0	0	0	111	W50 S203	W50-P201 HydrophobicContact CH2-CB 4.06Å; W50-P201 HydrophobicContact CZ2-CB 3.83Å; P201-S203 PolarHBondContact O-N 3.32Å
202	T	90.6	Very high	91.4	Very high	15 Å²	15	49.2 Å²	49.2	9%	0.092	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-63.1	125.4	179.3	-52.9	0	0	0	0	110.5	F49 R53 L187 Q204 L207	F49-T202 HydrophobicContact CB-CG2 4.02Å; F49-T202 PolarHBondContact O-OG1 2.86Å; R53-T202 HydrophobicContact CB-CG2 4.4Å; L187-T202 HydrophobicContact CD2-CG2 4.03Å; T202-Q204 PolarHBondContact O-N 3.45Å; T202-L207 HydrophobicContact CG2-CD1 3.91Å; T202-L207 HydrophobicContact CG2-CD2 4.14Å; T202-L207 HydrophobicContact CG2-CG 3.97Å
203	S	92.3	Very high	91.9	Very high	12 Å²	12	45.3 Å²	45.3	8%	0.084	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-68.8	125.2	-178.9	176.1	0	0	0	0	111.4	P201 I205 V206 L207 N370	P201-S203 PolarHBondContact O-N 3.32Å; S203-I205 PolarHBondContact O-N 3.03Å; S203-I205 PolarHBondContact OG-N 2.98Å; S203-V206 PolarHBondContact O-N 2.96Å; S203-L207 PolarHBondContact O-N 3.5Å; S203-L207 VanDerWaalsContact O-N 3.16Å; S203-N370 VanDerWaalsContact OG-CG 3.31Å; S203-N370 PolarHBondContact OG-ND2 3.17Å; S203-N370 PolarHBondContact OG-OD1 2.86Å
204	Q	93.2	Very high	92.2	Very high	84 Å²	84	41 Å²	41	39%	0.393	20%	0.202	S	C	.	.	H	α-helix	trans	-63.2	-31.4	174	-67	-63.1	-28.4	0	0	112.1	F49 T202 L207 W208	F49-Q204 VanDerWaalsContact CE2-NE2 3.34Å; T202-Q204 PolarHBondContact O-N 3.45Å; Q204-L207 PolarHBondContact O-N 3.3Å; Q204-W208 WeakPolarHBondContact O-CB 3.47Å; Q204-W208 VanDerWaalsContact O-CD1 3.32Å; Q204-W208 PolarHBondContact O-N 3.09Å
205	I	96.1	Very high	92.7	Very high	61 Å²	61	39.7 Å²	39.7	31%	0.313	19%	0.192	S	C	.	.	H	α-helix	trans	-64.6	-44.2	178.2	-62.1	175.3	0	0	0	109.9	S203 W208 G209 N370 I371	S203-I205 PolarHBondContact O-N 3.03Å; S203-I205 PolarHBondContact OG-N 2.98Å; I205-W208 CarbonylContact O-C 3.06Å; I205-W208 PolarHBondContact O-N 3.33Å; I205-G209 PolarHBondContact O-N 3.49Å; I205-N370 HydrophobicContact CD1-CB 4.16Å; I205-N370 WeakPolarHBondContact CD1-O 3.32Å; I205-N370 WeakPolarHBondContact CG2-O 3.46Å; I205-I371 HydrophobicContact CD1-CG1 4Å
206	V	96.1	Very high	93	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.5	-42.7	178.5	179.9	0	0	0	0	110.8	L183 F186 L187 S203 W208 G209 F210 L373	L183-V206 WeakPolarHBondContact O-CG1 3.34Å; F186-V206 HydrophobicContact CB-CG1 4.5Å; F186-V206 HydrophobicContact CB-CG2 3.59Å; L187-V206 HydrophobicContact CD2-CB 4.3Å; L187-V206 HydrophobicContact CD2-CG1 3.54Å; L187-V206 HydrophobicContact CG-CG1 3.82Å; S203-V206 PolarHBondContact O-N 2.96Å; V206-W208 VanDerWaalsContact C-N 3.32Å; V206-W208 PolarHBondContact O-N 2.98Å; V206-G209 WeakPolarHBondContact O-CA 3.39Å; V206-G209 PolarHBondContact O-N 3.03Å; V206-F210 HydrophobicContact CG1-CD2 4.09Å; V206-F210 HydrophobicContact CG1-CE2 3.84Å; V206-F210 WeakPolarHBondContact O-CD2 3.32Å; V206-F210 PolarHBondContact O-N 3.38Å; V206-L373 HydrophobicContact CG2-CD2 3.78Å
207	L	96.9	Very high	93.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.6	-39.3	174.9	-68.6	170.8	0	0	0	112.5	F49 L56 T202 S203 Q204 G209 F210 R211 A321	F49-L207 HydrophobicContact CB-CD1 3.63Å; F49-L207 HydrophobicContact CD1-CD1 3.69Å; F49-L207 HydrophobicContact CD1-CD2 4.38Å; F49-L207 HydrophobicContact CD2-CD1 3.27Å; F49-L207 HydrophobicContact CE1-CD1 4.15Å; F49-L207 HydrophobicContact CE2-CD1 3.78Å; F49-L207 HydrophobicContact CG-CD1 3.23Å; F49-L207 HydrophobicContact CG-CD2 4.49Å; F49-L207 HydrophobicContact CG-CG 4.48Å; F49-L207 HydrophobicContact CZ-CD1 4.2Å; L56-L207 HydrophobicContact CD1-CD2 4.06Å; T202-L207 HydrophobicContact CG2-CD1 3.91Å; T202-L207 HydrophobicContact CG2-CD2 4.14Å; T202-L207 HydrophobicContact CG2-CG 3.97Å; S203-L207 PolarHBondContact O-N 3.5Å; S203-L207 VanDerWaalsContact O-N 3.16Å; Q204-L207 PolarHBondContact O-N 3.3Å; L207-G209 VanDerWaalsContact C-N 3.31Å; L207-F210 PolarHBondContact O-N 3.31Å; L207-R211 WeakPolarHBondContact O-CG 3.36Å; L207-R211 PolarHBondContact O-N 2.72Å; L207-A321 HydrophobicContact CD2-CB 4.09Å
208	W	97.1	Very high	93.8	Very high	102 Å²	102	34.1 Å²	34.1	39%	0.386	17%	0.17	S	C	.	.	H	α-helix	trans	-67.1	-32	171.4	-87.2	111.9	0	0	0	112.5	Q204 I205 V206 R211 W212 F282	Q204-W208 WeakPolarHBondContact O-CB 3.47Å; Q204-W208 VanDerWaalsContact O-CD1 3.32Å; Q204-W208 PolarHBondContact O-N 3.09Å; I205-W208 CarbonylContact O-C 3.06Å; I205-W208 PolarHBondContact O-N 3.33Å; V206-W208 VanDerWaalsContact C-N 3.32Å; V206-W208 PolarHBondContact O-N 2.98Å; W208-R211 HydrophobicContact CE3-CB 3.99Å; W208-R211 HydrophobicContact CZ3-CB 4.41Å; W208-R211 PolarHBondContact O-N 3.18Å; W208-W212 VanDerWaalsContact O-CB 3.24Å; W208-W212 WeakPolarHBondContact O-CB 3.4Å; W208-W212 PolarHBondContact O-N 3.04Å; W208-F282 HydrophobicContact CH2-CD1 4.4Å; W208-F282 HydrophobicContact CZ3-CD1 4.37Å; W208-F282 HydrophobicContact CZ3-CE1 4.18Å
209	G	97.8	Very high	94.5	Very high	8 Å²	8	29.3 Å²	29.3	8%	0.082	15%	0.15	C	C	.	.	H	α-helix	trans	-58	-47.4	168.8	0	0	0	0	0	112.4	I205 V206 L207 W212 L213	I205-G209 PolarHBondContact O-N 3.49Å; V206-G209 WeakPolarHBondContact O-CA 3.39Å; V206-G209 PolarHBondContact O-N 3.03Å; L207-G209 VanDerWaalsContact C-N 3.31Å; G209-W212 PolarHBondContact O-N 2.93Å; G209-L213 WeakPolarHBondContact O-CB 3.36Å; G209-L213 PolarHBondContact O-N 3.18Å
210	F	98.1	Very high	95.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.1	-40.8	174.1	-79.6	-82.7	0	0	0	112.3	L56 T180 L183 L187 V206 L207 W212 L213 I214 V317 P318 A321	L56-F210 HydrophobicContact CD2-CD1 4.42Å; L56-F210 HydrophobicContact CD2-CE1 4.43Å; T180-F210 HydrophobicContact CG2-CE1 3.73Å; L183-F210 HydrophobicContact CB-CD2 4.16Å; L183-F210 HydrophobicContact CB-CE1 4.28Å; L183-F210 HydrophobicContact CB-CE2 3.59Å; L183-F210 HydrophobicContact CB-CZ 3.68Å; L183-F210 HydrophobicContact CD1-CD1 4.42Å; L183-F210 HydrophobicContact CD1-CD2 4.42Å; L183-F210 HydrophobicContact CD1-CG 4.32Å; L187-F210 HydrophobicContact CD1-CE2 3.61Å; L187-F210 HydrophobicContact CD1-CZ 3.85Å; L187-F210 HydrophobicContact CD2-CE2 4.19Å; L187-F210 HydrophobicContact CG-CE2 3.88Å; L187-F210 HydrophobicContact CG-CZ 4.49Å; V206-F210 HydrophobicContact CG1-CD2 4.09Å; V206-F210 HydrophobicContact CG1-CE2 3.84Å; V206-F210 WeakPolarHBondContact O-CD2 3.32Å; V206-F210 PolarHBondContact O-N 3.38Å; L207-F210 PolarHBondContact O-N 3.31Å; F210-W212 VanDerWaalsContact C-N 3.34Å; F210-L213 WeakPolarHBondContact O-CB 3.34Å; F210-L213 PolarHBondContact O-N 2.78Å; F210-I214 PolarHBondContact O-N 3.44Å; F210-V317 HydrophobicContact CE1-CG1 4.47Å; F210-P318 HydrophobicContact CB-CB 4.3Å; F210-P318 HydrophobicContact CD1-CB 3.98Å; F210-P318 WeakPolarHBondContact O-CB 3.28Å; F210-A321 HydrophobicContact CB-CB 3.53Å; F210-A321 HydrophobicContact CG-CB 4.34Å
211	R	97.9	Very high	95.6	Very high	2 Å²	2	23 Å²	23	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-63.7	-40.4	175.5	-70.3	171.1	-170.8	151	7.3	111.9	L207 W208 L213 I214 F215 L281 R288 A321	L207-R211 WeakPolarHBondContact O-CG 3.36Å; L207-R211 PolarHBondContact O-N 2.72Å; W208-R211 HydrophobicContact CE3-CB 3.99Å; W208-R211 HydrophobicContact CZ3-CB 4.41Å; W208-R211 PolarHBondContact O-N 3.18Å; R211-L213 VanDerWaalsContact C-N 3.32Å; R211-I214 WeakPolarHBondContact O-CG2 3.48Å; R211-F215 WeakPolarHBondContact O-CB 3.45Å; R211-F215 PolarHBondContact O-N 3.22Å; R211-L281 HydrophobicContact CB-CD1 4.4Å; R211-L281 HydrophobicContact CB-CD2 4.25Å; R211-L281 HydrophobicContact CG-CD2 4.14Å; R211-L281 WeakPolarHBondContact O-CD1 3.3Å; R211-R288 VanDerWaalsContact NH1-NH1 3.11Å; R211-A321 HydrophobicContact CG-CB 4.36Å; R211-A321 PolarHBondContact NE-O 3.29Å; R211-A321 PolarHBondContact NH2-O 3.47Å
212	W	97.7	Very high	96	Very high	54 Å²	54	18.9 Å²	18.9	21%	0.205	9%	0.089	C	C	.	.	H	α-helix	trans	-65.4	-37.3	174.5	176.2	-126.2	0	0	0	111.8	W208 G209 F210 F215 R216 S381 V385	W208-W212 VanDerWaalsContact O-CB 3.24Å; W208-W212 WeakPolarHBondContact O-CB 3.4Å; W208-W212 PolarHBondContact O-N 3.04Å; G209-W212 PolarHBondContact O-N 2.93Å; F210-W212 VanDerWaalsContact C-N 3.34Å; W212-F215 HydrophobicContact CE3-CB 4.27Å; W212-F215 AromaticContact CE3-CD1 3.71Å; W212-F215 HydrophobicContact CE3-CD1 3.71Å; W212-F215 HydrophobicContact CE3-CE1 4.46Å; W212-F215 HydrophobicContact CE3-CG 4.26Å; W212-F215 HydrophobicContact CH2-CD1 4.14Å; W212-F215 HydrophobicContact CH2-CE1 4.3Å; W212-F215 AromaticContact CZ3-CD1 3.28Å; W212-F215 HydrophobicContact CZ3-CD1 3.28Å; W212-F215 AromaticContact CZ3-CE1 3.63Å; W212-F215 HydrophobicContact CZ3-CE1 3.63Å; W212-F215 HydrophobicContact CZ3-CG 4.21Å; W212-F215 PolarHBondContact O-N 3.03Å; W212-R216 HydrophobicContact CD2-CG 4.1Å; W212-R216 VanDerWaalsContact CE2-CD 3.47Å; W212-R216 HydrophobicContact CE3-CG 4.34Å; W212-R216 HydrophobicContact CH2-CG 3.9Å; W212-R216 HydrophobicContact CZ2-CG 3.63Å; W212-R216 HydrophobicContact CZ3-CG 4.26Å; W212-R216 WeakPolarHBondContact O-CG 3.13Å; W212-R216 PolarHBondContact O-N 2.82Å; W212-R216 PolarHBondContact O-NE 3.47Å; W212-S381 PolarHBondContact NE1-OG 2.87Å; W212-V385 HydrophobicContact CH2-CG2 3.9Å; W212-V385 HydrophobicContact CZ2-CG2 3.82Å
213	L	97.8	Very high	96.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.4	-53.9	174	177.4	57.9	0	0	0	111.8	E179 T180 L183 G209 F210 R211 F215 R216 I217 P318 Y408	E179-L213 HydrophobicContact CG-CD1 3.9Å; E179-L213 HydrophobicContact CG-CD2 4.2Å; T180-L213 WeakPolarHBondContact OG1-CD2 3.18Å; L183-L213 HydrophobicContact CD1-CB 4.46Å; L183-L213 HydrophobicContact CD1-CD2 4.25Å; G209-L213 WeakPolarHBondContact O-CB 3.36Å; G209-L213 PolarHBondContact O-N 3.18Å; F210-L213 WeakPolarHBondContact O-CB 3.34Å; F210-L213 PolarHBondContact O-N 2.78Å; R211-L213 VanDerWaalsContact C-N 3.32Å; L213-F215 VanDerWaalsContact C-N 3.3Å; L213-F215 PolarHBondContact O-N 3.25Å; L213-R216 PolarHBondContact O-N 3.13Å; L213-I217 HydrophobicContact CD1-CD1 3.72Å; L213-I217 HydrophobicContact CD1-CG1 4.09Å; L213-I217 HydrophobicContact CG-CD1 3.73Å; L213-I217 VanDerWaalsContact O-CG1 3.29Å; L213-I217 WeakPolarHBondContact O-CG1 3.15Å; L213-I217 PolarHBondContact O-N 3.18Å; L213-P318 HydrophobicContact CB-CB 4.43Å; L213-P318 HydrophobicContact CD2-CB 4.22Å; L213-P318 HydrophobicContact CD2-CG 4.4Å; L213-P318 HydrophobicContact CG-CB 4.32Å; L213-P318 HydrophobicContact CG-CG 4.44Å; L213-Y408 HydrophobicContact CD1-CD2 4.47Å; L213-Y408 HydrophobicContact CD1-CE2 3.61Å
214	I	97.9	Very high	96.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.2	-36.5	178.1	-174.3	63.1	0	0	0	112.1	F210 R211 R216 I217 M218 L281 Q295 T315 P318 S319	F210-I214 PolarHBondContact O-N 3.44Å; R211-I214 WeakPolarHBondContact O-CG2 3.48Å; I214-R216 PolarHBondContact O-N 2.99Å; I214-I217 PolarHBondContact O-N 3.38Å; I214-M218 HydrophobicContact CD1-CG 3.66Å; I214-M218 HydrophobicContact CD1-SD 4.11Å; I214-M218 HydrophobicContact CG1-CG 4.08Å; I214-M218 WeakPolarHBondContact O-CG 3.4Å; I214-M218 PolarHBondContact O-N 2.86Å; I214-L281 HydrophobicContact CG2-CD1 4.23Å; I214-Q295 HydrophobicContact CG1-CG 4.25Å; I214-T315 HydrophobicContact CD1-CG2 3.58Å; I214-P318 HydrophobicContact CB-CB 3.97Å; I214-P318 HydrophobicContact CB-CG 4.05Å; I214-P318 HydrophobicContact CD1-CG 4.35Å; I214-S319 WeakPolarHBondContact CD1-OG 3.4Å; I214-S319 WeakPolarHBondContact CG1-OG 3.31Å
215	F	97.6	Very high	96.3	Very high	15 Å²	15	16.7 Å²	16.7	7%	0.066	8%	0.078	C	C	.	.	H	α-helix	trans	-56	-50.9	173.7	-179.5	-92.7	0	0	0	111.4	R211 W212 L213 L219 P278 F279 L281 F282	R211-F215 WeakPolarHBondContact O-CB 3.45Å; R211-F215 PolarHBondContact O-N 3.22Å; W212-F215 HydrophobicContact CE3-CB 4.27Å; W212-F215 AromaticContact CE3-CD1 3.71Å; W212-F215 HydrophobicContact CE3-CD1 3.71Å; W212-F215 HydrophobicContact CE3-CE1 4.46Å; W212-F215 HydrophobicContact CE3-CG 4.26Å; W212-F215 HydrophobicContact CH2-CD1 4.14Å; W212-F215 HydrophobicContact CH2-CE1 4.3Å; W212-F215 AromaticContact CZ3-CD1 3.28Å; W212-F215 HydrophobicContact CZ3-CD1 3.28Å; W212-F215 AromaticContact CZ3-CE1 3.63Å; W212-F215 HydrophobicContact CZ3-CE1 3.63Å; W212-F215 HydrophobicContact CZ3-CG 4.21Å; W212-F215 PolarHBondContact O-N 3.03Å; L213-F215 VanDerWaalsContact C-N 3.3Å; L213-F215 PolarHBondContact O-N 3.25Å; F215-L219 HydrophobicContact CD1-CD2 4.46Å; F215-L219 HydrophobicContact CE1-CD2 3.55Å; F215-L219 HydrophobicContact CE2-CD2 4.49Å; F215-L219 HydrophobicContact CZ-CD2 3.58Å; F215-L219 WeakPolarHBondContact O-CB 3.48Å; F215-L219 PolarHBondContact O-N 2.97Å; F215-P278 HydrophobicContact CD2-CB 3.49Å; F215-P278 VanDerWaalsContact CD2-CB 3.49Å; F215-P278 WeakPolarHBondContact CD2-O 3.21Å; F215-P278 HydrophobicContact CE2-CB 3.77Å; F215-P278 HydrophobicContact CG-CB 4.35Å; F215-F279 HydrophobicContact CE2-CD1 4.21Å; F215-F279 HydrophobicContact CE2-CE1 4.25Å; F215-F279 HydrophobicContact CE2-CG 4.46Å; F215-F279 HydrophobicContact CZ-CD1 4.49Å; F215-F279 HydrophobicContact CZ-CE1 4.1Å; F215-F279 HydrophobicContact CZ-CZ 4.3Å; F215-L281 HydrophobicContact CB-CD1 3.8Å; F215-L281 HydrophobicContact CD2-CD1 4.22Å; F215-F282 AromaticContact CD2-CE2 3.9Å; F215-F282 HydrophobicContact CD2-CE2 3.9Å; F215-F282 HydrophobicContact CD2-CZ 4.33Å; F215-F282 AromaticContact CE2-CE2 3.61Å; F215-F282 HydrophobicContact CE2-CE2 3.61Å; F215-F282 HydrophobicContact CE2-CZ 4.31Å; F215-F282 HydrophobicContact CZ-CE2 4.18Å
216	R	95.6	Very high	96.2	Very high	2 Å²	2	16 Å²	16	1%	0.008	8%	0.077	C	C	.	.	H	α-helix	trans	-66.6	-38.6	179.8	-77.8	-174.8	-73.7	130.2	1.2	113.3	E179 W212 L213 I214 G220 V384 L388 N406	E179-R216 IonicContact OE1-CZ 3.6Å; E179-R216 IonicContact OE1-NH1 2.85Å; E179-R216 PolarHBondContact OE1-NH1 2.81Å; E179-R216 IonicContact OE1-NH2 3.93Å; E179-R216 PolarHBondContact OE1-NH2 3.25Å; E179-R216 IonicContact OE2-NH1 3.48Å; E179-R216 PolarHBondContact OE2-NH1 3.21Å; E179-R216 VanDerWaalsContact OE2-NH1 3.16Å; W212-R216 HydrophobicContact CD2-CG 4.1Å; W212-R216 VanDerWaalsContact CE2-CD 3.47Å; W212-R216 HydrophobicContact CE3-CG 4.34Å; W212-R216 HydrophobicContact CH2-CG 3.9Å; W212-R216 HydrophobicContact CZ2-CG 3.63Å; W212-R216 HydrophobicContact CZ3-CG 4.26Å; W212-R216 WeakPolarHBondContact O-CG 3.13Å; W212-R216 PolarHBondContact O-N 2.82Å; W212-R216 PolarHBondContact O-NE 3.47Å; L213-R216 PolarHBondContact O-N 3.13Å; I214-R216 PolarHBondContact O-N 2.99Å; R216-G220 WeakPolarHBondContact O-CA 3.47Å; R216-G220 PolarHBondContact O-N 3.4Å; R216-V384 VanDerWaalsContact CD-CG1 3.49Å; R216-V384 HydrophobicContact CG-CG1 4.41Å; R216-L388 HydrophobicContact CG-CD1 4.19Å; R216-N406 PolarHBondContact NH1-O 2.76Å
217	I	96.1	Very high	96.1	Very high	12 Å²	12	20.3 Å²	20.3	6%	0.062	9%	0.093	C	C	.	.	H	α-helix	trans	-59.8	-53.7	178.1	-69.7	161.3	0	0	0	109.8	Q176 L213 I214 A221 T315 P318 Y408	Q176-I217 HydrophobicContact CG-CD1 4.13Å; Q176-I217 VanDerWaalsContact NE2-CD1 3.35Å; L213-I217 HydrophobicContact CD1-CD1 3.72Å; L213-I217 HydrophobicContact CD1-CG1 4.09Å; L213-I217 HydrophobicContact CG-CD1 3.73Å; L213-I217 VanDerWaalsContact O-CG1 3.29Å; L213-I217 WeakPolarHBondContact O-CG1 3.15Å; L213-I217 PolarHBondContact O-N 3.18Å; I214-I217 PolarHBondContact O-N 3.38Å; I217-A221 VanDerWaalsContact O-CB 3.31Å; I217-A221 WeakPolarHBondContact O-CB 3.47Å; I217-A221 PolarHBondContact O-N 2.87Å; I217-T315 HydrophobicContact CG2-CG2 3.89Å; I217-P318 HydrophobicContact CD1-CG 4.34Å; I217-Y408 HydrophobicContact CB-CD2 4.47Å; I217-Y408 HydrophobicContact CG1-CD2 3.49Å; I217-Y408 VanDerWaalsContact CG1-CD2 3.49Å; I217-Y408 HydrophobicContact CG1-CE2 4Å; I217-Y408 HydrophobicContact CG1-CG 3.83Å
218	M	97.2	Very high	95.6	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-71.8	-46.6	-173.8	-62.2	-51.6	-61.6	0	0	111.8	I214 G220 A221 G222 V273 E274 P278 Q295 F298 T315	I214-M218 HydrophobicContact CD1-CG 3.66Å; I214-M218 HydrophobicContact CD1-SD 4.11Å; I214-M218 HydrophobicContact CG1-CG 4.08Å; I214-M218 WeakPolarHBondContact O-CG 3.4Å; I214-M218 PolarHBondContact O-N 2.86Å; M218-G220 VanDerWaalsContact C-N 3.35Å; M218-G220 PolarHBondContact O-N 2.77Å; M218-A221 PolarHBondContact O-N 3.4Å; M218-G222 PolarHBondContact O-N 3.42Å; M218-V273 HydrophobicContact CE-CG1 4.11Å; M218-E274 CarbonylContact C-O 3.56Å; M218-E274 VanDerWaalsContact C-O 3.27Å; M218-E274 HydrophobicContact CE-CG 3.55Å; M218-E274 WeakPolarHBondContact O-CB 3.47Å; M218-E274 VanDerWaalsContact O-O 3.09Å; M218-P278 HydrophobicContact CB-CG 3.72Å; M218-Q295 PolarHBondContact SD-OE1 2.92Å; M218-Q295 VanDerWaalsContact SD-OE1 3.38Å; M218-F298 HydrophobicContact CE-CD1 3.61Å; M218-F298 HydrophobicContact CE-CE1 3.55Å; M218-T315 HydrophobicContact SD-CG2 4.14Å
219	L	96.4	Very high	95.2	Very high	20 Å²	20	19.4 Å²	19.4	11%	0.105	11%	0.105	C	C	.	.	H	α-helix	trans	-65	-40.8	178.1	-172	67.7	0	0	0	111.5	F215 A221 G222 L223 E274 L275 F279	F215-L219 HydrophobicContact CD1-CD2 4.46Å; F215-L219 HydrophobicContact CE1-CD2 3.55Å; F215-L219 HydrophobicContact CE2-CD2 4.49Å; F215-L219 HydrophobicContact CZ-CD2 3.58Å; F215-L219 WeakPolarHBondContact O-CB 3.48Å; F215-L219 PolarHBondContact O-N 2.97Å; L219-A221 PolarHBondContact O-N 3.43Å; L219-G222 PolarHBondContact O-N 2.87Å; L219-L223 HydrophobicContact CD1-CD1 4.27Å; L219-L223 HydrophobicContact CD1-CG 4.25Å; L219-L223 HydrophobicContact CD2-CD1 4.34Å; L219-L223 HydrophobicContact CG-CD1 3.84Å; L219-L223 HydrophobicContact CG-CG 4.23Å; L219-L223 WeakPolarHBondContact O-CB 3.27Å; L219-L223 VanDerWaalsContact O-CG 3.25Å; L219-L223 WeakPolarHBondContact O-CG 3.35Å; L219-L223 PolarHBondContact O-N 3.15Å; L219-E274 WeakPolarHBondContact CA-O 3.4Å; L219-E274 PolarHBondContact N-O 2.88Å; L219-L275 HydrophobicContact CD1-CD2 4.12Å; L219-F279 HydrophobicContact CD1-CE2 4.16Å; L219-F279 HydrophobicContact CD1-CZ 4.49Å
220	G	94.8	Very high	95	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.1	-41.1	176.4	0	0	0	0	0	112.7	R216 M218 I224 Q393 Y408	R216-G220 WeakPolarHBondContact O-CA 3.47Å; R216-G220 PolarHBondContact O-N 3.4Å; M218-G220 VanDerWaalsContact C-N 3.35Å; M218-G220 PolarHBondContact O-N 2.77Å; G220-I224 WeakPolarHBondContact O-CB 3.49Å; G220-I224 WeakPolarHBondContact O-CG2 3.35Å; G220-I224 PolarHBondContact O-N 3.15Å; G220-I224 VanDerWaalsContact O-N 3.12Å; G220-Q393 PolarHBondContact O-NE2 2.85Å; G220-Y408 CarbonylContact C-O 3.58Å; G220-Y408 VanDerWaalsContact C-O 3.29Å; G220-Y408 WeakPolarHBondContact CA-O 3.31Å
221	A	94.3	Very high	94.9	Very high	8 Å²	8	27 Å²	27	7%	0.066	14%	0.137	C	C	.	.	H	α-helix	trans	-65.5	-44.4	174.3	0	0	0	0	0	112.7	I217 M218 L219 I224 K225	I217-A221 VanDerWaalsContact O-CB 3.31Å; I217-A221 WeakPolarHBondContact O-CB 3.47Å; I217-A221 PolarHBondContact O-N 2.87Å; M218-A221 PolarHBondContact O-N 3.4Å; L219-A221 PolarHBondContact O-N 3.43Å; A221-I224 VanDerWaalsContact O-CG2 3.31Å; A221-I224 WeakPolarHBondContact O-CG2 3.49Å; A221-K225 VanDerWaalsContact O-CG 3.3Å; A221-K225 WeakPolarHBondContact O-CG 3.32Å; A221-K225 PolarHBondContact O-N 3Å
222	G	95.4	Very high	94.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66.6	-44	178.1	0	0	0	0	0	112.7	M218 L219 I224 K225 V226 L275	M218-G222 PolarHBondContact O-N 3.42Å; L219-G222 PolarHBondContact O-N 2.87Å; G222-I224 PolarHBondContact O-N 3.18Å; G222-K225 PolarHBondContact O-N 3.13Å; G222-V226 PolarHBondContact O-N 3.29Å; G222-V226 VanDerWaalsContact O-N 3.17Å; G222-L275 VanDerWaalsContact C-CD2 3.49Å
223	L	95.1	Very high	94.6	Very high	34 Å²	34	29.6 Å²	29.6	18%	0.178	15%	0.154	C	C	.	.	H	α-helix	trans	-65.9	-40	-178.7	-73.2	175	0	0	0	111.9	L219 K225 V226 R227 L275 L388 Q393	L219-L223 HydrophobicContact CD1-CD1 4.27Å; L219-L223 HydrophobicContact CD1-CG 4.25Å; L219-L223 HydrophobicContact CD2-CD1 4.34Å; L219-L223 HydrophobicContact CG-CD1 3.84Å; L219-L223 HydrophobicContact CG-CG 4.23Å; L219-L223 WeakPolarHBondContact O-CB 3.27Å; L219-L223 VanDerWaalsContact O-CG 3.25Å; L219-L223 WeakPolarHBondContact O-CG 3.35Å; L219-L223 PolarHBondContact O-N 3.15Å; L223-K225 VanDerWaalsContact C-N 3.29Å; L223-K225 PolarHBondContact O-N 3.14Å; L223-V226 PolarHBondContact O-N 3.26Å; L223-R227 VanDerWaalsContact O-CB 3.29Å; L223-R227 WeakPolarHBondContact O-CB 3.26Å; L223-R227 VanDerWaalsContact O-CD 3.31Å; L223-R227 WeakPolarHBondContact O-CD 3.39Å; L223-R227 WeakPolarHBondContact O-CG 3.39Å; L223-R227 PolarHBondContact O-N 3.35Å; L223-L275 HydrophobicContact CD2-CD2 3.95Å; L223-L275 HydrophobicContact CG-CD2 4Å; L223-L388 HydrophobicContact CD1-CD2 4.23Å; L223-Q393 VanDerWaalsContact CB-OE1 3.3Å
224	I	92.9	Very high	94.5	Very high	18 Å²	18	34.5 Å²	34.5	9%	0.092	18%	0.18	C	C	.	.	H	α-helix	trans	-67.9	-31.1	179.2	-159	67.6	0	0	0	112	G220 A221 G222 G228 Q393	G220-I224 WeakPolarHBondContact O-CB 3.49Å; G220-I224 WeakPolarHBondContact O-CG2 3.35Å; G220-I224 PolarHBondContact O-N 3.15Å; G220-I224 VanDerWaalsContact O-N 3.12Å; A221-I224 VanDerWaalsContact O-CG2 3.31Å; A221-I224 WeakPolarHBondContact O-CG2 3.49Å; G222-I224 PolarHBondContact O-N 3.18Å; I224-G228 VanDerWaalsContact O-CA 3.23Å; I224-G228 WeakPolarHBondContact O-CA 3.32Å; I224-G228 PolarHBondContact O-N 3.03Å; I224-Q393 HydrophobicContact CD1-CB 4.05Å; I224-Q393 HydrophobicContact CD1-CG 4.18Å; I224-Q393 WeakPolarHBondContact CD1-O 3.45Å
225	K	94.3	Very high	94.4	Very high	12 Å²	12	36.4 Å²	36.4	5%	0.052	19%	0.19	C	C	.	.	H	α-helix	trans	-66	-52.6	174.6	-73.5	174.6	-177.7	170.3	0	111.3	A221 G222 L223 R227 G228 W232 N270 E274 A410	A221-K225 VanDerWaalsContact O-CG 3.3Å; A221-K225 WeakPolarHBondContact O-CG 3.32Å; A221-K225 PolarHBondContact O-N 3Å; G222-K225 PolarHBondContact O-N 3.13Å; L223-K225 VanDerWaalsContact C-N 3.29Å; L223-K225 PolarHBondContact O-N 3.14Å; K225-R227 PolarHBondContact O-N 2.9Å; K225-G228 PolarHBondContact O-N 3.47Å; K225-W232 HydrophobicContact CB-CB 4.4Å; K225-W232 HydrophobicContact CB-CD2 3.64Å; K225-W232 HydrophobicContact CB-CE3 4.24Å; K225-W232 HydrophobicContact CB-CG 3.69Å; K225-W232 HydrophobicContact CB-CZ2 4.4Å; K225-W232 HydrophobicContact CD-CD2 4.06Å; K225-W232 HydrophobicContact CD-CE3 4.05Å; K225-W232 HydrophobicContact CD-CH2 3.69Å; K225-W232 HydrophobicContact CD-CZ2 3.65Å; K225-W232 HydrophobicContact CD-CZ3 3.89Å; K225-W232 HydrophobicContact CG-CD2 3.88Å; K225-W232 VanDerWaalsContact CG-CE2 3.48Å; K225-W232 HydrophobicContact CG-CE3 4.38Å; K225-W232 HydrophobicContact CG-CG 4.36Å; K225-W232 HydrophobicContact CG-CH2 4.25Å; K225-W232 HydrophobicContact CG-CZ2 3.69Å; K225-W232 WeakPolarHBondContact O-CB 3.03Å; K225-N270 PolarHBondContact NZ-OD1 2.92Å; K225-E274 VanDerWaalsContact CD-OE2 3.32Å; K225-E274 WeakPolarHBondContact CD-OE2 3.4Å; K225-E274 WeakPolarHBondContact CE-OE2 3.3Å; K225-E274 IonicContact NZ-OE1 3.74Å; K225-E274 PolarHBondContact NZ-OE1 2.96Å; K225-E274 IonicContact NZ-OE2 2.82Å; K225-E274 PolarHBondContact NZ-OE2 2.96Å; K225-A410 WeakPolarHBondContact CE-O 3.47Å
226	V	93.6	Very high	94.3	Very high	48 Å²	48	37.4 Å²	37.4	29%	0.291	20%	0.198	S	C	.	.	H	α-helix	trans	-61.1	-30.8	178.7	175.4	0	0	0	0	112.5	G222 L223 L233 H271 L275	G222-V226 PolarHBondContact O-N 3.29Å; G222-V226 VanDerWaalsContact O-N 3.17Å; L223-V226 PolarHBondContact O-N 3.26Å; V226-L233 HydrophobicContact CG1-CD2 3.93Å; V226-H271 VanDerWaalsContact CG2-CD2 3.42Å; V226-H271 WeakPolarHBondContact CG2-CD2 3.35Å; V226-H271 WeakPolarHBondContact CG2-NE2 3.41Å; V226-L275 HydrophobicContact CG2-CD1 3.83Å
227	R	92.7	Very high	94.3	Very high	90 Å²	90	37.3 Å²	37.3	34%	0.34	20%	0.197	S	C	.	.	H	α-helix	trans	-91.8	-22	-179.5	-65.5	166.8	-179.7	169.5	-9.5	113.9	L223 K225 L388 S390	L223-R227 VanDerWaalsContact O-CB 3.29Å; L223-R227 WeakPolarHBondContact O-CB 3.26Å; L223-R227 VanDerWaalsContact O-CD 3.31Å; L223-R227 WeakPolarHBondContact O-CD 3.39Å; L223-R227 WeakPolarHBondContact O-CG 3.39Å; L223-R227 PolarHBondContact O-N 3.35Å; K225-R227 PolarHBondContact O-N 2.9Å; R227-L388 PolarHBondContact NH1-O 2.9Å; R227-L388 PolarHBondContact NH2-O 3.49Å; R227-S390 PolarHBondContact NH1-O 2.9Å; R227-S390 PolarHBondContact NH2-O 3.14Å
228	G	87.4	Confident	94.2	Very high	43 Å²	43	37.2 Å²	37.2	44%	0.443	20%	0.197	S	C	.	.	H	α-helix	trans	-92.5	-37.3	-164	0	0	0	0	0	114.9	I224 K225 G412	I224-G228 VanDerWaalsContact O-CA 3.23Å; I224-G228 WeakPolarHBondContact O-CA 3.32Å; I224-G228 PolarHBondContact O-N 3.03Å; K225-G228 PolarHBondContact O-N 3.47Å; G228-G412 CarbonylContact C-O 3.3Å; G228-G412 WeakPolarHBondContact CA-O 3.42Å
229	D	89.4	Confident	94.1	Very high	39 Å²	39	39.5 Å²	39.5	21%	0.209	21%	0.209	C	C	.	.			trans	-145.9	140.9	-178	-162.6	-27.4	0	0	0	111.1	C231 W232 G412	D229-C231 PolarHBondContact O-N 3.4Å; D229-C231 PolarHBondContact OD1-N 3.34Å; D229-C231 VanDerWaalsContact OD1-N 3.16Å; D229-W232 PolarHBondContact O-N 3.49Å; D229-G412 WeakPolarHBondContact CB-O 3.37Å; D229-G412 PolarHBondContact N-O 2.86Å
230	K	93.6	Very high	94	Very high	163 Å²	163	41.6 Å²	41.6	71%	0.709	22%	0.217	S	C	*	.	H	α-helix	trans	-62.9	-28.6	177.6	-68.8	-176	178.5	-179.5	0	112.1	W232 L233 D234	K230-W232 PolarHBondContact O-N 2.94Å; K230-L233 PolarHBondContact O-N 2.83Å; K230-D234 PolarHBondContact O-N 3.17Å
231	C	94.4	Very high	93.9	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.034	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-24.1	179.6	70.7	0	0	0	0	113.4	D229 L235 T236 C237	D229-C231 PolarHBondContact O-N 3.4Å; D229-C231 PolarHBondContact OD1-N 3.34Å; D229-C231 VanDerWaalsContact OD1-N 3.16Å; C231-L235 PolarHBondContact O-N 2.69Å; C231-T236 PolarHBondContact O-N 3.19Å; C231-C237 HydrophobicContact CB-CB 4.12Å; C231-C237 WeakPolarHBondContact CB-SG 3.13Å; C231-C237 PolarHBondContact O-N 3.1Å; C231-C237 PolarHBondContact O-SG 3.21Å; C231-C237 VanDerWaalsContact O-SG 3.41Å; C231-C237 VanDerWaalsContact SG-CA 3.57Å; C231-C237 WeakPolarHBondContact SG-CB 3.43Å; C231-C237 CovalentContact SG-SG 2.05Å; C231-C237 PolarHBondContact SG-SG 3.28Å
232	W	95.6	Very high	94	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.015	22%	0.219	C	C	.	.	H	α-helix	trans	-73.2	-39.2	179	-73.3	112	0	0	0	110.5	K225 D229 K230 L235 C237 T267 H271 F411 G412 V414	K225-W232 HydrophobicContact CB-CB 4.4Å; K225-W232 HydrophobicContact CB-CD2 3.64Å; K225-W232 HydrophobicContact CB-CE3 4.24Å; K225-W232 HydrophobicContact CB-CG 3.69Å; K225-W232 HydrophobicContact CB-CZ2 4.4Å; K225-W232 HydrophobicContact CD-CD2 4.06Å; K225-W232 HydrophobicContact CD-CE3 4.05Å; K225-W232 HydrophobicContact CD-CH2 3.69Å; K225-W232 HydrophobicContact CD-CZ2 3.65Å; K225-W232 HydrophobicContact CD-CZ3 3.89Å; K225-W232 HydrophobicContact CG-CD2 3.88Å; K225-W232 VanDerWaalsContact CG-CE2 3.48Å; K225-W232 HydrophobicContact CG-CE3 4.38Å; K225-W232 HydrophobicContact CG-CG 4.36Å; K225-W232 HydrophobicContact CG-CH2 4.25Å; K225-W232 HydrophobicContact CG-CZ2 3.69Å; K225-W232 WeakPolarHBondContact O-CB 3.03Å; D229-W232 PolarHBondContact O-N 3.49Å; K230-W232 PolarHBondContact O-N 2.94Å; W232-L235 PolarHBondContact O-N 3.16Å; W232-C237 VanDerWaalsContact CA-SG 3.52Å; W232-C237 HydrophobicContact CD2-CB 3.94Å; W232-C237 HydrophobicContact CE3-CB 4.01Å; W232-C237 HydrophobicContact CH2-CB 4.11Å; W232-C237 HydrophobicContact CZ2-CB 4.07Å; W232-C237 HydrophobicContact CZ3-CB 4.09Å; W232-C237 PolarHBondContact N-SG 3.25Å; W232-T267 HydrophobicContact CE3-CG2 3.79Å; W232-T267 HydrophobicContact CZ3-CG2 4.14Å; W232-H271 PolarHBondContact O-CE1 2.9Å; W232-H271 VanDerWaalsContact O-CE1 3.25Å; W232-F411 HydrophobicContact CZ2-CB 4.39Å; W232-F411 WeakPolarHBondContact CZ2-O 3.3Å; W232-F411 PolarHBondContact NE1-O 3.45Å; W232-F411 VanDerWaalsContact NE1-O 3.09Å; W232-G412 PolarHBondContact NE1-O 3Å; W232-V414 HydrophobicContact CZ2-CG2 3.81Å
233	L	94.9	Very high	94	Very high	107 Å²	107	43.1 Å²	43.1	56%	0.56	22%	0.223	S	C	*	.	H	α-helix	trans	-71.5	-37.9	174.4	-66.3	175.5	0	0	0	111.7	V226 K230 L235	V226-L233 HydrophobicContact CG1-CD2 3.93Å; K230-L233 PolarHBondContact O-N 2.83Å; L233-L235 PolarHBondContact O-N 3.28Å
234	D	95.6	Very high	94	Very high	103 Å²	103	41.6 Å²	41.6	55%	0.551	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-5.5	178	-62	-28.6	0	0	0	112.9	K230 T236	K230-D234 PolarHBondContact O-N 3.17Å; D234-T236 VanDerWaalsContact C-N 3.31Å; D234-T236 HydrophobicContact CB-CG2 4.35Å; D234-T236 WeakPolarHBondContact O-CG2 3.33Å; D234-T236 PolarHBondContact O-N 3.07Å
235	L	96.3	Very high	94	Very high	39 Å²	39	40.9 Å²	40.9	20%	0.204	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	25.9	-179.3	-49.4	176.3	0	0	0	115	C231 W232 L233 R264 T267 L268	C231-L235 PolarHBondContact O-N 2.69Å; W232-L235 PolarHBondContact O-N 3.16Å; L233-L235 PolarHBondContact O-N 3.28Å; L235-R264 HydrophobicContact CB-CB 4.22Å; L235-R264 HydrophobicContact CB-CG 3.95Å; L235-R264 WeakPolarHBondContact O-CG 3.43Å; L235-T267 HydrophobicContact CB-CG2 4.37Å; L235-T267 HydrophobicContact CD2-CG2 3.75Å; L235-L268 HydrophobicContact CD1-CD1 4.11Å; L235-L268 HydrophobicContact CD1-CD2 3.87Å; L235-L268 HydrophobicContact CD1-CG 3.87Å; L235-L268 HydrophobicContact CD2-CD2 3.74Å; L235-L268 HydrophobicContact CD2-CG 3.99Å; L235-L268 HydrophobicContact CG-CD2 4.49Å
236	T	95.1	Very high	93.8	Very high	37 Å²	37	40.4 Å²	40.4	23%	0.227	21%	0.209	C	C	.	.			trans	-111.5	-0.1	-174.8	65.7	0	0	0	0	114.2	C231 D234 M238 D239	C231-T236 PolarHBondContact O-N 3.19Å; D234-T236 VanDerWaalsContact C-N 3.31Å; D234-T236 HydrophobicContact CB-CG2 4.35Å; D234-T236 WeakPolarHBondContact O-CG2 3.33Å; D234-T236 PolarHBondContact O-N 3.07Å; T236-M238 PolarHBondContact O-N 3.37Å; T236-D239 WeakPolarHBondContact CB-OD2 3.22Å; T236-D239 VanDerWaalsContact O-CB 3.29Å; T236-D239 WeakPolarHBondContact O-CB 3.23Å; T236-D239 PolarHBondContact O-N 2.68Å; T236-D239 VanDerWaalsContact O-N 3.12Å
237	C	94.4	Very high	93.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-32.7	-176.8	-64.4	0	0	0	0	113.3	C231 W232 D239 F240 H241 V414	C231-C237 HydrophobicContact CB-CB 4.12Å; C231-C237 WeakPolarHBondContact CB-SG 3.13Å; C231-C237 PolarHBondContact O-N 3.1Å; C231-C237 PolarHBondContact O-SG 3.21Å; C231-C237 VanDerWaalsContact O-SG 3.41Å; C231-C237 VanDerWaalsContact SG-CA 3.57Å; C231-C237 WeakPolarHBondContact SG-CB 3.43Å; C231-C237 CovalentContact SG-SG 2.05Å; C231-C237 PolarHBondContact SG-SG 3.28Å; W232-C237 VanDerWaalsContact CA-SG 3.52Å; W232-C237 HydrophobicContact CD2-CB 3.94Å; W232-C237 HydrophobicContact CE3-CB 4.01Å; W232-C237 HydrophobicContact CH2-CB 4.11Å; W232-C237 HydrophobicContact CZ2-CB 4.07Å; W232-C237 HydrophobicContact CZ3-CB 4.09Å; W232-C237 PolarHBondContact N-SG 3.25Å; C237-D239 PolarHBondContact O-N 3.14Å; C237-F240 PolarHBondContact O-N 3Å; C237-F240 VanDerWaalsContact O-N 3.16Å; C237-H241 PolarHBondContact O-N 3.17Å; C237-V414 HydrophobicContact CB-CG2 4.12Å
238	M	95	Very high	93.9	Very high	10 Å²	10	33.9 Å²	33.9	5%	0.049	18%	0.18	C	C	.	.	H	α-helix	trans	-69.3	-17.7	179.8	-65.5	-56.7	-59.3	0	0	113.3	T236 F240 H241 Y242 H263 E266 T267	T236-M238 PolarHBondContact O-N 3.37Å; M238-F240 PolarHBondContact O-N 3.3Å; M238-H241 HydrophobicContact CE-CB 4.37Å; M238-H241 HydrophobicContact SD-CB 4.04Å; M238-Y242 HydrophobicContact CE-CD2 4.18Å; M238-Y242 HydrophobicContact CE-CE1 4.02Å; M238-Y242 HydrophobicContact CE-CE2 3.4Å; M238-Y242 VanDerWaalsContact CE-CE2 3.4Å; M238-Y242 VanDerWaalsContact CE-OH 3.23Å; M238-Y242 WeakPolarHBondContact CE-OH 3.41Å; M238-H263 HydrophobicContact CB-CB 3.87Å; M238-E266 HydrophobicContact CG-CB 4.04Å; M238-T267 VanDerWaalsContact CG-OG1 3.3Å; M238-T267 WeakPolarHBondContact CG-OG1 3.44Å
239	D	94.1	Very high	94.2	Very high	49 Å²	49	31.8 Å²	31.8	26%	0.262	16%	0.158	S	C	.	.	H	α-helix	trans	-62.8	-25	172.6	-59.9	-31.3	0	0	0	111.8	T236 C237 H256 H263	T236-D239 WeakPolarHBondContact CB-OD2 3.22Å; T236-D239 VanDerWaalsContact O-CB 3.29Å; T236-D239 WeakPolarHBondContact O-CB 3.23Å; T236-D239 PolarHBondContact O-N 2.68Å; T236-D239 VanDerWaalsContact O-N 3.12Å; C237-D239 PolarHBondContact O-N 3.14Å; D239-H256 PolarHBondContact O-CE1 2.84Å; D239-H256 PolarHBondContact O-ND1 3.46Å; D239-H263 WeakPolarHBondContact OD1-CB 3.46Å; D239-H263 IonicContact OD1-CD2 3.3Å; D239-H263 PolarHBondContact OD1-CD2 3.22Å; D239-H263 VanDerWaalsContact OD1-CD2 3.3Å; D239-H263 IonicContact OD1-CG 3.69Å
240	F	94.3	Very high	94.5	Very high	65 Å²	65	31.1 Å²	31.1	29%	0.285	16%	0.156	S	C	.	.	H	α-helix	trans	-109.4	-36.7	-177.9	-52.4	-76.3	0	0	0	112.7	C237 M238 Y242 E243 T244 V414 K416	C237-F240 PolarHBondContact O-N 3Å; C237-F240 VanDerWaalsContact O-N 3.16Å; M238-F240 PolarHBondContact O-N 3.3Å; F240-Y242 VanDerWaalsContact C-N 3.33Å; F240-Y242 PolarHBondContact O-N 3.45Å; F240-Y242 VanDerWaalsContact O-N 3.14Å; F240-E243 PolarHBondContact O-N 2.93Å; F240-E243 VanDerWaalsContact O-N 3.15Å; F240-T244 PolarHBondContact O-N 2.97Å; F240-T244 VanDerWaalsContact O-N 3.15Å; F240-T244 PolarHBondContact O-OG1 3.32Å; F240-V414 HydrophobicContact CB-CG1 4.18Å; F240-K416 HydrophobicContact CD1-CB 4Å; F240-K416 HydrophobicContact CD1-CG 4.28Å; F240-K416 HydrophobicContact CD2-CG 4.28Å; F240-K416 HydrophobicContact CE1-CB 4.19Å; F240-K416 HydrophobicContact CE1-CG 4.37Å; F240-K416 HydrophobicContact CE2-CG 4.38Å; F240-K416 HydrophobicContact CG-CB 4.35Å; F240-K416 HydrophobicContact CG-CG 4.23Å; F240-K416 HydrophobicContact CZ-CG 4.43Å
241	H	94.6	Very high	94.6	Very high	17 Å²	17	26.7 Å²	26.7	8%	0.079	14%	0.139	C	C	.	.	H	α-helix	trans	-52	-44	-165.9	-179.3	69.4	0	0	0	114.5	C237 M238 E243 T244 Q245 F411 V414	C237-H241 PolarHBondContact O-N 3.17Å; M238-H241 HydrophobicContact CE-CB 4.37Å; M238-H241 HydrophobicContact SD-CB 4.04Å; H241-E243 VanDerWaalsContact C-N 3.32Å; H241-E243 PolarHBondContact O-N 3.43Å; H241-T244 PolarHBondContact O-N 3.44Å; H241-Q245 VanDerWaalsContact O-CB 3.32Å; H241-Q245 WeakPolarHBondContact O-CB 3.32Å; H241-Q245 PolarHBondContact O-N 3.14Å; H241-F411 AromaticContact CE1-CD1 3.98Å; H241-F411 AromaticContact CE1-CG 3.98Å; H241-V414 HydrophobicContact CB-CG1 4.35Å
242	Y	95.4	Very high	94.7	Very high	7 Å²	7	26.5 Å²	26.5	3%	0.027	14%	0.138	C	C	.	.	H	α-helix	trans	-63.5	-35.2	-175.7	-73.2	-58.1	0	0	0	114.2	M238 F240 Q245 A252 L255 H263 E266	M238-Y242 HydrophobicContact CE-CD2 4.18Å; M238-Y242 HydrophobicContact CE-CE1 4.02Å; M238-Y242 HydrophobicContact CE-CE2 3.4Å; M238-Y242 VanDerWaalsContact CE-CE2 3.4Å; M238-Y242 VanDerWaalsContact CE-OH 3.23Å; M238-Y242 WeakPolarHBondContact CE-OH 3.41Å; F240-Y242 VanDerWaalsContact C-N 3.33Å; F240-Y242 PolarHBondContact O-N 3.45Å; F240-Y242 VanDerWaalsContact O-N 3.14Å; Y242-Q245 WeakPolarHBondContact O-CG 3.21Å; Y242-Q245 PolarHBondContact O-NE2 3.11Å; Y242-A252 HydrophobicContact CD1-CB 4.13Å; Y242-L255 HydrophobicContact CD1-CB 4.08Å; Y242-L255 HydrophobicContact CD1-CD1 4.37Å; Y242-L255 HydrophobicContact CD2-CB 3.94Å; Y242-L255 HydrophobicContact CE1-CB 3.97Å; Y242-L255 HydrophobicContact CE1-CD1 3.69Å; Y242-L255 HydrophobicContact CE2-CB 3.78Å; Y242-L255 HydrophobicContact CG-CB 4.08Å; Y242-H263 AromaticContact CD2-CE1 3.89Å; Y242-H263 AromaticContact CE2-CE1 3.77Å; Y242-E266 PolarHBondContact OH-OE1 2.96Å
243	E	95.5	Very high	94.7	Very high	15 Å²	15	26.6 Å²	26.6	7%	0.07	14%	0.138	C	C	.	.	H	α-helix	trans	-80.7	-36.1	177.5	-175.6	177	95.3	0	0	111.3	F240 H241 H256 R418 K522 F523 W537	F240-E243 PolarHBondContact O-N 2.93Å; F240-E243 VanDerWaalsContact O-N 3.15Å; H241-E243 VanDerWaalsContact C-N 3.32Å; H241-E243 PolarHBondContact O-N 3.43Å; E243-H256 IonicContact OE2-NE2 3.86Å; E243-R418 HydrophobicContact CG-CB 4.34Å; E243-K522 VanDerWaalsContact OE2-CA 3.32Å; E243-K522 WeakPolarHBondContact OE2-CA 3.33Å; E243-F523 VanDerWaalsContact CA-CE2 3.41Å; E243-F523 HydrophobicContact CB-CD2 3.76Å; E243-F523 HydrophobicContact CB-CE2 3.8Å; E243-F523 HydrophobicContact CG-CD2 3.86Å; E243-F523 HydrophobicContact CG-CE2 4.17Å; E243-F523 HydrophobicContact CG-CG 4.26Å; E243-F523 PolarHBondContact OE2-N 3.26Å; E243-W537 HydrophobicContact CG-CZ3 4.22Å
244	T	94.3	Very high	94.7	Very high	3 Å²	3	28 Å²	28	2%	0.018	14%	0.137	C	C	.	.	H	α-helix	trans	-94.7	-11.9	-170	65.7	0	0	0	0	115	F240 H241 T415 R418 W469	F240-T244 PolarHBondContact O-N 2.97Å; F240-T244 VanDerWaalsContact O-N 3.15Å; F240-T244 PolarHBondContact O-OG1 3.32Å; H241-T244 PolarHBondContact O-N 3.44Å; T244-T415 VanDerWaalsContact CB-O 3.32Å; T244-T415 WeakPolarHBondContact CB-O 3.29Å; T244-T415 WeakPolarHBondContact CB-OG1 3.49Å; T244-T415 WeakPolarHBondContact CG2-O 3.33Å; T244-T415 PolarHBondContact OG1-O 2.98Å; T244-R418 HydrophobicContact CG2-CB 4.27Å; T244-R418 PolarHBondContact O-NH1 3.31Å; T244-W469 PolarHBondContact O-NE1 3.05Å
245	Q	92.6	Very high	94.7	Very high	3 Å²	3	24.9 Å²	24.9	1%	0.014	12%	0.12	C	C	.	.	S	Bend	trans	-54.8	150.6	176.3	65.4	176.7	-47.5	0	0	113.6	H241 Y242 V247 P248 S305 R418	H241-Q245 VanDerWaalsContact O-CB 3.32Å; H241-Q245 WeakPolarHBondContact O-CB 3.32Å; H241-Q245 PolarHBondContact O-N 3.14Å; Y242-Q245 WeakPolarHBondContact O-CG 3.21Å; Y242-Q245 PolarHBondContact O-NE2 3.11Å; Q245-V247 PolarHBondContact O-N 2.97Å; Q245-P248 HydrophobicContact CG-CB 3.88Å; Q245-S305 PolarHBondContact NE2-O 2.92Å; Q245-R418 PolarHBondContact O-NH1 3.48Å
246	P	90.8	Very high	94.7	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	12%	0.117	C	C	.	.	S	Bend	trans	-50.3	-52.8	-167.8	-29.7	36.2	0	0	0	115.3	F411 R418 W466 W469	P246-F411 HydrophobicContact CG-CE1 4.45Å; P246-R418 PolarHBondContact O-NH1 3Å; P246-R418 PolarHBondContact O-NH2 3.47Å; P246-W466 HydrophobicContact CB-CD2 3.84Å; P246-W466 HydrophobicContact CB-CE3 3.78Å; P246-W466 HydrophobicContact CB-CH2 3.77Å; P246-W466 HydrophobicContact CB-CZ2 3.77Å; P246-W466 HydrophobicContact CB-CZ3 3.74Å; P246-W466 HydrophobicContact CG-CE3 3.99Å; P246-W466 HydrophobicContact CG-CH2 3.55Å; P246-W466 HydrophobicContact CG-CZ2 4.06Å; P246-W466 HydrophobicContact CG-CZ3 3.48Å; P246-W466 VanDerWaalsContact CG-CZ3 3.48Å; P246-W469 HydrophobicContact CB-CB 4.44Å; P246-W469 HydrophobicContact CB-CD2 3.79Å; P246-W469 HydrophobicContact CB-CE3 4.05Å; P246-W469 HydrophobicContact CB-CG 3.97Å; P246-W469 HydrophobicContact CG-CD2 3.78Å; P246-W469 HydrophobicContact CG-CE3 3.79Å; P246-W469 HydrophobicContact CG-CG 4.47Å; P246-W469 HydrophobicContact CG-CH2 3.98Å; P246-W469 HydrophobicContact CG-CZ2 3.97Å; P246-W469 HydrophobicContact CG-CZ3 3.89Å
247	V	93.3	Very high	94.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-133.1	93.5	176	-177.3	0	0	0	0	108.3	Q245 N307 C445 I457	Q245-V247 PolarHBondContact O-N 2.97Å; V247-N307 HydrophobicContact CB-CB 4.17Å; V247-N307 HydrophobicContact CG1-CB 4.21Å; V247-N307 VanDerWaalsContact O-CB 3.3Å; V247-N307 WeakPolarHBondContact O-CB 3.36Å; V247-N307 PolarHBondContact O-N 3.29Å; V247-N307 PolarHBondContact O-ND2 3.23Å; V247-C445 HydrophobicContact CG1-CB 3.69Å; V247-I457 HydrophobicContact CG1-CD1 4.36Å
248	P	94.7	Very high	94.7	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	13%	0.133	C	C	.	.			trans	-66.8	155.2	177.7	28.3	-32.9	0	0	0	110.9	Q245 A252 N307 P447 P454 F523 W537	Q245-P248 HydrophobicContact CG-CB 3.88Å; P248-A252 HydrophobicContact CB-CB 4.07Å; P248-N307 PolarHBondContact O-ND2 3.41Å; P248-P447 HydrophobicContact CG-CG 4.34Å; P248-P454 WeakPolarHBondContact O-CB 3.14Å; P248-F523 HydrophobicContact CB-CZ 3.88Å; P248-F523 HydrophobicContact CG-CE1 4.47Å; P248-F523 HydrophobicContact CG-CZ 4.19Å; P248-W537 HydrophobicContact CG-CH2 3.74Å; P248-W537 HydrophobicContact CG-CZ2 3.67Å
249	N	94.4	Very high	94.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.151	C	C	.	.			trans	-110.1	174.6	174.6	76.2	8.8	0	0	0	110.3	I251 A252 I304 G306 N307 C455	N249-I251 PolarHBondContact O-N 3.1Å; N249-I251 WeakPolarHBondContact OD1-CA 3.46Å; N249-I251 WeakPolarHBondContact OD1-CB 3.42Å; N249-I251 PolarHBondContact OD1-N 2.9Å; N249-A252 WeakPolarHBondContact O-CB 3.47Å; N249-A252 PolarHBondContact O-N 3.32Å; N249-A252 PolarHBondContact OD1-N 2.92Å; N249-I304 PolarHBondContact ND2-O 3.42Å; N249-G306 PolarHBondContact ND2-N 2.9Å; N249-N307 WeakPolarHBondContact CB-ND2 3.36Å; N249-C455 WeakPolarHBondContact CA-O 3.27Å; N249-C455 WeakPolarHBondContact CB-O 3.37Å
250	P	95.1	Very high	94.7	Very high	24 Å²	24	36.6 Å²	36.6	16%	0.156	17%	0.168	C	C	.	.	H	α-helix	trans	-59	-31.1	179.5	-28	36.4	0	0	0	114.1	Y253 Y254 Q453 P454	P250-Y253 WeakPolarHBondContact O-CB 3.5Å; P250-Y253 PolarHBondContact O-N 2.88Å; P250-Y254 WeakPolarHBondContact O-CD2 3.4Å; P250-Q453 HydrophobicContact CG-CG 4.18Å; P250-P454 VanDerWaalsContact CD-O 3.3Å; P250-P454 WeakPolarHBondContact CD-O 3.3Å; P250-P454 WeakPolarHBondContact CG-O 3.43Å
251	I	96.1	Very high	94.8	Very high	71 Å²	71	40.6 Å²	40.6	36%	0.364	18%	0.181	S	C	.	.	H	α-helix	trans	-72	-37.4	-178.6	-62.6	178.2	0	0	0	110.2	N249 Y253 Y254 L255 I304	N249-I251 PolarHBondContact O-N 3.1Å; N249-I251 WeakPolarHBondContact OD1-CA 3.46Å; N249-I251 WeakPolarHBondContact OD1-CB 3.42Å; N249-I251 PolarHBondContact OD1-N 2.9Å; I251-Y253 PolarHBondContact O-N 2.59Å; I251-Y254 PolarHBondContact O-N 3.02Å; I251-Y254 VanDerWaalsContact O-N 3.07Å; I251-L255 HydrophobicContact CG2-CD1 3.71Å; I251-L255 HydrophobicContact CG2-CG 3.93Å; I251-L255 WeakPolarHBondContact O-CG 3.49Å; I251-L255 PolarHBondContact O-N 3.29Å; I251-I304 WeakPolarHBondContact CB-O 3.43Å; I251-I304 HydrophobicContact CD1-CG2 3.52Å; I251-I304 WeakPolarHBondContact CD1-O 3.32Å; I251-I304 HydrophobicContact CG2-CG2 4.33Å
252	A	95.9	Very high	94.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-56.1	-37.9	174.7	0	0	0	0	0	113	Y242 P248 N249 Y254 L255 H256 S305	Y242-A252 HydrophobicContact CD1-CB 4.13Å; P248-A252 HydrophobicContact CB-CB 4.07Å; N249-A252 WeakPolarHBondContact O-CB 3.47Å; N249-A252 PolarHBondContact O-N 3.32Å; N249-A252 PolarHBondContact OD1-N 2.92Å; A252-Y254 VanDerWaalsContact C-N 3.29Å; A252-Y254 PolarHBondContact O-N 2.9Å; A252-L255 PolarHBondContact O-N 3.47Å; A252-H256 VanDerWaalsContact O-CB 3.29Å; A252-H256 WeakPolarHBondContact O-CB 3.49Å; A252-H256 PolarHBondContact O-N 2.92Å; A252-S305 WeakPolarHBondContact CB-O 3.35Å
253	Y	95.8	Very high	94.9	Very high	7 Å²	7	42.4 Å²	42.4	3%	0.027	19%	0.189	C	C	.	.	H	α-helix	trans	-57.6	-42.6	176	172.7	-99.7	0	0	0	112	P250 I251 F523 S524 P526 W536	P250-Y253 WeakPolarHBondContact O-CB 3.5Å; P250-Y253 PolarHBondContact O-N 2.88Å; I251-Y253 PolarHBondContact O-N 2.59Å; Y253-F523 HydrophobicContact CD2-CB 3.76Å; Y253-F523 AromaticContact CD2-CD1 3.53Å; Y253-F523 HydrophobicContact CD2-CD1 3.53Å; Y253-F523 HydrophobicContact CD2-CD2 4.34Å; Y253-F523 HydrophobicContact CD2-CE1 4.08Å; Y253-F523 AromaticContact CD2-CG 3.65Å; Y253-F523 HydrophobicContact CD2-CG 3.65Å; Y253-F523 HydrophobicContact CE2-CB 3.9Å; Y253-F523 HydrophobicContact CE2-CD1 4.29Å; Y253-F523 HydrophobicContact CE2-CG 4.29Å; Y253-F523 HydrophobicContact CG-CD1 4.49Å; Y253-S524 WeakPolarHBondContact CE2-O 3.36Å; Y253-S524 WeakPolarHBondContact CE2-OG 3.44Å; Y253-S524 PolarHBondContact OH-O 3.16Å; Y253-S524 VanDerWaalsContact OH-O 3.13Å; Y253-S524 PolarHBondContact OH-OG 3.02Å; Y253-P526 HydrophobicContact CD1-CG 4.38Å; Y253-P526 HydrophobicContact CE1-CB 4.22Å; Y253-P526 HydrophobicContact CE1-CG 3.59Å; Y253-W536 AromaticContact CD1-CE3 3.97Å; Y253-W536 HydrophobicContact CD1-CE3 3.97Å; Y253-W536 AromaticContact CD1-CZ3 3.65Å; Y253-W536 HydrophobicContact CD1-CZ3 3.65Å; Y253-W536 HydrophobicContact CD2-CE3 4.09Å; Y253-W536 HydrophobicContact CE1-CE3 4.21Å; Y253-W536 HydrophobicContact CE1-CZ3 4.06Å; Y253-W536 HydrophobicContact CE2-CE3 4.33Å; Y253-W536 AromaticContact CG-CE3 3.9Å; Y253-W536 HydrophobicContact CG-CE3 3.9Å; Y253-W536 AromaticContact CG-CZ3 3.93Å; Y253-W536 HydrophobicContact CG-CZ3 3.93Å
254	Y	95.8	Very high	95	Very high	136 Å²	136	47 Å²	47	53%	0.533	21%	0.205	S	C	.	.	H	α-helix	trans	-77	-43.5	177.1	-63.5	-71.5	0	0	0	112	P250 I251 A252 H256 R257 P526	P250-Y254 WeakPolarHBondContact O-CD2 3.4Å; I251-Y254 PolarHBondContact O-N 3.02Å; I251-Y254 VanDerWaalsContact O-N 3.07Å; A252-Y254 VanDerWaalsContact C-N 3.29Å; A252-Y254 PolarHBondContact O-N 2.9Å; Y254-H256 VanDerWaalsContact C-N 3.28Å; Y254-H256 PolarHBondContact O-N 3.36Å; Y254-R257 PolarHBondContact O-N 3.15Å; Y254-P526 HydrophobicContact CD1-CG 4.41Å
255	L	96.1	Very high	95.1	Very high	38 Å²	38	52.7 Å²	52.7	20%	0.199	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-37	179.8	-73.1	176.4	0	0	0	112	Y242 I251 A252 R257 S258 F262 H263	Y242-L255 HydrophobicContact CD1-CB 4.08Å; Y242-L255 HydrophobicContact CD1-CD1 4.37Å; Y242-L255 HydrophobicContact CD2-CB 3.94Å; Y242-L255 HydrophobicContact CE1-CB 3.97Å; Y242-L255 HydrophobicContact CE1-CD1 3.69Å; Y242-L255 HydrophobicContact CE2-CB 3.78Å; Y242-L255 HydrophobicContact CG-CB 4.08Å; I251-L255 HydrophobicContact CG2-CD1 3.71Å; I251-L255 HydrophobicContact CG2-CG 3.93Å; I251-L255 WeakPolarHBondContact O-CG 3.49Å; I251-L255 PolarHBondContact O-N 3.29Å; A252-L255 PolarHBondContact O-N 3.47Å; L255-R257 PolarHBondContact O-N 2.96Å; L255-S258 VanDerWaalsContact O-CB 3.23Å; L255-S258 WeakPolarHBondContact O-CB 3.3Å; L255-S258 PolarHBondContact O-N 3.33Å; L255-S258 PolarHBondContact O-OG 3.28Å; L255-F262 HydrophobicContact CD2-CE1 4.31Å; L255-H263 PolarHBondContact O-CE1 3.48Å
256	H	96.1	Very high	95.3	Very high	29 Å²	29	53.7 Å²	53.7	13%	0.134	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-20.9	175	-177.2	62.3	0	0	0	113.8	D239 E243 A252 Y254 F523	D239-H256 PolarHBondContact O-CE1 2.84Å; D239-H256 PolarHBondContact O-ND1 3.46Å; E243-H256 IonicContact OE2-NE2 3.86Å; A252-H256 VanDerWaalsContact O-CB 3.29Å; A252-H256 WeakPolarHBondContact O-CB 3.49Å; A252-H256 PolarHBondContact O-N 2.92Å; Y254-H256 VanDerWaalsContact C-N 3.28Å; Y254-H256 PolarHBondContact O-N 3.36Å; H256-F523 HydrophobicContact CB-CD2 3.94Å; H256-F523 HydrophobicContact CB-CE2 4.09Å; H256-F523 AromaticContact CD2-CD2 3.76Å; H256-F523 AromaticContact CG-CD2 3.89Å
257	R	94.3	Very high	95.5	Very high	97 Å²	97	53.6 Å²	53.6	37%	0.366	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	6.6	179.4	-56.6	-57.3	-171.2	-180	-1.6	113.1	Y254 L255 F523 S524 P526	Y254-R257 PolarHBondContact O-N 3.15Å; L255-R257 PolarHBondContact O-N 2.96Å; R257-F523 PolarHBondContact NH2-O 3.41Å; R257-S524 VanDerWaalsContact NH2-C 3.28Å; R257-S524 PolarHBondContact NH2-O 2.98Å; R257-P526 HydrophobicContact CG-CG 3.98Å
258	S	95.3	Very high	95.7	Very high	29 Å²	29	58.1 Å²	58.1	20%	0.203	26%	0.258	C	S	.	.	S	Bend	trans	-64.8	152.4	177.8	-55.4	0	0	0	0	110.6	L255 H263	L255-S258 VanDerWaalsContact O-CB 3.23Å; L255-S258 WeakPolarHBondContact O-CB 3.3Å; L255-S258 PolarHBondContact O-N 3.33Å; L255-S258 PolarHBondContact O-OG 3.28Å; S258-H263 PolarHBondContact O-NE2 2.97Å
259	P	95.5	Very high	95.8	Very high	66 Å²	66	59.8 Å²	59.8	43%	0.429	27%	0.27	S	S	.	.			trans	-61.1	151.9	177.8	-23.8	34.4	0	0	0	112.5	W261 F262 H263	P259-W261 HydrophobicContact CB-CD2 4.45Å; P259-W261 HydrophobicContact CB-CG 4.28Å; P259-W261 HydrophobicContact CB-CZ2 4.45Å; P259-W261 VanDerWaalsContact CB-NE1 3.27Å; P259-W261 HydrophobicContact CG-CZ2 4.22Å; P259-W261 PolarHBondContact O-N 2.93Å; P259-F262 VanDerWaalsContact O-CB 3.28Å; P259-F262 WeakPolarHBondContact O-CB 3.44Å; P259-F262 PolarHBondContact O-N 2.9Å; P259-H263 PolarHBondContact O-N 3.06Å
260	W	93.8	Very high	95.8	Very high	159 Å²	159	60.4 Å²	60.4	60%	0.602	27%	0.273	S	S	*	.	H	α-helix	trans	-53.1	-33.8	-179.4	65.7	-94.2	0	0	0	114.2	F262 H263 R264	W260-F262 VanDerWaalsContact C-N 3.28Å; W260-F262 PolarHBondContact O-N 2.84Å; W260-H263 PolarHBondContact O-N 3.28Å; W260-R264 HydrophobicContact CE3-CG 4.47Å; W260-R264 VanDerWaalsContact CZ3-NH1 3.32Å; W260-R264 WeakPolarHBondContact O-CG 3.5Å; W260-R264 PolarHBondContact O-N 3.29Å; W260-R264 VanDerWaalsContact O-N 3.09Å
261	W	95.7	Very high	95.9	Very high	150 Å²	150	60.8 Å²	60.8	57%	0.568	27%	0.273	S	S	*	.	H	α-helix	trans	-68.3	-30.5	179.3	61.6	-102.6	0	0	0	111.9	P259 F265	P259-W261 HydrophobicContact CB-CD2 4.45Å; P259-W261 HydrophobicContact CB-CG 4.28Å; P259-W261 HydrophobicContact CB-CZ2 4.45Å; P259-W261 VanDerWaalsContact CB-NE1 3.27Å; P259-W261 HydrophobicContact CG-CZ2 4.22Å; P259-W261 PolarHBondContact O-N 2.93Å; W261-F265 WeakPolarHBondContact O-CB 3.39Å; W261-F265 PolarHBondContact O-N 2.95Å
262	F	96.6	Very high	96	Very high	57 Å²	57	61.7 Å²	61.7	25%	0.25	27%	0.274	C	S	.	.	H	α-helix	trans	-69.6	-46.4	176.2	-178.6	-101.1	0	0	0	110	L255 P259 W260 R264 F265 E266	L255-F262 HydrophobicContact CD2-CE1 4.31Å; P259-F262 VanDerWaalsContact O-CB 3.28Å; P259-F262 WeakPolarHBondContact O-CB 3.44Å; P259-F262 PolarHBondContact O-N 2.9Å; W260-F262 VanDerWaalsContact C-N 3.28Å; W260-F262 PolarHBondContact O-N 2.84Å; F262-R264 VanDerWaalsContact C-N 3.33Å; F262-R264 PolarHBondContact O-N 3.48Å; F262-F265 CarbonylContact O-C 3.52Å; F262-F265 WeakPolarHBondContact O-CA 3.12Å; F262-F265 WeakPolarHBondContact O-CB 3.41Å; F262-F265 PolarHBondContact O-N 3.28Å; F262-E266 HydrophobicContact CD1-CG 4.1Å; F262-E266 HydrophobicContact CE1-CG 3.85Å; F262-E266 WeakPolarHBondContact CE1-OE1 3.47Å; F262-E266 HydrophobicContact CZ-CG 4.12Å; F262-E266 WeakPolarHBondContact CZ-OE1 3.28Å; F262-E266 WeakPolarHBondContact O-CG 3.48Å; F262-E266 PolarHBondContact O-N 3.17Å
263	H	96.3	Very high	96.1	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.019	28%	0.278	C	S	.	.	H	α-helix	trans	-61.7	-36.8	176.6	-70.4	-36.6	0	0	0	114	M238 D239 Y242 L255 S258 P259 W260 E266 T267	M238-H263 HydrophobicContact CB-CB 3.87Å; D239-H263 WeakPolarHBondContact OD1-CB 3.46Å; D239-H263 IonicContact OD1-CD2 3.3Å; D239-H263 PolarHBondContact OD1-CD2 3.22Å; D239-H263 VanDerWaalsContact OD1-CD2 3.3Å; D239-H263 IonicContact OD1-CG 3.69Å; Y242-H263 AromaticContact CD2-CE1 3.89Å; Y242-H263 AromaticContact CE2-CE1 3.77Å; L255-H263 PolarHBondContact O-CE1 3.48Å; S258-H263 PolarHBondContact O-NE2 2.97Å; P259-H263 PolarHBondContact O-N 3.06Å; W260-H263 PolarHBondContact O-N 3.28Å; H263-E266 IonicContact CE1-OE2 2.89Å; H263-E266 IonicContact CG-OE2 2.97Å; H263-E266 IonicContact ND1-OE2 3.86Å; H263-E266 PolarHBondContact ND1-OE2 3.5Å; H263-E266 PolarHBondContact O-N 2.9Å; H263-T267 PolarHBondContact O-N 2.64Å; H263-T267 PolarHBondContact O-OG1 3.44Å
264	R	97.1	Very high	96.2	Very high	111 Å²	111	62.5 Å²	62.5	42%	0.419	28%	0.279	S	S	.	.	H	α-helix	trans	-64.4	-44.4	170.8	-70.6	-175.3	-175.2	-178.1	3.2	111.9	L235 W260 F262 E266 T267 L268	L235-R264 HydrophobicContact CB-CB 4.22Å; L235-R264 HydrophobicContact CB-CG 3.95Å; L235-R264 WeakPolarHBondContact O-CG 3.43Å; W260-R264 HydrophobicContact CE3-CG 4.47Å; W260-R264 VanDerWaalsContact CZ3-NH1 3.32Å; W260-R264 WeakPolarHBondContact O-CG 3.5Å; W260-R264 PolarHBondContact O-N 3.29Å; W260-R264 VanDerWaalsContact O-N 3.09Å; F262-R264 VanDerWaalsContact C-N 3.33Å; F262-R264 PolarHBondContact O-N 3.48Å; R264-E266 VanDerWaalsContact C-N 3.33Å; R264-E266 PolarHBondContact O-N 3.46Å; R264-T267 PolarHBondContact O-N 3.22Å; R264-L268 WeakPolarHBondContact O-CG 3.36Å; R264-L268 PolarHBondContact O-N 2.9Å
265	F	96.8	Very high	96.3	Very high	124 Å²	124	57.7 Å²	57.7	54%	0.544	26%	0.263	S	S	.	.	H	α-helix	trans	-60.9	-41.5	175.4	169.3	-99	0	0	0	112	W261 F262 T267 L268 S269	W261-F265 WeakPolarHBondContact O-CB 3.39Å; W261-F265 PolarHBondContact O-N 2.95Å; F262-F265 CarbonylContact O-C 3.52Å; F262-F265 WeakPolarHBondContact O-CA 3.12Å; F262-F265 WeakPolarHBondContact O-CB 3.41Å; F262-F265 PolarHBondContact O-N 3.28Å; F265-T267 VanDerWaalsContact C-N 3.33Å; F265-T267 PolarHBondContact O-N 3.32Å; F265-L268 PolarHBondContact O-N 2.94Å; F265-S269 WeakPolarHBondContact CZ-OG 3.45Å; F265-S269 WeakPolarHBondContact O-CB 3.42Å; F265-S269 PolarHBondContact O-N 2.97Å; F265-S269 PolarHBondContact O-OG 2.65Å
266	E	96	Very high	96.4	Very high	23 Å²	23	60.7 Å²	60.7	11%	0.107	28%	0.278	C	S	.	.	H	α-helix	trans	-61.4	-43.3	175.1	-71	179.5	127.8	0	0	111.3	M238 Y242 F262 H263 R264 S269 N270	M238-E266 HydrophobicContact CG-CB 4.04Å; Y242-E266 PolarHBondContact OH-OE1 2.96Å; F262-E266 HydrophobicContact CD1-CG 4.1Å; F262-E266 HydrophobicContact CE1-CG 3.85Å; F262-E266 WeakPolarHBondContact CE1-OE1 3.47Å; F262-E266 HydrophobicContact CZ-CG 4.12Å; F262-E266 WeakPolarHBondContact CZ-OE1 3.28Å; F262-E266 WeakPolarHBondContact O-CG 3.48Å; F262-E266 PolarHBondContact O-N 3.17Å; H263-E266 IonicContact CE1-OE2 2.89Å; H263-E266 IonicContact CG-OE2 2.97Å; H263-E266 IonicContact ND1-OE2 3.86Å; H263-E266 PolarHBondContact ND1-OE2 3.5Å; H263-E266 PolarHBondContact O-N 2.9Å; R264-E266 VanDerWaalsContact C-N 3.33Å; R264-E266 PolarHBondContact O-N 3.46Å; E266-S269 PolarHBondContact O-N 2.9Å; E266-N270 PolarHBondContact O-N 3.3Å; E266-N270 PolarHBondContact O-ND2 3.09Å
267	T	96	Very high	96.5	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-44.3	178.2	-57.9	0	0	0	0	110.8	W232 L235 M238 H263 R264 F265 S269 N270 H271	W232-T267 HydrophobicContact CE3-CG2 3.79Å; W232-T267 HydrophobicContact CZ3-CG2 4.14Å; L235-T267 HydrophobicContact CB-CG2 4.37Å; L235-T267 HydrophobicContact CD2-CG2 3.75Å; M238-T267 VanDerWaalsContact CG-OG1 3.3Å; M238-T267 WeakPolarHBondContact CG-OG1 3.44Å; H263-T267 PolarHBondContact O-N 2.64Å; H263-T267 PolarHBondContact O-OG1 3.44Å; R264-T267 PolarHBondContact O-N 3.22Å; F265-T267 VanDerWaalsContact C-N 3.33Å; F265-T267 PolarHBondContact O-N 3.32Å; T267-S269 VanDerWaalsContact C-N 3.32Å; T267-S269 PolarHBondContact O-N 3.43Å; T267-N270 WeakPolarHBondContact O-CB 3.42Å; T267-N270 PolarHBondContact O-N 2.9Å; T267-H271 PolarHBondContact O-N 3.35Å; T267-H271 VanDerWaalsContact O-N 3.09Å; T267-H271 PolarHBondContact O-ND1 2.92Å
268	L	96.7	Very high	96.6	Very high	94 Å²	94	54.7 Å²	54.7	49%	0.492	26%	0.255	S	S	.	.	H	α-helix	trans	-61.2	-40.1	173.8	-72.9	171.4	0	0	0	112.3	L235 R264 F265 H271 F272	L235-L268 HydrophobicContact CD1-CD1 4.11Å; L235-L268 HydrophobicContact CD1-CD2 3.87Å; L235-L268 HydrophobicContact CD1-CG 3.87Å; L235-L268 HydrophobicContact CD2-CD2 3.74Å; L235-L268 HydrophobicContact CD2-CG 3.99Å; L235-L268 HydrophobicContact CG-CD2 4.49Å; R264-L268 WeakPolarHBondContact O-CG 3.36Å; R264-L268 PolarHBondContact O-N 2.9Å; F265-L268 PolarHBondContact O-N 2.94Å; L268-H271 PolarHBondContact O-N 3.18Å; L268-F272 PolarHBondContact O-N 3.23Å
269	S	96.4	Very high	96.8	Very high	36 Å²	36	58.1 Å²	58.1	25%	0.252	27%	0.266	S	S	.	.	H	α-helix	trans	-64.4	-40.7	177	-61.8	0	0	0	0	111.8	F265 E266 T267 F272 V273	F265-S269 WeakPolarHBondContact CZ-OG 3.45Å; F265-S269 WeakPolarHBondContact O-CB 3.42Å; F265-S269 PolarHBondContact O-N 2.97Å; F265-S269 PolarHBondContact O-OG 2.65Å; E266-S269 PolarHBondContact O-N 2.9Å; T267-S269 VanDerWaalsContact C-N 3.32Å; T267-S269 PolarHBondContact O-N 3.43Å; S269-F272 PolarHBondContact O-N 3.27Å; S269-V273 WeakPolarHBondContact O-CG2 3.38Å; S269-V273 PolarHBondContact O-N 3.15Å
270	N	95.4	Very high	96.9	Very high	14 Å²	14	56.6 Å²	56.6	8%	0.075	25%	0.253	C	S	.	.	H	α-helix	trans	-55.5	-52.3	171	-84.2	-82.9	0	0	0	110.5	K225 E266 T267 F272 V273 E274 F298	K225-N270 PolarHBondContact NZ-OD1 2.92Å; E266-N270 PolarHBondContact O-N 3.3Å; E266-N270 PolarHBondContact O-ND2 3.09Å; T267-N270 WeakPolarHBondContact O-CB 3.42Å; T267-N270 PolarHBondContact O-N 2.9Å; N270-F272 VanDerWaalsContact C-N 3.32Å; N270-F272 PolarHBondContact O-N 2.81Å; N270-V273 PolarHBondContact O-N 3.01Å; N270-E274 VanDerWaalsContact O-CB 3.25Å; N270-E274 WeakPolarHBondContact O-CB 3.32Å; N270-E274 WeakPolarHBondContact O-CG 3.43Å; N270-E274 PolarHBondContact O-N 3.28Å; N270-F298 WeakPolarHBondContact OD1-CE2 3.22Å; N270-F298 WeakPolarHBondContact OD1-CZ 3.38Å
271	H	96.9	Very high	97.1	Very high	31 Å²	31	49.1 Å²	49.1	14%	0.144	23%	0.225	C	C	.	.	H	α-helix	trans	-58.4	-43.1	178.7	-71.3	90.2	0	0	0	112.2	V226 W232 T267 L268 L275	V226-H271 VanDerWaalsContact CG2-CD2 3.42Å; V226-H271 WeakPolarHBondContact CG2-CD2 3.35Å; V226-H271 WeakPolarHBondContact CG2-NE2 3.41Å; W232-H271 PolarHBondContact O-CE1 2.9Å; W232-H271 VanDerWaalsContact O-CE1 3.25Å; T267-H271 PolarHBondContact O-N 3.35Å; T267-H271 VanDerWaalsContact O-N 3.09Å; T267-H271 PolarHBondContact O-ND1 2.92Å; L268-H271 PolarHBondContact O-N 3.18Å; H271-L275 HydrophobicContact CB-CD1 4.34Å; H271-L275 WeakPolarHBondContact O-CB 3.46Å; H271-L275 PolarHBondContact O-N 2.87Å
272	F	97.9	Very high	97.1	Very high	91 Å²	91	47.7 Å²	47.7	40%	0.399	22%	0.223	S	C	.	.	I	π-helix	trans	-60.9	-50.6	177.5	176	-101.4	0	0	0	112	L268 S269 N270 L276 V277 F280 L294	L268-F272 PolarHBondContact O-N 3.23Å; S269-F272 PolarHBondContact O-N 3.27Å; N270-F272 VanDerWaalsContact C-N 3.32Å; N270-F272 PolarHBondContact O-N 2.81Å; F272-L276 HydrophobicContact CD2-CB 4.18Å; F272-L276 HydrophobicContact CD2-CD1 3.77Å; F272-L276 HydrophobicContact CE2-CB 4.4Å; F272-L276 HydrophobicContact CE2-CD1 4.29Å; F272-L276 WeakPolarHBondContact O-CB 3.24Å; F272-L276 PolarHBondContact O-N 3.35Å; F272-V277 HydrophobicContact CD1-CG2 3.86Å; F272-V277 HydrophobicContact CE1-CG2 3.49Å; F272-V277 VanDerWaalsContact CE1-CG2 3.49Å; F272-V277 HydrophobicContact CZ-CG2 3.92Å; F272-V277 PolarHBondContact O-N 2.88Å; F272-F280 HydrophobicContact CZ-CZ 4.39Å; F272-L294 HydrophobicContact CE1-CD1 4.4Å
273	V	97.9	Very high	97.1	Very high	14 Å²	14	50.1 Å²	50.1	9%	0.085	24%	0.238	C	C	.	.	I	π-helix	trans	-72	-31.8	-176.2	178.2	0	0	0	0	112.7	M218 S269 N270 P278 Q295 F298	M218-V273 HydrophobicContact CE-CG1 4.11Å; S269-V273 WeakPolarHBondContact O-CG2 3.38Å; S269-V273 PolarHBondContact O-N 3.15Å; N270-V273 PolarHBondContact O-N 3.01Å; V273-P278 WeakPolarHBondContact O-CD 3.25Å; V273-Q295 PolarHBondContact O-NE2 3.47Å; V273-Q295 VanDerWaalsContact O-NE2 3.14Å; V273-F298 HydrophobicContact CB-CD2 4.32Å; V273-F298 HydrophobicContact CB-CG 4.31Å; V273-F298 HydrophobicContact CG1-CB 3.81Å; V273-F298 HydrophobicContact CG1-CD1 3.85Å; V273-F298 HydrophobicContact CG1-CD2 4.19Å; V273-F298 HydrophobicContact CG1-CE1 4.46Å; V273-F298 HydrophobicContact CG1-CG 3.69Å; V273-F298 HydrophobicContact CG2-CD2 4.42Å
274	E	97.6	Very high	97	Very high	9 Å²	9	51.6 Å²	51.6	4%	0.042	25%	0.254	C	S	.	.	I	π-helix	trans	-89.9	-31.7	-177.3	-70.8	177	159.2	0	0	113.3	M218 L219 K225 N270 P278 F298	M218-E274 CarbonylContact C-O 3.56Å; M218-E274 VanDerWaalsContact C-O 3.27Å; M218-E274 HydrophobicContact CE-CG 3.55Å; M218-E274 WeakPolarHBondContact O-CB 3.47Å; M218-E274 VanDerWaalsContact O-O 3.09Å; L219-E274 WeakPolarHBondContact CA-O 3.4Å; L219-E274 PolarHBondContact N-O 2.88Å; K225-E274 VanDerWaalsContact CD-OE2 3.32Å; K225-E274 WeakPolarHBondContact CD-OE2 3.4Å; K225-E274 WeakPolarHBondContact CE-OE2 3.3Å; K225-E274 IonicContact NZ-OE1 3.74Å; K225-E274 PolarHBondContact NZ-OE1 2.96Å; K225-E274 IonicContact NZ-OE2 2.82Å; K225-E274 PolarHBondContact NZ-OE2 2.96Å; N270-E274 VanDerWaalsContact O-CB 3.25Å; N270-E274 WeakPolarHBondContact O-CB 3.32Å; N270-E274 WeakPolarHBondContact O-CG 3.43Å; N270-E274 PolarHBondContact O-N 3.28Å; E274-P278 VanDerWaalsContact O-CG 3.26Å; E274-P278 WeakPolarHBondContact O-CG 3.42Å; E274-F298 HydrophobicContact CG-CE1 4.25Å; E274-F298 HydrophobicContact CG-CZ 4.37Å
275	L	97.1	Very high	96.9	Very high	36 Å²	36	50.7 Å²	50.7	19%	0.188	25%	0.25	C	S	.	.	I	π-helix	trans	-104	-36.6	-176.3	-61.2	171.6	0	0	0	113.7	L219 G222 L223 V226 H271 F279	L219-L275 HydrophobicContact CD1-CD2 4.12Å; G222-L275 VanDerWaalsContact C-CD2 3.49Å; L223-L275 HydrophobicContact CD2-CD2 3.95Å; L223-L275 HydrophobicContact CG-CD2 4Å; V226-L275 HydrophobicContact CG2-CD1 3.83Å; H271-L275 HydrophobicContact CB-CD1 4.34Å; H271-L275 WeakPolarHBondContact O-CB 3.46Å; H271-L275 PolarHBondContact O-N 2.87Å; L275-F279 VanDerWaalsContact O-CD2 3.24Å; L275-F279 WeakPolarHBondContact O-CD2 3.18Å; L275-F279 WeakPolarHBondContact O-CE2 3.42Å
276	L	98.1	Very high	96.9	Very high	101 Å²	101	55 Å²	55	53%	0.529	26%	0.263	S	S	.	.	I	π-helix	trans	-98.8	-48.4	-174	-65.2	175.5	0	0	0	112.5	F272 P278 F279	F272-L276 HydrophobicContact CD2-CB 4.18Å; F272-L276 HydrophobicContact CD2-CD1 3.77Å; F272-L276 HydrophobicContact CE2-CB 4.4Å; F272-L276 HydrophobicContact CE2-CD1 4.29Å; F272-L276 WeakPolarHBondContact O-CB 3.24Å; F272-L276 PolarHBondContact O-N 3.35Å; L276-P278 VanDerWaalsContact C-N 3.33Å; L276-F279 PolarHBondContact O-N 3.09Å; L276-F279 VanDerWaalsContact O-N 3.16Å
277	V	98.4	Very high	97	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-55.4	-38.5	-177.7	174.2	0	0	0	0	113.1	F272 F279 F280 H291 L294	F272-V277 HydrophobicContact CD1-CG2 3.86Å; F272-V277 HydrophobicContact CE1-CG2 3.49Å; F272-V277 VanDerWaalsContact CE1-CG2 3.49Å; F272-V277 HydrophobicContact CZ-CG2 3.92Å; F272-V277 PolarHBondContact O-N 2.88Å; V277-F279 PolarHBondContact O-N 2.68Å; V277-F280 HydrophobicContact CG1-CD2 4.22Å; V277-F280 HydrophobicContact CG2-CE2 4.26Å; V277-F280 WeakPolarHBondContact O-CB 3.35Å; V277-F280 WeakPolarHBondContact O-CG 3.36Å; V277-F280 PolarHBondContact O-N 3.31Å; V277-H291 HydrophobicContact CG1-CB 4.3Å; V277-H291 PolarHBondContact O-CD2 3.21Å; V277-H291 VanDerWaalsContact O-CD2 3.31Å; V277-L294 HydrophobicContact CG1-CB 4.12Å; V277-L294 HydrophobicContact CG1-CD1 4.09Å; V277-L294 HydrophobicContact CG2-CD1 3.79Å
278	P	97.9	Very high	97	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-54.5	-32.9	-180	-28.7	38.7	0	0	0	114	F215 M218 V273 E274 L276 F280 L281	F215-P278 HydrophobicContact CD2-CB 3.49Å; F215-P278 VanDerWaalsContact CD2-CB 3.49Å; F215-P278 WeakPolarHBondContact CD2-O 3.21Å; F215-P278 HydrophobicContact CE2-CB 3.77Å; F215-P278 HydrophobicContact CG-CB 4.35Å; M218-P278 HydrophobicContact CB-CG 3.72Å; V273-P278 WeakPolarHBondContact O-CD 3.25Å; E274-P278 VanDerWaalsContact O-CG 3.26Å; E274-P278 WeakPolarHBondContact O-CG 3.42Å; L276-P278 VanDerWaalsContact C-N 3.33Å; P278-F280 PolarHBondContact O-N 2.78Å; P278-L281 WeakPolarHBondContact O-CB 3.48Å; P278-L281 WeakPolarHBondContact O-CG 3.47Å; P278-L281 PolarHBondContact O-N 3.49Å
279	F	98	Very high	97.1	Very high	101 Å²	101	56.3 Å²	56.3	44%	0.443	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-67.4	-18.9	178.3	-67.9	-82.2	0	0	0	113.6	F215 L219 L275 L276 V277 L281 F282	F215-F279 HydrophobicContact CE2-CD1 4.21Å; F215-F279 HydrophobicContact CE2-CE1 4.25Å; F215-F279 HydrophobicContact CE2-CG 4.46Å; F215-F279 HydrophobicContact CZ-CD1 4.49Å; F215-F279 HydrophobicContact CZ-CE1 4.1Å; F215-F279 HydrophobicContact CZ-CZ 4.3Å; L219-F279 HydrophobicContact CD1-CE2 4.16Å; L219-F279 HydrophobicContact CD1-CZ 4.49Å; L275-F279 VanDerWaalsContact O-CD2 3.24Å; L275-F279 WeakPolarHBondContact O-CD2 3.18Å; L275-F279 WeakPolarHBondContact O-CE2 3.42Å; L276-F279 PolarHBondContact O-N 3.09Å; L276-F279 VanDerWaalsContact O-N 3.16Å; V277-F279 PolarHBondContact O-N 2.68Å; F279-L281 PolarHBondContact O-N 2.76Å; F279-L281 VanDerWaalsContact O-N 3.1Å; F279-F282 PolarHBondContact O-N 3.45Å
280	F	98.4	Very high	97.1	Very high	34 Å²	34	58.1 Å²	58.1	15%	0.149	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-61.8	-19.4	175.2	-67.7	4.5	0	0	0	112.5	F272 V277 P278 F282 L283 M287 L290 H291 L294	F272-F280 HydrophobicContact CZ-CZ 4.39Å; V277-F280 HydrophobicContact CG1-CD2 4.22Å; V277-F280 HydrophobicContact CG2-CE2 4.26Å; V277-F280 WeakPolarHBondContact O-CB 3.35Å; V277-F280 WeakPolarHBondContact O-CG 3.36Å; V277-F280 PolarHBondContact O-N 3.31Å; P278-F280 PolarHBondContact O-N 2.78Å; F280-F282 PolarHBondContact O-N 3.2Å; F280-L283 HydrophobicContact CD1-CD1 3.97Å; F280-L283 PolarHBondContact O-N 3.28Å; F280-M287 HydrophobicContact CB-CB 4.08Å; F280-M287 HydrophobicContact CB-CE 4.3Å; F280-M287 HydrophobicContact CD1-CE 3.73Å; F280-M287 HydrophobicContact CD2-CE 3.52Å; F280-M287 HydrophobicContact CE1-CE 3.82Å; F280-M287 HydrophobicContact CE2-CE 3.61Å; F280-M287 HydrophobicContact CG-CE 3.58Å; F280-M287 HydrophobicContact CZ-CE 3.76Å; F280-M287 CarbonylContact O-C 3.57Å; F280-M287 WeakPolarHBondContact O-CB 3.42Å; F280-L290 HydrophobicContact CD2-CD2 4.17Å; F280-L290 HydrophobicContact CD2-CG 4.35Å; F280-L290 HydrophobicContact CE2-CD2 3.9Å; F280-L290 HydrophobicContact CE2-CG 4.37Å; F280-H291 HydrophobicContact CB-CB 3.99Å; F280-L294 HydrophobicContact CE2-CD1 4.22Å
281	L	97.4	Very high	97.3	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.01	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-57.5	-28.3	173.3	-72.1	172.3	0	0	0	113.2	R211 I214 F215 P278 F279 R288 H291	R211-L281 HydrophobicContact CB-CD1 4.4Å; R211-L281 HydrophobicContact CB-CD2 4.25Å; R211-L281 HydrophobicContact CG-CD2 4.14Å; R211-L281 WeakPolarHBondContact O-CD1 3.3Å; I214-L281 HydrophobicContact CG2-CD1 4.23Å; F215-L281 HydrophobicContact CB-CD1 3.8Å; F215-L281 HydrophobicContact CD2-CD1 4.22Å; P278-L281 WeakPolarHBondContact O-CB 3.48Å; P278-L281 WeakPolarHBondContact O-CG 3.47Å; P278-L281 PolarHBondContact O-N 3.49Å; F279-L281 PolarHBondContact O-N 2.76Å; F279-L281 VanDerWaalsContact O-N 3.1Å; L281-R288 HydrophobicContact CD2-CG 4.33Å; L281-R288 WeakPolarHBondContact O-CD 3.21Å; L281-R288 VanDerWaalsContact O-CG 3.24Å; L281-R288 WeakPolarHBondContact O-CG 3.45Å; L281-H291 HydrophobicContact CD2-CB 4.47Å
282	F	96.8	Very high	97.3	Very high	120 Å²	120	56 Å²	56	53%	0.526	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-94.2	-8.9	-177.6	-53.1	-70.1	0	0	0	113.4	W208 F215 F279 F280 G284	W208-F282 HydrophobicContact CH2-CD1 4.4Å; W208-F282 HydrophobicContact CZ3-CD1 4.37Å; W208-F282 HydrophobicContact CZ3-CE1 4.18Å; F215-F282 AromaticContact CD2-CE2 3.9Å; F215-F282 HydrophobicContact CD2-CE2 3.9Å; F215-F282 HydrophobicContact CD2-CZ 4.33Å; F215-F282 AromaticContact CE2-CE2 3.61Å; F215-F282 HydrophobicContact CE2-CE2 3.61Å; F215-F282 HydrophobicContact CE2-CZ 4.31Å; F215-F282 HydrophobicContact CZ-CE2 4.18Å; F279-F282 PolarHBondContact O-N 3.45Å; F280-F282 PolarHBondContact O-N 3.2Å; F282-G284 PolarHBondContact O-N 3.41Å
283	L	95.9	Very high	97.4	Very high	108 Å²	108	55 Å²	55	57%	0.565	26%	0.263	S	S	*	.	S	Bend	trans	-95.5	29.8	-171.6	-57.3	179.6	0	0	0	114	F280 M287	F280-L283 HydrophobicContact CD1-CD1 3.97Å; F280-L283 PolarHBondContact O-N 3.28Å; L283-M287 HydrophobicContact CB-CB 3.65Å; L283-M287 HydrophobicContact CB-CG 3.66Å; L283-M287 HydrophobicContact CD1-CE 4.4Å; L283-M287 WeakPolarHBondContact O-CG 3.44Å
284	G	94.9	Very high	97.4	Very high	35 Å²	35	56.2 Å²	56.2	36%	0.361	27%	0.269	S	S	.	.	H	α-helix	trans	87.7	-170.2	176.1	0	0	0	0	0	115.4	F282 R288	F282-G284 PolarHBondContact O-N 3.41Å; G284-R288 WeakPolarHBondContact O-CB 3.48Å; G284-R288 VanDerWaalsContact O-CG 3.28Å; G284-R288 WeakPolarHBondContact O-CG 3.45Å; G284-R288 PolarHBondContact O-N 3.17Å; G284-R288 VanDerWaalsContact O-N 3.13Å; G284-R288 PolarHBondContact O-NE 3.13Å
285	R	94.6	Very high	97.4	Very high	91 Å²	91	55.8 Å²	55.8	34%	0.343	27%	0.267	S	S	.	.	H	α-helix	trans	-66.6	-49.2	-171.3	-178.7	-179.8	176.8	-86.8	-5.2	113.4	M287 R288 I289 D324	R285-M287 PolarHBondContact O-N 2.87Å; R285-R288 PolarHBondContact O-N 3.2Å; R285-I289 HydrophobicContact CG-CD1 4.15Å; R285-I289 PolarHBondContact O-N 3.02Å; R285-I289 VanDerWaalsContact O-N 3.07Å; R285-D324 IonicContact CZ-OD1 3.72Å; R285-D324 IonicContact CZ-OD2 3.36Å; R285-D324 IonicContact NE-OD1 3.8Å; R285-D324 IonicContact NE-OD2 2.74Å; R285-D324 PolarHBondContact NE-OD2 3.3Å; R285-D324 IonicContact NH2-OD1 2.81Å; R285-D324 PolarHBondContact NH2-OD1 3.29Å; R285-D324 IonicContact NH2-OD2 3.13Å; R285-D324 PolarHBondContact NH2-OD2 3.43Å; R285-D324 VanDerWaalsContact NH2-OD2 3.13Å
286	R	96.4	Very high	97.5	Very high	216 Å²	216	56.1 Å²	56.1	82%	0.815	27%	0.268	S	S	*	.	H	α-helix	trans	-62.4	-44.8	-175.2	-67	-176.7	-177.8	173.8	0.8	111.1	I289 L290	R286-I289 PolarHBondContact O-N 2.88Å; R286-L290 PolarHBondContact O-N 3.33Å
287	M	97.8	Very high	97.5	Very high	53 Å²	53	55.8 Å²	55.8	26%	0.261	27%	0.267	S	S	.	.	H	α-helix	trans	-68.1	-35.5	178.3	-61.4	-53	-68.4	0	0	112.6	F280 L283 R285 L290 H291	F280-M287 HydrophobicContact CB-CB 4.08Å; F280-M287 HydrophobicContact CB-CE 4.3Å; F280-M287 HydrophobicContact CD1-CE 3.73Å; F280-M287 HydrophobicContact CD2-CE 3.52Å; F280-M287 HydrophobicContact CE1-CE 3.82Å; F280-M287 HydrophobicContact CE2-CE 3.61Å; F280-M287 HydrophobicContact CG-CE 3.58Å; F280-M287 HydrophobicContact CZ-CE 3.76Å; F280-M287 CarbonylContact O-C 3.57Å; F280-M287 WeakPolarHBondContact O-CB 3.42Å; L283-M287 HydrophobicContact CB-CB 3.65Å; L283-M287 HydrophobicContact CB-CG 3.66Å; L283-M287 HydrophobicContact CD1-CE 4.4Å; L283-M287 WeakPolarHBondContact O-CG 3.44Å; R285-M287 PolarHBondContact O-N 2.87Å; M287-L290 HydrophobicContact CE-CD2 4.04Å; M287-L290 PolarHBondContact O-N 3.38Å; M287-L290 HydrophobicContact SD-CD2 4.24Å; M287-H291 WeakPolarHBondContact O-CB 3.37Å; M287-H291 PolarHBondContact O-N 2.95Å
288	R	96.9	Very high	97.5	Very high	54 Å²	54	56.7 Å²	56.7	20%	0.204	27%	0.27	C	S	.	.	H	α-helix	trans	-60.1	-44.4	170.4	-81.1	-178	-61.4	171.3	2.7	112.7	R211 L281 G284 R285 H291 G292 C322	R211-R288 VanDerWaalsContact NH1-NH1 3.11Å; L281-R288 HydrophobicContact CD2-CG 4.33Å; L281-R288 WeakPolarHBondContact O-CD 3.21Å; L281-R288 VanDerWaalsContact O-CG 3.24Å; L281-R288 WeakPolarHBondContact O-CG 3.45Å; G284-R288 WeakPolarHBondContact O-CB 3.48Å; G284-R288 VanDerWaalsContact O-CG 3.28Å; G284-R288 WeakPolarHBondContact O-CG 3.45Å; G284-R288 PolarHBondContact O-N 3.17Å; G284-R288 VanDerWaalsContact O-N 3.13Å; G284-R288 PolarHBondContact O-NE 3.13Å; R285-R288 PolarHBondContact O-N 3.2Å; R288-H291 WeakPolarHBondContact O-CB 3.19Å; R288-H291 PolarHBondContact O-N 3.41Å; R288-G292 PolarHBondContact O-N 3.14Å; R288-C322 VanDerWaalsContact O-CB 3.29Å; R288-C322 WeakPolarHBondContact O-CB 3.49Å
289	I	97.5	Very high	97.5	Very high	36 Å²	36	57 Å²	57	19%	0.185	27%	0.272	C	S	.	.	H	α-helix	trans	-64.6	-44.8	176.8	-67.5	170.7	0	0	0	110	R285 R286 H291 G292 V293 F323 A327	R285-I289 HydrophobicContact CG-CD1 4.15Å; R285-I289 PolarHBondContact O-N 3.02Å; R285-I289 VanDerWaalsContact O-N 3.07Å; R286-I289 PolarHBondContact O-N 2.88Å; I289-H291 VanDerWaalsContact C-N 3.33Å; I289-H291 PolarHBondContact O-N 3.3Å; I289-G292 PolarHBondContact O-N 2.96Å; I289-G292 VanDerWaalsContact O-N 3.13Å; I289-V293 HydrophobicContact CG2-CG2 4.45Å; I289-V293 WeakPolarHBondContact O-CG2 3.29Å; I289-V293 PolarHBondContact O-N 2.8Å; I289-F323 HydrophobicContact CG2-CD1 4.13Å; I289-F323 HydrophobicContact CG2-CE1 3.98Å; I289-A327 HydrophobicContact CD1-CB 4.2Å
290	L	98.3	Very high	97.5	Very high	74 Å²	74	54.9 Å²	54.9	39%	0.387	27%	0.267	S	S	.	.	H	α-helix	trans	-58.6	-44	176	-178.5	61.2	0	0	0	111.8	F280 R286 M287 V293 L294	F280-L290 HydrophobicContact CD2-CD2 4.17Å; F280-L290 HydrophobicContact CD2-CG 4.35Å; F280-L290 HydrophobicContact CE2-CD2 3.9Å; F280-L290 HydrophobicContact CE2-CG 4.37Å; R286-L290 PolarHBondContact O-N 3.33Å; M287-L290 HydrophobicContact CE-CD2 4.04Å; M287-L290 PolarHBondContact O-N 3.38Å; M287-L290 HydrophobicContact SD-CD2 4.24Å; L290-V293 PolarHBondContact O-N 2.61Å; L290-L294 HydrophobicContact CD1-CD1 4.02Å; L290-L294 HydrophobicContact CD1-CG 4.04Å; L290-L294 HydrophobicContact CG-CD1 3.88Å; L290-L294 HydrophobicContact CG-CG 4.33Å; L290-L294 WeakPolarHBondContact O-CB 3.45Å; L290-L294 VanDerWaalsContact O-CG 3.31Å; L290-L294 WeakPolarHBondContact O-CG 3.36Å; L290-L294 PolarHBondContact O-N 3.42Å
291	H	98.4	Very high	97.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-53.1	-55.2	170.9	169.5	-80.2	0	0	0	110.9	V277 F280 L281 M287 R288 I289 V293 L294 Q295 C322	V277-H291 HydrophobicContact CG1-CB 4.3Å; V277-H291 PolarHBondContact O-CD2 3.21Å; V277-H291 VanDerWaalsContact O-CD2 3.31Å; F280-H291 HydrophobicContact CB-CB 3.99Å; L281-H291 HydrophobicContact CD2-CB 4.47Å; M287-H291 WeakPolarHBondContact O-CB 3.37Å; M287-H291 PolarHBondContact O-N 2.95Å; R288-H291 WeakPolarHBondContact O-CB 3.19Å; R288-H291 PolarHBondContact O-N 3.41Å; I289-H291 VanDerWaalsContact C-N 3.33Å; I289-H291 PolarHBondContact O-N 3.3Å; H291-V293 VanDerWaalsContact C-N 3.29Å; H291-V293 PolarHBondContact O-N 2.91Å; H291-L294 PolarHBondContact O-N 3.48Å; H291-Q295 VanDerWaalsContact CE1-CG 3.41Å; H291-Q295 WeakPolarHBondContact CE1-CG 3.34Å; H291-Q295 WeakPolarHBondContact O-CB 3.46Å; H291-Q295 VanDerWaalsContact O-CG 3.27Å; H291-Q295 WeakPolarHBondContact O-CG 3.33Å; H291-Q295 PolarHBondContact O-N 3.07Å; H291-C322 PolarHBondContact ND1-SG 2.88Å; H291-C322 VanDerWaalsContact ND1-SG 3.41Å
292	G	98.1	Very high	97.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-55.1	-43.3	-179.9	0	0	0	0	0	112.8	R288 I289 I296 F323	R288-G292 PolarHBondContact O-N 3.14Å; I289-G292 PolarHBondContact O-N 2.96Å; I289-G292 VanDerWaalsContact O-N 3.13Å; G292-I296 WeakPolarHBondContact O-CB 3.45Å; G292-I296 WeakPolarHBondContact O-CG1 3.29Å; G292-I296 PolarHBondContact O-N 2.8Å; G292-F323 VanDerWaalsContact C-CZ 3.48Å
293	V	98.4	Very high	97.2	Very high	70 Å²	70	54.2 Å²	54.2	42%	0.424	27%	0.269	S	S	.	.	H	α-helix	trans	-65.8	-49.4	178.4	173.4	0	0	0	0	111.4	I289 L290 H291 Q295 I296 L297 F323	I289-V293 HydrophobicContact CG2-CG2 4.45Å; I289-V293 WeakPolarHBondContact O-CG2 3.29Å; I289-V293 PolarHBondContact O-N 2.8Å; L290-V293 PolarHBondContact O-N 2.61Å; H291-V293 VanDerWaalsContact C-N 3.29Å; H291-V293 PolarHBondContact O-N 2.91Å; V293-Q295 VanDerWaalsContact C-N 3.33Å; V293-Q295 PolarHBondContact O-N 3.14Å; V293-I296 PolarHBondContact O-N 3.46Å; V293-L297 WeakPolarHBondContact O-CB 3.42Å; V293-L297 PolarHBondContact O-N 3.44Å; V293-F323 HydrophobicContact CG2-CE1 3.73Å; V293-F323 HydrophobicContact CG2-CZ 3.88Å
294	L	98.5	Very high	97.1	Very high	41 Å²	41	53.2 Å²	53.2	22%	0.215	26%	0.264	C	S	.	.	H	α-helix	trans	-62.3	-41.5	-179.7	-70.3	174.4	0	0	0	111.4	F272 V277 F280 L290 H291 F298	F272-L294 HydrophobicContact CE1-CD1 4.4Å; V277-L294 HydrophobicContact CG1-CB 4.12Å; V277-L294 HydrophobicContact CG1-CD1 4.09Å; V277-L294 HydrophobicContact CG2-CD1 3.79Å; F280-L294 HydrophobicContact CE2-CD1 4.22Å; L290-L294 HydrophobicContact CD1-CD1 4.02Å; L290-L294 HydrophobicContact CD1-CG 4.04Å; L290-L294 HydrophobicContact CG-CD1 3.88Å; L290-L294 HydrophobicContact CG-CG 4.33Å; L290-L294 WeakPolarHBondContact O-CB 3.45Å; L290-L294 VanDerWaalsContact O-CG 3.31Å; L290-L294 WeakPolarHBondContact O-CG 3.36Å; L290-L294 PolarHBondContact O-N 3.42Å; H291-L294 PolarHBondContact O-N 3.48Å; L294-F298 VanDerWaalsContact O-CB 3.23Å; L294-F298 WeakPolarHBondContact O-CB 3.35Å; L294-F298 PolarHBondContact O-N 3.49Å
295	Q	98.2	Very high	97.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.8	-46.5	176.3	-65.8	-53.3	-14.8	0	0	111.8	I214 M218 V273 H291 V293 L297 F298 Q299 S319	I214-Q295 HydrophobicContact CG1-CG 4.25Å; M218-Q295 PolarHBondContact SD-OE1 2.92Å; M218-Q295 VanDerWaalsContact SD-OE1 3.38Å; V273-Q295 PolarHBondContact O-NE2 3.47Å; V273-Q295 VanDerWaalsContact O-NE2 3.14Å; H291-Q295 VanDerWaalsContact CE1-CG 3.41Å; H291-Q295 WeakPolarHBondContact CE1-CG 3.34Å; H291-Q295 WeakPolarHBondContact O-CB 3.46Å; H291-Q295 VanDerWaalsContact O-CG 3.27Å; H291-Q295 WeakPolarHBondContact O-CG 3.33Å; H291-Q295 PolarHBondContact O-N 3.07Å; V293-Q295 VanDerWaalsContact C-N 3.33Å; V293-Q295 PolarHBondContact O-N 3.14Å; Q295-L297 PolarHBondContact O-N 3.06Å; Q295-F298 PolarHBondContact O-N 3.46Å; Q295-Q299 VanDerWaalsContact O-CG 3.29Å; Q295-Q299 WeakPolarHBondContact O-CG 3.06Å; Q295-Q299 PolarHBondContact O-N 3.49Å; Q295-S319 WeakPolarHBondContact CB-OG 3.15Å
296	I	98.4	Very high	96.9	Very high	42 Å²	42	47.6 Å²	47.6	22%	0.215	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-46.3	178	-69.6	172.7	0	0	0	110.8	G292 V293 F298 Q299 V300 I316 L320 F323	G292-I296 WeakPolarHBondContact O-CB 3.45Å; G292-I296 WeakPolarHBondContact O-CG1 3.29Å; G292-I296 PolarHBondContact O-N 2.8Å; V293-I296 PolarHBondContact O-N 3.46Å; I296-F298 VanDerWaalsContact C-N 3.32Å; I296-F298 PolarHBondContact O-N 3.42Å; I296-Q299 PolarHBondContact O-N 2.86Å; I296-V300 HydrophobicContact CG2-CG2 4.35Å; I296-V300 VanDerWaalsContact O-CG2 3.3Å; I296-V300 WeakPolarHBondContact O-CG2 3.45Å; I296-V300 PolarHBondContact O-N 3.4Å; I296-I316 HydrophobicContact CG1-CG2 4.16Å; I296-L320 HydrophobicContact CD1-CD2 4Å; I296-F323 HydrophobicContact CD1-CE2 3.62Å; I296-F323 HydrophobicContact CD1-CZ 3.98Å
297	L	98.3	Very high	96.7	Very high	94 Å²	94	37.3 Å²	37.3	49%	0.492	19%	0.194	S	C	.	.	H	α-helix	trans	-59.3	-45.4	178.4	179	62.9	0	0	0	111.3	V293 Q295 V300 I301	V293-L297 WeakPolarHBondContact O-CB 3.42Å; V293-L297 PolarHBondContact O-N 3.44Å; Q295-L297 PolarHBondContact O-N 3.06Å; L297-V300 PolarHBondContact O-N 3.01Å; L297-I301 HydrophobicContact CD1-CD1 4.34Å; L297-I301 HydrophobicContact CG-CD1 4.12Å; L297-I301 WeakPolarHBondContact O-CG1 3.39Å; L297-I301 PolarHBondContact O-N 3.46Å
298	F	97.9	Very high	96.4	Very high	19 Å²	19	35.3 Å²	35.3	8%	0.083	19%	0.185	C	C	.	.	H	α-helix	trans	-60.6	-47.1	177.5	180	-111.1	0	0	0	111.9	M218 N270 V273 E274 L294 Q295 I296 V300 I301 L302	M218-F298 HydrophobicContact CE-CD1 3.61Å; M218-F298 HydrophobicContact CE-CE1 3.55Å; N270-F298 WeakPolarHBondContact OD1-CE2 3.22Å; N270-F298 WeakPolarHBondContact OD1-CZ 3.38Å; V273-F298 HydrophobicContact CB-CD2 4.32Å; V273-F298 HydrophobicContact CB-CG 4.31Å; V273-F298 HydrophobicContact CG1-CB 3.81Å; V273-F298 HydrophobicContact CG1-CD1 3.85Å; V273-F298 HydrophobicContact CG1-CD2 4.19Å; V273-F298 HydrophobicContact CG1-CE1 4.46Å; V273-F298 HydrophobicContact CG1-CG 3.69Å; V273-F298 HydrophobicContact CG2-CD2 4.42Å; E274-F298 HydrophobicContact CG-CE1 4.25Å; E274-F298 HydrophobicContact CG-CZ 4.37Å; L294-F298 VanDerWaalsContact O-CB 3.23Å; L294-F298 WeakPolarHBondContact O-CB 3.35Å; L294-F298 PolarHBondContact O-N 3.49Å; Q295-F298 PolarHBondContact O-N 3.46Å; I296-F298 VanDerWaalsContact C-N 3.32Å; I296-F298 PolarHBondContact O-N 3.42Å; F298-V300 VanDerWaalsContact C-N 3.33Å; F298-V300 PolarHBondContact O-N 3.36Å; F298-I301 PolarHBondContact O-N 2.68Å; F298-L302 HydrophobicContact CD1-CD1 4.1Å; F298-L302 HydrophobicContact CE1-CD1 3.65Å; F298-L302 HydrophobicContact CE1-CG 4.43Å; F298-L302 HydrophobicContact CZ-CD1 3.93Å; F298-L302 HydrophobicContact CZ-CD2 4.44Å; F298-L302 HydrophobicContact CZ-CG 4.37Å; F298-L302 WeakPolarHBondContact O-CG 3.35Å; F298-L302 PolarHBondContact O-N 3.13Å
299	Q	97.9	Very high	96.1	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.028	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-37.3	176.2	-64	-52.3	-44.4	0	0	112.6	Q295 I296 L302 I303 N312 T315 I316	Q295-Q299 VanDerWaalsContact O-CG 3.29Å; Q295-Q299 WeakPolarHBondContact O-CG 3.06Å; Q295-Q299 PolarHBondContact O-N 3.49Å; I296-Q299 PolarHBondContact O-N 2.86Å; Q299-L302 PolarHBondContact O-N 2.93Å; Q299-I303 WeakPolarHBondContact O-CD1 3.36Å; Q299-I303 VanDerWaalsContact O-CG1 3.27Å; Q299-I303 WeakPolarHBondContact O-CG1 3.42Å; Q299-I303 PolarHBondContact O-N 2.53Å; Q299-N312 HydrophobicContact CB-CB 4.46Å; Q299-N312 PolarHBondContact OE1-OD1 2.96Å; Q299-T315 HydrophobicContact CG-CG2 3.98Å; Q299-I316 HydrophobicContact CB-CD1 3.89Å; Q299-I316 HydrophobicContact CB-CG1 3.54Å; Q299-I316 HydrophobicContact CG-CG1 3.99Å
300	V	97.6	Very high	96	Very high	57 Å²	57	31.1 Å²	31.1	35%	0.345	17%	0.167	S	C	.	.	H	α-helix	trans	-63.7	-43	175.3	168.6	0	0	0	0	111.2	I296 L297 F298 L302 I303 I304 I316	I296-V300 HydrophobicContact CG2-CG2 4.35Å; I296-V300 VanDerWaalsContact O-CG2 3.3Å; I296-V300 WeakPolarHBondContact O-CG2 3.45Å; I296-V300 PolarHBondContact O-N 3.4Å; L297-V300 PolarHBondContact O-N 3.01Å; F298-V300 VanDerWaalsContact C-N 3.33Å; F298-V300 PolarHBondContact O-N 3.36Å; V300-L302 VanDerWaalsContact C-N 3.31Å; V300-L302 PolarHBondContact O-N 3.27Å; V300-I303 PolarHBondContact O-N 3.4Å; V300-I304 HydrophobicContact CG1-CD1 3.85Å; V300-I304 VanDerWaalsContact O-CG1 3.32Å; V300-I304 WeakPolarHBondContact O-CG1 3.08Å; V300-I304 PolarHBondContact O-N 3.01Å; V300-I316 HydrophobicContact CG2-CD1 4.31Å
301	I	96.1	Very high	95.8	Very high	86 Å²	86	29 Å²	29	44%	0.441	16%	0.156	S	C	.	.	H	α-helix	trans	-59.7	-44.7	175.3	-68.2	165.1	0	0	0	110.2	L297 F298 I303 I304 S305	L297-I301 HydrophobicContact CD1-CD1 4.34Å; L297-I301 HydrophobicContact CG-CD1 4.12Å; L297-I301 WeakPolarHBondContact O-CG1 3.39Å; L297-I301 PolarHBondContact O-N 3.46Å; F298-I301 PolarHBondContact O-N 2.68Å; I301-I303 VanDerWaalsContact C-N 3.33Å; I301-I303 PolarHBondContact O-N 3.2Å; I301-I304 PolarHBondContact O-N 3.4Å; I301-S305 WeakPolarHBondContact O-CB 3.49Å; I301-S305 PolarHBondContact O-N 3.15Å; I301-S305 PolarHBondContact O-OG 2.97Å
302	L	95	Very high	95.7	Very high	33 Å²	33	29.1 Å²	29.1	17%	0.173	16%	0.157	C	C	.	.	H	α-helix	trans	-63	-36.1	177.2	-65.7	177.9	0	0	0	113.2	F298 Q299 V300 S305 G306 N312	F298-L302 HydrophobicContact CD1-CD1 4.1Å; F298-L302 HydrophobicContact CE1-CD1 3.65Å; F298-L302 HydrophobicContact CE1-CG 4.43Å; F298-L302 HydrophobicContact CZ-CD1 3.93Å; F298-L302 HydrophobicContact CZ-CD2 4.44Å; F298-L302 HydrophobicContact CZ-CG 4.37Å; F298-L302 WeakPolarHBondContact O-CG 3.35Å; F298-L302 PolarHBondContact O-N 3.13Å; Q299-L302 PolarHBondContact O-N 2.93Å; V300-L302 VanDerWaalsContact C-N 3.31Å; V300-L302 PolarHBondContact O-N 3.27Å; L302-S305 PolarHBondContact O-N 3.35Å; L302-S305 PolarHBondContact O-OG 3.19Å; L302-G306 PolarHBondContact O-N 3.05Å; L302-N312 WeakPolarHBondContact CB-ND2 3.37Å
303	I	95.8	Very high	95.7	Very high	23 Å²	23	33.3 Å²	33.3	12%	0.118	17%	0.172	C	C	.	.	H	α-helix	trans	-65.3	-41.6	174.2	-69.2	161.1	0	0	0	110.8	Q299 V300 I301 S305 G306 N312 W313 I316	Q299-I303 WeakPolarHBondContact O-CD1 3.36Å; Q299-I303 VanDerWaalsContact O-CG1 3.27Å; Q299-I303 WeakPolarHBondContact O-CG1 3.42Å; Q299-I303 PolarHBondContact O-N 2.53Å; V300-I303 PolarHBondContact O-N 3.4Å; I301-I303 VanDerWaalsContact C-N 3.33Å; I301-I303 PolarHBondContact O-N 3.2Å; I303-S305 VanDerWaalsContact C-N 3.31Å; I303-G306 VanDerWaalsContact O-O 3.13Å; I303-N312 HydrophobicContact CD1-CB 3.89Å; I303-N312 HydrophobicContact CG1-CB 3.47Å; I303-N312 VanDerWaalsContact CG1-CB 3.47Å; I303-W313 HydrophobicContact CD1-CD2 3.94Å; I303-W313 HydrophobicContact CD1-CG 4.01Å; I303-W313 HydrophobicContact CD1-CZ2 4.31Å; I303-W313 HydrophobicContact CG2-CZ2 4.12Å; I303-I316 HydrophobicContact CD1-CD1 4.12Å
304	I	94.9	Very high	95.7	Very high	87 Å²	87	30 Å²	30	45%	0.446	15%	0.152	S	C	.	.	H	α-helix	trans	-69	-33.9	179.1	-68	168.9	0	0	0	110.6	N249 I251 V300 I301	N249-I304 PolarHBondContact ND2-O 3.42Å; I251-I304 WeakPolarHBondContact CB-O 3.43Å; I251-I304 HydrophobicContact CD1-CG2 3.52Å; I251-I304 WeakPolarHBondContact CD1-O 3.32Å; I251-I304 HydrophobicContact CG2-CG2 4.33Å; V300-I304 HydrophobicContact CG1-CD1 3.85Å; V300-I304 VanDerWaalsContact O-CG1 3.32Å; V300-I304 WeakPolarHBondContact O-CG1 3.08Å; V300-I304 PolarHBondContact O-N 3.01Å; I301-I304 PolarHBondContact O-N 3.4Å
305	S	93.3	Very high	95.7	Very high	8 Å²	8	28.2 Å²	28.2	6%	0.056	14%	0.143	C	C	.	.	H	α-helix	trans	-91.9	-8.2	-172.6	74.8	0	0	0	0	115.3	Q245 A252 I301 L302 I303	Q245-S305 PolarHBondContact NE2-O 2.92Å; A252-S305 WeakPolarHBondContact CB-O 3.35Å; I301-S305 WeakPolarHBondContact O-CB 3.49Å; I301-S305 PolarHBondContact O-N 3.15Å; I301-S305 PolarHBondContact O-OG 2.97Å; L302-S305 PolarHBondContact O-N 3.35Å; L302-S305 PolarHBondContact O-OG 3.19Å; I303-S305 VanDerWaalsContact C-N 3.31Å
306	G	91.3	Very high	95.7	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.01	15%	0.15	C	C	.	.			trans	-170.5	163	-177.5	0	0	0	0	0	114.4	N249 L302 I303	N249-G306 PolarHBondContact ND2-N 2.9Å; L302-G306 PolarHBondContact O-N 3.05Å; I303-G306 VanDerWaalsContact O-O 3.13Å
307	N	92.4	Very high	95.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.14	C	C	.	.			trans	-98.1	95.2	174.4	-58.7	-68.4	0	0	0	110.4	V247 P248 N249 C455 I457 S458 W466	V247-N307 HydrophobicContact CB-CB 4.17Å; V247-N307 HydrophobicContact CG1-CB 4.21Å; V247-N307 VanDerWaalsContact O-CB 3.3Å; V247-N307 WeakPolarHBondContact O-CB 3.36Å; V247-N307 PolarHBondContact O-N 3.29Å; V247-N307 PolarHBondContact O-ND2 3.23Å; P248-N307 PolarHBondContact O-ND2 3.41Å; N249-N307 WeakPolarHBondContact CB-ND2 3.36Å; N307-C455 PolarHBondContact ND2-O 3.14Å; N307-I457 HydrophobicContact CB-CD1 4.31Å; N307-I457 HydrophobicContact CB-CG1 3.8Å; N307-I457 WeakPolarHBondContact OD1-CG1 3.27Å; N307-I457 PolarHBondContact OD1-N 3.26Å; N307-S458 PolarHBondContact OD1-N 2.9Å; N307-W466 WeakPolarHBondContact O-CZ2 2.85Å
308	L	90.4	Very high	95.7	Very high	10 Å²	10	23.1 Å²	23.1	5%	0.052	12%	0.116	C	C	.	.			trans	-103.8	43.7	176.5	-61.1	178.2	0	0	0	112.6	L311 F411 W466	L308-L311 WeakPolarHBondContact O-CB 3.22Å; L308-L311 PolarHBondContact O-N 3.15Å; L308-L311 VanDerWaalsContact O-N 3.14Å; L308-F411 HydrophobicContact CD1-CE2 4.03Å; L308-F411 HydrophobicContact CD2-CE2 3.87Å; L308-F411 HydrophobicContact CD2-CZ 3.6Å; L308-W466 HydrophobicContact CD2-CH2 3.87Å; L308-W466 HydrophobicContact CD2-CZ2 4.19Å
309	S	91.3	Very high	95.7	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.014	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	-145.3	-177	177.4	0	0	0	0	110.6	L311 S458 P459 H461	S309-L311 VanDerWaalsContact C-N 3.34Å; S309-S458 PolarHBondContact O-OG 2.94Å; S309-P459 CarbonylContact C-O 3.36Å; S309-H461 VanDerWaalsContact OG-CB 3.25Å; S309-H461 WeakPolarHBondContact OG-CB 3.31Å
310	F	95.4	Very high	95.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	7.6	169.9	56.2	-100	0	0	0	113.5	I63 V66 A67 W173 L177 N312 W313 L314 P459	I63-F310 HydrophobicContact CG2-CB 4.37Å; I63-F310 HydrophobicContact CG2-CD2 3.63Å; I63-F310 HydrophobicContact CG2-CE2 4.16Å; I63-F310 HydrophobicContact CG2-CG 4.16Å; V66-F310 HydrophobicContact CG1-CD1 4.34Å; A67-F310 HydrophobicContact CB-CE1 4Å; A67-F310 HydrophobicContact CB-CZ 3.96Å; W173-F310 HydrophobicContact CB-CE2 4.12Å; W173-F310 AromaticContact CD1-CE2 3.45Å; W173-F310 VanDerWaalsContact CD1-CE2 3.45Å; W173-F310 AromaticContact CD1-CZ 3.38Å; W173-F310 HydrophobicContact CG-CE2 4.06Å; W173-F310 HydrophobicContact CG-CZ 4.37Å; W173-F310 AromaticContact NE1-CZ 3.93Å; L177-F310 HydrophobicContact CD2-CE2 4.35Å; F310-N312 PolarHBondContact O-N 3.04Å; F310-W313 PolarHBondContact O-N 2.63Å; F310-L314 HydrophobicContact CD2-CD2 4.42Å; F310-L314 HydrophobicContact CE2-CD2 4.42Å; F310-L314 VanDerWaalsContact O-CB 3.29Å; F310-L314 WeakPolarHBondContact O-CB 3.43Å; F310-L314 PolarHBondContact O-N 3.02Å; F310-P459 HydrophobicContact CB-CB 4.09Å; F310-P459 PolarHBondContact N-O 3.2Å
311	L	95.3	Very high	95.7	Very high	29 Å²	29	20.1 Å²	20.1	15%	0.152	10%	0.099	C	C	.	.	H	α-helix	trans	-56.1	-53.7	-176.8	173.1	66.7	0	0	0	112.2	W173 Q176 L308 S309 W313 L314 T315	W173-L311 HydrophobicContact CB-CB 4.1Å; W173-L311 HydrophobicContact CB-CD1 3.75Å; W173-L311 HydrophobicContact CD2-CB 4.32Å; W173-L311 HydrophobicContact CE3-CB 3.94Å; W173-L311 HydrophobicContact CE3-CD1 4.31Å; W173-L311 HydrophobicContact CE3-CD2 4.11Å; W173-L311 HydrophobicContact CE3-CG 4.34Å; W173-L311 HydrophobicContact CG-CB 4.45Å; Q176-L311 VanDerWaalsContact OE1-CD1 3.27Å; L308-L311 WeakPolarHBondContact O-CB 3.22Å; L308-L311 PolarHBondContact O-N 3.15Å; L308-L311 VanDerWaalsContact O-N 3.14Å; S309-L311 VanDerWaalsContact C-N 3.34Å; L311-W313 VanDerWaalsContact C-N 3.3Å; L311-W313 PolarHBondContact O-N 2.82Å; L311-L314 WeakPolarHBondContact O-CB 3.47Å; L311-L314 PolarHBondContact O-N 3.2Å; L311-L314 VanDerWaalsContact O-N 3.14Å; L311-T315 PolarHBondContact O-N 3.48Å; L311-T315 PolarHBondContact O-OG1 3.14Å; L311-T315 VanDerWaalsContact O-OG1 3.1Å
312	N	96.3	Very high	95.7	Very high	4 Å²	4	16.2 Å²	16.2	2%	0.021	8%	0.08	C	C	.	.	H	α-helix	trans	-64.7	-38.6	-176.4	-63.6	-26.1	0	0	0	111.4	Q299 L302 I303 F310 L314 T315 I316	Q299-N312 HydrophobicContact CB-CB 4.46Å; Q299-N312 PolarHBondContact OE1-OD1 2.96Å; L302-N312 WeakPolarHBondContact CB-ND2 3.37Å; I303-N312 HydrophobicContact CD1-CB 3.89Å; I303-N312 HydrophobicContact CG1-CB 3.47Å; I303-N312 VanDerWaalsContact CG1-CB 3.47Å; F310-N312 PolarHBondContact O-N 3.04Å; N312-L314 VanDerWaalsContact C-N 3.33Å; N312-L314 PolarHBondContact O-N 3.04Å; N312-T315 PolarHBondContact O-N 3.06Å; N312-I316 WeakPolarHBondContact O-CG1 3.32Å; N312-I316 PolarHBondContact O-N 3.03Å; N312-I316 VanDerWaalsContact O-N 3.08Å
313	W	97.6	Very high	95.8	Very high	87 Å²	87	15.6 Å²	15.6	33%	0.33	8%	0.076	S	C	.	.	H	α-helix	trans	-62.8	-40.7	174.2	-63.1	84.9	0	0	0	111.8	F62 I63 I303 F310 L311 T315 I316 S458 P459	F62-W313 HydrophobicContact CE1-CE3 4.06Å; F62-W313 HydrophobicContact CE1-CZ3 4.39Å; I63-W313 HydrophobicContact CD1-CB 3.5Å; I63-W313 VanDerWaalsContact CD1-CB 3.5Å; I303-W313 HydrophobicContact CD1-CD2 3.94Å; I303-W313 HydrophobicContact CD1-CG 4.01Å; I303-W313 HydrophobicContact CD1-CZ2 4.31Å; I303-W313 HydrophobicContact CG2-CZ2 4.12Å; F310-W313 PolarHBondContact O-N 2.63Å; L311-W313 VanDerWaalsContact C-N 3.3Å; L311-W313 PolarHBondContact O-N 2.82Å; W313-T315 VanDerWaalsContact C-N 3.35Å; W313-I316 WeakPolarHBondContact O-CB 3.48Å; W313-I316 PolarHBondContact O-N 3.38Å; W313-S458 PolarHBondContact NE1-OG 3.37Å; W313-P459 HydrophobicContact CD2-CB 4.35Å; W313-P459 HydrophobicContact CG-CB 4.08Å
314	L	98	Very high	95.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-66.8	-35.6	175.8	179.9	58	0	0	0	112	I63 W173 Q176 L177 T180 F310 L311 N312 I316 V317 P318	I63-L314 HydrophobicContact CG1-CB 4.48Å; I63-L314 HydrophobicContact CG1-CD1 4.38Å; I63-L314 HydrophobicContact CG2-CB 4.32Å; I63-L314 HydrophobicContact CG2-CD1 4.16Å; W173-L314 HydrophobicContact CB-CD2 4.31Å; W173-L314 WeakPolarHBondContact O-CD2 3.32Å; Q176-L314 HydrophobicContact CB-CD2 3.72Å; Q176-L314 HydrophobicContact CG-CD2 3.67Å; Q176-L314 HydrophobicContact CG-CG 3.92Å; L177-L314 HydrophobicContact CB-CD2 3.88Å; L177-L314 HydrophobicContact CD1-CD1 3.87Å; T180-L314 HydrophobicContact CG2-CD1 4.1Å; F310-L314 HydrophobicContact CD2-CD2 4.42Å; F310-L314 HydrophobicContact CE2-CD2 4.42Å; F310-L314 VanDerWaalsContact O-CB 3.29Å; F310-L314 WeakPolarHBondContact O-CB 3.43Å; F310-L314 PolarHBondContact O-N 3.02Å; L311-L314 WeakPolarHBondContact O-CB 3.47Å; L311-L314 PolarHBondContact O-N 3.2Å; L311-L314 VanDerWaalsContact O-N 3.14Å; N312-L314 VanDerWaalsContact C-N 3.33Å; N312-L314 PolarHBondContact O-N 3.04Å; L314-I316 VanDerWaalsContact C-N 3.32Å; L314-I316 PolarHBondContact O-N 3.5Å; L314-V317 WeakPolarHBondContact O-CB 3.25Å; L314-V317 PolarHBondContact O-N 3.33Å; L314-P318 WeakPolarHBondContact O-CD 3.21Å
315	T	97.4	Very high	95.8	Very high	4 Å²	4	10.6 Å²	10.6	3%	0.025	5%	0.05	C	C	.	.	H	α-helix	trans	-71	-25.4	175.8	-58.6	0	0	0	0	112.9	Q176 I214 I217 M218 Q299 L311 N312 W313 V317 P318 S319	Q176-T315 PolarHBondContact NE2-OG1 3.18Å; I214-T315 HydrophobicContact CD1-CG2 3.58Å; I217-T315 HydrophobicContact CG2-CG2 3.89Å; M218-T315 HydrophobicContact SD-CG2 4.14Å; Q299-T315 HydrophobicContact CG-CG2 3.98Å; L311-T315 PolarHBondContact O-N 3.48Å; L311-T315 PolarHBondContact O-OG1 3.14Å; L311-T315 VanDerWaalsContact O-OG1 3.1Å; N312-T315 PolarHBondContact O-N 3.06Å; W313-T315 VanDerWaalsContact C-N 3.35Å; T315-V317 VanDerWaalsContact C-N 3.31Å; T315-V317 PolarHBondContact O-N 3.47Å; T315-P318 WeakPolarHBondContact O-CD 3.34Å; T315-P318 WeakPolarHBondContact O-CG 3.13Å; T315-S319 PolarHBondContact O-OG 3.22Å
316	I	98.5	Very high	95.8	Very high	28 Å²	28	12.1 Å²	12.1	14%	0.144	6%	0.063	C	C	.	.	H	α-helix	trans	-63.4	-37.9	169.4	-72.2	168.1	0	0	0	111.1	I296 Q299 V300 I303 N312 W313 L314 S319 L320	I296-I316 HydrophobicContact CG1-CG2 4.16Å; Q299-I316 HydrophobicContact CB-CD1 3.89Å; Q299-I316 HydrophobicContact CB-CG1 3.54Å; Q299-I316 HydrophobicContact CG-CG1 3.99Å; V300-I316 HydrophobicContact CG2-CD1 4.31Å; I303-I316 HydrophobicContact CD1-CD1 4.12Å; N312-I316 WeakPolarHBondContact O-CG1 3.32Å; N312-I316 PolarHBondContact O-N 3.03Å; N312-I316 VanDerWaalsContact O-N 3.08Å; W313-I316 WeakPolarHBondContact O-CB 3.48Å; W313-I316 PolarHBondContact O-N 3.38Å; L314-I316 VanDerWaalsContact C-N 3.32Å; L314-I316 PolarHBondContact O-N 3.5Å; I316-S319 WeakPolarHBondContact O-CA 3.48Å; I316-S319 VanDerWaalsContact O-CB 3.26Å; I316-S319 WeakPolarHBondContact O-CB 3.37Å; I316-S319 PolarHBondContact O-N 3Å; I316-L320 PolarHBondContact O-N 2.86Å
317	V	98.4	Very high	95.9	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.006	7%	0.073	C	C	.	.	H	α-helix	trans	-52.9	-57.9	-175.8	-176.9	0	0	0	0	113	L56 A59 L60 I63 T180 F210 L314 T315 S319 L320	L56-V317 HydrophobicContact CD2-CG1 4.07Å; L56-V317 WeakPolarHBondContact CD2-O 3.27Å; A59-V317 HydrophobicContact CB-CG2 4.02Å; L60-V317 HydrophobicContact CB-CG1 4.34Å; I63-V317 HydrophobicContact CG1-CG2 4.15Å; T180-V317 HydrophobicContact CG2-CB 4.4Å; T180-V317 HydrophobicContact CG2-CG1 3.95Å; F210-V317 HydrophobicContact CE1-CG1 4.47Å; L314-V317 WeakPolarHBondContact O-CB 3.25Å; L314-V317 PolarHBondContact O-N 3.33Å; T315-V317 VanDerWaalsContact C-N 3.31Å; T315-V317 PolarHBondContact O-N 3.47Å; V317-S319 PolarHBondContact O-N 2.9Å; V317-L320 VanDerWaalsContact O-CB 3.29Å; V317-L320 WeakPolarHBondContact O-CB 3.41Å; V317-L320 PolarHBondContact O-N 3.47Å; V317-L320 VanDerWaalsContact O-N 3.08Å
318	P	98.2	Very high	96	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-64.6	-25.7	179	26.8	-35.4	0	0	0	113.4	F210 L213 I214 I217 L314 T315 L320 A321	F210-P318 HydrophobicContact CB-CB 4.3Å; F210-P318 HydrophobicContact CD1-CB 3.98Å; F210-P318 WeakPolarHBondContact O-CB 3.28Å; L213-P318 HydrophobicContact CB-CB 4.43Å; L213-P318 HydrophobicContact CD2-CB 4.22Å; L213-P318 HydrophobicContact CD2-CG 4.4Å; L213-P318 HydrophobicContact CG-CB 4.32Å; L213-P318 HydrophobicContact CG-CG 4.44Å; I214-P318 HydrophobicContact CB-CB 3.97Å; I214-P318 HydrophobicContact CB-CG 4.05Å; I214-P318 HydrophobicContact CD1-CG 4.35Å; I217-P318 HydrophobicContact CD1-CG 4.34Å; L314-P318 WeakPolarHBondContact O-CD 3.21Å; T315-P318 WeakPolarHBondContact O-CD 3.34Å; T315-P318 WeakPolarHBondContact O-CG 3.13Å; P318-L320 PolarHBondContact O-N 2.9Å; P318-A321 WeakPolarHBondContact O-CB 3.19Å; P318-A321 PolarHBondContact O-N 3.43Å
319	S	98.1	Very high	96	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.6	-28.6	174.5	-57.7	0	0	0	0	112.3	I214 Q295 T315 I316 V317 A321 C322	I214-S319 WeakPolarHBondContact CD1-OG 3.4Å; I214-S319 WeakPolarHBondContact CG1-OG 3.31Å; Q295-S319 WeakPolarHBondContact CB-OG 3.15Å; T315-S319 PolarHBondContact O-OG 3.22Å; I316-S319 WeakPolarHBondContact O-CA 3.48Å; I316-S319 VanDerWaalsContact O-CB 3.26Å; I316-S319 WeakPolarHBondContact O-CB 3.37Å; I316-S319 PolarHBondContact O-N 3Å; V317-S319 PolarHBondContact O-N 2.9Å; S319-A321 PolarHBondContact O-N 2.81Å; S319-C322 VanDerWaalsContact O-CB 3.22Å; S319-C322 WeakPolarHBondContact O-CB 3.48Å; S319-C322 PolarHBondContact O-N 2.79Å; S319-C322 VanDerWaalsContact O-N 3.1Å; S319-C322 PolarHBondContact O-SG 3.24Å
320	L	97.9	Very high	96	Very high	19 Å²	19	21 Å²	21	10%	0.099	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-63.3	-24.8	176.7	-60.7	169.7	0	0	0	112.9	T52 V55 L56 A59 I296 I316 V317 P318 C322 F323	T52-L320 VanDerWaalsContact CG2-O 3.29Å; T52-L320 WeakPolarHBondContact CG2-O 3.19Å; V55-L320 HydrophobicContact CG1-CD1 3.92Å; V55-L320 HydrophobicContact CG1-CD2 4.35Å; L56-L320 HydrophobicContact CD2-CB 3.76Å; L56-L320 HydrophobicContact CD2-CD1 4.42Å; L56-L320 HydrophobicContact CG-CB 4.14Å; A59-L320 HydrophobicContact CB-CD1 3.83Å; I296-L320 HydrophobicContact CD1-CD2 4Å; I316-L320 PolarHBondContact O-N 2.86Å; V317-L320 VanDerWaalsContact O-CB 3.29Å; V317-L320 WeakPolarHBondContact O-CB 3.41Å; V317-L320 PolarHBondContact O-N 3.47Å; V317-L320 VanDerWaalsContact O-N 3.08Å; P318-L320 PolarHBondContact O-N 2.9Å; L320-C322 PolarHBondContact O-N 3.28Å; L320-C322 VanDerWaalsContact O-N 3.08Å; L320-F323 PolarHBondContact O-N 3.44Å
321	A	97.6	Very high	95.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-67	-6.8	175.9	0	0	0	0	0	113.6	L56 L207 F210 R211 P318 S319	L56-A321 HydrophobicContact CD1-CB 4.35Å; L207-A321 HydrophobicContact CD2-CB 4.09Å; F210-A321 HydrophobicContact CB-CB 3.53Å; F210-A321 HydrophobicContact CG-CB 4.34Å; R211-A321 HydrophobicContact CG-CB 4.36Å; R211-A321 PolarHBondContact NE-O 3.29Å; R211-A321 PolarHBondContact NH2-O 3.47Å; P318-A321 WeakPolarHBondContact O-CB 3.19Å; P318-A321 PolarHBondContact O-N 3.43Å; S319-A321 PolarHBondContact O-N 2.81Å
322	C	97.3	Very high	95.5	Very high	5 Å²	5	25 Å²	25	3%	0.034	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-79.4	-20.5	174.9	-61.2	0	0	0	0	113.5	R288 H291 S319 L320	R288-C322 VanDerWaalsContact O-CB 3.29Å; R288-C322 WeakPolarHBondContact O-CB 3.49Å; H291-C322 PolarHBondContact ND1-SG 2.88Å; H291-C322 VanDerWaalsContact ND1-SG 3.41Å; S319-C322 VanDerWaalsContact O-CB 3.22Å; S319-C322 WeakPolarHBondContact O-CB 3.48Å; S319-C322 PolarHBondContact O-N 2.79Å; S319-C322 VanDerWaalsContact O-N 3.1Å; S319-C322 PolarHBondContact O-SG 3.24Å; L320-C322 PolarHBondContact O-N 3.28Å; L320-C322 VanDerWaalsContact O-N 3.08Å
323	F	97.4	Very high	95	Very high	20 Å²	20	29.4 Å²	29.4	9%	0.088	16%	0.157	C	C	.	.			trans	-99.6	130.3	-175	-55.1	-89.7	0	0	0	110.7	F49 T52 I289 G292 V293 I296 L320 A327 L328	F49-F323 WeakPolarHBondContact CD1-O 3.34Å; F49-F323 WeakPolarHBondContact CE1-O 3.38Å; T52-F323 VanDerWaalsContact CG2-O 3.22Å; T52-F323 WeakPolarHBondContact CG2-O 3.45Å; T52-F323 PolarHBondContact OG1-O 2.85Å; I289-F323 HydrophobicContact CG2-CD1 4.13Å; I289-F323 HydrophobicContact CG2-CE1 3.98Å; G292-F323 VanDerWaalsContact C-CZ 3.48Å; V293-F323 HydrophobicContact CG2-CE1 3.73Å; V293-F323 HydrophobicContact CG2-CZ 3.88Å; I296-F323 HydrophobicContact CD1-CE2 3.62Å; I296-F323 HydrophobicContact CD1-CZ 3.98Å; L320-F323 PolarHBondContact O-N 3.44Å; F323-A327 HydrophobicContact CB-CB 4.09Å; F323-A327 HydrophobicContact CD1-CB 4.12Å; F323-L328 HydrophobicContact CB-CD1 3.98Å; F323-L328 HydrophobicContact CB-CD2 3.74Å; F323-L328 HydrophobicContact CB-CG 3.62Å; F323-L328 HydrophobicContact CD1-CD2 4.5Å; F323-L328 HydrophobicContact CG-CD2 4.05Å; F323-L328 HydrophobicContact CG-CG 4.47Å
324	D	95.4	Very high	94	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.027	17%	0.173	C	C	.	.			trans	-88.6	174.2	172.5	62.1	4.6	0	0	0	111.6	T46 G47 T48 F49 R285 A326 A327 L328	T46-D324 VanDerWaalsContact CA-OD2 3.31Å; T46-D324 WeakPolarHBondContact CA-OD2 3.41Å; T46-D324 WeakPolarHBondContact CB-OD2 3.48Å; G47-D324 PolarHBondContact N-OD2 2.91Å; T48-D324 WeakPolarHBondContact O-CA 3.44Å; T48-D324 WeakPolarHBondContact O-CB 3.26Å; F49-D324 HydrophobicContact CD1-CB 4.33Å; F49-D324 HydrophobicContact CE1-CB 3.85Å; F49-D324 HydrophobicContact CZ-CB 4.09Å; R285-D324 IonicContact CZ-OD1 3.72Å; R285-D324 IonicContact CZ-OD2 3.36Å; R285-D324 IonicContact NE-OD1 3.8Å; R285-D324 IonicContact NE-OD2 2.74Å; R285-D324 PolarHBondContact NE-OD2 3.3Å; R285-D324 IonicContact NH2-OD1 2.81Å; R285-D324 PolarHBondContact NH2-OD1 3.29Å; R285-D324 IonicContact NH2-OD2 3.13Å; R285-D324 PolarHBondContact NH2-OD2 3.43Å; R285-D324 VanDerWaalsContact NH2-OD2 3.13Å; D324-A326 PolarHBondContact O-N 3.07Å; D324-A327 PolarHBondContact O-N 2.82Å; D324-A327 WeakPolarHBondContact OD1-CB 3.48Å; D324-A327 PolarHBondContact OD1-N 3.44Å; D324-L328 PolarHBondContact O-N 2.8Å
325	D	94.4	Very high	93	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-56.9	-36.6	-178.6	-66.2	-28.9	0	0	0	112	L44 T48 F49 W50 L51 A327 L328 G329	L44-D325 HydrophobicContact CB-CB 4.41Å; L44-D325 HydrophobicContact CD1-CB 4.26Å; L44-D325 WeakPolarHBondContact CD1-O 3.35Å; T48-D325 VanDerWaalsContact C-CG 3.48Å; T48-D325 VanDerWaalsContact CB-OD2 3.25Å; T48-D325 WeakPolarHBondContact CB-OD2 3.46Å; T48-D325 VanDerWaalsContact O-CG 3.25Å; T48-D325 PolarHBondContact O-N 3.48Å; T48-D325 PolarHBondContact OG1-OD2 3.33Å; F49-D325 VanDerWaalsContact C-OD1 3.3Å; F49-D325 WeakPolarHBondContact CA-OD1 3.43Å; F49-D325 PolarHBondContact N-OD2 2.99Å; F49-D325 VanDerWaalsContact N-OD2 3.13Å; W50-D325 VanDerWaalsContact N-CG 3.3Å; W50-D325 PolarHBondContact N-OD1 3.08Å; W50-D325 PolarHBondContact N-OD2 3.38Å; L51-D325 WeakPolarHBondContact CB-OD1 3.46Å; L51-D325 HydrophobicContact CD1-CB 4.37Å; L51-D325 PolarHBondContact N-OD1 2.67Å; D325-A327 VanDerWaalsContact C-N 3.34Å; D325-A327 PolarHBondContact O-N 2.87Å; D325-L328 PolarHBondContact O-N 2.63Å; D325-G329 WeakPolarHBondContact O-CA 3.29Å; D325-G329 PolarHBondContact O-N 2.64Å
326	A	93.5	Very high	91.5	Very high	40 Å²	40	36.6 Å²	36.6	33%	0.331	22%	0.222	S	C	.	.	H	α-helix	trans	-62.1	-39.1	175.1	0	0	0	0	0	112.7	L44 T46 D324	L44-A326 HydrophobicContact CB-CB 4.46Å; T46-A326 HydrophobicContact CG2-CB 4.13Å; D324-A326 PolarHBondContact O-N 3.07Å
327	A	94	Very high	90.4	Very high	25 Å²	25	43.6 Å²	43.6	21%	0.207	25%	0.254	C	S	.	.	H	α-helix	trans	-74.4	-35.5	178	0	0	0	0	0	113.1	I289 F323 D324 D325 F330	I289-A327 HydrophobicContact CD1-CB 4.2Å; F323-A327 HydrophobicContact CB-CB 4.09Å; F323-A327 HydrophobicContact CD1-CB 4.12Å; D324-A327 PolarHBondContact O-N 2.82Å; D324-A327 WeakPolarHBondContact OD1-CB 3.48Å; D324-A327 PolarHBondContact OD1-N 3.44Å; D325-A327 VanDerWaalsContact C-N 3.34Å; D325-A327 PolarHBondContact O-N 2.87Å; A327-F330 VanDerWaalsContact O-CD1 3.24Å; A327-F330 WeakPolarHBondContact O-CD1 3.34Å; A327-F330 WeakPolarHBondContact O-CE1 3.28Å
328	L	93.6	Very high	89.8	Confident	11 Å²	11	44.1 Å²	44.1	6%	0.058	26%	0.259	C	S	.	.	H	α-helix	trans	-92.7	-5.6	-179.3	-63.2	-179.3	0	0	0	114.2	T52 V55 F323 D324 D325 F330 L331	T52-L328 HydrophobicContact CG2-CD1 4.12Å; V55-L328 HydrophobicContact CG2-CD1 4.24Å; F323-L328 HydrophobicContact CB-CD1 3.98Å; F323-L328 HydrophobicContact CB-CD2 3.74Å; F323-L328 HydrophobicContact CB-CG 3.62Å; F323-L328 HydrophobicContact CD1-CD2 4.5Å; F323-L328 HydrophobicContact CG-CD2 4.05Å; F323-L328 HydrophobicContact CG-CG 4.47Å; D324-L328 PolarHBondContact O-N 2.8Å; D325-L328 PolarHBondContact O-N 2.63Å; L328-F330 PolarHBondContact O-N 2.68Å; L328-L331 HydrophobicContact CD2-CD1 4.01Å; L328-L331 WeakPolarHBondContact O-CB 3.39Å; L328-L331 PolarHBondContact O-N 2.85Å
329	G	90.2	Very high	89.4	Confident	4 Å²	4	45 Å²	45	4%	0.041	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-11.1	-175.1	0	0	0	0	0	115.5	D325 K340	D325-G329 WeakPolarHBondContact O-CA 3.29Å; D325-G329 PolarHBondContact O-N 2.64Å; G329-K340 WeakPolarHBondContact O-CD 3.46Å; G329-K340 WeakPolarHBondContact O-CE 3.47Å; G329-K340 PolarHBondContact O-NZ 3.41Å
330	F	91.3	Very high	89	Confident	158 Å²	158	47.3 Å²	47.3	69%	0.693	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-23.5	173.9	75.9	-88.4	0	0	0	113.1	A327 L328 F332	A327-F330 VanDerWaalsContact O-CD1 3.24Å; A327-F330 WeakPolarHBondContact O-CD1 3.34Å; A327-F330 WeakPolarHBondContact O-CE1 3.28Å; L328-F330 PolarHBondContact O-N 2.68Å; F330-F332 PolarHBondContact O-N 2.8Å
331	L	90.9	Very high	88.6	Confident	93 Å²	93	50.8 Å²	50.8	49%	0.487	29%	0.289	S	S	.	.	S	Bend	trans	-74.4	-13	179.5	-65.7	174.3	0	0	0	113.2	L328	L328-L331 HydrophobicContact CD2-CD1 4.01Å; L328-L331 WeakPolarHBondContact O-CB 3.39Å; L328-L331 PolarHBondContact O-N 2.85Å
332	F	90.3	Very high	88.3	Confident	20 Å²	20	54.1 Å²	54.1	9%	0.088	30%	0.304	C	S	.	.	S	Bend	trans	-113.6	126.3	-174.3	-64.3	-89.9	0	0	0	110.3	L51 V55 F330 L339 K340	L51-F332 HydrophobicContact CB-CD2 4.21Å; L51-F332 HydrophobicContact CB-CE2 3.69Å; L51-F332 HydrophobicContact CB-CZ 4.09Å; L51-F332 HydrophobicContact CD1-CD2 3.8Å; L51-F332 HydrophobicContact CD1-CE2 4.16Å; L51-F332 HydrophobicContact CD1-CG 4.36Å; L51-F332 HydrophobicContact CD2-CD1 4.13Å; L51-F332 HydrophobicContact CD2-CD2 3.99Å; L51-F332 HydrophobicContact CD2-CE1 4.15Å; L51-F332 HydrophobicContact CD2-CE2 4.04Å; L51-F332 HydrophobicContact CD2-CG 4.03Å; L51-F332 HydrophobicContact CD2-CZ 4.1Å; L51-F332 HydrophobicContact CG-CD2 4.22Å; L51-F332 HydrophobicContact CG-CE2 4.17Å; V55-F332 HydrophobicContact CG2-CE2 4.04Å; V55-F332 HydrophobicContact CG2-CZ 3.79Å; F330-F332 PolarHBondContact O-N 2.8Å; F332-L339 HydrophobicContact CD1-CB 4.08Å; F332-L339 HydrophobicContact CD1-CD1 3.91Å; F332-L339 HydrophobicContact CE1-CD1 3.87Å; F332-K340 HydrophobicContact CB-CB 4.07Å
333	P	84.4	Confident	88	Confident	98 Å²	98	53.9 Å²	53.9	64%	0.636	30%	0.303	S	S	*	.			trans	-65.4	145.5	-178.9	24	-31.3	0	0	0	111.8	G335	P333-G335 PolarHBondContact O-N 3.46Å
334	S	77.9	Confident	87.7	Confident	95 Å²	95	54 Å²	54	66%	0.664	30%	0.304	S	S	*	.			trans	-82	17.9	179.9	-55.5	0	0	0	0	113.9
335	G	76	Confident	87.5	Confident	29 Å²	29	57.6 Å²	57.6	30%	0.299	32%	0.32	S	S	.	.			trans	-63.3	166.5	-175.4	0	0	0	0	0	113.9	P333 Q337 G338	P333-G335 PolarHBondContact O-N 3.46Å; G335-Q337 PolarHBondContact O-N 3.46Å; G335-Q337 VanDerWaalsContact O-N 3.1Å; G335-G338 PolarHBondContact O-N 3.19Å
336	P	66.9	Low	87.2	Confident	117 Å²	117	58 Å²	58	76%	0.76	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.5	-174.1	-24.6	33.1	0	0	0	114.6
337	Q	74.8	Confident	87.1	Confident	176 Å²	176	56.4 Å²	56.4	82%	0.822	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	13.7	175.3	-62.8	-177.2	-1	0	0	113	G335 Q342	G335-Q337 PolarHBondContact O-N 3.46Å; G335-Q337 VanDerWaalsContact O-N 3.1Å; Q337-Q342 PolarHBondContact O-NE2 3.16Å
338	G	85.3	Confident	86.8	Confident	11 Å²	11	61.7 Å²	61.7	11%	0.113	32%	0.323	C	S	.	.			trans	-67	141.2	-175.7	0	0	0	0	0	112.9	G335 K340 K341 Q342	G335-G338 PolarHBondContact O-N 3.19Å; G338-K340 PolarHBondContact O-N 2.99Å; G338-K341 PolarHBondContact O-N 2.83Å; G338-Q342 PolarHBondContact O-N 3.39Å
339	L	89.6	Confident	86.4	Confident	20 Å²	20	64.5 Å²	64.5	11%	0.105	34%	0.336	C	S	.	.	H	α-helix	trans	-55.8	-35.1	178.5	-70.3	168.2	0	0	0	112.4	L51 I54 R195 L196 F332 K341 Q342 V343	L51-L339 HydrophobicContact CD2-CB 4.18Å; I54-L339 HydrophobicContact CD1-CD1 4.01Å; I54-L339 HydrophobicContact CD1-CD2 4.35Å; R195-L339 HydrophobicContact CB-CD2 4.23Å; L196-L339 HydrophobicContact CD1-CD2 3.71Å; L196-L339 HydrophobicContact CG-CD2 4.09Å; F332-L339 HydrophobicContact CD1-CB 4.08Å; F332-L339 HydrophobicContact CD1-CD1 3.91Å; F332-L339 HydrophobicContact CE1-CD1 3.87Å; L339-K341 VanDerWaalsContact C-N 3.34Å; L339-K341 PolarHBondContact O-N 2.87Å; L339-Q342 PolarHBondContact O-N 2.85Å; L339-V343 WeakPolarHBondContact O-CG2 3.36Å; L339-V343 PolarHBondContact O-N 3.46Å
340	K	90.8	Very high	86.1	Confident	47 Å²	47	68.3 Å²	68.3	20%	0.204	36%	0.355	C	S	.	.	H	α-helix	trans	-58	-44.6	176	-177.7	175.5	-173.4	169.2	0	112.4	L44 G329 F332 G338 V343 L344	L44-K340 HydrophobicContact CD1-CG 4.16Å; G329-K340 WeakPolarHBondContact O-CD 3.46Å; G329-K340 WeakPolarHBondContact O-CE 3.47Å; G329-K340 PolarHBondContact O-NZ 3.41Å; F332-K340 HydrophobicContact CB-CB 4.07Å; G338-K340 PolarHBondContact O-N 2.99Å; K340-V343 PolarHBondContact O-N 3.22Å; K340-L344 HydrophobicContact CG-CD1 4.49Å; K340-L344 WeakPolarHBondContact O-CG 3.32Å; K340-L344 PolarHBondContact O-N 3.29Å
341	K	89.3	Confident	85.5	Confident	93 Å²	93	65.3 Å²	65.3	40%	0.404	35%	0.35	S	S	.	.	H	α-helix	trans	-68.3	-41.8	179.2	-170.3	-176.2	173.9	-170.8	0	111.2	G338 L339 V343 L344 E345	G338-K341 PolarHBondContact O-N 2.83Å; L339-K341 VanDerWaalsContact C-N 3.34Å; L339-K341 PolarHBondContact O-N 2.87Å; K341-V343 VanDerWaalsContact C-N 3.31Å; K341-V343 PolarHBondContact O-N 3.23Å; K341-L344 WeakPolarHBondContact O-CB 3.5Å; K341-L344 PolarHBondContact O-N 3.43Å; K341-L344 VanDerWaalsContact O-N 3.14Å; K341-E345 VanDerWaalsContact CE-OE1 3.31Å; K341-E345 WeakPolarHBondContact CE-OE1 3.44Å; K341-E345 WeakPolarHBondContact O-CG 3.23Å; K341-E345 PolarHBondContact O-N 3.33Å
342	Q	90.6	Very high	85	Confident	70 Å²	70	68.2 Å²	68.2	33%	0.327	36%	0.361	S	S	.	.	H	α-helix	trans	-60.9	-39.4	175.7	-63.6	179.2	27.4	0	0	112.1	L196 Q337 G338 L339 E345 I346	L196-Q342 HydrophobicContact CD1-CB 3.79Å; Q337-Q342 PolarHBondContact O-NE2 3.16Å; G338-Q342 PolarHBondContact O-N 3.39Å; L339-Q342 PolarHBondContact O-N 2.85Å; Q342-E345 PolarHBondContact O-N 3.27Å; Q342-I346 VanDerWaalsContact O-CG1 3.27Å; Q342-I346 WeakPolarHBondContact O-CG1 3.4Å; Q342-I346 PolarHBondContact O-N 3.3Å
343	V	91.9	Very high	84	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-67.7	-40.1	174.6	176.2	0	0	0	0	111.3	L44 W50 L51 L196 L339 K340 K341 E345 I346 Q347	L44-V343 HydrophobicContact CD2-CB 4.02Å; L44-V343 HydrophobicContact CD2-CG1 3.62Å; W50-V343 HydrophobicContact CB-CG1 4.02Å; W50-V343 HydrophobicContact CB-CG2 3.73Å; W50-V343 HydrophobicContact CG-CG1 4.22Å; W50-V343 HydrophobicContact CG-CG2 4.39Å; L51-V343 HydrophobicContact CD2-CG2 3.85Å; L51-V343 HydrophobicContact CG-CG2 4.14Å; L196-V343 HydrophobicContact CD1-CG2 3.84Å; L196-V343 HydrophobicContact CD2-CG2 3.81Å; L339-V343 WeakPolarHBondContact O-CG2 3.36Å; L339-V343 PolarHBondContact O-N 3.46Å; K340-V343 PolarHBondContact O-N 3.22Å; K341-V343 VanDerWaalsContact C-N 3.31Å; K341-V343 PolarHBondContact O-N 3.23Å; V343-E345 VanDerWaalsContact C-N 3.31Å; V343-E345 PolarHBondContact O-N 3.37Å; V343-I346 PolarHBondContact O-N 2.75Å; V343-Q347 HydrophobicContact CG1-CG 4.32Å; V343-Q347 WeakPolarHBondContact O-CB 3.32Å; V343-Q347 VanDerWaalsContact O-CG 3.27Å; V343-Q347 WeakPolarHBondContact O-CG 3.47Å; V343-Q347 PolarHBondContact O-N 3.31Å
344	L	91.5	Very high	82.7	Confident	22 Å²	22	74.5 Å²	74.5	12%	0.115	39%	0.387	C	S	.	.	H	α-helix	trans	-59.8	-41	173.2	-74.5	167.2	0	0	0	111.9	A42 L44 K340 K341 Q347 R348	A42-L344 HydrophobicContact CB-CD1 3.97Å; A42-L344 HydrophobicContact CB-CD2 4.22Å; L44-L344 HydrophobicContact CD2-CD2 3.75Å; L44-L344 HydrophobicContact CD2-CG 3.72Å; L44-L344 HydrophobicContact CG-CD2 4.01Å; L44-L344 HydrophobicContact CG-CG 4.26Å; K340-L344 HydrophobicContact CG-CD1 4.49Å; K340-L344 WeakPolarHBondContact O-CG 3.32Å; K340-L344 PolarHBondContact O-N 3.29Å; K341-L344 WeakPolarHBondContact O-CB 3.5Å; K341-L344 PolarHBondContact O-N 3.43Å; K341-L344 VanDerWaalsContact O-N 3.14Å; L344-Q347 PolarHBondContact O-N 2.95Å; L344-R348 WeakPolarHBondContact O-CB 3.37Å; L344-R348 VanDerWaalsContact O-CG 3.26Å; L344-R348 WeakPolarHBondContact O-CG 3.25Å; L344-R348 PolarHBondContact O-N 2.5Å
345	E	90.1	Very high	81.5	Confident	80 Å²	80	77.6 Å²	77.6	37%	0.374	39%	0.391	S	S	.	.	H	α-helix	trans	-63.3	-46.9	175.6	-72.9	166.6	-170.9	0	0	111.4	K341 Q342 V343 Q347 R348 E349	K341-E345 VanDerWaalsContact CE-OE1 3.31Å; K341-E345 WeakPolarHBondContact CE-OE1 3.44Å; K341-E345 WeakPolarHBondContact O-CG 3.23Å; K341-E345 PolarHBondContact O-N 3.33Å; Q342-E345 PolarHBondContact O-N 3.27Å; V343-E345 VanDerWaalsContact C-N 3.31Å; V343-E345 PolarHBondContact O-N 3.37Å; E345-Q347 VanDerWaalsContact C-N 3.32Å; E345-Q347 PolarHBondContact O-N 3Å; E345-R348 PolarHBondContact O-N 3.11Å; E345-E349 WeakPolarHBondContact O-CG 3.13Å; E345-E349 PolarHBondContact O-N 3.42Å
346	I	88.4	Confident	80.8	Confident	8 Å²	8	81.9 Å²	81.9	4%	0.041	41%	0.414	C	S	.	.	H	α-helix	trans	-57.4	-45.9	175	-67.9	163.8	0	0	0	110.9	W50 K198 Q342 V343 E349 D350	W50-I346 HydrophobicContact CZ2-CG2 4.15Å; K198-I346 HydrophobicContact CD-CG1 4.36Å; K198-I346 HydrophobicContact CG-CD1 4.02Å; K198-I346 HydrophobicContact CG-CG1 4.2Å; Q342-I346 VanDerWaalsContact O-CG1 3.27Å; Q342-I346 WeakPolarHBondContact O-CG1 3.4Å; Q342-I346 PolarHBondContact O-N 3.3Å; V343-I346 PolarHBondContact O-N 2.75Å; I346-E349 PolarHBondContact O-N 3.41Å; I346-D350 PolarHBondContact O-N 2.91Å
347	Q	90.4	Very high	80.6	Confident	8 Å²	8	82.4 Å²	82.4	4%	0.037	40%	0.404	C	S	.	.	H	α-helix	trans	-66.8	-37.4	179.6	-71.6	173.4	-11.2	0	0	112.7	H45 T48 V343 L344 E345 D350 T351	H45-Q347 PolarHBondContact CD2-OE1 3.39Å; T48-Q347 PolarHBondContact OG1-NE2 2.86Å; V343-Q347 HydrophobicContact CG1-CG 4.32Å; V343-Q347 WeakPolarHBondContact O-CB 3.32Å; V343-Q347 VanDerWaalsContact O-CG 3.27Å; V343-Q347 WeakPolarHBondContact O-CG 3.47Å; V343-Q347 PolarHBondContact O-N 3.31Å; L344-Q347 PolarHBondContact O-N 2.95Å; E345-Q347 VanDerWaalsContact C-N 3.32Å; E345-Q347 PolarHBondContact O-N 3Å; Q347-D350 PolarHBondContact O-N 3.24Å; Q347-T351 WeakPolarHBondContact O-CB 3.48Å; Q347-T351 PolarHBondContact O-N 3.34Å; Q347-T351 PolarHBondContact O-OG1 2.82Å
348	R	88.5	Confident	79.9	Confident	135 Å²	135	79.6 Å²	79.6	51%	0.509	40%	0.401	S	S	.	.	H	α-helix	trans	-65.9	-46.3	174.7	-77.7	173.4	177.7	-171.4	-3.8	111.3	A42 L344 E345 D350 T351 Q352	A42-R348 VanDerWaalsContact CB-NH2 3.33Å; L344-R348 WeakPolarHBondContact O-CB 3.37Å; L344-R348 VanDerWaalsContact O-CG 3.26Å; L344-R348 WeakPolarHBondContact O-CG 3.25Å; L344-R348 PolarHBondContact O-N 2.5Å; E345-R348 PolarHBondContact O-N 3.11Å; R348-D350 VanDerWaalsContact C-N 3.27Å; R348-D350 PolarHBondContact O-N 3.41Å; R348-T351 PolarHBondContact O-N 3.37Å; R348-Q352 WeakPolarHBondContact O-CB 3.3Å; R348-Q352 WeakPolarHBondContact O-CG 3.4Å; R348-Q352 PolarHBondContact O-N 3.24Å
349	E	86.2	Confident	79	Confident	71 Å²	71	86.9 Å²	86.9	33%	0.332	43%	0.425	S	S	.	.	H	α-helix	trans	-56.1	-43.1	174.5	-74.6	178.7	-149.9	0	0	111.1	K198 E345 I346 R353	K198-E349 IonicContact NZ-OE1 2.82Å; K198-E349 PolarHBondContact NZ-OE1 3.03Å; E345-E349 WeakPolarHBondContact O-CG 3.13Å; E345-E349 PolarHBondContact O-N 3.42Å; I346-E349 PolarHBondContact O-N 3.41Å; E349-R353 VanDerWaalsContact O-CG 3.25Å; E349-R353 WeakPolarHBondContact O-CG 3.28Å; E349-R353 PolarHBondContact O-N 3.07Å; E349-R353 IonicContact OE2-NH2 3.23Å; E349-R353 PolarHBondContact OE2-NH2 3.15Å
350	D	82	Confident	78.3	Confident	84 Å²	84	91.2 Å²	91.2	45%	0.449	45%	0.448	S	S	.	.	H	α-helix	trans	-70.1	-33.4	179.3	-75.8	-17.5	0	0	0	112.9	I346 Q347 R348 R353	I346-D350 PolarHBondContact O-N 2.91Å; Q347-D350 PolarHBondContact O-N 3.24Å; R348-D350 VanDerWaalsContact C-N 3.27Å; R348-D350 PolarHBondContact O-N 3.41Å; D350-R353 IonicContact OD1-CZ 3.95Å; D350-R353 IonicContact OD1-NH1 3.13Å; D350-R353 PolarHBondContact OD1-NH1 2.68Å
351	T	80.6	Confident	77.8	Confident	94 Å²	94	99 Å²	99	58%	0.577	48%	0.476	S	S	*	.	H	α-helix	trans	-76.2	-34.6	178.4	-53.8	0	0	0	0	112.3	Q347 R348 R353	Q347-T351 WeakPolarHBondContact O-CB 3.48Å; Q347-T351 PolarHBondContact O-N 3.34Å; Q347-T351 PolarHBondContact O-OG1 2.82Å; R348-T351 PolarHBondContact O-N 3.37Å; T351-R353 VanDerWaalsContact C-N 3.29Å; T351-R353 PolarHBondContact O-N 2.62Å
352	Q	78.9	Confident	77.5	Confident	155 Å²	155	96.6 Å²	96.6	72%	0.724	48%	0.478	S	S	*	.	H	α-helix	trans	-78.9	-11.2	179.2	-71.4	177.8	-12	0	0	113.2	R348 V354	R348-Q352 WeakPolarHBondContact O-CB 3.3Å; R348-Q352 WeakPolarHBondContact O-CG 3.4Å; R348-Q352 PolarHBondContact O-N 3.24Å; Q352-V354 PolarHBondContact O-N 2.68Å
353	R	70.4	Confident	77	Confident	105 Å²	105	96 Å²	96	40%	0.396	48%	0.481	S	S	.	.			trans	-76.2	112.4	176.6	-82.6	172.1	-172.6	146	11.8	110.9	E349 D350 T351	E349-R353 VanDerWaalsContact O-CG 3.25Å; E349-R353 WeakPolarHBondContact O-CG 3.28Å; E349-R353 PolarHBondContact O-N 3.07Å; E349-R353 IonicContact OE2-NH2 3.23Å; E349-R353 PolarHBondContact OE2-NH2 3.15Å; D350-R353 IonicContact OD1-CZ 3.95Å; D350-R353 IonicContact OD1-NH1 3.13Å; D350-R353 PolarHBondContact OD1-NH1 2.68Å; T351-R353 VanDerWaalsContact C-N 3.29Å; T351-R353 PolarHBondContact O-N 2.62Å
354	V	55.7	Low	76.7	Confident	144 Å²	144	99.8 Å²	99.8	87%	0.873	50%	0.501	S	S	*	.	S	Bend	trans	-77	-24.1	176	-178.4	0	0	0	0	112.4	Q352	Q352-V354 PolarHBondContact O-N 2.68Å
355	Q	54.6	Low	76.6	Confident	160 Å²	160	103.2 Å²	103.2	75%	0.748	52%	0.523	S	S	*	.	S	Bend	trans	-120.2	139.3	175.8	-67.7	-160	8.7	0	0	112.3	K357	Q355-K357 PolarHBondContact O-N 2.86Å
356	P	61.2	Low	76.4	Confident	120 Å²	120	101.3 Å²	101.3	78%	0.779	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-62.7	133.6	176.9	24.9	-31.3	0	0	0	110
357	K	62.5	Low	76.4	Confident	127 Å²	127	104.6 Å²	104.6	55%	0.552	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-53.9	131.4	174.6	-152.7	178.7	-173.1	-177.9	0	108.2	N199 Q355 R359	N199-K357 PolarHBondContact OD1-NZ 3.02Å; Q355-K357 PolarHBondContact O-N 2.86Å; K357-R359 PolarHBondContact O-N 2.77Å; K357-R359 VanDerWaalsContact O-N 3.15Å
358	P	59.8	Low	76.6	Confident	118 Å²	118	108.4 Å²	108.4	77%	0.766	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-53.9	126.9	176.1	18.5	-28.9	0	0	0	108.6	D360	P358-D360 PolarHBondContact O-N 2.62Å
359	R	65.9	Low	76.7	Confident	164 Å²	164	104.4 Å²	104.4	62%	0.619	54%	0.542	S	S	*	.			trans	-66	100.7	-179.3	-77.9	-174.1	177.2	178.3	0.4	108.1	K357 L364 Q367	K357-R359 PolarHBondContact O-N 2.77Å; K357-R359 VanDerWaalsContact O-N 3.15Å; R359-L364 HydrophobicContact CB-CD1 4.2Å; R359-L364 HydrophobicContact CB-CG 4.36Å; R359-Q367 VanDerWaalsContact NH1-OE1 3.11Å
360	D	75.1	Confident	77.1	Confident	110 Å²	110	101.9 Å²	101.9	59%	0.588	53%	0.53	S	S	*	.			trans	-54.4	146.6	166.9	-177.6	13.4	0	0	0	109.3	P358 G362 C363 L364	P358-D360 PolarHBondContact O-N 2.62Å; D360-G362 PolarHBondContact O-N 3.29Å; D360-G362 VanDerWaalsContact O-N 3.1Å; D360-C363 WeakPolarHBondContact O-CB 3.11Å; D360-C363 PolarHBondContact O-N 2.9Å; D360-L364 PolarHBondContact O-N 2.7Å
361	R	81.2	Confident	77.7	Confident	210 Å²	210	101.5 Å²	101.5	79%	0.792	53%	0.528	S	S	*	.	H	α-helix	trans	-50.7	-36.2	176.8	-70	-177.6	176.3	-178.5	-0.8	110.9	C363 L364 V365	R361-C363 PolarHBondContact O-N 3.38Å; R361-L364 PolarHBondContact O-N 3.06Å; R361-V365 WeakPolarHBondContact O-CG2 3.06Å; R361-V365 PolarHBondContact O-N 3.47Å
362	G	81.5	Confident	78.5	Confident	43 Å²	43	100.1 Å²	100.1	44%	0.443	52%	0.521	S	S	.	.	H	α-helix	trans	-60.8	-37.2	175.3	0	0	0	0	0	114.4	D360 R366	D360-G362 PolarHBondContact O-N 3.29Å; D360-G362 VanDerWaalsContact O-N 3.1Å; G362-R366 WeakPolarHBondContact O-CB 3.21Å; G362-R366 PolarHBondContact O-N 3.42Å
363	C	81.2	Confident	79.2	Confident	57 Å²	57	93.1 Å²	93.1	39%	0.385	49%	0.489	S	S	.	.	H	α-helix	trans	-69.6	-39.7	177	-69.4	0	0	0	0	111.7	D360 R361 R366 Q367	D360-C363 WeakPolarHBondContact O-CB 3.11Å; D360-C363 PolarHBondContact O-N 2.9Å; R361-C363 PolarHBondContact O-N 3.38Å; C363-R366 PolarHBondContact O-N 2.82Å; C363-Q367 WeakPolarHBondContact O-CB 3.34Å; C363-Q367 PolarHBondContact O-N 2.83Å
364	L	85.9	Confident	80.5	Confident	80 Å²	80	89.2 Å²	89.2	42%	0.419	48%	0.482	S	S	.	.	H	α-helix	trans	-63.9	-49.9	175.5	-85.6	151.8	0	0	0	111.6	R359 D360 R361 R366 Q367 V368	R359-L364 HydrophobicContact CB-CD1 4.2Å; R359-L364 HydrophobicContact CB-CG 4.36Å; D360-L364 PolarHBondContact O-N 2.7Å; R361-L364 PolarHBondContact O-N 3.06Å; L364-R366 VanDerWaalsContact C-N 3.26Å; L364-R366 PolarHBondContact O-N 3.34Å; L364-Q367 WeakPolarHBondContact O-CB 3.39Å; L364-Q367 PolarHBondContact O-N 3.29Å; L364-Q367 VanDerWaalsContact O-N 3.11Å; L364-V368 WeakPolarHBondContact O-CG2 3.48Å; L364-V368 PolarHBondContact O-N 2.84Å
365	V	88.2	Confident	82.4	Confident	95 Å²	95	87.7 Å²	87.7	58%	0.576	47%	0.467	S	S	*	.	H	α-helix	trans	-55.8	-45	176	171.3	0	0	0	0	110.4	R361 Q367 V368 V369	R361-V365 WeakPolarHBondContact O-CG2 3.06Å; R361-V365 PolarHBondContact O-N 3.47Å; V365-Q367 PolarHBondContact O-N 3.31Å; V365-V368 PolarHBondContact O-N 3.34Å; V365-V369 HydrophobicContact CG1-CG2 4.41Å; V365-V369 VanDerWaalsContact O-CG2 3.3Å; V365-V369 WeakPolarHBondContact O-CG2 3.28Å; V365-V369 PolarHBondContact O-N 2.95Å
366	R	86.6	Confident	84.4	Confident	39 Å²	39	83.1 Å²	83.1	15%	0.147	45%	0.448	C	S	.	.	H	α-helix	trans	-63.4	-40.7	178	-177	56.6	167.6	170.8	-1.7	112.7	F186 S188 G362 C363 L364 V369 N370	F186-R366 PolarHBondContact O-NH2 3.41Å; S188-R366 PolarHBondContact O-NH2 3.46Å; G362-R366 WeakPolarHBondContact O-CB 3.21Å; G362-R366 PolarHBondContact O-N 3.42Å; C363-R366 PolarHBondContact O-N 2.82Å; L364-R366 VanDerWaalsContact C-N 3.26Å; L364-R366 PolarHBondContact O-N 3.34Å; R366-V369 PolarHBondContact O-N 3.3Å; R366-N370 WeakPolarHBondContact O-CB 3.37Å; R366-N370 VanDerWaalsContact O-CG 3.26Å; R366-N370 PolarHBondContact O-N 3.11Å; R366-N370 PolarHBondContact O-ND2 3.29Å; R366-N370 VanDerWaalsContact O-ND2 3.14Å
367	Q	89.1	Confident	86	Confident	77 Å²	77	78.3 Å²	78.3	36%	0.36	42%	0.416	S	S	.	.	H	α-helix	trans	-62	-46.3	175.8	-174.8	178.7	0.8	0	0	111	R359 C363 L364 V365 N370 I371	R359-Q367 VanDerWaalsContact NH1-OE1 3.11Å; C363-Q367 WeakPolarHBondContact O-CB 3.34Å; C363-Q367 PolarHBondContact O-N 2.83Å; L364-Q367 WeakPolarHBondContact O-CB 3.39Å; L364-Q367 PolarHBondContact O-N 3.29Å; L364-Q367 VanDerWaalsContact O-N 3.11Å; V365-Q367 PolarHBondContact O-N 3.31Å; Q367-N370 PolarHBondContact O-N 3.36Å; Q367-I371 HydrophobicContact CG-CD1 3.94Å; Q367-I371 WeakPolarHBondContact O-CG1 3.48Å; Q367-I371 PolarHBondContact O-N 3.14Å
368	V	92.7	Very high	87.6	Confident	88 Å²	88	75.2 Å²	75.2	53%	0.533	41%	0.414	S	S	.	.	H	α-helix	trans	-58.3	-49.4	175.6	172.9	0	0	0	0	110.5	L364 V365 N370 I371 S372	L364-V368 WeakPolarHBondContact O-CG2 3.48Å; L364-V368 PolarHBondContact O-N 2.84Å; V365-V368 PolarHBondContact O-N 3.34Å; V368-N370 VanDerWaalsContact C-N 3.32Å; V368-N370 PolarHBondContact O-N 3.3Å; V368-I371 PolarHBondContact O-N 3.49Å; V368-I371 VanDerWaalsContact O-N 3.15Å; V368-S372 WeakPolarHBondContact O-CB 3.26Å; V368-S372 PolarHBondContact O-N 3.49Å; V368-S372 PolarHBondContact O-OG 2.84Å; V368-S372 VanDerWaalsContact O-OG 3.06Å
369	V	92.6	Very high	89.3	Confident	52 Å²	52	78 Å²	78	32%	0.315	41%	0.41	S	S	.	.	H	α-helix	trans	-56.7	-44.3	177.5	169.5	0	0	0	0	111.9	F186 V365 R366 S372 L373	F186-V369 HydrophobicContact CD1-CG1 4.1Å; F186-V369 HydrophobicContact CE1-CG1 3.93Å; V365-V369 HydrophobicContact CG1-CG2 4.41Å; V365-V369 VanDerWaalsContact O-CG2 3.3Å; V365-V369 WeakPolarHBondContact O-CG2 3.28Å; V365-V369 PolarHBondContact O-N 2.95Å; R366-V369 PolarHBondContact O-N 3.3Å; V369-S372 PolarHBondContact O-N 2.88Å; V369-L373 WeakPolarHBondContact O-CB 3.39Å; V369-L373 PolarHBondContact O-N 3.2Å
370	N	93.4	Very high	90.7	Very high	17 Å²	17	71.2 Å²	71.2	9%	0.091	39%	0.385	C	S	.	.	H	α-helix	trans	-66.1	-39	178.5	-72.2	-36.6	0	0	0	112.3	S203 I205 R366 Q367 V368 L373 G374	S203-N370 VanDerWaalsContact OG-CG 3.31Å; S203-N370 PolarHBondContact OG-ND2 3.17Å; S203-N370 PolarHBondContact OG-OD1 2.86Å; I205-N370 HydrophobicContact CD1-CB 4.16Å; I205-N370 WeakPolarHBondContact CD1-O 3.32Å; I205-N370 WeakPolarHBondContact CG2-O 3.46Å; R366-N370 WeakPolarHBondContact O-CB 3.37Å; R366-N370 VanDerWaalsContact O-CG 3.26Å; R366-N370 PolarHBondContact O-N 3.11Å; R366-N370 PolarHBondContact O-ND2 3.29Å; R366-N370 VanDerWaalsContact O-ND2 3.14Å; Q367-N370 PolarHBondContact O-N 3.36Å; V368-N370 VanDerWaalsContact C-N 3.32Å; V368-N370 PolarHBondContact O-N 3.3Å; N370-L373 PolarHBondContact O-N 2.93Å; N370-G374 PolarHBondContact O-N 3.03Å
371	I	95.2	Very high	91.7	Very high	77 Å²	77	66.4 Å²	66.4	40%	0.395	36%	0.36	S	S	.	.	H	α-helix	trans	-67	-46.2	176.6	-68.8	168.7	0	0	0	110.1	I205 Q367 V368 L373 G374 I375	I205-I371 HydrophobicContact CD1-CG1 4Å; Q367-I371 HydrophobicContact CG-CD1 3.94Å; Q367-I371 WeakPolarHBondContact O-CG1 3.48Å; Q367-I371 PolarHBondContact O-N 3.14Å; V368-I371 PolarHBondContact O-N 3.49Å; V368-I371 VanDerWaalsContact O-N 3.15Å; I371-L373 VanDerWaalsContact C-N 3.28Å; I371-L373 PolarHBondContact O-N 3.4Å; I371-G374 WeakPolarHBondContact O-CA 3.41Å; I371-G374 PolarHBondContact O-N 2.98Å; I371-I375 HydrophobicContact CG2-CD1 4.02Å; I371-I375 WeakPolarHBondContact O-CG1 3.36Å; I371-I375 PolarHBondContact O-N 3.46Å
372	S	96.1	Very high	92.3	Very high	64 Å²	64	60.2 Å²	60.2	45%	0.448	35%	0.345	S	S	.	.	H	α-helix	trans	-58.6	-40.5	175.6	-59.8	0	0	0	0	111.9	V368 V369 I375 L376	V368-S372 WeakPolarHBondContact O-CB 3.26Å; V368-S372 PolarHBondContact O-N 3.49Å; V368-S372 PolarHBondContact O-OG 2.84Å; V368-S372 VanDerWaalsContact O-OG 3.06Å; V369-S372 PolarHBondContact O-N 2.88Å; S372-I375 PolarHBondContact O-N 3.42Å; S372-L376 WeakPolarHBondContact O-CB 3.49Å; S372-L376 PolarHBondContact O-N 2.83Å
373	L	95.3	Very high	92.8	Very high	9 Å²	9	60.2 Å²	60.2	5%	0.047	34%	0.338	C	S	.	.	H	α-helix	trans	-60.3	-44.8	172.1	176.2	68.5	0	0	0	111.7	F182 F186 V206 V369 N370 I371 I375 L376 V377	F182-L373 HydrophobicContact CD1-CD1 4.49Å; F182-L373 HydrophobicContact CE1-CD1 3.53Å; F182-L373 HydrophobicContact CZ-CD1 4.02Å; F186-L373 HydrophobicContact CB-CD2 3.72Å; F186-L373 HydrophobicContact CD1-CD2 4Å; F186-L373 HydrophobicContact CD2-CD1 3.94Å; F186-L373 HydrophobicContact CD2-CD2 3.62Å; F186-L373 HydrophobicContact CD2-CG 4.41Å; F186-L373 HydrophobicContact CE2-CD1 3.73Å; F186-L373 HydrophobicContact CE2-CD2 4.22Å; F186-L373 HydrophobicContact CG-CD2 3.51Å; F186-L373 HydrophobicContact CZ-CD1 4.11Å; V206-L373 HydrophobicContact CG2-CD2 3.78Å; V369-L373 WeakPolarHBondContact O-CB 3.39Å; V369-L373 PolarHBondContact O-N 3.2Å; N370-L373 PolarHBondContact O-N 2.93Å; I371-L373 VanDerWaalsContact C-N 3.28Å; I371-L373 PolarHBondContact O-N 3.4Å; L373-I375 VanDerWaalsContact C-N 3.34Å; L373-I375 PolarHBondContact O-N 3.11Å; L373-L376 PolarHBondContact O-N 3.41Å; L373-V377 HydrophobicContact CD1-CG2 4.18Å; L373-V377 HydrophobicContact CG-CG2 4.47Å; L373-V377 WeakPolarHBondContact O-CG2 3.46Å; L373-V377 PolarHBondContact O-N 2.89Å
374	G	96	Very high	93.3	Very high	23 Å²	23	57.5 Å²	57.5	24%	0.237	32%	0.319	C	S	.	.	H	α-helix	trans	-59.3	-43.8	176.7	0	0	0	0	0	112.5	N370 I371 V377 A378	N370-G374 PolarHBondContact O-N 3.03Å; I371-G374 WeakPolarHBondContact O-CA 3.41Å; I371-G374 PolarHBondContact O-N 2.98Å; G374-V377 PolarHBondContact O-N 2.9Å; G374-A378 WeakPolarHBondContact O-CB 3.26Å; G374-A378 PolarHBondContact O-N 2.85Å
375	I	97.1	Very high	93.7	Very high	112 Å²	112	56.3 Å²	56.3	57%	0.574	32%	0.315	S	S	*	.	H	α-helix	trans	-63.1	-46	175.8	-65.8	168.1	0	0	0	110.6	I371 S372 L373 A378 W379	I371-I375 HydrophobicContact CG2-CD1 4.02Å; I371-I375 WeakPolarHBondContact O-CG1 3.36Å; I371-I375 PolarHBondContact O-N 3.46Å; S372-I375 PolarHBondContact O-N 3.42Å; L373-I375 VanDerWaalsContact C-N 3.34Å; L373-I375 PolarHBondContact O-N 3.11Å; I375-A378 PolarHBondContact O-N 3.35Å; I375-W379 WeakPolarHBondContact O-CB 3.26Å; I375-W379 PolarHBondContact O-N 3.24Å
376	L	96.1	Very high	93.9	Very high	64 Å²	64	57.1 Å²	57.1	34%	0.335	32%	0.315	S	S	.	.	H	α-helix	trans	-59.3	-49.1	178	177.5	65.8	0	0	0	111.6	F182 S372 L373 A378 W379 L380	F182-L376 HydrophobicContact CZ-CD2 4.26Å; S372-L376 WeakPolarHBondContact O-CB 3.49Å; S372-L376 PolarHBondContact O-N 2.83Å; L373-L376 PolarHBondContact O-N 3.41Å; L376-A378 VanDerWaalsContact C-N 3.32Å; L376-A378 PolarHBondContact O-N 3.16Å; L376-W379 HydrophobicContact CD1-CE3 4.35Å; L376-W379 PolarHBondContact O-N 3.46Å; L376-L380 HydrophobicContact CD1-CD1 3.92Å; L376-L380 HydrophobicContact CD1-CG 4.13Å; L376-L380 HydrophobicContact CG-CD1 3.99Å; L376-L380 HydrophobicContact CG-CG 4.49Å; L376-L380 WeakPolarHBondContact O-CB 3.39Å; L376-L380 WeakPolarHBondContact O-CG 3.44Å; L376-L380 PolarHBondContact O-N 3.43Å
377	V	95.6	Very high	94.1	Very high	18 Å²	18	55.9 Å²	55.9	11%	0.109	31%	0.312	C	S	.	.	H	α-helix	trans	-63.3	-40.3	179	171.8	0	0	0	0	110.9	L373 G374 S381 V405	L373-V377 HydrophobicContact CD1-CG2 4.18Å; L373-V377 HydrophobicContact CG-CG2 4.47Å; L373-V377 WeakPolarHBondContact O-CG2 3.46Å; L373-V377 PolarHBondContact O-N 2.89Å; G374-V377 PolarHBondContact O-N 2.9Å; V377-S381 VanDerWaalsContact O-CB 3.28Å; V377-S381 WeakPolarHBondContact O-CB 3.34Å; V377-S381 PolarHBondContact O-N 3.17Å; V377-S381 PolarHBondContact O-OG 2.73Å; V377-V405 HydrophobicContact CG1-CG2 4.45Å
378	A	95.4	Very high	94.2	Very high	62 Å²	62	52.9 Å²	52.9	51%	0.512	30%	0.298	S	S	.	.	H	α-helix	trans	-62.9	-45.7	176.4	0	0	0	0	0	111.7	G374 I375 L376 S381	G374-A378 WeakPolarHBondContact O-CB 3.26Å; G374-A378 PolarHBondContact O-N 2.85Å; I375-A378 PolarHBondContact O-N 3.35Å; L376-A378 VanDerWaalsContact C-N 3.32Å; L376-A378 PolarHBondContact O-N 3.16Å; A378-S381 WeakPolarHBondContact O-CB 3.43Å; A378-S381 PolarHBondContact O-N 3.46Å
379	W	96.1	Very high	94.1	Very high	178 Å²	178	55.2 Å²	55.2	67%	0.674	31%	0.307	S	S	*	.	H	α-helix	trans	-62.7	-48.3	177.4	179.1	73.3	0	0	0	112.1	I375 L376 S381 V382	I375-W379 WeakPolarHBondContact O-CB 3.26Å; I375-W379 PolarHBondContact O-N 3.24Å; L376-W379 HydrophobicContact CD1-CE3 4.35Å; L376-W379 PolarHBondContact O-N 3.46Å; W379-S381 PolarHBondContact O-N 2.92Å; W379-V382 WeakPolarHBondContact O-CB 3.38Å; W379-V382 WeakPolarHBondContact O-CG2 3.5Å; W379-V382 PolarHBondContact O-N 3.34Å
380	L	94.9	Very high	94	Very high	21 Å²	21	54.7 Å²	54.7	11%	0.11	31%	0.305	C	S	.	.	H	α-helix	trans	-66.1	-19	176.7	-69.3	177.9	0	0	0	113.4	L376 P383 I404 V405	L376-L380 HydrophobicContact CD1-CD1 3.92Å; L376-L380 HydrophobicContact CD1-CG 4.13Å; L376-L380 HydrophobicContact CG-CD1 3.99Å; L376-L380 HydrophobicContact CG-CG 4.49Å; L376-L380 WeakPolarHBondContact O-CB 3.39Å; L376-L380 WeakPolarHBondContact O-CG 3.44Å; L376-L380 PolarHBondContact O-N 3.43Å; L380-P383 WeakPolarHBondContact O-CD 3.46Å; L380-I404 HydrophobicContact CD1-CB 3.97Å; L380-I404 HydrophobicContact CD1-CG2 3.86Å; L380-V405 HydrophobicContact CB-CB 3.89Å; L380-V405 HydrophobicContact CB-CG2 3.53Å; L380-V405 HydrophobicContact CD1-CG2 4.07Å; L380-V405 HydrophobicContact CG-CG2 4.47Å
381	S	94.9	Very high	93.6	Very high	8 Å²	8	58.6 Å²	58.6	6%	0.056	33%	0.334	C	S	.	.	H	α-helix	trans	-78.7	-16.1	176.7	-63.7	0	0	0	0	113.5	W212 V377 A378 W379 V384 V385	W212-S381 PolarHBondContact NE1-OG 2.87Å; V377-S381 VanDerWaalsContact O-CB 3.28Å; V377-S381 WeakPolarHBondContact O-CB 3.34Å; V377-S381 PolarHBondContact O-N 3.17Å; V377-S381 PolarHBondContact O-OG 2.73Å; A378-S381 WeakPolarHBondContact O-CB 3.43Å; A378-S381 PolarHBondContact O-N 3.46Å; W379-S381 PolarHBondContact O-N 2.92Å; S381-V384 WeakPolarHBondContact O-CB 3.48Å; S381-V384 PolarHBondContact O-N 3.19Å; S381-V384 VanDerWaalsContact O-N 3.17Å; S381-V385 WeakPolarHBondContact O-CG2 3.38Å; S381-V385 PolarHBondContact O-N 2.98Å
382	V	93.7	Very high	93.1	Very high	80 Å²	80	65.1 Å²	65.1	49%	0.485	35%	0.354	S	S	.	.	H	α-helix	trans	-53.7	-56.5	179.9	174.6	0	0	0	0	112.8	W379 V384 V385 I386	W379-V382 WeakPolarHBondContact O-CB 3.38Å; W379-V382 WeakPolarHBondContact O-CG2 3.5Å; W379-V382 PolarHBondContact O-N 3.34Å; V382-V384 PolarHBondContact O-N 3.19Å; V382-V385 PolarHBondContact O-N 3.27Å; V382-I386 HydrophobicContact CG1-CD1 3.86Å; V382-I386 VanDerWaalsContact O-CG1 3.32Å; V382-I386 WeakPolarHBondContact O-CG1 3.3Å; V382-I386 PolarHBondContact O-N 2.86Å
383	P	93.2	Very high	92.7	Very high	44 Å²	44	62.9 Å²	62.9	29%	0.286	34%	0.336	S	S	.	.	H	α-helix	trans	-62.7	-32	178.6	24.3	-35	0	0	0	112.8	L380 I386 N387 F399	L380-P383 WeakPolarHBondContact O-CD 3.46Å; P383-I386 PolarHBondContact O-N 3.13Å; P383-N387 WeakPolarHBondContact O-CB 3.36Å; P383-N387 PolarHBondContact O-N 3.3Å; P383-F399 HydrophobicContact CB-CB 4.43Å; P383-F399 HydrophobicContact CB-CD1 3.91Å; P383-F399 HydrophobicContact CB-CD2 4.26Å; P383-F399 HydrophobicContact CB-CE1 4.22Å; P383-F399 HydrophobicContact CB-CG 3.93Å; P383-F399 HydrophobicContact CG-CB 4.11Å; P383-F399 HydrophobicContact CG-CD1 4.49Å; P383-F399 HydrophobicContact CG-CD2 4.31Å; P383-F399 HydrophobicContact CG-CG 4.05Å
384	V	92.3	Very high	92.1	Very high	0 Å²	0	67 Å²	67	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-68.7	-43.5	178.8	176.8	0	0	0	0	111.5	R216 S381 V382 N387 L388 F399 V405 T407	R216-V384 VanDerWaalsContact CD-CG1 3.49Å; R216-V384 HydrophobicContact CG-CG1 4.41Å; S381-V384 WeakPolarHBondContact O-CB 3.48Å; S381-V384 PolarHBondContact O-N 3.19Å; S381-V384 VanDerWaalsContact O-N 3.17Å; V382-V384 PolarHBondContact O-N 3.19Å; V384-N387 PolarHBondContact O-N 2.97Å; V384-L388 HydrophobicContact CG1-CD1 4.4Å; V384-L388 WeakPolarHBondContact O-CG 3.36Å; V384-L388 PolarHBondContact O-N 3.35Å; V384-F399 HydrophobicContact CG2-CD2 3.84Å; V384-F399 HydrophobicContact CG2-CE2 3.87Å; V384-V405 HydrophobicContact CG2-CG1 4Å; V384-T407 HydrophobicContact CB-CG2 4.27Å; V384-T407 HydrophobicContact CG1-CG2 3.8Å; V384-T407 HydrophobicContact CG2-CG2 4.22Å
385	V	93.1	Very high	91.4	Very high	55 Å²	55	70.1 Å²	70.1	33%	0.333	37%	0.367	S	S	.	.	H	α-helix	trans	-65.3	-42.8	175.9	173.1	0	0	0	0	110.5	W212 S381 V382 N387 L388 L389	W212-V385 HydrophobicContact CH2-CG2 3.9Å; W212-V385 HydrophobicContact CZ2-CG2 3.82Å; S381-V385 WeakPolarHBondContact O-CG2 3.38Å; S381-V385 PolarHBondContact O-N 2.98Å; V382-V385 PolarHBondContact O-N 3.27Å; V385-N387 VanDerWaalsContact C-N 3.28Å; V385-N387 PolarHBondContact O-N 3.49Å; V385-L388 PolarHBondContact O-N 3.39Å; V385-L388 VanDerWaalsContact O-N 3.17Å; V385-L389 HydrophobicContact CG1-CD1 3.98Å; V385-L389 HydrophobicContact CG1-CG 4.4Å; V385-L389 WeakPolarHBondContact O-CG 3.29Å; V385-L389 PolarHBondContact O-N 2.75Å
386	I	92.6	Very high	90.7	Very high	112 Å²	112	67.5 Å²	67.5	57%	0.574	35%	0.354	S	S	*	.	H	α-helix	trans	-57.3	-44.3	174.2	-67.2	167.2	0	0	0	110.5	V382 P383 L388 L389 S390	V382-I386 HydrophobicContact CG1-CD1 3.86Å; V382-I386 VanDerWaalsContact O-CG1 3.32Å; V382-I386 WeakPolarHBondContact O-CG1 3.3Å; V382-I386 PolarHBondContact O-N 2.86Å; P383-I386 PolarHBondContact O-N 3.13Å; I386-L388 PolarHBondContact O-N 3.02Å; I386-L389 PolarHBondContact O-N 3Å; I386-S390 PolarHBondContact O-N 3.32Å
387	N	91.7	Very high	90	Very high	13 Å²	13	66.3 Å²	66.3	7%	0.07	35%	0.349	C	S	.	.	H	α-helix	trans	-64.2	-38.7	176.8	-175.5	67.1	0	0	0	113.2	P383 V384 V385 L389 S390 Q393 I394 F399 T407	P383-N387 WeakPolarHBondContact O-CB 3.36Å; P383-N387 PolarHBondContact O-N 3.3Å; V384-N387 PolarHBondContact O-N 2.97Å; V385-N387 VanDerWaalsContact C-N 3.28Å; V385-N387 PolarHBondContact O-N 3.49Å; N387-L389 VanDerWaalsContact C-N 3.34Å; N387-S390 WeakPolarHBondContact O-CB 3.34Å; N387-S390 PolarHBondContact O-N 3.35Å; N387-Q393 WeakPolarHBondContact ND2-CG 3.44Å; N387-I394 PolarHBondContact ND2-O 3.05Å; N387-I394 PolarHBondContact OD1-N 3.49Å; N387-F399 HydrophobicContact CB-CZ 4.32Å; N387-T407 HydrophobicContact CB-CG2 4Å; N387-T407 WeakPolarHBondContact ND2-CG2 3.5Å
388	L	89.9	Confident	89.4	Confident	14 Å²	14	67.4 Å²	67.4	7%	0.073	36%	0.358	C	S	.	.	H	α-helix	trans	-66.5	-36.5	176.4	-72.3	171.1	0	0	0	112.2	R216 L223 R227 V384 V385 I386 S390	R216-L388 HydrophobicContact CG-CD1 4.19Å; L223-L388 HydrophobicContact CD1-CD2 4.23Å; R227-L388 PolarHBondContact NH1-O 2.9Å; R227-L388 PolarHBondContact NH2-O 3.49Å; V384-L388 HydrophobicContact CG1-CD1 4.4Å; V384-L388 WeakPolarHBondContact O-CG 3.36Å; V384-L388 PolarHBondContact O-N 3.35Å; V385-L388 PolarHBondContact O-N 3.39Å; V385-L388 VanDerWaalsContact O-N 3.17Å; I386-L388 PolarHBondContact O-N 3.02Å; L388-S390 VanDerWaalsContact C-N 3.33Å
389	L	91.6	Very high	88.7	Confident	137 Å²	137	68.6 Å²	68.6	72%	0.717	35%	0.352	S	S	*	.	H	α-helix	trans	-76.2	-21.2	176.5	-65.3	175	0	0	0	112.8	V385 I386 N387	V385-L389 HydrophobicContact CG1-CD1 3.98Å; V385-L389 HydrophobicContact CG1-CG 4.4Å; V385-L389 WeakPolarHBondContact O-CG 3.29Å; V385-L389 PolarHBondContact O-N 2.75Å; I386-L389 PolarHBondContact O-N 3Å; N387-L389 VanDerWaalsContact C-N 3.34Å
390	S	89.9	Confident	88.2	Confident	41 Å²	41	61.3 Å²	61.3	29%	0.287	33%	0.326	S	S	.	.	S	Bend	trans	-65.8	140.8	177.2	-177.8	0	0	0	0	112.2	R227 I386 N387 L388 R392	R227-S390 PolarHBondContact NH1-O 2.9Å; R227-S390 PolarHBondContact NH2-O 3.14Å; I386-S390 PolarHBondContact O-N 3.32Å; N387-S390 WeakPolarHBondContact O-CB 3.34Å; N387-S390 PolarHBondContact O-N 3.35Å; L388-S390 VanDerWaalsContact C-N 3.33Å; S390-R392 VanDerWaalsContact C-N 3.25Å; S390-R392 PolarHBondContact OG-N 2.83Å; S390-R392 VanDerWaalsContact OG-N 3.09Å; S390-R392 PolarHBondContact OG-O 2.85Å
391	S	85.7	Confident	87.6	Confident	99 Å²	99	63.1 Å²	63.1	69%	0.692	34%	0.338	S	S	*	.	S	Bend	trans	-69.2	-26.3	168.8	57.2	0	0	0	0	112.3
392	R	84.6	Confident	87.2	Confident	214 Å²	214	66 Å²	66	81%	0.808	35%	0.353	S	S	*	.	S	Bend	trans	-104.9	63.1	175.7	-63.7	-173.5	-179.3	-173.3	0.8	110.1	S390 I394	S390-R392 VanDerWaalsContact C-N 3.25Å; S390-R392 PolarHBondContact OG-N 2.83Å; S390-R392 VanDerWaalsContact OG-N 3.09Å; S390-R392 PolarHBondContact OG-O 2.85Å; R392-I394 PolarHBondContact O-N 3.03Å
393	Q	86.1	Confident	87	Confident	16 Å²	16	64.7 Å²	64.7	8%	0.075	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-62.7	132.4	178.1	-179.2	-175	-31.1	0	0	110.7	G220 L223 I224 N387	G220-Q393 PolarHBondContact O-NE2 2.85Å; L223-Q393 VanDerWaalsContact CB-OE1 3.3Å; I224-Q393 HydrophobicContact CD1-CB 4.05Å; I224-Q393 HydrophobicContact CD1-CG 4.18Å; I224-Q393 WeakPolarHBondContact CD1-O 3.45Å; N387-Q393 WeakPolarHBondContact ND2-CG 3.44Å
394	I	83.8	Confident	86.9	Confident	97 Å²	97	63.3 Å²	63.3	50%	0.497	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-93.4	133.1	172.9	-47.2	176.8	0	0	0	109.3	N387 R392 T397 T407	N387-I394 PolarHBondContact ND2-O 3.05Å; N387-I394 PolarHBondContact OD1-N 3.49Å; R392-I394 PolarHBondContact O-N 3.03Å; I394-T397 WeakPolarHBondContact CG2-OG1 3.48Å; I394-T407 PolarHBondContact O-OG1 3.48Å
395	M	81.4	Confident	87	Confident	87 Å²	87	63.3 Å²	63.3	43%	0.429	33%	0.33	S	S	.	.	S	Bend	trans	-88.8	143.7	-176.3	-177	168.9	75.7	0	0	111.8	T397 G409	M395-T397 VanDerWaalsContact C-N 3.28Å; M395-T397 PolarHBondContact O-N 3.49Å; M395-T397 VanDerWaalsContact O-N 3.15Å; M395-T397 PolarHBondContact O-OG1 2.84Å; M395-T397 VanDerWaalsContact O-OG1 3.14Å; M395-G409 WeakPolarHBondContact CG-O 3.31Å
396	N	82	Confident	87	Confident	57 Å²	57	60.7 Å²	60.7	31%	0.305	31%	0.314	S	S	.	.	S	Bend	trans	50.4	40.8	169	-61.5	-26.8	0	0	0	114.8	T407 Y408 G409	N396-T407 WeakPolarHBondContact CA-O 3.5Å; N396-Y408 WeakPolarHBondContact OD1-CA 3.22Å; N396-G409 PolarHBondContact ND2-O 2.91Å; N396-G409 PolarHBondContact OD1-N 3.19Å; N396-G409 PolarHBondContact OD1-O 2.89Å; N396-G409 VanDerWaalsContact OD1-O 3.14Å
397	T	81.4	Confident	86.8	Confident	40 Å²	40	55.5 Å²	55.5	25%	0.245	29%	0.287	C	S	.	.			trans	-102.9	137.5	-175.6	-59.5	0	0	0	0	111.6	I394 M395 F399 N406 T407	I394-T397 WeakPolarHBondContact CG2-OG1 3.48Å; M395-T397 VanDerWaalsContact C-N 3.28Å; M395-T397 PolarHBondContact O-N 3.49Å; M395-T397 VanDerWaalsContact O-N 3.15Å; M395-T397 PolarHBondContact O-OG1 2.84Å; M395-T397 VanDerWaalsContact O-OG1 3.14Å; T397-F399 HydrophobicContact CG2-CE1 4.26Å; T397-F399 HydrophobicContact CG2-CE2 4.43Å; T397-F399 HydrophobicContact CG2-CZ 4.17Å; T397-N406 WeakPolarHBondContact O-CB 3.31Å; T397-T407 PolarHBondContact N-OG1 3.31Å; T397-T407 PolarHBondContact O-N 3.24Å; T397-T407 PolarHBondContact O-OG1 2.78Å
398	S	82.7	Confident	86.7	Confident	40 Å²	40	55.2 Å²	55.2	28%	0.28	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-101.8	125.8	169.6	-66.4	0	0	0	0	110	R403 N406	S398-R403 WeakPolarHBondContact OG-CG 3.4Å; S398-N406 WeakPolarHBondContact CA-OD1 3.48Å; S398-N406 WeakPolarHBondContact CB-OD1 3.31Å; S398-N406 PolarHBondContact OG-OD1 2.99Å
399	F	81.9	Confident	86.5	Confident	88 Å²	88	54.9 Å²	54.9	39%	0.386	29%	0.285	S	S	.	.	S	Bend	trans	-91.8	-0.2	179	-60.9	-84.7	0	0	0	113.2	P383 V384 N387 T397 T407	P383-F399 HydrophobicContact CB-CB 4.43Å; P383-F399 HydrophobicContact CB-CD1 3.91Å; P383-F399 HydrophobicContact CB-CD2 4.26Å; P383-F399 HydrophobicContact CB-CE1 4.22Å; P383-F399 HydrophobicContact CB-CG 3.93Å; P383-F399 HydrophobicContact CG-CB 4.11Å; P383-F399 HydrophobicContact CG-CD1 4.49Å; P383-F399 HydrophobicContact CG-CD2 4.31Å; P383-F399 HydrophobicContact CG-CG 4.05Å; V384-F399 HydrophobicContact CG2-CD2 3.84Å; V384-F399 HydrophobicContact CG2-CE2 3.87Å; N387-F399 HydrophobicContact CB-CZ 4.32Å; T397-F399 HydrophobicContact CG2-CE1 4.26Å; T397-F399 HydrophobicContact CG2-CE2 4.43Å; T397-F399 HydrophobicContact CG2-CZ 4.17Å; F399-T407 HydrophobicContact CE2-CG2 3.66Å; F399-T407 HydrophobicContact CZ-CG2 4.18Å
400	N	84.9	Confident	86	Confident	25 Å²	25	49.7 Å²	49.7	13%	0.134	26%	0.261	C	S	.	.	S	Bend	trans	-143.5	150.3	179	63.6	93.2	0	0	0	110	L402 R403 I404	N400-L402 PolarHBondContact O-N 2.95Å; N400-L402 PolarHBondContact OD1-N 3.31Å; N400-R403 PolarHBondContact O-N 3.34Å; N400-R403 VanDerWaalsContact O-N 3.07Å; N400-R403 PolarHBondContact OD1-N 3.3Å; N400-I404 PolarHBondContact OD1-N 3.31Å
401	P	82.4	Confident	85.6	Confident	58 Å²	58	49.9 Å²	49.9	38%	0.377	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-28.5	-176.8	-23.9	33.8	0	0	0	114.7	T108 P111 R403	T108-P401 HydrophobicContact CG2-CG 3.92Å; T108-P401 WeakPolarHBondContact O-CB 3.39Å; T108-P401 WeakPolarHBondContact O-CG 3.38Å; P111-P401 HydrophobicContact CG-CB 4.16Å; P401-R403 PolarHBondContact O-N 3.04Å
402	L	86.8	Confident	85.3	Confident	69 Å²	69	45.4 Å²	45.4	36%	0.361	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-4.9	179.7	-59.8	-180	0	0	0	113.1	P111 W155 M159 N400 I404	P111-L402 HydrophobicContact CB-CD2 4.19Å; P111-L402 HydrophobicContact CG-CD2 4.19Å; W155-L402 HydrophobicContact CH2-CD2 4.31Å; M159-L402 HydrophobicContact CE-CB 4.07Å; M159-L402 HydrophobicContact CE-CD2 3.89Å; M159-L402 VanDerWaalsContact CE-O 3.29Å; M159-L402 WeakPolarHBondContact CE-O 3.44Å; M159-L402 HydrophobicContact SD-CD2 3.84Å; N400-L402 PolarHBondContact O-N 2.95Å; N400-L402 PolarHBondContact OD1-N 3.31Å; L402-I404 HydrophobicContact CB-CD1 3.71Å; L402-I404 HydrophobicContact CB-CG1 3.7Å; L402-I404 HydrophobicContact CD1-CD1 3.87Å; L402-I404 HydrophobicContact CG-CD1 4.46Å; L402-I404 PolarHBondContact O-N 3.2Å
403	R	90.1	Very high	85.4	Confident	53 Å²	53	39.3 Å²	39.3	20%	0.2	22%	0.217	C	C	.	.			trans	50.3	40.2	179.4	-46.8	-166.8	-170.5	-175.5	4.3	113.2	V162 N163 L178 S398 N400 P401 N406	V162-R403 VanDerWaalsContact CG1-CZ 3.45Å; N163-R403 PolarHBondContact OD1-NH2 3.21Å; L178-R403 HydrophobicContact CB-CB 4.46Å; L178-R403 HydrophobicContact CD1-CB 4.14Å; L178-R403 HydrophobicContact CD1-CG 4.3Å; S398-R403 WeakPolarHBondContact OG-CG 3.4Å; N400-R403 PolarHBondContact O-N 3.34Å; N400-R403 VanDerWaalsContact O-N 3.07Å; N400-R403 PolarHBondContact OD1-N 3.3Å; P401-R403 PolarHBondContact O-N 3.04Å; R403-N406 WeakPolarHBondContact CA-OD1 3.3Å; R403-N406 PolarHBondContact O-ND2 2.9Å
404	I	91.1	Very high	85.5	Confident	14 Å²	14	39.1 Å²	39.1	7%	0.072	22%	0.217	C	C	.	.			trans	-76.3	-36.6	-173.3	-65.3	169.4	0	0	0	112.7	E179 F182 L380 N400 L402	E179-I404 WeakPolarHBondContact CB-O 3.45Å; E179-I404 WeakPolarHBondContact CG-O 3.3Å; F182-I404 HydrophobicContact CD1-CG1 4.5Å; F182-I404 HydrophobicContact CD1-CG2 3.5Å; F182-I404 HydrophobicContact CD2-CD1 4.44Å; F182-I404 HydrophobicContact CD2-CG1 4.33Å; F182-I404 HydrophobicContact CE1-CG2 3.49Å; F182-I404 VanDerWaalsContact CE1-CG2 3.49Å; F182-I404 HydrophobicContact CE2-CD1 4.08Å; F182-I404 HydrophobicContact CE2-CG1 4.44Å; F182-I404 HydrophobicContact CG-CG1 4.35Å; F182-I404 HydrophobicContact CG-CG2 4.13Å; F182-I404 HydrophobicContact CZ-CD1 4.11Å; F182-I404 HydrophobicContact CZ-CG2 4.14Å; L380-I404 HydrophobicContact CD1-CB 3.97Å; L380-I404 HydrophobicContact CD1-CG2 3.86Å; N400-I404 PolarHBondContact OD1-N 3.31Å; L402-I404 HydrophobicContact CB-CD1 3.71Å; L402-I404 HydrophobicContact CB-CG1 3.7Å; L402-I404 HydrophobicContact CD1-CD1 3.87Å; L402-I404 HydrophobicContact CG-CD1 4.46Å; L402-I404 PolarHBondContact O-N 3.2Å
405	V	92.8	Very high	85.8	Confident	1 Å²	1	37 Å²	37	1%	0.006	21%	0.208	C	C	.	.	S	Bend	trans	-135.9	118.1	175.7	-170.2	0	0	0	0	108.4	E179 V377 L380 V384	E179-V405 WeakPolarHBondContact OE1-CA 3.31Å; V377-V405 HydrophobicContact CG1-CG2 4.45Å; L380-V405 HydrophobicContact CB-CB 3.89Å; L380-V405 HydrophobicContact CB-CG2 3.53Å; L380-V405 HydrophobicContact CD1-CG2 4.07Å; L380-V405 HydrophobicContact CG-CG2 4.47Å; V384-V405 HydrophobicContact CG2-CG1 4Å
406	N	92.9	Very high	86.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-126.3	169.4	-172.7	-47.2	-65.9	0	0	0	112.5	S175 E179 R216 T397 S398 R403 Y408	S175-N406 PolarHBondContact O-ND2 2.99Å; E179-N406 PolarHBondContact OE2-N 2.8Å; E179-N406 PolarHBondContact OE2-ND2 2.7Å; R216-N406 PolarHBondContact NH1-O 2.76Å; T397-N406 WeakPolarHBondContact O-CB 3.31Å; S398-N406 WeakPolarHBondContact CA-OD1 3.48Å; S398-N406 WeakPolarHBondContact CB-OD1 3.31Å; S398-N406 PolarHBondContact OG-OD1 2.99Å; R403-N406 WeakPolarHBondContact CA-OD1 3.3Å; R403-N406 PolarHBondContact O-ND2 2.9Å; N406-Y408 HydrophobicContact CB-CE1 4.27Å; N406-Y408 HydrophobicContact CB-CE2 4.26Å; N406-Y408 PolarHBondContact ND2-OH 3.35Å
407	T	89.5	Confident	86.9	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.012	22%	0.219	C	C	.	.			trans	-93.8	149.3	164.7	58.5	0	0	0	0	110.1	V384 N387 I394 N396 T397 F399	V384-T407 HydrophobicContact CB-CG2 4.27Å; V384-T407 HydrophobicContact CG1-CG2 3.8Å; V384-T407 HydrophobicContact CG2-CG2 4.22Å; N387-T407 HydrophobicContact CB-CG2 4Å; N387-T407 WeakPolarHBondContact ND2-CG2 3.5Å; I394-T407 PolarHBondContact O-OG1 3.48Å; N396-T407 WeakPolarHBondContact CA-O 3.5Å; T397-T407 PolarHBondContact N-OG1 3.31Å; T397-T407 PolarHBondContact O-N 3.24Å; T397-T407 PolarHBondContact O-OG1 2.78Å; F399-T407 HydrophobicContact CE2-CG2 3.66Å; F399-T407 HydrophobicContact CZ-CG2 4.18Å
408	Y	90.1	Very high	87.5	Confident	8 Å²	8	38.5 Å²	38.5	3%	0.031	21%	0.208	C	C	.	.			trans	-130.1	141.5	179.3	-58.8	-74.1	0	0	0	109.4	Q176 E179 L213 I217 G220 N396 N406	Q176-Y408 WeakPolarHBondContact CA-OH 3.47Å; Q176-Y408 HydrophobicContact CB-CD1 4.32Å; Q176-Y408 HydrophobicContact CB-CE1 3.54Å; Q176-Y408 HydrophobicContact CG-CE1 4.1Å; E179-Y408 WeakPolarHBondContact OE2-CE2 3.31Å; E179-Y408 PolarHBondContact OE2-OH 3.48Å; L213-Y408 HydrophobicContact CD1-CD2 4.47Å; L213-Y408 HydrophobicContact CD1-CE2 3.61Å; I217-Y408 HydrophobicContact CB-CD2 4.47Å; I217-Y408 HydrophobicContact CG1-CD2 3.49Å; I217-Y408 VanDerWaalsContact CG1-CD2 3.49Å; I217-Y408 HydrophobicContact CG1-CE2 4Å; I217-Y408 HydrophobicContact CG1-CG 3.83Å; G220-Y408 CarbonylContact C-O 3.58Å; G220-Y408 VanDerWaalsContact C-O 3.29Å; G220-Y408 WeakPolarHBondContact CA-O 3.31Å; N396-Y408 WeakPolarHBondContact OD1-CA 3.22Å; N406-Y408 HydrophobicContact CB-CE1 4.27Å; N406-Y408 HydrophobicContact CB-CE2 4.26Å; N406-Y408 PolarHBondContact ND2-OH 3.35Å
409	G	84.4	Confident	88.1	Confident	6 Å²	6	37.9 Å²	37.9	6%	0.062	20%	0.202	C	C	.	.			trans	-157.9	150.4	170.2	0	0	0	0	0	109.9	M395 N396	M395-G409 WeakPolarHBondContact CG-O 3.31Å; N396-G409 PolarHBondContact ND2-O 2.91Å; N396-G409 PolarHBondContact OD1-N 3.19Å; N396-G409 PolarHBondContact OD1-O 2.89Å; N396-G409 VanDerWaalsContact OD1-O 3.14Å
410	A	81.4	Confident	88.8	Confident	28 Å²	28	33.7 Å²	33.7	23%	0.231	18%	0.184	C	C	.	.			trans	-139.9	133	179.9	0	0	0	0	0	109.3	K225 G412	K225-A410 WeakPolarHBondContact CE-O 3.47Å; A410-G412 VanDerWaalsContact C-N 3.3Å; A410-G412 PolarHBondContact O-N 2.82Å
411	F	80.7	Confident	89.4	Confident	45 Å²	45	32.5 Å²	32.5	20%	0.197	18%	0.178	C	C	.	.			trans	53.5	41.2	173	-55.9	-72.4	0	0	0	114.6	W232 H241 P246 L308 S413	W232-F411 HydrophobicContact CZ2-CB 4.39Å; W232-F411 WeakPolarHBondContact CZ2-O 3.3Å; W232-F411 PolarHBondContact NE1-O 3.45Å; W232-F411 VanDerWaalsContact NE1-O 3.09Å; H241-F411 AromaticContact CE1-CD1 3.98Å; H241-F411 AromaticContact CE1-CG 3.98Å; P246-F411 HydrophobicContact CG-CE1 4.45Å; L308-F411 HydrophobicContact CD1-CE2 4.03Å; L308-F411 HydrophobicContact CD2-CE2 3.87Å; L308-F411 HydrophobicContact CD2-CZ 3.6Å; F411-S413 PolarHBondContact O-N 2.86Å
412	G	81.3	Confident	90.1	Very high	6 Å²	6	29.8 Å²	29.8	6%	0.062	16%	0.16	C	C	.	.	S	Bend	trans	-57.2	-36	173.5	0	0	0	0	0	112.4	G228 D229 W232 A410	G228-G412 CarbonylContact C-O 3.3Å; G228-G412 WeakPolarHBondContact CA-O 3.42Å; D229-G412 WeakPolarHBondContact CB-O 3.37Å; D229-G412 PolarHBondContact N-O 2.86Å; W232-G412 PolarHBondContact NE1-O 3Å; A410-G412 VanDerWaalsContact C-N 3.3Å; A410-G412 PolarHBondContact O-N 2.82Å
413	S	85.2	Confident	90.7	Very high	86 Å²	86	26.5 Å²	26.5	60%	0.601	14%	0.143	S	C	*	.	S	Bend	trans	-116.5	148.5	166.9	56.8	0	0	0	0	110.9	F411	F411-S413 PolarHBondContact O-N 2.86Å
414	V	89.6	Confident	91	Very high	12 Å²	12	24.3 Å²	24.3	7%	0.073	14%	0.135	C	C	.	.			trans	-122.7	124	179.3	-179.5	0	0	0	0	109.1	W232 C237 F240 H241	W232-V414 HydrophobicContact CZ2-CG2 3.81Å; C237-V414 HydrophobicContact CB-CG2 4.12Å; F240-V414 HydrophobicContact CB-CG1 4.18Å; H241-V414 HydrophobicContact CB-CG1 4.35Å
415	T	89.7	Confident	91.4	Very high	51 Å²	51	23.7 Å²	23.7	31%	0.313	13%	0.132	S	C	.	.			trans	-66.8	136.6	173.2	44	0	0	0	0	109.7	T244	T244-T415 VanDerWaalsContact CB-O 3.32Å; T244-T415 WeakPolarHBondContact CB-O 3.29Å; T244-T415 WeakPolarHBondContact CB-OG1 3.49Å; T244-T415 WeakPolarHBondContact CG2-O 3.33Å; T244-T415 PolarHBondContact OG1-O 2.98Å
416	K	91.8	Very high	91.6	Very high	125 Å²	125	23.8 Å²	23.8	54%	0.543	13%	0.132	S	C	.	.	S	Bend	trans	-93.1	-17.2	-178	-62.9	179.4	-178.1	177	0	113.3	F240	F240-K416 HydrophobicContact CD1-CB 4Å; F240-K416 HydrophobicContact CD1-CG 4.28Å; F240-K416 HydrophobicContact CD2-CG 4.28Å; F240-K416 HydrophobicContact CE1-CB 4.19Å; F240-K416 HydrophobicContact CE1-CG 4.37Å; F240-K416 HydrophobicContact CE2-CG 4.38Å; F240-K416 HydrophobicContact CG-CB 4.35Å; F240-K416 HydrophobicContact CG-CG 4.23Å; F240-K416 HydrophobicContact CZ-CG 4.43Å
417	E	93.3	Very high	91.7	Very high	89 Å²	89	26.7 Å²	26.7	42%	0.416	15%	0.15	S	C	.	.	S	Bend	trans	-125.9	138.9	175.5	-60.6	-168.5	151.1	0	0	109.2	T419 R520	E417-T419 PolarHBondContact O-N 3.3Å; E417-R520 VanDerWaalsContact CD-CZ 3.42Å; E417-R520 VanDerWaalsContact CD-NE 3.31Å; E417-R520 VanDerWaalsContact CD-NH2 3.32Å; E417-R520 IonicContact OE1-CZ 3.73Å; E417-R520 IonicContact OE1-NE 2.59Å; E417-R520 PolarHBondContact OE1-NE 3.49Å; E417-R520 IonicContact OE1-NH1 2.69Å; E417-R520 IonicContact OE1-NH2 3.16Å; E417-R520 PolarHBondContact OE1-NH2 3.37Å; E417-R520 IonicContact OE2-CZ 2.75Å; E417-R520 IonicContact OE2-NE 3.18Å; E417-R520 PolarHBondContact OE2-NE 2.85Å; E417-R520 IonicContact OE2-NH2 2.92Å; E417-R520 PolarHBondContact OE2-NH2 3.24Å
418	R	95.1	Very high	92	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.011	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	106.4	170.8	-179.3	62.6	174.7	-150.4	3.5	109.3	E243 T244 Q245 P246 E420 P447 W469 R520 Y521	E243-R418 HydrophobicContact CG-CB 4.34Å; T244-R418 HydrophobicContact CG2-CB 4.27Å; T244-R418 PolarHBondContact O-NH1 3.31Å; Q245-R418 PolarHBondContact O-NH1 3.48Å; P246-R418 PolarHBondContact O-NH1 3Å; P246-R418 PolarHBondContact O-NH2 3.47Å; R418-E420 HydrophobicContact CG-CG 4.43Å; R418-E420 IonicContact CZ-OE1 3.69Å; R418-E420 VanDerWaalsContact NE-CD 3.33Å; R418-E420 IonicContact NE-OE1 2.73Å; R418-E420 PolarHBondContact NE-OE1 2.91Å; R418-E420 IonicContact NH2-OE1 3.78Å; R418-E420 PolarHBondContact NH2-OE1 2.68Å; R418-E420 IonicContact NH2-OE2 2.91Å; R418-P447 VanDerWaalsContact NH2-CD 3.31Å; R418-W469 VanDerWaalsContact CZ-CD1 3.41Å; R418-R520 WeakPolarHBondContact O-CA 3.28Å; R418-Y521 PolarHBondContact O-N 2.81Å
419	T	95.6	Very high	92.1	Very high	26 Å²	26	32 Å²	32	16%	0.16	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	151.6	169.5	55.8	0	0	0	0	110.4	E417 A472 H518 Y519 I542	E417-T419 PolarHBondContact O-N 3.3Å; T419-A472 VanDerWaalsContact O-CB 3.3Å; T419-A472 WeakPolarHBondContact O-CB 3.15Å; T419-A472 PolarHBondContact OG1-O 2.82Å; T419-H518 WeakPolarHBondContact CB-NE2 3.39Å; T419-Y519 CarbonylContact C-O 3.53Å; T419-Y519 VanDerWaalsContact CA-O 3.28Å; T419-Y519 WeakPolarHBondContact CA-O 3.49Å; T419-I542 HydrophobicContact CG2-CD1 3.83Å
420	E	96.7	Very high	92.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	139.6	-177.5	-65.2	-67.4	-154.8	0	0	111.4	R418 I422 K446 P447 H518 Y519 Y521	R418-E420 HydrophobicContact CG-CG 4.43Å; R418-E420 IonicContact CZ-OE1 3.69Å; R418-E420 VanDerWaalsContact NE-CD 3.33Å; R418-E420 IonicContact NE-OE1 2.73Å; R418-E420 PolarHBondContact NE-OE1 2.91Å; R418-E420 IonicContact NH2-OE1 3.78Å; R418-E420 PolarHBondContact NH2-OE1 2.68Å; R418-E420 IonicContact NH2-OE2 2.91Å; E420-I422 HydrophobicContact CB-CD1 4.48Å; E420-K446 IonicContact OE1-NZ 3.88Å; E420-K446 WeakPolarHBondContact OE2-CE 3Å; E420-K446 IonicContact OE2-NZ 2.68Å; E420-K446 PolarHBondContact OE2-NZ 2.79Å; E420-P447 HydrophobicContact CG-CB 4.44Å; E420-P447 WeakPolarHBondContact OE1-CB 3.49Å; E420-P447 WeakPolarHBondContact OE1-CD 3.38Å; E420-P447 WeakPolarHBondContact OE1-CG 3.42Å; E420-H518 PolarHBondContact O-CD2 3.21Å; E420-Y519 PolarHBondContact N-O 3.41Å; E420-Y519 PolarHBondContact O-N 3.3Å; E420-Y521 HydrophobicContact CB-CD2 3.69Å; E420-Y521 HydrophobicContact CB-CE2 3.66Å; E420-Y521 HydrophobicContact CG-CD2 3.5Å; E420-Y521 HydrophobicContact CG-CE2 3.85Å; E420-Y521 HydrophobicContact CG-CG 4.08Å
421	V	97	Very high	93	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.7	168.5	179.7	0	0	0	0	108.5	L423 M468 A472 E517 Y545	V421-L423 HydrophobicContact CG1-CD2 4.34Å; V421-M468 HydrophobicContact CB-CE 3.82Å; V421-M468 HydrophobicContact CG1-CE 3.97Å; V421-A472 HydrophobicContact CG2-CB 4.22Å; V421-E517 WeakPolarHBondContact CA-O 3.36Å; V421-Y545 HydrophobicContact CB-CD1 4.36Å; V421-Y545 HydrophobicContact CB-CG 4.45Å; V421-Y545 HydrophobicContact CG1-CD1 3.6Å; V421-Y545 HydrophobicContact CG1-CE1 4.16Å; V421-Y545 HydrophobicContact CG1-CG 3.95Å; V421-Y545 HydrophobicContact CG2-CD1 3.76Å; V421-Y545 HydrophobicContact CG2-CD2 3.56Å; V421-Y545 HydrophobicContact CG2-CE1 3.95Å; V421-Y545 HydrophobicContact CG2-CE2 3.73Å; V421-Y545 HydrophobicContact CG2-CG 3.59Å
422	I	97.5	Very high	93.5	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.6	175.2	-55.2	-58	0	0	0	107.8	E420 Q424 D440 E517 Y519 Y521	E420-I422 HydrophobicContact CB-CD1 4.48Å; I422-Q424 HydrophobicContact CG2-CG 4.16Å; I422-D440 HydrophobicContact CG2-CB 4.04Å; I422-E517 PolarHBondContact N-O 2.81Å; I422-E517 PolarHBondContact O-N 3.31Å; I422-Y519 HydrophobicContact CB-CD2 4.05Å; I422-Y519 HydrophobicContact CB-CE2 4.06Å; I422-Y519 HydrophobicContact CG1-CD2 3.6Å; I422-Y519 HydrophobicContact CG1-CE2 4.02Å; I422-Y519 HydrophobicContact CG1-CG 4.41Å; I422-Y521 HydrophobicContact CD1-CE2 4.47Å
423	L	98.1	Very high	94	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	126.7	174.8	-58.8	-178.5	0	0	0	108.2	V421 Y441 F443 I482 L485 L489 F546	V421-L423 HydrophobicContact CG1-CD2 4.34Å; L423-Y441 HydrophobicContact CB-CD2 4.31Å; L423-Y441 PolarHBondContact O-N 3.23Å; L423-F443 HydrophobicContact CD1-CZ 3.99Å; L423-F443 HydrophobicContact CG-CZ 4.37Å; L423-I482 HydrophobicContact CD2-CG2 4.47Å; L423-L485 HydrophobicContact CD1-CD2 3.69Å; L423-L485 HydrophobicContact CD1-CG 4.14Å; L423-L489 HydrophobicContact CD1-CD1 3.78Å; L423-F546 HydrophobicContact CD2-CE1 3.76Å; L423-F546 HydrophobicContact CD2-CZ 3.73Å
424	Q	98.1	Very high	94.2	Very high	7 Å²	7	41.1 Å²	41.1	3%	0.033	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.4	-179.5	-57.1	-171.8	-39.6	0	0	110.2	I422 W438 E439 D440 I514 R515	I422-Q424 HydrophobicContact CG2-CG 4.16Å; Q424-W438 HydrophobicContact CB-CB 4.22Å; Q424-W438 HydrophobicContact CB-CE3 3.85Å; Q424-W438 WeakPolarHBondContact O-CZ3 3.39Å; Q424-E439 CarbonylContact C-O 3.59Å; Q424-E439 VanDerWaalsContact CA-O 3.26Å; Q424-E439 WeakPolarHBondContact CA-O 3.35Å; Q424-D440 VanDerWaalsContact CG-OD1 3.32Å; Q424-D440 WeakPolarHBondContact CG-OD1 3.5Å; Q424-D440 PolarHBondContact NE2-OD1 2.68Å; Q424-I514 CarbonylContact O-C 3.56Å; Q424-I514 VanDerWaalsContact O-CA 3.26Å; Q424-I514 WeakPolarHBondContact O-CA 3.35Å; Q424-R515 HydrophobicContact CB-CG 4.1Å; Q424-R515 PolarHBondContact N-O 2.64Å; Q424-R515 PolarHBondContact O-N 2.77Å; Q424-R515 VanDerWaalsContact OE1-CZ 3.25Å
425	G	97.8	Very high	94.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	155.6	172.7	0	0	0	0	0	112.4	W438 E439 F505 W513	G425-W438 WeakPolarHBondContact O-CA 3.13Å; G425-E439 PolarHBondContact N-O 2.77Å; G425-E439 PolarHBondContact O-N 3.18Å; G425-F505 VanDerWaalsContact C-CZ 3.45Å; G425-F505 WeakPolarHBondContact O-CZ 3.32Å; G425-W513 CarbonylContact C-O 3.39Å; G425-W513 WeakPolarHBondContact CA-O 3.3Å
426	T	97.1	Very high	94.6	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	145.6	167.4	-173.3	0	0	0	0	111.5	S428 V437 W438 P511 R512 W513	T426-S428 VanDerWaalsContact C-N 3.33Å; T426-S428 WeakPolarHBondContact OG1-CB 3.36Å; T426-S428 PolarHBondContact OG1-N 3.42Å; T426-S428 VanDerWaalsContact OG1-N 3.14Å; T426-V437 WeakPolarHBondContact CB-O 3.5Å; T426-V437 PolarHBondContact OG1-O 3.33Å; T426-W438 HydrophobicContact CG2-CD2 3.89Å; T426-W438 HydrophobicContact CG2-CE3 3.85Å; T426-W438 HydrophobicContact CG2-CH2 3.58Å; T426-W438 HydrophobicContact CG2-CZ2 3.58Å; T426-W438 HydrophobicContact CG2-CZ3 3.7Å; T426-P511 CarbonylContact O-C 3.5Å; T426-P511 WeakPolarHBondContact O-CA 3.45Å; T426-P511 WeakPolarHBondContact O-CB 3.35Å; T426-R512 PolarHBondContact O-N 3.44Å; T426-W513 HydrophobicContact CG2-CB 3.83Å; T426-W513 HydrophobicContact CG2-CG 4.32Å; T426-W513 PolarHBondContact N-O 2.88Å; T426-W513 PolarHBondContact O-N 3.39Å
427	V	95.7	Very high	94.7	Very high	61 Å²	61	44 Å²	44	37%	0.37	27%	0.268	S	S	.	.			trans	-88	-4.1	170.6	-65.8	0	0	0	0	112.7	F505 R512	V427-F505 HydrophobicContact CG1-CD1 3.95Å; V427-F505 HydrophobicContact CG1-CE1 3.79Å; V427-R512 WeakPolarHBondContact O-CD 3.26Å
428	S	94.8	Very high	94.9	Very high	19 Å²	19	41.4 Å²	41.4	13%	0.133	26%	0.255	C	S	.	.			trans	-54.4	138.2	-179.6	-179.8	0	0	0	0	111.2	T426 N430 W513	T426-S428 VanDerWaalsContact C-N 3.33Å; T426-S428 WeakPolarHBondContact OG1-CB 3.36Å; T426-S428 PolarHBondContact OG1-N 3.42Å; T426-S428 VanDerWaalsContact OG1-N 3.14Å; S428-N430 PolarHBondContact O-N 3.15Å; S428-N430 PolarHBondContact OG-N 3.16Å; S428-N430 PolarHBondContact OG-O 3.25Å; S428-W513 PolarHBondContact O-NE1 3.16Å
429	P	92.5	Very high	95	Very high	102 Å²	102	43.7 Å²	43.7	66%	0.662	27%	0.266	S	S	*	.	S	Bend	trans	-63	-31.8	174.5	25.7	-33.7	0	0	0	112	W513	P429-W513 PolarHBondContact O-NE1 2.96Å
430	N	92.6	Very high	95.1	Very high	86 Å²	86	44 Å²	44	46%	0.46	27%	0.266	S	S	.	.			trans	-121.4	115.3	179.6	-179.8	2.8	0	0	0	110.4	S428 S432 A433	S428-N430 PolarHBondContact O-N 3.15Å; S428-N430 PolarHBondContact OG-N 3.16Å; S428-N430 PolarHBondContact OG-O 3.25Å; N430-S432 PolarHBondContact O-N 2.92Å; N430-S432 PolarHBondContact OD1-N 2.99Å; N430-A433 HydrophobicContact CB-CB 4.15Å; N430-A433 WeakPolarHBondContact O-CB 3.27Å; N430-A433 PolarHBondContact O-N 3.04Å
431	A	92.9	Very high	95.2	Very high	10 Å²	10	44 Å²	44	8%	0.083	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.7	179	0	0	0	0	0	114.1	W438 W513 P548	A431-W438 HydrophobicContact CB-CH2 4.33Å; A431-W438 HydrophobicContact CB-CZ2 3.92Å; A431-W513 HydrophobicContact CB-CB 4.3Å; A431-W513 HydrophobicContact CB-CD2 3.55Å; A431-W513 HydrophobicContact CB-CE3 3.79Å; A431-W513 HydrophobicContact CB-CG 3.78Å; A431-W513 HydrophobicContact CB-CZ2 4.35Å; A431-W513 HydrophobicContact CB-CZ3 4.29Å; A431-P548 HydrophobicContact CB-CB 3.71Å; A431-P548 HydrophobicContact CB-CG 4.11Å
432	S	91.4	Very high	95.2	Very high	106 Å²	106	45 Å²	45	74%	0.741	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	1.6	-178.8	-57.2	0	0	0	0	113.1	N430	N430-S432 PolarHBondContact O-N 2.92Å; N430-S432 PolarHBondContact OD1-N 2.99Å
433	A	92.1	Very high	95.1	Very high	20 Å²	20	45.1 Å²	45.1	17%	0.165	27%	0.271	C	S	.	.			trans	-66.2	134.8	177.7	0	0	0	0	0	110.2	N430 D435 A436	N430-A433 HydrophobicContact CB-CB 4.15Å; N430-A433 WeakPolarHBondContact O-CB 3.27Å; N430-A433 PolarHBondContact O-N 3.04Å; A433-D435 WeakPolarHBondContact CB-OD1 3.28Å; A433-D435 PolarHBondContact O-N 3.46Å; A433-A436 HydrophobicContact CB-CB 4.32Å; A433-A436 WeakPolarHBondContact O-CB 3.44Å; A433-A436 PolarHBondContact O-N 3.34Å
434	P	89.4	Confident	95	Very high	142 Å²	142	47.7 Å²	47.7	92%	0.922	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-22.1	-175.9	23.2	-30.6	0	0	0	113.5
435	D	92.2	Very high	94.9	Very high	129 Å²	129	47.7 Å²	47.7	69%	0.69	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	3.8	175.2	64.1	-36.3	0	0	0	113.4	A433 V437	A433-D435 WeakPolarHBondContact CB-OD1 3.28Å; A433-D435 PolarHBondContact O-N 3.46Å; D435-V437 PolarHBondContact O-N 3.34Å; D435-V437 VanDerWaalsContact O-N 3.1Å
436	A	94.1	Very high	94.7	Very high	17 Å²	17	47.8 Å²	47.8	14%	0.14	28%	0.283	C	S	.	.			trans	-63.7	114.1	176.7	0	0	0	0	0	110.8	A433 W438	A433-A436 HydrophobicContact CB-CB 4.32Å; A433-A436 WeakPolarHBondContact O-CB 3.44Å; A433-A436 PolarHBondContact O-N 3.34Å; A436-W438 VanDerWaalsContact O-CD1 3.31Å
437	V	95.3	Very high	94.5	Very high	102 Å²	102	48 Å²	48	62%	0.618	29%	0.285	S	S	*	.			trans	-80.9	121.4	174.9	-177.6	0	0	0	0	109.3	T426 D435 E439	T426-V437 WeakPolarHBondContact CB-O 3.5Å; T426-V437 PolarHBondContact OG1-O 3.33Å; D435-V437 PolarHBondContact O-N 3.34Å; D435-V437 VanDerWaalsContact O-N 3.1Å; V437-E439 HydrophobicContact CG1-CG 4.29Å
438	W	97.1	Very high	94.5	Very high	35 Å²	35	45.2 Å²	45.2	13%	0.133	27%	0.269	C	S	.	.			trans	-106	125.5	175.7	-71.2	88.3	0	0	0	109.5	Q424 G425 T426 A431 A436 W513 R515 P548	Q424-W438 HydrophobicContact CB-CB 4.22Å; Q424-W438 HydrophobicContact CB-CE3 3.85Å; Q424-W438 WeakPolarHBondContact O-CZ3 3.39Å; G425-W438 WeakPolarHBondContact O-CA 3.13Å; T426-W438 HydrophobicContact CG2-CD2 3.89Å; T426-W438 HydrophobicContact CG2-CE3 3.85Å; T426-W438 HydrophobicContact CG2-CH2 3.58Å; T426-W438 HydrophobicContact CG2-CZ2 3.58Å; T426-W438 HydrophobicContact CG2-CZ3 3.7Å; A431-W438 HydrophobicContact CB-CH2 4.33Å; A431-W438 HydrophobicContact CB-CZ2 3.92Å; A436-W438 VanDerWaalsContact O-CD1 3.31Å; W438-W513 HydrophobicContact CH2-CB 3.68Å; W438-W513 HydrophobicContact CZ3-CB 4.21Å; W438-R515 HydrophobicContact CD2-CG 4.32Å; W438-R515 HydrophobicContact CE3-CG 3.77Å; W438-R515 VanDerWaalsContact CG-CZ 3.49Å; W438-R515 VanDerWaalsContact CG-NH2 3.31Å; W438-R515 HydrophobicContact CH2-CB 4.1Å; W438-R515 HydrophobicContact CH2-CG 3.92Å; W438-R515 HydrophobicContact CZ2-CG 4.46Å; W438-R515 HydrophobicContact CZ3-CB 4.01Å; W438-R515 HydrophobicContact CZ3-CG 3.56Å; W438-P548 HydrophobicContact CH2-CB 4Å; W438-P548 HydrophobicContact CH2-CG 4.17Å; W438-P548 HydrophobicContact CZ2-CB 4.38Å; W438-P548 HydrophobicContact CZ2-CG 4.2Å
439	E	97.3	Very high	94.5	Very high	51 Å²	51	47.2 Å²	47.2	24%	0.238	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.1	-177.1	-57.2	-174.5	-124.9	0	0	110.2	Q424 G425 V437 P504 F505 R508	Q424-E439 CarbonylContact C-O 3.59Å; Q424-E439 VanDerWaalsContact CA-O 3.26Å; Q424-E439 WeakPolarHBondContact CA-O 3.35Å; G425-E439 PolarHBondContact N-O 2.77Å; G425-E439 PolarHBondContact O-N 3.18Å; V437-E439 HydrophobicContact CG1-CG 4.29Å; E439-P504 HydrophobicContact CB-CB 3.64Å; E439-P504 HydrophobicContact CB-CG 3.91Å; E439-F505 HydrophobicContact CB-CZ 4.12Å; E439-F505 HydrophobicContact CG-CZ 4.44Å; E439-R508 VanDerWaalsContact CD-NH2 3.3Å; E439-R508 IonicContact OE1-CZ 3.75Å; E439-R508 IonicContact OE1-NH1 3.11Å; E439-R508 PolarHBondContact OE1-NH1 2.94Å; E439-R508 IonicContact OE1-NH2 2.98Å; E439-R508 PolarHBondContact OE1-NH2 3.31Å; E439-R508 VanDerWaalsContact OE1-NH2 3.1Å; E439-R508 IonicContact OE2-CZ 3.49Å; E439-R508 IonicContact OE2-NH1 3.57Å; E439-R508 IonicContact OE2-NH2 2.78Å; E439-R508 PolarHBondContact OE2-NH2 3.07Å
440	D	97.6	Very high	94.8	Very high	31 Å²	31	42.7 Å²	42.7	17%	0.166	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	132.7	-175.6	-67.2	-9.4	0	0	0	110.8	I422 Q424 P504 R539	I422-D440 HydrophobicContact CG2-CB 4.04Å; Q424-D440 VanDerWaalsContact CG-OD1 3.32Å; Q424-D440 WeakPolarHBondContact CG-OD1 3.5Å; Q424-D440 PolarHBondContact NE2-OD1 2.68Å; D440-P504 WeakPolarHBondContact O-CG 3.41Å; D440-R539 IonicContact OD2-CZ 3.61Å; D440-R539 VanDerWaalsContact OD2-CZ 3.31Å; D440-R539 IonicContact OD2-NH1 3.17Å; D440-R539 PolarHBondContact OD2-NH1 3.05Å; D440-R539 IonicContact OD2-NH2 3.05Å; D440-R539 PolarHBondContact OD2-NH2 2.95Å
441	Y	97.9	Very high	95	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.008	25%	0.252	C	S	.	.			trans	-81.7	132.7	161.3	-75	-85.9	0	0	0	109.6	L423 L489 L497 L500 N503 P504 F505 P511 I514	L423-Y441 HydrophobicContact CB-CD2 4.31Å; L423-Y441 PolarHBondContact O-N 3.23Å; Y441-L489 HydrophobicContact CD1-CD1 4.44Å; Y441-L489 HydrophobicContact CD1-CD2 4.29Å; Y441-L489 HydrophobicContact CD2-CD1 4.17Å; Y441-L489 HydrophobicContact CE1-CD1 4.44Å; Y441-L489 HydrophobicContact CE1-CD2 3.96Å; Y441-L489 HydrophobicContact CE2-CB 4.45Å; Y441-L489 HydrophobicContact CE2-CD1 4.18Å; Y441-L489 HydrophobicContact CG-CD1 4.29Å; Y441-L497 HydrophobicContact CE1-CD2 3.9Å; Y441-L500 HydrophobicContact CD1-CD1 3.54Å; Y441-L500 HydrophobicContact CE1-CD1 4.31Å; Y441-L500 HydrophobicContact CG-CD1 4.12Å; Y441-N503 HydrophobicContact CE1-CB 4.47Å; Y441-N503 VanDerWaalsContact CE1-OD1 3.31Å; Y441-N503 WeakPolarHBondContact CE1-OD1 3.49Å; Y441-P504 HydrophobicContact CD1-CG 4.37Å; Y441-P504 HydrophobicContact CE1-CG 4.42Å; Y441-P504 HydrophobicContact CG-CG 4.46Å; Y441-F505 HydrophobicContact CE2-CD2 4.37Å; Y441-F505 HydrophobicContact CE2-CE2 4.19Å; Y441-F505 AromaticContact CZ-CD2 3.88Å; Y441-F505 WeakPolarHBondContact OH-CD2 3.33Å; Y441-P511 WeakPolarHBondContact OH-CG 3.38Å; Y441-I514 HydrophobicContact CE2-CD1 3.95Å; Y441-I514 HydrophobicContact CE2-CG1 4.5Å
442	E	97.2	Very high	95.1	Very high	21 Å²	21	48 Å²	48	10%	0.098	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-106.9	132	-178.7	-63.3	-67.8	149	0	0	111.8	G448 D449 A501 V502	E442-G448 WeakPolarHBondContact OE2-CA 3.25Å; E442-D449 PolarHBondContact OE1-N 2.95Å; E442-D449 PolarHBondContact OE2-N 3.26Å; E442-A501 PolarHBondContact O-N 2.89Å; E442-V502 HydrophobicContact CB-CB 3.83Å; E442-V502 HydrophobicContact CB-CG2 3.94Å; E442-V502 HydrophobicContact CG-CB 4.19Å; E442-V502 HydrophobicContact CG-CG2 4.31Å; E442-V502 PolarHBondContact N-O 3.31Å; E442-V502 PolarHBondContact O-N 3.12Å
443	F	96.5	Very high	95.2	Very high	3 Å²	3	47.7 Å²	47.7	1%	0.013	25%	0.247	C	C	.	.			trans	-82.5	170.5	176.6	-68.6	-89.5	0	0	0	111.8	L423 C445 K446 R452 L464 D465 M468 L500 A501	L423-F443 HydrophobicContact CD1-CZ 3.99Å; L423-F443 HydrophobicContact CG-CZ 4.37Å; F443-C445 PolarHBondContact O-N 3.12Å; F443-K446 HydrophobicContact CB-CB 4.09Å; F443-K446 HydrophobicContact CB-CG 4.47Å; F443-K446 HydrophobicContact CD2-CD 4.27Å; F443-K446 HydrophobicContact CG-CD 4.42Å; F443-R452 PolarHBondContact O-NH1 2.91Å; F443-L464 HydrophobicContact CD1-CD2 4.14Å; F443-L464 HydrophobicContact CD1-CG 4.18Å; F443-L464 HydrophobicContact CE1-CD2 3.78Å; F443-L464 HydrophobicContact CE1-CG 3.87Å; F443-D465 WeakPolarHBondContact CB-OD1 3.49Å; F443-M468 HydrophobicContact CD1-CG 4.19Å; F443-M468 HydrophobicContact CE1-CG 3.53Å; F443-M468 HydrophobicContact CE1-SD 4.26Å; F443-M468 HydrophobicContact CE2-CE 4.04Å; F443-M468 HydrophobicContact CE2-CG 4.3Å; F443-M468 HydrophobicContact CZ-CE 3.76Å; F443-M468 HydrophobicContact CZ-CG 3.6Å; F443-M468 HydrophobicContact CZ-SD 3.87Å; F443-L500 HydrophobicContact CD1-CD2 3.51Å; F443-L500 HydrophobicContact CE1-CD2 3.46Å; F443-L500 VanDerWaalsContact CE1-CD2 3.46Å; F443-L500 HydrophobicContact CG-CD2 4.11Å; F443-L500 HydrophobicContact CZ-CD2 4.03Å; F443-A501 WeakPolarHBondContact O-CB 3.39Å
444	K	95.6	Very high	95.4	Very high	54 Å²	54	47.1 Å²	47.1	24%	0.235	24%	0.242	C	C	.	.	S	Bend	trans	-73.2	-28.5	-170.6	-73.8	-174.8	-178.5	175	0	115.1	R452 Y462 D465 A498 L499 L500 A501	K444-R452 PolarHBondContact O-NH2 2.73Å; K444-Y462 HydrophobicContact CB-CD1 4.05Å; K444-Y462 HydrophobicContact CB-CD2 3.84Å; K444-Y462 HydrophobicContact CB-CE1 4.09Å; K444-Y462 HydrophobicContact CB-CE2 3.85Å; K444-Y462 HydrophobicContact CB-CG 3.94Å; K444-Y462 HydrophobicContact CD-CD1 3.58Å; K444-Y462 HydrophobicContact CD-CE1 3.28Å; K444-Y462 HydrophobicContact CD-CG 4.34Å; K444-Y462 HydrophobicContact CG-CD1 4.43Å; K444-Y462 HydrophobicContact CG-CE1 4.3Å; K444-D465 PolarHBondContact N-OD1 3.39Å; K444-A498 VanDerWaalsContact CE-O 3.3Å; K444-A498 WeakPolarHBondContact CE-O 3.16Å; K444-A498 PolarHBondContact NZ-O 3.43Å; K444-L499 WeakPolarHBondContact CE-O 3.31Å; K444-L500 WeakPolarHBondContact CE-O 3.41Å; K444-A501 HydrophobicContact CG-CB 4.28Å
445	C	95	Very high	95.6	Very high	8 Å²	8	41.5 Å²	41.5	5%	0.054	21%	0.206	C	C	.	.	S	Bend	trans	-151.6	-22.8	-177.2	-77.6	0	0	0	0	113.8	V247 F443 C455 I457 Y462 D465	V247-C445 HydrophobicContact CG1-CB 3.69Å; F443-C445 PolarHBondContact O-N 3.12Å; C445-C455 HydrophobicContact CB-CB 3.92Å; C445-C455 WeakPolarHBondContact SG-CB 3.33Å; C445-I457 HydrophobicContact CB-CD1 4.2Å; C445-I457 WeakPolarHBondContact SG-CG2 3.47Å; C445-Y462 HydrophobicContact CB-CD2 4.07Å; C445-Y462 VanDerWaalsContact SG-CD2 3.55Å; C445-Y462 WeakPolarHBondContact SG-CE2 3.2Å; C445-D465 PolarHBondContact N-OD1 2.92Å
446	K	93.7	Very high	95.6	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	21%	0.205	C	C	.	.	S	Bend	trans	-57.6	143.6	174.5	151	172	157	40.3	0	110.3	E420 F443 G448 D465 M468	E420-K446 IonicContact OE1-NZ 3.88Å; E420-K446 WeakPolarHBondContact OE2-CE 3Å; E420-K446 IonicContact OE2-NZ 2.68Å; E420-K446 PolarHBondContact OE2-NZ 2.79Å; F443-K446 HydrophobicContact CB-CB 4.09Å; F443-K446 HydrophobicContact CB-CG 4.47Å; F443-K446 HydrophobicContact CD2-CD 4.27Å; F443-K446 HydrophobicContact CG-CD 4.42Å; K446-G448 PolarHBondContact O-N 2.8Å; K446-D465 HydrophobicContact CB-CB 3.93Å; K446-D465 WeakPolarHBondContact CB-OD1 3.42Å; K446-D465 PolarHBondContact N-OD1 3.3Å; K446-M468 HydrophobicContact CD-CB 3.57Å
447	P	94.7	Very high	95.6	Very high	7 Å²	7	41.9 Å²	41.9	5%	0.045	21%	0.205	C	C	.	.	S	Bend	trans	-52.7	131.3	171.8	-25.8	33.7	0	0	0	112.8	P248 R418 E420 Y521 W537	P248-P447 HydrophobicContact CG-CG 4.34Å; R418-P447 VanDerWaalsContact NH2-CD 3.31Å; E420-P447 HydrophobicContact CG-CB 4.44Å; E420-P447 WeakPolarHBondContact OE1-CB 3.49Å; E420-P447 WeakPolarHBondContact OE1-CD 3.38Å; E420-P447 WeakPolarHBondContact OE1-CG 3.42Å; P447-Y521 HydrophobicContact CB-CD1 4.25Å; P447-Y521 HydrophobicContact CB-CE1 4.45Å; P447-W537 HydrophobicContact CB-CD2 4.49Å; P447-W537 HydrophobicContact CB-CH2 4.39Å; P447-W537 HydrophobicContact CB-CZ2 3.97Å; P447-W537 HydrophobicContact CG-CH2 3.88Å; P447-W537 HydrophobicContact CG-CZ2 3.55Å
448	G	94.6	Very high	95.5	Very high	4 Å²	4	38.1 Å²	38.1	4%	0.041	18%	0.183	C	C	.	.			trans	-151.3	-99.9	-178.3	0	0	0	0	0	109.3	E442 K446 P450 Y521	E442-G448 WeakPolarHBondContact OE2-CA 3.25Å; K446-G448 PolarHBondContact O-N 2.8Å; G448-P450 WeakPolarHBondContact O-CD 3.22Å; G448-Y521 WeakPolarHBondContact O-CE1 3.46Å; G448-Y521 VanDerWaalsContact O-CZ 3.3Å; G448-Y521 PolarHBondContact O-OH 3Å
449	D	95.9	Very high	95.4	Very high	60 Å²	60	37.7 Å²	37.7	32%	0.321	19%	0.185	S	C	.	.	S	Bend	trans	-52.6	121.8	173.5	176.6	11.3	0	0	0	112.6	E442 W451 R452	E442-D449 PolarHBondContact OE1-N 2.95Å; E442-D449 PolarHBondContact OE2-N 3.26Å; D449-W451 PolarHBondContact O-N 2.97Å; D449-W451 VanDerWaalsContact OD1-CE3 3.29Å; D449-W451 PolarHBondContact OD1-N 3.45Å; D449-R452 HydrophobicContact CB-CB 4.01Å; D449-R452 VanDerWaalsContact O-CB 3.32Å; D449-R452 WeakPolarHBondContact O-CB 3.38Å; D449-R452 PolarHBondContact O-N 2.68Å
450	P	97.1	Very high	95.3	Very high	8 Å²	8	37.2 Å²	37.2	5%	0.052	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.2	178.7	-25	34.4	0	0	0	116.5	G448 R452 K535 W536 W537 R539	G448-P450 WeakPolarHBondContact O-CD 3.22Å; P450-R452 VanDerWaalsContact C-N 3.35Å; P450-K535 WeakPolarHBondContact O-CA 3.43Å; P450-W536 PolarHBondContact O-N 3.04Å; P450-W537 HydrophobicContact CB-CB 4.4Å; P450-W537 WeakPolarHBondContact CB-O 3.44Å; P450-W537 PolarHBondContact O-N 3.39Å; P450-W537 VanDerWaalsContact O-N 3.09Å; P450-R539 HydrophobicContact CG-CG 3.83Å
451	W	96.6	Very high	95.2	Very high	136 Å²	136	35.8 Å²	35.8	52%	0.515	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-12	178.1	-73.6	-101.3	0	0	0	112.7	D449 Q453 K535	D449-W451 PolarHBondContact O-N 2.97Å; D449-W451 VanDerWaalsContact OD1-CE3 3.29Å; D449-W451 PolarHBondContact OD1-N 3.45Å; W451-Q453 PolarHBondContact O-N 3.27Å; W451-K535 HydrophobicContact CD2-CG 3.99Å; W451-K535 VanDerWaalsContact CE2-CE 3.46Å; W451-K535 HydrophobicContact CG-CG 4.27Å; W451-K535 HydrophobicContact CZ2-CD 4.25Å; W451-K535 HydrophobicContact CZ2-CG 4.22Å
452	R	95.3	Very high	95.1	Very high	71 Å²	71	38.3 Å²	38.3	27%	0.268	18%	0.183	S	C	.	.	S	Bend	trans	-78.1	126.6	-178.3	-172.4	178.7	177.6	-173.6	3.6	111.6	F443 K444 D449 P450 C455	F443-R452 PolarHBondContact O-NH1 2.91Å; K444-R452 PolarHBondContact O-NH2 2.73Å; D449-R452 HydrophobicContact CB-CB 4.01Å; D449-R452 VanDerWaalsContact O-CB 3.32Å; D449-R452 WeakPolarHBondContact O-CB 3.38Å; D449-R452 PolarHBondContact O-N 2.68Å; P450-R452 VanDerWaalsContact C-N 3.35Å; R452-C455 PolarHBondContact NH2-SG 3.14Å; R452-C455 VanDerWaalsContact NH2-SG 3.38Å
453	Q	94.6	Very high	95	Very high	99 Å²	99	37.4 Å²	37.4	46%	0.463	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-64.7	137.8	171.3	-175.5	175.1	-1.2	0	0	111	P250 W451 W536	P250-Q453 HydrophobicContact CG-CG 4.18Å; W451-Q453 PolarHBondContact O-N 3.27Å; Q453-W536 HydrophobicContact CB-CD2 4.15Å; Q453-W536 HydrophobicContact CB-CG 4.41Å; Q453-W536 HydrophobicContact CB-CZ2 4Å; Q453-W536 HydrophobicContact CG-CD2 4.05Å; Q453-W536 HydrophobicContact CG-CE3 4.31Å; Q453-W536 HydrophobicContact CG-CH2 3.8Å; Q453-W536 HydrophobicContact CG-CZ2 3.49Å; Q453-W536 VanDerWaalsContact CG-CZ2 3.49Å; Q453-W536 HydrophobicContact CG-CZ3 4.2Å
454	P	95.3	Very high	95	Very high	9 Å²	9	37.3 Å²	37.3	6%	0.058	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-54.7	144.4	170.9	-24.7	33.9	0	0	0	112.1	P248 P250 F523 W536 W537	P248-P454 WeakPolarHBondContact O-CB 3.14Å; P250-P454 VanDerWaalsContact CD-O 3.3Å; P250-P454 WeakPolarHBondContact CD-O 3.3Å; P250-P454 WeakPolarHBondContact CG-O 3.43Å; P454-F523 HydrophobicContact CG-CE1 4.34Å; P454-W536 HydrophobicContact CG-CE3 4.42Å; P454-W537 HydrophobicContact CG-CZ2 4.28Å
455	C	93.9	Very high	95	Very high	24 Å²	24	34.8 Å²	34.8	16%	0.162	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-87.6	158.4	-171.6	-63.9	0	0	0	0	113.1	N249 N307 C445 R452 I457	N249-C455 WeakPolarHBondContact CA-O 3.27Å; N249-C455 WeakPolarHBondContact CB-O 3.37Å; N307-C455 PolarHBondContact ND2-O 3.14Å; C445-C455 HydrophobicContact CB-CB 3.92Å; C445-C455 WeakPolarHBondContact SG-CB 3.33Å; R452-C455 PolarHBondContact NH2-SG 3.14Å; R452-C455 VanDerWaalsContact NH2-SG 3.38Å; C455-I457 HydrophobicContact CB-CG2 4.06Å
456	L	93.5	Very high	95	Very high	130 Å²	130	35 Å²	35	68%	0.681	17%	0.167	S	C	*	.			trans	-112.3	111.5	167.4	-177.6	71	0	0	0	108.6
457	I	93.8	Very high	95	Very high	24 Å²	24	35.3 Å²	35.3	12%	0.123	17%	0.169	C	C	.	.			trans	-133.6	-12.8	-171.3	60.6	167.4	0	0	0	115.8	V247 N307 C445 C455 Y460 Y462	V247-I457 HydrophobicContact CG1-CD1 4.36Å; N307-I457 HydrophobicContact CB-CD1 4.31Å; N307-I457 HydrophobicContact CB-CG1 3.8Å; N307-I457 WeakPolarHBondContact OD1-CG1 3.27Å; N307-I457 PolarHBondContact OD1-N 3.26Å; C445-I457 HydrophobicContact CB-CD1 4.2Å; C445-I457 WeakPolarHBondContact SG-CG2 3.47Å; C455-I457 HydrophobicContact CB-CG2 4.06Å; I457-Y460 WeakPolarHBondContact O-CA 3Å; I457-Y460 VanDerWaalsContact O-CB 3.26Å; I457-Y460 WeakPolarHBondContact O-CB 3.42Å; I457-Y460 PolarHBondContact O-N 2.98Å; I457-Y462 HydrophobicContact CD1-CD2 3.84Å; I457-Y462 HydrophobicContact CD1-CE2 4.34Å; I457-Y462 HydrophobicContact CG2-CE2 4.03Å
458	S	91.6	Very high	95.1	Very high	23 Å²	23	35 Å²	35	16%	0.161	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	133.3	179.9	-168.1	0	0	0	0	110.7	N307 S309 W313	N307-S458 PolarHBondContact OD1-N 2.9Å; S309-S458 PolarHBondContact O-OG 2.94Å; W313-S458 PolarHBondContact NE1-OG 3.37Å
459	P	95.6	Very high	95	Very high	26 Å²	26	36.1 Å²	36.1	17%	0.169	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.9	5.5	11.7	36.8	-38	0	0	0	116	F62 V66 S309 F310 W313	F62-P459 HydrophobicContact CE1-CG 4.22Å; F62-P459 HydrophobicContact CZ-CG 3.96Å; V66-P459 HydrophobicContact CG1-CB 4.18Å; V66-P459 HydrophobicContact CG1-CG 4.11Å; V66-P459 WeakPolarHBondContact CG1-O 3.43Å; V66-P459 HydrophobicContact CG2-CG 3.85Å; S309-P459 CarbonylContact C-O 3.36Å; F310-P459 HydrophobicContact CB-CB 4.09Å; F310-P459 PolarHBondContact N-O 3.2Å; W313-P459 HydrophobicContact CD2-CB 4.35Å; W313-P459 HydrophobicContact CG-CB 4.08Å
460	Y	96.2	Very high	94.8	Very high	41 Å²	41	36.1 Å²	36.1	16%	0.161	17%	0.167	C	C	.	.			trans	-68.5	156.1	-178.5	-161.6	-94.5	0	0	0	112.3	L69 V70 N73 Q74 I457 Y462	L69-Y460 HydrophobicContact CD2-CE2 4.38Å; L69-Y460 HydrophobicContact CG-CE2 4.23Å; V70-Y460 HydrophobicContact CB-CE2 4.35Å; V70-Y460 HydrophobicContact CG2-CD1 4.38Å; V70-Y460 HydrophobicContact CG2-CD2 3.62Å; V70-Y460 HydrophobicContact CG2-CE1 4.26Å; V70-Y460 HydrophobicContact CG2-CE2 3.5Å; V70-Y460 VanDerWaalsContact CG2-CE2 3.5Å; V70-Y460 HydrophobicContact CG2-CG 4.08Å; N73-Y460 VanDerWaalsContact CB-OH 3.26Å; N73-Y460 WeakPolarHBondContact CB-OH 3.17Å; N73-Y460 PolarHBondContact ND2-OH 3.3Å; N73-Y460 VanDerWaalsContact ND2-OH 3.15Å; Q74-Y460 PolarHBondContact NE2-OH 3.1Å; I457-Y460 WeakPolarHBondContact O-CA 3Å; I457-Y460 VanDerWaalsContact O-CB 3.26Å; I457-Y460 WeakPolarHBondContact O-CB 3.42Å; I457-Y460 PolarHBondContact O-N 2.98Å; Y460-Y462 HydrophobicContact CD1-CD1 4.17Å; Y460-Y462 AromaticContact CD1-CE1 3.93Å; Y460-Y462 HydrophobicContact CD1-CE1 3.93Å; Y460-Y462 HydrophobicContact CD1-CE2 4.34Å; Y460-Y462 HydrophobicContact CD1-CG 4.46Å; Y460-Y462 AromaticContact CE1-CD1 3.7Å; Y460-Y462 HydrophobicContact CE1-CD1 3.7Å; Y460-Y462 AromaticContact CE1-CE1 3.46Å; Y460-Y462 HydrophobicContact CE1-CE1 3.46Å; Y460-Y462 VanDerWaalsContact CE1-CE1 3.46Å; Y460-Y462 HydrophobicContact CE1-CG 4.38Å
461	H	95.1	Very high	94.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.165	C	C	.	.			trans	-132.1	110.5	-176.1	-175.8	-144.9	0	0	0	111.9	V70 Q74 L171 W173 S309 R463 W466	V70-H461 HydrophobicContact CG1-CB 4.18Å; V70-H461 HydrophobicContact CG2-CB 4.11Å; Q74-H461 PolarHBondContact NE2-O 2.94Å; L171-H461 WeakPolarHBondContact CD1-CE1 3.45Å; W173-H461 AromaticContact CZ2-CE1 3.63Å; W173-H461 AromaticContact CZ2-NE2 3.68Å; S309-H461 VanDerWaalsContact OG-CB 3.25Å; S309-H461 WeakPolarHBondContact OG-CB 3.31Å; H461-R463 PolarHBondContact O-N 3.36Å; H461-W466 AromaticContact CD2-CD1 3.54Å; H461-W466 AromaticContact CD2-CG 3.91Å; H461-W466 AromaticContact CD2-NE1 3.83Å; H461-W466 AromaticContact NE2-CD1 3.56Å; H461-W466 AromaticContact NE2-CD2 3.96Å; H461-W466 AromaticContact NE2-CG 3.43Å
462	Y	96.1	Very high	94.5	Very high	56 Å²	56	29.3 Å²	29.3	22%	0.22	14%	0.14	C	C	.	.			trans	-83.9	102.8	166.4	-66.3	-59.8	0	0	0	109.5	K444 C445 I457 Y460 D465 W466	K444-Y462 HydrophobicContact CB-CD1 4.05Å; K444-Y462 HydrophobicContact CB-CD2 3.84Å; K444-Y462 HydrophobicContact CB-CE1 4.09Å; K444-Y462 HydrophobicContact CB-CE2 3.85Å; K444-Y462 HydrophobicContact CB-CG 3.94Å; K444-Y462 HydrophobicContact CD-CD1 3.58Å; K444-Y462 HydrophobicContact CD-CE1 3.28Å; K444-Y462 HydrophobicContact CD-CG 4.34Å; K444-Y462 HydrophobicContact CG-CD1 4.43Å; K444-Y462 HydrophobicContact CG-CE1 4.3Å; C445-Y462 HydrophobicContact CB-CD2 4.07Å; C445-Y462 VanDerWaalsContact SG-CD2 3.55Å; C445-Y462 WeakPolarHBondContact SG-CE2 3.2Å; I457-Y462 HydrophobicContact CD1-CD2 3.84Å; I457-Y462 HydrophobicContact CD1-CE2 4.34Å; I457-Y462 HydrophobicContact CG2-CE2 4.03Å; Y460-Y462 HydrophobicContact CD1-CD1 4.17Å; Y460-Y462 AromaticContact CD1-CE1 3.93Å; Y460-Y462 HydrophobicContact CD1-CE1 3.93Å; Y460-Y462 HydrophobicContact CD1-CE2 4.34Å; Y460-Y462 HydrophobicContact CD1-CG 4.46Å; Y460-Y462 AromaticContact CE1-CD1 3.7Å; Y460-Y462 HydrophobicContact CE1-CD1 3.7Å; Y460-Y462 AromaticContact CE1-CE1 3.46Å; Y460-Y462 HydrophobicContact CE1-CE1 3.46Å; Y460-Y462 VanDerWaalsContact CE1-CE1 3.46Å; Y460-Y462 HydrophobicContact CE1-CG 4.38Å; Y462-D465 WeakPolarHBondContact CB-OD2 3.18Å; Y462-D465 PolarHBondContact O-N 2.94Å; Y462-W466 PolarHBondContact O-N 2.97Å
463	R	95.4	Very high	94.2	Very high	1 Å²	1	30 Å²	30	0%	0.004	15%	0.146	C	C	.	.	H	α-helix	trans	-65.6	-42	-172.5	-66.4	-177.4	178.1	-72.1	-5.4	111.2	V70 L78 C168 H169 E174 H461 W466 L467	V70-R463 HydrophobicContact CG1-CG 4.46Å; L78-R463 HydrophobicContact CD1-CB 3.74Å; L78-R463 HydrophobicContact CD1-CG 4.17Å; C168-R463 PolarHBondContact O-NH1 3.04Å; H169-R463 PolarHBondContact CE1-NH2 3.24Å; H169-R463 PolarHBondContact ND1-NH2 2.63Å; E174-R463 IonicContact OE1-CZ 2.63Å; E174-R463 VanDerWaalsContact OE1-CZ 3.31Å; E174-R463 IonicContact OE1-NH1 3.81Å; E174-R463 PolarHBondContact OE1-NH1 3.38Å; E174-R463 IonicContact OE1-NH2 3.42Å; E174-R463 PolarHBondContact OE1-NH2 3.46Å; E174-R463 IonicContact OE2-NH2 2.91Å; H461-R463 PolarHBondContact O-N 3.36Å; R463-W466 PolarHBondContact O-N 2.77Å; R463-L467 WeakPolarHBondContact O-CG 3.44Å; R463-L467 PolarHBondContact O-N 3.33Å
464	L	95.9	Very high	94	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-63.2	-44.9	-179.3	-175.4	61.3	0	0	0	111.8	L84 F443 W466 L467 M468 W481 L485 L499 L500	L84-L464 HydrophobicContact CD1-CD1 4.03Å; F443-L464 HydrophobicContact CD1-CD2 4.14Å; F443-L464 HydrophobicContact CD1-CG 4.18Å; F443-L464 HydrophobicContact CE1-CD2 3.78Å; F443-L464 HydrophobicContact CE1-CG 3.87Å; L464-W466 VanDerWaalsContact C-N 3.29Å; L464-W466 PolarHBondContact O-N 3.42Å; L464-L467 PolarHBondContact O-N 3.4Å; L464-M468 WeakPolarHBondContact O-CG 3.26Å; L464-M468 PolarHBondContact O-N 2.92Å; L464-W481 HydrophobicContact CD1-CE3 4.35Å; L464-W481 HydrophobicContact CD1-CH2 4.13Å; L464-W481 HydrophobicContact CD1-CZ3 3.54Å; L464-L485 HydrophobicContact CD1-CD2 4.18Å; L464-L485 HydrophobicContact CD2-CD2 4.35Å; L464-L499 HydrophobicContact CD2-CB 3.59Å; L464-L499 HydrophobicContact CD2-CD1 3.98Å; L464-L499 HydrophobicContact CD2-CG 4.43Å; L464-L500 HydrophobicContact CD2-CD2 4.22Å
465	D	95.6	Very high	93.7	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.011	16%	0.155	C	C	.	.	H	α-helix	trans	-56.4	-42.7	175.7	-67.7	-120	0	0	0	112.4	F443 K444 C445 K446 Y462 M468 W469	F443-D465 WeakPolarHBondContact CB-OD1 3.49Å; K444-D465 PolarHBondContact N-OD1 3.39Å; C445-D465 PolarHBondContact N-OD1 2.92Å; K446-D465 HydrophobicContact CB-CB 3.93Å; K446-D465 WeakPolarHBondContact CB-OD1 3.42Å; K446-D465 PolarHBondContact N-OD1 3.3Å; Y462-D465 WeakPolarHBondContact CB-OD2 3.18Å; Y462-D465 PolarHBondContact O-N 2.94Å; D465-M468 PolarHBondContact O-N 2.93Å; D465-W469 PolarHBondContact O-N 3.37Å; D465-W469 VanDerWaalsContact O-N 3.14Å
466	W	93.9	Very high	93.4	Very high	11 Å²	11	33.3 Å²	33.3	4%	0.042	16%	0.16	C	C	.	.	H	α-helix	trans	-67.7	-42.5	176	-91	73.3	0	0	0	112.7	W173 P246 N307 L308 H461 Y462 R463 L464 M468 W469 F470	W173-W466 HydrophobicContact CH2-CD2 4.12Å; W173-W466 AromaticContact CH2-CE3 3.68Å; W173-W466 HydrophobicContact CH2-CE3 3.68Å; W173-W466 AromaticContact CH2-CH2 3.58Å; W173-W466 HydrophobicContact CH2-CH2 3.58Å; W173-W466 HydrophobicContact CH2-CZ2 4.06Å; W173-W466 AromaticContact CH2-CZ3 3.4Å; W173-W466 HydrophobicContact CH2-CZ3 3.4Å; W173-W466 AromaticContact CZ3-CH2 3.91Å; W173-W466 HydrophobicContact CZ3-CH2 3.91Å; W173-W466 AromaticContact CZ3-CZ3 3.87Å; W173-W466 HydrophobicContact CZ3-CZ3 3.87Å; P246-W466 HydrophobicContact CB-CD2 3.84Å; P246-W466 HydrophobicContact CB-CE3 3.78Å; P246-W466 HydrophobicContact CB-CH2 3.77Å; P246-W466 HydrophobicContact CB-CZ2 3.77Å; P246-W466 HydrophobicContact CB-CZ3 3.74Å; P246-W466 HydrophobicContact CG-CE3 3.99Å; P246-W466 HydrophobicContact CG-CH2 3.55Å; P246-W466 HydrophobicContact CG-CZ2 4.06Å; P246-W466 HydrophobicContact CG-CZ3 3.48Å; P246-W466 VanDerWaalsContact CG-CZ3 3.48Å; N307-W466 WeakPolarHBondContact O-CZ2 2.85Å; L308-W466 HydrophobicContact CD2-CH2 3.87Å; L308-W466 HydrophobicContact CD2-CZ2 4.19Å; H461-W466 AromaticContact CD2-CD1 3.54Å; H461-W466 AromaticContact CD2-CG 3.91Å; H461-W466 AromaticContact CD2-NE1 3.83Å; H461-W466 AromaticContact NE2-CD1 3.56Å; H461-W466 AromaticContact NE2-CD2 3.96Å; H461-W466 AromaticContact NE2-CG 3.43Å; Y462-W466 PolarHBondContact O-N 2.97Å; R463-W466 PolarHBondContact O-N 2.77Å; L464-W466 VanDerWaalsContact C-N 3.29Å; L464-W466 PolarHBondContact O-N 3.42Å; W466-M468 VanDerWaalsContact C-N 3.31Å; W466-M468 PolarHBondContact O-N 3.33Å; W466-W469 WeakPolarHBondContact O-CB 3.47Å; W466-W469 PolarHBondContact O-N 3.45Å; W466-F470 HydrophobicContact CE3-CE2 4.17Å; W466-F470 WeakPolarHBondContact O-CD2 2.87Å; W466-F470 PolarHBondContact O-N 3Å
467	L	94.8	Very high	93.1	Very high	9 Å²	9	31.9 Å²	31.9	5%	0.047	15%	0.149	C	C	.	.	H	α-helix	trans	-63.1	-38.2	175.7	-70.2	176.8	0	0	0	111.8	I167 R463 L464 W469 F470 A471 W481	I167-L467 HydrophobicContact CD1-CD2 4.42Å; I167-L467 HydrophobicContact CG1-CD2 3.98Å; I167-L467 HydrophobicContact CG2-CD1 4.36Å; I167-L467 HydrophobicContact CG2-CD2 4.29Å; R463-L467 WeakPolarHBondContact O-CG 3.44Å; R463-L467 PolarHBondContact O-N 3.33Å; L464-L467 PolarHBondContact O-N 3.4Å; L467-W469 VanDerWaalsContact C-N 3.29Å; L467-W469 PolarHBondContact O-N 3.49Å; L467-F470 WeakPolarHBondContact O-CB 3.26Å; L467-F470 PolarHBondContact O-N 3.34Å; L467-F470 VanDerWaalsContact O-N 3.16Å; L467-A471 PolarHBondContact O-N 2.83Å; L467-W481 HydrophobicContact CB-CH2 3.73Å; L467-W481 HydrophobicContact CB-CZ2 3.59Å
468	M	95.8	Very high	92.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.5	-31.1	174.6	-73.6	-62.3	-60.2	0	0	112.9	V421 F443 K446 L464 D465 W466 A471 A472 W481	V421-M468 HydrophobicContact CB-CE 3.82Å; V421-M468 HydrophobicContact CG1-CE 3.97Å; F443-M468 HydrophobicContact CD1-CG 4.19Å; F443-M468 HydrophobicContact CE1-CG 3.53Å; F443-M468 HydrophobicContact CE1-SD 4.26Å; F443-M468 HydrophobicContact CE2-CE 4.04Å; F443-M468 HydrophobicContact CE2-CG 4.3Å; F443-M468 HydrophobicContact CZ-CE 3.76Å; F443-M468 HydrophobicContact CZ-CG 3.6Å; F443-M468 HydrophobicContact CZ-SD 3.87Å; K446-M468 HydrophobicContact CD-CB 3.57Å; L464-M468 WeakPolarHBondContact O-CG 3.26Å; L464-M468 PolarHBondContact O-N 2.92Å; D465-M468 PolarHBondContact O-N 2.93Å; W466-M468 VanDerWaalsContact C-N 3.31Å; W466-M468 PolarHBondContact O-N 3.33Å; M468-A471 PolarHBondContact O-N 3.07Å; M468-A472 PolarHBondContact O-N 3.37Å; M468-A472 VanDerWaalsContact O-N 3.16Å; M468-W481 HydrophobicContact CG-CH2 4.02Å; M468-W481 HydrophobicContact SD-CH2 3.53Å; M468-W481 VanDerWaalsContact SD-CH2 3.53Å; M468-W481 HydrophobicContact SD-CZ3 3.97Å
469	W	94.2	Very high	92.7	Very high	27 Å²	27	35.8 Å²	35.8	10%	0.102	17%	0.165	C	C	.	.	H	α-helix	trans	-62.7	-45.3	170.5	176.2	73.4	0	0	0	111.2	T244 P246 R418 D465 W466 L467 A472 F473	T244-W469 PolarHBondContact O-NE1 3.05Å; P246-W469 HydrophobicContact CB-CB 4.44Å; P246-W469 HydrophobicContact CB-CD2 3.79Å; P246-W469 HydrophobicContact CB-CE3 4.05Å; P246-W469 HydrophobicContact CB-CG 3.97Å; P246-W469 HydrophobicContact CG-CD2 3.78Å; P246-W469 HydrophobicContact CG-CE3 3.79Å; P246-W469 HydrophobicContact CG-CG 4.47Å; P246-W469 HydrophobicContact CG-CH2 3.98Å; P246-W469 HydrophobicContact CG-CZ2 3.97Å; P246-W469 HydrophobicContact CG-CZ3 3.89Å; R418-W469 VanDerWaalsContact CZ-CD1 3.41Å; D465-W469 PolarHBondContact O-N 3.37Å; D465-W469 VanDerWaalsContact O-N 3.14Å; W466-W469 WeakPolarHBondContact O-CB 3.47Å; W466-W469 PolarHBondContact O-N 3.45Å; L467-W469 VanDerWaalsContact C-N 3.29Å; L467-W469 PolarHBondContact O-N 3.49Å; W469-A472 PolarHBondContact O-N 2.96Å; W469-F473 AromaticContact CD2-CE1 3.76Å; W469-F473 HydrophobicContact CD2-CE1 3.76Å; W469-F473 AromaticContact CE2-CE1 3.84Å; W469-F473 AromaticContact CE3-CE1 3.73Å; W469-F473 HydrophobicContact CE3-CE1 3.73Å; W469-F473 HydrophobicContact CE3-CZ 4.03Å; W469-F473 HydrophobicContact CG-CE1 4.44Å; W469-F473 AromaticContact CH2-CE1 3.91Å; W469-F473 HydrophobicContact CH2-CE1 3.91Å; W469-F473 HydrophobicContact CH2-CZ 4.07Å; W469-F473 AromaticContact CZ2-CE1 3.94Å; W469-F473 HydrophobicContact CZ2-CE1 3.94Å; W469-F473 AromaticContact CZ3-CE1 3.8Å; W469-F473 HydrophobicContact CZ3-CE1 3.8Å; W469-F473 AromaticContact CZ3-CZ 3.79Å; W469-F473 HydrophobicContact CZ3-CZ 3.79Å; W469-F473 WeakPolarHBondContact O-CD1 3.29Å; W469-F473 WeakPolarHBondContact O-CE1 3.2Å
470	F	91.6	Very high	92.4	Very high	61 Å²	61	37.9 Å²	37.9	27%	0.268	17%	0.172	S	C	.	.	H	α-helix	trans	-60.9	-44.2	174.6	-73.8	-78.4	0	0	0	112.7	L171 W466 L467 A472 F473	L171-F470 HydrophobicContact CD2-CE2 3.74Å; L171-F470 HydrophobicContact CD2-CZ 4.07Å; W466-F470 HydrophobicContact CE3-CE2 4.17Å; W466-F470 WeakPolarHBondContact O-CD2 2.87Å; W466-F470 PolarHBondContact O-N 3Å; L467-F470 WeakPolarHBondContact O-CB 3.26Å; L467-F470 PolarHBondContact O-N 3.34Å; L467-F470 VanDerWaalsContact O-N 3.16Å; F470-A472 PolarHBondContact O-N 3.45Å; F470-F473 VanDerWaalsContact CA-CE1 3.47Å; F470-F473 VanDerWaalsContact CA-CZ 3.44Å; F470-F473 HydrophobicContact CB-CZ 4.09Å; F470-F473 HydrophobicContact CD1-CE1 4.29Å; F470-F473 AromaticContact CD1-CE2 3.9Å; F470-F473 HydrophobicContact CD1-CE2 3.9Å; F470-F473 AromaticContact CD1-CZ 3.33Å; F470-F473 HydrophobicContact CD1-CZ 3.33Å; F470-F473 HydrophobicContact CE1-CZ 4.04Å; F470-F473 AromaticContact CG-CZ 4Å; F470-F473 HydrophobicContact CG-CZ 4Å; F470-F473 WeakPolarHBondContact O-CD2 3.25Å; F470-F473 WeakPolarHBondContact O-CE2 3.47Å; F470-F473 WeakPolarHBondContact O-CG 3.4Å; F470-F473 PolarHBondContact O-N 3.32Å
471	A	93.6	Very high	92.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-57	-36.1	178.1	0	0	0	0	0	112.9	L467 M468 F473 Q474 W481 I482 Y545	L467-A471 PolarHBondContact O-N 2.83Å; M468-A471 PolarHBondContact O-N 3.07Å; A471-F473 PolarHBondContact O-N 2.92Å; A471-F473 VanDerWaalsContact O-N 3.11Å; A471-Q474 CarbonylContact O-C 3.4Å; A471-Q474 PolarHBondContact O-N 3.32Å; A471-W481 HydrophobicContact CB-CZ2 4.29Å; A471-I482 HydrophobicContact CB-CD1 3.39Å; A471-Y545 PolarHBondContact O-OH 2.86Å; A471-Y545 VanDerWaalsContact O-OH 3.05Å
472	A	92.6	Very high	92.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.9	-173	0	0	0	0	0	115.5	T419 V421 M468 W469 F470 H518	T419-A472 VanDerWaalsContact O-CB 3.3Å; T419-A472 WeakPolarHBondContact O-CB 3.15Å; T419-A472 PolarHBondContact OG1-O 2.82Å; V421-A472 HydrophobicContact CG2-CB 4.22Å; M468-A472 PolarHBondContact O-N 3.37Å; M468-A472 VanDerWaalsContact O-N 3.16Å; W469-A472 PolarHBondContact O-N 2.96Å; F470-A472 PolarHBondContact O-N 3.45Å; A472-H518 PolarHBondContact O-NE2 2.83Å
473	F	88.7	Confident	92.2	Very high	87 Å²	87	34.4 Å²	34.4	38%	0.382	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117	8.2	172.4	52.6	-101	0	0	0	113.2	W469 F470 A471	W469-F473 AromaticContact CD2-CE1 3.76Å; W469-F473 HydrophobicContact CD2-CE1 3.76Å; W469-F473 AromaticContact CE2-CE1 3.84Å; W469-F473 AromaticContact CE3-CE1 3.73Å; W469-F473 HydrophobicContact CE3-CE1 3.73Å; W469-F473 HydrophobicContact CE3-CZ 4.03Å; W469-F473 HydrophobicContact CG-CE1 4.44Å; W469-F473 AromaticContact CH2-CE1 3.91Å; W469-F473 HydrophobicContact CH2-CE1 3.91Å; W469-F473 HydrophobicContact CH2-CZ 4.07Å; W469-F473 AromaticContact CZ2-CE1 3.94Å; W469-F473 HydrophobicContact CZ2-CE1 3.94Å; W469-F473 AromaticContact CZ3-CE1 3.8Å; W469-F473 HydrophobicContact CZ3-CE1 3.8Å; W469-F473 AromaticContact CZ3-CZ 3.79Å; W469-F473 HydrophobicContact CZ3-CZ 3.79Å; W469-F473 WeakPolarHBondContact O-CD1 3.29Å; W469-F473 WeakPolarHBondContact O-CE1 3.2Å; F470-F473 VanDerWaalsContact CA-CE1 3.47Å; F470-F473 VanDerWaalsContact CA-CZ 3.44Å; F470-F473 HydrophobicContact CB-CZ 4.09Å; F470-F473 HydrophobicContact CD1-CE1 4.29Å; F470-F473 AromaticContact CD1-CE2 3.9Å; F470-F473 HydrophobicContact CD1-CE2 3.9Å; F470-F473 AromaticContact CD1-CZ 3.33Å; F470-F473 HydrophobicContact CD1-CZ 3.33Å; F470-F473 HydrophobicContact CE1-CZ 4.04Å; F470-F473 AromaticContact CG-CZ 4Å; F470-F473 HydrophobicContact CG-CZ 4Å; F470-F473 WeakPolarHBondContact O-CD2 3.25Å; F470-F473 WeakPolarHBondContact O-CE2 3.47Å; F470-F473 WeakPolarHBondContact O-CG 3.4Å; F470-F473 PolarHBondContact O-N 3.32Å; A471-F473 PolarHBondContact O-N 2.92Å; A471-F473 VanDerWaalsContact O-N 3.11Å
474	Q	90.3	Very high	92.1	Very high	72 Å²	72	34.4 Å²	34.4	34%	0.336	16%	0.159	S	C	.	.	S	Bend	trans	-117.6	-173.3	175.1	-70.5	-178.2	-26	0	0	109.5	A471 N479 Y545	A471-Q474 CarbonylContact O-C 3.4Å; A471-Q474 PolarHBondContact O-N 3.32Å; Q474-N479 VanDerWaalsContact CB-ND2 3.31Å; Q474-N479 WeakPolarHBondContact CB-ND2 3.29Å; Q474-N479 PolarHBondContact OE1-ND2 3.26Å; Q474-N479 PolarHBondContact OE1-OD1 2.79Å; Q474-Y545 VanDerWaalsContact O-CE2 3.31Å; Q474-Y545 WeakPolarHBondContact O-CE2 3.28Å; Q474-Y545 PolarHBondContact O-OH 3.39Å
475	T	90.1	Very high	92.2	Very high	61 Å²	61	34.3 Å²	34.3	37%	0.374	16%	0.159	S	C	.	.			trans	-104.3	162.9	172.4	78.1	0	0	0	0	111	E477 Q478 N479 Y545	T475-E477 WeakPolarHBondContact CB-OE2 3.36Å; T475-E477 PolarHBondContact O-N 3.23Å; T475-E477 PolarHBondContact OG1-OE2 3.41Å; T475-Q478 PolarHBondContact O-N 2.9Å; T475-N479 PolarHBondContact O-N 2.74Å; T475-N479 PolarHBondContact O-ND2 3.1Å; T475-Y545 PolarHBondContact O-OH 3.06Å
476	Y	87.8	Confident	92.2	Very high	68 Å²	68	34.2 Å²	34.2	27%	0.267	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-23.1	179.3	66.6	-89.4	0	0	0	112	Q478 N479 E480 L483 Y545 F546	Y476-Q478 VanDerWaalsContact C-N 3.31Å; Y476-N479 CarbonylContact O-C 3.59Å; Y476-N479 PolarHBondContact O-N 3.07Å; Y476-N479 VanDerWaalsContact O-N 3.12Å; Y476-E480 PolarHBondContact O-N 3.14Å; Y476-L483 HydrophobicContact CD2-CD1 3.98Å; Y476-L483 HydrophobicContact CD2-CD2 4.12Å; Y476-L483 HydrophobicContact CD2-CG 4.27Å; Y476-L483 HydrophobicContact CE2-CD1 4.4Å; Y476-Y545 WeakPolarHBondContact CD1-O 3.12Å; Y476-Y545 WeakPolarHBondContact CE1-O 3.45Å; Y476-Y545 PolarHBondContact N-OH 3.36Å; Y476-Y545 VanDerWaalsContact N-OH 3.16Å; Y476-F546 HydrophobicContact CD1-CB 3.77Å; Y476-F546 HydrophobicContact CD2-CB 4.39Å; Y476-F546 HydrophobicContact CE1-CB 4.06Å; Y476-F546 HydrophobicContact CG-CB 3.97Å
477	E	87.4	Confident	92.3	Very high	100 Å²	100	33.7 Å²	33.7	47%	0.467	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-31.8	172.2	-55.9	86.5	169.5	0	0	111.9	T475 N479 E480	T475-E477 WeakPolarHBondContact CB-OE2 3.36Å; T475-E477 PolarHBondContact O-N 3.23Å; T475-E477 PolarHBondContact OG1-OE2 3.41Å; E477-N479 VanDerWaalsContact C-N 3.28Å; E477-E480 WeakPolarHBondContact O-CG 3.48Å
478	Q	87.5	Confident	92.3	Very high	127 Å²	127	33.5 Å²	33.5	59%	0.593	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-18.3	172	-65.6	177.6	-5.8	0	0	112.3	T475 Y476	T475-Q478 PolarHBondContact O-N 2.9Å; Y476-Q478 VanDerWaalsContact C-N 3.31Å
479	N	89.4	Confident	92.3	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.011	16%	0.155	C	C	.	.			trans	-125.9	56.7	-175	-71.2	-78.9	0	0	0	111.1	Q474 T475 Y476 E477 W481 I482	Q474-N479 VanDerWaalsContact CB-ND2 3.31Å; Q474-N479 WeakPolarHBondContact CB-ND2 3.29Å; Q474-N479 PolarHBondContact OE1-ND2 3.26Å; Q474-N479 PolarHBondContact OE1-OD1 2.79Å; T475-N479 PolarHBondContact O-N 2.74Å; T475-N479 PolarHBondContact O-ND2 3.1Å; Y476-N479 CarbonylContact O-C 3.59Å; Y476-N479 PolarHBondContact O-N 3.07Å; Y476-N479 VanDerWaalsContact O-N 3.12Å; E477-N479 VanDerWaalsContact C-N 3.28Å; N479-W481 PolarHBondContact O-N 3.05Å; N479-W481 PolarHBondContact OD1-NE1 2.88Å; N479-W481 VanDerWaalsContact OD1-NE1 3.15Å; N479-I482 HydrophobicContact CB-CD1 3.56Å; N479-I482 HydrophobicContact CB-CG1 4.08Å; N479-I482 WeakPolarHBondContact O-CB 3.44Å; N479-I482 WeakPolarHBondContact O-CG1 3.16Å; N479-I482 PolarHBondContact O-N 3.17Å
480	E	88.7	Confident	92.4	Very high	69 Å²	69	32.7 Å²	32.7	32%	0.322	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-25.5	-173.7	-61.2	-165.6	150.4	0	0	114.2	Y476 E477 I482 L483 H484 Y557 R561 W563	Y476-E480 PolarHBondContact O-N 3.14Å; E477-E480 WeakPolarHBondContact O-CG 3.48Å; E480-I482 PolarHBondContact O-N 3.08Å; E480-I482 VanDerWaalsContact O-N 3.17Å; E480-L483 WeakPolarHBondContact O-CB 3.5Å; E480-L483 PolarHBondContact O-N 2.8Å; E480-H484 PolarHBondContact O-N 3.27Å; E480-Y557 VanDerWaalsContact CB-OH 3.29Å; E480-Y557 WeakPolarHBondContact CB-OH 3.2Å; E480-Y557 VanDerWaalsContact CG-OH 3.32Å; E480-Y557 WeakPolarHBondContact CG-OH 3.28Å; E480-R561 IonicContact OE1-CZ 2.77Å; E480-R561 IonicContact OE1-NE 3.73Å; E480-R561 IonicContact OE1-NH2 3.9Å; E480-R561 PolarHBondContact OE1-NH2 3.5Å; E480-R561 IonicContact OE2-CZ 3.47Å; E480-R561 IonicContact OE2-NE 2.93Å; E480-R561 PolarHBondContact OE2-NE 3.3Å; E480-R561 IonicContact OE2-NH2 3.1Å; E480-R561 PolarHBondContact OE2-NH2 2.92Å; E480-W563 HydrophobicContact CB-CH2 3.93Å
481	W	93.2	Very high	92.6	Very high	12 Å²	12	29.8 Å²	29.8	5%	0.045	14%	0.14	C	C	.	.	H	α-helix	trans	-58.4	-23.9	174.9	64.4	-95.3	0	0	0	113.1	L85 L464 L467 M468 A471 N479 H484 L485	L85-W481 HydrophobicContact CD1-CB 4.44Å; L85-W481 HydrophobicContact CD2-CB 4.16Å; L85-W481 HydrophobicContact CG-CB 4.3Å; L464-W481 HydrophobicContact CD1-CE3 4.35Å; L464-W481 HydrophobicContact CD1-CH2 4.13Å; L464-W481 HydrophobicContact CD1-CZ3 3.54Å; L467-W481 HydrophobicContact CB-CH2 3.73Å; L467-W481 HydrophobicContact CB-CZ2 3.59Å; M468-W481 HydrophobicContact CG-CH2 4.02Å; M468-W481 HydrophobicContact SD-CH2 3.53Å; M468-W481 VanDerWaalsContact SD-CH2 3.53Å; M468-W481 HydrophobicContact SD-CZ3 3.97Å; A471-W481 HydrophobicContact CB-CZ2 4.29Å; N479-W481 PolarHBondContact O-N 3.05Å; N479-W481 PolarHBondContact OD1-NE1 2.88Å; N479-W481 VanDerWaalsContact OD1-NE1 3.15Å; W481-H484 WeakPolarHBondContact O-CB 3.46Å; W481-H484 PolarHBondContact O-N 3.2Å; W481-L485 HydrophobicContact CZ3-CD2 4.29Å; W481-L485 PolarHBondContact O-N 3.49Å
482	I	95.3	Very high	92.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-68.1	-36.8	175.7	-63.7	171.8	0	0	0	110.9	L423 A471 N479 E480 H484 L485 A486 Y545 F546	L423-I482 HydrophobicContact CD2-CG2 4.47Å; A471-I482 HydrophobicContact CB-CD1 3.39Å; N479-I482 HydrophobicContact CB-CD1 3.56Å; N479-I482 HydrophobicContact CB-CG1 4.08Å; N479-I482 WeakPolarHBondContact O-CB 3.44Å; N479-I482 WeakPolarHBondContact O-CG1 3.16Å; N479-I482 PolarHBondContact O-N 3.17Å; E480-I482 PolarHBondContact O-N 3.08Å; E480-I482 VanDerWaalsContact O-N 3.17Å; I482-H484 VanDerWaalsContact C-N 3.31Å; I482-L485 WeakPolarHBondContact O-CB 3.33Å; I482-L485 PolarHBondContact O-N 3.2Å; I482-A486 PolarHBondContact O-N 2.73Å; I482-Y545 HydrophobicContact CD1-CE1 4.02Å; I482-F546 HydrophobicContact CG2-CD1 4.25Å; I482-F546 HydrophobicContact CG2-CE1 3.65Å
483	L	94.3	Very high	92.6	Very high	13 Å²	13	31.6 Å²	31.6	7%	0.068	15%	0.154	C	C	.	.	H	α-helix	trans	-69.6	-34.5	175.7	-61.8	-176	0	0	0	110.8	Y476 E480 A486 G487 F546 L549 Y557	Y476-L483 HydrophobicContact CD2-CD1 3.98Å; Y476-L483 HydrophobicContact CD2-CD2 4.12Å; Y476-L483 HydrophobicContact CD2-CG 4.27Å; Y476-L483 HydrophobicContact CE2-CD1 4.4Å; E480-L483 WeakPolarHBondContact O-CB 3.5Å; E480-L483 PolarHBondContact O-N 2.8Å; L483-A486 PolarHBondContact O-N 3.44Å; L483-G487 PolarHBondContact O-N 3.32Å; L483-F546 HydrophobicContact CD2-CD1 4.45Å; L483-F546 HydrophobicContact CD2-CG 4.34Å; L483-L549 HydrophobicContact CD2-CD1 3.69Å; L483-Y557 HydrophobicContact CB-CE1 4.02Å; L483-Y557 HydrophobicContact CD1-CE1 4Å; L483-Y557 HydrophobicContact CD1-CE2 3.91Å
484	H	94.5	Very high	92.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.5	-45.2	170.6	-160.2	-174.5	0	0	0	111.8	G83 L84 E480 W481 I482 A486 G487 K488 F558 W563	G83-H484 PolarHBondContact O-CE1 3.26Å; L84-H484 PolarHBondContact O-ND1 3.28Å; E480-H484 PolarHBondContact O-N 3.27Å; W481-H484 WeakPolarHBondContact O-CB 3.46Å; W481-H484 PolarHBondContact O-N 3.2Å; I482-H484 VanDerWaalsContact C-N 3.31Å; H484-A486 VanDerWaalsContact C-N 3.33Å; H484-A486 PolarHBondContact O-N 3.28Å; H484-G487 PolarHBondContact O-N 3.22Å; H484-K488 WeakPolarHBondContact NE2-CE 3.49Å; H484-K488 PolarHBondContact O-N 3.41Å; H484-F558 HydrophobicContact CB-CE1 4.31Å; H484-F558 AromaticContact CD2-CZ 3.91Å; H484-W563 HydrophobicContact CB-CE3 3.67Å; H484-W563 HydrophobicContact CB-CH2 4.3Å; H484-W563 HydrophobicContact CB-CZ3 3.55Å; H484-W563 AromaticContact CG-CE3 3.6Å; H484-W563 AromaticContact ND1-CD2 3.76Å; H484-W563 AromaticContact ND1-CE3 3.73Å
485	L	96.2	Very high	92.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-57.5	-46.4	173.7	178.1	61.4	0	0	0	111	L84 L423 L464 W481 I482 G487 K488 L489 A496	L84-L485 HydrophobicContact CD2-CB 3.74Å; L84-L485 HydrophobicContact CD2-CD1 3.99Å; L84-L485 HydrophobicContact CD2-CG 4.46Å; L423-L485 HydrophobicContact CD1-CD2 3.69Å; L423-L485 HydrophobicContact CD1-CG 4.14Å; L464-L485 HydrophobicContact CD1-CD2 4.18Å; L464-L485 HydrophobicContact CD2-CD2 4.35Å; W481-L485 HydrophobicContact CZ3-CD2 4.29Å; W481-L485 PolarHBondContact O-N 3.49Å; I482-L485 WeakPolarHBondContact O-CB 3.33Å; I482-L485 PolarHBondContact O-N 3.2Å; L485-G487 PolarHBondContact O-N 2.78Å; L485-K488 PolarHBondContact O-N 3.26Å; L485-K488 VanDerWaalsContact O-N 3.16Å; L485-L489 HydrophobicContact CD1-CD1 4.36Å; L485-L489 HydrophobicContact CD1-CD2 4.43Å; L485-L489 HydrophobicContact CD1-CG 4.17Å; L485-L489 HydrophobicContact CG-CD1 4.19Å; L485-L489 HydrophobicContact CG-CG 4.4Å; L485-L489 VanDerWaalsContact O-CG 3.29Å; L485-L489 WeakPolarHBondContact O-CG 3.49Å; L485-L489 PolarHBondContact O-N 2.87Å; L485-A496 HydrophobicContact CD1-CB 4.3Å
486	A	96.4	Very high	93	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.4	-45.5	177	0	0	0	0	0	112.2	I482 L483 H484 K488 L489 L490 I514 F546	I482-A486 PolarHBondContact O-N 2.73Å; L483-A486 PolarHBondContact O-N 3.44Å; H484-A486 VanDerWaalsContact C-N 3.33Å; H484-A486 PolarHBondContact O-N 3.28Å; A486-K488 VanDerWaalsContact C-N 3.33Å; A486-K488 PolarHBondContact O-N 3.47Å; A486-L489 PolarHBondContact O-N 3Å; A486-L490 WeakPolarHBondContact O-CG 3.39Å; A486-L490 PolarHBondContact O-N 3.07Å; A486-I514 HydrophobicContact CB-CG2 3.97Å; A486-F546 HydrophobicContact CB-CE2 4.43Å; A486-F546 HydrophobicContact CB-CZ 4.17Å
487	G	95.7	Very high	93.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.4	-39	174.9	0	0	0	0	0	113.3	L483 H484 L485 L490 A491	L483-G487 PolarHBondContact O-N 3.32Å; H484-G487 PolarHBondContact O-N 3.22Å; L485-G487 PolarHBondContact O-N 2.78Å; G487-L490 WeakPolarHBondContact O-CB 3.39Å; G487-L490 PolarHBondContact O-N 3.1Å; G487-A491 PolarHBondContact O-N 2.93Å
488	K	95.3	Very high	93.7	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.017	14%	0.142	C	C	.	.	H	α-helix	trans	-66.1	-40	175.8	-78.6	-175.6	169.6	-77.2	0	112.9	R82 L84 H484 L485 A486 A491 G492 D493 A496 P566	R82-K488 WeakPolarHBondContact O-CE 3.15Å; R82-K488 PolarHBondContact O-NZ 3.12Å; L84-K488 HydrophobicContact CD2-CD 4.05Å; H484-K488 WeakPolarHBondContact NE2-CE 3.49Å; H484-K488 PolarHBondContact O-N 3.41Å; L485-K488 PolarHBondContact O-N 3.26Å; L485-K488 VanDerWaalsContact O-N 3.16Å; A486-K488 VanDerWaalsContact C-N 3.33Å; A486-K488 PolarHBondContact O-N 3.47Å; K488-A491 PolarHBondContact O-N 3.26Å; K488-G492 PolarHBondContact O-N 2.64Å; K488-D493 HydrophobicContact CB-CB 3.85Å; K488-D493 HydrophobicContact CG-CB 4.17Å; K488-D493 IonicContact NZ-OD2 3.6Å; K488-D493 PolarHBondContact NZ-OD2 3.24Å; K488-D493 WeakPolarHBondContact O-CB 3.29Å; K488-D493 PolarHBondContact O-N 3.42Å; K488-A496 HydrophobicContact CB-CB 3.8Å; K488-A496 HydrophobicContact CD-CB 3.98Å; K488-A496 HydrophobicContact CG-CB 4.48Å; K488-P566 HydrophobicContact CG-CB 4.15Å; K488-P566 HydrophobicContact CG-CG 3.73Å
489	L	96.6	Very high	94.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-67	-39.2	175	-65	178.5	0	0	0	111.9	L423 Y441 L485 A486 A491 G492 L497 L500 I514	L423-L489 HydrophobicContact CD1-CD1 3.78Å; Y441-L489 HydrophobicContact CD1-CD1 4.44Å; Y441-L489 HydrophobicContact CD1-CD2 4.29Å; Y441-L489 HydrophobicContact CD2-CD1 4.17Å; Y441-L489 HydrophobicContact CE1-CD1 4.44Å; Y441-L489 HydrophobicContact CE1-CD2 3.96Å; Y441-L489 HydrophobicContact CE2-CB 4.45Å; Y441-L489 HydrophobicContact CE2-CD1 4.18Å; Y441-L489 HydrophobicContact CG-CD1 4.29Å; L485-L489 HydrophobicContact CD1-CD1 4.36Å; L485-L489 HydrophobicContact CD1-CD2 4.43Å; L485-L489 HydrophobicContact CD1-CG 4.17Å; L485-L489 HydrophobicContact CG-CD1 4.19Å; L485-L489 HydrophobicContact CG-CG 4.4Å; L485-L489 VanDerWaalsContact O-CG 3.29Å; L485-L489 WeakPolarHBondContact O-CG 3.49Å; L485-L489 PolarHBondContact O-N 2.87Å; A486-L489 PolarHBondContact O-N 3Å; L489-A491 VanDerWaalsContact C-N 3.28Å; L489-A491 PolarHBondContact O-N 3.39Å; L489-G492 PolarHBondContact O-N 3.37Å; L489-G492 VanDerWaalsContact O-N 3.1Å; L489-L497 HydrophobicContact CD2-CD2 3.45Å; L489-L497 VanDerWaalsContact CD2-CD2 3.45Å; L489-L497 HydrophobicContact CD2-CG 4.23Å; L489-L500 HydrophobicContact CD1-CD1 4.42Å; L489-L500 HydrophobicContact CD2-CD1 3.64Å; L489-I514 HydrophobicContact CB-CD1 3.2Å; L489-I514 HydrophobicContact CD1-CD1 4.24Å; L489-I514 HydrophobicContact CG-CD1 4.36Å
490	L	96.2	Very high	94.5	Very high	10 Å²	10	19.2 Å²	19.2	5%	0.052	12%	0.118	C	C	.	.	H	α-helix	trans	-60.4	-37	172.8	-78.5	161.4	0	0	0	112.2	A486 G487 G492 P510 P511 I514 L551 L554	A486-L490 WeakPolarHBondContact O-CG 3.39Å; A486-L490 PolarHBondContact O-N 3.07Å; G487-L490 WeakPolarHBondContact O-CB 3.39Å; G487-L490 PolarHBondContact O-N 3.1Å; L490-G492 VanDerWaalsContact C-N 3.34Å; L490-P510 WeakPolarHBondContact O-CB 3.14Å; L490-P511 WeakPolarHBondContact CD2-O 3.35Å; L490-I514 HydrophobicContact CD1-CB 4.4Å; L490-I514 HydrophobicContact CD2-CB 4.19Å; L490-I514 HydrophobicContact CD2-CD1 4.31Å; L490-I514 HydrophobicContact CD2-CG1 3.83Å; L490-I514 HydrophobicContact CG-CB 4.05Å; L490-I514 HydrophobicContact CG-CD1 3.84Å; L490-I514 HydrophobicContact CG-CG1 3.81Å; L490-L551 HydrophobicContact CB-CB 4.25Å; L490-L551 HydrophobicContact CB-CD1 4.37Å; L490-L554 HydrophobicContact CD1-CD1 4.07Å
491	A	94.6	Very high	94.8	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-80.3	-11.5	175.8	0	0	0	0	0	113.8	G487 K488 L489 L551 P566 P568 P569	G487-A491 PolarHBondContact O-N 2.93Å; K488-A491 PolarHBondContact O-N 3.26Å; L489-A491 VanDerWaalsContact C-N 3.28Å; L489-A491 PolarHBondContact O-N 3.39Å; A491-L551 HydrophobicContact CB-CD2 4.3Å; A491-P566 HydrophobicContact CB-CB 3.43Å; A491-P566 VanDerWaalsContact CB-CB 3.43Å; A491-P568 WeakPolarHBondContact O-CA 3.32Å; A491-P569 WeakPolarHBondContact O-CD 3.43Å
492	G	93.9	Very high	95	Very high	17 Å²	17	21.3 Å²	21.3	18%	0.175	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	35.5	-174	0	0	0	0	0	113.3	K488 L489 L490 S494	K488-G492 PolarHBondContact O-N 2.64Å; L489-G492 PolarHBondContact O-N 3.37Å; L489-G492 VanDerWaalsContact O-N 3.1Å; L490-G492 VanDerWaalsContact C-N 3.34Å; G492-S494 PolarHBondContact O-N 3.1Å
493	D	93.6	Very high	95	Very high	21 Å²	21	22.8 Å²	22.8	11%	0.112	15%	0.15	C	C	.	.			trans	-62.1	117.8	179.8	-177.6	-69.2	0	0	0	111.4	K488 E495 A496 L497	K488-D493 HydrophobicContact CB-CB 3.85Å; K488-D493 HydrophobicContact CG-CB 4.17Å; K488-D493 IonicContact NZ-OD2 3.6Å; K488-D493 PolarHBondContact NZ-OD2 3.24Å; K488-D493 WeakPolarHBondContact O-CB 3.29Å; K488-D493 PolarHBondContact O-N 3.42Å; D493-E495 VanDerWaalsContact C-N 3.35Å; D493-E495 PolarHBondContact O-N 3.47Å; D493-E495 PolarHBondContact OD1-N 3.02Å; D493-E495 VanDerWaalsContact OD1-N 3.12Å; D493-A496 HydrophobicContact CB-CB 4.24Å; D493-A496 PolarHBondContact O-N 2.98Å; D493-A496 PolarHBondContact OD1-N 2.68Å; D493-L497 WeakPolarHBondContact O-CB 3.42Å; D493-L497 WeakPolarHBondContact O-CD1 3.41Å; D493-L497 WeakPolarHBondContact O-CG 3.3Å; D493-L497 PolarHBondContact O-N 3.42Å
494	S	91.7	Very high	95.1	Very high	94 Å²	94	23.1 Å²	23.1	66%	0.657	15%	0.153	S	C	*	.	H	α-helix	trans	-66.6	-32.5	-173.4	54.5	0	0	0	0	113.6	G492 A498	G492-S494 PolarHBondContact O-N 3.1Å; S494-A498 WeakPolarHBondContact O-CB 3.31Å; S494-A498 PolarHBondContact O-N 3.46Å
495	E	91.6	Very high	95.2	Very high	52 Å²	52	23.4 Å²	23.4	24%	0.243	15%	0.154	C	C	.	.	H	α-helix	trans	-70.8	-45.5	179.2	-64.7	-171.6	168.5	0	0	110.9	A77 D493 A498	A77-E495 HydrophobicContact CB-CB 4.1Å; A77-E495 WeakPolarHBondContact CB-O 3.38Å; D493-E495 VanDerWaalsContact C-N 3.35Å; D493-E495 PolarHBondContact O-N 3.47Å; D493-E495 PolarHBondContact OD1-N 3.02Å; D493-E495 VanDerWaalsContact OD1-N 3.12Å; E495-A498 WeakPolarHBondContact O-CB 3.17Å; E495-A498 PolarHBondContact O-N 3.4Å
496	A	93.6	Very high	95	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.008	19%	0.188	C	C	.	.	H	α-helix	trans	-65.1	-41.7	175.3	0	0	0	0	0	112.1	L485 K488 D493 A498 L499	L485-A496 HydrophobicContact CD1-CB 4.3Å; K488-A496 HydrophobicContact CB-CB 3.8Å; K488-A496 HydrophobicContact CD-CB 3.98Å; K488-A496 HydrophobicContact CG-CB 4.48Å; D493-A496 HydrophobicContact CB-CB 4.24Å; D493-A496 PolarHBondContact O-N 2.98Å; D493-A496 PolarHBondContact OD1-N 2.68Å; A496-A498 VanDerWaalsContact C-N 3.26Å; A496-A498 PolarHBondContact O-N 3.14Å; A496-L499 WeakPolarHBondContact O-CB 3.14Å; A496-L499 PolarHBondContact O-N 2.98Å; A496-L499 VanDerWaalsContact O-N 3.1Å
497	L	95.3	Very high	94.7	Very high	28 Å²	28	33.9 Å²	33.9	15%	0.147	22%	0.222	C	C	.	.	H	α-helix	trans	-62.9	-32.3	176.9	-71.2	169.9	0	0	0	112.2	Y441 L489 D493 L499 L500 N503	Y441-L497 HydrophobicContact CE1-CD2 3.9Å; L489-L497 HydrophobicContact CD2-CD2 3.45Å; L489-L497 VanDerWaalsContact CD2-CD2 3.45Å; L489-L497 HydrophobicContact CD2-CG 4.23Å; D493-L497 WeakPolarHBondContact O-CB 3.42Å; D493-L497 WeakPolarHBondContact O-CD1 3.41Å; D493-L497 WeakPolarHBondContact O-CG 3.3Å; D493-L497 PolarHBondContact O-N 3.42Å; L497-L499 PolarHBondContact O-N 3.1Å; L497-L500 HydrophobicContact CD2-CD1 4.4Å; L497-L500 WeakPolarHBondContact O-CB 3.41Å; L497-L500 PolarHBondContact O-N 2.96Å; L497-N503 HydrophobicContact CD2-CB 3.98Å
498	A	94.4	Very high	94.6	Very high	63 Å²	63	39.8 Å²	39.8	52%	0.521	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.1	175.6	0	0	0	0	0	113.9	K444 S494 E495 A496 L500	K444-A498 VanDerWaalsContact CE-O 3.3Å; K444-A498 WeakPolarHBondContact CE-O 3.16Å; K444-A498 PolarHBondContact NZ-O 3.43Å; S494-A498 WeakPolarHBondContact O-CB 3.31Å; S494-A498 PolarHBondContact O-N 3.46Å; E495-A498 WeakPolarHBondContact O-CB 3.17Å; E495-A498 PolarHBondContact O-N 3.4Å; A496-A498 VanDerWaalsContact C-N 3.26Å; A496-A498 PolarHBondContact O-N 3.14Å; A498-L500 VanDerWaalsContact C-N 3.32Å
499	L	96.1	Very high	94.3	Very high	7 Å²	7	44.3 Å²	44.3	4%	0.037	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-17.7	171.7	-63.5	174.9	0	0	0	112.7	Q74 A77 L78 L84 K444 L464 A496 L497	Q74-L499 HydrophobicContact CB-CD2 4.27Å; Q74-L499 HydrophobicContact CG-CD2 4.06Å; A77-L499 HydrophobicContact CB-CD1 3.67Å; A77-L499 HydrophobicContact CB-CD2 3.9Å; A77-L499 HydrophobicContact CB-CG 3.65Å; L78-L499 HydrophobicContact CD2-CD1 3.71Å; L78-L499 HydrophobicContact CG-CD1 4.27Å; L78-L499 HydrophobicContact CG-CD2 4.46Å; L84-L499 HydrophobicContact CD1-CD1 4.22Å; K444-L499 WeakPolarHBondContact CE-O 3.31Å; L464-L499 HydrophobicContact CD2-CB 3.59Å; L464-L499 HydrophobicContact CD2-CD1 3.98Å; L464-L499 HydrophobicContact CD2-CG 4.43Å; A496-L499 WeakPolarHBondContact O-CB 3.14Å; A496-L499 PolarHBondContact O-N 2.98Å; A496-L499 VanDerWaalsContact O-N 3.1Å; L497-L499 PolarHBondContact O-N 3.1Å
500	L	97	Very high	94.2	Very high	11 Å²	11	46.6 Å²	46.6	6%	0.058	29%	0.287	C	S	.	.	S	Bend	trans	-92	162.5	179.2	-58.4	-180	0	0	0	111.4	Y441 F443 K444 L464 L489 L497 A498	Y441-L500 HydrophobicContact CD1-CD1 3.54Å; Y441-L500 HydrophobicContact CE1-CD1 4.31Å; Y441-L500 HydrophobicContact CG-CD1 4.12Å; F443-L500 HydrophobicContact CD1-CD2 3.51Å; F443-L500 HydrophobicContact CE1-CD2 3.46Å; F443-L500 VanDerWaalsContact CE1-CD2 3.46Å; F443-L500 HydrophobicContact CG-CD2 4.11Å; F443-L500 HydrophobicContact CZ-CD2 4.03Å; K444-L500 WeakPolarHBondContact CE-O 3.41Å; L464-L500 HydrophobicContact CD2-CD2 4.22Å; L489-L500 HydrophobicContact CD1-CD1 4.42Å; L489-L500 HydrophobicContact CD2-CD1 3.64Å; L497-L500 HydrophobicContact CD2-CD1 4.4Å; L497-L500 WeakPolarHBondContact O-CB 3.41Å; L497-L500 PolarHBondContact O-N 2.96Å; A498-L500 VanDerWaalsContact C-N 3.32Å
501	A	95.9	Very high	94.2	Very high	53 Å²	53	46.4 Å²	46.4	44%	0.438	29%	0.286	S	S	.	.	S	Bend	trans	-88.8	-40.3	171.4	0	0	0	0	0	112.1	E442 F443 K444	E442-A501 PolarHBondContact O-N 2.89Å; F443-A501 WeakPolarHBondContact O-CB 3.39Å; K444-A501 HydrophobicContact CG-CB 4.28Å
502	V	96.2	Very high	94.2	Very high	73 Å²	73	53.9 Å²	53.9	44%	0.442	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-131.3	124.7	-178.9	-174.1	0	0	0	0	109.6	E442	E442-V502 HydrophobicContact CB-CB 3.83Å; E442-V502 HydrophobicContact CB-CG2 3.94Å; E442-V502 HydrophobicContact CG-CB 4.19Å; E442-V502 HydrophobicContact CG-CG2 4.31Å; E442-V502 PolarHBondContact N-O 3.31Å; E442-V502 PolarHBondContact O-N 3.12Å
503	N	96.6	Very high	94.4	Very high	30 Å²	30	54.9 Å²	54.9	16%	0.16	31%	0.313	C	S	.	.			trans	-100.9	108.7	163.4	174.5	14.9	0	0	0	108.3	Y441 L497 F505 E506	Y441-N503 HydrophobicContact CE1-CB 4.47Å; Y441-N503 VanDerWaalsContact CE1-OD1 3.31Å; Y441-N503 WeakPolarHBondContact CE1-OD1 3.49Å; L497-N503 HydrophobicContact CD2-CB 3.98Å; N503-F505 PolarHBondContact O-N 3.23Å; N503-F505 VanDerWaalsContact O-N 3.14Å; N503-F505 PolarHBondContact OD1-N 3.02Å; N503-E506 HydrophobicContact CB-CB 4.28Å; N503-E506 PolarHBondContact ND2-N 2.95Å; N503-E506 WeakPolarHBondContact O-CB 3.44Å; N503-E506 PolarHBondContact O-N 3.29Å; N503-E506 VanDerWaalsContact O-N 3.14Å
504	P	96.1	Very high	94.6	Very high	21 Å²	21	53.9 Å²	53.9	14%	0.136	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.7	178.9	21.8	-30.4	0	0	0	111.8	E439 D440 Y441 E506 R508	E439-P504 HydrophobicContact CB-CB 3.64Å; E439-P504 HydrophobicContact CB-CG 3.91Å; D440-P504 WeakPolarHBondContact O-CG 3.41Å; Y441-P504 HydrophobicContact CD1-CG 4.37Å; Y441-P504 HydrophobicContact CE1-CG 4.42Å; Y441-P504 HydrophobicContact CG-CG 4.46Å; P504-E506 VanDerWaalsContact C-N 3.33Å; P504-E506 PolarHBondContact O-N 2.98Å; P504-R508 PolarHBondContact O-NE 2.91Å; P504-R508 PolarHBondContact O-NH2 3.31Å
505	F	95.8	Very high	94.9	Very high	5 Å²	5	51.8 Å²	51.8	2%	0.022	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	13.6	-177.7	-55	-78.8	0	0	0	114	G425 V427 E439 Y441 N503 G507 R508 P511	G425-F505 VanDerWaalsContact C-CZ 3.45Å; G425-F505 WeakPolarHBondContact O-CZ 3.32Å; V427-F505 HydrophobicContact CG1-CD1 3.95Å; V427-F505 HydrophobicContact CG1-CE1 3.79Å; E439-F505 HydrophobicContact CB-CZ 4.12Å; E439-F505 HydrophobicContact CG-CZ 4.44Å; Y441-F505 HydrophobicContact CE2-CD2 4.37Å; Y441-F505 HydrophobicContact CE2-CE2 4.19Å; Y441-F505 AromaticContact CZ-CD2 3.88Å; Y441-F505 WeakPolarHBondContact OH-CD2 3.33Å; N503-F505 PolarHBondContact O-N 3.23Å; N503-F505 VanDerWaalsContact O-N 3.14Å; N503-F505 PolarHBondContact OD1-N 3.02Å; F505-G507 PolarHBondContact O-N 3.31Å; F505-R508 PolarHBondContact O-N 3.43Å; F505-P511 HydrophobicContact CD2-CB 4.14Å; F505-P511 HydrophobicContact CD2-CG 3.96Å; F505-P511 HydrophobicContact CE1-CB 4.32Å; F505-P511 HydrophobicContact CE2-CB 3.83Å; F505-P511 HydrophobicContact CE2-CG 4.01Å; F505-P511 HydrophobicContact CZ-CB 3.95Å
506	E	93.2	Very high	95.1	Very high	151 Å²	151	49.3 Å²	49.3	71%	0.706	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	132	177.7	-170.1	169.5	-169.1	0	0	111.4	N503 P504 R508	N503-E506 HydrophobicContact CB-CB 4.28Å; N503-E506 PolarHBondContact ND2-N 2.95Å; N503-E506 WeakPolarHBondContact O-CB 3.44Å; N503-E506 PolarHBondContact O-N 3.29Å; N503-E506 VanDerWaalsContact O-N 3.14Å; P504-E506 VanDerWaalsContact C-N 3.33Å; P504-E506 PolarHBondContact O-N 2.98Å; E506-R508 PolarHBondContact O-N 3.4Å; E506-R508 VanDerWaalsContact O-N 3.07Å
507	G	90.3	Very high	95.3	Very high	69 Å²	69	49.5 Å²	49.5	71%	0.711	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	-6.4	-174.2	0	0	0	0	0	115.6	F505	F505-G507 PolarHBondContact O-N 3.31Å
508	R	91.9	Very high	95.4	Very high	124 Å²	124	50 Å²	50	47%	0.468	28%	0.276	S	S	.	.	S	Bend	trans	-105.3	177.4	178.3	-63.2	-169	-78.9	163.4	-9.5	111.4	E439 P504 F505 E506	E439-R508 VanDerWaalsContact CD-NH2 3.3Å; E439-R508 IonicContact OE1-CZ 3.75Å; E439-R508 IonicContact OE1-NH1 3.11Å; E439-R508 PolarHBondContact OE1-NH1 2.94Å; E439-R508 IonicContact OE1-NH2 2.98Å; E439-R508 PolarHBondContact OE1-NH2 3.31Å; E439-R508 VanDerWaalsContact OE1-NH2 3.1Å; E439-R508 IonicContact OE2-CZ 3.49Å; E439-R508 IonicContact OE2-NH1 3.57Å; E439-R508 IonicContact OE2-NH2 2.78Å; E439-R508 PolarHBondContact OE2-NH2 3.07Å; P504-R508 PolarHBondContact O-NE 2.91Å; P504-R508 PolarHBondContact O-NH2 3.31Å; F505-R508 PolarHBondContact O-N 3.43Å; E506-R508 PolarHBondContact O-N 3.4Å; E506-R508 VanDerWaalsContact O-N 3.07Å
509	T	90.6	Very high	95.5	Very high	100 Å²	100	48.1 Å²	48.1	61%	0.613	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-65.6	137.8	169.2	51.1	0	0	0	0	109.9
510	P	93.6	Very high	95.6	Very high	48 Å²	48	51.9 Å²	51.9	31%	0.312	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-53	154.4	172.3	-25.9	34.5	0	0	0	112.3	L490	L490-P510 WeakPolarHBondContact O-CB 3.14Å
511	P	96.3	Very high	95.6	Very high	6 Å²	6	51.4 Å²	51.4	4%	0.039	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-65.1	147.3	180	29.1	-34.8	0	0	0	110.9	T426 Y441 L490 F505 I514	T426-P511 CarbonylContact O-C 3.5Å; T426-P511 WeakPolarHBondContact O-CA 3.45Å; T426-P511 WeakPolarHBondContact O-CB 3.35Å; Y441-P511 WeakPolarHBondContact OH-CG 3.38Å; L490-P511 WeakPolarHBondContact CD2-O 3.35Å; F505-P511 HydrophobicContact CD2-CB 4.14Å; F505-P511 HydrophobicContact CD2-CG 3.96Å; F505-P511 HydrophobicContact CE1-CB 4.32Å; F505-P511 HydrophobicContact CE2-CB 3.83Å; F505-P511 HydrophobicContact CE2-CG 4.01Å; F505-P511 HydrophobicContact CZ-CB 3.95Å; P511-I514 HydrophobicContact CB-CG1 4.41Å; P511-I514 HydrophobicContact CG-CD1 3.93Å; P511-I514 HydrophobicContact CG-CG1 3.89Å
512	R	95.5	Very high	95.6	Very high	158 Å²	158	54.3 Å²	54.3	60%	0.596	27%	0.269	S	S	*	.	S	Bend	trans	-78.9	-29.7	172.9	-68.7	-172.2	178.5	-138	-0.5	112	T426 V427	T426-R512 PolarHBondContact O-N 3.44Å; V427-R512 WeakPolarHBondContact O-CD 3.26Å
513	W	97.4	Very high	95.7	Very high	37 Å²	37	50.9 Å²	50.9	14%	0.14	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	142.4	-178.4	-55.5	87.9	0	0	0	110.3	G425 T426 S428 P429 A431 W438 P548 L549 R550	G425-W513 CarbonylContact C-O 3.39Å; G425-W513 WeakPolarHBondContact CA-O 3.3Å; T426-W513 HydrophobicContact CG2-CB 3.83Å; T426-W513 HydrophobicContact CG2-CG 4.32Å; T426-W513 PolarHBondContact N-O 2.88Å; T426-W513 PolarHBondContact O-N 3.39Å; S428-W513 PolarHBondContact O-NE1 3.16Å; P429-W513 PolarHBondContact O-NE1 2.96Å; A431-W513 HydrophobicContact CB-CB 4.3Å; A431-W513 HydrophobicContact CB-CD2 3.55Å; A431-W513 HydrophobicContact CB-CE3 3.79Å; A431-W513 HydrophobicContact CB-CG 3.78Å; A431-W513 HydrophobicContact CB-CZ2 4.35Å; A431-W513 HydrophobicContact CB-CZ3 4.29Å; W438-W513 HydrophobicContact CH2-CB 3.68Å; W438-W513 HydrophobicContact CZ3-CB 4.21Å; W513-P548 HydrophobicContact CE3-CB 3.91Å; W513-P548 HydrophobicContact CZ3-CB 4.5Å; W513-L549 WeakPolarHBondContact CA-O 3.34Å; W513-R550 HydrophobicContact CD2-CG 3.52Å; W513-R550 HydrophobicContact CE3-CG 3.3Å; W513-R550 HydrophobicContact CG-CG 4.36Å; W513-R550 HydrophobicContact CH2-CG 3.61Å; W513-R550 VanDerWaalsContact CZ2-CD 3.44Å; W513-R550 HydrophobicContact CZ2-CG 3.83Å; W513-R550 HydrophobicContact CZ3-CG 3.35Å
514	I	97.7	Very high	95.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.3	168.7	-73.6	-173.8	0	0	0	109.4	Q424 Y441 A486 L489 L490 P511 F546 P548 L549	Q424-I514 CarbonylContact O-C 3.56Å; Q424-I514 VanDerWaalsContact O-CA 3.26Å; Q424-I514 WeakPolarHBondContact O-CA 3.35Å; Y441-I514 HydrophobicContact CE2-CD1 3.95Å; Y441-I514 HydrophobicContact CE2-CG1 4.5Å; A486-I514 HydrophobicContact CB-CG2 3.97Å; L489-I514 HydrophobicContact CB-CD1 3.2Å; L489-I514 HydrophobicContact CD1-CD1 4.24Å; L489-I514 HydrophobicContact CG-CD1 4.36Å; L490-I514 HydrophobicContact CD1-CB 4.4Å; L490-I514 HydrophobicContact CD2-CB 4.19Å; L490-I514 HydrophobicContact CD2-CD1 4.31Å; L490-I514 HydrophobicContact CD2-CG1 3.83Å; L490-I514 HydrophobicContact CG-CB 4.05Å; L490-I514 HydrophobicContact CG-CD1 3.84Å; L490-I514 HydrophobicContact CG-CG1 3.81Å; P511-I514 HydrophobicContact CB-CG1 4.41Å; P511-I514 HydrophobicContact CG-CD1 3.93Å; P511-I514 HydrophobicContact CG-CG1 3.89Å; I514-F546 HydrophobicContact CG2-CE2 4.32Å; I514-F546 HydrophobicContact CG2-CZ 4.29Å; I514-P548 CarbonylContact O-C 3.55Å; I514-P548 WeakPolarHBondContact O-CA 3.38Å; I514-L549 PolarHBondContact N-O 3.43Å; I514-L549 PolarHBondContact O-N 3.33Å
515	R	97.1	Very high	95.6	Very high	51 Å²	51	53.2 Å²	53.2	19%	0.192	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	157.8	172.3	71.1	-178.5	-177.4	-170.3	-0.2	110.8	Q424 W438 E517 F546 P548	Q424-R515 HydrophobicContact CB-CG 4.1Å; Q424-R515 PolarHBondContact N-O 2.64Å; Q424-R515 PolarHBondContact O-N 2.77Å; Q424-R515 VanDerWaalsContact OE1-CZ 3.25Å; W438-R515 HydrophobicContact CD2-CG 4.32Å; W438-R515 HydrophobicContact CE3-CG 3.77Å; W438-R515 VanDerWaalsContact CG-CZ 3.49Å; W438-R515 VanDerWaalsContact CG-NH2 3.31Å; W438-R515 HydrophobicContact CH2-CB 4.1Å; W438-R515 HydrophobicContact CH2-CG 3.92Å; W438-R515 HydrophobicContact CZ2-CG 4.46Å; W438-R515 HydrophobicContact CZ3-CB 4.01Å; W438-R515 HydrophobicContact CZ3-CG 3.56Å; R515-E517 HydrophobicContact CG-CG 4.16Å; R515-E517 IonicContact CZ-OE1 3.56Å; R515-E517 IonicContact NE-OE1 3.82Å; R515-E517 PolarHBondContact NE-OE1 3.04Å; R515-E517 IonicContact NH1-OE1 2.68Å; R515-F546 VanDerWaalsContact C-CE2 3.42Å; R515-P548 HydrophobicContact CB-CG 4.24Å
516	G	97.5	Very high	95.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.8	169.1	0	0	0	0	0	109.2	Y545 F546	G516-Y545 WeakPolarHBondContact O-CB 3.11Å; G516-Y545 PolarHBondContact O-N 2.81Å; G516-F546 PolarHBondContact N-O 3.27Å; G516-F546 PolarHBondContact O-N 3.18Å
517	E	97.2	Very high	95.5	Very high	5 Å²	5	51.5 Å²	51.5	2%	0.023	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	137.5	177.1	-74.9	-67.3	168.7	0	0	110.7	V421 I422 R515 Y519 R541	V421-E517 WeakPolarHBondContact CA-O 3.36Å; I422-E517 PolarHBondContact N-O 2.81Å; I422-E517 PolarHBondContact O-N 3.31Å; R515-E517 HydrophobicContact CG-CG 4.16Å; R515-E517 IonicContact CZ-OE1 3.56Å; R515-E517 IonicContact NE-OE1 3.82Å; R515-E517 PolarHBondContact NE-OE1 3.04Å; R515-E517 IonicContact NH1-OE1 2.68Å; E517-Y519 HydrophobicContact CB-CD2 4.12Å; E517-Y519 HydrophobicContact CB-CE2 3.46Å; E517-Y519 VanDerWaalsContact CB-CE2 3.46Å; E517-R541 VanDerWaalsContact CD-NH2 3.27Å; E517-R541 IonicContact OE1-CZ 3.2Å; E517-R541 IonicContact OE1-NE 2.64Å; E517-R541 IonicContact OE1-NH2 2.63Å; E517-R541 PolarHBondContact OE1-NH2 3.18Å; E517-R541 IonicContact OE2-CZ 2.68Å; E517-R541 IonicContact OE2-NE 3.03Å; E517-R541 PolarHBondContact OE2-NE 3.4Å; E517-R541 IonicContact OE2-NH2 3.98Å; E517-R541 PolarHBondContact OE2-NH2 2.97Å
518	H	96.4	Very high	95.7	Very high	38 Å²	38	49 Å²	49	18%	0.176	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.2	-178.2	-157.6	-157.5	0	0	0	110.4	T419 E420 A472 I542 G543	T419-H518 WeakPolarHBondContact CB-NE2 3.39Å; E420-H518 PolarHBondContact O-CD2 3.21Å; A472-H518 PolarHBondContact O-NE2 2.83Å; H518-I542 PolarHBondContact O-N 2.91Å; H518-G543 WeakPolarHBondContact CA-O 3.18Å; H518-G543 VanDerWaalsContact CB-O 3.29Å; H518-G543 WeakPolarHBondContact CB-O 3.48Å; H518-G543 PolarHBondContact N-O 3.2Å; H518-G543 PolarHBondContact O-N 3.33Å
519	Y	97.4	Very high	95.9	Very high	24 Å²	24	50.5 Å²	50.5	9%	0.094	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	143.2	-177.2	-73.9	-93.8	0	0	0	110.6	T419 E420 I422 E517 Y521 R539 K540 R541	T419-Y519 CarbonylContact C-O 3.53Å; T419-Y519 VanDerWaalsContact CA-O 3.28Å; T419-Y519 WeakPolarHBondContact CA-O 3.49Å; E420-Y519 PolarHBondContact N-O 3.41Å; E420-Y519 PolarHBondContact O-N 3.3Å; I422-Y519 HydrophobicContact CB-CD2 4.05Å; I422-Y519 HydrophobicContact CB-CE2 4.06Å; I422-Y519 HydrophobicContact CG1-CD2 3.6Å; I422-Y519 HydrophobicContact CG1-CE2 4.02Å; I422-Y519 HydrophobicContact CG1-CG 4.41Å; E517-Y519 HydrophobicContact CB-CD2 4.12Å; E517-Y519 HydrophobicContact CB-CE2 3.46Å; E517-Y519 VanDerWaalsContact CB-CE2 3.46Å; Y519-Y521 HydrophobicContact CG-CE2 4.36Å; Y519-R539 HydrophobicContact CD1-CB 4.31Å; Y519-R539 HydrophobicContact CD1-CG 4.2Å; Y519-K540 CarbonylContact C-O 3.29Å; Y519-K540 WeakPolarHBondContact CA-O 3.37Å; Y519-R541 HydrophobicContact CD1-CB 3.98Å; Y519-R541 HydrophobicContact CE1-CB 3.62Å; Y519-R541 HydrophobicContact CE1-CG 4.16Å
520	R	97.3	Very high	96.1	Very high	86 Å²	86	49.1 Å²	49.1	33%	0.325	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	127.5	164.7	-169.4	175.8	-70.7	154.9	-2.4	108.5	E417 R418 R539 K540 I542	E417-R520 VanDerWaalsContact CD-CZ 3.42Å; E417-R520 VanDerWaalsContact CD-NE 3.31Å; E417-R520 VanDerWaalsContact CD-NH2 3.32Å; E417-R520 IonicContact OE1-CZ 3.73Å; E417-R520 IonicContact OE1-NE 2.59Å; E417-R520 PolarHBondContact OE1-NE 3.49Å; E417-R520 IonicContact OE1-NH1 2.69Å; E417-R520 IonicContact OE1-NH2 3.16Å; E417-R520 PolarHBondContact OE1-NH2 3.37Å; E417-R520 IonicContact OE2-CZ 2.75Å; E417-R520 IonicContact OE2-NE 3.18Å; E417-R520 PolarHBondContact OE2-NE 2.85Å; E417-R520 IonicContact OE2-NH2 2.92Å; E417-R520 PolarHBondContact OE2-NH2 3.24Å; R418-R520 WeakPolarHBondContact O-CA 3.28Å; R520-R539 CarbonylContact O-C 3.5Å; R520-R539 VanDerWaalsContact O-CA 3.31Å; R520-R539 WeakPolarHBondContact O-CA 3.43Å; R520-K540 PolarHBondContact N-O 3.35Å; R520-K540 PolarHBondContact O-N 3.23Å; R520-I542 HydrophobicContact CB-CD1 3.83Å; R520-I542 HydrophobicContact CB-CG1 3.99Å
521	Y	97.1	Very high	96.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	146.6	174.5	-80.4	-108.4	0	0	0	110	R418 E420 I422 P447 G448 Y519 W537 I538 R539	R418-Y521 PolarHBondContact O-N 2.81Å; E420-Y521 HydrophobicContact CB-CD2 3.69Å; E420-Y521 HydrophobicContact CB-CE2 3.66Å; E420-Y521 HydrophobicContact CG-CD2 3.5Å; E420-Y521 HydrophobicContact CG-CE2 3.85Å; E420-Y521 HydrophobicContact CG-CG 4.08Å; I422-Y521 HydrophobicContact CD1-CE2 4.47Å; P447-Y521 HydrophobicContact CB-CD1 4.25Å; P447-Y521 HydrophobicContact CB-CE1 4.45Å; G448-Y521 WeakPolarHBondContact O-CE1 3.46Å; G448-Y521 VanDerWaalsContact O-CZ 3.3Å; G448-Y521 PolarHBondContact O-OH 3Å; Y519-Y521 HydrophobicContact CG-CE2 4.36Å; Y521-W537 HydrophobicContact CD1-CB 3.85Å; Y521-W537 HydrophobicContact CD1-CD2 4.1Å; Y521-W537 HydrophobicContact CD1-CE3 4.04Å; Y521-W537 HydrophobicContact CD1-CG 4.05Å; Y521-W537 HydrophobicContact CE1-CB 4.27Å; Y521-I538 CarbonylContact C-O 3.59Å; Y521-I538 WeakPolarHBondContact CA-O 3.35Å; Y521-R539 HydrophobicContact CD1-CB 4.14Å; Y521-R539 HydrophobicContact CD2-CB 4.21Å; Y521-R539 HydrophobicContact CE1-CB 3.82Å; Y521-R539 HydrophobicContact CE2-CB 3.9Å; Y521-R539 HydrophobicContact CG-CB 4.31Å; Y521-R539 VanDerWaalsContact OH-CD 3.26Å; Y521-R539 WeakPolarHBondContact OH-CD 3.48Å
522	K	96.9	Very high	96	Very high	114 Å²	114	52.9 Å²	52.9	50%	0.496	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	147	165.8	-68.3	-167.3	174.5	-168.5	0	109.2	E243 S524 W537 I538	E243-K522 VanDerWaalsContact OE2-CA 3.32Å; E243-K522 WeakPolarHBondContact OE2-CA 3.33Å; K522-S524 PolarHBondContact O-N 3.38Å; K522-W537 CarbonylContact O-C 3.58Å; K522-W537 WeakPolarHBondContact O-CA 3.49Å; K522-I538 PolarHBondContact N-O 3.39Å; K522-I538 PolarHBondContact O-N 3.29Å
523	F	97.1	Very high	96	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.009	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	139.4	168.1	-74.5	-42.5	0	0	0	109.8	E243 P248 Y253 H256 R257 P454 W537	E243-F523 VanDerWaalsContact CA-CE2 3.41Å; E243-F523 HydrophobicContact CB-CD2 3.76Å; E243-F523 HydrophobicContact CB-CE2 3.8Å; E243-F523 HydrophobicContact CG-CD2 3.86Å; E243-F523 HydrophobicContact CG-CE2 4.17Å; E243-F523 HydrophobicContact CG-CG 4.26Å; E243-F523 PolarHBondContact OE2-N 3.26Å; P248-F523 HydrophobicContact CB-CZ 3.88Å; P248-F523 HydrophobicContact CG-CE1 4.47Å; P248-F523 HydrophobicContact CG-CZ 4.19Å; Y253-F523 HydrophobicContact CD2-CB 3.76Å; Y253-F523 AromaticContact CD2-CD1 3.53Å; Y253-F523 HydrophobicContact CD2-CD1 3.53Å; Y253-F523 HydrophobicContact CD2-CD2 4.34Å; Y253-F523 HydrophobicContact CD2-CE1 4.08Å; Y253-F523 AromaticContact CD2-CG 3.65Å; Y253-F523 HydrophobicContact CD2-CG 3.65Å; Y253-F523 HydrophobicContact CE2-CB 3.9Å; Y253-F523 HydrophobicContact CE2-CD1 4.29Å; Y253-F523 HydrophobicContact CE2-CG 4.29Å; Y253-F523 HydrophobicContact CG-CD1 4.49Å; H256-F523 HydrophobicContact CB-CD2 3.94Å; H256-F523 HydrophobicContact CB-CE2 4.09Å; H256-F523 AromaticContact CD2-CD2 3.76Å; H256-F523 AromaticContact CG-CD2 3.89Å; R257-F523 PolarHBondContact NH2-O 3.41Å; P454-F523 HydrophobicContact CG-CE1 4.34Å; F523-W537 AromaticContact CD1-CD2 3.96Å; F523-W537 HydrophobicContact CD1-CD2 3.96Å; F523-W537 AromaticContact CD1-CE2 3.98Å; F523-W537 AromaticContact CD1-CE3 3.67Å; F523-W537 HydrophobicContact CD1-CE3 3.67Å; F523-W537 AromaticContact CD1-CH2 3.49Å; F523-W537 HydrophobicContact CD1-CH2 3.49Å; F523-W537 VanDerWaalsContact CD1-CH2 3.49Å; F523-W537 AromaticContact CD1-CZ2 3.78Å; F523-W537 HydrophobicContact CD1-CZ2 3.78Å; F523-W537 AromaticContact CD1-CZ3 3.42Å; F523-W537 HydrophobicContact CD1-CZ3 3.42Å; F523-W537 VanDerWaalsContact CD1-CZ3 3.42Å; F523-W537 HydrophobicContact CE1-CD2 4.26Å; F523-W537 AromaticContact CE1-CE2 3.81Å; F523-W537 HydrophobicContact CE1-CE3 4.12Å; F523-W537 AromaticContact CE1-CH2 3.06Å; F523-W537 HydrophobicContact CE1-CH2 3.06Å; F523-W537 AromaticContact CE1-CZ2 3.21Å; F523-W537 HydrophobicContact CE1-CZ2 3.21Å; F523-W537 AromaticContact CE1-CZ3 3.55Å; F523-W537 HydrophobicContact CE1-CZ3 3.55Å; F523-W537 HydrophobicContact CG-CE3 4.47Å; F523-W537 HydrophobicContact CG-CH2 4.44Å; F523-W537 HydrophobicContact CG-CZ3 4.14Å; F523-W537 AromaticContact CZ-CH2 3.68Å; F523-W537 HydrophobicContact CZ-CH2 3.68Å; F523-W537 HydrophobicContact CZ-CZ2 4.09Å; F523-W537 HydrophobicContact CZ-CZ3 4.28Å
524	S	96.8	Very high	95.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-63.8	161.2	165.3	67.9	0	0	0	0	110.3	Y253 R257 K522 K535 W536	Y253-S524 WeakPolarHBondContact CE2-O 3.36Å; Y253-S524 WeakPolarHBondContact CE2-OG 3.44Å; Y253-S524 PolarHBondContact OH-O 3.16Å; Y253-S524 VanDerWaalsContact OH-O 3.13Å; Y253-S524 PolarHBondContact OH-OG 3.02Å; R257-S524 VanDerWaalsContact NH2-C 3.28Å; R257-S524 PolarHBondContact NH2-O 2.98Å; K522-S524 PolarHBondContact O-N 3.38Å; S524-K535 VanDerWaalsContact CB-O 3.25Å; S524-K535 WeakPolarHBondContact CB-O 3.4Å; S524-K535 PolarHBondContact OG-O 2.97Å; S524-W536 PolarHBondContact N-O 2.84Å; S524-W536 PolarHBondContact OG-O 3.19Å
525	L	95.6	Very high	95.9	Very high	99 Å²	99	52.9 Å²	52.9	52%	0.518	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-85.7	124.7	175.6	-173.6	70.6	0	0	0	108.9	G527 G528 A531	L525-G527 PolarHBondContact O-N 2.74Å; L525-G528 WeakPolarHBondContact O-CA 3.41Å; L525-G528 PolarHBondContact O-N 3.4Å; L525-A531 WeakPolarHBondContact O-CB 3.12Å
526	P	93.8	Very high	95.9	Very high	49 Å²	49	52.6 Å²	52.6	32%	0.318	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	130	173.5	-21.1	28.1	0	0	0	110.7	Y253 Y254 R257 G528	Y253-P526 HydrophobicContact CD1-CG 4.38Å; Y253-P526 HydrophobicContact CE1-CB 4.22Å; Y253-P526 HydrophobicContact CE1-CG 3.59Å; Y254-P526 HydrophobicContact CD1-CG 4.41Å; R257-P526 HydrophobicContact CG-CG 3.98Å; P526-G528 PolarHBondContact O-N 3.3Å
527	G	92.1	Very high	95.9	Very high	72 Å²	72	52.9 Å²	52.9	74%	0.742	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	-3	-175.4	0	0	0	0	0	115.5	L525	L525-G527 PolarHBondContact O-N 2.74Å
528	G	93.9	Very high	95.9	Very high	17 Å²	17	55.8 Å²	55.8	18%	0.175	31%	0.306	C	S	.	.	S	Bend	trans	-80.2	169.6	172.8	0	0	0	0	0	112.9	L525 P526 H530 A531 T532	L525-G528 WeakPolarHBondContact O-CA 3.41Å; L525-G528 PolarHBondContact O-N 3.4Å; P526-G528 PolarHBondContact O-N 3.3Å; G528-H530 VanDerWaalsContact C-N 3.33Å; G528-H530 PolarHBondContact O-N 3.19Å; G528-A531 PolarHBondContact O-N 3.33Å; G528-T532 PolarHBondContact O-N 3.05Å; G528-T532 PolarHBondContact O-OG1 3.2Å
529	Q	95.9	Very high	95.9	Very high	155 Å²	155	57.9 Å²	57.9	72%	0.724	31%	0.312	S	S	*	.	H	α-helix	trans	-51	-45.8	-174.3	-66.2	-179.7	-3.2	0	0	113.9	T532 Q533	Q529-T532 VanDerWaalsContact C-OG1 3.31Å; Q529-T532 WeakPolarHBondContact CA-OG1 3.37Å; Q529-T532 PolarHBondContact O-N 3.39Å; Q529-T532 PolarHBondContact O-OG1 3.22Å; Q529-Q533 VanDerWaalsContact O-CG 3.32Å; Q529-Q533 WeakPolarHBondContact O-CG 3.42Å; Q529-Q533 PolarHBondContact O-N 3.48Å
530	H	95.3	Very high	95.9	Very high	70 Å²	70	63.9 Å²	63.9	32%	0.324	34%	0.339	S	S	.	.	H	α-helix	trans	-67.1	-41.7	179.1	-66.1	-51.4	0	0	0	112.8	G528 T532 Q533 G534 K535 I538	G528-H530 VanDerWaalsContact C-N 3.33Å; G528-H530 PolarHBondContact O-N 3.19Å; H530-T532 VanDerWaalsContact C-N 3.35Å; H530-Q533 WeakPolarHBondContact O-CB 3.33Å; H530-Q533 PolarHBondContact O-N 2.93Å; H530-Q533 VanDerWaalsContact O-N 3.15Å; H530-G534 PolarHBondContact O-N 2.91Å; H530-K535 HydrophobicContact CB-CB 4.21Å; H530-K535 HydrophobicContact CB-CD 4.37Å; H530-K535 WeakPolarHBondContact O-CB 3.37Å; H530-K535 PolarHBondContact O-N 2.83Å; H530-I538 HydrophobicContact CB-CG1 4.42Å; H530-I538 VanDerWaalsContact CD2-CD1 3.41Å; H530-I538 WeakPolarHBondContact CD2-CD1 3.47Å
531	A	94.1	Very high	95.9	Very high	27 Å²	27	65.7 Å²	65.7	22%	0.223	35%	0.345	C	S	.	.	H	α-helix	trans	-67.3	-36.5	177.7	0	0	0	0	0	111.6	L525 G528 Q533 G534 K535	L525-A531 WeakPolarHBondContact O-CB 3.12Å; G528-A531 PolarHBondContact O-N 3.33Å; A531-Q533 PolarHBondContact O-N 3.3Å; A531-G534 WeakPolarHBondContact O-CA 3.3Å; A531-G534 PolarHBondContact O-N 3.4Å; A531-K535 WeakPolarHBondContact CA-O 3.41Å
532	T	94.9	Very high	95.8	Very high	106 Å²	106	69.6 Å²	69.6	65%	0.65	37%	0.365	S	S	*	.	H	α-helix	trans	-65.3	-22.2	173.6	55	0	0	0	0	113.2	G528 Q529 H530 G534	G528-T532 PolarHBondContact O-N 3.05Å; G528-T532 PolarHBondContact O-OG1 3.2Å; Q529-T532 VanDerWaalsContact C-OG1 3.31Å; Q529-T532 WeakPolarHBondContact CA-OG1 3.37Å; Q529-T532 PolarHBondContact O-N 3.39Å; Q529-T532 PolarHBondContact O-OG1 3.22Å; H530-T532 VanDerWaalsContact C-N 3.35Å; T532-G534 VanDerWaalsContact C-N 3.28Å
533	Q	95.6	Very high	95.8	Very high	113 Å²	113	64.8 Å²	64.8	53%	0.528	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	2.6	170.9	-66.3	168.6	0.4	0	0	113	Q529 H530 A531	Q529-Q533 VanDerWaalsContact O-CG 3.32Å; Q529-Q533 WeakPolarHBondContact O-CG 3.42Å; Q529-Q533 PolarHBondContact O-N 3.48Å; H530-Q533 WeakPolarHBondContact O-CB 3.33Å; H530-Q533 PolarHBondContact O-N 2.93Å; H530-Q533 VanDerWaalsContact O-N 3.15Å; A531-Q533 PolarHBondContact O-N 3.3Å
534	G	95.2	Very high	95.7	Very high	37 Å²	37	69 Å²	69	38%	0.381	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	6.4	-177.7	0	0	0	0	0	115.4	H530 A531 T532	H530-G534 PolarHBondContact O-N 2.91Å; A531-G534 WeakPolarHBondContact O-CA 3.3Å; A531-G534 PolarHBondContact O-N 3.4Å; T532-G534 VanDerWaalsContact C-N 3.28Å
535	K	96.8	Very high	95.7	Very high	46 Å²	46	70.2 Å²	70.2	20%	0.2	38%	0.38	C	S	.	.			trans	-80.8	128.6	178	-65.5	176.1	174.7	172	0	111.4	P450 W451 S524 H530 A531	P450-K535 WeakPolarHBondContact O-CA 3.43Å; W451-K535 HydrophobicContact CD2-CG 3.99Å; W451-K535 VanDerWaalsContact CE2-CE 3.46Å; W451-K535 HydrophobicContact CG-CG 4.27Å; W451-K535 HydrophobicContact CZ2-CD 4.25Å; W451-K535 HydrophobicContact CZ2-CG 4.22Å; S524-K535 VanDerWaalsContact CB-O 3.25Å; S524-K535 WeakPolarHBondContact CB-O 3.4Å; S524-K535 PolarHBondContact OG-O 2.97Å; H530-K535 HydrophobicContact CB-CB 4.21Å; H530-K535 HydrophobicContact CB-CD 4.37Å; H530-K535 WeakPolarHBondContact O-CB 3.37Å; H530-K535 PolarHBondContact O-N 2.83Å; A531-K535 WeakPolarHBondContact CA-O 3.41Å
536	W	96.9	Very high	95.7	Very high	45 Å²	45	65.6 Å²	65.6	17%	0.17	36%	0.356	C	S	.	.	S	Bend	trans	-88.5	-27.8	170.9	-70.2	83	0	0	0	112	Y253 P450 Q453 P454 S524	Y253-W536 AromaticContact CD1-CE3 3.97Å; Y253-W536 HydrophobicContact CD1-CE3 3.97Å; Y253-W536 AromaticContact CD1-CZ3 3.65Å; Y253-W536 HydrophobicContact CD1-CZ3 3.65Å; Y253-W536 HydrophobicContact CD2-CE3 4.09Å; Y253-W536 HydrophobicContact CE1-CE3 4.21Å; Y253-W536 HydrophobicContact CE1-CZ3 4.06Å; Y253-W536 HydrophobicContact CE2-CE3 4.33Å; Y253-W536 AromaticContact CG-CE3 3.9Å; Y253-W536 HydrophobicContact CG-CE3 3.9Å; Y253-W536 AromaticContact CG-CZ3 3.93Å; Y253-W536 HydrophobicContact CG-CZ3 3.93Å; P450-W536 PolarHBondContact O-N 3.04Å; Q453-W536 HydrophobicContact CB-CD2 4.15Å; Q453-W536 HydrophobicContact CB-CG 4.41Å; Q453-W536 HydrophobicContact CB-CZ2 4Å; Q453-W536 HydrophobicContact CG-CD2 4.05Å; Q453-W536 HydrophobicContact CG-CE3 4.31Å; Q453-W536 HydrophobicContact CG-CH2 3.8Å; Q453-W536 HydrophobicContact CG-CZ2 3.49Å; Q453-W536 VanDerWaalsContact CG-CZ2 3.49Å; Q453-W536 HydrophobicContact CG-CZ3 4.2Å; P454-W536 HydrophobicContact CG-CE3 4.42Å; S524-W536 PolarHBondContact N-O 2.84Å; S524-W536 PolarHBondContact OG-O 3.19Å
537	W	97.3	Very high	95.8	Very high	5 Å²	5	66.7 Å²	66.7	2%	0.019	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	156.3	-178.7	-57.9	92.4	0	0	0	112.5	E243 P248 P447 P450 P454 Y521 K522 F523	E243-W537 HydrophobicContact CG-CZ3 4.22Å; P248-W537 HydrophobicContact CG-CH2 3.74Å; P248-W537 HydrophobicContact CG-CZ2 3.67Å; P447-W537 HydrophobicContact CB-CD2 4.49Å; P447-W537 HydrophobicContact CB-CH2 4.39Å; P447-W537 HydrophobicContact CB-CZ2 3.97Å; P447-W537 HydrophobicContact CG-CH2 3.88Å; P447-W537 HydrophobicContact CG-CZ2 3.55Å; P450-W537 HydrophobicContact CB-CB 4.4Å; P450-W537 WeakPolarHBondContact CB-O 3.44Å; P450-W537 PolarHBondContact O-N 3.39Å; P450-W537 VanDerWaalsContact O-N 3.09Å; P454-W537 HydrophobicContact CG-CZ2 4.28Å; Y521-W537 HydrophobicContact CD1-CB 3.85Å; Y521-W537 HydrophobicContact CD1-CD2 4.1Å; Y521-W537 HydrophobicContact CD1-CE3 4.04Å; Y521-W537 HydrophobicContact CD1-CG 4.05Å; Y521-W537 HydrophobicContact CE1-CB 4.27Å; K522-W537 CarbonylContact O-C 3.58Å; K522-W537 WeakPolarHBondContact O-CA 3.49Å; F523-W537 AromaticContact CD1-CD2 3.96Å; F523-W537 HydrophobicContact CD1-CD2 3.96Å; F523-W537 AromaticContact CD1-CE2 3.98Å; F523-W537 AromaticContact CD1-CE3 3.67Å; F523-W537 HydrophobicContact CD1-CE3 3.67Å; F523-W537 AromaticContact CD1-CH2 3.49Å; F523-W537 HydrophobicContact CD1-CH2 3.49Å; F523-W537 VanDerWaalsContact CD1-CH2 3.49Å; F523-W537 AromaticContact CD1-CZ2 3.78Å; F523-W537 HydrophobicContact CD1-CZ2 3.78Å; F523-W537 AromaticContact CD1-CZ3 3.42Å; F523-W537 HydrophobicContact CD1-CZ3 3.42Å; F523-W537 VanDerWaalsContact CD1-CZ3 3.42Å; F523-W537 HydrophobicContact CE1-CD2 4.26Å; F523-W537 AromaticContact CE1-CE2 3.81Å; F523-W537 HydrophobicContact CE1-CE3 4.12Å; F523-W537 AromaticContact CE1-CH2 3.06Å; F523-W537 HydrophobicContact CE1-CH2 3.06Å; F523-W537 AromaticContact CE1-CZ2 3.21Å; F523-W537 HydrophobicContact CE1-CZ2 3.21Å; F523-W537 AromaticContact CE1-CZ3 3.55Å; F523-W537 HydrophobicContact CE1-CZ3 3.55Å; F523-W537 HydrophobicContact CG-CE3 4.47Å; F523-W537 HydrophobicContact CG-CH2 4.44Å; F523-W537 HydrophobicContact CG-CZ3 4.14Å; F523-W537 AromaticContact CZ-CH2 3.68Å; F523-W537 HydrophobicContact CZ-CH2 3.68Å; F523-W537 HydrophobicContact CZ-CZ2 4.09Å; F523-W537 HydrophobicContact CZ-CZ3 4.28Å
538	I	96.9	Very high	96	Very high	67 Å²	67	65.5 Å²	65.5	34%	0.344	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	118.7	167.5	-53.6	167.8	0	0	0	105.6	Y521 K522 H530	Y521-I538 CarbonylContact C-O 3.59Å; Y521-I538 WeakPolarHBondContact CA-O 3.35Å; K522-I538 PolarHBondContact N-O 3.39Å; K522-I538 PolarHBondContact O-N 3.29Å; H530-I538 HydrophobicContact CB-CG1 4.42Å; H530-I538 VanDerWaalsContact CD2-CD1 3.41Å; H530-I538 WeakPolarHBondContact CD2-CD1 3.47Å
539	R	96.4	Very high	96.1	Very high	81 Å²	81	66 Å²	66	31%	0.306	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	139.1	177.6	75.7	178.4	-177.9	178.7	3.4	111.5	D440 P450 Y519 R520 Y521	D440-R539 IonicContact OD2-CZ 3.61Å; D440-R539 VanDerWaalsContact OD2-CZ 3.31Å; D440-R539 IonicContact OD2-NH1 3.17Å; D440-R539 PolarHBondContact OD2-NH1 3.05Å; D440-R539 IonicContact OD2-NH2 3.05Å; D440-R539 PolarHBondContact OD2-NH2 2.95Å; P450-R539 HydrophobicContact CG-CG 3.83Å; Y519-R539 HydrophobicContact CD1-CB 4.31Å; Y519-R539 HydrophobicContact CD1-CG 4.2Å; R520-R539 CarbonylContact O-C 3.5Å; R520-R539 VanDerWaalsContact O-CA 3.31Å; R520-R539 WeakPolarHBondContact O-CA 3.43Å; Y521-R539 HydrophobicContact CD1-CB 4.14Å; Y521-R539 HydrophobicContact CD2-CB 4.21Å; Y521-R539 HydrophobicContact CE1-CB 3.82Å; Y521-R539 HydrophobicContact CE2-CB 3.9Å; Y521-R539 HydrophobicContact CG-CB 4.31Å; Y521-R539 VanDerWaalsContact OH-CD 3.26Å; Y521-R539 WeakPolarHBondContact OH-CD 3.48Å
540	K	97.6	Very high	96	Very high	151 Å²	151	63.1 Å²	63.1	66%	0.657	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129	127.4	172.4	-179.4	178.5	177.5	179.7	0	109.3	Y519 R520 I542	Y519-K540 CarbonylContact C-O 3.29Å; Y519-K540 WeakPolarHBondContact CA-O 3.37Å; R520-K540 PolarHBondContact N-O 3.35Å; R520-K540 PolarHBondContact O-N 3.23Å; K540-I542 PolarHBondContact O-N 3.06Å
541	R	97.2	Very high	95.9	Very high	123 Å²	123	61.2 Å²	61.2	46%	0.464	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	130.8	175.3	-172.1	178.8	178.3	-100.4	1.3	110.1	E517 Y519	E517-R541 VanDerWaalsContact CD-NH2 3.27Å; E517-R541 IonicContact OE1-CZ 3.2Å; E517-R541 IonicContact OE1-NE 2.64Å; E517-R541 IonicContact OE1-NH2 2.63Å; E517-R541 PolarHBondContact OE1-NH2 3.18Å; E517-R541 IonicContact OE2-CZ 2.68Å; E517-R541 IonicContact OE2-NE 3.03Å; E517-R541 PolarHBondContact OE2-NE 3.4Å; E517-R541 IonicContact OE2-NH2 3.98Å; E517-R541 PolarHBondContact OE2-NH2 2.97Å; Y519-R541 HydrophobicContact CD1-CB 3.98Å; Y519-R541 HydrophobicContact CE1-CB 3.62Å; Y519-R541 HydrophobicContact CE1-CG 4.16Å
542	I	96.4	Very high	95.7	Very high	83 Å²	83	65.2 Å²	65.2	43%	0.426	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-45.5	175.4	-52.7	174	0	0	0	109.3	T419 H518 R520 K540	T419-I542 HydrophobicContact CG2-CD1 3.83Å; H518-I542 PolarHBondContact O-N 2.91Å; R520-I542 HydrophobicContact CB-CD1 3.83Å; R520-I542 HydrophobicContact CB-CG1 3.99Å; K540-I542 PolarHBondContact O-N 3.06Å
543	G	95.5	Very high	95.5	Very high	12 Å²	12	63.9 Å²	63.9	12%	0.124	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.9	-177.3	-177.8	0	0	0	0	0	112	H518	H518-G543 WeakPolarHBondContact CA-O 3.18Å; H518-G543 VanDerWaalsContact CB-O 3.29Å; H518-G543 WeakPolarHBondContact CB-O 3.48Å; H518-G543 PolarHBondContact N-O 3.2Å; H518-G543 PolarHBondContact O-N 3.33Å
544	P	95.9	Very high	95.4	Very high	91 Å²	91	58.9 Å²	58.9	59%	0.591	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	142	175.7	30.8	-34	0	0	0	110.9
545	Y	96.3	Very high	95.2	Very high	25 Å²	25	62 Å²	62	10%	0.098	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-46.2	170.1	-176.1	-107.2	0	0	0	111	V421 A471 Q474 T475 Y476 I482 G516	V421-Y545 HydrophobicContact CB-CD1 4.36Å; V421-Y545 HydrophobicContact CB-CG 4.45Å; V421-Y545 HydrophobicContact CG1-CD1 3.6Å; V421-Y545 HydrophobicContact CG1-CE1 4.16Å; V421-Y545 HydrophobicContact CG1-CG 3.95Å; V421-Y545 HydrophobicContact CG2-CD1 3.76Å; V421-Y545 HydrophobicContact CG2-CD2 3.56Å; V421-Y545 HydrophobicContact CG2-CE1 3.95Å; V421-Y545 HydrophobicContact CG2-CE2 3.73Å; V421-Y545 HydrophobicContact CG2-CG 3.59Å; A471-Y545 PolarHBondContact O-OH 2.86Å; A471-Y545 VanDerWaalsContact O-OH 3.05Å; Q474-Y545 VanDerWaalsContact O-CE2 3.31Å; Q474-Y545 WeakPolarHBondContact O-CE2 3.28Å; Q474-Y545 PolarHBondContact O-OH 3.39Å; T475-Y545 PolarHBondContact O-OH 3.06Å; Y476-Y545 WeakPolarHBondContact CD1-O 3.12Å; Y476-Y545 WeakPolarHBondContact CE1-O 3.45Å; Y476-Y545 PolarHBondContact N-OH 3.36Å; Y476-Y545 VanDerWaalsContact N-OH 3.16Å; I482-Y545 HydrophobicContact CD1-CE1 4.02Å; G516-Y545 WeakPolarHBondContact O-CB 3.11Å; G516-Y545 PolarHBondContact O-N 2.81Å
546	F	96	Very high	94.9	Very high	3 Å²	3	65.5 Å²	65.5	1%	0.013	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	150.7	165.6	63.4	-106	0	0	0	109.4	L423 Y476 I482 L483 A486 I514 R515 G516 L549	L423-F546 HydrophobicContact CD2-CE1 3.76Å; L423-F546 HydrophobicContact CD2-CZ 3.73Å; Y476-F546 HydrophobicContact CD1-CB 3.77Å; Y476-F546 HydrophobicContact CD2-CB 4.39Å; Y476-F546 HydrophobicContact CE1-CB 4.06Å; Y476-F546 HydrophobicContact CG-CB 3.97Å; I482-F546 HydrophobicContact CG2-CD1 4.25Å; I482-F546 HydrophobicContact CG2-CE1 3.65Å; L483-F546 HydrophobicContact CD2-CD1 4.45Å; L483-F546 HydrophobicContact CD2-CG 4.34Å; A486-F546 HydrophobicContact CB-CE2 4.43Å; A486-F546 HydrophobicContact CB-CZ 4.17Å; I514-F546 HydrophobicContact CG2-CE2 4.32Å; I514-F546 HydrophobicContact CG2-CZ 4.29Å; R515-F546 VanDerWaalsContact C-CE2 3.42Å; G516-F546 PolarHBondContact N-O 3.27Å; G516-F546 PolarHBondContact O-N 3.18Å; F546-L549 HydrophobicContact CD2-CD1 3.69Å; F546-L549 HydrophobicContact CD2-CG 4.12Å; F546-L549 HydrophobicContact CE2-CD1 3.83Å; F546-L549 HydrophobicContact CE2-CG 4.36Å
547	P	95.3	Very high	94.6	Very high	71 Å²	71	65.7 Å²	65.7	46%	0.461	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	168.2	-173.5	29.1	-36.5	0	0	0	112.4	L549	P547-L549 HydrophobicContact CG-CD2 4.31Å; P547-L549 WeakPolarHBondContact O-CG 3.44Å; P547-L549 PolarHBondContact O-N 3.04Å
548	P	96.6	Very high	94.3	Very high	47 Å²	47	65.5 Å²	65.5	31%	0.305	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	123.7	167.7	-26.2	36.4	0	0	0	112	A431 W438 W513 I514 R515	A431-P548 HydrophobicContact CB-CB 3.71Å; A431-P548 HydrophobicContact CB-CG 4.11Å; W438-P548 HydrophobicContact CH2-CB 4Å; W438-P548 HydrophobicContact CH2-CG 4.17Å; W438-P548 HydrophobicContact CZ2-CB 4.38Å; W438-P548 HydrophobicContact CZ2-CG 4.2Å; W513-P548 HydrophobicContact CE3-CB 3.91Å; W513-P548 HydrophobicContact CZ3-CB 4.5Å; I514-P548 CarbonylContact O-C 3.55Å; I514-P548 WeakPolarHBondContact O-CA 3.38Å; R515-P548 HydrophobicContact CB-CG 4.24Å
549	L	95.7	Very high	94	Very high	27 Å²	27	69.2 Å²	69.2	14%	0.141	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	142.5	179	-56.4	172.4	0	0	0	109.8	L483 W513 I514 F546 P547 L554	L483-L549 HydrophobicContact CD2-CD1 3.69Å; W513-L549 WeakPolarHBondContact CA-O 3.34Å; I514-L549 PolarHBondContact N-O 3.43Å; I514-L549 PolarHBondContact O-N 3.33Å; F546-L549 HydrophobicContact CD2-CD1 3.69Å; F546-L549 HydrophobicContact CD2-CG 4.12Å; F546-L549 HydrophobicContact CE2-CD1 3.83Å; F546-L549 HydrophobicContact CE2-CG 4.36Å; P547-L549 HydrophobicContact CG-CD2 4.31Å; P547-L549 WeakPolarHBondContact O-CG 3.44Å; P547-L549 PolarHBondContact O-N 3.04Å; L549-L554 HydrophobicContact CB-CD1 4.3Å; L549-L554 HydrophobicContact CD1-CD1 4.3Å; L549-L554 HydrophobicContact CD1-CD2 4.01Å
550	R	94.8	Very high	93.8	Very high	96 Å²	96	70.3 Å²	70.3	36%	0.362	35%	0.345	S	S	.	.			trans	-103.7	164.8	162.4	-57.6	175.1	-72.2	-175.3	8.2	110.8	W513 E552 D553 L554	W513-R550 HydrophobicContact CD2-CG 3.52Å; W513-R550 HydrophobicContact CE3-CG 3.3Å; W513-R550 HydrophobicContact CG-CG 4.36Å; W513-R550 HydrophobicContact CH2-CG 3.61Å; W513-R550 VanDerWaalsContact CZ2-CD 3.44Å; W513-R550 HydrophobicContact CZ2-CG 3.83Å; W513-R550 HydrophobicContact CZ3-CG 3.35Å; R550-E552 VanDerWaalsContact C-N 3.27Å; R550-E552 WeakPolarHBondContact CB-OE2 3.49Å; R550-E552 PolarHBondContact O-N 3.21Å; R550-D553 VanDerWaalsContact CB-OD2 3.27Å; R550-D553 WeakPolarHBondContact CB-OD2 3.49Å; R550-D553 IonicContact CZ-OD1 2.75Å; R550-D553 IonicContact CZ-OD2 3.31Å; R550-D553 PolarHBondContact N-OD2 3.2Å; R550-D553 IonicContact NE-OD1 3.72Å; R550-D553 IonicContact NE-OD2 2.77Å; R550-D553 PolarHBondContact NE-OD2 3.06Å; R550-D553 VanDerWaalsContact NE-OD2 3.11Å; R550-D553 IonicContact NH2-OD1 2.86Å; R550-D553 PolarHBondContact NH2-OD1 3.44Å; R550-D553 IonicContact NH2-OD2 3.31Å; R550-D553 PolarHBondContact O-N 3.37Å; R550-L554 PolarHBondContact O-N 3.45Å
551	L	92.8	Very high	93.4	Very high	29 Å²	29	66.2 Å²	66.2	15%	0.152	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-37	179.1	-172.5	60.2	0	0	0	111.3	L490 A491 D553 L554 K555	L490-L551 HydrophobicContact CB-CB 4.25Å; L490-L551 HydrophobicContact CB-CD1 4.37Å; A491-L551 HydrophobicContact CB-CD2 4.3Å; L551-D553 VanDerWaalsContact C-N 3.32Å; L551-D553 PolarHBondContact O-N 3.27Å; L551-L554 PolarHBondContact O-N 3.46Å; L551-K555 PolarHBondContact O-N 3.2Å
552	E	90.8	Very high	93.1	Very high	111 Å²	111	66.3 Å²	66.3	52%	0.519	33%	0.331	S	S	.	.	H	α-helix	trans	-62	-39.8	176.7	-65.9	74.2	-159	0	0	112.5	R550 L554 K555	R550-E552 VanDerWaalsContact C-N 3.27Å; R550-E552 WeakPolarHBondContact CB-OE2 3.49Å; R550-E552 PolarHBondContact O-N 3.21Å; E552-L554 PolarHBondContact O-N 2.55Å; E552-K555 PolarHBondContact O-N 3.43Å
553	D	90.1	Very high	92.7	Very high	79 Å²	79	63.7 Å²	63.7	42%	0.422	32%	0.316	S	S	.	.	H	α-helix	trans	-68	-22.6	-177.6	-50.4	-41.7	0	0	0	111.1	R550 L551	R550-D553 VanDerWaalsContact CB-OD2 3.27Å; R550-D553 WeakPolarHBondContact CB-OD2 3.49Å; R550-D553 IonicContact CZ-OD1 2.75Å; R550-D553 IonicContact CZ-OD2 3.31Å; R550-D553 PolarHBondContact N-OD2 3.2Å; R550-D553 IonicContact NE-OD1 3.72Å; R550-D553 IonicContact NE-OD2 2.77Å; R550-D553 PolarHBondContact NE-OD2 3.06Å; R550-D553 VanDerWaalsContact NE-OD2 3.11Å; R550-D553 IonicContact NH2-OD1 2.86Å; R550-D553 PolarHBondContact NH2-OD1 3.44Å; R550-D553 IonicContact NH2-OD2 3.31Å; R550-D553 PolarHBondContact O-N 3.37Å; L551-D553 VanDerWaalsContact C-N 3.32Å; L551-D553 PolarHBondContact O-N 3.27Å
554	L	92.4	Very high	92.2	Very high	7 Å²	7	65.4 Å²	65.4	4%	0.037	33%	0.325	C	S	.	.	H	α-helix	trans	-93.1	-7.9	179.5	-65.7	170.3	0	0	0	114.4	L490 L549 R550 L551 E552 E556 Y557 F558	L490-L554 HydrophobicContact CD1-CD1 4.07Å; L549-L554 HydrophobicContact CB-CD1 4.3Å; L549-L554 HydrophobicContact CD1-CD1 4.3Å; L549-L554 HydrophobicContact CD1-CD2 4.01Å; R550-L554 PolarHBondContact O-N 3.45Å; L551-L554 PolarHBondContact O-N 3.46Å; E552-L554 PolarHBondContact O-N 2.55Å; L554-E556 PolarHBondContact O-N 3.34Å; L554-Y557 WeakPolarHBondContact O-CB 3.27Å; L554-Y557 PolarHBondContact O-N 2.8Å; L554-F558 HydrophobicContact CB-CE1 4.41Å; L554-F558 HydrophobicContact CB-CE2 4.2Å; L554-F558 HydrophobicContact CB-CZ 4.09Å; L554-F558 HydrophobicContact CD1-CZ 4.25Å; L554-F558 PolarHBondContact O-N 3.27Å
555	K	91.1	Very high	91.7	Very high	104 Å²	104	65.5 Å²	65.5	45%	0.452	32%	0.32	S	S	.	.	H	α-helix	trans	-59.5	-48.4	-175.2	-74.3	179.9	179.9	174.4	0	112.7	L551 E552 Y557 F558 K559 L565	L551-K555 PolarHBondContact O-N 3.2Å; E552-K555 PolarHBondContact O-N 3.43Å; K555-Y557 VanDerWaalsContact C-N 3.32Å; K555-F558 PolarHBondContact O-N 3.43Å; K555-K559 WeakPolarHBondContact O-CB 3.27Å; K555-K559 PolarHBondContact O-N 3.21Å; K555-L565 HydrophobicContact CB-CD2 4.38Å; K555-L565 HydrophobicContact CG-CD2 4.3Å
556	E	90.6	Very high	91.1	Very high	119 Å²	119	64.8 Å²	64.8	56%	0.556	32%	0.318	S	S	*	.	H	α-helix	trans	-66.9	-39.2	179	-169.2	59.2	-157.5	0	0	110.8	L554 F558 K559 T560	L554-E556 PolarHBondContact O-N 3.34Å; E556-F558 VanDerWaalsContact C-N 3.32Å; E556-F558 PolarHBondContact O-N 3.34Å; E556-K559 PolarHBondContact O-N 2.98Å; E556-K559 VanDerWaalsContact O-N 3.16Å; E556-T560 PolarHBondContact O-N 3.09Å; E556-T560 PolarHBondContact O-OG1 2.93Å
557	Y	90.4	Very high	90.2	Very high	49 Å²	49	71.3 Å²	71.3	19%	0.192	35%	0.349	C	S	.	.	H	α-helix	trans	-58.4	-41.3	177.7	-174.6	-88.8	0	0	0	112.7	E480 L483 L554 K555 R561 W563	E480-Y557 VanDerWaalsContact CB-OH 3.29Å; E480-Y557 WeakPolarHBondContact CB-OH 3.2Å; E480-Y557 VanDerWaalsContact CG-OH 3.32Å; E480-Y557 WeakPolarHBondContact CG-OH 3.28Å; L483-Y557 HydrophobicContact CB-CE1 4.02Å; L483-Y557 HydrophobicContact CD1-CE1 4Å; L483-Y557 HydrophobicContact CD1-CE2 3.91Å; L554-Y557 WeakPolarHBondContact O-CB 3.27Å; L554-Y557 PolarHBondContact O-N 2.8Å; K555-Y557 VanDerWaalsContact C-N 3.32Å; Y557-R561 VanDerWaalsContact CE2-NH2 3.26Å; Y557-R561 VanDerWaalsContact CZ-NE 3.33Å; Y557-R561 PolarHBondContact O-NH1 3.13Å; Y557-R561 VanDerWaalsContact OH-CZ 3.28Å; Y557-R561 PolarHBondContact OH-NE 2.99Å; Y557-R561 PolarHBondContact OH-NH2 3.28Å; Y557-W563 AromaticContact CE1-CZ3 3.86Å; Y557-W563 HydrophobicContact CE1-CZ3 3.86Å
558	F	92.1	Very high	88.8	Confident	1 Å²	1	72 Å²	72	0%	0.004	35%	0.353	C	S	.	.	H	α-helix	trans	-72.7	-39.6	175.2	-66.8	-12.9	0	0	0	112.4	H484 L554 K555 E556 T560 R561 E562 W563 L565 P566	H484-F558 HydrophobicContact CB-CE1 4.31Å; H484-F558 AromaticContact CD2-CZ 3.91Å; L554-F558 HydrophobicContact CB-CE1 4.41Å; L554-F558 HydrophobicContact CB-CE2 4.2Å; L554-F558 HydrophobicContact CB-CZ 4.09Å; L554-F558 HydrophobicContact CD1-CZ 4.25Å; L554-F558 PolarHBondContact O-N 3.27Å; K555-F558 PolarHBondContact O-N 3.43Å; E556-F558 VanDerWaalsContact C-N 3.32Å; E556-F558 PolarHBondContact O-N 3.34Å; F558-T560 PolarHBondContact O-N 2.99Å; F558-R561 CarbonylContact O-C 3.5Å; F558-R561 PolarHBondContact O-N 3.48Å; F558-R561 VanDerWaalsContact O-N 3.16Å; F558-E562 PolarHBondContact O-N 3.03Å; F558-W563 HydrophobicContact CB-CB 4.29Å; F558-W563 AromaticContact CD1-CE3 3.74Å; F558-W563 HydrophobicContact CD1-CE3 3.74Å; F558-W563 HydrophobicContact CD1-CZ3 4.41Å; F558-W563 HydrophobicContact CE1-CE3 4.03Å; F558-W563 HydrophobicContact CE1-CZ3 4.4Å; F558-W563 PolarHBondContact O-N 3.16Å; F558-L565 HydrophobicContact CB-CD2 3.87Å; F558-L565 HydrophobicContact CD2-CD2 4.05Å; F558-L565 HydrophobicContact CG-CD2 4.48Å; F558-P566 VanDerWaalsContact CD2-CD 3.44Å; F558-P566 HydrophobicContact CD2-CG 4.26Å; F558-P566 HydrophobicContact CE2-CG 3.69Å
559	K	91.3	Very high	86.9	Confident	144 Å²	144	74 Å²	74	63%	0.626	37%	0.366	S	S	*	.	H	α-helix	trans	-60.9	-44.7	177.4	-171.5	-176.2	176.1	-168.2	0	112.1	K555 E556 R561 E562	K555-K559 WeakPolarHBondContact O-CB 3.27Å; K555-K559 PolarHBondContact O-N 3.21Å; E556-K559 PolarHBondContact O-N 2.98Å; E556-K559 VanDerWaalsContact O-N 3.16Å; K559-R561 PolarHBondContact O-N 3.16Å; K559-E562 PolarHBondContact O-N 3.24Å; K559-E562 VanDerWaalsContact O-N 3.13Å
560	T	90.4	Very high	84.8	Confident	104 Å²	104	76.3 Å²	76.3	64%	0.638	39%	0.385	S	S	*	.	H	α-helix	trans	-62	-26.4	177.4	-48.7	0	0	0	0	112.9	E556 F558	E556-T560 PolarHBondContact O-N 3.09Å; E556-T560 PolarHBondContact O-OG1 2.93Å; F558-T560 PolarHBondContact O-N 2.99Å
561	R	89.5	Confident	82.5	Confident	65 Å²	65	83.6 Å²	83.6	25%	0.245	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	2.6	179.5	-72.2	168.8	178.9	70.5	4.4	113.4	L89 E480 Y557 F558 K559 W563	L89-R561 WeakPolarHBondContact CD2-O 3.46Å; E480-R561 IonicContact OE1-CZ 2.77Å; E480-R561 IonicContact OE1-NE 3.73Å; E480-R561 IonicContact OE1-NH2 3.9Å; E480-R561 PolarHBondContact OE1-NH2 3.5Å; E480-R561 IonicContact OE2-CZ 3.47Å; E480-R561 IonicContact OE2-NE 2.93Å; E480-R561 PolarHBondContact OE2-NE 3.3Å; E480-R561 IonicContact OE2-NH2 3.1Å; E480-R561 PolarHBondContact OE2-NH2 2.92Å; Y557-R561 VanDerWaalsContact CE2-NH2 3.26Å; Y557-R561 VanDerWaalsContact CZ-NE 3.33Å; Y557-R561 PolarHBondContact O-NH1 3.13Å; Y557-R561 VanDerWaalsContact OH-CZ 3.28Å; Y557-R561 PolarHBondContact OH-NE 2.99Å; Y557-R561 PolarHBondContact OH-NH2 3.28Å; F558-R561 CarbonylContact O-C 3.5Å; F558-R561 PolarHBondContact O-N 3.48Å; F558-R561 VanDerWaalsContact O-N 3.16Å; K559-R561 PolarHBondContact O-N 3.16Å; R561-W563 HydrophobicContact CB-CD2 3.91Å; R561-W563 HydrophobicContact CB-CE3 4.38Å; R561-W563 HydrophobicContact CB-CG 4.03Å; R561-W563 PolarHBondContact O-N 2.8Å; R561-W563 VanDerWaalsContact O-N 3.09Å
562	E	90.5	Very high	79.8	Confident	125 Å²	125	90.6 Å²	90.6	58%	0.584	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	27.1	-174.1	-54.4	-174.1	-177.6	0	0	113.6	L89 F558 K559	L89-E562 HydrophobicContact CD1-CB 3.87Å; L89-E562 HydrophobicContact CD2-CB 4.26Å; F558-E562 PolarHBondContact O-N 3.03Å; K559-E562 PolarHBondContact O-N 3.24Å; K559-E562 VanDerWaalsContact O-N 3.13Å
563	W	88.9	Confident	77.2	Confident	28 Å²	28	90.9 Å²	90.9	11%	0.106	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-77.1	139.9	175.9	-71.6	-10.1	0	0	0	110.3	L85 E480 H484 Y557 F558 R561 L565	L85-W563 HydrophobicContact CD2-CZ2 4.36Å; E480-W563 HydrophobicContact CB-CH2 3.93Å; H484-W563 HydrophobicContact CB-CE3 3.67Å; H484-W563 HydrophobicContact CB-CH2 4.3Å; H484-W563 HydrophobicContact CB-CZ3 3.55Å; H484-W563 AromaticContact CG-CE3 3.6Å; H484-W563 AromaticContact ND1-CD2 3.76Å; H484-W563 AromaticContact ND1-CE3 3.73Å; Y557-W563 AromaticContact CE1-CZ3 3.86Å; Y557-W563 HydrophobicContact CE1-CZ3 3.86Å; F558-W563 HydrophobicContact CB-CB 4.29Å; F558-W563 AromaticContact CD1-CE3 3.74Å; F558-W563 HydrophobicContact CD1-CE3 3.74Å; F558-W563 HydrophobicContact CD1-CZ3 4.41Å; F558-W563 HydrophobicContact CE1-CE3 4.03Å; F558-W563 HydrophobicContact CE1-CZ3 4.4Å; F558-W563 PolarHBondContact O-N 3.16Å; R561-W563 HydrophobicContact CB-CD2 3.91Å; R561-W563 HydrophobicContact CB-CE3 4.38Å; R561-W563 HydrophobicContact CB-CG 4.03Å; R561-W563 PolarHBondContact O-N 2.8Å; R561-W563 VanDerWaalsContact O-N 3.09Å; W563-L565 PolarHBondContact O-N 3.08Å
564	P	85.6	Confident	74.5	Confident	49 Å²	49	101.2 Å²	101.2	32%	0.318	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-55.7	124.7	174.2	-23	32.5	0	0	0	110.4	P86 P566	P86-P564 HydrophobicContact CG-CG 4.19Å; P564-P566 VanDerWaalsContact O-CD 3.27Å; P564-P566 WeakPolarHBondContact O-CD 3.42Å
565	L	85.4	Confident	73.6	Confident	92 Å²	92	106 Å²	106	48%	0.482	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-62.3	124.1	173.9	-72.5	171.1	0	0	0	108.8	K555 F558 W563 E567	K555-L565 HydrophobicContact CB-CD2 4.38Å; K555-L565 HydrophobicContact CG-CD2 4.3Å; F558-L565 HydrophobicContact CB-CD2 3.87Å; F558-L565 HydrophobicContact CD2-CD2 4.05Å; F558-L565 HydrophobicContact CG-CD2 4.48Å; W563-L565 PolarHBondContact O-N 3.08Å; L565-E567 PolarHBondContact O-N 2.98Å
566	P	82.9	Confident	72.7	Confident	10 Å²	10	106.1 Å²	106.1	7%	0.065	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-64.2	119.4	173.3	-23.7	36.4	0	0	0	109.7	K488 A491 F558 P564	K488-P566 HydrophobicContact CG-CB 4.15Å; K488-P566 HydrophobicContact CG-CG 3.73Å; A491-P566 HydrophobicContact CB-CB 3.43Å; A491-P566 VanDerWaalsContact CB-CB 3.43Å; F558-P566 VanDerWaalsContact CD2-CD 3.44Å; F558-P566 HydrophobicContact CD2-CG 4.26Å; F558-P566 HydrophobicContact CE2-CG 3.69Å; P564-P566 VanDerWaalsContact O-CD 3.27Å; P564-P566 WeakPolarHBondContact O-CD 3.42Å
567	E	76.4	Confident	71.7	Confident	140 Å²	140	105.3 Å²	105.3	65%	0.654	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-96.2	139.7	175.9	-68.7	-176.4	172.5	0	0	109.9	L565	L565-E567 PolarHBondContact O-N 2.98Å
568	P	66.4	Low	70.6	Confident	86 Å²	86	108.6 Å²	108.6	56%	0.558	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-58.4	146.9	171	-10.2	21	0	0	0	109.9	A491 S570	A491-P568 WeakPolarHBondContact O-CA 3.32Å; P568-S570 PolarHBondContact O-N 3.11Å; P568-S570 VanDerWaalsContact O-N 3.08Å
569	P	57.7	Low	69.3	Low	88 Å²	88	115.4 Å²	115.4	57%	0.571	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-53.3	123.1	174.6	20	-30.7	0	0	0	109.5	A491 R571	A491-P569 WeakPolarHBondContact O-CD 3.43Å; P569-R571 PolarHBondContact O-N 3.43Å
570	S	50.6	Low	67.8	Low	77 Å²	77	113.5 Å²	113.5	54%	0.538	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-60.6	137	177.5	64.5	0	0	0	0	108.4	P568 H572	P568-S570 PolarHBondContact O-N 3.11Å; P568-S570 VanDerWaalsContact O-N 3.08Å; S570-H572 PolarHBondContact O-N 3.02Å
571	R	47	Very low	66.2	Low	248 Å²	248	114.1 Å²	114.1	94%	0.936	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	4.5	-177.3	-73.1	-177	176.9	-178.9	-0.8	114.3	P569	P569-R571 PolarHBondContact O-N 3.43Å
572	H	35.9	Very low	64.4	Low	177 Å²	177	117.9 Å²	117.9	82%	0.819	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	1.4	-172.1	-70.8	-54.7	0	0	0	115.4	S570	S570-H572 PolarHBondContact O-N 3.02Å
573	T	36.5	Very low	62.2	Low	116 Å²	116	117.3 Å²	117.3	71%	0.712	57%	0.573	S	S	*	*			trans	-126.6	81.6	171.6	49.2	0	0	0	0	109.9
574	R	33.6	Very low	59.8	Low	297 Å²	297	125.5 Å²	125.5	100%	1.121	62%	0.616	S	S	*	*			trans	-123	0	157.7	-97.7	-167.8	-168.4	-169.9	2.2	108.5

Retrieved 574 of 574 residues in 169.4 ms (Link to these results)

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