A0A060XSH3_ONCMY Loading...

DCN1-like protein

AlphaFold DB , UniProt , Accession A0A060XSH3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene dcnl1, Length 290 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	38.5	Very low	32.8	Very low	230 Å²	230	130.9 Å²	130.9	100%	1.133	77%	0.771	S	S	*	*				0	59.4	0	-69.5	-167.9	-80	0	0	107
2	T	24.8	Very low	33.1	Very low	139 Å²	139	131 Å²	131	85%	0.853	76%	0.758	S	S	*	*				47.2	104.5	70.4	29.8	0	0	0	0	112.9
3	G	27.2	Very low	33.6	Very low	66 Å²	66	134.8 Å²	134.8	68%	0.68	75%	0.752	S	S	*	*			trans	84.4	145.7	137.3	0	0	0	0	0	116.9
4	I	26.7	Very low	34	Very low	174 Å²	174	136.7 Å²	136.7	89%	0.892	75%	0.749	S	S	*	*	S	Bend	trans	84.2	104.5	169	-44.4	157.7	0	0	0	111.2
5	C	25.8	Very low	34.1	Very low	88 Å²	88	138.7 Å²	138.7	60%	0.595	75%	0.747	S	S	*	*			cis	-149.6	86.5	24.4	-164.2	0	0	0	0	109.6	V7	C5-V7 VanDerWaalsContact C-N 3.34Å
6	C	35.5	Very low	34.4	Very low	120 Å²	120	135.2 Å²	135.2	81%	0.811	73%	0.731	S	S	*	*	S	Bend	trans	-101	62	156.7	-163.7	0	0	0	0	106.8
7	V	36.6	Very low	34.5	Very low	122 Å²	122	135.9 Å²	135.9	74%	0.739	73%	0.729	S	S	*	*			trans	-151.9	70.1	168.9	-171.7	0	0	0	0	107.9	C5	C5-V7 VanDerWaalsContact C-N 3.34Å
8	Q	30.7	Very low	34.7	Very low	148 Å²	148	137.2 Å²	137.2	69%	0.692	73%	0.73	S	S	*	*	S	Bend	trans	-157.3	46.3	161.4	-120.3	153.8	-33.4	0	0	111.2
9	T	43	Very low	34.7	Very low	92 Å²	92	134.3 Å²	134.3	56%	0.564	72%	0.721	S	S	*	*	S	Bend	trans	-136.2	16.5	178.7	28.1	0	0	0	0	114.8
10	A	37.8	Very low	34.8	Very low	86 Å²	86	133.4 Å²	133.4	71%	0.711	71%	0.713	S	S	*	*	S	Bend	trans	-134.9	1.1	-179	0	0	0	0	0	116.7
11	H	34.4	Very low	34.9	Very low	175 Å²	175	131.2 Å²	131.2	81%	0.81	71%	0.713	S	S	*	*	S	Bend	trans	-122.9	-8.7	177.9	-123.8	48.5	0	0	0	115.8
12	E	36	Very low	34.7	Very low	132 Å²	132	124.9 Å²	124.9	62%	0.617	70%	0.697	S	S	*	*	S	Bend	trans	-103.7	-12.8	172	-84.4	149.1	154.4	0	0	113.7	K14	E12-K14 VanDerWaalsContact C-N 3.34Å; E12-K14 PolarHBondContact O-N 3.36Å
13	R	40.1	Very low	35.2	Very low	181 Å²	181	121.3 Å²	121.3	68%	0.683	69%	0.688	S	S	*	*	H	α-helix	trans	-76.3	-16	174.2	-75.7	-174.6	-179.1	-173.7	0.3	114.6
14	K	38.7	Very low	35.3	Very low	161 Å²	161	128.6 Å²	128.6	70%	0.7	70%	0.696	S	S	*	*	H	α-helix	trans	-94.8	-8.3	175.8	-112.6	-176.3	178.2	-175	0	114.9	E12	E12-K14 VanDerWaalsContact C-N 3.34Å; E12-K14 PolarHBondContact O-N 3.36Å
15	K	36.4	Very low	35.6	Very low	167 Å²	167	129.5 Å²	129.5	73%	0.726	70%	0.696	S	S	*	*	H	α-helix	trans	-100.7	-18.1	177.6	-100.6	-176.7	176	-178.7	0	114.1	S19	K15-S19 PolarHBondContact O-OG 3.33Å
16	V	37.8	Very low	36.1	Very low	82 Å²	82	135.3 Å²	135.3	50%	0.497	71%	0.711	S	S	.	*	H	α-helix	trans	-83.1	-37.7	173.6	-177.8	0	0	0	0	110.7	E18 S19 E20	V16-E18 VanDerWaalsContact C-N 3.32Å; V16-E18 PolarHBondContact O-N 3.38Å; V16-S19 PolarHBondContact O-N 2.97Å; V16-S19 PolarHBondContact O-OG 3.47Å; V16-E20 PolarHBondContact O-N 2.72Å
17	E	37.2	Very low	35.9	Very low	148 Å²	148	133.4 Å²	133.4	69%	0.692	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-20.7	176.6	-73.9	-179.3	153.6	0	0	114.5
18	E	38.4	Very low	35.7	Very low	158 Å²	158	133.2 Å²	133.2	74%	0.738	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	-5.1	176.3	-76.5	-178.7	169.3	0	0	114	V16	V16-E18 VanDerWaalsContact C-N 3.32Å; V16-E18 PolarHBondContact O-N 3.38Å
19	S	34.2	Very low	35.8	Very low	82 Å²	82	137.2 Å²	137.2	57%	0.573	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-17	174.5	53.5	0	0	0	0	114	K15 V16	K15-S19 PolarHBondContact O-OG 3.33Å; V16-S19 PolarHBondContact O-N 2.97Å; V16-S19 PolarHBondContact O-OG 3.47Å
20	E	35.8	Very low	35.4	Very low	117 Å²	117	136.5 Å²	136.5	55%	0.547	73%	0.728	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.2	-9.2	171	-78	-177	126	0	0	114	V16	V16-E20 PolarHBondContact O-N 2.72Å
21	A	36.6	Very low	35.5	Very low	88 Å²	88	138.5 Å²	138.5	73%	0.727	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-3.3	177.8	0	0	0	0	0	114.9
22	A	36.2	Very low	36.1	Very low	96 Å²	96	135.2 Å²	135.2	79%	0.793	72%	0.718	S	S	*	*	S	Bend	trans	-120	6	-174.8	0	0	0	0	0	115.1
23	G	35.1	Very low	37	Very low	65 Å²	65	132 Å²	132	67%	0.67	71%	0.705	S	S	*	*	S	Bend	trans	-115	-4.2	-172	0	0	0	0	0	117.2
24	W	28.4	Very low	37.9	Very low	219 Å²	219	126 Å²	126	83%	0.83	69%	0.686	S	S	*	*			trans	-114.2	23.7	-165	-116.6	-47	0	0	0	117.3
25	E	32.4	Very low	39.1	Very low	193 Å²	193	125.4 Å²	125.4	90%	0.902	69%	0.69	S	S	*	*	S	Bend	trans	-105.7	22.8	173.4	-97.6	-163.2	160.6	0	0	115.3
26	K	37	Very low	40.8	Very low	209 Å²	209	125.1 Å²	125.1	91%	0.909	69%	0.689	S	S	*	*	S	Bend	trans	-134.3	91.8	168.9	-74.3	-173.1	-179.5	177.2	0	111.8
27	G	31.9	Very low	42.8	Very low	80 Å²	80	122.8 Å²	122.8	83%	0.825	67%	0.673	S	S	*	*	S	Bend	trans	155.6	65.5	164.9	0	0	0	0	0	115.8
28	S	32.7	Very low	45.1	Very low	118 Å²	118	123 Å²	123	83%	0.825	67%	0.672	S	S	*	*			trans	141.7	58	146.4	-159.2	0	0	0	0	111.6	A30	S28-A30 VanDerWaalsContact C-N 3.32Å; S28-A30 PolarHBondContact O-N 3.12Å
29	R	32.7	Very low	47.3	Very low	232 Å²	232	119.7 Å²	119.7	88%	0.875	67%	0.666	S	S	*	*			trans	-83.9	83.1	162.5	-152.1	175.7	-160.7	166.1	6.7	107.1	I31	R29-I31 PolarHBondContact O-N 2.96Å
30	A	34	Very low	49.7	Very low	78 Å²	78	119.3 Å²	119.3	65%	0.645	66%	0.664	S	S	*	*			trans	-65.5	104.8	161.5	0	0	0	0	0	106.8	S28 T32	S28-A30 VanDerWaalsContact C-N 3.32Å; S28-A30 PolarHBondContact O-N 3.12Å; A30-T32 PolarHBondContact O-N 3.27Å
31	I	38.9	Very low	52.1	Low	127 Å²	127	115.7 Å²	115.7	65%	0.651	65%	0.647	S	S	*	*			trans	-58.3	106.6	-178.7	-61.7	166.8	0	0	0	109	R29 N33	R29-I31 PolarHBondContact O-N 2.96Å; I31-N33 WeakPolarHBondContact CG2-OD1 3.11Å; I31-N33 PolarHBondContact O-N 3.16Å
32	T	46.9	Very low	54.6	Low	107 Å²	107	114.3 Å²	114.3	66%	0.656	62%	0.624	S	S	*	*			trans	-73.6	100.7	167.1	36.5	0	0	0	0	108.8	A30 M34	A30-T32 PolarHBondContact O-N 3.27Å; T32-M34 VanDerWaalsContact C-N 3.34Å; T32-M34 PolarHBondContact O-N 3.21Å
33	N	56.6	Low	57.1	Low	65 Å²	65	112.9 Å²	112.9	35%	0.348	60%	0.603	S	S	.	*			trans	-88.7	42.5	-170.7	-100.3	-29	0	0	0	114.2	I31 N35 K36	I31-N33 WeakPolarHBondContact CG2-OD1 3.11Å; I31-N33 PolarHBondContact O-N 3.16Å; N33-N35 PolarHBondContact O-N 2.92Å; N33-K36 HydrophobicContact CB-CB 4.43Å; N33-K36 HydrophobicContact CB-CD 4.41Å; N33-K36 HydrophobicContact CB-CG 4.4Å; N33-K36 PolarHBondContact O-N 2.83Å; N33-K36 VanDerWaalsContact O-N 3.15Å; N33-K36 WeakPolarHBondContact OD1-CD 3.43Å; N33-K36 VanDerWaalsContact OD1-CE 3.28Å; N33-K36 WeakPolarHBondContact OD1-CE 3.39Å
34	M	58	Low	59.8	Low	55 Å²	55	113.2 Å²	113.2	27%	0.271	59%	0.586	S	S	.	*	G	3₁₀ helix	trans	-54.4	-32.3	167.7	-98.4	-105.1	-94.6	0	0	111.9	T32 K36 L37 K42 E56	T32-M34 VanDerWaalsContact C-N 3.34Å; T32-M34 PolarHBondContact O-N 3.21Å; M34-K36 PolarHBondContact O-N 3.23Å; M34-L37 PolarHBondContact O-N 3.38Å; M34-K42 WeakPolarHBondContact O-CE 3.35Å; M34-K42 PolarHBondContact O-NZ 2.96Å; M34-K42 HydrophobicContact SD-CG 4.36Å; M34-E56 WeakPolarHBondContact CG-OE1 3.36Å
35	N	64.1	Low	62.7	Low	147 Å²	147	103 Å²	103	79%	0.786	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-69	-13.6	-177.8	-67.4	-20.4	0	0	0	114.1	N33	N33-N35 PolarHBondContact O-N 2.92Å
36	K	71.1	Confident	65.4	Low	162 Å²	162	100.7 Å²	100.7	70%	0.704	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-100.3	-1.8	179.4	-63.3	-169.1	-175.8	-178.4	0	114.3	N33 M34	N33-K36 HydrophobicContact CB-CB 4.43Å; N33-K36 HydrophobicContact CB-CD 4.41Å; N33-K36 HydrophobicContact CB-CG 4.4Å; N33-K36 PolarHBondContact O-N 2.83Å; N33-K36 VanDerWaalsContact O-N 3.15Å; N33-K36 WeakPolarHBondContact OD1-CD 3.43Å; N33-K36 VanDerWaalsContact OD1-CE 3.28Å; N33-K36 WeakPolarHBondContact OD1-CE 3.39Å; M34-K36 PolarHBondContact O-N 3.23Å
37	L	81.1	Confident	67.9	Low	33 Å²	33	95.1 Å²	95.1	17%	0.173	51%	0.508	C	S	.	.	S	Bend	trans	-89.9	146.4	-176.6	-62.3	173.4	0	0	0	112.3	M34 Q41 K42 L60 W68	M34-L37 PolarHBondContact O-N 3.38Å; L37-Q41 HydrophobicContact CB-CB 4.14Å; L37-K42 HydrophobicContact CB-CG 4.01Å; L37-K42 WeakPolarHBondContact O-CE 3.48Å; L37-L60 HydrophobicContact CD1-CD2 3.42Å; L37-L60 VanDerWaalsContact CD1-CD2 3.42Å; L37-W68 HydrophobicContact CD1-CH2 3.99Å; L37-W68 HydrophobicContact CD2-CH2 3.48Å; L37-W68 VanDerWaalsContact CD2-CH2 3.48Å; L37-W68 HydrophobicContact CD2-CZ2 3.76Å; L37-W68 HydrophobicContact CD2-CZ3 4.49Å; L37-W68 HydrophobicContact CG-CH2 4.35Å
38	K	86.1	Confident	70.6	Confident	152 Å²	152	91.3 Å²	91.3	66%	0.661	47%	0.469	S	S	*	.			trans	-65.3	154.4	171.4	-62.5	-178.8	-177.9	179.3	0	110.3	S40 Q41 K42	K38-S40 VanDerWaalsContact C-N 3.25Å; K38-S40 PolarHBondContact O-N 3.08Å; K38-Q41 HydrophobicContact CB-CG 4.39Å; K38-Q41 WeakPolarHBondContact O-CB 3.41Å; K38-Q41 PolarHBondContact O-N 3.31Å; K38-K42 PolarHBondContact O-N 3.28Å; K38-K42 VanDerWaalsContact O-N 3.14Å
39	S	83.6	Confident	73.2	Confident	89 Å²	89	88.6 Å²	88.6	62%	0.622	44%	0.444	S	S	*	.	H	α-helix	trans	-53	-44.1	-179.9	-163.4	0	0	0	0	112.2	Q41 K42 D43	S39-Q41 VanDerWaalsContact C-N 3.27Å; S39-Q41 PolarHBondContact O-N 3Å; S39-K42 WeakPolarHBondContact O-CB 3.5Å; S39-K42 PolarHBondContact O-N 2.95Å; S39-K42 VanDerWaalsContact O-N 3.16Å; S39-D43 PolarHBondContact O-N 3.44Å; S39-D43 VanDerWaalsContact O-N 3.12Å
40	S	84.4	Confident	75.8	Confident	74 Å²	74	83.6 Å²	83.6	52%	0.517	43%	0.433	S	S	.	.	H	α-helix	trans	-63.1	-28.9	178.3	57.4	0	0	0	0	114.2	K38 K44	K38-S40 VanDerWaalsContact C-N 3.25Å; K38-S40 PolarHBondContact O-N 3.08Å; S40-K44 WeakPolarHBondContact O-CG 3.15Å; S40-K44 PolarHBondContact O-N 2.63Å
41	Q	86.6	Confident	78.2	Confident	40 Å²	40	85.9 Å²	85.9	19%	0.187	43%	0.429	C	S	.	.	H	α-helix	trans	-77.1	-37	176.3	-72	174.5	-47.4	0	0	111.3	L37 K38 S39 D43 K44 V45 W68	L37-Q41 HydrophobicContact CB-CB 4.14Å; K38-Q41 HydrophobicContact CB-CG 4.39Å; K38-Q41 WeakPolarHBondContact O-CB 3.41Å; K38-Q41 PolarHBondContact O-N 3.31Å; S39-Q41 VanDerWaalsContact C-N 3.27Å; S39-Q41 PolarHBondContact O-N 3Å; Q41-D43 VanDerWaalsContact C-N 3.35Å; Q41-K44 PolarHBondContact O-N 3.42Å; Q41-V45 VanDerWaalsContact O-CG2 3.32Å; Q41-V45 WeakPolarHBondContact O-CG2 3.23Å; Q41-V45 PolarHBondContact O-N 3.43Å; Q41-W68 HydrophobicContact CB-CD2 4.33Å; Q41-W68 HydrophobicContact CB-CE3 3.69Å; Q41-W68 HydrophobicContact CB-CH2 4.02Å; Q41-W68 HydrophobicContact CB-CZ3 3.51Å; Q41-W68 HydrophobicContact CG-CD2 3.79Å; Q41-W68 HydrophobicContact CG-CE3 3.64Å; Q41-W68 HydrophobicContact CG-CG 4.37Å; Q41-W68 HydrophobicContact CG-CH2 4.32Å; Q41-W68 HydrophobicContact CG-CZ2 4.45Å; Q41-W68 HydrophobicContact CG-CZ3 3.92Å
42	K	88.4	Confident	80.2	Confident	59 Å²	59	80.5 Å²	80.5	26%	0.257	40%	0.402	S	S	.	.	H	α-helix	trans	-63.4	-41.1	175.3	-66.3	177.6	176.1	179.4	0	111.8	M34 L37 K38 S39 K44 V45 R46	M34-K42 WeakPolarHBondContact O-CE 3.35Å; M34-K42 PolarHBondContact O-NZ 2.96Å; M34-K42 HydrophobicContact SD-CG 4.36Å; L37-K42 HydrophobicContact CB-CG 4.01Å; L37-K42 WeakPolarHBondContact O-CE 3.48Å; K38-K42 PolarHBondContact O-N 3.28Å; K38-K42 VanDerWaalsContact O-N 3.14Å; S39-K42 WeakPolarHBondContact O-CB 3.5Å; S39-K42 PolarHBondContact O-N 2.95Å; S39-K42 VanDerWaalsContact O-N 3.16Å; K42-K44 VanDerWaalsContact C-N 3.34Å; K42-V45 PolarHBondContact O-N 3.19Å; K42-R46 WeakPolarHBondContact O-CG 3.23Å; K42-R46 PolarHBondContact O-N 3Å; K42-R46 VanDerWaalsContact O-N 3.07Å
43	D	89.9	Confident	81.7	Confident	66 Å²	66	84.2 Å²	84.2	35%	0.353	41%	0.412	S	S	.	.	H	α-helix	trans	-65.6	-39.3	178.3	-65.2	-33.8	0	0	0	111.6	S39 Q41 R46 Q47	S39-D43 PolarHBondContact O-N 3.44Å; S39-D43 VanDerWaalsContact O-N 3.12Å; Q41-D43 VanDerWaalsContact C-N 3.35Å; D43-R46 PolarHBondContact O-N 2.98Å; D43-R46 IonicContact OD1-NH1 3.47Å; D43-R46 PolarHBondContact OD1-NH1 2.92Å; D43-Q47 WeakPolarHBondContact O-CG 3.29Å; D43-Q47 PolarHBondContact O-N 3.34Å
44	K	90.8	Very high	82.7	Confident	73 Å²	73	81.5 Å²	81.5	32%	0.317	40%	0.398	S	S	.	.	H	α-helix	trans	-64.1	-39.7	173.8	-72.4	177.2	175.9	-173.2	0	112.9	S40 Q41 K42 Q47 F48 L63 W68	S40-K44 WeakPolarHBondContact O-CG 3.15Å; S40-K44 PolarHBondContact O-N 2.63Å; Q41-K44 PolarHBondContact O-N 3.42Å; K42-K44 VanDerWaalsContact C-N 3.34Å; K44-Q47 PolarHBondContact O-N 2.88Å; K44-F48 VanDerWaalsContact O-CB 3.26Å; K44-F48 WeakPolarHBondContact O-CB 3.47Å; K44-F48 PolarHBondContact O-N 3.25Å; K44-L63 HydrophobicContact CB-CD1 4.35Å; K44-L63 HydrophobicContact CB-CD2 4.43Å; K44-W68 HydrophobicContact CD-CB 4.44Å; K44-W68 VanDerWaalsContact CD-O 3.23Å; K44-W68 WeakPolarHBondContact CD-O 3.4Å; K44-W68 WeakPolarHBondContact CE-O 3.26Å; K44-W68 PolarHBondContact NZ-O 3.43Å
45	V	89.9	Confident	83.8	Confident	3 Å²	3	82.5 Å²	82.5	2%	0.018	40%	0.404	C	S	.	.	H	α-helix	trans	-61.5	-45.7	175.1	172.4	0	0	0	0	110.6	Q41 K42 F48 M49 E56 A59 L60 L63 W68	Q41-V45 VanDerWaalsContact O-CG2 3.32Å; Q41-V45 WeakPolarHBondContact O-CG2 3.23Å; Q41-V45 PolarHBondContact O-N 3.43Å; K42-V45 PolarHBondContact O-N 3.19Å; V45-F48 PolarHBondContact O-N 3.39Å; V45-M49 HydrophobicContact CG1-SD 3.98Å; V45-M49 VanDerWaalsContact O-CG 3.26Å; V45-M49 WeakPolarHBondContact O-CG 3.47Å; V45-M49 PolarHBondContact O-N 3.34Å; V45-E56 HydrophobicContact CG1-CG 4.16Å; V45-A59 HydrophobicContact CG1-CB 4.08Å; V45-L60 HydrophobicContact CG1-CD2 4.48Å; V45-L60 HydrophobicContact CG2-CD2 3.59Å; V45-L60 HydrophobicContact CG2-CG 4.32Å; V45-L63 HydrophobicContact CB-CD1 4.24Å; V45-L63 HydrophobicContact CG2-CD1 3.67Å; V45-W68 HydrophobicContact CG2-CH2 4.46Å; V45-W68 HydrophobicContact CG2-CZ3 3.82Å
46	R	88.9	Confident	84.6	Confident	146 Å²	146	78.4 Å²	78.4	55%	0.551	38%	0.38	S	S	*	.	H	α-helix	trans	-61.4	-47.6	177	-70	176.4	-173.5	158.8	-4.8	112	K42 D43 M49 I50	K42-R46 WeakPolarHBondContact O-CG 3.23Å; K42-R46 PolarHBondContact O-N 3Å; K42-R46 VanDerWaalsContact O-N 3.07Å; D43-R46 PolarHBondContact O-N 2.98Å; D43-R46 IonicContact OD1-NH1 3.47Å; D43-R46 PolarHBondContact OD1-NH1 2.92Å; R46-M49 PolarHBondContact O-N 2.94Å; R46-I50 VanDerWaalsContact O-CG1 3.29Å; R46-I50 WeakPolarHBondContact O-CG1 3.39Å; R46-I50 PolarHBondContact O-N 3.07Å
47	Q	88.5	Confident	85.1	Confident	92 Å²	92	78.1 Å²	78.1	43%	0.43	38%	0.379	S	S	.	.	H	α-helix	trans	-63.1	-43.5	179.1	-72.6	178.7	-0.9	0	0	111.8	D43 K44 M49 I50 F51 L70	D43-Q47 WeakPolarHBondContact O-CG 3.29Å; D43-Q47 PolarHBondContact O-N 3.34Å; K44-Q47 PolarHBondContact O-N 2.88Å; Q47-M49 VanDerWaalsContact C-N 3.35Å; Q47-M49 PolarHBondContact O-N 3.43Å; Q47-I50 PolarHBondContact O-N 3.5Å; Q47-F51 HydrophobicContact CB-CD2 4.44Å; Q47-F51 HydrophobicContact CB-CE2 4.14Å; Q47-F51 WeakPolarHBondContact O-CD2 3.17Å; Q47-F51 WeakPolarHBondContact O-CG 3.29Å; Q47-F51 PolarHBondContact O-N 3.3Å; Q47-L70 HydrophobicContact CB-CD1 4.47Å; Q47-L70 HydrophobicContact CB-CD2 3.83Å
48	F	90.2	Very high	85	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-58.5	-46.7	175.7	-172.8	-82.1	0	0	0	111.5	K44 V45 I50 F51 T52 S54 A59 C62 L63 L70 F77	K44-F48 VanDerWaalsContact O-CB 3.26Å; K44-F48 WeakPolarHBondContact O-CB 3.47Å; K44-F48 PolarHBondContact O-N 3.25Å; V45-F48 PolarHBondContact O-N 3.39Å; F48-I50 VanDerWaalsContact C-N 3.31Å; F48-I50 PolarHBondContact O-N 2.89Å; F48-F51 PolarHBondContact O-N 3.04Å; F48-T52 HydrophobicContact CD1-CG2 4.09Å; F48-T52 WeakPolarHBondContact CD1-OG1 3.41Å; F48-T52 HydrophobicContact CD2-CG2 4.44Å; F48-T52 HydrophobicContact CE1-CG2 3.77Å; F48-T52 WeakPolarHBondContact CE1-OG1 3.26Å; F48-T52 HydrophobicContact CE2-CG2 4.14Å; F48-T52 HydrophobicContact CG-CG2 4.42Å; F48-T52 HydrophobicContact CZ-CG2 3.81Å; F48-T52 WeakPolarHBondContact O-CB 3.39Å; F48-T52 WeakPolarHBondContact O-CG2 3.27Å; F48-T52 PolarHBondContact O-N 2.63Å; F48-T52 PolarHBondContact O-OG1 3.3Å; F48-S54 WeakPolarHBondContact CE1-OG 3.27Å; F48-A59 HydrophobicContact CB-CB 4.47Å; F48-A59 HydrophobicContact CD1-CB 3.52Å; F48-A59 HydrophobicContact CE1-CB 4.15Å; F48-A59 HydrophobicContact CG-CB 4.3Å; F48-C62 HydrophobicContact CE1-CB 4.38Å; F48-C62 HydrophobicContact CE2-CB 4.25Å; F48-C62 HydrophobicContact CZ-CB 3.77Å; F48-L63 HydrophobicContact CB-CD1 3.95Å; F48-L63 HydrophobicContact CB-CG 4.47Å; F48-L63 HydrophobicContact CD2-CD2 4.24Å; F48-L63 HydrophobicContact CD2-CG 4.2Å; F48-L63 HydrophobicContact CG-CD1 4.3Å; F48-L63 HydrophobicContact CG-CG 4.38Å; F48-L70 HydrophobicContact CB-CD1 3.66Å; F48-L70 HydrophobicContact CD2-CD1 3.96Å; F48-L70 HydrophobicContact CG-CD1 4.32Å; F48-F77 HydrophobicContact CE1-CD2 4.28Å; F48-F77 HydrophobicContact CE2-CB 4.39Å; F48-F77 HydrophobicContact CZ-CB 3.83Å; F48-F77 AromaticContact CZ-CD2 3.95Å; F48-F77 HydrophobicContact CZ-CD2 3.95Å; F48-F77 AromaticContact CZ-CG 3.94Å; F48-F77 HydrophobicContact CZ-CG 3.94Å
49	M	87.6	Confident	85	Confident	61 Å²	61	69.6 Å²	69.6	30%	0.3	34%	0.342	S	S	.	.	H	α-helix	trans	-61.8	-38.1	177	-70.7	173.3	62.1	0	0	112.2	V45 R46 Q47 Q53 E56 A59	V45-M49 HydrophobicContact CG1-SD 3.98Å; V45-M49 VanDerWaalsContact O-CG 3.26Å; V45-M49 WeakPolarHBondContact O-CG 3.47Å; V45-M49 PolarHBondContact O-N 3.34Å; R46-M49 PolarHBondContact O-N 2.94Å; Q47-M49 VanDerWaalsContact C-N 3.35Å; Q47-M49 PolarHBondContact O-N 3.43Å; M49-Q53 WeakPolarHBondContact O-CA 3.49Å; M49-Q53 PolarHBondContact O-N 3.25Å; M49-E56 HydrophobicContact CE-CB 4.21Å; M49-E56 HydrophobicContact SD-CB 3.9Å; M49-E56 HydrophobicContact SD-CG 4.15Å; M49-A59 HydrophobicContact CG-CB 3.64Å; M49-A59 HydrophobicContact SD-CB 4.46Å
50	I	86.3	Confident	85.1	Confident	126 Å²	126	67 Å²	67	65%	0.646	32%	0.32	S	S	*	.	H	α-helix	trans	-64.3	-45.8	175.9	-69.8	164.8	0	0	0	110.9	R46 Q47 F48	R46-I50 VanDerWaalsContact O-CG1 3.29Å; R46-I50 WeakPolarHBondContact O-CG1 3.39Å; R46-I50 PolarHBondContact O-N 3.07Å; Q47-I50 PolarHBondContact O-N 3.5Å; F48-I50 VanDerWaalsContact C-N 3.31Å; F48-I50 PolarHBondContact O-N 2.89Å
51	F	84	Confident	84.9	Confident	126 Å²	126	66.1 Å²	66.1	55%	0.553	31%	0.312	S	S	*	.	H	α-helix	trans	-73.4	-35.2	-176.7	-67.4	-46.4	0	0	0	113.7	Q47 F48 L70	Q47-F51 HydrophobicContact CB-CD2 4.44Å; Q47-F51 HydrophobicContact CB-CE2 4.14Å; Q47-F51 WeakPolarHBondContact O-CD2 3.17Å; Q47-F51 WeakPolarHBondContact O-CG 3.29Å; Q47-F51 PolarHBondContact O-N 3.3Å; F48-F51 PolarHBondContact O-N 3.04Å; F51-L70 HydrophobicContact CD2-CD2 4.48Å; F51-L70 HydrophobicContact CE2-CD2 4.15Å
52	T	82.1	Confident	84.8	Confident	14 Å²	14	64.2 Å²	64.2	9%	0.086	30%	0.303	C	S	.	.	H	α-helix	trans	-101.1	-9.5	-173.8	61.6	0	0	0	0	113.8	F48 S54 T74 F77 F78	F48-T52 HydrophobicContact CD1-CG2 4.09Å; F48-T52 WeakPolarHBondContact CD1-OG1 3.41Å; F48-T52 HydrophobicContact CD2-CG2 4.44Å; F48-T52 HydrophobicContact CE1-CG2 3.77Å; F48-T52 WeakPolarHBondContact CE1-OG1 3.26Å; F48-T52 HydrophobicContact CE2-CG2 4.14Å; F48-T52 HydrophobicContact CG-CG2 4.42Å; F48-T52 HydrophobicContact CZ-CG2 3.81Å; F48-T52 WeakPolarHBondContact O-CB 3.39Å; F48-T52 WeakPolarHBondContact O-CG2 3.27Å; F48-T52 PolarHBondContact O-N 2.63Å; F48-T52 PolarHBondContact O-OG1 3.3Å; T52-S54 PolarHBondContact O-N 2.95Å; T52-S54 VanDerWaalsContact O-N 3.07Å; T52-S54 WeakPolarHBondContact OG1-CB 3.33Å; T52-S54 PolarHBondContact OG1-N 2.99Å; T52-S54 PolarHBondContact OG1-OG 2.79Å; T52-T74 HydrophobicContact CG2-CG2 4.14Å; T52-F77 VanDerWaalsContact CB-CE1 3.48Å; T52-F77 HydrophobicContact CG2-CD1 3.57Å; T52-F77 HydrophobicContact CG2-CE1 3.79Å; T52-F77 HydrophobicContact CG2-CG 4.08Å; T52-F77 HydrophobicContact CG2-CZ 4.44Å; T52-F78 HydrophobicContact CG2-CE2 4.21Å; T52-F78 HydrophobicContact CG2-CZ 4.25Å
53	Q	77.4	Confident	84.8	Confident	185 Å²	185	61.4 Å²	61.4	86%	0.864	29%	0.291	S	S	*	.			trans	52.3	22	-169.5	-57.3	-169.3	7	0	0	114.2	M49	M49-Q53 WeakPolarHBondContact O-CA 3.49Å; M49-Q53 PolarHBondContact O-N 3.25Å
54	S	78.4	Confident	84.6	Confident	9 Å²	9	61.3 Å²	61.3	6%	0.063	30%	0.295	C	S	.	.			trans	-84.4	165.3	-178.7	67.8	0	0	0	0	112.6	F48 T52	F48-S54 WeakPolarHBondContact CE1-OG 3.27Å; T52-S54 PolarHBondContact O-N 2.95Å; T52-S54 VanDerWaalsContact O-N 3.07Å; T52-S54 WeakPolarHBondContact OG1-CB 3.33Å; T52-S54 PolarHBondContact OG1-N 2.99Å; T52-S54 PolarHBondContact OG1-OG 2.79Å
55	N	80.3	Confident	84.2	Confident	75 Å²	75	63.4 Å²	63.4	40%	0.401	31%	0.306	S	S	.	.			trans	-78.6	161.2	175.3	66.8	62.4	0	0	0	112	K57 T58 A59	N55-K57 VanDerWaalsContact C-N 3.26Å; N55-K57 PolarHBondContact O-N 3.43Å; N55-K57 WeakPolarHBondContact OD1-CB 3.41Å; N55-K57 PolarHBondContact OD1-N 3.44Å; N55-T58 PolarHBondContact O-N 3.33Å; N55-T58 VanDerWaalsContact O-N 3.16Å; N55-T58 PolarHBondContact OD1-N 2.9Å; N55-T58 PolarHBondContact OD1-OG1 2.9Å; N55-A59 PolarHBondContact O-N 2.74Å
56	E	82.1	Confident	84.1	Confident	61 Å²	61	64.4 Å²	64.4	29%	0.285	31%	0.311	S	S	.	.	H	α-helix	trans	-57.2	-36.8	-176.2	-167.2	-170.6	129.7	0	0	113.3	M34 V45 M49 A59 L60	M34-E56 WeakPolarHBondContact CG-OE1 3.36Å; V45-E56 HydrophobicContact CG1-CG 4.16Å; M49-E56 HydrophobicContact CE-CB 4.21Å; M49-E56 HydrophobicContact SD-CB 3.9Å; M49-E56 HydrophobicContact SD-CG 4.15Å; E56-A59 PolarHBondContact O-N 3.4Å; E56-L60 HydrophobicContact CG-CD1 4.18Å; E56-L60 WeakPolarHBondContact O-CB 3.32Å; E56-L60 WeakPolarHBondContact O-CG 2.89Å; E56-L60 PolarHBondContact O-N 3.32Å
57	K	80.8	Confident	84	Confident	156 Å²	156	63.5 Å²	63.5	68%	0.678	32%	0.318	S	S	*	.	H	α-helix	trans	-64.9	-47.3	179	-176	-177.5	178.1	-176.2	0	111.1	N55 L60 T61	N55-K57 VanDerWaalsContact C-N 3.26Å; N55-K57 PolarHBondContact O-N 3.43Å; N55-K57 WeakPolarHBondContact OD1-CB 3.41Å; N55-K57 PolarHBondContact OD1-N 3.44Å; K57-L60 PolarHBondContact O-N 2.99Å; K57-T61 PolarHBondContact O-N 3.14Å; K57-T61 PolarHBondContact O-OG1 3.46Å
58	T	79.9	Confident	84.1	Confident	7 Å²	7	61.4 Å²	61.4	4%	0.043	31%	0.306	C	S	.	.	H	α-helix	trans	-61	-44.9	175.9	-72	0	0	0	0	111.3	N55 L60 T61 C62 F77 Y84	N55-T58 PolarHBondContact O-N 3.33Å; N55-T58 VanDerWaalsContact O-N 3.16Å; N55-T58 PolarHBondContact OD1-N 2.9Å; N55-T58 PolarHBondContact OD1-OG1 2.9Å; T58-L60 PolarHBondContact O-N 3.44Å; T58-T61 PolarHBondContact O-N 3.07Å; T58-C62 WeakPolarHBondContact O-CB 3.45Å; T58-C62 PolarHBondContact O-N 2.86Å; T58-F77 HydrophobicContact CG2-CD2 4.24Å; T58-F77 HydrophobicContact CG2-CE2 3.73Å; T58-Y84 WeakPolarHBondContact CG2-O 3.34Å; T58-Y84 PolarHBondContact OG1-O 3.32Å
59	A	84.3	Confident	84.1	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-59.1	-45.1	176.7	0	0	0	0	0	112	V45 F48 M49 N55 E56 L63	V45-A59 HydrophobicContact CG1-CB 4.08Å; F48-A59 HydrophobicContact CB-CB 4.47Å; F48-A59 HydrophobicContact CD1-CB 3.52Å; F48-A59 HydrophobicContact CE1-CB 4.15Å; F48-A59 HydrophobicContact CG-CB 4.3Å; M49-A59 HydrophobicContact CG-CB 3.64Å; M49-A59 HydrophobicContact SD-CB 4.46Å; N55-A59 PolarHBondContact O-N 2.74Å; E56-A59 PolarHBondContact O-N 3.4Å; A59-L63 VanDerWaalsContact O-CB 3.28Å; A59-L63 WeakPolarHBondContact O-CB 3.17Å; A59-L63 WeakPolarHBondContact O-CD1 3.41Å; A59-L63 VanDerWaalsContact O-CG 3.3Å; A59-L63 WeakPolarHBondContact O-CG 3.46Å; A59-L63 PolarHBondContact O-N 2.88Å
60	L	85.4	Confident	84.2	Confident	34 Å²	34	65.2 Å²	65.2	18%	0.178	32%	0.322	C	S	.	.	H	α-helix	trans	-63.4	-45.1	177.9	-73.7	169.6	0	0	0	112.6	L37 V45 E56 K57 T58 S64 W68	L37-L60 HydrophobicContact CD1-CD2 3.42Å; L37-L60 VanDerWaalsContact CD1-CD2 3.42Å; V45-L60 HydrophobicContact CG1-CD2 4.48Å; V45-L60 HydrophobicContact CG2-CD2 3.59Å; V45-L60 HydrophobicContact CG2-CG 4.32Å; E56-L60 HydrophobicContact CG-CD1 4.18Å; E56-L60 WeakPolarHBondContact O-CB 3.32Å; E56-L60 WeakPolarHBondContact O-CG 2.89Å; E56-L60 PolarHBondContact O-N 3.32Å; K57-L60 PolarHBondContact O-N 2.99Å; T58-L60 PolarHBondContact O-N 3.44Å; L60-S64 WeakPolarHBondContact O-CB 3.44Å; L60-S64 PolarHBondContact O-N 3.35Å; L60-S64 PolarHBondContact O-OG 3.44Å; L60-S64 VanDerWaalsContact O-OG 3.07Å; L60-W68 HydrophobicContact CD2-CH2 4.06Å
61	T	81.6	Confident	84.3	Confident	55 Å²	55	64.2 Å²	64.2	34%	0.337	32%	0.318	S	S	.	.	H	α-helix	trans	-63	-49.5	178.5	-61.8	0	0	0	0	111.1	K57 T58 S64 Q65	K57-T61 PolarHBondContact O-N 3.14Å; K57-T61 PolarHBondContact O-OG1 3.46Å; T58-T61 PolarHBondContact O-N 3.07Å; T61-S64 PolarHBondContact O-N 3.34Å; T61-S64 PolarHBondContact O-OG 2.93Å; T61-Q65 WeakPolarHBondContact O-CG 3.27Å; T61-Q65 PolarHBondContact O-N 2.96Å; T61-Q65 VanDerWaalsContact O-N 3.14Å
62	C	84.1	Confident	84.5	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.7	-48.1	-178.6	-164.4	0	0	0	0	111.7	F48 T58 S64 Q65 N66 S73 Y84	F48-C62 HydrophobicContact CE1-CB 4.38Å; F48-C62 HydrophobicContact CE2-CB 4.25Å; F48-C62 HydrophobicContact CZ-CB 3.77Å; T58-C62 WeakPolarHBondContact O-CB 3.45Å; T58-C62 PolarHBondContact O-N 2.86Å; C62-S64 PolarHBondContact O-N 2.98Å; C62-Q65 PolarHBondContact O-N 2.95Å; C62-N66 PolarHBondContact O-N 2.82Å; C62-N66 PolarHBondContact O-ND2 3.25Å; C62-S73 PolarHBondContact SG-O 3.15Å; C62-Y84 HydrophobicContact CB-CD1 3.7Å; C62-Y84 HydrophobicContact CB-CE1 3.92Å; C62-Y84 HydrophobicContact CB-CG 4.23Å
63	L	87.4	Confident	84.7	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.5	-38.5	178.2	-73.4	164.3	0	0	0	112.3	K44 V45 F48 A59 Q65 N66 W68 L70	K44-L63 HydrophobicContact CB-CD1 4.35Å; K44-L63 HydrophobicContact CB-CD2 4.43Å; V45-L63 HydrophobicContact CB-CD1 4.24Å; V45-L63 HydrophobicContact CG2-CD1 3.67Å; F48-L63 HydrophobicContact CB-CD1 3.95Å; F48-L63 HydrophobicContact CB-CG 4.47Å; F48-L63 HydrophobicContact CD2-CD2 4.24Å; F48-L63 HydrophobicContact CD2-CG 4.2Å; F48-L63 HydrophobicContact CG-CD1 4.3Å; F48-L63 HydrophobicContact CG-CG 4.38Å; A59-L63 VanDerWaalsContact O-CB 3.28Å; A59-L63 WeakPolarHBondContact O-CB 3.17Å; A59-L63 WeakPolarHBondContact O-CD1 3.41Å; A59-L63 VanDerWaalsContact O-CG 3.3Å; A59-L63 WeakPolarHBondContact O-CG 3.46Å; A59-L63 PolarHBondContact O-N 2.88Å; L63-Q65 VanDerWaalsContact C-N 3.32Å; L63-Q65 PolarHBondContact O-N 3.01Å; L63-N66 PolarHBondContact O-N 3.42Å; L63-W68 HydrophobicContact CB-CD2 4.29Å; L63-W68 HydrophobicContact CB-CE3 3.86Å; L63-W68 HydrophobicContact CB-CZ3 4.14Å; L63-W68 HydrophobicContact CD1-CE3 4.46Å; L63-W68 HydrophobicContact CD1-CZ3 4.43Å; L63-W68 VanDerWaalsContact O-CA 3.27Å; L63-W68 WeakPolarHBondContact O-CA 3.38Å; L63-W68 PolarHBondContact O-N 3.33Å; L63-L70 HydrophobicContact CD2-CD1 4.29Å
64	S	86.7	Confident	85.1	Confident	64 Å²	64	52.6 Å²	52.6	45%	0.448	27%	0.27	S	S	.	.	H	α-helix	trans	-67.6	-31	179.4	70.5	0	0	0	0	113.7	L60 T61 C62	L60-S64 WeakPolarHBondContact O-CB 3.44Å; L60-S64 PolarHBondContact O-N 3.35Å; L60-S64 PolarHBondContact O-OG 3.44Å; L60-S64 VanDerWaalsContact O-OG 3.07Å; T61-S64 PolarHBondContact O-N 3.34Å; T61-S64 PolarHBondContact O-OG 2.93Å; C62-S64 PolarHBondContact O-N 2.98Å
65	Q	82.2	Confident	85.5	Confident	117 Å²	117	56.7 Å²	56.7	55%	0.547	29%	0.291	S	S	.	.	H	α-helix	trans	-82.8	-19.6	-179.7	-72	178	1.1	0	0	113.2	T61 C62 L63 Y84	T61-Q65 WeakPolarHBondContact O-CG 3.27Å; T61-Q65 PolarHBondContact O-N 2.96Å; T61-Q65 VanDerWaalsContact O-N 3.14Å; C62-Q65 PolarHBondContact O-N 2.95Å; L63-Q65 VanDerWaalsContact C-N 3.32Å; L63-Q65 PolarHBondContact O-N 3.01Å; Q65-Y84 PolarHBondContact OE1-OH 3.23Å
66	N	87.8	Confident	85.5	Confident	24 Å²	24	54.6 Å²	54.6	13%	0.128	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	37.8	-176.9	-65.6	-83.3	0	0	0	111.2	C62 L63 W68 K69 V72 S73 N76	C62-N66 PolarHBondContact O-N 2.82Å; C62-N66 PolarHBondContact O-ND2 3.25Å; L63-N66 PolarHBondContact O-N 3.42Å; N66-W68 PolarHBondContact O-N 3.14Å; N66-K69 WeakPolarHBondContact O-CB 3.4Å; N66-K69 PolarHBondContact O-N 2.87Å; N66-V72 HydrophobicContact CB-CG1 4.41Å; N66-S73 WeakPolarHBondContact CB-OG 3.21Å; N66-N76 PolarHBondContact ND2-ND2 3.01Å; N66-N76 PolarHBondContact OD1-ND2 3.17Å
67	D	87.8	Confident	85.5	Confident	128 Å²	128	52 Å²	52	68%	0.684	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	29.4	177.2	-62.8	-41.1	0	0	0	115	K69	D67-K69 PolarHBondContact O-N 3.35Å
68	W	89.4	Confident	85.5	Confident	47 Å²	47	50.2 Å²	50.2	18%	0.178	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	28.2	-175.6	-59	79.7	0	0	0	113.8	L37 Q41 K44 V45 L60 L63 N66	L37-W68 HydrophobicContact CD1-CH2 3.99Å; L37-W68 HydrophobicContact CD2-CH2 3.48Å; L37-W68 VanDerWaalsContact CD2-CH2 3.48Å; L37-W68 HydrophobicContact CD2-CZ2 3.76Å; L37-W68 HydrophobicContact CD2-CZ3 4.49Å; L37-W68 HydrophobicContact CG-CH2 4.35Å; Q41-W68 HydrophobicContact CB-CD2 4.33Å; Q41-W68 HydrophobicContact CB-CE3 3.69Å; Q41-W68 HydrophobicContact CB-CH2 4.02Å; Q41-W68 HydrophobicContact CB-CZ3 3.51Å; Q41-W68 HydrophobicContact CG-CD2 3.79Å; Q41-W68 HydrophobicContact CG-CE3 3.64Å; Q41-W68 HydrophobicContact CG-CG 4.37Å; Q41-W68 HydrophobicContact CG-CH2 4.32Å; Q41-W68 HydrophobicContact CG-CZ2 4.45Å; Q41-W68 HydrophobicContact CG-CZ3 3.92Å; K44-W68 HydrophobicContact CD-CB 4.44Å; K44-W68 VanDerWaalsContact CD-O 3.23Å; K44-W68 WeakPolarHBondContact CD-O 3.4Å; K44-W68 WeakPolarHBondContact CE-O 3.26Å; K44-W68 PolarHBondContact NZ-O 3.43Å; V45-W68 HydrophobicContact CG2-CH2 4.46Å; V45-W68 HydrophobicContact CG2-CZ3 3.82Å; L60-W68 HydrophobicContact CD2-CH2 4.06Å; L63-W68 HydrophobicContact CB-CD2 4.29Å; L63-W68 HydrophobicContact CB-CE3 3.86Å; L63-W68 HydrophobicContact CB-CZ3 4.14Å; L63-W68 HydrophobicContact CD1-CE3 4.46Å; L63-W68 HydrophobicContact CD1-CZ3 4.43Å; L63-W68 VanDerWaalsContact O-CA 3.27Å; L63-W68 WeakPolarHBondContact O-CA 3.38Å; L63-W68 PolarHBondContact O-N 3.33Å; N66-W68 PolarHBondContact O-N 3.14Å
69	K	90.9	Very high	85.5	Confident	113 Å²	113	56.8 Å²	56.8	49%	0.491	29%	0.29	S	S	.	.			trans	-86.8	112.9	171.9	-67.5	179.8	-177.6	172	0	109.2	N66 D67 V72 S73	N66-K69 WeakPolarHBondContact O-CB 3.4Å; N66-K69 PolarHBondContact O-N 2.87Å; D67-K69 PolarHBondContact O-N 3.35Å; K69-V72 HydrophobicContact CB-CB 3.99Å; K69-V72 HydrophobicContact CB-CG2 3.96Å; K69-V72 HydrophobicContact CD-CG2 4.12Å; K69-S73 VanDerWaalsContact O-CB 3.27Å; K69-S73 WeakPolarHBondContact O-CB 3.28Å; K69-S73 PolarHBondContact O-N 3.21Å; K69-S73 PolarHBondContact O-OG 3.18Å
70	L	89.1	Confident	85	Confident	29 Å²	29	60 Å²	60	15%	0.152	31%	0.307	C	S	.	.	H	α-helix	trans	-65.9	-48.3	-169.4	178.2	64.1	0	0	0	111.7	Q47 F48 F51 L63 S73 T74	Q47-L70 HydrophobicContact CB-CD1 4.47Å; Q47-L70 HydrophobicContact CB-CD2 3.83Å; F48-L70 HydrophobicContact CB-CD1 3.66Å; F48-L70 HydrophobicContact CD2-CD1 3.96Å; F48-L70 HydrophobicContact CG-CD1 4.32Å; F51-L70 HydrophobicContact CD2-CD2 4.48Å; F51-L70 HydrophobicContact CE2-CD2 4.15Å; L63-L70 HydrophobicContact CD2-CD1 4.29Å; L70-S73 PolarHBondContact O-N 3.2Å; L70-T74 WeakPolarHBondContact O-CB 3.42Å; L70-T74 PolarHBondContact O-N 3.09Å; L70-T74 PolarHBondContact O-OG1 2.97Å
71	D	88.3	Confident	83.8	Confident	105 Å²	105	60.6 Å²	60.6	56%	0.561	31%	0.313	S	S	*	.	H	α-helix	trans	-52.5	-55.8	174.2	53.2	-24	0	0	0	112.1	S73 T74 D75	D71-S73 VanDerWaalsContact C-N 3.33Å; D71-S73 PolarHBondContact O-N 2.94Å; D71-T74 PolarHBondContact O-N 3.07Å; D71-D75 PolarHBondContact O-N 3.18Å
72	V	87.6	Confident	82.8	Confident	62 Å²	62	64 Å²	64	38%	0.376	33%	0.329	S	S	.	.	H	α-helix	trans	-63.4	-40.4	-179.8	-178.8	0	0	0	0	111.5	N66 K69 N76	N66-V72 HydrophobicContact CB-CG1 4.41Å; K69-V72 HydrophobicContact CB-CB 3.99Å; K69-V72 HydrophobicContact CB-CG2 3.96Å; K69-V72 HydrophobicContact CD-CG2 4.12Å; V72-N76 WeakPolarHBondContact O-CB 3.3Å; V72-N76 PolarHBondContact O-N 3.16Å
73	S	86.8	Confident	81.9	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-65.2	-42.9	178.9	-55.7	0	0	0	0	111	C62 N66 K69 L70 D71 N76 F77	C62-S73 PolarHBondContact SG-O 3.15Å; N66-S73 WeakPolarHBondContact CB-OG 3.21Å; K69-S73 VanDerWaalsContact O-CB 3.27Å; K69-S73 WeakPolarHBondContact O-CB 3.28Å; K69-S73 PolarHBondContact O-N 3.21Å; K69-S73 PolarHBondContact O-OG 3.18Å; L70-S73 PolarHBondContact O-N 3.2Å; D71-S73 VanDerWaalsContact C-N 3.33Å; D71-S73 PolarHBondContact O-N 2.94Å; S73-N76 PolarHBondContact O-N 3.17Å; S73-F77 VanDerWaalsContact O-CB 3.27Å; S73-F77 WeakPolarHBondContact O-CB 3.39Å; S73-F77 PolarHBondContact O-N 3.02Å
74	T	86.4	Confident	80.6	Confident	19 Å²	19	70.2 Å²	70.2	12%	0.117	36%	0.361	C	S	.	.	H	α-helix	trans	-68.3	-42.9	-179	-63.5	0	0	0	0	110.8	T52 L70 D71 F77 F78	T52-T74 HydrophobicContact CG2-CG2 4.14Å; L70-T74 WeakPolarHBondContact O-CB 3.42Å; L70-T74 PolarHBondContact O-N 3.09Å; L70-T74 PolarHBondContact O-OG1 2.97Å; D71-T74 PolarHBondContact O-N 3.07Å; T74-F77 WeakPolarHBondContact O-CB 2.98Å; T74-F77 PolarHBondContact O-N 3.37Å; T74-F78 HydrophobicContact CG2-CD2 3.75Å; T74-F78 HydrophobicContact CG2-CE2 3.47Å; T74-F78 VanDerWaalsContact CG2-CE2 3.47Å; T74-F78 WeakPolarHBondContact O-CD2 3.03Å; T74-F78 PolarHBondContact O-N 3.46Å; T74-F78 VanDerWaalsContact O-N 3.08Å
75	D	85.5	Confident	79.2	Confident	95 Å²	95	69.7 Å²	69.7	51%	0.508	35%	0.351	S	S	.	.	H	α-helix	trans	-61.7	-46.7	174.2	-74.8	-14.9	0	0	0	111.4	D71 F77 F78 Q79	D71-D75 PolarHBondContact O-N 3.18Å; D75-F77 VanDerWaalsContact C-N 3.3Å; D75-F77 PolarHBondContact O-N 3.01Å; D75-F78 PolarHBondContact O-N 3.42Å; D75-Q79 VanDerWaalsContact O-CB 3.29Å; D75-Q79 WeakPolarHBondContact O-CB 3.36Å; D75-Q79 VanDerWaalsContact O-CG 3.23Å; D75-Q79 WeakPolarHBondContact O-CG 3.18Å; D75-Q79 PolarHBondContact O-N 2.93Å
76	N	82	Confident	77.5	Confident	30 Å²	30	68.3 Å²	68.3	16%	0.16	35%	0.353	C	S	.	.	H	α-helix	trans	-63.2	-36	178	-169.7	3.3	0	0	0	112	N66 V72 S73 N80 Y84	N66-N76 PolarHBondContact ND2-ND2 3.01Å; N66-N76 PolarHBondContact OD1-ND2 3.17Å; V72-N76 WeakPolarHBondContact O-CB 3.3Å; V72-N76 PolarHBondContact O-N 3.16Å; S73-N76 PolarHBondContact O-N 3.17Å; N76-N80 WeakPolarHBondContact O-CB 3.22Å; N76-N80 PolarHBondContact O-N 3.21Å; N76-N80 PolarHBondContact OD1-ND2 2.97Å; N76-Y84 PolarHBondContact ND2-OH 3.21Å
77	F	82	Confident	75.3	Confident	6 Å²	6	72.1 Å²	72.1	3%	0.026	37%	0.373	C	S	.	.	H	α-helix	trans	-63.9	-41.9	174.6	175.5	-90.4	0	0	0	113	F48 T52 T58 S73 T74 D75 N80 P81 Y84 H85	F48-F77 HydrophobicContact CE1-CD2 4.28Å; F48-F77 HydrophobicContact CE2-CB 4.39Å; F48-F77 HydrophobicContact CZ-CB 3.83Å; F48-F77 AromaticContact CZ-CD2 3.95Å; F48-F77 HydrophobicContact CZ-CD2 3.95Å; F48-F77 AromaticContact CZ-CG 3.94Å; F48-F77 HydrophobicContact CZ-CG 3.94Å; T52-F77 VanDerWaalsContact CB-CE1 3.48Å; T52-F77 HydrophobicContact CG2-CD1 3.57Å; T52-F77 HydrophobicContact CG2-CE1 3.79Å; T52-F77 HydrophobicContact CG2-CG 4.08Å; T52-F77 HydrophobicContact CG2-CZ 4.44Å; T58-F77 HydrophobicContact CG2-CD2 4.24Å; T58-F77 HydrophobicContact CG2-CE2 3.73Å; S73-F77 VanDerWaalsContact O-CB 3.27Å; S73-F77 WeakPolarHBondContact O-CB 3.39Å; S73-F77 PolarHBondContact O-N 3.02Å; T74-F77 WeakPolarHBondContact O-CB 2.98Å; T74-F77 PolarHBondContact O-N 3.37Å; D75-F77 VanDerWaalsContact C-N 3.3Å; D75-F77 PolarHBondContact O-N 3.01Å; F77-N80 CarbonylContact O-C 3.56Å; F77-P81 WeakPolarHBondContact O-CA 3.23Å; F77-Y84 HydrophobicContact CD2-CG 4.47Å; F77-H85 AromaticContact CE2-CE1 3.74Å; F77-H85 AromaticContact CE2-ND1 3.82Å; F77-H85 AromaticContact CZ-CE1 3.22Å; F77-H85 WeakPolarHBondContact CZ-CE1 3.45Å; F77-H85 AromaticContact CZ-ND1 3.68Å
78	F	80.8	Confident	73.1	Confident	120 Å²	120	71 Å²	71	53%	0.526	37%	0.367	S	S	.	.	H	α-helix	trans	-79.1	-30.6	178.2	-72.2	-62.1	0	0	0	113.2	T52 T74 D75	T52-F78 HydrophobicContact CG2-CE2 4.21Å; T52-F78 HydrophobicContact CG2-CZ 4.25Å; T74-F78 HydrophobicContact CG2-CD2 3.75Å; T74-F78 HydrophobicContact CG2-CE2 3.47Å; T74-F78 VanDerWaalsContact CG2-CE2 3.47Å; T74-F78 WeakPolarHBondContact O-CD2 3.03Å; T74-F78 PolarHBondContact O-N 3.46Å; T74-F78 VanDerWaalsContact O-N 3.08Å; D75-F78 PolarHBondContact O-N 3.42Å
79	Q	79.5	Confident	71	Confident	144 Å²	144	77.9 Å²	77.9	67%	0.673	40%	0.398	S	S	*	.	H	α-helix	trans	-76.9	-31.3	176.3	-71.7	176	4	0	0	112.7	D75	D75-Q79 VanDerWaalsContact O-CB 3.29Å; D75-Q79 WeakPolarHBondContact O-CB 3.36Å; D75-Q79 VanDerWaalsContact O-CG 3.23Å; D75-Q79 WeakPolarHBondContact O-CG 3.18Å; D75-Q79 PolarHBondContact O-N 2.93Å
80	N	73.2	Confident	69.1	Low	67 Å²	67	74.4 Å²	74.4	36%	0.358	39%	0.394	S	S	.	.			trans	-129.2	66.6	179.6	-56.8	-68.6	0	0	0	112	N76 F77 D82 L83	N76-N80 WeakPolarHBondContact O-CB 3.22Å; N76-N80 PolarHBondContact O-N 3.21Å; N76-N80 PolarHBondContact OD1-ND2 2.97Å; F77-N80 CarbonylContact O-C 3.56Å; N80-D82 PolarHBondContact O-N 3.23Å; N80-D82 VanDerWaalsContact O-N 3.09Å; N80-L83 HydrophobicContact CB-CB 4.43Å; N80-L83 HydrophobicContact CB-CD1 3.7Å; N80-L83 HydrophobicContact CB-CG 4.08Å; N80-L83 PolarHBondContact O-N 3.15Å
81	P	61.3	Low	67.6	Low	48 Å²	48	77.8 Å²	77.8	31%	0.312	42%	0.416	S	S	.	.	H	α-helix	trans	-55.9	-31.5	-178.9	-23.9	34.1	0	0	0	113.1	F77 L83 Y84 H85 L88	F77-P81 WeakPolarHBondContact O-CA 3.23Å; P81-L83 VanDerWaalsContact C-N 3.32Å; P81-L83 PolarHBondContact O-N 3.04Å; P81-Y84 PolarHBondContact O-N 3.06Å; P81-H85 WeakPolarHBondContact O-CB 3.41Å; P81-H85 PolarHBondContact O-N 2.85Å; P81-L88 HydrophobicContact CB-CD1 3.96Å
82	D	60.3	Low	66.9	Low	125 Å²	125	74.5 Å²	74.5	67%	0.668	40%	0.398	S	S	*	.	H	α-helix	trans	-69.5	-22.2	-175.9	-59.4	-35.8	0	0	0	114.4	N80	N80-D82 PolarHBondContact O-N 3.23Å; N80-D82 VanDerWaalsContact O-N 3.09Å
83	L	64.7	Low	66.9	Low	118 Å²	118	74.4 Å²	74.4	62%	0.618	40%	0.396	S	S	*	.	H	α-helix	trans	-81.7	-30.3	-179.9	-68.9	176.9	0	0	0	112.7	N80 P81	N80-L83 HydrophobicContact CB-CB 4.43Å; N80-L83 HydrophobicContact CB-CD1 3.7Å; N80-L83 HydrophobicContact CB-CG 4.08Å; N80-L83 PolarHBondContact O-N 3.15Å; P81-L83 VanDerWaalsContact C-N 3.32Å; P81-L83 PolarHBondContact O-N 3.04Å
84	Y	60.4	Low	66.9	Low	14 Å²	14	82 Å²	82	6%	0.055	43%	0.429	C	S	.	.	H	α-helix	trans	-118.5	-15.5	-166.5	-61.4	-69.6	0	0	0	113.8	T58 C62 Q65 N76 F77 P81 P86	T58-Y84 WeakPolarHBondContact CG2-O 3.34Å; T58-Y84 PolarHBondContact OG1-O 3.32Å; C62-Y84 HydrophobicContact CB-CD1 3.7Å; C62-Y84 HydrophobicContact CB-CE1 3.92Å; C62-Y84 HydrophobicContact CB-CG 4.23Å; Q65-Y84 PolarHBondContact OE1-OH 3.23Å; N76-Y84 PolarHBondContact ND2-OH 3.21Å; F77-Y84 HydrophobicContact CD2-CG 4.47Å; P81-Y84 PolarHBondContact O-N 3.06Å; Y84-P86 VanDerWaalsContact O-CD 3.23Å; Y84-P86 WeakPolarHBondContact O-CD 3.28Å
85	H	57.5	Low	67.1	Low	52 Å²	52	88 Å²	88	24%	0.241	45%	0.453	C	S	.	.			trans	-99.2	97.2	157.6	-79.4	112.1	0	0	0	109.8	F77 P81 N87 L88	F77-H85 AromaticContact CE2-CE1 3.74Å; F77-H85 AromaticContact CE2-ND1 3.82Å; F77-H85 AromaticContact CZ-CE1 3.22Å; F77-H85 WeakPolarHBondContact CZ-CE1 3.45Å; F77-H85 AromaticContact CZ-ND1 3.68Å; P81-H85 WeakPolarHBondContact O-CB 3.41Å; P81-H85 PolarHBondContact O-N 2.85Å; H85-N87 PolarHBondContact O-N 3.03Å; H85-L88 HydrophobicContact CB-CB 4.29Å; H85-L88 HydrophobicContact CB-CD1 4.01Å; H85-L88 HydrophobicContact CB-CG 4.2Å; H85-L88 PolarHBondContact O-N 3.44Å; H85-L88 VanDerWaalsContact O-N 3.15Å
86	P	46.3	Very low	67.4	Low	89 Å²	89	90.4 Å²	90.4	58%	0.578	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-16	162.7	-17.1	28.4	0	0	0	112.4	Y84	Y84-P86 VanDerWaalsContact O-CD 3.23Å; Y84-P86 WeakPolarHBondContact O-CD 3.28Å
87	N	42.1	Very low	68	Low	104 Å²	104	89 Å²	89	56%	0.556	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-1.9	-179.5	-71.4	-12.8	0	0	0	115	H85	H85-N87 PolarHBondContact O-N 3.03Å
88	L	42	Very low	68.6	Low	105 Å²	105	93 Å²	93	55%	0.55	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-16.1	174.6	-81	167.3	0	0	0	114.2	P81 H85 G90	P81-L88 HydrophobicContact CB-CD1 3.96Å; H85-L88 HydrophobicContact CB-CB 4.29Å; H85-L88 HydrophobicContact CB-CD1 4.01Å; H85-L88 HydrophobicContact CB-CG 4.2Å; H85-L88 PolarHBondContact O-N 3.44Å; H85-L88 VanDerWaalsContact O-N 3.15Å; L88-G90 PolarHBondContact O-N 3.39Å
89	K	44.3	Very low	69.3	Low	190 Å²	190	92.8 Å²	92.8	83%	0.826	47%	0.467	S	S	*	.	S	Bend	trans	-75.3	85.7	142.6	-89.7	-173.5	176	179.6	0	106	V91	K89-V91 PolarHBondContact O-N 3.49Å
90	G	50.9	Low	70.2	Confident	41 Å²	41	87 Å²	87	42%	0.423	44%	0.441	S	S	.	.			trans	-38.4	106.8	-173.1	0	0	0	0	0	110.6	L88 L92	L88-G90 PolarHBondContact O-N 3.39Å; G90-L92 PolarHBondContact O-N 2.92Å
91	V	56.8	Low	71.4	Confident	99 Å²	99	83.9 Å²	83.9	60%	0.6	42%	0.424	S	S	*	.			trans	-57.2	113.2	170.1	173.8	0	0	0	0	103.8	K89 D93	K89-V91 PolarHBondContact O-N 3.49Å; V91-D93 PolarHBondContact O-N 2.84Å
92	L	75.5	Confident	73.1	Confident	37 Å²	37	85.8 Å²	85.8	19%	0.194	43%	0.431	C	S	.	.			trans	-51.3	114.5	177	178.8	142	0	0	0	107.7	G90 K94 L97 A159 C163 D164	G90-L92 PolarHBondContact O-N 2.92Å; L92-K94 HydrophobicContact CD2-CB 4.44Å; L92-K94 HydrophobicContact CD2-CG 3.74Å; L92-K94 PolarHBondContact O-N 3.23Å; L92-L97 HydrophobicContact CD1-CD2 4.19Å; L92-L97 HydrophobicContact CD2-CB 4.42Å; L92-L97 HydrophobicContact CD2-CD2 3.87Å; L92-L97 HydrophobicContact CG-CD2 4.45Å; L92-A159 HydrophobicContact CD1-CB 3.6Å; L92-C163 WeakPolarHBondContact CD1-O 3.42Å; L92-D164 HydrophobicContact CG-CB 4.39Å
93	D	86.3	Confident	74.9	Confident	60 Å²	60	86.5 Å²	86.5	32%	0.321	42%	0.424	S	S	.	.			trans	-75.8	96.2	178	-176.1	-20.9	0	0	0	107.6	V91 K95 R96 L97 D164	V91-D93 PolarHBondContact O-N 2.84Å; D93-K95 PolarHBondContact O-N 2.76Å; D93-K95 VanDerWaalsContact O-N 3.17Å; D93-K95 WeakPolarHBondContact OD1-CB 3.45Å; D93-K95 PolarHBondContact OD1-N 3.42Å; D93-R96 HydrophobicContact CB-CB 3.95Å; D93-R96 HydrophobicContact CB-CG 4.06Å; D93-R96 PolarHBondContact O-N 2.91Å; D93-R96 VanDerWaalsContact O-N 3.1Å; D93-R96 PolarHBondContact OD1-N 2.94Å; D93-R96 VanDerWaalsContact OD1-N 3.12Å; D93-R96 WeakPolarHBondContact OD2-CD 3.32Å; D93-R96 WeakPolarHBondContact OD2-CG 3.29Å; D93-R96 IonicContact OD2-NE 3.61Å; D93-L97 PolarHBondContact O-N 3Å; D93-D164 PolarHBondContact N-OD2 3.25Å
94	K	86.5	Confident	76.5	Confident	160 Å²	160	81 Å²	81	70%	0.696	40%	0.396	S	S	*	.	H	α-helix	trans	-55.4	-33.9	-179.1	-70	-173.8	175.4	-172.2	0	112	L92 L97 E98	L92-K94 HydrophobicContact CD2-CB 4.44Å; L92-K94 HydrophobicContact CD2-CG 3.74Å; L92-K94 PolarHBondContact O-N 3.23Å; K94-L97 PolarHBondContact O-N 2.79Å; K94-E98 WeakPolarHBondContact O-CG 3.44Å; K94-E98 PolarHBondContact O-N 2.89Å
95	K	90.6	Very high	78.3	Confident	143 Å²	143	84.2 Å²	84.2	62%	0.622	41%	0.408	S	S	*	.	H	α-helix	trans	-71.7	-41.3	-179.9	-172.9	179.1	179	179.9	0	111	D93 L97 E98 Q99	D93-K95 PolarHBondContact O-N 2.76Å; D93-K95 VanDerWaalsContact O-N 3.17Å; D93-K95 WeakPolarHBondContact OD1-CB 3.45Å; D93-K95 PolarHBondContact OD1-N 3.42Å; K95-L97 VanDerWaalsContact C-N 3.34Å; K95-E98 PolarHBondContact O-N 3.27Å; K95-Q99 VanDerWaalsContact O-CG 3.3Å; K95-Q99 WeakPolarHBondContact O-CG 3.45Å; K95-Q99 PolarHBondContact O-N 3.25Å
96	R	92.8	Very high	80.1	Confident	146 Å²	146	83.7 Å²	83.7	55%	0.551	41%	0.407	S	S	*	.	H	α-helix	trans	-63	-42	172.2	-76.7	178.9	174.2	-176.9	-2.6	111.7	D93 E98 Q99 L100	D93-R96 HydrophobicContact CB-CB 3.95Å; D93-R96 HydrophobicContact CB-CG 4.06Å; D93-R96 PolarHBondContact O-N 2.91Å; D93-R96 VanDerWaalsContact O-N 3.1Å; D93-R96 PolarHBondContact OD1-N 2.94Å; D93-R96 VanDerWaalsContact OD1-N 3.12Å; D93-R96 WeakPolarHBondContact OD2-CD 3.32Å; D93-R96 WeakPolarHBondContact OD2-CG 3.29Å; D93-R96 IonicContact OD2-NE 3.61Å; R96-E98 PolarHBondContact O-N 3.33Å; R96-Q99 PolarHBondContact O-N 2.97Å; R96-L100 WeakPolarHBondContact O-CB 3.22Å; R96-L100 PolarHBondContact O-N 3.16Å
97	L	93.4	Very high	82.5	Confident	2 Å²	2	84.4 Å²	84.4	1%	0.01	41%	0.411	C	S	.	.	H	α-helix	trans	-63.2	-41.4	177.4	-177.8	59.8	0	0	0	112	L92 D93 K94 K95 L100 Y101 F154 M155 M158	L92-L97 HydrophobicContact CD1-CD2 4.19Å; L92-L97 HydrophobicContact CD2-CB 4.42Å; L92-L97 HydrophobicContact CD2-CD2 3.87Å; L92-L97 HydrophobicContact CG-CD2 4.45Å; D93-L97 PolarHBondContact O-N 3Å; K94-L97 PolarHBondContact O-N 2.79Å; K95-L97 VanDerWaalsContact C-N 3.34Å; L97-L100 WeakPolarHBondContact O-CB 3.49Å; L97-L100 PolarHBondContact O-N 3.27Å; L97-Y101 PolarHBondContact O-N 3.44Å; L97-F154 HydrophobicContact CD1-CD1 4.4Å; L97-F154 HydrophobicContact CD1-CE1 3.82Å; L97-M155 HydrophobicContact CB-CE 4.28Å; L97-M155 HydrophobicContact CD1-SD 4.43Å; L97-M155 HydrophobicContact CD2-CE 3.7Å; L97-M155 HydrophobicContact CD2-SD 4Å; L97-M155 HydrophobicContact CG-CE 3.69Å; L97-M155 HydrophobicContact CG-SD 3.68Å; L97-M158 HydrophobicContact CD1-CB 3.47Å; L97-M158 VanDerWaalsContact CD1-CB 3.47Å; L97-M158 HydrophobicContact CD1-CE 4.13Å; L97-M158 HydrophobicContact CD1-CG 3.72Å; L97-M158 HydrophobicContact CD2-CB 4.09Å; L97-M158 HydrophobicContact CG-CB 4.44Å
98	E	95.3	Very high	85	Confident	89 Å²	89	87.9 Å²	87.9	42%	0.416	42%	0.424	S	S	.	.	H	α-helix	trans	-63.4	-41.8	173.4	-77.2	-172.1	165.4	0	0	112.7	K94 K95 R96 L100 Y101 N102 R151 M155	K94-E98 WeakPolarHBondContact O-CG 3.44Å; K94-E98 PolarHBondContact O-N 2.89Å; K95-E98 PolarHBondContact O-N 3.27Å; R96-E98 PolarHBondContact O-N 3.33Å; E98-L100 VanDerWaalsContact C-N 3.27Å; E98-L100 PolarHBondContact O-N 2.86Å; E98-Y101 PolarHBondContact O-N 3.16Å; E98-N102 WeakPolarHBondContact O-CB 3.49Å; E98-N102 PolarHBondContact O-N 3.3Å; E98-N102 PolarHBondContact O-ND2 3.41Å; E98-R151 IonicContact OE1-NH2 3.22Å; E98-R151 PolarHBondContact OE1-NH2 2.83Å; E98-M155 HydrophobicContact CG-CE 3.78Å
99	Q	96.6	Very high	87.5	Confident	116 Å²	116	85.6 Å²	85.6	54%	0.542	41%	0.412	S	S	.	.	H	α-helix	trans	-62.1	-38.4	174.8	-73.5	173.1	-14.7	0	0	111.8	K95 R96 N102 R103	K95-Q99 VanDerWaalsContact O-CG 3.3Å; K95-Q99 WeakPolarHBondContact O-CG 3.45Å; K95-Q99 PolarHBondContact O-N 3.25Å; R96-Q99 PolarHBondContact O-N 2.97Å; Q99-N102 PolarHBondContact O-N 3.5Å; Q99-R103 PolarHBondContact O-N 3.15Å
100	L	97.3	Very high	89.9	Confident	22 Å²	22	80.8 Å²	80.8	12%	0.115	40%	0.396	C	S	.	.	H	α-helix	trans	-67.4	-44.4	176.6	-173.8	63.8	0	0	0	111.4	R96 L97 E98 N102 R103 Y104 F154 M158 I166	R96-L100 WeakPolarHBondContact O-CB 3.22Å; R96-L100 PolarHBondContact O-N 3.16Å; L97-L100 WeakPolarHBondContact O-CB 3.49Å; L97-L100 PolarHBondContact O-N 3.27Å; E98-L100 VanDerWaalsContact C-N 3.27Å; E98-L100 PolarHBondContact O-N 2.86Å; L100-N102 VanDerWaalsContact C-N 3.3Å; L100-N102 PolarHBondContact O-N 3.01Å; L100-R103 VanDerWaalsContact O-CB 3.28Å; L100-R103 WeakPolarHBondContact O-CB 3.28Å; L100-R103 PolarHBondContact O-N 3.04Å; L100-R103 VanDerWaalsContact O-N 3.12Å; L100-Y104 HydrophobicContact CD1-CE2 3.56Å; L100-Y104 HydrophobicContact CG-CE2 3.84Å; L100-Y104 VanDerWaalsContact O-CD2 3.22Å; L100-Y104 WeakPolarHBondContact O-CD2 3.46Å; L100-F154 HydrophobicContact CD2-CZ 4.15Å; L100-F154 HydrophobicContact CG-CE1 4.5Å; L100-F154 HydrophobicContact CG-CZ 4.09Å; L100-M158 HydrophobicContact CD2-CE 3.62Å; L100-I166 HydrophobicContact CD1-CD1 4.25Å; L100-I166 HydrophobicContact CD1-CG1 3.97Å; L100-I166 HydrophobicContact CD2-CD1 4.36Å
101	Y	98.2	Very high	92	Very high	2 Å²	2	84.2 Å²	84.2	1%	0.008	40%	0.404	C	S	.	.	H	α-helix	trans	-57	-45.1	172.4	174.4	-98.4	0	0	0	111.5	L97 E98 R103 Y104 R105 D110 K112 I113 R151 F154 M155	L97-Y101 PolarHBondContact O-N 3.44Å; E98-Y101 PolarHBondContact O-N 3.16Å; Y101-R103 PolarHBondContact O-N 3.21Å; Y101-R103 VanDerWaalsContact O-N 3.12Å; Y101-Y104 PolarHBondContact O-N 3.48Å; Y101-R105 HydrophobicContact CD1-CB 4.35Å; Y101-R105 HydrophobicContact CE1-CB 3.78Å; Y101-R105 PolarHBondContact O-N 3.24Å; Y101-D110 WeakPolarHBondContact CE1-O 3.27Å; Y101-D110 PolarHBondContact OH-O 3.46Å; Y101-K112 WeakPolarHBondContact OH-CA 3.36Å; Y101-K112 PolarHBondContact OH-N 3.13Å; Y101-I113 HydrophobicContact CD2-CD1 3.89Å; Y101-I113 HydrophobicContact CD2-CG1 4.11Å; Y101-I113 HydrophobicContact CE2-CD1 3.94Å; Y101-I113 HydrophobicContact CE2-CG1 3.7Å; Y101-R151 HydrophobicContact CD1-CG 4.12Å; Y101-R151 HydrophobicContact CD2-CG 4.18Å; Y101-R151 HydrophobicContact CE1-CB 4.19Å; Y101-R151 HydrophobicContact CE1-CG 3.7Å; Y101-R151 VanDerWaalsContact CE2-CA 3.46Å; Y101-R151 HydrophobicContact CE2-CB 3.77Å; Y101-R151 HydrophobicContact CE2-CG 3.78Å; Y101-R151 HydrophobicContact CG-CG 4.33Å; Y101-R151 WeakPolarHBondContact OH-CB 3.37Å; Y101-F154 HydrophobicContact CD2-CB 4.11Å; Y101-F154 AromaticContact CD2-CD1 3.75Å; Y101-F154 HydrophobicContact CD2-CD1 3.75Å; Y101-F154 HydrophobicContact CD2-CE1 4.44Å; Y101-F154 HydrophobicContact CD2-CG 4.02Å; Y101-F154 HydrophobicContact CE2-CB 4.5Å; Y101-F154 HydrophobicContact CG-CD1 4.33Å; Y101-M155 HydrophobicContact CG-SD 4.5Å
102	N	97.6	Very high	94	Very high	87 Å²	87	82.1 Å²	82.1	47%	0.465	39%	0.387	S	S	.	.	H	α-helix	trans	-62.8	-19.6	179.2	-70.8	-26.7	0	0	0	114	E98 Q99 L100	E98-N102 WeakPolarHBondContact O-CB 3.49Å; E98-N102 PolarHBondContact O-N 3.3Å; E98-N102 PolarHBondContact O-ND2 3.41Å; Q99-N102 PolarHBondContact O-N 3.5Å; L100-N102 VanDerWaalsContact C-N 3.3Å; L100-N102 PolarHBondContact O-N 3.01Å
103	R	97.8	Very high	95.1	Very high	140 Å²	140	80.4 Å²	80.4	53%	0.528	38%	0.378	S	S	.	.	H	α-helix	trans	-71.4	-31.9	173.5	179.3	177.2	169.1	72.7	0.7	112.3	Q99 L100 Y101 D124	Q99-R103 PolarHBondContact O-N 3.15Å; L100-R103 VanDerWaalsContact O-CB 3.28Å; L100-R103 WeakPolarHBondContact O-CB 3.28Å; L100-R103 PolarHBondContact O-N 3.04Å; L100-R103 VanDerWaalsContact O-N 3.12Å; Y101-R103 PolarHBondContact O-N 3.21Å; Y101-R103 VanDerWaalsContact O-N 3.12Å; R103-D124 IonicContact CZ-OD1 3.39Å; R103-D124 IonicContact CZ-OD2 3.5Å; R103-D124 IonicContact NE-OD2 2.66Å; R103-D124 PolarHBondContact NE-OD2 2.89Å; R103-D124 IonicContact NH2-OD1 3.05Å; R103-D124 PolarHBondContact NH2-OD1 2.93Å; R103-D124 IonicContact NH2-OD2 3.31Å; R103-D124 PolarHBondContact NH2-OD2 3.37Å
104	Y	98.2	Very high	95.6	Very high	3 Å²	3	78 Å²	78	1%	0.012	37%	0.368	C	S	.	.	H	α-helix	trans	-108.7	-16	-173	-52.1	-58.8	0	0	0	113.9	L100 Y101 I113 G117 Q120 F121 D124 F154 I166	L100-Y104 HydrophobicContact CD1-CE2 3.56Å; L100-Y104 HydrophobicContact CG-CE2 3.84Å; L100-Y104 VanDerWaalsContact O-CD2 3.22Å; L100-Y104 WeakPolarHBondContact O-CD2 3.46Å; Y101-Y104 PolarHBondContact O-N 3.48Å; Y104-I113 WeakPolarHBondContact O-CG2 3.47Å; Y104-G117 VanDerWaalsContact O-CA 3.26Å; Y104-G117 WeakPolarHBondContact O-CA 3.47Å; Y104-Q120 HydrophobicContact CD1-CB 4.16Å; Y104-Q120 HydrophobicContact CD1-CG 4.09Å; Y104-Q120 HydrophobicContact CE1-CB 4.35Å; Y104-Q120 HydrophobicContact CE1-CG 3.95Å; Y104-F121 HydrophobicContact CD1-CB 3.99Å; Y104-F121 HydrophobicContact CD2-CB 4.47Å; Y104-F121 HydrophobicContact CD2-CD2 4.09Å; Y104-F121 HydrophobicContact CE1-CB 4.02Å; Y104-F121 HydrophobicContact CE2-CB 4.49Å; Y104-F121 AromaticContact CE2-CD2 3.69Å; Y104-F121 HydrophobicContact CE2-CD2 3.69Å; Y104-F121 HydrophobicContact CE2-CE2 4.49Å; Y104-F121 HydrophobicContact CG-CB 4.24Å; Y104-F121 AromaticContact CZ-CD2 3.95Å; Y104-D124 VanDerWaalsContact CE1-OD2 3.23Å; Y104-D124 WeakPolarHBondContact CE1-OD2 3.39Å; Y104-D124 VanDerWaalsContact CZ-OD2 3.32Å; Y104-D124 PolarHBondContact OH-OD2 3.47Å; Y104-F154 HydrophobicContact CD2-CE2 4.21Å; Y104-F154 HydrophobicContact CD2-CZ 4.13Å; Y104-F154 HydrophobicContact CE2-CZ 4.35Å; Y104-I166 HydrophobicContact CE2-CD1 4.18Å; Y104-I166 VanDerWaalsContact OH-CD1 3.31Å; Y104-I166 WeakPolarHBondContact OH-CD1 3.49Å; Y104-I166 WeakPolarHBondContact OH-CG1 3.42Å
105	R	97.9	Very high	96	Very high	81 Å²	81	75.9 Å²	75.9	31%	0.306	36%	0.363	S	S	.	.	S	Bend	trans	-54.3	148.3	-177.9	71.1	176.8	-175	84.7	-15.8	112.3	Y101 D110 K112	Y101-R105 HydrophobicContact CD1-CB 4.35Å; Y101-R105 HydrophobicContact CE1-CB 3.78Å; Y101-R105 PolarHBondContact O-N 3.24Å; R105-D110 IonicContact CZ-OD1 2.94Å; R105-D110 VanDerWaalsContact CZ-OD1 3.24Å; R105-D110 IonicContact NE-OD1 2.75Å; R105-D110 IonicContact NH1-OD1 3.17Å; R105-D110 PolarHBondContact NH1-OD1 3.25Å; R105-D110 IonicContact NH2-OD1 3.33Å; R105-K112 CarbonylContact C-O 3.57Å; R105-K112 WeakPolarHBondContact CA-O 3.31Å
106	D	96.7	Very high	96.3	Very high	42 Å²	42	75.9 Å²	75.9	23%	0.225	37%	0.37	C	S	.	.			trans	-62.3	129.4	172.1	-169.3	-36.1	0	0	0	109.3	Q108 D109 K112	D106-Q108 PolarHBondContact O-N 3.43Å; D106-Q108 WeakPolarHBondContact OD1-CB 3.49Å; D106-Q108 PolarHBondContact OD1-N 2.93Å; D106-D109 HydrophobicContact CB-CB 4.36Å; D106-D109 CarbonylContact O-C 3.48Å; D106-D109 PolarHBondContact O-N 3.48Å; D106-K112 HydrophobicContact CB-CG 4.22Å; D106-K112 PolarHBondContact N-O 3.1Å
107	P	95.5	Very high	96.6	Very high	104 Å²	104	69.4 Å²	69.4	68%	0.675	35%	0.348	S	S	*	.	S	Bend	trans	-62.5	-21.1	175.6	-23.8	34.6	0	0	0	114.1
108	Q	95.1	Very high	96.8	Very high	177 Å²	177	70.5 Å²	70.5	83%	0.827	35%	0.354	S	S	*	.	S	Bend	trans	-100.1	-15.6	-178.9	-54.8	-57.5	-37.6	0	0	113.1	D106	D106-Q108 PolarHBondContact O-N 3.43Å; D106-Q108 WeakPolarHBondContact OD1-CB 3.49Å; D106-Q108 PolarHBondContact OD1-N 2.93Å
109	D	94.4	Very high	96.9	Very high	56 Å²	56	70.1 Å²	70.1	30%	0.299	35%	0.352	S	S	.	.			trans	-144.5	100.7	178.5	-174.5	-1	0	0	0	111.4	D106 N111 K112	D106-D109 HydrophobicContact CB-CB 4.36Å; D106-D109 CarbonylContact O-C 3.48Å; D106-D109 PolarHBondContact O-N 3.48Å; D109-N111 PolarHBondContact O-N 3.44Å; D109-N111 WeakPolarHBondContact OD1-CB 3.39Å; D109-N111 PolarHBondContact OD1-N 3Å; D109-N111 PolarHBondContact OD1-ND2 3.12Å; D109-K112 HydrophobicContact CB-CD 4.46Å; D109-K112 HydrophobicContact CB-CG 4.05Å; D109-K112 PolarHBondContact O-N 2.92Å
110	D	93.8	Very high	97	Very high	90 Å²	90	68.2 Å²	68.2	48%	0.481	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-12.9	-179.7	-71.4	-6	0	0	0	113.7	Y101 R105	Y101-D110 WeakPolarHBondContact CE1-O 3.27Å; Y101-D110 PolarHBondContact OH-O 3.46Å; R105-D110 IonicContact CZ-OD1 2.94Å; R105-D110 VanDerWaalsContact CZ-OD1 3.24Å; R105-D110 IonicContact NE-OD1 2.75Å; R105-D110 IonicContact NH1-OD1 3.17Å; R105-D110 PolarHBondContact NH1-OD1 3.25Å; R105-D110 IonicContact NH2-OD1 3.33Å
111	N	96.6	Very high	97	Very high	112 Å²	112	67.4 Å²	67.4	60%	0.599	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	0	-177.1	-56.6	-66.3	0	0	0	114.1	D109 S150 R151	D109-N111 PolarHBondContact O-N 3.44Å; D109-N111 WeakPolarHBondContact OD1-CB 3.39Å; D109-N111 PolarHBondContact OD1-N 3Å; D109-N111 PolarHBondContact OD1-ND2 3.12Å; N111-S150 CarbonylContact O-C 3.59Å; N111-S150 WeakPolarHBondContact O-CA 3.39Å; N111-R151 PolarHBondContact O-N 2.89Å
112	K	97.4	Very high	97	Very high	55 Å²	55	67.3 Å²	67.3	24%	0.239	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	164.2	176.7	67.2	-175.8	-171.1	169.5	0	114.1	Y101 R105 D106 D109 E148 F149	Y101-K112 WeakPolarHBondContact OH-CA 3.36Å; Y101-K112 PolarHBondContact OH-N 3.13Å; R105-K112 CarbonylContact C-O 3.57Å; R105-K112 WeakPolarHBondContact CA-O 3.31Å; D106-K112 HydrophobicContact CB-CG 4.22Å; D106-K112 PolarHBondContact N-O 3.1Å; D109-K112 HydrophobicContact CB-CD 4.46Å; D109-K112 HydrophobicContact CB-CG 4.05Å; D109-K112 PolarHBondContact O-N 2.92Å; K112-E148 WeakPolarHBondContact CD-OE2 3.28Å; K112-E148 IonicContact NZ-OE2 2.71Å; K112-E148 PolarHBondContact NZ-OE2 3.25Å; K112-F149 CarbonylContact C-O 3.46Å; K112-F149 VanDerWaalsContact CA-O 3.24Å; K112-F149 WeakPolarHBondContact CA-O 3.37Å; K112-F149 WeakPolarHBondContact CB-O 3.38Å
113	I	98.4	Very high	97	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	114.1	165.1	-63.6	171.2	0	0	0	105.1	Y101 Y104 I118 E148 F149 F154	Y101-I113 HydrophobicContact CD2-CD1 3.89Å; Y101-I113 HydrophobicContact CD2-CG1 4.11Å; Y101-I113 HydrophobicContact CE2-CD1 3.94Å; Y101-I113 HydrophobicContact CE2-CG1 3.7Å; Y104-I113 WeakPolarHBondContact O-CG2 3.47Å; I113-I118 HydrophobicContact CG2-CG1 3.94Å; I113-E148 CarbonylContact O-C 3.59Å; I113-E148 WeakPolarHBondContact O-CA 3.24Å; I113-E148 WeakPolarHBondContact O-CB 3.3Å; I113-F149 HydrophobicContact CB-CB 4.3Å; I113-F149 PolarHBondContact N-O 3.03Å; I113-F149 PolarHBondContact O-N 3.25Å; I113-F154 HydrophobicContact CD1-CB 4.09Å; I113-F154 HydrophobicContact CD1-CD2 3.43Å; I113-F154 VanDerWaalsContact CD1-CD2 3.43Å; I113-F154 HydrophobicContact CD1-CE2 3.96Å; I113-F154 HydrophobicContact CD1-CG 3.78Å
114	G	97.4	Very high	97	Very high	10 Å²	10	63 Å²	63	10%	0.103	33%	0.326	C	S	.	.			trans	-83.8	-169.4	175.5	0	0	0	0	0	112.9	D116 G117 I118	G114-D116 PolarHBondContact O-N 3.38Å; G114-G117 PolarHBondContact O-N 2.83Å; G114-G117 VanDerWaalsContact O-N 3.07Å; G114-I118 PolarHBondContact O-N 3.12Å
115	I	95.9	Very high	96.9	Very high	115 Å²	115	62.8 Å²	62.8	59%	0.59	33%	0.325	S	S	*	.	H	α-helix	trans	-54.8	-48	-176.8	-61.1	172	0	0	0	112	G117 I118 Q119 C147	I115-G117 VanDerWaalsContact C-N 3.28Å; I115-G117 PolarHBondContact O-N 3.31Å; I115-I118 PolarHBondContact O-N 3.41Å; I115-Q119 PolarHBondContact O-N 3.35Å; I115-C147 HydrophobicContact CD1-CB 4.26Å; I115-C147 HydrophobicContact CG1-CB 3.87Å; I115-C147 PolarHBondContact N-O 3.15Å
116	D	97	Very high	96.9	Very high	143 Å²	143	61.6 Å²	61.6	77%	0.765	34%	0.338	S	S	*	.	H	α-helix	trans	-62.5	-37.5	179.9	-63.7	-22.1	0	0	0	111.9	G114 Q119 Q120	G114-D116 PolarHBondContact O-N 3.38Å; D116-Q119 PolarHBondContact O-N 3.01Å; D116-Q120 PolarHBondContact O-N 3.04Å
117	G	97.9	Very high	96.9	Very high	10 Å²	10	61.1 Å²	61.1	10%	0.103	34%	0.335	C	S	.	.	H	α-helix	trans	-68.6	-40.9	176.6	0	0	0	0	0	112.8	Y104 G114 I115 Q120 F121	Y104-G117 VanDerWaalsContact O-CA 3.26Å; Y104-G117 WeakPolarHBondContact O-CA 3.47Å; G114-G117 PolarHBondContact O-N 2.83Å; G114-G117 VanDerWaalsContact O-N 3.07Å; I115-G117 VanDerWaalsContact C-N 3.28Å; I115-G117 PolarHBondContact O-N 3.31Å; G117-Q120 PolarHBondContact O-N 3.34Å; G117-F121 VanDerWaalsContact O-CB 3.29Å; G117-F121 WeakPolarHBondContact O-CB 3.37Å; G117-F121 PolarHBondContact O-N 3.17Å
118	I	97.6	Very high	96.8	Very high	25 Å²	25	61.2 Å²	61.2	13%	0.128	33%	0.33	C	S	.	.	H	α-helix	trans	-63.4	-42.6	173.6	-69.6	177	0	0	0	110.5	I113 G114 I115 F121 C122 C147 F149	I113-I118 HydrophobicContact CG2-CG1 3.94Å; G114-I118 PolarHBondContact O-N 3.12Å; I115-I118 PolarHBondContact O-N 3.41Å; I118-F121 WeakPolarHBondContact O-CB 3.39Å; I118-F121 PolarHBondContact O-N 3Å; I118-C122 PolarHBondContact O-N 3.42Å; I118-C122 PolarHBondContact O-SG 3.01Å; I118-C147 VanDerWaalsContact CD1-C 3.45Å; I118-F149 HydrophobicContact CG1-CD2 4.43Å
119	Q	97.5	Very high	96.7	Very high	82 Å²	82	55.2 Å²	55.2	38%	0.383	31%	0.306	S	S	.	.	H	α-helix	trans	-58.8	-51.3	176.3	-177.2	62.3	58.9	0	0	110.6	I115 D116 F121 C122 D123	I115-Q119 PolarHBondContact O-N 3.35Å; D116-Q119 PolarHBondContact O-N 3.01Å; Q119-F121 VanDerWaalsContact C-N 3.27Å; Q119-F121 PolarHBondContact O-N 3.47Å; Q119-C122 PolarHBondContact O-N 2.98Å; Q119-C122 VanDerWaalsContact O-N 3.13Å; Q119-D123 PolarHBondContact NE2-OD1 3.08Å; Q119-D123 VanDerWaalsContact O-CG 3.23Å; Q119-D123 PolarHBondContact O-N 3.05Å
120	Q	98.2	Very high	96.5	Very high	76 Å²	76	55.9 Å²	55.9	36%	0.355	32%	0.319	S	S	.	.	H	α-helix	trans	-61.8	-35.6	178.3	-174.1	61.7	77	0	0	112.5	Y104 D116 G117 D123 D124	Y104-Q120 HydrophobicContact CD1-CB 4.16Å; Y104-Q120 HydrophobicContact CD1-CG 4.09Å; Y104-Q120 HydrophobicContact CE1-CB 4.35Å; Y104-Q120 HydrophobicContact CE1-CG 3.95Å; D116-Q120 PolarHBondContact O-N 3.04Å; G117-Q120 PolarHBondContact O-N 3.34Å; Q120-D123 PolarHBondContact O-N 2.94Å; Q120-D124 PolarHBondContact NE2-OD1 3.18Å; Q120-D124 WeakPolarHBondContact O-CB 3.38Å; Q120-D124 VanDerWaalsContact O-CG 3.24Å; Q120-D124 PolarHBondContact O-N 3.49Å
121	F	98.1	Very high	96.5	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.018	31%	0.305	C	S	.	.	H	α-helix	trans	-65.3	-41.9	174.8	175.3	-107.7	0	0	0	112.1	Y104 G117 I118 Q119 L125 I137 F149 F154 I166 L169	Y104-F121 HydrophobicContact CD1-CB 3.99Å; Y104-F121 HydrophobicContact CD2-CB 4.47Å; Y104-F121 HydrophobicContact CD2-CD2 4.09Å; Y104-F121 HydrophobicContact CE1-CB 4.02Å; Y104-F121 HydrophobicContact CE2-CB 4.49Å; Y104-F121 AromaticContact CE2-CD2 3.69Å; Y104-F121 HydrophobicContact CE2-CD2 3.69Å; Y104-F121 HydrophobicContact CE2-CE2 4.49Å; Y104-F121 HydrophobicContact CG-CB 4.24Å; Y104-F121 AromaticContact CZ-CD2 3.95Å; G117-F121 VanDerWaalsContact O-CB 3.29Å; G117-F121 WeakPolarHBondContact O-CB 3.37Å; G117-F121 PolarHBondContact O-N 3.17Å; I118-F121 WeakPolarHBondContact O-CB 3.39Å; I118-F121 PolarHBondContact O-N 3Å; Q119-F121 VanDerWaalsContact C-N 3.27Å; Q119-F121 PolarHBondContact O-N 3.47Å; F121-L125 HydrophobicContact CD1-CD1 3.89Å; F121-L125 HydrophobicContact CD2-CD1 4.35Å; F121-L125 HydrophobicContact CE1-CD1 3.49Å; F121-L125 VanDerWaalsContact CE1-CD1 3.49Å; F121-L125 HydrophobicContact CE2-CD1 4Å; F121-L125 HydrophobicContact CG-CD1 4.32Å; F121-L125 HydrophobicContact CZ-CD1 3.58Å; F121-L125 WeakPolarHBondContact O-CG 3.48Å; F121-L125 PolarHBondContact O-N 3.13Å; F121-L125 VanDerWaalsContact O-N 3.08Å; F121-I137 HydrophobicContact CE1-CD1 4.22Å; F121-I137 HydrophobicContact CE1-CG2 4.09Å; F121-I137 HydrophobicContact CZ-CG2 4.22Å; F121-F149 HydrophobicContact CE1-CE2 4.34Å; F121-F154 HydrophobicContact CD2-CE2 4.2Å; F121-F154 AromaticContact CE2-CE2 3.85Å; F121-F154 HydrophobicContact CE2-CE2 3.85Å; F121-F154 HydrophobicContact CZ-CE2 4.4Å; F121-I166 HydrophobicContact CD2-CD1 3.75Å; F121-I166 HydrophobicContact CE2-CD1 3.63Å; F121-L169 HydrophobicContact CE2-CD2 3.9Å; F121-L169 HydrophobicContact CZ-CD2 3.44Å; F121-L169 VanDerWaalsContact CZ-CD2 3.44Å
122	C	97.8	Very high	96.5	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.3	-42.3	174.5	-64.5	0	0	0	0	111.5	I118 Q119 D124 L125 G126 L127 P129	I118-C122 PolarHBondContact O-N 3.42Å; I118-C122 PolarHBondContact O-SG 3.01Å; Q119-C122 PolarHBondContact O-N 2.98Å; Q119-C122 VanDerWaalsContact O-N 3.13Å; C122-D124 PolarHBondContact O-N 2.99Å; C122-L125 CarbonylContact O-C 3.54Å; C122-L125 PolarHBondContact O-N 2.89Å; C122-G126 PolarHBondContact O-N 2.58Å; C122-L127 PolarHBondContact O-N 2.75Å; C122-P129 HydrophobicContact CB-CG 4Å
123	D	98.1	Very high	96.4	Very high	85 Å²	85	48.2 Å²	48.2	46%	0.455	28%	0.284	S	S	.	.	H	α-helix	trans	-60.3	-45.9	176.9	-66.4	-14.8	0	0	0	111.3	Q119 Q120 L125 G126	Q119-D123 PolarHBondContact NE2-OD1 3.08Å; Q119-D123 VanDerWaalsContact O-CG 3.23Å; Q119-D123 PolarHBondContact O-N 3.05Å; Q120-D123 PolarHBondContact O-N 2.94Å; D123-L125 VanDerWaalsContact C-N 3.3Å; D123-L125 PolarHBondContact O-N 2.93Å; D123-G126 WeakPolarHBondContact O-CA 3.44Å; D123-G126 PolarHBondContact O-N 3.22Å
124	D	97.8	Very high	96.3	Very high	51 Å²	51	49 Å²	49	27%	0.273	29%	0.289	S	S	.	.	H	α-helix	trans	-64.7	-35	178	-71.8	-11.5	0	0	0	111.7	R103 Y104 Q120 C122 G126 I166	R103-D124 IonicContact CZ-OD1 3.39Å; R103-D124 IonicContact CZ-OD2 3.5Å; R103-D124 IonicContact NE-OD2 2.66Å; R103-D124 PolarHBondContact NE-OD2 2.89Å; R103-D124 IonicContact NH2-OD1 3.05Å; R103-D124 PolarHBondContact NH2-OD1 2.93Å; R103-D124 IonicContact NH2-OD2 3.31Å; R103-D124 PolarHBondContact NH2-OD2 3.37Å; Y104-D124 VanDerWaalsContact CE1-OD2 3.23Å; Y104-D124 WeakPolarHBondContact CE1-OD2 3.39Å; Y104-D124 VanDerWaalsContact CZ-OD2 3.32Å; Y104-D124 PolarHBondContact OH-OD2 3.47Å; Q120-D124 PolarHBondContact NE2-OD1 3.18Å; Q120-D124 WeakPolarHBondContact O-CB 3.38Å; Q120-D124 VanDerWaalsContact O-CG 3.24Å; Q120-D124 PolarHBondContact O-N 3.49Å; C122-D124 PolarHBondContact O-N 2.99Å; D124-G126 VanDerWaalsContact C-N 3.26Å; D124-I166 HydrophobicContact CB-CG1 4.31Å; D124-I166 HydrophobicContact CB-CG2 4.24Å; D124-I166 WeakPolarHBondContact O-CG2 3.49Å
125	L	96.6	Very high	96.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-72.9	-19.9	172.1	-75.2	165.1	0	0	0	112.7	F121 C122 D123 L127 I137 I166 L169 K170	F121-L125 HydrophobicContact CD1-CD1 3.89Å; F121-L125 HydrophobicContact CD2-CD1 4.35Å; F121-L125 HydrophobicContact CE1-CD1 3.49Å; F121-L125 VanDerWaalsContact CE1-CD1 3.49Å; F121-L125 HydrophobicContact CE2-CD1 4Å; F121-L125 HydrophobicContact CG-CD1 4.32Å; F121-L125 HydrophobicContact CZ-CD1 3.58Å; F121-L125 WeakPolarHBondContact O-CG 3.48Å; F121-L125 PolarHBondContact O-N 3.13Å; F121-L125 VanDerWaalsContact O-N 3.08Å; C122-L125 CarbonylContact O-C 3.54Å; C122-L125 PolarHBondContact O-N 2.89Å; D123-L125 VanDerWaalsContact C-N 3.3Å; D123-L125 PolarHBondContact O-N 2.93Å; L125-L127 HydrophobicContact CB-CB 4.47Å; L125-L127 HydrophobicContact CB-CD1 4.02Å; L125-L127 HydrophobicContact CB-CG 3.95Å; L125-L127 HydrophobicContact CD1-CD1 4.19Å; L125-I137 HydrophobicContact CD1-CD1 3.53Å; L125-I166 HydrophobicContact CD2-CG2 3.76Å; L125-I166 HydrophobicContact CG-CD1 4.48Å; L125-I166 HydrophobicContact CG-CG2 4.03Å; L125-L169 HydrophobicContact CD1-CD2 4.25Å; L125-L169 HydrophobicContact CD2-CB 4.41Å; L125-L169 HydrophobicContact CD2-CD2 4.15Å; L125-L169 HydrophobicContact CD2-CG 4.3Å; L125-K170 HydrophobicContact CD2-CB 4.09Å; L125-K170 WeakPolarHBondContact O-CD 3.46Å; L125-K170 VanDerWaalsContact O-CE 3.28Å; L125-K170 WeakPolarHBondContact O-CE 3.39Å; L125-K170 PolarHBondContact O-NZ 2.84Å
126	G	96.9	Very high	96.3	Very high	55 Å²	55	44 Å²	44	57%	0.567	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	41.2	-171.1	0	0	0	0	0	112.2	C122 D123 D124	C122-G126 PolarHBondContact O-N 2.58Å; D123-G126 WeakPolarHBondContact O-CA 3.44Å; D123-G126 PolarHBondContact O-N 3.22Å; D124-G126 VanDerWaalsContact C-N 3.26Å
127	L	96.1	Very high	96.3	Very high	33 Å²	33	37.2 Å²	37.2	17%	0.173	22%	0.224	C	C	.	.			trans	-115	148	178.2	-64.5	177.8	0	0	0	110.8	C122 L125 V134 I137 L173	C122-L127 PolarHBondContact O-N 2.75Å; L125-L127 HydrophobicContact CB-CB 4.47Å; L125-L127 HydrophobicContact CB-CD1 4.02Å; L125-L127 HydrophobicContact CB-CG 3.95Å; L125-L127 HydrophobicContact CD1-CD1 4.19Å; L127-V134 HydrophobicContact CB-CG2 3.93Å; L127-V134 HydrophobicContact CD1-CG2 3.97Å; L127-I137 HydrophobicContact CD1-CD1 4.03Å; L127-L173 HydrophobicContact CD1-CD1 3.94Å; L127-L173 HydrophobicContact CD2-CD1 4.28Å; L127-L173 HydrophobicContact CG-CD1 4.5Å
128	D	94.7	Very high	96.3	Very high	105 Å²	105	36.8 Å²	36.8	56%	0.561	22%	0.22	S	C	*	.			trans	-70.7	127.6	164.2	-177.5	-18.9	0	0	0	108.8	A130 S131 V134	D128-A130 PolarHBondContact O-N 3.13Å; D128-A130 VanDerWaalsContact O-N 3.13Å; D128-A130 PolarHBondContact OD1-N 3.3Å; D128-S131 WeakPolarHBondContact O-CB 3.49Å; D128-S131 PolarHBondContact O-N 3.23Å; D128-S131 PolarHBondContact O-OG 3.12Å; D128-V134 WeakPolarHBondContact O-CG2 3.49Å
129	P	92.3	Very high	96.3	Very high	52 Å²	52	36.4 Å²	36.4	34%	0.338	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-27.9	174.8	-26	33.1	0	0	0	114.5	C122 S131	C122-P129 HydrophobicContact CB-CG 4Å; P129-S131 VanDerWaalsContact C-N 3.32Å
130	A	90.8	Very high	96.3	Very high	69 Å²	69	34 Å²	34	57%	0.57	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-0.2	177.2	0	0	0	0	0	113.5	D128 L216	D128-A130 PolarHBondContact O-N 3.13Å; D128-A130 VanDerWaalsContact O-N 3.13Å; D128-A130 PolarHBondContact OD1-N 3.3Å; A130-L216 WeakPolarHBondContact O-CD1 3.29Å
131	S	94.6	Very high	96.3	Very high	27 Å²	27	30.5 Å²	30.5	19%	0.189	19%	0.188	C	C	.	.	S	Bend	trans	-73.7	151.8	-178	69	0	0	0	0	112.9	D128 P129 S133 V134 L135	D128-S131 WeakPolarHBondContact O-CB 3.49Å; D128-S131 PolarHBondContact O-N 3.23Å; D128-S131 PolarHBondContact O-OG 3.12Å; P129-S131 VanDerWaalsContact C-N 3.32Å; S131-S133 PolarHBondContact O-N 3.39Å; S131-V134 PolarHBondContact O-N 2.88Å; S131-V134 VanDerWaalsContact O-N 3.15Å; S131-V134 PolarHBondContact OG-N 3.23Å; S131-L135 PolarHBondContact O-N 3.26Å
132	I	94.9	Very high	96.3	Very high	52 Å²	52	36.4 Å²	36.4	27%	0.267	21%	0.21	S	C	.	.	H	α-helix	trans	-62.3	-28	175.1	-158.5	178.2	0	0	0	111.8	V134 L135 F136 F189 L216	I132-V134 VanDerWaalsContact C-N 3.34Å; I132-V134 PolarHBondContact O-N 3.35Å; I132-L135 CarbonylContact O-C 3.57Å; I132-L135 WeakPolarHBondContact O-CB 3.28Å; I132-L135 PolarHBondContact O-N 2.71Å; I132-F136 HydrophobicContact CB-CE2 4.48Å; I132-F136 HydrophobicContact CB-CZ 4.19Å; I132-F136 HydrophobicContact CD1-CE1 3.77Å; I132-F136 HydrophobicContact CD1-CE2 4.5Å; I132-F136 HydrophobicContact CD1-CZ 3.51Å; I132-F136 HydrophobicContact CG1-CD1 4.34Å; I132-F136 HydrophobicContact CG1-CE1 3.53Å; I132-F136 HydrophobicContact CG1-CE2 4.18Å; I132-F136 HydrophobicContact CG1-CZ 3.46Å; I132-F136 VanDerWaalsContact CG1-CZ 3.46Å; I132-F136 HydrophobicContact CG2-CE2 3.85Å; I132-F136 HydrophobicContact CG2-CZ 3.89Å; I132-F136 WeakPolarHBondContact O-CD1 3.42Å; I132-F136 WeakPolarHBondContact O-CD2 3.23Å; I132-F136 VanDerWaalsContact O-CG 3.26Å; I132-F136 WeakPolarHBondContact O-CG 3.39Å; I132-F136 PolarHBondContact O-N 3.12Å; I132-F189 HydrophobicContact CG1-CZ 4.45Å; I132-L216 HydrophobicContact CB-CD1 3.92Å; I132-L216 HydrophobicContact CB-CG 4.03Å; I132-L216 WeakPolarHBondContact CD1-O 3.47Å; I132-L216 HydrophobicContact CG1-CG 4.14Å
133	S	95.2	Very high	96.3	Very high	17 Å²	17	36.5 Å²	36.5	12%	0.119	21%	0.211	C	C	.	.	H	α-helix	trans	-63.5	-36.8	176.4	-52.7	0	0	0	0	112.4	S131 F136 I137	S131-S133 PolarHBondContact O-N 3.39Å; S133-F136 WeakPolarHBondContact O-CB 3.47Å; S133-F136 PolarHBondContact O-N 3.39Å; S133-I137 WeakPolarHBondContact O-CG1 3.31Å; S133-I137 PolarHBondContact O-N 2.94Å; S133-I137 VanDerWaalsContact O-N 3.13Å
134	V	96.6	Very high	96.3	Very high	19 Å²	19	35.7 Å²	35.7	12%	0.115	22%	0.216	C	C	.	.	H	α-helix	trans	-67.4	-40.4	174	173.7	0	0	0	0	110.6	L127 D128 S131 I132 F136 I137 A138	L127-V134 HydrophobicContact CB-CG2 3.93Å; L127-V134 HydrophobicContact CD1-CG2 3.97Å; D128-V134 WeakPolarHBondContact O-CG2 3.49Å; S131-V134 PolarHBondContact O-N 2.88Å; S131-V134 VanDerWaalsContact O-N 3.15Å; S131-V134 PolarHBondContact OG-N 3.23Å; I132-V134 VanDerWaalsContact C-N 3.34Å; I132-V134 PolarHBondContact O-N 3.35Å; V134-F136 VanDerWaalsContact C-N 3.29Å; V134-F136 PolarHBondContact O-N 3.18Å; V134-I137 WeakPolarHBondContact O-CB 3.38Å; V134-I137 PolarHBondContact O-N 3.04Å; V134-A138 PolarHBondContact O-N 3.1Å
135	L	97.3	Very high	96.2	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.037	21%	0.209	C	C	.	.	H	α-helix	trans	-64.1	-33.6	174.3	-174.1	57.6	0	0	0	112.3	S131 I132 A138 W139 F189 F192 T193 F196 Y213 L216 V217	S131-L135 PolarHBondContact O-N 3.26Å; I132-L135 CarbonylContact O-C 3.57Å; I132-L135 WeakPolarHBondContact O-CB 3.28Å; I132-L135 PolarHBondContact O-N 2.71Å; L135-A138 PolarHBondContact O-N 3Å; L135-W139 PolarHBondContact O-N 3.38Å; L135-F189 HydrophobicContact CB-CZ 4.42Å; L135-F189 HydrophobicContact CD2-CE2 4.2Å; L135-F189 HydrophobicContact CD2-CZ 3.69Å; L135-F189 HydrophobicContact CG-CE2 3.77Å; L135-F189 HydrophobicContact CG-CZ 3.74Å; L135-F192 HydrophobicContact CD1-CE1 4.32Å; L135-T193 HydrophobicContact CD1-CG2 4.5Å; L135-T193 HydrophobicContact CD2-CG2 3.91Å; L135-F196 HydrophobicContact CD1-CD1 3.64Å; L135-F196 HydrophobicContact CD1-CE1 3.75Å; L135-Y213 HydrophobicContact CD1-CE1 3.95Å; L135-Y213 HydrophobicContact CD2-CD1 3.84Å; L135-Y213 HydrophobicContact CD2-CE1 3.93Å; L135-L216 HydrophobicContact CB-CD2 4.41Å; L135-L216 HydrophobicContact CD2-CD2 3.9Å; L135-V217 HydrophobicContact CD2-CG1 3.62Å
136	F	95.9	Very high	96.1	Very high	12 Å²	12	35.7 Å²	35.7	5%	0.053	22%	0.216	C	C	.	.	H	α-helix	trans	-63.1	-44.3	171.7	-59.9	-27.7	0	0	0	111.8	I132 S133 V134 A138 W139 K140 E177 L180 F189	I132-F136 HydrophobicContact CB-CE2 4.48Å; I132-F136 HydrophobicContact CB-CZ 4.19Å; I132-F136 HydrophobicContact CD1-CE1 3.77Å; I132-F136 HydrophobicContact CD1-CE2 4.5Å; I132-F136 HydrophobicContact CD1-CZ 3.51Å; I132-F136 HydrophobicContact CG1-CD1 4.34Å; I132-F136 HydrophobicContact CG1-CE1 3.53Å; I132-F136 HydrophobicContact CG1-CE2 4.18Å; I132-F136 HydrophobicContact CG1-CZ 3.46Å; I132-F136 VanDerWaalsContact CG1-CZ 3.46Å; I132-F136 HydrophobicContact CG2-CE2 3.85Å; I132-F136 HydrophobicContact CG2-CZ 3.89Å; I132-F136 WeakPolarHBondContact O-CD1 3.42Å; I132-F136 WeakPolarHBondContact O-CD2 3.23Å; I132-F136 VanDerWaalsContact O-CG 3.26Å; I132-F136 WeakPolarHBondContact O-CG 3.39Å; I132-F136 PolarHBondContact O-N 3.12Å; S133-F136 WeakPolarHBondContact O-CB 3.47Å; S133-F136 PolarHBondContact O-N 3.39Å; V134-F136 VanDerWaalsContact C-N 3.29Å; V134-F136 PolarHBondContact O-N 3.18Å; F136-A138 VanDerWaalsContact C-N 3.32Å; F136-A138 PolarHBondContact O-N 3.29Å; F136-W139 PolarHBondContact O-N 3.24Å; F136-K140 VanDerWaalsContact O-CG 3.31Å; F136-K140 WeakPolarHBondContact O-CG 3.45Å; F136-K140 PolarHBondContact O-N 2.87Å; F136-E177 HydrophobicContact CD2-CG 3.87Å; F136-E177 HydrophobicContact CE2-CG 3.57Å; F136-L180 HydrophobicContact CD1-CD1 3.38Å; F136-L180 HydrophobicContact CE1-CD1 2.93Å; F136-L180 HydrophobicContact CE1-CG 4.43Å; F136-L180 HydrophobicContact CE2-CD1 4.21Å; F136-L180 HydrophobicContact CG-CD1 4.19Å; F136-L180 HydrophobicContact CZ-CD1 3.41Å; F136-L180 VanDerWaalsContact CZ-CD1 3.41Å; F136-F189 HydrophobicContact CD1-CD2 4.14Å; F136-F189 HydrophobicContact CD1-CE1 4.22Å; F136-F189 AromaticContact CD1-CE2 3.47Å; F136-F189 HydrophobicContact CD1-CE2 3.47Å; F136-F189 VanDerWaalsContact CD1-CE2 3.47Å; F136-F189 AromaticContact CD1-CZ 3.51Å; F136-F189 HydrophobicContact CD1-CZ 3.51Å; F136-F189 HydrophobicContact CE1-CD1 4.43Å; F136-F189 AromaticContact CE1-CE1 3.74Å; F136-F189 HydrophobicContact CE1-CE1 3.74Å; F136-F189 AromaticContact CE1-CE2 3.88Å; F136-F189 HydrophobicContact CE1-CE2 3.88Å; F136-F189 AromaticContact CE1-CZ 3.42Å; F136-F189 HydrophobicContact CE1-CZ 3.42Å; F136-F189 VanDerWaalsContact CE1-CZ 3.42Å
137	I	97.4	Very high	95.9	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-59	-47.9	175.6	-63	166.6	0	0	0	109.9	F121 L125 L127 S133 V134 W139 K140 F141 L169 L173	F121-I137 HydrophobicContact CE1-CD1 4.22Å; F121-I137 HydrophobicContact CE1-CG2 4.09Å; F121-I137 HydrophobicContact CZ-CG2 4.22Å; L125-I137 HydrophobicContact CD1-CD1 3.53Å; L127-I137 HydrophobicContact CD1-CD1 4.03Å; S133-I137 WeakPolarHBondContact O-CG1 3.31Å; S133-I137 PolarHBondContact O-N 2.94Å; S133-I137 VanDerWaalsContact O-N 3.13Å; V134-I137 WeakPolarHBondContact O-CB 3.38Å; V134-I137 PolarHBondContact O-N 3.04Å; I137-W139 VanDerWaalsContact C-N 3.3Å; I137-W139 PolarHBondContact O-N 3.4Å; I137-K140 PolarHBondContact O-N 2.86Å; I137-K140 VanDerWaalsContact O-N 3.15Å; I137-F141 HydrophobicContact CG2-CD1 3.94Å; I137-F141 HydrophobicContact CG2-CD2 4.37Å; I137-F141 HydrophobicContact CG2-CE1 3.78Å; I137-F141 HydrophobicContact CG2-CE2 4.22Å; I137-F141 HydrophobicContact CG2-CG 4.24Å; I137-F141 HydrophobicContact CG2-CZ 3.91Å; I137-F141 WeakPolarHBondContact O-CB 3.47Å; I137-F141 VanDerWaalsContact O-CD1 3.28Å; I137-F141 WeakPolarHBondContact O-CD1 3.28Å; I137-F141 WeakPolarHBondContact O-CG 3.22Å; I137-F141 PolarHBondContact O-N 2.84Å; I137-L169 HydrophobicContact CD1-CD2 4.4Å; I137-L169 HydrophobicContact CG2-CD2 4.46Å; I137-L173 HydrophobicContact CD1-CD2 3.96Å; I137-L173 HydrophobicContact CG1-CD2 3.78Å
138	A	98.3	Very high	95.8	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-57.1	-42.4	178.1	0	0	0	0	0	112.3	V134 L135 F136 F141 R142 A143 F149 F192 F196	V134-A138 PolarHBondContact O-N 3.1Å; L135-A138 PolarHBondContact O-N 3Å; F136-A138 VanDerWaalsContact C-N 3.32Å; F136-A138 PolarHBondContact O-N 3.29Å; A138-F141 CarbonylContact O-C 3.58Å; A138-F141 PolarHBondContact O-N 2.81Å; A138-R142 PolarHBondContact O-N 2.66Å; A138-A143 HydrophobicContact CB-CB 4.17Å; A138-A143 PolarHBondContact O-N 2.97Å; A138-F149 HydrophobicContact CB-CE1 4.04Å; A138-F149 HydrophobicContact CB-CZ 4.14Å; A138-F192 HydrophobicContact CB-CE1 4.37Å; A138-F192 HydrophobicContact CB-CZ 4.34Å; A138-F192 WeakPolarHBondContact O-CZ 3.45Å; A138-F196 HydrophobicContact CB-CD2 4.4Å; A138-F196 HydrophobicContact CB-CE1 4.3Å; A138-F196 HydrophobicContact CB-CE2 3.82Å; A138-F196 HydrophobicContact CB-CZ 3.75Å
139	W	98.2	Very high	96	Very high	16 Å²	16	33.6 Å²	33.6	6%	0.061	20%	0.195	C	C	.	.	H	α-helix	trans	-63.1	-46.6	174.8	170.7	59.2	0	0	0	112.7	L135 F136 I137 F141 R142 L180 K185 D188 F189 F192	L135-W139 PolarHBondContact O-N 3.38Å; F136-W139 PolarHBondContact O-N 3.24Å; I137-W139 VanDerWaalsContact C-N 3.3Å; I137-W139 PolarHBondContact O-N 3.4Å; W139-F141 PolarHBondContact O-N 2.93Å; W139-R142 PolarHBondContact O-N 2.69Å; W139-L180 HydrophobicContact CE3-CD2 4.45Å; W139-L180 HydrophobicContact CH2-CD2 3.91Å; W139-L180 HydrophobicContact CZ3-CD2 3.82Å; W139-L180 HydrophobicContact CZ3-CG 4.38Å; W139-K185 HydrophobicContact CH2-CB 4.39Å; W139-K185 HydrophobicContact CH2-CD 4.37Å; W139-K185 HydrophobicContact CZ2-CD 4.48Å; W139-D188 PolarHBondContact NE1-OD2 3.39Å; W139-F189 HydrophobicContact CB-CD2 3.69Å; W139-F189 HydrophobicContact CB-CE2 4.06Å; W139-F189 HydrophobicContact CD2-CB 4.07Å; W139-F189 AromaticContact CD2-CD2 3.79Å; W139-F189 HydrophobicContact CD2-CD2 3.79Å; W139-F189 HydrophobicContact CD2-CG 4.41Å; W139-F189 HydrophobicContact CE3-CB 4.48Å; W139-F189 HydrophobicContact CE3-CD2 4.05Å; W139-F189 HydrophobicContact CG-CB 4.4Å; W139-F189 AromaticContact CG-CD2 3.64Å; W139-F189 HydrophobicContact CG-CD2 3.64Å; W139-F189 HydrophobicContact CG-CE2 4.48Å; W139-F189 HydrophobicContact CZ2-CB 4.29Å; W139-F192 HydrophobicContact CB-CD1 3.64Å; W139-F192 HydrophobicContact CB-CE1 3.71Å; W139-F192 HydrophobicContact CB-CG 4.24Å; W139-F192 HydrophobicContact CB-CZ 4.34Å; W139-F192 AromaticContact CD1-CD1 3.86Å; W139-F192 AromaticContact CD1-CG 3.6Å; W139-F192 HydrophobicContact CG-CD1 4.12Å; W139-F192 HydrophobicContact CG-CG 4.3Å
140	K	96.6	Very high	96.3	Very high	32 Å²	32	32.9 Å²	32.9	14%	0.139	19%	0.191	C	C	.	.	H	α-helix	trans	-64.7	-29.5	177.4	-63.5	-57.8	-66.9	-166.8	0	112.4	F136 I137 R142 M176 E179	F136-K140 VanDerWaalsContact O-CG 3.31Å; F136-K140 WeakPolarHBondContact O-CG 3.45Å; F136-K140 PolarHBondContact O-N 2.87Å; I137-K140 PolarHBondContact O-N 2.86Å; I137-K140 VanDerWaalsContact O-N 3.15Å; K140-R142 VanDerWaalsContact C-N 3.27Å; K140-M176 HydrophobicContact CB-CE 4.37Å; K140-M176 HydrophobicContact CD-CG 4.47Å; K140-M176 HydrophobicContact CG-CE 4.04Å; K140-M176 HydrophobicContact CG-CG 4.04Å; K140-M176 HydrophobicContact CG-SD 3.82Å; K140-E179 IonicContact NZ-OE1 3.5Å; K140-E179 PolarHBondContact NZ-OE1 3.14Å; K140-E179 IonicContact NZ-OE2 2.69Å; K140-E179 PolarHBondContact NZ-OE2 3.12Å
141	F	97.9	Very high	96.6	Very high	2 Å²	2	34 Å²	34	1%	0.009	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-6.3	176.8	-76.3	32.1	0	0	0	112.1	I137 A138 W139 A143 F154 M158 Q161 L169	I137-F141 HydrophobicContact CG2-CD1 3.94Å; I137-F141 HydrophobicContact CG2-CD2 4.37Å; I137-F141 HydrophobicContact CG2-CE1 3.78Å; I137-F141 HydrophobicContact CG2-CE2 4.22Å; I137-F141 HydrophobicContact CG2-CG 4.24Å; I137-F141 HydrophobicContact CG2-CZ 3.91Å; I137-F141 WeakPolarHBondContact O-CB 3.47Å; I137-F141 VanDerWaalsContact O-CD1 3.28Å; I137-F141 WeakPolarHBondContact O-CD1 3.28Å; I137-F141 WeakPolarHBondContact O-CG 3.22Å; I137-F141 PolarHBondContact O-N 2.84Å; A138-F141 CarbonylContact O-C 3.58Å; A138-F141 PolarHBondContact O-N 2.81Å; W139-F141 PolarHBondContact O-N 2.93Å; F141-A143 PolarHBondContact O-N 3.5Å; F141-F154 AromaticContact CE2-CD2 3.88Å; F141-F154 HydrophobicContact CE2-CD2 3.88Å; F141-F154 HydrophobicContact CE2-CE2 4.36Å; F141-F154 HydrophobicContact CE2-CG 4.41Å; F141-M158 HydrophobicContact CE1-SD 4.45Å; F141-M158 HydrophobicContact CE2-CG 4Å; F141-M158 HydrophobicContact CE2-SD 4.47Å; F141-M158 HydrophobicContact CZ-CG 3.6Å; F141-M158 HydrophobicContact CZ-SD 3.63Å; F141-Q161 HydrophobicContact CE1-CG 4.34Å; F141-L169 HydrophobicContact CE1-CD1 4.26Å; F141-L169 HydrophobicContact CZ-CD1 4.46Å; F141-L169 HydrophobicContact CZ-CD2 4.24Å
142	R	98.1	Very high	96.8	Very high	128 Å²	128	39.1 Å²	39.1	48%	0.483	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	41.5	-173.7	-59.2	-178.7	-67.8	-87.9	0.2	112.1	A138 W139 K140 A144 E160	A138-R142 PolarHBondContact O-N 2.66Å; W139-R142 PolarHBondContact O-N 2.69Å; K140-R142 VanDerWaalsContact C-N 3.27Å; R142-A144 PolarHBondContact O-N 3.22Å; R142-E160 IonicContact CZ-OE1 2.61Å; R142-E160 IonicContact CZ-OE2 3.24Å; R142-E160 VanDerWaalsContact NH1-CD 3.32Å; R142-E160 IonicContact NH1-OE1 2.74Å; R142-E160 PolarHBondContact NH1-OE1 3.18Å; R142-E160 IonicContact NH1-OE2 3.95Å; R142-E160 PolarHBondContact NH1-OE2 3.44Å; R142-E160 IonicContact NH2-OE1 2.66Å; R142-E160 PolarHBondContact NH2-OE1 3.43Å; R142-E160 IonicContact NH2-OE2 3.76Å; R142-E160 PolarHBondContact NH2-OE2 3.15Å
143	A	98.2	Very high	96.9	Very high	2 Å²	2	38.3 Å²	38.3	2%	0.017	20%	0.196	C	C	.	.			trans	-59.3	130.9	-179.9	0	0	0	0	0	111.2	A138 F141 F149 E153 F192 F196	A138-A143 HydrophobicContact CB-CB 4.17Å; A138-A143 PolarHBondContact O-N 2.97Å; F141-A143 PolarHBondContact O-N 3.5Å; A143-F149 HydrophobicContact CB-CD1 3.57Å; A143-F149 HydrophobicContact CB-CE1 3.39Å; A143-E153 WeakPolarHBondContact CA-OE1 3.08Å; A143-F192 HydrophobicContact CB-CZ 4.48Å; A143-F192 WeakPolarHBondContact O-CE2 3.24Å; A143-F192 WeakPolarHBondContact O-CZ 3.41Å; A143-F196 HydrophobicContact CB-CD2 3.96Å; A143-F196 HydrophobicContact CB-CE2 3.74Å
144	A	97.3	Very high	97.1	Very high	68 Å²	68	37.5 Å²	37.5	56%	0.562	19%	0.19	S	C	*	.	S	Bend	trans	-74.1	-35.1	-173.9	0	0	0	0	0	112.9	R142 E153	R142-A144 PolarHBondContact O-N 3.22Å; A144-E153 VanDerWaalsContact CB-OE1 3.29Å; A144-E153 WeakPolarHBondContact CB-OE1 3.36Å; A144-E153 PolarHBondContact N-OE1 2.68Å
145	T	95.8	Very high	97.1	Very high	20 Å²	20	37.8 Å²	37.8	12%	0.123	19%	0.191	C	C	.	.	S	Bend	trans	-149.9	153.4	-177.3	-161.2	0	0	0	0	111	E148 F196 P200	T145-E148 HydrophobicContact CG2-CG 3.74Å; T145-F196 VanDerWaalsContact C-CE2 3.43Å; T145-F196 WeakPolarHBondContact CA-O 3.24Å; T145-F196 VanDerWaalsContact O-CE2 3.24Å; T145-F196 WeakPolarHBondContact O-CE2 3.47Å; T145-P200 HydrophobicContact CG2-CG 4.5Å
146	Q	94.3	Very high	96.9	Very high	32 Å²	32	40.4 Å²	40.4	15%	0.15	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	165.4	173.9	63.3	179.6	-34.1	0	0	112.6	E148 F196 A197 Y213	Q146-E148 PolarHBondContact O-N 3.4Å; Q146-E148 VanDerWaalsContact O-N 3.17Å; Q146-F196 VanDerWaalsContact CA-CZ 3.49Å; Q146-F196 HydrophobicContact CB-CD1 4.21Å; Q146-F196 HydrophobicContact CB-CE1 3.71Å; Q146-F196 HydrophobicContact CB-CE2 4.17Å; Q146-F196 HydrophobicContact CB-CZ 3.7Å; Q146-F196 PolarHBondContact N-O 3.17Å; Q146-A197 PolarHBondContact NE2-O 3.28Å; Q146-Y213 PolarHBondContact OE1-OH 3.17Å
147	C	92.8	Very high	96.9	Very high	71 Å²	71	39.9 Å²	39.9	48%	0.48	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	-2.8	179	-55.7	0	0	0	0	116.1	I115 I118	I115-C147 HydrophobicContact CD1-CB 4.26Å; I115-C147 HydrophobicContact CG1-CB 3.87Å; I115-C147 PolarHBondContact N-O 3.15Å; I118-C147 VanDerWaalsContact CD1-C 3.45Å
148	E	95.4	Very high	96.9	Very high	72 Å²	72	39.8 Å²	39.8	34%	0.336	20%	0.202	S	C	.	.			trans	-148.9	155.8	169.1	58.6	-178.7	-149.9	0	0	112.5	K112 I113 T145 Q146	K112-E148 WeakPolarHBondContact CD-OE2 3.28Å; K112-E148 IonicContact NZ-OE2 2.71Å; K112-E148 PolarHBondContact NZ-OE2 3.25Å; I113-E148 CarbonylContact O-C 3.59Å; I113-E148 WeakPolarHBondContact O-CA 3.24Å; I113-E148 WeakPolarHBondContact O-CB 3.3Å; T145-E148 HydrophobicContact CG2-CG 3.74Å; Q146-E148 PolarHBondContact O-N 3.4Å; Q146-E148 VanDerWaalsContact O-N 3.17Å
149	F	97.8	Very high	96.4	Very high	6 Å²	6	42 Å²	42	3%	0.026	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129.1	159.8	-67.4	-36	0	0	0	108.7	K112 I113 I118 F121 A138 A143	K112-F149 CarbonylContact C-O 3.46Å; K112-F149 VanDerWaalsContact CA-O 3.24Å; K112-F149 WeakPolarHBondContact CA-O 3.37Å; K112-F149 WeakPolarHBondContact CB-O 3.38Å; I113-F149 HydrophobicContact CB-CB 4.3Å; I113-F149 PolarHBondContact N-O 3.03Å; I113-F149 PolarHBondContact O-N 3.25Å; I118-F149 HydrophobicContact CG1-CD2 4.43Å; F121-F149 HydrophobicContact CE1-CE2 4.34Å; A138-F149 HydrophobicContact CB-CE1 4.04Å; A138-F149 HydrophobicContact CB-CZ 4.14Å; A143-F149 HydrophobicContact CB-CD1 3.57Å; A143-F149 HydrophobicContact CB-CE1 3.39Å
150	S	98.4	Very high	96.1	Very high	37 Å²	37	46.3 Å²	46.3	26%	0.259	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	157.6	167.3	68.5	0	0	0	0	110.7	N111 Q152 E153 F154	N111-S150 CarbonylContact O-C 3.59Å; N111-S150 WeakPolarHBondContact O-CA 3.39Å; S150-Q152 PolarHBondContact O-N 3.33Å; S150-E153 WeakPolarHBondContact CB-OE2 3.47Å; S150-E153 PolarHBondContact N-OE2 2.87Å; S150-E153 PolarHBondContact O-N 3.33Å; S150-E153 WeakPolarHBondContact OG-CB 3.49Å; S150-E153 WeakPolarHBondContact OG-CG 3.24Å; S150-E153 PolarHBondContact OG-N 3.49Å; S150-E153 VanDerWaalsContact OG-N 3.16Å; S150-E153 PolarHBondContact OG-OE2 2.88Å; S150-F154 PolarHBondContact O-N 2.89Å; S150-F154 VanDerWaalsContact O-N 3.09Å
151	R	98.1	Very high	95.8	Very high	92 Å²	92	45.9 Å²	45.9	35%	0.347	24%	0.24	S	C	.	.	H	α-helix	trans	-53.1	-42.8	172	-170.9	173	-175.3	-83.7	1.6	111.5	E98 Y101 N111 F154 M155	E98-R151 IonicContact OE1-NH2 3.22Å; E98-R151 PolarHBondContact OE1-NH2 2.83Å; Y101-R151 HydrophobicContact CD1-CG 4.12Å; Y101-R151 HydrophobicContact CD2-CG 4.18Å; Y101-R151 HydrophobicContact CE1-CB 4.19Å; Y101-R151 HydrophobicContact CE1-CG 3.7Å; Y101-R151 VanDerWaalsContact CE2-CA 3.46Å; Y101-R151 HydrophobicContact CE2-CB 3.77Å; Y101-R151 HydrophobicContact CE2-CG 3.78Å; Y101-R151 HydrophobicContact CG-CG 4.33Å; Y101-R151 WeakPolarHBondContact OH-CB 3.37Å; N111-R151 PolarHBondContact O-N 2.89Å; R151-F154 PolarHBondContact O-N 3.13Å; R151-M155 HydrophobicContact CG-CG 4.05Å; R151-M155 WeakPolarHBondContact O-CB 3.31Å; R151-M155 WeakPolarHBondContact O-CG 3.46Å; R151-M155 PolarHBondContact O-N 3.31Å
152	Q	97.6	Very high	95.3	Very high	135 Å²	135	47.8 Å²	47.8	63%	0.631	26%	0.26	S	S	*	.	H	α-helix	trans	-64.4	-48.7	-177.7	-175.8	169.4	11.5	0	0	111.4	S150 F154 M155 D156	S150-Q152 PolarHBondContact O-N 3.33Å; Q152-F154 VanDerWaalsContact C-N 3.32Å; Q152-F154 PolarHBondContact O-N 3.17Å; Q152-M155 PolarHBondContact O-N 2.9Å; Q152-D156 WeakPolarHBondContact CG-OD2 3.29Å; Q152-D156 PolarHBondContact NE2-OD2 2.91Å; Q152-D156 VanDerWaalsContact O-CB 3.26Å; Q152-D156 WeakPolarHBondContact O-CB 3.37Å; Q152-D156 PolarHBondContact O-N 3.44Å
153	E	98.4	Very high	94.9	Very high	34 Å²	34	41.7 Å²	41.7	16%	0.159	24%	0.237	C	C	.	.	H	α-helix	trans	-59.2	-43	178.7	-70.5	156.3	157.1	0	0	111.9	A143 A144 S150 G157	A143-E153 WeakPolarHBondContact CA-OE1 3.08Å; A144-E153 VanDerWaalsContact CB-OE1 3.29Å; A144-E153 WeakPolarHBondContact CB-OE1 3.36Å; A144-E153 PolarHBondContact N-OE1 2.68Å; S150-E153 WeakPolarHBondContact CB-OE2 3.47Å; S150-E153 PolarHBondContact N-OE2 2.87Å; S150-E153 PolarHBondContact O-N 3.33Å; S150-E153 WeakPolarHBondContact OG-CB 3.49Å; S150-E153 WeakPolarHBondContact OG-CG 3.24Å; S150-E153 PolarHBondContact OG-N 3.49Å; S150-E153 VanDerWaalsContact OG-N 3.16Å; S150-E153 PolarHBondContact OG-OE2 2.88Å; E153-G157 WeakPolarHBondContact O-CA 3.26Å; E153-G157 PolarHBondContact O-N 3.43Å
154	F	98.4	Very high	94.6	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64	-48.9	177.3	-174.6	-89.9	0	0	0	112	L97 L100 Y101 Y104 I113 F121 F141 S150 R151 Q152 M158	L97-F154 HydrophobicContact CD1-CD1 4.4Å; L97-F154 HydrophobicContact CD1-CE1 3.82Å; L100-F154 HydrophobicContact CD2-CZ 4.15Å; L100-F154 HydrophobicContact CG-CE1 4.5Å; L100-F154 HydrophobicContact CG-CZ 4.09Å; Y101-F154 HydrophobicContact CD2-CB 4.11Å; Y101-F154 AromaticContact CD2-CD1 3.75Å; Y101-F154 HydrophobicContact CD2-CD1 3.75Å; Y101-F154 HydrophobicContact CD2-CE1 4.44Å; Y101-F154 HydrophobicContact CD2-CG 4.02Å; Y101-F154 HydrophobicContact CE2-CB 4.5Å; Y101-F154 HydrophobicContact CG-CD1 4.33Å; Y104-F154 HydrophobicContact CD2-CE2 4.21Å; Y104-F154 HydrophobicContact CD2-CZ 4.13Å; Y104-F154 HydrophobicContact CE2-CZ 4.35Å; I113-F154 HydrophobicContact CD1-CB 4.09Å; I113-F154 HydrophobicContact CD1-CD2 3.43Å; I113-F154 VanDerWaalsContact CD1-CD2 3.43Å; I113-F154 HydrophobicContact CD1-CE2 3.96Å; I113-F154 HydrophobicContact CD1-CG 3.78Å; F121-F154 HydrophobicContact CD2-CE2 4.2Å; F121-F154 AromaticContact CE2-CE2 3.85Å; F121-F154 HydrophobicContact CE2-CE2 3.85Å; F121-F154 HydrophobicContact CZ-CE2 4.4Å; F141-F154 AromaticContact CE2-CD2 3.88Å; F141-F154 HydrophobicContact CE2-CD2 3.88Å; F141-F154 HydrophobicContact CE2-CE2 4.36Å; F141-F154 HydrophobicContact CE2-CG 4.41Å; S150-F154 PolarHBondContact O-N 2.89Å; S150-F154 VanDerWaalsContact O-N 3.09Å; R151-F154 PolarHBondContact O-N 3.13Å; Q152-F154 VanDerWaalsContact C-N 3.32Å; Q152-F154 PolarHBondContact O-N 3.17Å; F154-M158 HydrophobicContact CD1-CG 4.33Å; F154-M158 HydrophobicContact CE1-CG 4.05Å; F154-M158 HydrophobicContact CE2-CG 4.42Å; F154-M158 HydrophobicContact CZ-CG 4.09Å; F154-M158 VanDerWaalsContact O-CB 3.28Å; F154-M158 WeakPolarHBondContact O-CB 3.29Å; F154-M158 VanDerWaalsContact O-CG 3.24Å; F154-M158 WeakPolarHBondContact O-CG 3.46Å; F154-M158 PolarHBondContact O-N 2.91Å
155	M	96.3	Very high	94.4	Very high	26 Å²	26	40 Å²	40	13%	0.128	22%	0.22	C	C	.	.	H	α-helix	trans	-68	-46.3	-176.3	-64.7	-65	-67.5	0	0	111.6	L97 E98 Y101 R151 Q152 A159	L97-M155 HydrophobicContact CB-CE 4.28Å; L97-M155 HydrophobicContact CD1-SD 4.43Å; L97-M155 HydrophobicContact CD2-CE 3.7Å; L97-M155 HydrophobicContact CD2-SD 4Å; L97-M155 HydrophobicContact CG-CE 3.69Å; L97-M155 HydrophobicContact CG-SD 3.68Å; E98-M155 HydrophobicContact CG-CE 3.78Å; Y101-M155 HydrophobicContact CG-SD 4.5Å; R151-M155 HydrophobicContact CG-CG 4.05Å; R151-M155 WeakPolarHBondContact O-CB 3.31Å; R151-M155 WeakPolarHBondContact O-CG 3.46Å; R151-M155 PolarHBondContact O-N 3.31Å; Q152-M155 PolarHBondContact O-N 2.9Å; M155-A159 VanDerWaalsContact O-CB 3.24Å; M155-A159 WeakPolarHBondContact O-CB 3.17Å; M155-A159 PolarHBondContact O-N 3.23Å
156	D	94.9	Very high	94.4	Very high	62 Å²	62	39.7 Å²	39.7	33%	0.332	22%	0.218	S	C	.	.	H	α-helix	trans	-68.5	-44.1	179.7	-69.1	-11.3	0	0	0	110.4	Q152 A159 E160	Q152-D156 WeakPolarHBondContact CG-OD2 3.29Å; Q152-D156 PolarHBondContact NE2-OD2 2.91Å; Q152-D156 VanDerWaalsContact O-CB 3.26Å; Q152-D156 WeakPolarHBondContact O-CB 3.37Å; Q152-D156 PolarHBondContact O-N 3.44Å; D156-A159 PolarHBondContact O-N 3.25Å; D156-E160 WeakPolarHBondContact O-CB 3.36Å; D156-E160 WeakPolarHBondContact O-CG 3.47Å; D156-E160 PolarHBondContact O-N 3.26Å
157	G	95.9	Very high	94.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.4	-51.8	177.9	0	0	0	0	0	112.4	E153 A159 E160 Q161	E153-G157 WeakPolarHBondContact O-CA 3.26Å; E153-G157 PolarHBondContact O-N 3.43Å; G157-A159 VanDerWaalsContact C-N 3.26Å; G157-A159 PolarHBondContact O-N 3.16Å; G157-E160 PolarHBondContact O-N 3.02Å; G157-Q161 VanDerWaalsContact O-CG 3.29Å; G157-Q161 WeakPolarHBondContact O-CG 3.44Å; G157-Q161 PolarHBondContact O-N 2.88Å
158	M	95.4	Very high	94.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.5	-40.4	174.8	-75.1	-66.7	-83.5	0	0	111.8	L97 L100 F141 F154 Q161 G162 C163 L169	L97-M158 HydrophobicContact CD1-CB 3.47Å; L97-M158 VanDerWaalsContact CD1-CB 3.47Å; L97-M158 HydrophobicContact CD1-CE 4.13Å; L97-M158 HydrophobicContact CD1-CG 3.72Å; L97-M158 HydrophobicContact CD2-CB 4.09Å; L97-M158 HydrophobicContact CG-CB 4.44Å; L100-M158 HydrophobicContact CD2-CE 3.62Å; F141-M158 HydrophobicContact CE1-SD 4.45Å; F141-M158 HydrophobicContact CE2-CG 4Å; F141-M158 HydrophobicContact CE2-SD 4.47Å; F141-M158 HydrophobicContact CZ-CG 3.6Å; F141-M158 HydrophobicContact CZ-SD 3.63Å; F154-M158 HydrophobicContact CD1-CG 4.33Å; F154-M158 HydrophobicContact CE1-CG 4.05Å; F154-M158 HydrophobicContact CE2-CG 4.42Å; F154-M158 HydrophobicContact CZ-CG 4.09Å; F154-M158 VanDerWaalsContact O-CB 3.28Å; F154-M158 WeakPolarHBondContact O-CB 3.29Å; F154-M158 VanDerWaalsContact O-CG 3.24Å; F154-M158 WeakPolarHBondContact O-CG 3.46Å; F154-M158 PolarHBondContact O-N 2.91Å; M158-Q161 CarbonylContact O-C 3.57Å; M158-Q161 PolarHBondContact O-N 3Å; M158-G162 PolarHBondContact O-N 3.41Å; M158-G162 VanDerWaalsContact O-N 3.12Å; M158-C163 CarbonylContact C-O 3.54Å; M158-C163 HydrophobicContact CE-CB 3.7Å; M158-C163 PolarHBondContact O-N 2.96Å; M158-C163 HydrophobicContact SD-CB 3.86Å; M158-L169 HydrophobicContact CE-CB 4.46Å; M158-L169 HydrophobicContact SD-CB 4.23Å; M158-L169 HydrophobicContact SD-CD1 4.16Å; M158-L169 HydrophobicContact SD-CD2 3.82Å; M158-L169 HydrophobicContact SD-CG 4.29Å
159	A	89.4	Confident	94.4	Very high	46 Å²	46	41.6 Å²	41.6	38%	0.38	22%	0.218	S	C	.	.	H	α-helix	trans	-67.6	-42.1	-179.7	0	0	0	0	0	114.5	L92 M155 D156 G157 Q161 G162	L92-A159 HydrophobicContact CD1-CB 3.6Å; M155-A159 VanDerWaalsContact O-CB 3.24Å; M155-A159 WeakPolarHBondContact O-CB 3.17Å; M155-A159 PolarHBondContact O-N 3.23Å; D156-A159 PolarHBondContact O-N 3.25Å; G157-A159 VanDerWaalsContact C-N 3.26Å; G157-A159 PolarHBondContact O-N 3.16Å; A159-Q161 VanDerWaalsContact C-N 3.29Å; A159-Q161 PolarHBondContact O-N 3.18Å; A159-G162 PolarHBondContact O-N 2.95Å
160	E	90.9	Very high	94.2	Very high	107 Å²	107	46.2 Å²	46.2	50%	0.5	24%	0.238	S	C	.	.	H	α-helix	trans	-68.5	-30.5	175.2	-71.7	179.1	-169	0	0	112.5	R142 D156 G157 G162	R142-E160 IonicContact CZ-OE1 2.61Å; R142-E160 IonicContact CZ-OE2 3.24Å; R142-E160 VanDerWaalsContact NH1-CD 3.32Å; R142-E160 IonicContact NH1-OE1 2.74Å; R142-E160 PolarHBondContact NH1-OE1 3.18Å; R142-E160 IonicContact NH1-OE2 3.95Å; R142-E160 PolarHBondContact NH1-OE2 3.44Å; R142-E160 IonicContact NH2-OE1 2.66Å; R142-E160 PolarHBondContact NH2-OE1 3.43Å; R142-E160 IonicContact NH2-OE2 3.76Å; R142-E160 PolarHBondContact NH2-OE2 3.15Å; D156-E160 WeakPolarHBondContact O-CB 3.36Å; D156-E160 WeakPolarHBondContact O-CG 3.47Å; D156-E160 PolarHBondContact O-N 3.26Å; G157-E160 PolarHBondContact O-N 3.02Å; E160-G162 PolarHBondContact O-N 3Å
161	Q	90.1	Very high	93.9	Very high	24 Å²	24	47.6 Å²	47.6	11%	0.112	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-3	170.6	-61	-37.7	-70	0	0	113	F141 G157 M158 A159 C163 L169 M176	F141-Q161 HydrophobicContact CE1-CG 4.34Å; G157-Q161 VanDerWaalsContact O-CG 3.29Å; G157-Q161 WeakPolarHBondContact O-CG 3.44Å; G157-Q161 PolarHBondContact O-N 2.88Å; M158-Q161 CarbonylContact O-C 3.57Å; M158-Q161 PolarHBondContact O-N 3Å; A159-Q161 VanDerWaalsContact C-N 3.29Å; A159-Q161 PolarHBondContact O-N 3.18Å; Q161-C163 HydrophobicContact CB-CB 4.42Å; Q161-C163 PolarHBondContact O-N 3.37Å; Q161-C163 PolarHBondContact O-SG 3.33Å; Q161-L169 HydrophobicContact CG-CD1 4.45Å; Q161-M176 HydrophobicContact CG-CE 3.71Å
162	G	86.9	Confident	93.6	Very high	42 Å²	42	45.4 Å²	45.4	43%	0.433	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	30.9	-176.8	0	0	0	0	0	113.2	M158 A159 E160	M158-G162 PolarHBondContact O-N 3.41Å; M158-G162 VanDerWaalsContact O-N 3.12Å; A159-G162 PolarHBondContact O-N 2.95Å; E160-G162 PolarHBondContact O-N 3Å
163	C	91.2	Very high	93.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.219	C	C	.	.			trans	-111.9	136.5	-173.9	-64.6	0	0	0	0	111.2	L92 M158 Q161 K168 L169	L92-C163 WeakPolarHBondContact CD1-O 3.42Å; M158-C163 CarbonylContact C-O 3.54Å; M158-C163 HydrophobicContact CE-CB 3.7Å; M158-C163 PolarHBondContact O-N 2.96Å; M158-C163 HydrophobicContact SD-CB 3.86Å; Q161-C163 HydrophobicContact CB-CB 4.42Å; Q161-C163 PolarHBondContact O-N 3.37Å; Q161-C163 PolarHBondContact O-SG 3.33Å; C163-K168 HydrophobicContact CB-CB 4.14Å; C163-K168 VanDerWaalsContact SG-C 3.54Å; C163-L169 HydrophobicContact CB-CB 4.29Å; C163-L169 VanDerWaalsContact SG-CA 3.56Å; C163-L169 PolarHBondContact SG-N 3.02Å
164	D	90.5	Very high	93.1	Very high	9 Å²	9	41.2 Å²	41.2	5%	0.048	23%	0.232	C	C	.	.	S	Bend	trans	-129.6	11.2	174.6	57.7	15.2	0	0	0	111.7	L92 D93 K168	L92-D164 HydrophobicContact CG-CB 4.39Å; D93-D164 PolarHBondContact N-OD2 3.25Å; D164-K168 VanDerWaalsContact OD1-CD 3.27Å; D164-K168 WeakPolarHBondContact OD1-CD 3.38Å; D164-K168 VanDerWaalsContact OD1-CE 3.22Å; D164-K168 WeakPolarHBondContact OD1-CE 3.47Å; D164-K168 IonicContact OD1-NZ 2.76Å; D164-K168 PolarHBondContact OD1-NZ 3.29Å; D164-K168 IonicContact OD2-NZ 2.84Å; D164-K168 PolarHBondContact OD2-NZ 3.26Å
165	S	93.3	Very high	92.7	Very high	26 Å²	26	46.6 Å²	46.6	18%	0.182	26%	0.256	C	S	.	.	S	Bend	trans	-159.1	155.1	-172.9	41.7	0	0	0	0	110.2	E167 K168 L169	S165-E167 VanDerWaalsContact C-N 3.31Å; S165-E167 WeakPolarHBondContact CB-OE2 3.49Å; S165-E167 PolarHBondContact O-N 3.15Å; S165-K168 PolarHBondContact O-N 2.92Å; S165-K168 WeakPolarHBondContact OG-CD 3.39Å; S165-K168 WeakPolarHBondContact OG-CG 3.38Å; S165-L169 PolarHBondContact O-N 3.46Å; S165-L169 VanDerWaalsContact O-N 3.16Å
166	I	96.4	Very high	92.4	Very high	13 Å²	13	45.4 Å²	45.4	7%	0.067	25%	0.25	C	C	.	.	H	α-helix	trans	-65.8	-36.5	-179.8	-65.8	-62.4	0	0	0	111.1	L100 Y104 F121 D124 L125 K168 L169 K170	L100-I166 HydrophobicContact CD1-CD1 4.25Å; L100-I166 HydrophobicContact CD1-CG1 3.97Å; L100-I166 HydrophobicContact CD2-CD1 4.36Å; Y104-I166 HydrophobicContact CE2-CD1 4.18Å; Y104-I166 VanDerWaalsContact OH-CD1 3.31Å; Y104-I166 WeakPolarHBondContact OH-CD1 3.49Å; Y104-I166 WeakPolarHBondContact OH-CG1 3.42Å; F121-I166 HydrophobicContact CD2-CD1 3.75Å; F121-I166 HydrophobicContact CE2-CD1 3.63Å; D124-I166 HydrophobicContact CB-CG1 4.31Å; D124-I166 HydrophobicContact CB-CG2 4.24Å; D124-I166 WeakPolarHBondContact O-CG2 3.49Å; L125-I166 HydrophobicContact CD2-CG2 3.76Å; L125-I166 HydrophobicContact CG-CD1 4.48Å; L125-I166 HydrophobicContact CG-CG2 4.03Å; I166-K168 VanDerWaalsContact C-N 3.34Å; I166-K168 PolarHBondContact O-N 3.09Å; I166-L169 PolarHBondContact O-N 2.87Å; I166-K170 VanDerWaalsContact O-CB 3.31Å; I166-K170 WeakPolarHBondContact O-CB 3.31Å; I166-K170 PolarHBondContact O-N 2.65Å
167	E	93.6	Very high	92.2	Very high	140 Å²	140	46.7 Å²	46.7	65%	0.654	25%	0.254	S	S	*	.	H	α-helix	trans	-63	-42	178.9	-61.6	73.4	-161.6	0	0	111.3	S165 A171	S165-E167 VanDerWaalsContact C-N 3.31Å; S165-E167 WeakPolarHBondContact CB-OE2 3.49Å; S165-E167 PolarHBondContact O-N 3.15Å; E167-A171 WeakPolarHBondContact O-CB 3.26Å; E167-A171 PolarHBondContact O-N 2.91Å
168	K	92.9	Very high	92	Very high	75 Å²	75	52.5 Å²	52.5	33%	0.326	28%	0.281	S	S	.	.	H	α-helix	trans	-65.2	-44.6	175.3	-74.3	-176.1	-171.4	170.5	0	111.3	C163 D164 S165 I166 A171 Q172	C163-K168 HydrophobicContact CB-CB 4.14Å; C163-K168 VanDerWaalsContact SG-C 3.54Å; D164-K168 VanDerWaalsContact OD1-CD 3.27Å; D164-K168 WeakPolarHBondContact OD1-CD 3.38Å; D164-K168 VanDerWaalsContact OD1-CE 3.22Å; D164-K168 WeakPolarHBondContact OD1-CE 3.47Å; D164-K168 IonicContact OD1-NZ 2.76Å; D164-K168 PolarHBondContact OD1-NZ 3.29Å; D164-K168 IonicContact OD2-NZ 2.84Å; D164-K168 PolarHBondContact OD2-NZ 3.26Å; S165-K168 PolarHBondContact O-N 2.92Å; S165-K168 WeakPolarHBondContact OG-CD 3.39Å; S165-K168 WeakPolarHBondContact OG-CG 3.38Å; I166-K168 VanDerWaalsContact C-N 3.34Å; I166-K168 PolarHBondContact O-N 3.09Å; K168-A171 PolarHBondContact O-N 3.37Å; K168-Q172 WeakPolarHBondContact O-CG 3.44Å; K168-Q172 PolarHBondContact O-N 3.02Å
169	L	95.8	Very high	91.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-44.8	178.8	-177.3	63.9	0	0	0	111.3	F121 L125 I137 F141 M158 Q161 C163 S165 I166 A171 Q172 L173 M176	F121-L169 HydrophobicContact CE2-CD2 3.9Å; F121-L169 HydrophobicContact CZ-CD2 3.44Å; F121-L169 VanDerWaalsContact CZ-CD2 3.44Å; L125-L169 HydrophobicContact CD1-CD2 4.25Å; L125-L169 HydrophobicContact CD2-CB 4.41Å; L125-L169 HydrophobicContact CD2-CD2 4.15Å; L125-L169 HydrophobicContact CD2-CG 4.3Å; I137-L169 HydrophobicContact CD1-CD2 4.4Å; I137-L169 HydrophobicContact CG2-CD2 4.46Å; F141-L169 HydrophobicContact CE1-CD1 4.26Å; F141-L169 HydrophobicContact CZ-CD1 4.46Å; F141-L169 HydrophobicContact CZ-CD2 4.24Å; M158-L169 HydrophobicContact CE-CB 4.46Å; M158-L169 HydrophobicContact SD-CB 4.23Å; M158-L169 HydrophobicContact SD-CD1 4.16Å; M158-L169 HydrophobicContact SD-CD2 3.82Å; M158-L169 HydrophobicContact SD-CG 4.29Å; Q161-L169 HydrophobicContact CG-CD1 4.45Å; C163-L169 HydrophobicContact CB-CB 4.29Å; C163-L169 VanDerWaalsContact SG-CA 3.56Å; C163-L169 PolarHBondContact SG-N 3.02Å; S165-L169 PolarHBondContact O-N 3.46Å; S165-L169 VanDerWaalsContact O-N 3.16Å; I166-L169 PolarHBondContact O-N 2.87Å; L169-A171 VanDerWaalsContact C-N 3.26Å; L169-A171 PolarHBondContact O-N 2.81Å; L169-Q172 WeakPolarHBondContact O-CA 3.37Å; L169-Q172 WeakPolarHBondContact O-CB 3.47Å; L169-Q172 PolarHBondContact O-N 3.01Å; L169-L173 PolarHBondContact O-N 3.32Å; L169-M176 HydrophobicContact CD1-CE 3.91Å
170	K	94.6	Very high	91.8	Very high	103 Å²	103	53.7 Å²	53.7	45%	0.448	28%	0.279	S	S	.	.	H	α-helix	trans	-57.6	-39.7	175.3	-170.5	168.5	-176	156.2	0	111.9	L125 I166 Q172 L173	L125-K170 HydrophobicContact CD2-CB 4.09Å; L125-K170 WeakPolarHBondContact O-CD 3.46Å; L125-K170 VanDerWaalsContact O-CE 3.28Å; L125-K170 WeakPolarHBondContact O-CE 3.39Å; L125-K170 PolarHBondContact O-NZ 2.84Å; I166-K170 VanDerWaalsContact O-CB 3.31Å; I166-K170 WeakPolarHBondContact O-CB 3.31Å; I166-K170 PolarHBondContact O-N 2.65Å; K170-Q172 PolarHBondContact O-N 3.38Å; K170-L173 HydrophobicContact CG-CD1 4.35Å; K170-L173 WeakPolarHBondContact O-CB 3.24Å; K170-L173 PolarHBondContact O-N 2.93Å
171	A	91.9	Very high	91.9	Very high	66 Å²	66	56.3 Å²	56.3	55%	0.545	29%	0.288	S	S	.	.	H	α-helix	trans	-68.8	-16.6	175.3	0	0	0	0	0	114.1	E167 K168 L169	E167-A171 WeakPolarHBondContact O-CB 3.26Å; E167-A171 PolarHBondContact O-N 2.91Å; K168-A171 PolarHBondContact O-N 3.37Å; L169-A171 VanDerWaalsContact C-N 3.26Å; L169-A171 PolarHBondContact O-N 2.81Å
172	Q	90.9	Very high	92.1	Very high	45 Å²	45	59.4 Å²	59.4	21%	0.21	31%	0.306	C	S	.	.	H	α-helix	trans	-85.2	-22.2	173.5	-62.1	-62.8	-22.6	0	0	113.2	K168 L169 K170 K175 M176	K168-Q172 WeakPolarHBondContact O-CG 3.44Å; K168-Q172 PolarHBondContact O-N 3.02Å; L169-Q172 WeakPolarHBondContact O-CA 3.37Å; L169-Q172 WeakPolarHBondContact O-CB 3.47Å; L169-Q172 PolarHBondContact O-N 3.01Å; K170-Q172 PolarHBondContact O-N 3.38Å; Q172-K175 WeakPolarHBondContact O-CA 3.37Å; Q172-K175 WeakPolarHBondContact O-CB 3.38Å; Q172-K175 PolarHBondContact O-N 3.33Å; Q172-K175 VanDerWaalsContact OE1-CD 3.27Å; Q172-M176 HydrophobicContact CB-CE 3.87Å; Q172-M176 PolarHBondContact O-N 3.33Å
173	L	92.4	Very high	92.5	Very high	14 Å²	14	64.6 Å²	64.6	7%	0.073	32%	0.318	C	S	.	.	H	α-helix	trans	-51.9	-46.6	-176.4	-67.6	171.7	0	0	0	113.8	L127 I137 L169 K170 K175 M176 E177	L127-L173 HydrophobicContact CD1-CD1 3.94Å; L127-L173 HydrophobicContact CD2-CD1 4.28Å; L127-L173 HydrophobicContact CG-CD1 4.5Å; I137-L173 HydrophobicContact CD1-CD2 3.96Å; I137-L173 HydrophobicContact CG1-CD2 3.78Å; L169-L173 PolarHBondContact O-N 3.32Å; K170-L173 HydrophobicContact CG-CD1 4.35Å; K170-L173 WeakPolarHBondContact O-CB 3.24Å; K170-L173 PolarHBondContact O-N 2.93Å; L173-K175 PolarHBondContact O-N 2.96Å; L173-M176 HydrophobicContact CD2-SD 4.09Å; L173-M176 WeakPolarHBondContact O-CB 3.48Å; L173-M176 PolarHBondContact O-N 3.38Å; L173-M176 VanDerWaalsContact O-N 3.15Å; L173-E177 PolarHBondContact O-N 3.49Å
174	P	93.1	Very high	92.7	Very high	68 Å²	68	66.8 Å²	66.8	44%	0.442	34%	0.342	S	S	.	.	H	α-helix	trans	-63.1	-28.8	178.5	-22.8	35.1	0	0	0	113.2	Q178	P174-Q178 VanDerWaalsContact O-CG 3.29Å; P174-Q178 WeakPolarHBondContact O-CG 3.41Å; P174-Q178 PolarHBondContact O-N 3.31Å; P174-Q178 VanDerWaalsContact O-N 3.16Å
175	K	90.6	Very high	93	Very high	113 Å²	113	71 Å²	71	49%	0.491	36%	0.36	S	S	.	.	H	α-helix	trans	-74.5	-41.6	176.5	-64.2	172.4	-177.1	171.3	0	110.9	Q172 L173 E177 Q178 E179	Q172-K175 WeakPolarHBondContact O-CA 3.37Å; Q172-K175 WeakPolarHBondContact O-CB 3.38Å; Q172-K175 PolarHBondContact O-N 3.33Å; Q172-K175 VanDerWaalsContact OE1-CD 3.27Å; L173-K175 PolarHBondContact O-N 2.96Å; K175-E177 VanDerWaalsContact C-N 3.28Å; K175-E177 PolarHBondContact O-N 3.16Å; K175-Q178 WeakPolarHBondContact O-CB 3.26Å; K175-Q178 PolarHBondContact O-N 3.3Å; K175-Q178 VanDerWaalsContact O-N 3.13Å; K175-E179 PolarHBondContact O-N 3.34Å
176	M	90.7	Very high	93.2	Very high	1 Å²	1	70.3 Å²	70.3	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-58.2	-43.2	174.2	-60.9	175.2	-179	0	0	111	K140 Q161 L169 Q172 L173 Q178 E179	K140-M176 HydrophobicContact CB-CE 4.37Å; K140-M176 HydrophobicContact CD-CG 4.47Å; K140-M176 HydrophobicContact CG-CE 4.04Å; K140-M176 HydrophobicContact CG-CG 4.04Å; K140-M176 HydrophobicContact CG-SD 3.82Å; Q161-M176 HydrophobicContact CG-CE 3.71Å; L169-M176 HydrophobicContact CD1-CE 3.91Å; Q172-M176 HydrophobicContact CB-CE 3.87Å; Q172-M176 PolarHBondContact O-N 3.33Å; L173-M176 HydrophobicContact CD2-SD 4.09Å; L173-M176 WeakPolarHBondContact O-CB 3.48Å; L173-M176 PolarHBondContact O-N 3.38Å; L173-M176 VanDerWaalsContact O-N 3.15Å; M176-Q178 VanDerWaalsContact C-N 3.34Å; M176-Q178 PolarHBondContact O-N 3.48Å; M176-E179 WeakPolarHBondContact O-CB 3.19Å; M176-E179 PolarHBondContact O-N 3.4Å
177	E	89.8	Confident	93.3	Very high	88 Å²	88	73 Å²	73	41%	0.411	36%	0.364	S	S	.	.	H	α-helix	trans	-61.5	-40.3	174.9	-76.7	172.5	-169.9	0	0	112.8	F136 L173 K175 E179 L180	F136-E177 HydrophobicContact CD2-CG 3.87Å; F136-E177 HydrophobicContact CE2-CG 3.57Å; L173-E177 PolarHBondContact O-N 3.49Å; K175-E177 VanDerWaalsContact C-N 3.28Å; K175-E177 PolarHBondContact O-N 3.16Å; E177-E179 VanDerWaalsContact C-N 3.34Å; E177-E179 PolarHBondContact O-N 2.94Å; E177-L180 PolarHBondContact O-N 2.98Å
178	Q	92.1	Very high	93.5	Very high	123 Å²	123	70.4 Å²	70.4	58%	0.575	36%	0.355	S	S	*	.	H	α-helix	trans	-66.1	-34.2	176.4	-74.6	175.6	19.6	0	0	112.8	P174 K175 M176 L180 K181	P174-Q178 VanDerWaalsContact O-CG 3.29Å; P174-Q178 WeakPolarHBondContact O-CG 3.41Å; P174-Q178 PolarHBondContact O-N 3.31Å; P174-Q178 VanDerWaalsContact O-N 3.16Å; K175-Q178 WeakPolarHBondContact O-CB 3.26Å; K175-Q178 PolarHBondContact O-N 3.3Å; K175-Q178 VanDerWaalsContact O-N 3.13Å; M176-Q178 VanDerWaalsContact C-N 3.34Å; M176-Q178 PolarHBondContact O-N 3.48Å; Q178-L180 PolarHBondContact O-N 3.36Å; Q178-K181 WeakPolarHBondContact O-CB 3.31Å; Q178-K181 PolarHBondContact O-N 3.07Å; Q178-K181 VanDerWaalsContact O-N 3.15Å
179	E	90.3	Very high	93.8	Very high	65 Å²	65	66.9 Å²	66.9	30%	0.304	34%	0.339	S	S	.	.	H	α-helix	trans	-58.5	-32	176	-70.5	-179.9	-166.5	0	0	112	K140 K175 M176 E177 K181 D182 K185	K140-E179 IonicContact NZ-OE1 3.5Å; K140-E179 PolarHBondContact NZ-OE1 3.14Å; K140-E179 IonicContact NZ-OE2 2.69Å; K140-E179 PolarHBondContact NZ-OE2 3.12Å; K175-E179 PolarHBondContact O-N 3.34Å; M176-E179 WeakPolarHBondContact O-CB 3.19Å; M176-E179 PolarHBondContact O-N 3.4Å; E177-E179 VanDerWaalsContact C-N 3.34Å; E177-E179 PolarHBondContact O-N 2.94Å; E179-K181 PolarHBondContact O-N 2.95Å; E179-D182 WeakPolarHBondContact O-CB 3.4Å; E179-D182 PolarHBondContact O-N 2.91Å; E179-D182 VanDerWaalsContact O-N 3.1Å; E179-K185 WeakPolarHBondContact O-CB 3.24Å
180	L	90.6	Very high	93.9	Very high	5 Å²	5	66.9 Å²	66.9	3%	0.026	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	5.6	-178.5	-62.6	178.8	0	0	0	114.7	F136 W139 E177 Q178 D182 K185 F186 F189 R221	F136-L180 HydrophobicContact CD1-CD1 3.38Å; F136-L180 HydrophobicContact CE1-CD1 2.93Å; F136-L180 HydrophobicContact CE1-CG 4.43Å; F136-L180 HydrophobicContact CE2-CD1 4.21Å; F136-L180 HydrophobicContact CG-CD1 4.19Å; F136-L180 HydrophobicContact CZ-CD1 3.41Å; F136-L180 VanDerWaalsContact CZ-CD1 3.41Å; W139-L180 HydrophobicContact CE3-CD2 4.45Å; W139-L180 HydrophobicContact CH2-CD2 3.91Å; W139-L180 HydrophobicContact CZ3-CD2 3.82Å; W139-L180 HydrophobicContact CZ3-CG 4.38Å; E177-L180 PolarHBondContact O-N 2.98Å; Q178-L180 PolarHBondContact O-N 3.36Å; L180-D182 VanDerWaalsContact C-N 3.3Å; L180-K185 HydrophobicContact CD2-CB 4.49Å; L180-F186 HydrophobicContact CB-CD2 4.42Å; L180-F189 HydrophobicContact CD1-CD1 4.17Å; L180-F189 HydrophobicContact CD1-CE1 4.42Å; L180-F189 HydrophobicContact CD1-CG 4.26Å; L180-F189 HydrophobicContact CD2-CB 3.6Å; L180-F189 HydrophobicContact CD2-CD1 4.24Å; L180-F189 HydrophobicContact CD2-CG 3.91Å; L180-R221 PolarHBondContact O-NH2 2.86Å
181	K	91.4	Very high	94.1	Very high	162 Å²	162	65 Å²	65	70%	0.704	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-24.9	161.9	-63.2	-177.1	179.7	-178.9	0	111.4	Q178 E179	Q178-K181 WeakPolarHBondContact O-CB 3.31Å; Q178-K181 PolarHBondContact O-N 3.07Å; Q178-K181 VanDerWaalsContact O-N 3.15Å; E179-K181 PolarHBondContact O-N 2.95Å
182	D	95.5	Very high	94.4	Very high	90 Å²	90	63.2 Å²	63.2	48%	0.481	31%	0.312	S	S	.	.	S	Bend	trans	-72.8	128	171.3	178.5	-95.8	0	0	0	110.3	E179 L180 G184 K185 F186	E179-D182 WeakPolarHBondContact O-CB 3.4Å; E179-D182 PolarHBondContact O-N 2.91Å; E179-D182 VanDerWaalsContact O-N 3.1Å; L180-D182 VanDerWaalsContact C-N 3.3Å; D182-G184 VanDerWaalsContact C-N 3.31Å; D182-G184 PolarHBondContact O-N 3.37Å; D182-G184 VanDerWaalsContact OD1-CA 3.31Å; D182-G184 WeakPolarHBondContact OD1-CA 3.46Å; D182-G184 PolarHBondContact OD1-N 2.84Å; D182-K185 HydrophobicContact CB-CB 4.06Å; D182-K185 HydrophobicContact CB-CG 3.96Å; D182-K185 PolarHBondContact O-N 2.93Å; D182-K185 WeakPolarHBondContact OD1-CG 3.44Å; D182-K185 PolarHBondContact OD1-N 3.29Å; D182-F186 WeakPolarHBondContact O-CB 3.31Å; D182-F186 PolarHBondContact O-N 3.14Å
183	H	94.1	Very high	94.8	Very high	150 Å²	150	61.1 Å²	61.1	69%	0.694	30%	0.302	S	S	*	.	H	α-helix	trans	-63.4	-36.6	-177.7	-78	-85.4	0	0	0	112.6	K187	H183-K187 WeakPolarHBondContact O-CB 3.44Å; H183-K187 PolarHBondContact O-N 3.37Å
184	G	96.6	Very high	95	Very high	47 Å²	47	60.5 Å²	60.5	49%	0.485	30%	0.299	S	S	.	.	H	α-helix	trans	-67.7	-45	178.6	0	0	0	0	0	111.7	D182 K187 D188	D182-G184 VanDerWaalsContact C-N 3.31Å; D182-G184 PolarHBondContact O-N 3.37Å; D182-G184 VanDerWaalsContact OD1-CA 3.31Å; D182-G184 WeakPolarHBondContact OD1-CA 3.46Å; D182-G184 PolarHBondContact OD1-N 2.84Å; G184-K187 PolarHBondContact O-N 3.17Å; G184-D188 PolarHBondContact O-N 2.73Å
185	K	97.2	Very high	95.2	Very high	98 Å²	98	59.9 Å²	59.9	43%	0.426	29%	0.292	S	S	.	.	H	α-helix	trans	-63.1	-41.6	174.4	-66.6	-62.5	-174.7	177.6	0	112.3	W139 E179 L180 D182 D188 F189	W139-K185 HydrophobicContact CH2-CB 4.39Å; W139-K185 HydrophobicContact CH2-CD 4.37Å; W139-K185 HydrophobicContact CZ2-CD 4.48Å; E179-K185 WeakPolarHBondContact O-CB 3.24Å; L180-K185 HydrophobicContact CD2-CB 4.49Å; D182-K185 HydrophobicContact CB-CB 4.06Å; D182-K185 HydrophobicContact CB-CG 3.96Å; D182-K185 PolarHBondContact O-N 2.93Å; D182-K185 WeakPolarHBondContact OD1-CG 3.44Å; D182-K185 PolarHBondContact OD1-N 3.29Å; K185-D188 PolarHBondContact O-N 2.87Å; K185-F189 WeakPolarHBondContact O-CB 3.4Å; K185-F189 PolarHBondContact O-N 2.8Å
186	F	97.3	Very high	95.5	Very high	10 Å²	10	55.3 Å²	55.3	4%	0.044	27%	0.273	C	S	.	.	H	α-helix	trans	-64.3	-41	175.4	-175.2	-99.5	0	0	0	112.1	L180 D182 F189 Y190 V217 L218 L249	L180-F186 HydrophobicContact CB-CD2 4.42Å; D182-F186 WeakPolarHBondContact O-CB 3.31Å; D182-F186 PolarHBondContact O-N 3.14Å; F186-F189 HydrophobicContact CD2-CD1 4.22Å; F186-F189 HydrophobicContact CE2-CD1 4.14Å; F186-F189 PolarHBondContact O-N 3.22Å; F186-Y190 VanDerWaalsContact O-CB 3.24Å; F186-Y190 WeakPolarHBondContact O-CB 3.17Å; F186-Y190 PolarHBondContact O-N 3.09Å; F186-V217 WeakPolarHBondContact CZ-O 3.5Å; F186-L218 HydrophobicContact CE1-CD2 4.42Å; F186-L218 HydrophobicContact CZ-CD2 4.31Å; F186-L249 HydrophobicContact CD1-CD1 4.2Å; F186-L249 HydrophobicContact CD1-CD2 4.4Å; F186-L249 HydrophobicContact CE1-CD1 3.71Å; F186-L249 HydrophobicContact CE1-CD2 4.46Å
187	K	97.8	Very high	95.8	Very high	71 Å²	71	55.3 Å²	55.3	31%	0.309	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-44.5	175	-176.8	162.1	-174.7	154.9	0	111.5	H183 G184 Y190 Q191 L249 D250	H183-K187 WeakPolarHBondContact O-CB 3.44Å; H183-K187 PolarHBondContact O-N 3.37Å; G184-K187 PolarHBondContact O-N 3.17Å; K187-Y190 PolarHBondContact O-N 2.98Å; K187-Q191 WeakPolarHBondContact O-CB 3.29Å; K187-Q191 VanDerWaalsContact O-CG 3.26Å; K187-Q191 WeakPolarHBondContact O-CG 3.32Å; K187-Q191 PolarHBondContact O-N 2.66Å; K187-L249 HydrophobicContact CB-CD2 4.02Å; K187-L249 HydrophobicContact CG-CD2 4.01Å; K187-D250 IonicContact NZ-OD1 3.05Å; K187-D250 PolarHBondContact NZ-OD1 2.92Å; K187-D250 IonicContact NZ-OD2 3.94Å; K187-D250 PolarHBondContact NZ-OD2 2.94Å
188	D	98.3	Very high	96.1	Very high	85 Å²	85	53.2 Å²	53.2	46%	0.455	26%	0.262	S	S	.	.	H	α-helix	trans	-59.8	-49.2	175.1	-178	72.3	0	0	0	112.1	W139 G184 K185 Y190 Q191 F192	W139-D188 PolarHBondContact NE1-OD2 3.39Å; G184-D188 PolarHBondContact O-N 2.73Å; K185-D188 PolarHBondContact O-N 2.87Å; D188-Y190 PolarHBondContact O-N 2.61Å; D188-Q191 PolarHBondContact O-N 3.19Å; D188-F192 WeakPolarHBondContact O-CB 3.48Å; D188-F192 PolarHBondContact O-N 2.74Å
189	F	98.4	Very high	96.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.7	-45.1	175.3	169.3	-106.6	0	0	0	113.1	I132 L135 F136 W139 L180 K185 F186 Q191 F192 T193 V217	I132-F189 HydrophobicContact CG1-CZ 4.45Å; L135-F189 HydrophobicContact CB-CZ 4.42Å; L135-F189 HydrophobicContact CD2-CE2 4.2Å; L135-F189 HydrophobicContact CD2-CZ 3.69Å; L135-F189 HydrophobicContact CG-CE2 3.77Å; L135-F189 HydrophobicContact CG-CZ 3.74Å; F136-F189 HydrophobicContact CD1-CD2 4.14Å; F136-F189 HydrophobicContact CD1-CE1 4.22Å; F136-F189 AromaticContact CD1-CE2 3.47Å; F136-F189 HydrophobicContact CD1-CE2 3.47Å; F136-F189 VanDerWaalsContact CD1-CE2 3.47Å; F136-F189 AromaticContact CD1-CZ 3.51Å; F136-F189 HydrophobicContact CD1-CZ 3.51Å; F136-F189 HydrophobicContact CE1-CD1 4.43Å; F136-F189 AromaticContact CE1-CE1 3.74Å; F136-F189 HydrophobicContact CE1-CE1 3.74Å; F136-F189 AromaticContact CE1-CE2 3.88Å; F136-F189 HydrophobicContact CE1-CE2 3.88Å; F136-F189 AromaticContact CE1-CZ 3.42Å; F136-F189 HydrophobicContact CE1-CZ 3.42Å; F136-F189 VanDerWaalsContact CE1-CZ 3.42Å; W139-F189 HydrophobicContact CB-CD2 3.69Å; W139-F189 HydrophobicContact CB-CE2 4.06Å; W139-F189 HydrophobicContact CD2-CB 4.07Å; W139-F189 AromaticContact CD2-CD2 3.79Å; W139-F189 HydrophobicContact CD2-CD2 3.79Å; W139-F189 HydrophobicContact CD2-CG 4.41Å; W139-F189 HydrophobicContact CE3-CB 4.48Å; W139-F189 HydrophobicContact CE3-CD2 4.05Å; W139-F189 HydrophobicContact CG-CB 4.4Å; W139-F189 AromaticContact CG-CD2 3.64Å; W139-F189 HydrophobicContact CG-CD2 3.64Å; W139-F189 HydrophobicContact CG-CE2 4.48Å; W139-F189 HydrophobicContact CZ2-CB 4.29Å; L180-F189 HydrophobicContact CD1-CD1 4.17Å; L180-F189 HydrophobicContact CD1-CE1 4.42Å; L180-F189 HydrophobicContact CD1-CG 4.26Å; L180-F189 HydrophobicContact CD2-CB 3.6Å; L180-F189 HydrophobicContact CD2-CD1 4.24Å; L180-F189 HydrophobicContact CD2-CG 3.91Å; K185-F189 WeakPolarHBondContact O-CB 3.4Å; K185-F189 PolarHBondContact O-N 2.8Å; F186-F189 HydrophobicContact CD2-CD1 4.22Å; F186-F189 HydrophobicContact CE2-CD1 4.14Å; F186-F189 PolarHBondContact O-N 3.22Å; F189-Q191 PolarHBondContact O-N 2.71Å; F189-F192 WeakPolarHBondContact O-CB 3.25Å; F189-F192 PolarHBondContact O-N 2.82Å; F189-T193 PolarHBondContact O-N 3.22Å; F189-T193 VanDerWaalsContact O-N 3.08Å; F189-T193 PolarHBondContact O-OG1 3.11Å; F189-V217 HydrophobicContact CE1-CB 4.13Å; F189-V217 HydrophobicContact CE1-CG1 3.74Å; F189-V217 HydrophobicContact CZ-CG1 4.01Å
190	Y	98.4	Very high	96.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-43	178.5	176.6	-96.7	0	0	0	111.7	F186 K187 D188 T193 W214 V217 L218 W245 L249	F186-Y190 VanDerWaalsContact O-CB 3.24Å; F186-Y190 WeakPolarHBondContact O-CB 3.17Å; F186-Y190 PolarHBondContact O-N 3.09Å; K187-Y190 PolarHBondContact O-N 2.98Å; D188-Y190 PolarHBondContact O-N 2.61Å; Y190-T193 WeakPolarHBondContact O-CB 3.38Å; Y190-T193 PolarHBondContact O-N 3.37Å; Y190-W214 AromaticContact CE2-CD1 3.95Å; Y190-W214 AromaticContact CE2-NE1 4Å; Y190-W214 AromaticContact CZ-NE1 3.83Å; Y190-W214 PolarHBondContact OH-NE1 3.39Å; Y190-V217 HydrophobicContact CD2-CG2 3.68Å; Y190-V217 HydrophobicContact CE2-CG2 3.91Å; Y190-L218 HydrophobicContact CD2-CD2 4Å; Y190-L218 HydrophobicContact CE2-CD1 4.03Å; Y190-L218 HydrophobicContact CE2-CD2 3.76Å; Y190-L218 HydrophobicContact CE2-CG 3.96Å; Y190-W245 AromaticContact CD1-NE1 3.63Å; Y190-W245 HydrophobicContact CD2-CZ2 4.28Å; Y190-W245 AromaticContact CE1-CD1 3.44Å; Y190-W245 VanDerWaalsContact CE1-CD1 3.44Å; Y190-W245 HydrophobicContact CE1-CG 4.25Å; Y190-W245 AromaticContact CE1-NE1 3.29Å; Y190-W245 VanDerWaalsContact CE1-NE1 3.29Å; Y190-W245 WeakPolarHBondContact CE1-O 2.95Å; Y190-W245 AromaticContact CE2-CE2 3.87Å; Y190-W245 AromaticContact CE2-CZ2 3.86Å; Y190-W245 HydrophobicContact CE2-CZ2 3.86Å; Y190-W245 AromaticContact CE2-NE1 3.85Å; Y190-W245 AromaticContact CZ-CD1 3.78Å; Y190-W245 AromaticContact CZ-CE2 3.67Å; Y190-W245 AromaticContact CZ-NE1 3.41Å; Y190-W245 VanDerWaalsContact CZ-O 3.28Å; Y190-W245 PolarHBondContact O-NE1 3.35Å; Y190-W245 PolarHBondContact OH-O 3.42Å; Y190-L249 HydrophobicContact CD1-CB 3.77Å; Y190-L249 HydrophobicContact CD1-CD2 3.72Å; Y190-L249 HydrophobicContact CD1-CG 4.3Å; Y190-L249 HydrophobicContact CE1-CB 3.55Å; Y190-L249 HydrophobicContact CE1-CD2 4.39Å; Y190-L249 HydrophobicContact CG-CB 4.39Å; Y190-L249 HydrophobicContact CG-CD2 3.93Å
191	Q	98.3	Very high	96.1	Very high	63 Å²	63	56.5 Å²	56.5	29%	0.294	31%	0.311	S	S	.	.	H	α-helix	trans	-71.7	-33.2	177.6	-68.4	-176.3	-5.9	0	0	112.9	K187 D188 F189 T193 N195 N246	K187-Q191 WeakPolarHBondContact O-CB 3.29Å; K187-Q191 VanDerWaalsContact O-CG 3.26Å; K187-Q191 WeakPolarHBondContact O-CG 3.32Å; K187-Q191 PolarHBondContact O-N 2.66Å; D188-Q191 PolarHBondContact O-N 3.19Å; F189-Q191 PolarHBondContact O-N 2.71Å; Q191-T193 VanDerWaalsContact C-N 3.33Å; Q191-N195 PolarHBondContact O-ND2 2.87Å; Q191-N195 VanDerWaalsContact O-ND2 3.08Å; Q191-N246 WeakPolarHBondContact CG-OD1 3.43Å
192	F	98.4	Very high	96.1	Very high	30 Å²	30	53 Å²	53	13%	0.132	30%	0.297	C	S	.	.	H	α-helix	trans	-57.6	-47.9	171.7	163.5	-94.1	0	0	0	111	L135 A138 W139 A143 D188 F189 F194 N195 F196	L135-F192 HydrophobicContact CD1-CE1 4.32Å; A138-F192 HydrophobicContact CB-CE1 4.37Å; A138-F192 HydrophobicContact CB-CZ 4.34Å; A138-F192 WeakPolarHBondContact O-CZ 3.45Å; W139-F192 HydrophobicContact CB-CD1 3.64Å; W139-F192 HydrophobicContact CB-CE1 3.71Å; W139-F192 HydrophobicContact CB-CG 4.24Å; W139-F192 HydrophobicContact CB-CZ 4.34Å; W139-F192 AromaticContact CD1-CD1 3.86Å; W139-F192 AromaticContact CD1-CG 3.6Å; W139-F192 HydrophobicContact CG-CD1 4.12Å; W139-F192 HydrophobicContact CG-CG 4.3Å; A143-F192 HydrophobicContact CB-CZ 4.48Å; A143-F192 WeakPolarHBondContact O-CE2 3.24Å; A143-F192 WeakPolarHBondContact O-CZ 3.41Å; D188-F192 WeakPolarHBondContact O-CB 3.48Å; D188-F192 PolarHBondContact O-N 2.74Å; F189-F192 WeakPolarHBondContact O-CB 3.25Å; F189-F192 PolarHBondContact O-N 2.82Å; F192-F194 PolarHBondContact O-N 3.01Å; F192-F194 VanDerWaalsContact O-N 3.12Å; F192-N195 PolarHBondContact O-N 2.81Å; F192-F196 HydrophobicContact CD1-CB 4.4Å; F192-F196 HydrophobicContact CE1-CB 3.81Å; F192-F196 HydrophobicContact CE1-CD2 4.36Å; F192-F196 AromaticContact CE1-CG 3.99Å; F192-F196 HydrophobicContact CE1-CG 3.99Å; F192-F196 HydrophobicContact CE2-CB 4.38Å; F192-F196 HydrophobicContact CZ-CB 3.79Å; F192-F196 AromaticContact CZ-CD2 3.91Å; F192-F196 HydrophobicContact CZ-CD2 3.91Å; F192-F196 AromaticContact CZ-CG 3.95Å; F192-F196 HydrophobicContact CZ-CG 3.95Å; F192-F196 PolarHBondContact O-N 3Å; F192-F196 VanDerWaalsContact O-N 3.09Å
193	T	98.6	Very high	96	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-52.6	-39	-175.5	-59.1	0	0	0	0	112.3	L135 F189 Y190 Q191 N195 F196 A197 Y213 V217 W245	L135-T193 HydrophobicContact CD1-CG2 4.5Å; L135-T193 HydrophobicContact CD2-CG2 3.91Å; F189-T193 PolarHBondContact O-N 3.22Å; F189-T193 VanDerWaalsContact O-N 3.08Å; F189-T193 PolarHBondContact O-OG1 3.11Å; Y190-T193 WeakPolarHBondContact O-CB 3.38Å; Y190-T193 PolarHBondContact O-N 3.37Å; Q191-T193 VanDerWaalsContact C-N 3.33Å; T193-N195 PolarHBondContact O-N 3.16Å; T193-F196 PolarHBondContact O-N 3.1Å; T193-A197 WeakPolarHBondContact O-CB 3.49Å; T193-A197 PolarHBondContact O-N 3.21Å; T193-Y213 HydrophobicContact CG2-CD1 3.34Å; T193-Y213 HydrophobicContact CG2-CE1 4.03Å; T193-Y213 HydrophobicContact CG2-CG 3.78Å; T193-V217 HydrophobicContact CG2-CG1 4.23Å; T193-W245 HydrophobicContact CG2-CH2 4.33Å; T193-W245 HydrophobicContact CG2-CZ2 3.98Å
194	F	98.3	Very high	96.1	Very high	1 Å²	1	51.7 Å²	51.7	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-59	-46.9	176.1	-179.7	-90.3	0	0	0	113.3	F192 K198 L205 I240 K242 W245	F192-F194 PolarHBondContact O-N 3.01Å; F192-F194 VanDerWaalsContact O-N 3.12Å; F194-K198 HydrophobicContact CE1-CD 3.93Å; F194-K198 PolarHBondContact O-N 3.49Å; F194-K198 VanDerWaalsContact O-N 3.09Å; F194-L205 HydrophobicContact CD2-CB 4.07Å; F194-L205 HydrophobicContact CD2-CD2 4.23Å; F194-L205 HydrophobicContact CE2-CB 3.6Å; F194-L205 HydrophobicContact CZ-CB 4.23Å; F194-I240 WeakPolarHBondContact CE2-O 3.47Å; F194-K242 HydrophobicContact CD1-CB 3.97Å; F194-K242 HydrophobicContact CD1-CD 4.04Å; F194-K242 HydrophobicContact CD1-CG 3.78Å; F194-K242 HydrophobicContact CE1-CB 3.47Å; F194-K242 VanDerWaalsContact CE1-CB 3.47Å; F194-K242 HydrophobicContact CE1-CD 4.1Å; F194-K242 HydrophobicContact CE1-CG 3.82Å; F194-K242 HydrophobicContact CE2-CB 4.38Å; F194-K242 HydrophobicContact CG-CG 4.38Å; F194-K242 VanDerWaalsContact CZ-CA 3.44Å; F194-K242 HydrophobicContact CZ-CB 3.71Å; F194-K242 HydrophobicContact CZ-CG 4.42Å; F194-K242 VanDerWaalsContact CZ-N 3.34Å; F194-W245 HydrophobicContact CB-CD2 4.08Å; F194-W245 HydrophobicContact CB-CG 3.9Å; F194-W245 HydrophobicContact CD2-CB 3.56Å; F194-W245 AromaticContact CD2-CD2 3.82Å; F194-W245 HydrophobicContact CD2-CD2 3.82Å; F194-W245 HydrophobicContact CD2-CE3 4.12Å; F194-W245 AromaticContact CD2-CG 3.56Å; F194-W245 HydrophobicContact CD2-CG 3.56Å; F194-W245 HydrophobicContact CE2-CB 4.06Å; F194-W245 HydrophobicContact CG-CB 4.32Å; F194-W245 HydrophobicContact CG-CD2 4.44Å; F194-W245 HydrophobicContact CG-CG 4.08Å
195	N	96.7	Very high	96.1	Very high	56 Å²	56	49.5 Å²	49.5	30%	0.299	27%	0.265	S	S	.	.	H	α-helix	trans	-73.3	-36	-176.3	-50.9	-69.1	0	0	0	110.9	Q191 F192 T193 K242	Q191-N195 PolarHBondContact O-ND2 2.87Å; Q191-N195 VanDerWaalsContact O-ND2 3.08Å; F192-N195 PolarHBondContact O-N 2.81Å; T193-N195 PolarHBondContact O-N 3.16Å; N195-K242 PolarHBondContact ND2-NZ 2.97Å; N195-K242 PolarHBondContact OD1-NZ 2.61Å
196	F	97.6	Very high	96	Very high	17 Å²	17	48.5 Å²	48.5	8%	0.075	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-44.3	174.8	178	-107.2	0	0	0	112.1	L135 A138 A143 T145 Q146 F192 T193 Y213	L135-F196 HydrophobicContact CD1-CD1 3.64Å; L135-F196 HydrophobicContact CD1-CE1 3.75Å; A138-F196 HydrophobicContact CB-CD2 4.4Å; A138-F196 HydrophobicContact CB-CE1 4.3Å; A138-F196 HydrophobicContact CB-CE2 3.82Å; A138-F196 HydrophobicContact CB-CZ 3.75Å; A143-F196 HydrophobicContact CB-CD2 3.96Å; A143-F196 HydrophobicContact CB-CE2 3.74Å; T145-F196 VanDerWaalsContact C-CE2 3.43Å; T145-F196 WeakPolarHBondContact CA-O 3.24Å; T145-F196 VanDerWaalsContact O-CE2 3.24Å; T145-F196 WeakPolarHBondContact O-CE2 3.47Å; Q146-F196 VanDerWaalsContact CA-CZ 3.49Å; Q146-F196 HydrophobicContact CB-CD1 4.21Å; Q146-F196 HydrophobicContact CB-CE1 3.71Å; Q146-F196 HydrophobicContact CB-CE2 4.17Å; Q146-F196 HydrophobicContact CB-CZ 3.7Å; Q146-F196 PolarHBondContact N-O 3.17Å; F192-F196 HydrophobicContact CD1-CB 4.4Å; F192-F196 HydrophobicContact CE1-CB 3.81Å; F192-F196 HydrophobicContact CE1-CD2 4.36Å; F192-F196 AromaticContact CE1-CG 3.99Å; F192-F196 HydrophobicContact CE1-CG 3.99Å; F192-F196 HydrophobicContact CE2-CB 4.38Å; F192-F196 HydrophobicContact CZ-CB 3.79Å; F192-F196 AromaticContact CZ-CD2 3.91Å; F192-F196 HydrophobicContact CZ-CD2 3.91Å; F192-F196 AromaticContact CZ-CG 3.95Å; F192-F196 HydrophobicContact CZ-CG 3.95Å; F192-F196 PolarHBondContact O-N 3Å; F192-F196 VanDerWaalsContact O-N 3.09Å; T193-F196 PolarHBondContact O-N 3.1Å; F196-Y213 HydrophobicContact CD1-CE1 4.35Å; F196-Y213 HydrophobicContact CE1-CE1 4.49Å; F196-Y213 WeakPolarHBondContact CE1-OH 3.47Å
197	A	97	Very high	96	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-75.8	-30.8	-176.8	0	0	0	0	0	113.8	Q146 T193 L205 M209 Y213	Q146-A197 PolarHBondContact NE2-O 3.28Å; T193-A197 WeakPolarHBondContact O-CB 3.49Å; T193-A197 PolarHBondContact O-N 3.21Å; A197-L205 VanDerWaalsContact C-CD1 3.49Å; A197-L205 HydrophobicContact CB-CD1 3.69Å; A197-L205 HydrophobicContact CB-CD2 4.03Å; A197-L205 WeakPolarHBondContact O-CD1 3.37Å; A197-M209 HydrophobicContact CB-CG 4.25Å; A197-Y213 HydrophobicContact CB-CD2 3.39Å; A197-Y213 HydrophobicContact CB-CE2 3.24Å; A197-Y213 HydrophobicContact CB-CG 4.13Å
198	K	95.3	Very high	95.9	Very high	44 Å²	44	53 Å²	53	19%	0.191	29%	0.287	C	S	.	.	S	Bend	trans	-73.6	145.3	-175.6	88.2	177.8	179.2	63.2	0	111	F194 Q202 L205	F194-K198 HydrophobicContact CE1-CD 3.93Å; F194-K198 PolarHBondContact O-N 3.49Å; F194-K198 VanDerWaalsContact O-N 3.09Å; K198-Q202 WeakPolarHBondContact CD-O 3.24Å; K198-Q202 WeakPolarHBondContact CE-O 3.38Å; K198-Q202 PolarHBondContact NZ-O 2.99Å; K198-L205 HydrophobicContact CB-CB 4.46Å; K198-L205 HydrophobicContact CB-CD1 4.02Å
199	N	91.2	Very high	95.8	Very high	81 Å²	81	52 Å²	52	43%	0.433	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-62.3	137.5	172.5	-68.5	-43	0	0	0	111	G201 Q202	N199-G201 PolarHBondContact O-N 3.27Å; N199-Q202 HydrophobicContact CB-CB 4.49Å; N199-Q202 HydrophobicContact CB-CG 4.04Å; N199-Q202 PolarHBondContact O-N 3.49Å; N199-Q202 VanDerWaalsContact O-N 3.11Å
200	P	90.5	Very high	95.8	Very high	96 Å²	96	52 Å²	52	62%	0.623	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	138.3	170.9	-27.6	35.8	0	0	0	111.5	T145 Q202	T145-P200 HydrophobicContact CG2-CG 4.5Å; P200-Q202 VanDerWaalsContact C-N 3.26Å; P200-Q202 PolarHBondContact O-N 2.87Å
201	G	90.3	Very high	95.7	Very high	84 Å²	84	53.2 Å²	53.2	87%	0.866	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	-16.8	-176.9	0	0	0	0	0	116	N199	N199-G201 PolarHBondContact O-N 3.27Å
202	Q	92.6	Very high	95.7	Very high	90 Å²	90	53 Å²	53	42%	0.421	30%	0.295	S	S	.	.			trans	-85.2	148	173.6	-62.3	-168.5	4.5	0	0	112	K198 N199 P200	K198-Q202 WeakPolarHBondContact CD-O 3.24Å; K198-Q202 WeakPolarHBondContact CE-O 3.38Å; K198-Q202 PolarHBondContact NZ-O 2.99Å; N199-Q202 HydrophobicContact CB-CB 4.49Å; N199-Q202 HydrophobicContact CB-CG 4.04Å; N199-Q202 PolarHBondContact O-N 3.49Å; N199-Q202 VanDerWaalsContact O-N 3.11Å; P200-Q202 VanDerWaalsContact C-N 3.26Å; P200-Q202 PolarHBondContact O-N 2.87Å
203	K	93.1	Very high	95.7	Very high	201 Å²	201	52.8 Å²	52.8	87%	0.874	29%	0.294	S	S	*	.	S	Bend	trans	-88.3	-28.7	177	-69.1	-174.1	177.8	-178.7	0	113.4
204	G	95.2	Very high	95.7	Very high	10 Å²	10	52.8 Å²	52.8	10%	0.103	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	165.1	178.4	0	0	0	0	0	111.6	I240	G204-I240 CarbonylContact C-O 3.54Å; G204-I240 VanDerWaalsContact CA-O 3.26Å; G204-I240 WeakPolarHBondContact CA-O 3.49Å
205	L	97.4	Very high	95.7	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	136.2	171.1	-177.4	58.2	0	0	0	109.1	F194 A197 K198 M209 A210 S239 I240 W245	F194-L205 HydrophobicContact CD2-CB 4.07Å; F194-L205 HydrophobicContact CD2-CD2 4.23Å; F194-L205 HydrophobicContact CE2-CB 3.6Å; F194-L205 HydrophobicContact CZ-CB 4.23Å; A197-L205 VanDerWaalsContact C-CD1 3.49Å; A197-L205 HydrophobicContact CB-CD1 3.69Å; A197-L205 HydrophobicContact CB-CD2 4.03Å; A197-L205 WeakPolarHBondContact O-CD1 3.37Å; K198-L205 HydrophobicContact CB-CB 4.46Å; K198-L205 HydrophobicContact CB-CD1 4.02Å; L205-M209 HydrophobicContact CD1-CB 3.88Å; L205-M209 HydrophobicContact CD1-CG 3.69Å; L205-M209 HydrophobicContact CG-CB 4.29Å; L205-M209 HydrophobicContact CG-CG 4.47Å; L205-A210 HydrophobicContact CD2-CB 3.75Å; L205-A210 HydrophobicContact CG-CB 3.96Å; L205-S239 CarbonylContact O-C 3.45Å; L205-S239 WeakPolarHBondContact O-CA 3.29Å; L205-S239 VanDerWaalsContact O-CB 3.24Å; L205-S239 WeakPolarHBondContact O-CB 3.47Å; L205-I240 PolarHBondContact N-O 3.43Å; L205-I240 PolarHBondContact O-N 3.39Å; L205-W245 HydrophobicContact CD2-CE3 4.08Å; L205-W245 HydrophobicContact CD2-CZ3 3.87Å
206	D	95.9	Very high	95.7	Very high	76 Å²	76	55.4 Å²	55.4	41%	0.406	31%	0.307	S	S	.	.			trans	-58.1	146.7	174.1	-177.8	-95.4	0	0	0	111.3	E208 M209 A210	D206-E208 PolarHBondContact O-N 3.39Å; D206-E208 WeakPolarHBondContact OD1-CB 3.47Å; D206-E208 PolarHBondContact OD1-N 3.42Å; D206-M209 HydrophobicContact CB-CB 4.27Å; D206-M209 PolarHBondContact O-N 3.12Å; D206-A210 WeakPolarHBondContact O-CB 3.35Å; D206-A210 PolarHBondContact O-N 3.36Å
207	L	96	Very high	95.7	Very high	17 Å²	17	54.7 Å²	54.7	9%	0.089	30%	0.304	C	S	.	.	H	α-helix	trans	-61.9	-44.4	-174.1	-174.4	59.8	0	0	0	112.6	M209 A210 I211 L232 K237 R238 I240	L207-M209 VanDerWaalsContact C-N 3.29Å; L207-M209 PolarHBondContact O-N 3.09Å; L207-A210 PolarHBondContact O-N 2.87Å; L207-I211 HydrophobicContact CD1-CD1 4.15Å; L207-I211 HydrophobicContact CD1-CG1 4.34Å; L207-I211 HydrophobicContact CG-CD1 3.92Å; L207-I211 HydrophobicContact CG-CG1 4.5Å; L207-I211 WeakPolarHBondContact O-CG1 3.43Å; L207-I211 PolarHBondContact O-N 2.75Å; L207-L232 HydrophobicContact CD1-CB 4.14Å; L207-L232 HydrophobicContact CD1-CD1 4.08Å; L207-L232 HydrophobicContact CD1-CD2 4.2Å; L207-L232 HydrophobicContact CD1-CG 4.39Å; L207-K237 VanDerWaalsContact CD2-CA 3.46Å; L207-R238 WeakPolarHBondContact CB-O 3.42Å; L207-I240 HydrophobicContact CD1-CD1 3.89Å; L207-I240 HydrophobicContact CD1-CG1 4.12Å
208	E	96.1	Very high	95.7	Very high	159 Å²	159	54.6 Å²	54.6	74%	0.743	30%	0.304	S	S	*	.	H	α-helix	trans	-64	-41.9	-178.4	-64.4	-174.4	173	0	0	110	D206 I211 A212	D206-E208 PolarHBondContact O-N 3.39Å; D206-E208 WeakPolarHBondContact OD1-CB 3.47Å; D206-E208 PolarHBondContact OD1-N 3.42Å; E208-I211 PolarHBondContact O-N 3.08Å; E208-A212 WeakPolarHBondContact O-CB 3.41Å; E208-A212 PolarHBondContact O-N 2.94Å
209	M	96.2	Very high	95.7	Very high	64 Å²	64	55.4 Å²	55.4	32%	0.315	32%	0.319	S	S	.	.	H	α-helix	trans	-65.9	-41.6	176.5	-163.9	61.2	67.3	0	0	111.9	A197 L205 D206 L207 A212 Y213	A197-M209 HydrophobicContact CB-CG 4.25Å; L205-M209 HydrophobicContact CD1-CB 3.88Å; L205-M209 HydrophobicContact CD1-CG 3.69Å; L205-M209 HydrophobicContact CG-CB 4.29Å; L205-M209 HydrophobicContact CG-CG 4.47Å; D206-M209 HydrophobicContact CB-CB 4.27Å; D206-M209 PolarHBondContact O-N 3.12Å; L207-M209 VanDerWaalsContact C-N 3.29Å; L207-M209 PolarHBondContact O-N 3.09Å; M209-A212 PolarHBondContact O-N 3.39Å; M209-Y213 HydrophobicContact CG-CD2 3.88Å; M209-Y213 HydrophobicContact CG-CE2 3.87Å; M209-Y213 WeakPolarHBondContact O-CD2 3.34Å; M209-Y213 PolarHBondContact O-N 2.81Å; M209-Y213 HydrophobicContact SD-CD2 3.88Å; M209-Y213 HydrophobicContact SD-CE2 3.49Å; M209-Y213 WeakPolarHBondContact SD-CE2 3.19Å
210	A	98	Very high	95.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-61.7	-46	176.7	0	0	0	0	0	111.6	L205 D206 L207 A212 Y213 W214 I240 W245	L205-A210 HydrophobicContact CD2-CB 3.75Å; L205-A210 HydrophobicContact CG-CB 3.96Å; D206-A210 WeakPolarHBondContact O-CB 3.35Å; D206-A210 PolarHBondContact O-N 3.36Å; L207-A210 PolarHBondContact O-N 2.87Å; A210-A212 PolarHBondContact O-N 2.75Å; A210-Y213 PolarHBondContact O-N 2.73Å; A210-W214 VanDerWaalsContact C-CE3 3.45Å; A210-W214 HydrophobicContact CB-CE3 3.91Å; A210-W214 HydrophobicContact CB-CH2 4.14Å; A210-W214 HydrophobicContact CB-CZ3 3.63Å; A210-W214 WeakPolarHBondContact O-CB 3.29Å; A210-W214 VanDerWaalsContact O-CE3 3.24Å; A210-W214 PolarHBondContact O-N 3.11Å; A210-I240 HydrophobicContact CB-CB 4.18Å; A210-I240 HydrophobicContact CB-CG1 3.63Å; A210-W245 HydrophobicContact CB-CZ3 4.21Å
211	I	98.1	Very high	96	Very high	26 Å²	26	56.8 Å²	56.8	13%	0.133	33%	0.334	C	S	.	.	H	α-helix	trans	-59.8	-45.9	175.7	-70.1	169.6	0	0	0	110.8	L207 E208 Y213 W214 N215 L232 V233	L207-I211 HydrophobicContact CD1-CD1 4.15Å; L207-I211 HydrophobicContact CD1-CG1 4.34Å; L207-I211 HydrophobicContact CG-CD1 3.92Å; L207-I211 HydrophobicContact CG-CG1 4.5Å; L207-I211 WeakPolarHBondContact O-CG1 3.43Å; L207-I211 PolarHBondContact O-N 2.75Å; E208-I211 PolarHBondContact O-N 3.08Å; I211-Y213 PolarHBondContact O-N 2.74Å; I211-W214 PolarHBondContact O-N 3.06Å; I211-N215 WeakPolarHBondContact O-CB 3.39Å; I211-N215 PolarHBondContact O-N 3.19Å; I211-N215 PolarHBondContact O-ND2 3.24Å; I211-L232 HydrophobicContact CD1-CB 4.12Å; I211-L232 HydrophobicContact CD1-CD1 4.32Å; I211-L232 HydrophobicContact CG1-CD1 3.86Å; I211-V233 HydrophobicContact CD1-CG2 3.88Å
212	A	97.6	Very high	96.3	Very high	57 Å²	57	53 Å²	53	47%	0.471	29%	0.294	S	S	.	.	H	α-helix	trans	-59.1	-49.2	178.8	0	0	0	0	0	112.1	E208 M209 A210 N215 L216	E208-A212 WeakPolarHBondContact O-CB 3.41Å; E208-A212 PolarHBondContact O-N 2.94Å; M209-A212 PolarHBondContact O-N 3.39Å; A210-A212 PolarHBondContact O-N 2.75Å; A212-N215 PolarHBondContact O-N 2.8Å; A212-L216 PolarHBondContact O-N 3.1Å; A212-L216 VanDerWaalsContact O-N 3.09Å
213	Y	98.4	Very high	96.5	Very high	27 Å²	27	53.6 Å²	53.6	11%	0.106	30%	0.295	C	S	.	.	H	α-helix	trans	-69.9	-35.9	179	-82.8	-77.2	0	0	0	113	L135 Q146 T193 F196 A197 M209 A210 I211 N215 L216 V217	L135-Y213 HydrophobicContact CD1-CE1 3.95Å; L135-Y213 HydrophobicContact CD2-CD1 3.84Å; L135-Y213 HydrophobicContact CD2-CE1 3.93Å; Q146-Y213 PolarHBondContact OE1-OH 3.17Å; T193-Y213 HydrophobicContact CG2-CD1 3.34Å; T193-Y213 HydrophobicContact CG2-CE1 4.03Å; T193-Y213 HydrophobicContact CG2-CG 3.78Å; F196-Y213 HydrophobicContact CD1-CE1 4.35Å; F196-Y213 HydrophobicContact CE1-CE1 4.49Å; F196-Y213 WeakPolarHBondContact CE1-OH 3.47Å; A197-Y213 HydrophobicContact CB-CD2 3.39Å; A197-Y213 HydrophobicContact CB-CE2 3.24Å; A197-Y213 HydrophobicContact CB-CG 4.13Å; M209-Y213 HydrophobicContact CG-CD2 3.88Å; M209-Y213 HydrophobicContact CG-CE2 3.87Å; M209-Y213 WeakPolarHBondContact O-CD2 3.34Å; M209-Y213 PolarHBondContact O-N 2.81Å; M209-Y213 HydrophobicContact SD-CD2 3.88Å; M209-Y213 HydrophobicContact SD-CE2 3.49Å; M209-Y213 WeakPolarHBondContact SD-CE2 3.19Å; A210-Y213 PolarHBondContact O-N 2.73Å; I211-Y213 PolarHBondContact O-N 2.74Å; Y213-N215 VanDerWaalsContact C-N 3.34Å; Y213-L216 WeakPolarHBondContact O-CB 3.26Å; Y213-L216 PolarHBondContact O-N 3.42Å; Y213-L216 VanDerWaalsContact O-N 3.14Å; Y213-V217 VanDerWaalsContact O-CG2 3.31Å; Y213-V217 WeakPolarHBondContact O-CG2 3.37Å; Y213-V217 PolarHBondContact O-N 2.83Å
214	W	98.5	Very high	96.7	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.8	-43.1	172.7	-80.6	-41.6	0	0	0	112	Y190 A210 I211 L216 V217 L218 L225 W228 L232 I240 W245 L248	Y190-W214 AromaticContact CE2-CD1 3.95Å; Y190-W214 AromaticContact CE2-NE1 4Å; Y190-W214 AromaticContact CZ-NE1 3.83Å; Y190-W214 PolarHBondContact OH-NE1 3.39Å; A210-W214 VanDerWaalsContact C-CE3 3.45Å; A210-W214 HydrophobicContact CB-CE3 3.91Å; A210-W214 HydrophobicContact CB-CH2 4.14Å; A210-W214 HydrophobicContact CB-CZ3 3.63Å; A210-W214 WeakPolarHBondContact O-CB 3.29Å; A210-W214 VanDerWaalsContact O-CE3 3.24Å; A210-W214 PolarHBondContact O-N 3.11Å; I211-W214 PolarHBondContact O-N 3.06Å; W214-L216 PolarHBondContact O-N 3.46Å; W214-V217 PolarHBondContact O-N 2.7Å; W214-L218 HydrophobicContact CB-CD1 4.48Å; W214-L218 HydrophobicContact CG-CD1 4.21Å; W214-L218 WeakPolarHBondContact O-CA 3.2Å; W214-L218 VanDerWaalsContact O-CB 3.31Å; W214-L218 WeakPolarHBondContact O-CB 3.34Å; W214-L218 PolarHBondContact O-N 3.28Å; W214-L225 HydrophobicContact CB-CD1 4.19Å; W214-W228 AromaticContact CD2-NE1 3.83Å; W214-W228 AromaticContact CE3-NE1 3.43Å; W214-W228 AromaticContact CH2-CZ2 3.81Å; W214-W228 HydrophobicContact CH2-CZ2 3.81Å; W214-W228 AromaticContact CH2-NE1 3.84Å; W214-W228 HydrophobicContact CZ2-CZ2 4.31Å; W214-W228 HydrophobicContact CZ3-CZ2 4.16Å; W214-W228 AromaticContact CZ3-NE1 3.47Å; W214-L232 HydrophobicContact CE3-CD1 3.96Å; W214-L232 HydrophobicContact CH2-CD1 4.33Å; W214-L232 HydrophobicContact CZ3-CD1 3.43Å; W214-L232 VanDerWaalsContact CZ3-CD1 3.43Å; W214-I240 HydrophobicContact CH2-CB 4.2Å; W214-I240 HydrophobicContact CH2-CD1 3.88Å; W214-I240 HydrophobicContact CH2-CG1 3.63Å; W214-I240 HydrophobicContact CH2-CG2 3.63Å; W214-I240 HydrophobicContact CZ2-CG2 3.96Å; W214-I240 HydrophobicContact CZ3-CD1 4.22Å; W214-I240 HydrophobicContact CZ3-CG1 3.93Å; W214-W245 AromaticContact CD1-CH2 3.53Å; W214-W245 AromaticContact CD1-CZ3 3.53Å; W214-W245 HydrophobicContact CD2-CE3 4.08Å; W214-W245 HydrophobicContact CD2-CH2 4.36Å; W214-W245 AromaticContact CD2-CZ3 3.66Å; W214-W245 HydrophobicContact CD2-CZ3 3.66Å; W214-W245 AromaticContact CE2-CE3 3.3Å; W214-W245 AromaticContact CE2-CZ3 3.36Å; W214-W245 HydrophobicContact CE3-CZ3 4.42Å; W214-W245 HydrophobicContact CG-CH2 4.02Å; W214-W245 AromaticContact CG-CZ3 3.79Å; W214-W245 HydrophobicContact CG-CZ3 3.79Å; W214-W245 HydrophobicContact CH2-CE3 4.33Å; W214-W245 HydrophobicContact CZ2-CD2 4.25Å; W214-W245 AromaticContact CZ2-CE3 3.48Å; W214-W245 HydrophobicContact CZ2-CE3 3.48Å; W214-W245 VanDerWaalsContact CZ2-CE3 3.48Å; W214-W245 AromaticContact CZ2-CZ3 3.97Å; W214-W245 HydrophobicContact CZ2-CZ3 3.97Å; W214-W245 AromaticContact NE1-CD2 3.66Å; W214-W245 AromaticContact NE1-CE2 3.99Å; W214-W245 AromaticContact NE1-CE3 3.26Å; W214-W245 VanDerWaalsContact NE1-CE3 3.26Å; W214-W245 AromaticContact NE1-CH2 3.6Å; W214-W245 AromaticContact NE1-CZ2 3.99Å; W214-W245 AromaticContact NE1-CZ3 3.23Å; W214-L248 HydrophobicContact CD2-CD2 4.09Å; W214-L248 VanDerWaalsContact CE2-CD2 3.48Å; W214-L248 HydrophobicContact CG-CD2 4.42Å; W214-L248 HydrophobicContact CH2-CD2 4.42Å; W214-L248 HydrophobicContact CZ2-CD2 3.66Å
215	N	98	Very high	96.9	Very high	61 Å²	61	45.1 Å²	45.1	33%	0.326	26%	0.256	S	S	.	.	H	α-helix	trans	-60.3	-32.3	173.8	-76.6	-32.1	0	0	0	112.7	I211 A212 Y213 A219 N229	I211-N215 WeakPolarHBondContact O-CB 3.39Å; I211-N215 PolarHBondContact O-N 3.19Å; I211-N215 PolarHBondContact O-ND2 3.24Å; A212-N215 PolarHBondContact O-N 2.8Å; Y213-N215 VanDerWaalsContact C-N 3.34Å; N215-A219 VanDerWaalsContact O-CB 3.29Å; N215-A219 WeakPolarHBondContact O-CB 3.46Å; N215-N229 PolarHBondContact ND2-ND2 3.41Å; N215-N229 PolarHBondContact OD1-ND2 2.71Å
216	L	96.9	Very high	96.8	Very high	50 Å²	50	51.6 Å²	51.6	26%	0.262	29%	0.29	S	S	.	.	H	α-helix	trans	-74.8	-49.8	176.3	-167.3	63	0	0	0	112.3	A130 I132 L135 A212 Y213 W214	A130-L216 WeakPolarHBondContact O-CD1 3.29Å; I132-L216 HydrophobicContact CB-CD1 3.92Å; I132-L216 HydrophobicContact CB-CG 4.03Å; I132-L216 WeakPolarHBondContact CD1-O 3.47Å; I132-L216 HydrophobicContact CG1-CG 4.14Å; L135-L216 HydrophobicContact CB-CD2 4.41Å; L135-L216 HydrophobicContact CD2-CD2 3.9Å; A212-L216 PolarHBondContact O-N 3.1Å; A212-L216 VanDerWaalsContact O-N 3.09Å; Y213-L216 WeakPolarHBondContact O-CB 3.26Å; Y213-L216 PolarHBondContact O-N 3.42Å; Y213-L216 VanDerWaalsContact O-N 3.14Å; W214-L216 PolarHBondContact O-N 3.46Å
217	V	97.4	Very high	96.9	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.012	28%	0.279	C	S	.	.	H	α-helix	trans	-92.5	-25.1	-168.4	-53.7	0	0	0	0	114.5	L135 F186 F189 Y190 T193 Y213 W214	L135-V217 HydrophobicContact CD2-CG1 3.62Å; F186-V217 WeakPolarHBondContact CZ-O 3.5Å; F189-V217 HydrophobicContact CE1-CB 4.13Å; F189-V217 HydrophobicContact CE1-CG1 3.74Å; F189-V217 HydrophobicContact CZ-CG1 4.01Å; Y190-V217 HydrophobicContact CD2-CG2 3.68Å; Y190-V217 HydrophobicContact CE2-CG2 3.91Å; T193-V217 HydrophobicContact CG2-CG1 4.23Å; Y213-V217 VanDerWaalsContact O-CG2 3.31Å; Y213-V217 WeakPolarHBondContact O-CG2 3.37Å; Y213-V217 PolarHBondContact O-N 2.83Å; W214-V217 PolarHBondContact O-N 2.7Å
218	L	97.5	Very high	97	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	-102.9	-1.5	-178.5	-61.9	-177.1	0	0	0	113.7	F186 Y190 W214 G220 R221 F222 L225 L248 L249	F186-L218 HydrophobicContact CE1-CD2 4.42Å; F186-L218 HydrophobicContact CZ-CD2 4.31Å; Y190-L218 HydrophobicContact CD2-CD2 4Å; Y190-L218 HydrophobicContact CE2-CD1 4.03Å; Y190-L218 HydrophobicContact CE2-CD2 3.76Å; Y190-L218 HydrophobicContact CE2-CG 3.96Å; W214-L218 HydrophobicContact CB-CD1 4.48Å; W214-L218 HydrophobicContact CG-CD1 4.21Å; W214-L218 WeakPolarHBondContact O-CA 3.2Å; W214-L218 VanDerWaalsContact O-CB 3.31Å; W214-L218 WeakPolarHBondContact O-CB 3.34Å; W214-L218 PolarHBondContact O-N 3.28Å; L218-G220 PolarHBondContact O-N 3.39Å; L218-R221 PolarHBondContact O-N 3.32Å; L218-F222 HydrophobicContact CB-CB 3.9Å; L218-F222 HydrophobicContact CD1-CB 4.19Å; L218-F222 HydrophobicContact CD1-CD1 4.25Å; L218-F222 PolarHBondContact O-N 3.31Å; L218-L225 HydrophobicContact CB-CD1 4.31Å; L218-L225 HydrophobicContact CB-CD2 4.32Å; L218-L248 HydrophobicContact CD1-CD2 4.15Å; L218-L249 HydrophobicContact CD2-CD1 4.27Å
219	A	95.6	Very high	97	Very high	61 Å²	61	42.1 Å²	42.1	50%	0.504	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	127	173.6	0	0	0	0	0	111.2	N215 R221	N215-A219 VanDerWaalsContact O-CB 3.29Å; N215-A219 WeakPolarHBondContact O-CB 3.46Å; A219-R221 PolarHBondContact O-N 2.93Å; A219-R221 VanDerWaalsContact O-N 3.16Å
220	G	92.9	Very high	97	Very high	91 Å²	91	43 Å²	43	94%	0.938	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.9	0.7	-177	0	0	0	0	0	115.5	L218	L218-G220 PolarHBondContact O-N 3.39Å
221	R	94.7	Very high	97	Very high	114 Å²	114	43.3 Å²	43.3	43%	0.43	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-39.3	178.3	-65	179.6	177.2	-103.5	8.1	112.3	L180 L218 A219	L180-R221 PolarHBondContact O-NH2 2.86Å; L218-R221 PolarHBondContact O-N 3.32Å; A219-R221 PolarHBondContact O-N 2.93Å; A219-R221 VanDerWaalsContact O-N 3.16Å
222	F	97.3	Very high	97	Very high	6 Å²	6	42 Å²	42	3%	0.026	24%	0.242	C	C	.	.			trans	-101.1	105.5	175.3	-177.2	-148.8	0	0	0	110.6	L218 F224 L225 W228 L248 F251 S252 F275	L218-F222 HydrophobicContact CB-CB 3.9Å; L218-F222 HydrophobicContact CD1-CB 4.19Å; L218-F222 HydrophobicContact CD1-CD1 4.25Å; L218-F222 PolarHBondContact O-N 3.31Å; F222-F224 HydrophobicContact CD2-CB 4.46Å; F222-F224 HydrophobicContact CE1-CB 4.5Å; F222-F224 HydrophobicContact CE2-CB 3.82Å; F222-F224 AromaticContact CE2-CD2 3.94Å; F222-F224 HydrophobicContact CE2-CD2 3.94Å; F222-F224 HydrophobicContact CE2-CG 4.37Å; F222-F224 HydrophobicContact CZ-CB 3.84Å; F222-F224 PolarHBondContact O-N 3.01Å; F222-F224 VanDerWaalsContact O-N 3.14Å; F222-L225 HydrophobicContact CB-CB 4.28Å; F222-L225 HydrophobicContact CD1-CB 3.96Å; F222-L225 HydrophobicContact CD1-CD1 4.15Å; F222-L225 HydrophobicContact CG-CB 4.39Å; F222-L225 VanDerWaalsContact O-CB 3.24Å; F222-L225 WeakPolarHBondContact O-CB 3.4Å; F222-L225 PolarHBondContact O-N 3.49Å; F222-L225 VanDerWaalsContact O-N 3.12Å; F222-W228 HydrophobicContact CE1-CB 3.66Å; F222-W228 HydrophobicContact CE1-CD2 4.44Å; F222-W228 AromaticContact CE1-CG 3.87Å; F222-W228 HydrophobicContact CE1-CG 3.87Å; F222-W228 HydrophobicContact CZ-CB 4.36Å; F222-L248 HydrophobicContact CE1-CD1 4.1Å; F222-L248 HydrophobicContact CZ-CD1 4.16Å; F222-F251 HydrophobicContact CE2-CD1 4.02Å; F222-F251 AromaticContact CE2-CE1 3.84Å; F222-F251 HydrophobicContact CE2-CE1 3.84Å; F222-F251 HydrophobicContact CZ-CD1 4.13Å; F222-F251 AromaticContact CZ-CE1 3.89Å; F222-F251 HydrophobicContact CZ-CE1 3.89Å; F222-S252 WeakPolarHBondContact CA-OG 3.32Å; F222-S252 WeakPolarHBondContact CB-OG 3.49Å; F222-S252 VanDerWaalsContact CD2-OG 3.24Å; F222-S252 WeakPolarHBondContact CD2-OG 3.33Å; F222-F275 HydrophobicContact CZ-CE1 4.1Å; F222-F275 HydrophobicContact CZ-CZ 4.37Å
223	K	95.8	Very high	96.8	Very high	101 Å²	101	43.4 Å²	43.4	44%	0.439	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.1	-176.4	61.1	-172.8	165.7	-165.1	0	115.1	I255 T256 D257	K223-I255 VanDerWaalsContact CE-O 3.25Å; K223-I255 WeakPolarHBondContact CE-O 3.45Å; K223-I255 PolarHBondContact NZ-O 3.42Å; K223-T256 VanDerWaalsContact NZ-C 3.34Å; K223-D257 VanDerWaalsContact CD-OD1 3.29Å; K223-D257 WeakPolarHBondContact CD-OD1 3.27Å; K223-D257 WeakPolarHBondContact CE-OD1 3.45Å; K223-D257 IonicContact NZ-OD1 2.93Å; K223-D257 PolarHBondContact NZ-OD1 2.83Å
224	F	97.8	Very high	96.6	Very high	21 Å²	21	46.7 Å²	46.7	9%	0.092	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	17.6	178.8	-52.4	-64.7	0	0	0	113.4	F222 D226 L227 W228 I255 T256 D257 M259 F275 I283	F222-F224 HydrophobicContact CD2-CB 4.46Å; F222-F224 HydrophobicContact CE1-CB 4.5Å; F222-F224 HydrophobicContact CE2-CB 3.82Å; F222-F224 AromaticContact CE2-CD2 3.94Å; F222-F224 HydrophobicContact CE2-CD2 3.94Å; F222-F224 HydrophobicContact CE2-CG 4.37Å; F222-F224 HydrophobicContact CZ-CB 3.84Å; F222-F224 PolarHBondContact O-N 3.01Å; F222-F224 VanDerWaalsContact O-N 3.14Å; F224-D226 VanDerWaalsContact C-N 3.35Å; F224-D226 PolarHBondContact O-N 3.49Å; F224-L227 PolarHBondContact O-N 3.11Å; F224-L227 VanDerWaalsContact O-N 3.1Å; F224-W228 WeakPolarHBondContact O-CB 3.36Å; F224-W228 PolarHBondContact O-N 3.33Å; F224-I255 HydrophobicContact CD2-CG2 4.14Å; F224-I255 HydrophobicContact CE2-CG1 4.3Å; F224-I255 HydrophobicContact CE2-CG2 3.84Å; F224-T256 WeakPolarHBondContact CE2-O 3.35Å; F224-T256 WeakPolarHBondContact CZ-O 3.46Å; F224-D257 WeakPolarHBondContact CZ-O 3.41Å; F224-M259 HydrophobicContact CB-CE 4.18Å; F224-M259 HydrophobicContact CD1-CE 3.88Å; F224-M259 HydrophobicContact CD2-CE 3.3Å; F224-M259 HydrophobicContact CE1-CE 3.99Å; F224-M259 HydrophobicContact CE2-CE 3.41Å; F224-M259 VanDerWaalsContact CE2-CE 3.41Å; F224-M259 HydrophobicContact CE2-CG 3.92Å; F224-M259 HydrophobicContact CG-CE 3.53Å; F224-M259 HydrophobicContact CZ-CE 3.76Å; F224-M259 HydrophobicContact CZ-CG 3.95Å; F224-F275 HydrophobicContact CB-CE1 4.38Å; F224-F275 HydrophobicContact CB-CZ 3.85Å; F224-I283 HydrophobicContact CD1-CD1 4.29Å; F224-I283 HydrophobicContact CE1-CD1 3.63Å; F224-I283 HydrophobicContact CE1-CG1 4.34Å; F224-I283 HydrophobicContact CZ-CD1 4.02Å
225	L	98	Very high	96.2	Very high	13 Å²	13	52.2 Å²	52.2	7%	0.068	29%	0.286	C	S	.	.	H	α-helix	trans	-55.1	-44.5	-176	-178.8	60.3	0	0	0	113.5	W214 L218 F222 L227 W228 N229	W214-L225 HydrophobicContact CB-CD1 4.19Å; L218-L225 HydrophobicContact CB-CD1 4.31Å; L218-L225 HydrophobicContact CB-CD2 4.32Å; F222-L225 HydrophobicContact CB-CB 4.28Å; F222-L225 HydrophobicContact CD1-CB 3.96Å; F222-L225 HydrophobicContact CD1-CD1 4.15Å; F222-L225 HydrophobicContact CG-CB 4.39Å; F222-L225 VanDerWaalsContact O-CB 3.24Å; F222-L225 WeakPolarHBondContact O-CB 3.4Å; F222-L225 PolarHBondContact O-N 3.49Å; F222-L225 VanDerWaalsContact O-N 3.12Å; L225-L227 VanDerWaalsContact C-N 3.32Å; L225-L227 PolarHBondContact O-N 3.2Å; L225-W228 WeakPolarHBondContact O-CB 3.38Å; L225-W228 PolarHBondContact O-N 2.9Å; L225-N229 VanDerWaalsContact O-CG 3.23Å; L225-N229 PolarHBondContact O-N 3.01Å; L225-N229 PolarHBondContact O-ND2 3.48Å
226	D	97.1	Very high	95.9	Very high	137 Å²	137	51.2 Å²	51.2	73%	0.733	28%	0.279	S	S	*	.	H	α-helix	trans	-63.5	-40.1	178.5	-66.3	-26.5	0	0	0	112	F224 N229 K230	F224-D226 VanDerWaalsContact C-N 3.35Å; F224-D226 PolarHBondContact O-N 3.49Å; D226-N229 PolarHBondContact O-N 2.75Å; D226-K230 PolarHBondContact O-N 2.93Å
227	L	97.3	Very high	95.5	Very high	32 Å²	32	56.1 Å²	56.1	17%	0.168	30%	0.298	C	S	.	.	H	α-helix	trans	-71.7	-36.6	179.5	-166.5	61.7	0	0	0	111.2	F224 L225 K230 F231 F275 F278 A279 H282	F224-L227 PolarHBondContact O-N 3.11Å; F224-L227 VanDerWaalsContact O-N 3.1Å; L225-L227 VanDerWaalsContact C-N 3.32Å; L225-L227 PolarHBondContact O-N 3.2Å; L227-K230 PolarHBondContact O-N 3.09Å; L227-F231 WeakPolarHBondContact O-CB 3.42Å; L227-F231 PolarHBondContact O-N 2.9Å; L227-F275 HydrophobicContact CB-CE2 4.33Å; L227-F275 HydrophobicContact CG-CE2 4.18Å; L227-F278 HydrophobicContact CD1-CD1 4.39Å; L227-F278 HydrophobicContact CD1-CE1 3.6Å; L227-F278 HydrophobicContact CD1-CZ 4.39Å; L227-F278 HydrophobicContact CG-CD1 4.37Å; L227-F278 HydrophobicContact CG-CE1 3.95Å; L227-A279 HydrophobicContact CD2-CB 3.51Å; L227-A279 HydrophobicContact CG-CB 4.33Å; L227-H282 HydrophobicContact CD1-CB 3.94Å; L227-H282 HydrophobicContact CD2-CB 4.18Å
228	W	98.1	Very high	95.3	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-60.3	-47.4	172.2	174.9	-107.6	0	0	0	111.3	W214 F222 F224 L225 K230 F231 L232 L248 L271 F275	W214-W228 AromaticContact CD2-NE1 3.83Å; W214-W228 AromaticContact CE3-NE1 3.43Å; W214-W228 AromaticContact CH2-CZ2 3.81Å; W214-W228 HydrophobicContact CH2-CZ2 3.81Å; W214-W228 AromaticContact CH2-NE1 3.84Å; W214-W228 HydrophobicContact CZ2-CZ2 4.31Å; W214-W228 HydrophobicContact CZ3-CZ2 4.16Å; W214-W228 AromaticContact CZ3-NE1 3.47Å; F222-W228 HydrophobicContact CE1-CB 3.66Å; F222-W228 HydrophobicContact CE1-CD2 4.44Å; F222-W228 AromaticContact CE1-CG 3.87Å; F222-W228 HydrophobicContact CE1-CG 3.87Å; F222-W228 HydrophobicContact CZ-CB 4.36Å; F224-W228 WeakPolarHBondContact O-CB 3.36Å; F224-W228 PolarHBondContact O-N 3.33Å; L225-W228 WeakPolarHBondContact O-CB 3.38Å; L225-W228 PolarHBondContact O-N 2.9Å; W228-K230 PolarHBondContact O-N 3.23Å; W228-F231 HydrophobicContact CE3-CD1 4.15Å; W228-F231 HydrophobicContact CZ3-CD1 4.13Å; W228-F231 HydrophobicContact CZ3-CE1 4.18Å; W228-F231 WeakPolarHBondContact O-CB 3.45Å; W228-F231 PolarHBondContact O-N 2.63Å; W228-L232 HydrophobicContact CD2-CD1 4.22Å; W228-L232 HydrophobicContact CD2-CG 4.25Å; W228-L232 HydrophobicContact CG-CD1 4.35Å; W228-L232 HydrophobicContact CH2-CD2 4.2Å; W228-L232 HydrophobicContact CZ2-CD1 3.95Å; W228-L232 HydrophobicContact CZ2-CD2 3.89Å; W228-L232 HydrophobicContact CZ2-CG 4.15Å; W228-L232 VanDerWaalsContact NE1-CD1 3.26Å; W228-L232 WeakPolarHBondContact O-CB 3.36Å; W228-L232 WeakPolarHBondContact O-CG 3.43Å; W228-L232 PolarHBondContact O-N 3.45Å; W228-L248 HydrophobicContact CD2-CD1 4.14Å; W228-L248 HydrophobicContact CD2-CD2 4.34Å; W228-L248 HydrophobicContact CE3-CD1 4.2Å; W228-L248 HydrophobicContact CH2-CD1 4.08Å; W228-L248 HydrophobicContact CZ2-CD1 4.02Å; W228-L248 HydrophobicContact CZ2-CD2 3.87Å; W228-L248 HydrophobicContact CZ3-CD1 4.17Å; W228-L271 HydrophobicContact CH2-CD2 3.87Å; W228-L271 HydrophobicContact CH2-CG 3.82Å; W228-L271 HydrophobicContact CZ2-CD2 4.26Å; W228-L271 HydrophobicContact CZ3-CG 4.46Å; W228-F275 HydrophobicContact CB-CE2 4.05Å; W228-F275 HydrophobicContact CB-CZ 4.14Å; W228-F275 HydrophobicContact CE3-CB 3.89Å; W228-F275 AromaticContact CE3-CD1 3.76Å; W228-F275 HydrophobicContact CE3-CD1 3.76Å; W228-F275 AromaticContact CE3-CD2 3.62Å; W228-F275 HydrophobicContact CE3-CD2 3.62Å; W228-F275 HydrophobicContact CE3-CE1 4.18Å; W228-F275 HydrophobicContact CE3-CE2 4.05Å; W228-F275 AromaticContact CE3-CG 3.45Å; W228-F275 HydrophobicContact CE3-CG 3.45Å; W228-F275 VanDerWaalsContact CE3-CG 3.45Å; W228-F275 HydrophobicContact CE3-CZ 4.3Å; W228-F275 HydrophobicContact CZ3-CB 3.59Å; W228-F275 HydrophobicContact CZ3-CD1 4.05Å; W228-F275 HydrophobicContact CZ3-CD2 4.23Å; W228-F275 AromaticContact CZ3-CG 3.68Å; W228-F275 HydrophobicContact CZ3-CG 3.68Å
229	N	96.8	Very high	95.2	Very high	22 Å²	22	68.1 Å²	68.1	12%	0.118	35%	0.354	C	S	.	.	H	α-helix	trans	-59.8	-45.8	176.1	-68.4	-21.1	0	0	0	111.9	N215 L225 D226 F231 L232 V233	N215-N229 PolarHBondContact ND2-ND2 3.41Å; N215-N229 PolarHBondContact OD1-ND2 2.71Å; L225-N229 VanDerWaalsContact O-CG 3.23Å; L225-N229 PolarHBondContact O-N 3.01Å; L225-N229 PolarHBondContact O-ND2 3.48Å; D226-N229 PolarHBondContact O-N 2.75Å; N229-F231 PolarHBondContact O-N 3.44Å; N229-L232 PolarHBondContact O-N 2.95Å; N229-V233 WeakPolarHBondContact O-CG2 3.49Å; N229-V233 PolarHBondContact O-N 3.2Å; N229-V233 VanDerWaalsContact O-N 3.12Å
230	K	96.3	Very high	95.4	Very high	82 Å²	82	65.2 Å²	65.2	36%	0.357	33%	0.33	S	S	.	.	H	α-helix	trans	-57.8	-50.4	176.6	-176.3	-174.8	173.6	-167	0	111	D226 L227 W228 L232 V233 E234 F278 H282	D226-K230 PolarHBondContact O-N 2.93Å; L227-K230 PolarHBondContact O-N 3.09Å; W228-K230 PolarHBondContact O-N 3.23Å; K230-L232 PolarHBondContact O-N 3.05Å; K230-V233 PolarHBondContact O-N 2.87Å; K230-E234 VanDerWaalsContact CE-CD 3.48Å; K230-E234 WeakPolarHBondContact CE-OE1 3.17Å; K230-E234 WeakPolarHBondContact CE-OE2 3.46Å; K230-E234 HydrophobicContact CG-CG 4.46Å; K230-E234 WeakPolarHBondContact CG-OE1 3.39Å; K230-E234 WeakPolarHBondContact O-CB 3.32Å; K230-E234 WeakPolarHBondContact O-CG 3.4Å; K230-E234 PolarHBondContact O-N 2.87Å; K230-F278 HydrophobicContact CD-CZ 4.05Å; K230-F278 HydrophobicContact CG-CZ 4.22Å; K230-H282 PolarHBondContact NZ-NE2 2.76Å
231	F	97.3	Very high	95.6	Very high	6 Å²	6	63.8 Å²	63.8	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-56	-48.1	178.4	166.5	-107.5	0	0	0	112.1	L227 W228 N229 V233 E234 H235 L271 D274 F275 F278	L227-F231 WeakPolarHBondContact O-CB 3.42Å; L227-F231 PolarHBondContact O-N 2.9Å; W228-F231 HydrophobicContact CE3-CD1 4.15Å; W228-F231 HydrophobicContact CZ3-CD1 4.13Å; W228-F231 HydrophobicContact CZ3-CE1 4.18Å; W228-F231 WeakPolarHBondContact O-CB 3.45Å; W228-F231 PolarHBondContact O-N 2.63Å; N229-F231 PolarHBondContact O-N 3.44Å; F231-V233 PolarHBondContact O-N 3.42Å; F231-E234 PolarHBondContact O-N 3.23Å; F231-H235 HydrophobicContact CD2-CB 3.97Å; F231-H235 AromaticContact CD2-CD2 3.91Å; F231-H235 HydrophobicContact CE2-CB 3.79Å; F231-H235 WeakPolarHBondContact O-CB 3.28Å; F231-H235 PolarHBondContact O-N 3.33Å; F231-L271 HydrophobicContact CE1-CD1 3.5Å; F231-L271 VanDerWaalsContact CE1-CD1 3.5Å; F231-L271 HydrophobicContact CE1-CG 4.13Å; F231-L271 WeakPolarHBondContact CE1-O 3.34Å; F231-L271 HydrophobicContact CZ-CD1 3.84Å; F231-D274 HydrophobicContact CE2-CB 4.07Å; F231-D274 HydrophobicContact CZ-CB 3.64Å; F231-F275 HydrophobicContact CB-CD2 3.84Å; F231-F275 HydrophobicContact CB-CE2 4.36Å; F231-F275 HydrophobicContact CD1-CB 3.81Å; F231-F275 AromaticContact CD1-CD2 3.82Å; F231-F275 HydrophobicContact CD1-CD2 3.82Å; F231-F275 HydrophobicContact CD1-CG 4.24Å; F231-F275 HydrophobicContact CE1-CB 3.69Å; F231-F275 HydrophobicContact CG-CB 4.32Å; F231-F275 AromaticContact CG-CD2 3.84Å; F231-F275 HydrophobicContact CG-CD2 3.84Å; F231-F275 HydrophobicContact CZ-CB 4.13Å; F231-F278 HydrophobicContact CB-CD1 3.72Å; F231-F278 HydrophobicContact CB-CE1 3.73Å; F231-F278 HydrophobicContact CB-CG 4.3Å; F231-F278 HydrophobicContact CB-CZ 4.32Å; F231-F278 HydrophobicContact CD2-CB 3.79Å; F231-F278 HydrophobicContact CD2-CD1 4.01Å; F231-F278 HydrophobicContact CD2-CD2 4.19Å; F231-F278 AromaticContact CD2-CG 3.75Å; F231-F278 HydrophobicContact CD2-CG 3.75Å; F231-F278 HydrophobicContact CE2-CB 4.23Å; F231-F278 HydrophobicContact CG-CD1 4.23Å; F231-F278 HydrophobicContact CG-CG 4.42Å
232	L	97	Very high	95.7	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.302	C	S	.	.	I	π-helix	trans	-61.5	-42.9	-178.7	-75.7	-179	0	0	0	113.1	L207 I211 W214 W228 N229 K230 H236 K237 I240 L271	L207-L232 HydrophobicContact CD1-CB 4.14Å; L207-L232 HydrophobicContact CD1-CD1 4.08Å; L207-L232 HydrophobicContact CD1-CD2 4.2Å; L207-L232 HydrophobicContact CD1-CG 4.39Å; I211-L232 HydrophobicContact CD1-CB 4.12Å; I211-L232 HydrophobicContact CD1-CD1 4.32Å; I211-L232 HydrophobicContact CG1-CD1 3.86Å; W214-L232 HydrophobicContact CE3-CD1 3.96Å; W214-L232 HydrophobicContact CH2-CD1 4.33Å; W214-L232 HydrophobicContact CZ3-CD1 3.43Å; W214-L232 VanDerWaalsContact CZ3-CD1 3.43Å; W228-L232 HydrophobicContact CD2-CD1 4.22Å; W228-L232 HydrophobicContact CD2-CG 4.25Å; W228-L232 HydrophobicContact CG-CD1 4.35Å; W228-L232 HydrophobicContact CH2-CD2 4.2Å; W228-L232 HydrophobicContact CZ2-CD1 3.95Å; W228-L232 HydrophobicContact CZ2-CD2 3.89Å; W228-L232 HydrophobicContact CZ2-CG 4.15Å; W228-L232 VanDerWaalsContact NE1-CD1 3.26Å; W228-L232 WeakPolarHBondContact O-CB 3.36Å; W228-L232 WeakPolarHBondContact O-CG 3.43Å; W228-L232 PolarHBondContact O-N 3.45Å; N229-L232 PolarHBondContact O-N 2.95Å; K230-L232 PolarHBondContact O-N 3.05Å; L232-H236 HydrophobicContact CD2-CB 3.91Å; L232-H236 PolarHBondContact O-N 3.46Å; L232-K237 PolarHBondContact O-N 3Å; L232-I240 HydrophobicContact CD2-CD1 4.38Å; L232-L271 HydrophobicContact CD2-CD1 4.26Å; L232-L271 HydrophobicContact CD2-CD2 3.87Å; L232-L271 HydrophobicContact CD2-CG 4.38Å
233	V	94.7	Very high	95.7	Very high	86 Å²	86	66.9 Å²	66.9	52%	0.521	33%	0.325	S	S	.	.	I	π-helix	trans	-69.2	-39.2	179.6	172.6	0	0	0	0	111.3	I211 N229 K230 F231 K237	I211-V233 HydrophobicContact CD1-CG2 3.88Å; N229-V233 WeakPolarHBondContact O-CG2 3.49Å; N229-V233 PolarHBondContact O-N 3.2Å; N229-V233 VanDerWaalsContact O-N 3.12Å; K230-V233 PolarHBondContact O-N 2.87Å; F231-V233 PolarHBondContact O-N 3.42Å; V233-K237 WeakPolarHBondContact O-CE 3.23Å
234	E	93.8	Very high	95.8	Very high	95 Å²	95	62.6 Å²	62.6	44%	0.444	31%	0.307	S	S	.	.	I	π-helix	trans	-79	-42	-177.5	-71.1	177.9	-176.1	0	0	112.3	K230 F231	K230-E234 VanDerWaalsContact CE-CD 3.48Å; K230-E234 WeakPolarHBondContact CE-OE1 3.17Å; K230-E234 WeakPolarHBondContact CE-OE2 3.46Å; K230-E234 HydrophobicContact CG-CG 4.46Å; K230-E234 WeakPolarHBondContact CG-OE1 3.39Å; K230-E234 WeakPolarHBondContact O-CB 3.32Å; K230-E234 WeakPolarHBondContact O-CG 3.4Å; K230-E234 PolarHBondContact O-N 2.87Å; F231-E234 PolarHBondContact O-N 3.23Å
235	H	90.6	Very high	95.9	Very high	116 Å²	116	61.6 Å²	61.6	54%	0.537	30%	0.303	S	S	.	.	I	π-helix	trans	-117	-30.4	-163.1	-64.2	-83.2	0	0	0	115.9	F231 F278	F231-H235 HydrophobicContact CD2-CB 3.97Å; F231-H235 AromaticContact CD2-CD2 3.91Å; F231-H235 HydrophobicContact CE2-CB 3.79Å; F231-H235 WeakPolarHBondContact O-CB 3.28Å; F231-H235 PolarHBondContact O-N 3.33Å; H235-F278 AromaticContact CD2-CD2 3.85Å; H235-F278 AromaticContact CD2-CE2 3.79Å; H235-F278 AromaticContact NE2-CD2 3.58Å; H235-F278 AromaticContact NE2-CE2 3.45Å; H235-F278 WeakPolarHBondContact NE2-CE2 3.41Å
236	H	90.9	Very high	95.9	Very high	41 Å²	41	62.4 Å²	62.4	19%	0.19	31%	0.308	C	S	.	.	I	π-helix	trans	-93.1	-58.7	-172.9	-170.5	56.1	0	0	0	114	L232 R238 L271	L232-H236 HydrophobicContact CD2-CB 3.91Å; L232-H236 PolarHBondContact O-N 3.46Å; H236-R238 PolarHBondContact CD2-O 3.24Å; H236-R238 VanDerWaalsContact CD2-O 3.3Å; H236-R238 PolarHBondContact NE2-O 3.41Å; H236-R238 WeakPolarHBondContact O-CG 3.12Å; H236-R238 PolarHBondContact O-N 3.11Å; H236-L271 HydrophobicContact CB-CD1 3.85Å; H236-L271 VanDerWaalsContact ND1-CD1 3.31Å; H236-L271 WeakPolarHBondContact ND1-CD1 3.45Å
237	K	88.4	Confident	95.9	Very high	152 Å²	152	57.7 Å²	57.7	66%	0.661	28%	0.282	S	S	*	.			trans	50.7	29.4	177.4	-56.9	-178.7	-176.9	174.9	0	115.5	L207 L232 V233	L207-K237 VanDerWaalsContact CD2-CA 3.46Å; L232-K237 PolarHBondContact O-N 3Å; V233-K237 WeakPolarHBondContact O-CE 3.23Å
238	R	93.7	Very high	96	Very high	187 Å²	187	56.2 Å²	56.2	71%	0.706	27%	0.274	S	S	*	.	S	Bend	trans	-133.6	164.5	-179	-68.2	177	-169.4	-167	4.7	111.4	L207 H236	L207-R238 WeakPolarHBondContact CB-O 3.42Å; H236-R238 PolarHBondContact CD2-O 3.24Å; H236-R238 VanDerWaalsContact CD2-O 3.3Å; H236-R238 PolarHBondContact NE2-O 3.41Å; H236-R238 WeakPolarHBondContact O-CG 3.12Å; H236-R238 PolarHBondContact O-N 3.11Å
239	S	96	Very high	96	Very high	68 Å²	68	56.8 Å²	56.8	48%	0.476	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-66.2	146.3	177	57.9	0	0	0	0	112.3	L205	L205-S239 CarbonylContact O-C 3.45Å; L205-S239 WeakPolarHBondContact O-CA 3.29Å; L205-S239 VanDerWaalsContact O-CB 3.24Å; L205-S239 WeakPolarHBondContact O-CB 3.47Å
240	I	98.2	Very high	96	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	120.9	-176.9	-56.7	-57.3	0	0	0	109.5	F194 G204 L205 L207 A210 W214 L232 T244 W245 L271	F194-I240 WeakPolarHBondContact CE2-O 3.47Å; G204-I240 CarbonylContact C-O 3.54Å; G204-I240 VanDerWaalsContact CA-O 3.26Å; G204-I240 WeakPolarHBondContact CA-O 3.49Å; L205-I240 PolarHBondContact N-O 3.43Å; L205-I240 PolarHBondContact O-N 3.39Å; L207-I240 HydrophobicContact CD1-CD1 3.89Å; L207-I240 HydrophobicContact CD1-CG1 4.12Å; A210-I240 HydrophobicContact CB-CB 4.18Å; A210-I240 HydrophobicContact CB-CG1 3.63Å; W214-I240 HydrophobicContact CH2-CB 4.2Å; W214-I240 HydrophobicContact CH2-CD1 3.88Å; W214-I240 HydrophobicContact CH2-CG1 3.63Å; W214-I240 HydrophobicContact CH2-CG2 3.63Å; W214-I240 HydrophobicContact CZ2-CG2 3.96Å; W214-I240 HydrophobicContact CZ3-CD1 4.22Å; W214-I240 HydrophobicContact CZ3-CG1 3.93Å; L232-I240 HydrophobicContact CD2-CD1 4.38Å; I240-T244 HydrophobicContact CG2-CG2 4.47Å; I240-W245 HydrophobicContact CG2-CB 4.23Å; I240-L271 HydrophobicContact CD1-CD2 3.83Å
241	P	97.5	Very high	96.1	Very high	61 Å²	61	54 Å²	54	40%	0.396	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	156.5	173.2	31.8	-33.6	0	0	0	111.1	D243 T244 W245	P241-D243 PolarHBondContact O-N 3.15Å; P241-T244 VanDerWaalsContact CG-OG1 3.3Å; P241-T244 WeakPolarHBondContact CG-OG1 3.34Å; P241-T244 PolarHBondContact O-N 3.08Å; P241-W245 PolarHBondContact O-N 2.89Å
242	K	97.5	Very high	96.1	Very high	88 Å²	88	54.4 Å²	54.4	38%	0.383	27%	0.27	S	S	.	.	H	α-helix	trans	-56	-38	-177.7	-172.9	166.9	-179.4	165.2	0	113.3	F194 N195 W245 N246	F194-K242 HydrophobicContact CD1-CB 3.97Å; F194-K242 HydrophobicContact CD1-CD 4.04Å; F194-K242 HydrophobicContact CD1-CG 3.78Å; F194-K242 HydrophobicContact CE1-CB 3.47Å; F194-K242 VanDerWaalsContact CE1-CB 3.47Å; F194-K242 HydrophobicContact CE1-CD 4.1Å; F194-K242 HydrophobicContact CE1-CG 3.82Å; F194-K242 HydrophobicContact CE2-CB 4.38Å; F194-K242 HydrophobicContact CG-CG 4.38Å; F194-K242 VanDerWaalsContact CZ-CA 3.44Å; F194-K242 HydrophobicContact CZ-CB 3.71Å; F194-K242 HydrophobicContact CZ-CG 4.42Å; F194-K242 VanDerWaalsContact CZ-N 3.34Å; N195-K242 PolarHBondContact ND2-NZ 2.97Å; N195-K242 PolarHBondContact OD1-NZ 2.61Å; K242-W245 PolarHBondContact O-N 3.42Å; K242-N246 WeakPolarHBondContact O-CB 3.44Å; K242-N246 PolarHBondContact O-N 3.05Å; K242-N246 PolarHBondContact O-OD1 3.09Å
243	D	97.6	Very high	96	Very high	97 Å²	97	58.9 Å²	58.9	52%	0.519	30%	0.297	S	S	.	.	H	α-helix	trans	-63.4	-49.8	-179.7	-173.2	67.5	0	0	0	111.6	P241 W245 N246 L247	P241-D243 PolarHBondContact O-N 3.15Å; D243-W245 VanDerWaalsContact C-N 3.34Å; D243-W245 PolarHBondContact O-N 2.9Å; D243-N246 PolarHBondContact O-N 3.29Å; D243-N246 VanDerWaalsContact O-N 3.15Å; D243-L247 WeakPolarHBondContact O-CB 3.34Å; D243-L247 PolarHBondContact O-N 2.85Å; D243-L247 WeakPolarHBondContact OD2-CD1 3.5Å
244	T	98.1	Very high	96	Very high	10 Å²	10	58.1 Å²	58.1	6%	0.061	29%	0.289	C	S	.	.	H	α-helix	trans	-60.6	-41	174.7	-54.6	0	0	0	0	112.8	I240 P241 L248 P269 L271	I240-T244 HydrophobicContact CG2-CG2 4.47Å; P241-T244 VanDerWaalsContact CG-OG1 3.3Å; P241-T244 WeakPolarHBondContact CG-OG1 3.34Å; P241-T244 PolarHBondContact O-N 3.08Å; T244-L248 PolarHBondContact O-N 3.12Å; T244-L248 VanDerWaalsContact O-N 3.11Å; T244-P269 HydrophobicContact CG2-CB 4.15Å; T244-P269 HydrophobicContact CG2-CG 4.31Å; T244-P269 WeakPolarHBondContact OG1-CB 3.49Å; T244-L271 HydrophobicContact CG2-CB 4.15Å; T244-L271 HydrophobicContact CG2-CD2 3.79Å; T244-L271 HydrophobicContact CG2-CG 4.47Å
245	W	98.6	Very high	96.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-55.8	-53.2	172.6	178.1	-83.7	0	0	0	110.9	Y190 T193 F194 L205 A210 W214 I240 P241 K242 D243 L248	Y190-W245 AromaticContact CD1-NE1 3.63Å; Y190-W245 HydrophobicContact CD2-CZ2 4.28Å; Y190-W245 AromaticContact CE1-CD1 3.44Å; Y190-W245 VanDerWaalsContact CE1-CD1 3.44Å; Y190-W245 HydrophobicContact CE1-CG 4.25Å; Y190-W245 AromaticContact CE1-NE1 3.29Å; Y190-W245 VanDerWaalsContact CE1-NE1 3.29Å; Y190-W245 WeakPolarHBondContact CE1-O 2.95Å; Y190-W245 AromaticContact CE2-CE2 3.87Å; Y190-W245 AromaticContact CE2-CZ2 3.86Å; Y190-W245 HydrophobicContact CE2-CZ2 3.86Å; Y190-W245 AromaticContact CE2-NE1 3.85Å; Y190-W245 AromaticContact CZ-CD1 3.78Å; Y190-W245 AromaticContact CZ-CE2 3.67Å; Y190-W245 AromaticContact CZ-NE1 3.41Å; Y190-W245 VanDerWaalsContact CZ-O 3.28Å; Y190-W245 PolarHBondContact O-NE1 3.35Å; Y190-W245 PolarHBondContact OH-O 3.42Å; T193-W245 HydrophobicContact CG2-CH2 4.33Å; T193-W245 HydrophobicContact CG2-CZ2 3.98Å; F194-W245 HydrophobicContact CB-CD2 4.08Å; F194-W245 HydrophobicContact CB-CG 3.9Å; F194-W245 HydrophobicContact CD2-CB 3.56Å; F194-W245 AromaticContact CD2-CD2 3.82Å; F194-W245 HydrophobicContact CD2-CD2 3.82Å; F194-W245 HydrophobicContact CD2-CE3 4.12Å; F194-W245 AromaticContact CD2-CG 3.56Å; F194-W245 HydrophobicContact CD2-CG 3.56Å; F194-W245 HydrophobicContact CE2-CB 4.06Å; F194-W245 HydrophobicContact CG-CB 4.32Å; F194-W245 HydrophobicContact CG-CD2 4.44Å; F194-W245 HydrophobicContact CG-CG 4.08Å; L205-W245 HydrophobicContact CD2-CE3 4.08Å; L205-W245 HydrophobicContact CD2-CZ3 3.87Å; A210-W245 HydrophobicContact CB-CZ3 4.21Å; W214-W245 AromaticContact CD1-CH2 3.53Å; W214-W245 AromaticContact CD1-CZ3 3.53Å; W214-W245 HydrophobicContact CD2-CE3 4.08Å; W214-W245 HydrophobicContact CD2-CH2 4.36Å; W214-W245 AromaticContact CD2-CZ3 3.66Å; W214-W245 HydrophobicContact CD2-CZ3 3.66Å; W214-W245 AromaticContact CE2-CE3 3.3Å; W214-W245 AromaticContact CE2-CZ3 3.36Å; W214-W245 HydrophobicContact CE3-CZ3 4.42Å; W214-W245 HydrophobicContact CG-CH2 4.02Å; W214-W245 AromaticContact CG-CZ3 3.79Å; W214-W245 HydrophobicContact CG-CZ3 3.79Å; W214-W245 HydrophobicContact CH2-CE3 4.33Å; W214-W245 HydrophobicContact CZ2-CD2 4.25Å; W214-W245 AromaticContact CZ2-CE3 3.48Å; W214-W245 HydrophobicContact CZ2-CE3 3.48Å; W214-W245 VanDerWaalsContact CZ2-CE3 3.48Å; W214-W245 AromaticContact CZ2-CZ3 3.97Å; W214-W245 HydrophobicContact CZ2-CZ3 3.97Å; W214-W245 AromaticContact NE1-CD2 3.66Å; W214-W245 AromaticContact NE1-CE2 3.99Å; W214-W245 AromaticContact NE1-CE3 3.26Å; W214-W245 VanDerWaalsContact NE1-CE3 3.26Å; W214-W245 AromaticContact NE1-CH2 3.6Å; W214-W245 AromaticContact NE1-CZ2 3.99Å; W214-W245 AromaticContact NE1-CZ3 3.23Å; I240-W245 HydrophobicContact CG2-CB 4.23Å; P241-W245 PolarHBondContact O-N 2.89Å; K242-W245 PolarHBondContact O-N 3.42Å; D243-W245 VanDerWaalsContact C-N 3.34Å; D243-W245 PolarHBondContact O-N 2.9Å; W245-L248 PolarHBondContact O-N 3.37Å
246	N	98.2	Very high	96.3	Very high	31 Å²	31	50.7 Å²	50.7	17%	0.166	26%	0.258	C	S	.	.	H	α-helix	trans	-61.9	-47	-177	-69.9	-9.2	0	0	0	112.6	Q191 K242 D243 L248 L249	Q191-N246 WeakPolarHBondContact CG-OD1 3.43Å; K242-N246 WeakPolarHBondContact O-CB 3.44Å; K242-N246 PolarHBondContact O-N 3.05Å; K242-N246 PolarHBondContact O-OD1 3.09Å; D243-N246 PolarHBondContact O-N 3.29Å; D243-N246 VanDerWaalsContact O-N 3.15Å; N246-L248 VanDerWaalsContact C-N 3.28Å; N246-L248 PolarHBondContact O-N 3.5Å; N246-L249 PolarHBondContact O-N 3.45Å
247	L	98.2	Very high	96.4	Very high	38 Å²	38	54.3 Å²	54.3	20%	0.199	28%	0.278	C	S	.	.	H	α-helix	trans	-70.6	-22.6	-176.1	-71.2	176	0	0	0	112.9	D243 L249 D250 F251 W268 P269 I272	D243-L247 WeakPolarHBondContact O-CB 3.34Å; D243-L247 PolarHBondContact O-N 2.85Å; D243-L247 WeakPolarHBondContact OD2-CD1 3.5Å; L247-L249 PolarHBondContact O-N 3.44Å; L247-D250 PolarHBondContact O-N 3.39Å; L247-F251 WeakPolarHBondContact O-CB 3.5Å; L247-F251 PolarHBondContact O-N 3.49Å; L247-W268 HydrophobicContact CB-CE3 4.14Å; L247-W268 HydrophobicContact CB-CZ3 4.01Å; L247-W268 HydrophobicContact CD2-CZ3 4.05Å; L247-P269 HydrophobicContact CB-CG 4.09Å; L247-P269 HydrophobicContact CD1-CG 3.75Å; L247-I272 HydrophobicContact CB-CD1 4.31Å
248	L	98.6	Very high	96.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.5	-33.6	172.8	-173.4	68.1	0	0	0	112.4	W214 L218 F222 W228 T244 W245 N246 F251 S252 I272	W214-L248 HydrophobicContact CD2-CD2 4.09Å; W214-L248 VanDerWaalsContact CE2-CD2 3.48Å; W214-L248 HydrophobicContact CG-CD2 4.42Å; W214-L248 HydrophobicContact CH2-CD2 4.42Å; W214-L248 HydrophobicContact CZ2-CD2 3.66Å; L218-L248 HydrophobicContact CD1-CD2 4.15Å; F222-L248 HydrophobicContact CE1-CD1 4.1Å; F222-L248 HydrophobicContact CZ-CD1 4.16Å; W228-L248 HydrophobicContact CD2-CD1 4.14Å; W228-L248 HydrophobicContact CD2-CD2 4.34Å; W228-L248 HydrophobicContact CE3-CD1 4.2Å; W228-L248 HydrophobicContact CH2-CD1 4.08Å; W228-L248 HydrophobicContact CZ2-CD1 4.02Å; W228-L248 HydrophobicContact CZ2-CD2 3.87Å; W228-L248 HydrophobicContact CZ3-CD1 4.17Å; T244-L248 PolarHBondContact O-N 3.12Å; T244-L248 VanDerWaalsContact O-N 3.11Å; W245-L248 PolarHBondContact O-N 3.37Å; N246-L248 VanDerWaalsContact C-N 3.28Å; N246-L248 PolarHBondContact O-N 3.5Å; L248-F251 HydrophobicContact CD1-CD1 4.17Å; L248-S252 WeakPolarHBondContact O-CB 3.38Å; L248-S252 PolarHBondContact O-N 3.24Å; L248-I272 HydrophobicContact CD1-CD1 4.46Å
249	L	98.3	Very high	96.6	Very high	12 Å²	12	42.3 Å²	42.3	6%	0.063	24%	0.236	C	C	.	.	H	α-helix	trans	-67.1	-46.1	175.5	177.9	62.5	0	0	0	111	F186 K187 Y190 L218 N246 L247 F251 S252 T253	F186-L249 HydrophobicContact CD1-CD1 4.2Å; F186-L249 HydrophobicContact CD1-CD2 4.4Å; F186-L249 HydrophobicContact CE1-CD1 3.71Å; F186-L249 HydrophobicContact CE1-CD2 4.46Å; K187-L249 HydrophobicContact CB-CD2 4.02Å; K187-L249 HydrophobicContact CG-CD2 4.01Å; Y190-L249 HydrophobicContact CD1-CB 3.77Å; Y190-L249 HydrophobicContact CD1-CD2 3.72Å; Y190-L249 HydrophobicContact CD1-CG 4.3Å; Y190-L249 HydrophobicContact CE1-CB 3.55Å; Y190-L249 HydrophobicContact CE1-CD2 4.39Å; Y190-L249 HydrophobicContact CG-CB 4.39Å; Y190-L249 HydrophobicContact CG-CD2 3.93Å; L218-L249 HydrophobicContact CD2-CD1 4.27Å; N246-L249 PolarHBondContact O-N 3.45Å; L247-L249 PolarHBondContact O-N 3.44Å; L249-F251 VanDerWaalsContact C-N 3.33Å; L249-F251 PolarHBondContact O-N 2.97Å; L249-S252 WeakPolarHBondContact O-CB 3.5Å; L249-S252 PolarHBondContact O-N 3.22Å; L249-T253 WeakPolarHBondContact O-CG2 3.38Å; L249-T253 PolarHBondContact O-N 2.93Å; L249-T253 VanDerWaalsContact O-N 3.1Å
250	D	97.2	Very high	96.4	Very high	47 Å²	47	43 Å²	43	25%	0.251	24%	0.24	S	C	.	.	H	α-helix	trans	-61.9	-45.3	178.7	-66.1	-31.3	0	0	0	109.6	K187 L247 S252 T253 M254 W268	K187-D250 IonicContact NZ-OD1 3.05Å; K187-D250 PolarHBondContact NZ-OD1 2.92Å; K187-D250 IonicContact NZ-OD2 3.94Å; K187-D250 PolarHBondContact NZ-OD2 2.94Å; L247-D250 PolarHBondContact O-N 3.39Å; D250-S252 PolarHBondContact O-N 3.37Å; D250-T253 PolarHBondContact O-N 3.47Å; D250-T253 VanDerWaalsContact O-N 3.11Å; D250-T253 PolarHBondContact O-OG1 2.78Å; D250-M254 WeakPolarHBondContact O-CG 3.49Å; D250-M254 PolarHBondContact O-N 2.92Å; D250-M254 VanDerWaalsContact O-N 3.16Å; D250-W268 HydrophobicContact CB-CH2 4.25Å; D250-W268 HydrophobicContact CB-CZ3 4.36Å
251	F	97.9	Very high	96.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-53.3	-50.6	171	174.5	-94.8	0	0	0	112.6	F222 L247 L248 L249 T253 M254 I255 M259 Y262 W268 I272 F275 V276	F222-F251 HydrophobicContact CE2-CD1 4.02Å; F222-F251 AromaticContact CE2-CE1 3.84Å; F222-F251 HydrophobicContact CE2-CE1 3.84Å; F222-F251 HydrophobicContact CZ-CD1 4.13Å; F222-F251 AromaticContact CZ-CE1 3.89Å; F222-F251 HydrophobicContact CZ-CE1 3.89Å; L247-F251 WeakPolarHBondContact O-CB 3.5Å; L247-F251 PolarHBondContact O-N 3.49Å; L248-F251 HydrophobicContact CD1-CD1 4.17Å; L249-F251 VanDerWaalsContact C-N 3.33Å; L249-F251 PolarHBondContact O-N 2.97Å; F251-T253 PolarHBondContact O-N 3.31Å; F251-M254 HydrophobicContact CB-CE 4.22Å; F251-M254 HydrophobicContact CD2-CE 3.74Å; F251-M254 HydrophobicContact CG-CE 4.4Å; F251-M254 WeakPolarHBondContact O-CG 3.16Å; F251-M254 PolarHBondContact O-N 3.29Å; F251-I255 HydrophobicContact CD1-CG2 4.31Å; F251-I255 HydrophobicContact CD2-CB 4.36Å; F251-I255 HydrophobicContact CD2-CD1 4.5Å; F251-I255 HydrophobicContact CE1-CB 4.32Å; F251-I255 HydrophobicContact CE1-CG1 4.38Å; F251-I255 HydrophobicContact CE1-CG2 3.98Å; F251-I255 HydrophobicContact CE2-CB 4.05Å; F251-I255 HydrophobicContact CE2-CD1 3.72Å; F251-I255 HydrophobicContact CE2-CG1 3.8Å; F251-I255 HydrophobicContact CZ-CB 4.03Å; F251-I255 HydrophobicContact CZ-CD1 4.07Å; F251-I255 HydrophobicContact CZ-CG1 3.69Å; F251-I255 HydrophobicContact CZ-CG2 4.14Å; F251-I255 VanDerWaalsContact O-CB 3.32Å; F251-I255 WeakPolarHBondContact O-CB 3.28Å; F251-I255 VanDerWaalsContact O-CG2 3.23Å; F251-I255 WeakPolarHBondContact O-CG2 3.43Å; F251-I255 PolarHBondContact O-N 2.94Å; F251-M259 HydrophobicContact CZ-CE 4.46Å; F251-Y262 HydrophobicContact CD2-CD2 4.16Å; F251-Y262 AromaticContact CD2-CE2 3.94Å; F251-Y262 HydrophobicContact CD2-CE2 3.94Å; F251-Y262 AromaticContact CE2-CD2 3.71Å; F251-Y262 HydrophobicContact CE2-CD2 3.71Å; F251-Y262 AromaticContact CE2-CE2 3.74Å; F251-Y262 HydrophobicContact CE2-CE2 3.74Å; F251-W268 HydrophobicContact CB-CZ3 4.23Å; F251-I272 HydrophobicContact CB-CD1 4.19Å; F251-I272 HydrophobicContact CB-CG2 4.45Å; F251-I272 HydrophobicContact CD1-CG2 4.5Å; F251-I272 HydrophobicContact CD2-CG2 3.48Å; F251-I272 VanDerWaalsContact CD2-CG2 3.48Å; F251-I272 HydrophobicContact CE2-CG2 3.74Å; F251-I272 HydrophobicContact CG-CG2 3.9Å; F251-I272 HydrophobicContact CZ-CG2 4.37Å; F251-F275 HydrophobicContact CE1-CD1 4.1Å; F251-F275 AromaticContact CE1-CE1 3.8Å; F251-F275 HydrophobicContact CE1-CE1 3.8Å; F251-F275 HydrophobicContact CZ-CD1 4.09Å; F251-F275 HydrophobicContact CZ-CE1 4Å; F251-V276 HydrophobicContact CE2-CG2 3.63Å; F251-V276 HydrophobicContact CZ-CG2 3.78Å
252	S	97.1	Very high	96.3	Very high	13 Å²	13	44.4 Å²	44.4	9%	0.091	24%	0.244	C	C	.	.	H	α-helix	trans	-58	-31.5	179.2	177.4	0	0	0	0	113	F222 L248 L249 D250	F222-S252 WeakPolarHBondContact CA-OG 3.32Å; F222-S252 WeakPolarHBondContact CB-OG 3.49Å; F222-S252 VanDerWaalsContact CD2-OG 3.24Å; F222-S252 WeakPolarHBondContact CD2-OG 3.33Å; L248-S252 WeakPolarHBondContact O-CB 3.38Å; L248-S252 PolarHBondContact O-N 3.24Å; L249-S252 WeakPolarHBondContact O-CB 3.5Å; L249-S252 PolarHBondContact O-N 3.22Å; D250-S252 PolarHBondContact O-N 3.37Å
253	T	94.8	Very high	96.2	Very high	94 Å²	94	44.4 Å²	44.4	58%	0.577	25%	0.248	S	C	*	.	H	α-helix	trans	-82.4	-29.8	-178.7	59.1	0	0	0	0	113.6	L249 D250 F251	L249-T253 WeakPolarHBondContact O-CG2 3.38Å; L249-T253 PolarHBondContact O-N 2.93Å; L249-T253 VanDerWaalsContact O-N 3.1Å; D250-T253 PolarHBondContact O-N 3.47Å; D250-T253 VanDerWaalsContact O-N 3.11Å; D250-T253 PolarHBondContact O-OG1 2.78Å; F251-T253 PolarHBondContact O-N 3.31Å
254	M	94.6	Very high	95.9	Very high	71 Å²	71	45.9 Å²	45.9	35%	0.35	25%	0.251	S	S	.	.	H	α-helix	trans	-96.9	-29	-174	69.6	175.9	-168.2	0	0	113.7	D250 F251 N261 W268	D250-M254 WeakPolarHBondContact O-CG 3.49Å; D250-M254 PolarHBondContact O-N 2.92Å; D250-M254 VanDerWaalsContact O-N 3.16Å; F251-M254 HydrophobicContact CB-CE 4.22Å; F251-M254 HydrophobicContact CD2-CE 3.74Å; F251-M254 HydrophobicContact CG-CE 4.4Å; F251-M254 WeakPolarHBondContact O-CG 3.16Å; F251-M254 PolarHBondContact O-N 3.29Å; M254-N261 PolarHBondContact O-ND2 3.11Å; M254-W268 HydrophobicContact CE-CD2 4.18Å; M254-W268 HydrophobicContact CE-CE3 4.48Å; M254-W268 HydrophobicContact CE-CH2 3.36Å; M254-W268 HydrophobicContact CE-CZ2 2.95Å; M254-W268 HydrophobicContact CE-CZ3 4.11Å; M254-W268 HydrophobicContact SD-CH2 3.56Å; M254-W268 VanDerWaalsContact SD-CH2 3.56Å; M254-W268 HydrophobicContact SD-CZ2 3.29Å; M254-W268 WeakPolarHBondContact SD-CZ2 3.48Å
255	I	96.8	Very high	95.6	Very high	6 Å²	6	54 Å²	54	3%	0.031	29%	0.289	C	S	.	.			trans	-71.1	138.6	-168.3	-164.8	67.3	0	0	0	111	K223 F224 F251 M259 Y262	K223-I255 VanDerWaalsContact CE-O 3.25Å; K223-I255 WeakPolarHBondContact CE-O 3.45Å; K223-I255 PolarHBondContact NZ-O 3.42Å; F224-I255 HydrophobicContact CD2-CG2 4.14Å; F224-I255 HydrophobicContact CE2-CG1 4.3Å; F224-I255 HydrophobicContact CE2-CG2 3.84Å; F251-I255 HydrophobicContact CD1-CG2 4.31Å; F251-I255 HydrophobicContact CD2-CB 4.36Å; F251-I255 HydrophobicContact CD2-CD1 4.5Å; F251-I255 HydrophobicContact CE1-CB 4.32Å; F251-I255 HydrophobicContact CE1-CG1 4.38Å; F251-I255 HydrophobicContact CE1-CG2 3.98Å; F251-I255 HydrophobicContact CE2-CB 4.05Å; F251-I255 HydrophobicContact CE2-CD1 3.72Å; F251-I255 HydrophobicContact CE2-CG1 3.8Å; F251-I255 HydrophobicContact CZ-CB 4.03Å; F251-I255 HydrophobicContact CZ-CD1 4.07Å; F251-I255 HydrophobicContact CZ-CG1 3.69Å; F251-I255 HydrophobicContact CZ-CG2 4.14Å; F251-I255 VanDerWaalsContact O-CB 3.32Å; F251-I255 WeakPolarHBondContact O-CB 3.28Å; F251-I255 VanDerWaalsContact O-CG2 3.23Å; F251-I255 WeakPolarHBondContact O-CG2 3.43Å; F251-I255 PolarHBondContact O-N 2.94Å; I255-M259 HydrophobicContact CD1-CB 4Å; I255-M259 HydrophobicContact CD1-CG 4.23Å; I255-M259 HydrophobicContact CG1-CB 4.17Å; I255-M259 HydrophobicContact CG1-CG 3.86Å; I255-Y262 HydrophobicContact CD1-CD2 4.07Å; I255-Y262 HydrophobicContact CD1-CG 4.44Å
256	T	94.7	Very high	95.3	Very high	48 Å²	48	55.5 Å²	55.5	29%	0.294	30%	0.304	S	S	.	.			trans	-78.6	167.2	175.2	46.8	0	0	0	0	111.9	K223 F224 D258 M259 S260 N261	K223-T256 VanDerWaalsContact NZ-C 3.34Å; F224-T256 WeakPolarHBondContact CE2-O 3.35Å; F224-T256 WeakPolarHBondContact CZ-O 3.46Å; T256-D258 PolarHBondContact O-N 3.45Å; T256-D258 PolarHBondContact OG1-OD1 3.45Å; T256-D258 VanDerWaalsContact OG1-OD1 3.05Å; T256-M259 PolarHBondContact O-N 3.27Å; T256-S260 PolarHBondContact OG1-N 3.06Å; T256-N261 WeakPolarHBondContact CB-OD1 3.45Å; T256-N261 HydrophobicContact CG2-CB 4.02Å; T256-N261 VanDerWaalsContact CG2-CG 3.5Å; T256-N261 WeakPolarHBondContact CG2-OD1 3.46Å; T256-N261 PolarHBondContact N-OD1 2.93Å; T256-N261 PolarHBondContact OG1-N 3.09Å; T256-N261 PolarHBondContact OG1-OD1 3.43Å
257	D	92.7	Very high	95.1	Very high	117 Å²	117	58.4 Å²	58.4	63%	0.626	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-24.6	-175.9	-66.1	-7.3	0	0	0	113.2	K223 F224	K223-D257 VanDerWaalsContact CD-OD1 3.29Å; K223-D257 WeakPolarHBondContact CD-OD1 3.27Å; K223-D257 WeakPolarHBondContact CE-OD1 3.45Å; K223-D257 IonicContact NZ-OD1 2.93Å; K223-D257 PolarHBondContact NZ-OD1 2.83Å; F224-D257 WeakPolarHBondContact CZ-O 3.41Å
258	D	91	Very high	95.1	Very high	88 Å²	88	58.6 Å²	58.6	47%	0.471	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	0.9	175.9	65	-7.9	0	0	0	113.1	T256 S260	T256-D258 PolarHBondContact O-N 3.45Å; T256-D258 PolarHBondContact OG1-OD1 3.45Å; T256-D258 VanDerWaalsContact OG1-OD1 3.05Å; D258-S260 VanDerWaalsContact CG-OG 3.22Å; D258-S260 PolarHBondContact O-N 3.32Å; D258-S260 VanDerWaalsContact OD1-CB 3.28Å; D258-S260 WeakPolarHBondContact OD1-CB 3.39Å; D258-S260 PolarHBondContact OD1-N 2.98Å; D258-S260 VanDerWaalsContact OD1-N 3.09Å; D258-S260 PolarHBondContact OD1-OG 2.85Å; D258-S260 WeakPolarHBondContact OD2-CB 3.47Å; D258-S260 PolarHBondContact OD2-OG 2.97Å; D258-S260 VanDerWaalsContact OD2-OG 3.11Å
259	M	94.2	Very high	95	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	34%	0.335	C	S	.	.			trans	56.4	24.1	-175.1	-54.4	-176.7	169.9	0	0	114.2	F224 F251 I255 T256 N261 Y262 F275 V276 A279 R280 I283	F224-M259 HydrophobicContact CB-CE 4.18Å; F224-M259 HydrophobicContact CD1-CE 3.88Å; F224-M259 HydrophobicContact CD2-CE 3.3Å; F224-M259 HydrophobicContact CE1-CE 3.99Å; F224-M259 HydrophobicContact CE2-CE 3.41Å; F224-M259 VanDerWaalsContact CE2-CE 3.41Å; F224-M259 HydrophobicContact CE2-CG 3.92Å; F224-M259 HydrophobicContact CG-CE 3.53Å; F224-M259 HydrophobicContact CZ-CE 3.76Å; F224-M259 HydrophobicContact CZ-CG 3.95Å; F251-M259 HydrophobicContact CZ-CE 4.46Å; I255-M259 HydrophobicContact CD1-CB 4Å; I255-M259 HydrophobicContact CD1-CG 4.23Å; I255-M259 HydrophobicContact CG1-CB 4.17Å; I255-M259 HydrophobicContact CG1-CG 3.86Å; T256-M259 PolarHBondContact O-N 3.27Å; M259-N261 VanDerWaalsContact C-N 3.33Å; M259-Y262 PolarHBondContact O-N 2.96Å; M259-F275 HydrophobicContact CE-CE1 3.65Å; M259-F275 HydrophobicContact CE-CZ 3.9Å; M259-V276 HydrophobicContact CB-CG1 4.45Å; M259-V276 HydrophobicContact SD-CG1 4.36Å; M259-V276 HydrophobicContact SD-CG2 4.35Å; M259-A279 HydrophobicContact CE-CB 3.43Å; M259-A279 VanDerWaalsContact CE-CB 3.43Å; M259-A279 HydrophobicContact SD-CB 3.5Å; M259-A279 WeakPolarHBondContact SD-CB 3.48Å; M259-R280 HydrophobicContact CB-CG 4.39Å; M259-R280 PolarHBondContact O-NH2 3.49Å; M259-I283 HydrophobicContact CE-CD1 3.88Å; M259-I283 HydrophobicContact CG-CD1 3.87Å; M259-I283 HydrophobicContact SD-CD1 3.83Å
260	S	93.7	Very high	94.9	Very high	81 Å²	81	63.5 Å²	63.5	57%	0.566	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-24.9	-176.3	62.3	0	0	0	0	113	T256 D258 Y262	T256-S260 PolarHBondContact OG1-N 3.06Å; D258-S260 VanDerWaalsContact CG-OG 3.22Å; D258-S260 PolarHBondContact O-N 3.32Å; D258-S260 VanDerWaalsContact OD1-CB 3.28Å; D258-S260 WeakPolarHBondContact OD1-CB 3.39Å; D258-S260 PolarHBondContact OD1-N 2.98Å; D258-S260 VanDerWaalsContact OD1-N 3.09Å; D258-S260 PolarHBondContact OD1-OG 2.85Å; D258-S260 WeakPolarHBondContact OD2-CB 3.47Å; D258-S260 PolarHBondContact OD2-OG 2.97Å; D258-S260 VanDerWaalsContact OD2-OG 3.11Å; S260-Y262 VanDerWaalsContact C-N 3.31Å; S260-Y262 PolarHBondContact O-N 3.31Å
261	N	95.4	Very high	94.9	Very high	76 Å²	76	61.9 Å²	61.9	41%	0.406	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	11.3	176.5	78.1	-43.2	0	0	0	114.7	M254 T256 M259	M254-N261 PolarHBondContact O-ND2 3.11Å; T256-N261 WeakPolarHBondContact CB-OD1 3.45Å; T256-N261 HydrophobicContact CG2-CB 4.02Å; T256-N261 VanDerWaalsContact CG2-CG 3.5Å; T256-N261 WeakPolarHBondContact CG2-OD1 3.46Å; T256-N261 PolarHBondContact N-OD1 2.93Å; T256-N261 PolarHBondContact OG1-N 3.09Å; T256-N261 PolarHBondContact OG1-OD1 3.43Å; M259-N261 VanDerWaalsContact C-N 3.33Å
262	Y	96.9	Very high	94.9	Very high	16 Å²	16	61.9 Å²	61.9	6%	0.063	35%	0.352	C	S	.	.			trans	-69.3	130.5	176.2	-172.2	-110.2	0	0	0	110.9	F251 I255 M259 S260 E264 W268 I272 D273 V276	F251-Y262 HydrophobicContact CD2-CD2 4.16Å; F251-Y262 AromaticContact CD2-CE2 3.94Å; F251-Y262 HydrophobicContact CD2-CE2 3.94Å; F251-Y262 AromaticContact CE2-CD2 3.71Å; F251-Y262 HydrophobicContact CE2-CD2 3.71Å; F251-Y262 AromaticContact CE2-CE2 3.74Å; F251-Y262 HydrophobicContact CE2-CE2 3.74Å; I255-Y262 HydrophobicContact CD1-CD2 4.07Å; I255-Y262 HydrophobicContact CD1-CG 4.44Å; M259-Y262 PolarHBondContact O-N 2.96Å; S260-Y262 VanDerWaalsContact C-N 3.31Å; S260-Y262 PolarHBondContact O-N 3.31Å; Y262-E264 HydrophobicContact CD1-CG 3.82Å; Y262-E264 HydrophobicContact CE1-CG 3.91Å; Y262-W268 AromaticContact CE2-CD1 3.64Å; Y262-W268 HydrophobicContact CE2-CG 4.03Å; Y262-W268 AromaticContact CZ-CD1 3.68Å; Y262-W268 VanDerWaalsContact OH-CB 3.27Å; Y262-W268 WeakPolarHBondContact OH-CB 3.43Å; Y262-I272 HydrophobicContact CE2-CG2 4Å; Y262-D273 WeakPolarHBondContact CE1-OD1 3.39Å; Y262-D273 PolarHBondContact OH-N 3.05Å; Y262-D273 PolarHBondContact OH-OD1 3.4Å; Y262-V276 HydrophobicContact CD1-CB 4.12Å; Y262-V276 HydrophobicContact CD1-CG1 3.76Å; Y262-V276 HydrophobicContact CD1-CG2 4.03Å; Y262-V276 HydrophobicContact CD2-CG2 3.78Å; Y262-V276 HydrophobicContact CE1-CB 4.2Å; Y262-V276 HydrophobicContact CE1-CG1 4.33Å; Y262-V276 HydrophobicContact CE1-CG2 4.07Å; Y262-V276 HydrophobicContact CE2-CG2 3.81Å; Y262-V276 HydrophobicContact CG-CB 4.37Å; Y262-V276 HydrophobicContact CG-CG1 3.94Å; Y262-V276 HydrophobicContact CG-CG2 3.87Å
263	D	94.9	Very high	94.9	Very high	88 Å²	88	63 Å²	63	47%	0.471	36%	0.357	S	S	.	.			trans	-102.8	105.8	176.7	178.9	14	0	0	0	110	E265 G266 W268	D263-E265 PolarHBondContact O-N 2.49Å; D263-E265 PolarHBondContact OD1-N 3.42Å; D263-G266 PolarHBondContact O-N 3.4Å; D263-G266 VanDerWaalsContact O-N 3.07Å; D263-W268 VanDerWaalsContact O-CD1 3.29Å
264	E	91.7	Very high	95	Very high	127 Å²	127	62.1 Å²	62.1	59%	0.593	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.1	179.2	-66	170.8	-162	0	0	112.2	Y262 R280	Y262-E264 HydrophobicContact CD1-CG 3.82Å; Y262-E264 HydrophobicContact CE1-CG 3.91Å; E264-R280 IonicContact OE1-NH1 3.24Å; E264-R280 PolarHBondContact OE1-NH1 2.77Å
265	E	92.9	Very high	95.2	Very high	182 Å²	182	58.7 Å²	58.7	85%	0.85	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-0.1	173.9	-59.1	-169.8	156.2	0	0	112.6	D263 A267	D263-E265 PolarHBondContact O-N 2.49Å; D263-E265 PolarHBondContact OD1-N 3.42Å; E265-A267 PolarHBondContact O-N 3.06Å
266	G	91.7	Very high	95.2	Very high	31 Å²	31	58.5 Å²	58.5	32%	0.32	33%	0.331	S	S	.	.	S	Bend	trans	-71.8	12	-172.5	0	0	0	0	0	116.6	D263 W268	D263-G266 PolarHBondContact O-N 3.4Å; D263-G266 VanDerWaalsContact O-N 3.07Å; G266-W268 PolarHBondContact O-N 3.22Å
267	A	94.9	Very high	95.1	Very high	91 Å²	91	62.1 Å²	62.1	75%	0.752	35%	0.345	S	S	*	.			trans	53.4	35.6	-176.6	0	0	0	0	0	113.9	E265	E265-A267 PolarHBondContact O-N 3.06Å
268	W	97.2	Very high	95.3	Very high	43 Å²	43	57.5 Å²	57.5	16%	0.163	32%	0.319	C	S	.	.			trans	-67.3	156.7	173.7	-64.6	104.2	0	0	0	111.2	L247 D250 F251 M254 Y262 D263 G266 V270 I272	L247-W268 HydrophobicContact CB-CE3 4.14Å; L247-W268 HydrophobicContact CB-CZ3 4.01Å; L247-W268 HydrophobicContact CD2-CZ3 4.05Å; D250-W268 HydrophobicContact CB-CH2 4.25Å; D250-W268 HydrophobicContact CB-CZ3 4.36Å; F251-W268 HydrophobicContact CB-CZ3 4.23Å; M254-W268 HydrophobicContact CE-CD2 4.18Å; M254-W268 HydrophobicContact CE-CE3 4.48Å; M254-W268 HydrophobicContact CE-CH2 3.36Å; M254-W268 HydrophobicContact CE-CZ2 2.95Å; M254-W268 HydrophobicContact CE-CZ3 4.11Å; M254-W268 HydrophobicContact SD-CH2 3.56Å; M254-W268 VanDerWaalsContact SD-CH2 3.56Å; M254-W268 HydrophobicContact SD-CZ2 3.29Å; M254-W268 WeakPolarHBondContact SD-CZ2 3.48Å; Y262-W268 AromaticContact CE2-CD1 3.64Å; Y262-W268 HydrophobicContact CE2-CG 4.03Å; Y262-W268 AromaticContact CZ-CD1 3.68Å; Y262-W268 VanDerWaalsContact OH-CB 3.27Å; Y262-W268 WeakPolarHBondContact OH-CB 3.43Å; D263-W268 VanDerWaalsContact O-CD1 3.29Å; G266-W268 PolarHBondContact O-N 3.22Å; W268-V270 PolarHBondContact O-N 3.21Å; W268-I272 HydrophobicContact CB-CB 4.39Å; W268-I272 HydrophobicContact CE3-CD1 4.18Å
269	P	97	Very high	95.5	Very high	15 Å²	15	53.3 Å²	53.3	10%	0.097	30%	0.297	C	S	.	.			trans	-59.3	137.5	167.1	-17.4	30.1	0	0	0	109.2	T244 L247 L271 I272 D273	T244-P269 HydrophobicContact CG2-CB 4.15Å; T244-P269 HydrophobicContact CG2-CG 4.31Å; T244-P269 WeakPolarHBondContact OG1-CB 3.49Å; L247-P269 HydrophobicContact CB-CG 4.09Å; L247-P269 HydrophobicContact CD1-CG 3.75Å; P269-L271 PolarHBondContact O-N 2.84Å; P269-I272 HydrophobicContact CB-CG1 4.46Å; P269-I272 HydrophobicContact CG-CD1 4.13Å; P269-I272 HydrophobicContact CG-CG1 4.3Å; P269-I272 WeakPolarHBondContact O-CA 3.43Å; P269-I272 WeakPolarHBondContact O-CB 3.44Å; P269-I272 PolarHBondContact O-N 3.3Å; P269-D273 PolarHBondContact O-N 3.26Å
270	V	96.3	Very high	95.4	Very high	99 Å²	99	57.4 Å²	57.4	60%	0.6	31%	0.312	S	S	*	.	H	α-helix	trans	-48.7	-32.4	175.8	179	0	0	0	0	112.4	W268 I272 D273 D274	W268-V270 PolarHBondContact O-N 3.21Å; V270-I272 VanDerWaalsContact C-N 3.29Å; V270-I272 PolarHBondContact O-N 3.07Å; V270-D273 WeakPolarHBondContact CA-OD2 3.36Å; V270-D273 WeakPolarHBondContact O-CB 2.91Å; V270-D273 PolarHBondContact O-N 2.98Å; V270-D274 WeakPolarHBondContact O-CB 3.44Å; V270-D274 VanDerWaalsContact O-CG 3.26Å; V270-D274 PolarHBondContact O-N 3Å
271	L	97.4	Very high	95.3	Very high	13 Å²	13	59.8 Å²	59.8	7%	0.068	32%	0.317	C	S	.	.	H	α-helix	trans	-62.2	-33.7	176.5	-170.9	60	0	0	0	113.9	W228 F231 L232 H236 I240 T244 P269 F275	W228-L271 HydrophobicContact CH2-CD2 3.87Å; W228-L271 HydrophobicContact CH2-CG 3.82Å; W228-L271 HydrophobicContact CZ2-CD2 4.26Å; W228-L271 HydrophobicContact CZ3-CG 4.46Å; F231-L271 HydrophobicContact CE1-CD1 3.5Å; F231-L271 VanDerWaalsContact CE1-CD1 3.5Å; F231-L271 HydrophobicContact CE1-CG 4.13Å; F231-L271 WeakPolarHBondContact CE1-O 3.34Å; F231-L271 HydrophobicContact CZ-CD1 3.84Å; L232-L271 HydrophobicContact CD2-CD1 4.26Å; L232-L271 HydrophobicContact CD2-CD2 3.87Å; L232-L271 HydrophobicContact CD2-CG 4.38Å; H236-L271 HydrophobicContact CB-CD1 3.85Å; H236-L271 VanDerWaalsContact ND1-CD1 3.31Å; H236-L271 WeakPolarHBondContact ND1-CD1 3.45Å; I240-L271 HydrophobicContact CD1-CD2 3.83Å; T244-L271 HydrophobicContact CG2-CB 4.15Å; T244-L271 HydrophobicContact CG2-CD2 3.79Å; T244-L271 HydrophobicContact CG2-CG 4.47Å; P269-L271 PolarHBondContact O-N 2.84Å; L271-F275 WeakPolarHBondContact O-CB 3.38Å; L271-F275 PolarHBondContact O-N 3.34Å; L271-F275 VanDerWaalsContact O-N 3.17Å
272	I	98	Very high	94.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-76.5	-39.4	175.6	-60.2	-171	0	0	0	109.8	L247 L248 F251 Y262 W268 P269 V270 F275 V276	L247-I272 HydrophobicContact CB-CD1 4.31Å; L248-I272 HydrophobicContact CD1-CD1 4.46Å; F251-I272 HydrophobicContact CB-CD1 4.19Å; F251-I272 HydrophobicContact CB-CG2 4.45Å; F251-I272 HydrophobicContact CD1-CG2 4.5Å; F251-I272 HydrophobicContact CD2-CG2 3.48Å; F251-I272 VanDerWaalsContact CD2-CG2 3.48Å; F251-I272 HydrophobicContact CE2-CG2 3.74Å; F251-I272 HydrophobicContact CG-CG2 3.9Å; F251-I272 HydrophobicContact CZ-CG2 4.37Å; Y262-I272 HydrophobicContact CE2-CG2 4Å; W268-I272 HydrophobicContact CB-CB 4.39Å; W268-I272 HydrophobicContact CE3-CD1 4.18Å; P269-I272 HydrophobicContact CB-CG1 4.46Å; P269-I272 HydrophobicContact CG-CD1 4.13Å; P269-I272 HydrophobicContact CG-CG1 4.3Å; P269-I272 WeakPolarHBondContact O-CA 3.43Å; P269-I272 WeakPolarHBondContact O-CB 3.44Å; P269-I272 PolarHBondContact O-N 3.3Å; V270-I272 VanDerWaalsContact C-N 3.29Å; V270-I272 PolarHBondContact O-N 3.07Å; I272-F275 WeakPolarHBondContact O-CB 3.45Å; I272-F275 PolarHBondContact O-N 3.34Å; I272-V276 WeakPolarHBondContact O-CG2 3.45Å; I272-V276 PolarHBondContact O-N 2.83Å
273	D	96.9	Very high	94.2	Very high	38 Å²	38	60.4 Å²	60.4	20%	0.203	32%	0.319	C	S	.	.	H	α-helix	trans	-56.3	-54.7	173.2	-61.5	-46.5	0	0	0	110.8	Y262 P269 V270 F275 V276 E277	Y262-D273 WeakPolarHBondContact CE1-OD1 3.39Å; Y262-D273 PolarHBondContact OH-N 3.05Å; Y262-D273 PolarHBondContact OH-OD1 3.4Å; P269-D273 PolarHBondContact O-N 3.26Å; V270-D273 WeakPolarHBondContact CA-OD2 3.36Å; V270-D273 WeakPolarHBondContact O-CB 2.91Å; V270-D273 PolarHBondContact O-N 2.98Å; D273-F275 PolarHBondContact O-N 3.42Å; D273-V276 PolarHBondContact O-N 3.23Å; D273-E277 PolarHBondContact O-N 3.07Å; D273-E277 VanDerWaalsContact O-N 3.13Å
274	D	96.9	Very high	92.7	Very high	74 Å²	74	59 Å²	59	40%	0.396	33%	0.325	S	S	.	.	H	α-helix	trans	-57.4	-37.2	178.1	-69.6	-15	0	0	0	111.8	F231 V270 F278	F231-D274 HydrophobicContact CE2-CB 4.07Å; F231-D274 HydrophobicContact CZ-CB 3.64Å; V270-D274 WeakPolarHBondContact O-CB 3.44Å; V270-D274 VanDerWaalsContact O-CG 3.26Å; V270-D274 PolarHBondContact O-N 3Å; D274-F278 WeakPolarHBondContact O-CB 3.31Å; D274-F278 PolarHBondContact O-N 3.13Å
275	F	97.6	Very high	90.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-66.6	-41.8	176.9	169.1	-112.6	0	0	0	112.3	F222 F224 L227 W228 F231 F251 M259 L271 I272 D273 E277 F278 A279	F222-F275 HydrophobicContact CZ-CE1 4.1Å; F222-F275 HydrophobicContact CZ-CZ 4.37Å; F224-F275 HydrophobicContact CB-CE1 4.38Å; F224-F275 HydrophobicContact CB-CZ 3.85Å; L227-F275 HydrophobicContact CB-CE2 4.33Å; L227-F275 HydrophobicContact CG-CE2 4.18Å; W228-F275 HydrophobicContact CB-CE2 4.05Å; W228-F275 HydrophobicContact CB-CZ 4.14Å; W228-F275 HydrophobicContact CE3-CB 3.89Å; W228-F275 AromaticContact CE3-CD1 3.76Å; W228-F275 HydrophobicContact CE3-CD1 3.76Å; W228-F275 AromaticContact CE3-CD2 3.62Å; W228-F275 HydrophobicContact CE3-CD2 3.62Å; W228-F275 HydrophobicContact CE3-CE1 4.18Å; W228-F275 HydrophobicContact CE3-CE2 4.05Å; W228-F275 AromaticContact CE3-CG 3.45Å; W228-F275 HydrophobicContact CE3-CG 3.45Å; W228-F275 VanDerWaalsContact CE3-CG 3.45Å; W228-F275 HydrophobicContact CE3-CZ 4.3Å; W228-F275 HydrophobicContact CZ3-CB 3.59Å; W228-F275 HydrophobicContact CZ3-CD1 4.05Å; W228-F275 HydrophobicContact CZ3-CD2 4.23Å; W228-F275 AromaticContact CZ3-CG 3.68Å; W228-F275 HydrophobicContact CZ3-CG 3.68Å; F231-F275 HydrophobicContact CB-CD2 3.84Å; F231-F275 HydrophobicContact CB-CE2 4.36Å; F231-F275 HydrophobicContact CD1-CB 3.81Å; F231-F275 AromaticContact CD1-CD2 3.82Å; F231-F275 HydrophobicContact CD1-CD2 3.82Å; F231-F275 HydrophobicContact CD1-CG 4.24Å; F231-F275 HydrophobicContact CE1-CB 3.69Å; F231-F275 HydrophobicContact CG-CB 4.32Å; F231-F275 AromaticContact CG-CD2 3.84Å; F231-F275 HydrophobicContact CG-CD2 3.84Å; F231-F275 HydrophobicContact CZ-CB 4.13Å; F251-F275 HydrophobicContact CE1-CD1 4.1Å; F251-F275 AromaticContact CE1-CE1 3.8Å; F251-F275 HydrophobicContact CE1-CE1 3.8Å; F251-F275 HydrophobicContact CZ-CD1 4.09Å; F251-F275 HydrophobicContact CZ-CE1 4Å; M259-F275 HydrophobicContact CE-CE1 3.65Å; M259-F275 HydrophobicContact CE-CZ 3.9Å; L271-F275 WeakPolarHBondContact O-CB 3.38Å; L271-F275 PolarHBondContact O-N 3.34Å; L271-F275 VanDerWaalsContact O-N 3.17Å; I272-F275 WeakPolarHBondContact O-CB 3.45Å; I272-F275 PolarHBondContact O-N 3.34Å; D273-F275 PolarHBondContact O-N 3.42Å; F275-E277 VanDerWaalsContact C-N 3.35Å; F275-F278 HydrophobicContact CD2-CD1 4.48Å; F275-F278 PolarHBondContact O-N 3.42Å; F275-A279 HydrophobicContact CD2-CB 4.41Å; F275-A279 HydrophobicContact CE1-CB 4.42Å; F275-A279 HydrophobicContact CE2-CB 4.01Å; F275-A279 HydrophobicContact CZ-CB 4.03Å; F275-A279 WeakPolarHBondContact O-CB 3.24Å; F275-A279 PolarHBondContact O-N 3.23Å
276	V	96.6	Very high	88.8	Confident	1 Å²	1	58 Å²	58	1%	0.006	33%	0.325	C	S	.	.	H	α-helix	trans	-64.1	-42.9	179.2	170.4	0	0	0	0	110.5	F251 M259 Y262 I272 D273 F278 A279 R280	F251-V276 HydrophobicContact CE2-CG2 3.63Å; F251-V276 HydrophobicContact CZ-CG2 3.78Å; M259-V276 HydrophobicContact CB-CG1 4.45Å; M259-V276 HydrophobicContact SD-CG1 4.36Å; M259-V276 HydrophobicContact SD-CG2 4.35Å; Y262-V276 HydrophobicContact CD1-CB 4.12Å; Y262-V276 HydrophobicContact CD1-CG1 3.76Å; Y262-V276 HydrophobicContact CD1-CG2 4.03Å; Y262-V276 HydrophobicContact CD2-CG2 3.78Å; Y262-V276 HydrophobicContact CE1-CB 4.2Å; Y262-V276 HydrophobicContact CE1-CG1 4.33Å; Y262-V276 HydrophobicContact CE1-CG2 4.07Å; Y262-V276 HydrophobicContact CE2-CG2 3.81Å; Y262-V276 HydrophobicContact CG-CB 4.37Å; Y262-V276 HydrophobicContact CG-CG1 3.94Å; Y262-V276 HydrophobicContact CG-CG2 3.87Å; I272-V276 WeakPolarHBondContact O-CG2 3.45Å; I272-V276 PolarHBondContact O-N 2.83Å; D273-V276 PolarHBondContact O-N 3.23Å; V276-F278 PolarHBondContact O-N 3.18Å; V276-A279 PolarHBondContact O-N 3.23Å; V276-R280 HydrophobicContact CG1-CG 4.27Å; V276-R280 WeakPolarHBondContact O-CB 3.2Å; V276-R280 VanDerWaalsContact O-CG 3.28Å; V276-R280 WeakPolarHBondContact O-CG 3.46Å; V276-R280 PolarHBondContact O-N 3.5Å
277	E	94.3	Very high	86.3	Confident	125 Å²	125	61.6 Å²	61.6	58%	0.584	35%	0.345	S	S	*	.	H	α-helix	trans	-57.6	-48.8	173.6	-67.5	-170.5	171.7	0	0	111.6	D273 F275 A279	D273-E277 PolarHBondContact O-N 3.07Å; D273-E277 VanDerWaalsContact O-N 3.13Å; F275-E277 VanDerWaalsContact C-N 3.35Å; E277-A279 PolarHBondContact O-N 3.17Å
278	F	95.4	Very high	83.5	Confident	20 Å²	20	63.5 Å²	63.5	9%	0.088	35%	0.347	C	S	.	.	H	α-helix	trans	-60.7	-44.5	176.6	171.4	-93.2	0	0	0	112.5	L227 K230 F231 H235 D274 F275 V276 L281 H282	L227-F278 HydrophobicContact CD1-CD1 4.39Å; L227-F278 HydrophobicContact CD1-CE1 3.6Å; L227-F278 HydrophobicContact CD1-CZ 4.39Å; L227-F278 HydrophobicContact CG-CD1 4.37Å; L227-F278 HydrophobicContact CG-CE1 3.95Å; K230-F278 HydrophobicContact CD-CZ 4.05Å; K230-F278 HydrophobicContact CG-CZ 4.22Å; F231-F278 HydrophobicContact CB-CD1 3.72Å; F231-F278 HydrophobicContact CB-CE1 3.73Å; F231-F278 HydrophobicContact CB-CG 4.3Å; F231-F278 HydrophobicContact CB-CZ 4.32Å; F231-F278 HydrophobicContact CD2-CB 3.79Å; F231-F278 HydrophobicContact CD2-CD1 4.01Å; F231-F278 HydrophobicContact CD2-CD2 4.19Å; F231-F278 AromaticContact CD2-CG 3.75Å; F231-F278 HydrophobicContact CD2-CG 3.75Å; F231-F278 HydrophobicContact CE2-CB 4.23Å; F231-F278 HydrophobicContact CG-CD1 4.23Å; F231-F278 HydrophobicContact CG-CG 4.42Å; H235-F278 AromaticContact CD2-CD2 3.85Å; H235-F278 AromaticContact CD2-CE2 3.79Å; H235-F278 AromaticContact NE2-CD2 3.58Å; H235-F278 AromaticContact NE2-CE2 3.45Å; H235-F278 WeakPolarHBondContact NE2-CE2 3.41Å; D274-F278 WeakPolarHBondContact O-CB 3.31Å; D274-F278 PolarHBondContact O-N 3.13Å; F275-F278 HydrophobicContact CD2-CD1 4.48Å; F275-F278 PolarHBondContact O-N 3.42Å; V276-F278 PolarHBondContact O-N 3.18Å; F278-L281 PolarHBondContact O-N 3.29Å; F278-H282 AromaticContact CD2-CE1 3.87Å; F278-H282 AromaticContact CE1-CE1 3.81Å; F278-H282 AromaticContact CE1-ND1 3.92Å; F278-H282 AromaticContact CE2-CE1 3.36Å; F278-H282 WeakPolarHBondContact CE2-CE1 3.45Å; F278-H282 AromaticContact CZ-CE1 3.34Å; F278-H282 WeakPolarHBondContact CZ-CE1 3.3Å; F278-H282 AromaticContact CZ-ND1 3.92Å; F278-H282 AromaticContact CZ-NE2 3.84Å; F278-H282 PolarHBondContact O-ND1 3.35Å
279	A	95.2	Very high	80.5	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-73.3	-37.5	-172.3	0	0	0	0	0	112.6	L227 M259 F275 V276 E277 L281 H282 I283	L227-A279 HydrophobicContact CD2-CB 3.51Å; L227-A279 HydrophobicContact CG-CB 4.33Å; M259-A279 HydrophobicContact CE-CB 3.43Å; M259-A279 VanDerWaalsContact CE-CB 3.43Å; M259-A279 HydrophobicContact SD-CB 3.5Å; M259-A279 WeakPolarHBondContact SD-CB 3.48Å; F275-A279 HydrophobicContact CD2-CB 4.41Å; F275-A279 HydrophobicContact CE1-CB 4.42Å; F275-A279 HydrophobicContact CE2-CB 4.01Å; F275-A279 HydrophobicContact CZ-CB 4.03Å; F275-A279 WeakPolarHBondContact O-CB 3.24Å; F275-A279 PolarHBondContact O-N 3.23Å; V276-A279 PolarHBondContact O-N 3.23Å; E277-A279 PolarHBondContact O-N 3.17Å; A279-L281 PolarHBondContact O-N 2.89Å; A279-H282 WeakPolarHBondContact O-CA 3.43Å; A279-H282 PolarHBondContact O-N 3.22Å; A279-I283 HydrophobicContact CB-CD1 4.4Å; A279-I283 WeakPolarHBondContact O-CG1 3.26Å; A279-I283 PolarHBondContact O-N 2.93Å
280	R	93.1	Very high	77.5	Confident	85 Å²	85	75.8 Å²	75.8	32%	0.321	44%	0.437	S	S	.	.	H	α-helix	trans	-55.6	-37.1	175.9	-78.2	171.8	172.1	168.6	-2.1	112.2	M259 E264 V276 H282 G284	M259-R280 HydrophobicContact CB-CG 4.39Å; M259-R280 PolarHBondContact O-NH2 3.49Å; E264-R280 IonicContact OE1-NH1 3.24Å; E264-R280 PolarHBondContact OE1-NH1 2.77Å; V276-R280 HydrophobicContact CG1-CG 4.27Å; V276-R280 WeakPolarHBondContact O-CB 3.2Å; V276-R280 VanDerWaalsContact O-CG 3.28Å; V276-R280 WeakPolarHBondContact O-CG 3.46Å; V276-R280 PolarHBondContact O-N 3.5Å; R280-H282 VanDerWaalsContact C-N 3.28Å; R280-H282 PolarHBondContact O-N 3.3Å; R280-G284 PolarHBondContact O-N 3.44Å
281	L	90.2	Very high	76.5	Confident	131 Å²	131	74.7 Å²	74.7	69%	0.686	43%	0.429	S	S	*	.	H	α-helix	trans	-65	-30	175.8	-60.2	174.4	0	0	0	113.2	F278 A279 T285	F278-L281 PolarHBondContact O-N 3.29Å; A279-L281 PolarHBondContact O-N 2.89Å; L281-T285 PolarHBondContact O-OG1 3.06Å; L281-T285 VanDerWaalsContact O-OG1 3.05Å
282	H	87.3	Confident	75.5	Confident	58 Å²	58	77.9 Å²	77.9	27%	0.269	45%	0.448	S	S	.	.	H	α-helix	trans	-91.5	-26.1	-178.2	-69.4	83	0	0	0	113.2	L227 K230 F278 A279 R280 T285	L227-H282 HydrophobicContact CD1-CB 3.94Å; L227-H282 HydrophobicContact CD2-CB 4.18Å; K230-H282 PolarHBondContact NZ-NE2 2.76Å; F278-H282 AromaticContact CD2-CE1 3.87Å; F278-H282 AromaticContact CE1-CE1 3.81Å; F278-H282 AromaticContact CE1-ND1 3.92Å; F278-H282 AromaticContact CE2-CE1 3.36Å; F278-H282 WeakPolarHBondContact CE2-CE1 3.45Å; F278-H282 AromaticContact CZ-CE1 3.34Å; F278-H282 WeakPolarHBondContact CZ-CE1 3.3Å; F278-H282 AromaticContact CZ-ND1 3.92Å; F278-H282 AromaticContact CZ-NE2 3.84Å; F278-H282 PolarHBondContact O-ND1 3.35Å; A279-H282 WeakPolarHBondContact O-CA 3.43Å; A279-H282 PolarHBondContact O-N 3.22Å; R280-H282 VanDerWaalsContact C-N 3.28Å; R280-H282 PolarHBondContact O-N 3.3Å; H282-T285 WeakPolarHBondContact CA-OG1 3.44Å; H282-T285 PolarHBondContact O-OG1 3.3Å; H282-T285 VanDerWaalsContact O-OG1 3.11Å
283	I	83.4	Confident	74.2	Confident	47 Å²	47	82.2 Å²	82.2	24%	0.241	47%	0.473	C	S	.	.	H	α-helix	trans	-76.7	-40.4	177.3	-65.6	165.7	0	0	0	110.3	F224 M259 A279 T285	F224-I283 HydrophobicContact CD1-CD1 4.29Å; F224-I283 HydrophobicContact CE1-CD1 3.63Å; F224-I283 HydrophobicContact CE1-CG1 4.34Å; F224-I283 HydrophobicContact CZ-CD1 4.02Å; M259-I283 HydrophobicContact CE-CD1 3.88Å; M259-I283 HydrophobicContact CG-CD1 3.87Å; M259-I283 HydrophobicContact SD-CD1 3.83Å; A279-I283 HydrophobicContact CB-CD1 4.4Å; A279-I283 WeakPolarHBondContact O-CG1 3.26Å; A279-I283 PolarHBondContact O-N 2.93Å; I283-T285 VanDerWaalsContact C-N 3.27Å; I283-T285 PolarHBondContact O-N 2.95Å
284	G	62.1	Low	72.9	Confident	58 Å²	58	84.8 Å²	84.8	60%	0.598	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-68.1	-18.7	178.7	0	0	0	0	0	115.3	R280	R280-G284 PolarHBondContact O-N 3.44Å
285	T	54.5	Low	71.4	Confident	100 Å²	100	85.5 Å²	85.5	61%	0.613	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-86.2	-8.2	-177	33.2	0	0	0	0	114.5	L281 H282 I283	L281-T285 PolarHBondContact O-OG1 3.06Å; L281-T285 VanDerWaalsContact O-OG1 3.05Å; H282-T285 WeakPolarHBondContact CA-OG1 3.44Å; H282-T285 PolarHBondContact O-OG1 3.3Å; H282-T285 VanDerWaalsContact O-OG1 3.11Å; I283-T285 VanDerWaalsContact C-N 3.27Å; I283-T285 PolarHBondContact O-N 2.95Å
286	K	49.3	Very low	69.6	Low	190 Å²	190	91.2 Å²	91.2	83%	0.826	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-90.1	-2	178.1	-71.2	-172.5	178.3	179.7	0	115
287	S	39.8	Very low	67.7	Low	105 Å²	105	97.6 Å²	97.6	73%	0.734	57%	0.565	S	S	*	*	S	Bend	trans	-105	38.1	-176.9	-154.7	0	0	0	0	114.3
288	T	35.6	Very low	65.6	Low	131 Å²	131	95.5 Å²	95.5	80%	0.804	56%	0.563	S	S	*	*			trans	-145.4	70.6	166.1	32.7	0	0	0	0	110.7
289	A	33.2	Very low	63.2	Low	100 Å²	100	101.8 Å²	101.8	83%	0.826	60%	0.603	S	S	*	*			trans	-134.2	102.8	153.8	0	0	0	0	0	106.8
290	V	34.4	Very low	60.2	Low	217 Å²	217	111.1 Å²	111.1	100%	1.315	66%	0.658	S	S	*	*			trans	-73.4	0	170.1	175.3	0	0	0	0	109.1

Retrieved 290 of 290 residues in 1034.5 ms (Link to these results)

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