A0A087YNY0_POEFO Loading...

Uronyl 2-sulfotransferase

AlphaFold DB , UniProt , Accession A0A087YNY0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 406 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	35.6	Very low	32.2	Very low	227 Å²	227	148.1 Å²	148.1	100%	1.118	80%	0.802	S	S	*	*				0	108.4	0	-75.8	147.7	160.6	0	0	106.8
2	M	32.5	Very low	31.7	Very low	162 Å²	162	146.5 Å²	146.5	80%	0.798	79%	0.793	S	S	*	*				68.9	126.9	85.8	-69.7	173.2	77.5	0	0	112.6
3	K	32.4	Very low	31.4	Very low	192 Å²	192	141.8 Å²	141.8	84%	0.835	78%	0.778	S	S	*	*			cis	-160.6	162.1	-10.7	-130.3	175.2	-177	-177.6	0	109.4
4	N	30.6	Very low	31.2	Very low	133 Å²	133	141.1 Å²	141.1	71%	0.711	77%	0.773	S	S	*	*			trans	-85.3	-179.4	-173.2	-82.5	-15.3	0	0	0	115.4
5	F	33.7	Very low	31.2	Very low	206 Å²	206	139.8 Å²	139.8	90%	0.904	77%	0.765	S	S	*	*			trans	89.4	144.5	158.4	-52.2	-76.6	0	0	0	116.7
6	G	28.5	Very low	31.2	Very low	61 Å²	61	140.8 Å²	140.8	63%	0.629	76%	0.762	S	S	*	*			cis	146.9	135.8	-5.5	0	0	0	0	0	113.5
7	S	29	Very low	31	Very low	113 Å²	113	143.7 Å²	143.7	79%	0.79	77%	0.769	S	S	*	*			trans	56.3	113.9	161.3	52.9	0	0	0	0	121.8
8	S	27.7	Very low	31	Very low	115 Å²	115	143.3 Å²	143.3	80%	0.804	77%	0.773	S	S	*	*				45.1	164.8	110.9	-51.1	0	0	0	0	122.5
9	P	45.9	Very low	31.4	Very low	110 Å²	110	142.3 Å²	142.3	71%	0.714	78%	0.775	S	S	*	*			cis	-140.6	-170.4	-24.9	28.2	-3.4	0	0	0	115.1
10	L	28.8	Very low	31.4	Very low	145 Å²	145	142.2 Å²	142.2	76%	0.759	77%	0.774	S	S	*	*			trans	120.7	121.2	142.8	-68	162.1	0	0	0	119.5
11	H	29	Very low	31.4	Very low	165 Å²	165	143 Å²	143	76%	0.764	77%	0.772	S	S	*	*			trans	45.2	147	148.2	-83.2	-87.5	0	0	0	121.2
12	N	26.6	Very low	31.2	Very low	129 Å²	129	139.4 Å²	139.4	69%	0.69	76%	0.755	S	S	*	*			cis	-160.2	163.8	23.4	-154.3	13.9	0	0	0	114
13	S	27.8	Very low	31	Very low	85 Å²	85	142.1 Å²	142.1	59%	0.594	76%	0.757	S	S	*	*			trans	50.8	128.3	152.3	-101.9	0	0	0	0	120.5
14	N	29.2	Very low	30.9	Very low	133 Å²	133	139.1 Å²	139.1	71%	0.711	75%	0.746	S	S	*	*				-175.1	154.1	52.4	-100.3	-23.1	0	0	0	112.2
15	N	30.1	Very low	30.9	Very low	121 Å²	121	144.9 Å²	144.9	65%	0.647	76%	0.758	S	S	*	*			trans	43.3	141	146.2	-67.1	-6.5	0	0	0	121.7
16	H	31.8	Very low	30.8	Very low	155 Å²	155	142.3 Å²	142.3	72%	0.718	75%	0.748	S	S	*	*			cis	-152.1	138.8	2.9	-102.4	-49	0	0	0	109.6
17	Q	27.8	Very low	30.9	Very low	191 Å²	191	148.7 Å²	148.7	89%	0.893	76%	0.761	S	S	*	*			trans	-142.6	135.6	155.3	-86.1	-173.1	-15.4	0	0	108.2
18	T	31.6	Very low	31	Very low	136 Å²	136	153 Å²	153	83%	0.834	76%	0.76	S	S	*	*			trans	-141.5	152.8	166	40.8	0	0	0	0	111
19	P	38.9	Very low	31.2	Very low	125 Å²	125	157.5 Å²	157.5	81%	0.812	77%	0.765	S	S	*	*			trans	-123.8	-176.4	-156.6	33.7	-13.3	0	0	0	114.4
20	N	29.8	Very low	30.5	Very low	140 Å²	140	160.4 Å²	160.4	75%	0.749	77%	0.769	S	S	*	*			trans	-57.6	138.5	168.8	-65.2	-35.7	0	0	0	112.5
21	H	31.5	Very low	30.6	Very low	160 Å²	160	156.7 Å²	156.7	74%	0.741	77%	0.766	S	S	*	*				170.8	131.9	106.3	-97.8	-77.7	0	0	0	114.4
22	I	33	Very low	31	Very low	150 Å²	150	156.8 Å²	156.8	77%	0.769	77%	0.771	S	S	*	*			trans	18.1	120.6	138.1	-52.4	173	0	0	0	118.1
23	R	28.3	Very low	31.4	Very low	219 Å²	219	158.8 Å²	158.8	83%	0.826	78%	0.781	S	S	*	*			trans	-157.4	140.7	131.5	-156.3	163	173.5	176.7	-3.5	115.9
24	E	29.2	Very low	31.9	Very low	129 Å²	129	160.4 Å²	160.4	60%	0.603	79%	0.791	S	S	*	*			trans	-18.3	150	167	-49.5	165.5	107.9	0	0	120.8
25	R	29.9	Very low	32.5	Very low	254 Å²	254	158.4 Å²	158.4	96%	0.958	79%	0.793	S	S	*	*				-152.5	143.1	121.5	-114.5	174.9	-169.8	-174.8	3.5	114.1
26	H	31.5	Very low	33.1	Very low	152 Å²	152	159.3 Å²	159.3	70%	0.704	80%	0.797	S	S	*	*			trans	-65.7	155.7	-179.6	-92.9	-106	0	0	0	114.6
27	H	31.7	Very low	33.7	Very low	196 Å²	196	157 Å²	157	91%	0.907	80%	0.796	S	S	*	*				-149.9	130.8	124	-115.6	-75	0	0	0	113.6
28	R	31.9	Very low	34.4	Very low	202 Å²	202	157.7 Å²	157.7	76%	0.762	79%	0.79	S	S	*	*			trans	-70.3	148	171	-90.7	172	160.9	163.1	-7.7	111.2
29	K	31.5	Very low	35.4	Very low	211 Å²	211	162.6 Å²	162.6	92%	0.917	79%	0.794	S	S	*	*			trans	-153.1	145.5	134	-109.8	171.2	-172.2	-178	0	111.1
30	H	31.3	Very low	36.1	Very low	171 Å²	171	162.6 Å²	162.6	79%	0.792	78%	0.781	S	S	*	*			trans	-84	150.2	-173.3	-84.2	-102.5	0	0	0	112.8
31	G	31.1	Very low	37.6	Very low	67 Å²	67	159.6 Å²	159.6	69%	0.691	77%	0.771	S	S	*	*			trans	71	101	131.5	0	0	0	0	0	118.4
32	L	36.2	Very low	39.2	Very low	166 Å²	166	159.5 Å²	159.5	87%	0.869	78%	0.775	S	S	*	*			trans	-156.8	116.1	130.5	-110.9	143.3	0	0	0	109.4	C34	L32-C34 PolarHBondContact O-N 3.4Å; L32-C34 VanDerWaalsContact O-N 3.08Å
33	L	36.1	Very low	41	Very low	172 Å²	172	162.8 Å²	162.8	90%	0.901	78%	0.778	S	S	*	*			trans	-65.6	103.6	170	-78.7	150.1	0	0	0	107.8	A35	L33-A35 PolarHBondContact O-N 3.02Å
34	C	37.1	Very low	43.2	Very low	119 Å²	119	154.3 Å²	154.3	80%	0.804	76%	0.758	S	S	*	*			trans	-68.9	85.5	166	-80	0	0	0	0	109.1	L32 L36	L32-C34 PolarHBondContact O-N 3.4Å; L32-C34 VanDerWaalsContact O-N 3.08Å; C34-L36 PolarHBondContact O-N 3.43Å
35	A	43.2	Very low	45.6	Very low	91 Å²	91	154.5 Å²	154.5	75%	0.752	76%	0.755	S	S	*	*			trans	-65.3	84	165.7	0	0	0	0	0	109	L33 P37	L33-A35 PolarHBondContact O-N 3.02Å; A35-P37 VanDerWaalsContact O-CD 3.24Å; A35-P37 WeakPolarHBondContact O-CD 3.5Å
36	L	41.6	Very low	48.1	Very low	139 Å²	139	144.1 Å²	144.1	73%	0.728	73%	0.727	S	S	*	*			trans	-61.5	116.4	162.5	-80.1	160.4	0	0	0	107.3	C34 W38	C34-L36 PolarHBondContact O-N 3.43Å; L36-W38 PolarHBondContact O-N 2.83Å
37	P	44.8	Very low	50.6	Low	108 Å²	108	144.7 Å²	144.7	70%	0.701	73%	0.727	S	S	*	*			trans	-72.6	90.7	172.1	30.5	-31.8	0	0	0	107.3	A35 R39	A35-P37 VanDerWaalsContact O-CD 3.24Å; A35-P37 WeakPolarHBondContact O-CD 3.5Å; P37-R39 PolarHBondContact O-N 2.8Å
38	W	42.9	Very low	53	Low	205 Å²	205	138.7 Å²	138.7	78%	0.777	71%	0.707	S	S	*	*			trans	-60.3	82.8	164.4	-102.2	22.7	0	0	0	108.4	L36 F40	L36-W38 PolarHBondContact O-N 2.83Å; W38-F40 HydrophobicContact CB-CD2 4.03Å; W38-F40 HydrophobicContact CB-CE2 4.45Å; W38-F40 AromaticContact CD2-CD2 3.89Å; W38-F40 HydrophobicContact CD2-CD2 3.89Å; W38-F40 AromaticContact CD2-CE2 3.42Å; W38-F40 HydrophobicContact CD2-CE2 3.42Å; W38-F40 VanDerWaalsContact CD2-CE2 3.42Å; W38-F40 HydrophobicContact CD2-CZ 4.48Å; W38-F40 AromaticContact CE2-CE2 3.89Å; W38-F40 AromaticContact CE3-CD2 3.72Å; W38-F40 HydrophobicContact CE3-CD2 3.72Å; W38-F40 AromaticContact CE3-CE2 3.25Å; W38-F40 HydrophobicContact CE3-CE2 3.25Å; W38-F40 HydrophobicContact CE3-CZ 4.06Å; W38-F40 HydrophobicContact CG-CD2 4.07Å; W38-F40 AromaticContact CG-CE2 3.99Å; W38-F40 HydrophobicContact CG-CE2 3.99Å; W38-F40 HydrophobicContact CH2-CE2 4.02Å; W38-F40 HydrophobicContact CH2-CZ 4.21Å; W38-F40 HydrophobicContact CZ2-CE2 4.18Å; W38-F40 HydrophobicContact CZ3-CD2 4.39Å; W38-F40 AromaticContact CZ3-CE2 3.57Å; W38-F40 HydrophobicContact CZ3-CE2 3.57Å; W38-F40 AromaticContact CZ3-CZ 3.91Å; W38-F40 HydrophobicContact CZ3-CZ 3.91Å; W38-F40 PolarHBondContact O-N 3.04Å
39	R	52.3	Low	55.7	Low	239 Å²	239	133.3 Å²	133.3	90%	0.902	69%	0.691	S	S	*	*			trans	-69.6	64.6	164.8	-75	-169.4	174.1	-163.5	0	108.8	P37 S41	P37-R39 PolarHBondContact O-N 2.8Å; R39-S41 PolarHBondContact O-N 3Å; R39-S41 VanDerWaalsContact O-N 3.08Å
40	F	53.3	Low	58.3	Low	124 Å²	124	125.6 Å²	125.6	54%	0.544	67%	0.667	S	S	.	*			trans	-59	113.6	158.1	-92.4	-109.6	0	0	0	106.4	W38 L42	W38-F40 HydrophobicContact CB-CD2 4.03Å; W38-F40 HydrophobicContact CB-CE2 4.45Å; W38-F40 AromaticContact CD2-CD2 3.89Å; W38-F40 HydrophobicContact CD2-CD2 3.89Å; W38-F40 AromaticContact CD2-CE2 3.42Å; W38-F40 HydrophobicContact CD2-CE2 3.42Å; W38-F40 VanDerWaalsContact CD2-CE2 3.42Å; W38-F40 HydrophobicContact CD2-CZ 4.48Å; W38-F40 AromaticContact CE2-CE2 3.89Å; W38-F40 AromaticContact CE3-CD2 3.72Å; W38-F40 HydrophobicContact CE3-CD2 3.72Å; W38-F40 AromaticContact CE3-CE2 3.25Å; W38-F40 HydrophobicContact CE3-CE2 3.25Å; W38-F40 HydrophobicContact CE3-CZ 4.06Å; W38-F40 HydrophobicContact CG-CD2 4.07Å; W38-F40 AromaticContact CG-CE2 3.99Å; W38-F40 HydrophobicContact CG-CE2 3.99Å; W38-F40 HydrophobicContact CH2-CE2 4.02Å; W38-F40 HydrophobicContact CH2-CZ 4.21Å; W38-F40 HydrophobicContact CZ2-CE2 4.18Å; W38-F40 HydrophobicContact CZ3-CD2 4.39Å; W38-F40 AromaticContact CZ3-CE2 3.57Å; W38-F40 HydrophobicContact CZ3-CE2 3.57Å; W38-F40 AromaticContact CZ3-CZ 3.91Å; W38-F40 HydrophobicContact CZ3-CZ 3.91Å; W38-F40 PolarHBondContact O-N 3.04Å; F40-L42 PolarHBondContact O-N 3.46Å
41	S	61.3	Low	60.9	Low	77 Å²	77	119.8 Å²	119.8	54%	0.538	65%	0.648	S	S	.	*			trans	-53.6	125.1	170.3	175.5	0	0	0	0	107.8	R39 R43 G44 Y45	R39-S41 PolarHBondContact O-N 3Å; R39-S41 VanDerWaalsContact O-N 3.08Å; S41-R43 PolarHBondContact O-N 3.17Å; S41-R43 WeakPolarHBondContact OG-CB 3.22Å; S41-R43 PolarHBondContact OG-N 3.08Å; S41-G44 WeakPolarHBondContact O-CA 3.42Å; S41-G44 PolarHBondContact O-N 3.05Å; S41-Y45 PolarHBondContact O-N 3.34Å
42	L	65.8	Low	63.6	Low	158 Å²	158	120.9 Å²	120.9	83%	0.827	64%	0.638	S	S	*	*	H	α-helix	trans	-51.4	-29.7	175.8	-93.7	115.2	0	0	0	111.6	F40 G46	F40-L42 PolarHBondContact O-N 3.46Å; L42-G46 PolarHBondContact O-N 2.92Å
43	R	71	Confident	66.2	Low	219 Å²	219	119.4 Å²	119.4	83%	0.826	63%	0.625	S	S	*	*	H	α-helix	trans	-67.6	-36.6	174.9	-164.5	172.3	178.6	164.4	-0.9	113.1	S41 F47	S41-R43 PolarHBondContact O-N 3.17Å; S41-R43 WeakPolarHBondContact OG-CB 3.22Å; S41-R43 PolarHBondContact OG-N 3.08Å; R43-F47 WeakPolarHBondContact O-CB 3.42Å; R43-F47 PolarHBondContact O-N 3.31Å
44	G	73.4	Confident	68.6	Low	41 Å²	41	117 Å²	117	42%	0.423	61%	0.612	S	S	.	*	H	α-helix	trans	-75.1	-40.7	175.1	0	0	0	0	0	112.8	S41 F47 C48	S41-G44 WeakPolarHBondContact O-CA 3.42Å; S41-G44 PolarHBondContact O-N 3.05Å; G44-F47 PolarHBondContact O-N 3.45Å; G44-C48 WeakPolarHBondContact O-CB 3.18Å; G44-C48 PolarHBondContact O-N 2.9Å
45	Y	79.3	Confident	70.9	Confident	134 Å²	134	118.7 Å²	118.7	53%	0.525	61%	0.606	S	S	.	*	H	α-helix	trans	-62.8	-45.4	171.2	-177.9	-103.8	0	0	0	111.2	S41 F47 C48 M49	S41-Y45 PolarHBondContact O-N 3.34Å; Y45-F47 PolarHBondContact O-N 3.43Å; Y45-C48 PolarHBondContact O-N 2.81Å; Y45-M49 HydrophobicContact CD1-CG 4.03Å; Y45-M49 HydrophobicContact CD2-CG 4.23Å; Y45-M49 HydrophobicContact CE1-CG 3.65Å; Y45-M49 HydrophobicContact CE1-SD 4.49Å; Y45-M49 HydrophobicContact CE2-CG 3.87Å; Y45-M49 HydrophobicContact CE2-SD 4.02Å; Y45-M49 HydrophobicContact CG-CG 4.32Å; Y45-M49 WeakPolarHBondContact O-CB 3.32Å; Y45-M49 VanDerWaalsContact O-CG 3.31Å; Y45-M49 WeakPolarHBondContact O-CG 3.46Å; Y45-M49 PolarHBondContact O-N 3.4Å
46	G	82.4	Confident	72.9	Confident	36 Å²	36	118.1 Å²	118.1	37%	0.371	60%	0.596	S	S	.	*	H	α-helix	trans	-58.8	-42.5	174.7	0	0	0	0	0	113.1	L42 A50	L42-G46 PolarHBondContact O-N 2.92Å; G46-A50 WeakPolarHBondContact O-CB 3.29Å; G46-A50 PolarHBondContact O-N 2.88Å
47	F	84.6	Confident	74.9	Confident	164 Å²	164	116.8 Å²	116.8	72%	0.719	58%	0.584	S	S	*	*	H	α-helix	trans	-65.2	-41.4	175.7	-163.5	-91.7	0	0	0	112.3	R43 G44 Y45 A50 A51	R43-F47 WeakPolarHBondContact O-CB 3.42Å; R43-F47 PolarHBondContact O-N 3.31Å; G44-F47 PolarHBondContact O-N 3.45Å; Y45-F47 PolarHBondContact O-N 3.43Å; F47-A50 PolarHBondContact O-N 3.33Å; F47-A51 WeakPolarHBondContact O-CB 3.37Å; F47-A51 PolarHBondContact O-N 3.35Å
48	C	81.6	Confident	76.6	Confident	70 Å²	70	113.6 Å²	113.6	47%	0.473	57%	0.57	S	S	.	*	H	α-helix	trans	-65.2	-45.2	176.9	-165.9	0	0	0	0	112	G44 Y45 A51 L52	G44-C48 WeakPolarHBondContact O-CB 3.18Å; G44-C48 PolarHBondContact O-N 2.9Å; Y45-C48 PolarHBondContact O-N 2.81Å; C48-A51 PolarHBondContact O-N 2.86Å; C48-L52 WeakPolarHBondContact O-CB 3.44Å; C48-L52 WeakPolarHBondContact O-CG 3.31Å; C48-L52 PolarHBondContact O-N 2.88Å
49	M	89.2	Confident	78.2	Confident	88 Å²	88	106.2 Å²	106.2	43%	0.433	55%	0.55	S	S	.	*	H	α-helix	trans	-67.7	-34.9	177.1	-66	-62.3	-77.1	0	0	112.3	Y45 L52 F53	Y45-M49 HydrophobicContact CD1-CG 4.03Å; Y45-M49 HydrophobicContact CD2-CG 4.23Å; Y45-M49 HydrophobicContact CE1-CG 3.65Å; Y45-M49 HydrophobicContact CE1-SD 4.49Å; Y45-M49 HydrophobicContact CE2-CG 3.87Å; Y45-M49 HydrophobicContact CE2-SD 4.02Å; Y45-M49 HydrophobicContact CG-CG 4.32Å; Y45-M49 WeakPolarHBondContact O-CB 3.32Å; Y45-M49 VanDerWaalsContact O-CG 3.31Å; Y45-M49 WeakPolarHBondContact O-CG 3.46Å; Y45-M49 PolarHBondContact O-N 3.4Å; M49-L52 HydrophobicContact SD-CD1 4.25Å; M49-F53 VanDerWaalsContact O-CB 3.29Å; M49-F53 WeakPolarHBondContact O-CB 3.47Å; M49-F53 PolarHBondContact O-N 3.46Å
50	A	86.6	Confident	79.6	Confident	49 Å²	49	98.8 Å²	98.8	41%	0.405	53%	0.528	S	S	.	.	H	α-helix	trans	-67.1	-42.1	172.7	0	0	0	0	0	112	G46 F47 F53 L54	G46-A50 WeakPolarHBondContact O-CB 3.29Å; G46-A50 PolarHBondContact O-N 2.88Å; F47-A50 PolarHBondContact O-N 3.33Å; A50-F53 PolarHBondContact O-N 2.93Å; A50-L54 WeakPolarHBondContact O-CB 3.24Å; A50-L54 WeakPolarHBondContact O-CG 3.36Å; A50-L54 PolarHBondContact O-N 2.86Å
51	A	86	Confident	80.6	Confident	49 Å²	49	95.1 Å²	95.1	41%	0.405	52%	0.517	S	S	.	.	H	α-helix	trans	-64.3	-43	175	0	0	0	0	0	112	F47 C48 L54 F55	F47-A51 WeakPolarHBondContact O-CB 3.37Å; F47-A51 PolarHBondContact O-N 3.35Å; C48-A51 PolarHBondContact O-N 2.86Å; A51-L54 PolarHBondContact O-N 2.8Å; A51-F55 WeakPolarHBondContact O-CB 3.39Å; A51-F55 PolarHBondContact O-N 2.73Å
52	L	87.8	Confident	81.2	Confident	90 Å²	90	97.6 Å²	97.6	47%	0.471	52%	0.516	S	S	.	.	H	α-helix	trans	-61.7	-43.9	172.8	-78.9	167.3	0	0	0	111.8	C48 M49 F55 C56	C48-L52 WeakPolarHBondContact O-CB 3.44Å; C48-L52 WeakPolarHBondContact O-CG 3.31Å; C48-L52 PolarHBondContact O-N 2.88Å; M49-L52 HydrophobicContact SD-CD1 4.25Å; L52-F55 PolarHBondContact O-N 2.83Å; L52-C56 WeakPolarHBondContact O-CB 3.32Å; L52-C56 PolarHBondContact O-N 2.89Å; L52-C56 PolarHBondContact O-SG 3.17Å
53	F	89.9	Confident	81.5	Confident	136 Å²	136	96.5 Å²	96.5	60%	0.596	51%	0.506	S	S	*	.	H	α-helix	trans	-62.1	-45.8	176.9	-177.3	-95.5	0	0	0	111.7	M49 A50 F55 C56 F57	M49-F53 VanDerWaalsContact O-CB 3.29Å; M49-F53 WeakPolarHBondContact O-CB 3.47Å; M49-F53 PolarHBondContact O-N 3.46Å; A50-F53 PolarHBondContact O-N 2.93Å; F53-F55 VanDerWaalsContact C-N 3.33Å; F53-F55 PolarHBondContact O-N 2.85Å; F53-C56 PolarHBondContact O-N 2.99Å; F53-F57 WeakPolarHBondContact O-CB 3.37Å; F53-F57 PolarHBondContact O-N 3.22Å
54	L	87.3	Confident	81.7	Confident	120 Å²	120	92.6 Å²	92.6	63%	0.628	50%	0.501	S	S	*	.	H	α-helix	trans	-62.7	-38.4	176	-72.8	169.9	0	0	0	112.3	A50 A51 G58	A50-L54 WeakPolarHBondContact O-CB 3.24Å; A50-L54 WeakPolarHBondContact O-CG 3.36Å; A50-L54 PolarHBondContact O-N 2.86Å; A51-L54 PolarHBondContact O-N 2.8Å; L54-G58 PolarHBondContact O-N 3.08Å
55	F	85.2	Confident	81.5	Confident	156 Å²	156	97 Å²	97	68%	0.684	52%	0.515	S	S	*	.	H	α-helix	trans	-68	-46.1	176.1	-173.4	-95.7	0	0	0	112.1	A51 L52 F53 G58 S59	A51-F55 WeakPolarHBondContact O-CB 3.39Å; A51-F55 PolarHBondContact O-N 2.73Å; L52-F55 PolarHBondContact O-N 2.83Å; F53-F55 VanDerWaalsContact C-N 3.33Å; F53-F55 PolarHBondContact O-N 2.85Å; F55-G58 PolarHBondContact O-N 3.2Å; F55-S59 WeakPolarHBondContact O-CB 3.45Å; F55-S59 PolarHBondContact O-N 3.21Å
56	C	84.9	Confident	81	Confident	78 Å²	78	94.1 Å²	94.1	53%	0.527	53%	0.526	S	S	.	.	H	α-helix	trans	-64	-41.1	175.9	-70.9	0	0	0	0	112	L52 F53 S59 L60	L52-C56 WeakPolarHBondContact O-CB 3.32Å; L52-C56 PolarHBondContact O-N 2.89Å; L52-C56 PolarHBondContact O-SG 3.17Å; F53-C56 PolarHBondContact O-N 2.99Å; C56-S59 PolarHBondContact O-N 3.01Å; C56-L60 WeakPolarHBondContact O-CB 3.46Å; C56-L60 PolarHBondContact O-N 2.99Å
57	F	84.3	Confident	80.3	Confident	112 Å²	112	93.3 Å²	93.3	49%	0.491	52%	0.518	S	S	.	.	H	α-helix	trans	-67.4	-42.7	176.5	-170.2	-100.4	0	0	0	111.4	F53 S59 L60 C61	F53-F57 WeakPolarHBondContact O-CB 3.37Å; F53-F57 PolarHBondContact O-N 3.22Å; F57-S59 VanDerWaalsContact C-N 3.34Å; F57-S59 PolarHBondContact O-N 3.38Å; F57-L60 PolarHBondContact O-N 2.79Å; F57-C61 WeakPolarHBondContact O-CB 3.21Å; F57-C61 PolarHBondContact O-N 3.23Å; F57-C61 PolarHBondContact O-SG 2.87Å; F57-C61 VanDerWaalsContact O-SG 3.34Å
58	G	79.6	Confident	79.6	Confident	40 Å²	40	87.1 Å²	87.1	41%	0.412	50%	0.497	S	S	.	.	H	α-helix	trans	-60.5	-40.9	172.6	0	0	0	0	0	112.9	L54 F55 C61 Y62	L54-G58 PolarHBondContact O-N 3.08Å; F55-G58 PolarHBondContact O-N 3.2Å; G58-C61 PolarHBondContact O-N 3.04Å; G58-Y62 WeakPolarHBondContact O-CB 3.47Å; G58-Y62 PolarHBondContact O-N 3.22Å
59	S	76.9	Confident	79	Confident	50 Å²	50	87.5 Å²	87.5	35%	0.35	50%	0.499	S	S	.	.	H	α-helix	trans	-64.9	-42.1	174.2	-171.2	0	0	0	0	112.2	F55 C56 F57 Y62 Q63	F55-S59 WeakPolarHBondContact O-CB 3.45Å; F55-S59 PolarHBondContact O-N 3.21Å; C56-S59 PolarHBondContact O-N 3.01Å; F57-S59 VanDerWaalsContact C-N 3.34Å; F57-S59 PolarHBondContact O-N 3.38Å; S59-Y62 WeakPolarHBondContact O-CB 3.39Å; S59-Y62 PolarHBondContact O-N 2.89Å; S59-Q63 WeakPolarHBondContact O-CG 3.49Å; S59-Q63 PolarHBondContact O-N 3.42Å
60	L	80.6	Confident	77.8	Confident	84 Å²	84	93.2 Å²	93.2	44%	0.44	52%	0.515	S	S	.	.	H	α-helix	trans	-63.6	-43.3	174.8	-175.3	66	0	0	0	111.5	C56 F57 Y62 Q63 L64	C56-L60 WeakPolarHBondContact O-CB 3.46Å; C56-L60 PolarHBondContact O-N 2.99Å; F57-L60 PolarHBondContact O-N 2.79Å; L60-Y62 VanDerWaalsContact C-N 3.33Å; L60-Y62 PolarHBondContact O-N 3.47Å; L60-Q63 PolarHBondContact O-N 3.38Å; L60-L64 HydrophobicContact CD1-CD1 4.15Å; L60-L64 HydrophobicContact CD1-CG 4.32Å; L60-L64 HydrophobicContact CG-CD1 3.92Å; L60-L64 HydrophobicContact CG-CG 4.45Å; L60-L64 WeakPolarHBondContact O-CB 3.31Å; L60-L64 VanDerWaalsContact O-CG 3.31Å; L60-L64 WeakPolarHBondContact O-CG 3.39Å; L60-L64 PolarHBondContact O-N 3.15Å
61	C	74.7	Confident	77.1	Confident	46 Å²	46	96.8 Å²	96.8	31%	0.311	53%	0.527	S	S	.	.	H	α-helix	trans	-63.5	-36.3	173.4	-70.2	0	0	0	0	112.4	F57 G58 N65	F57-C61 WeakPolarHBondContact O-CB 3.21Å; F57-C61 PolarHBondContact O-N 3.23Å; F57-C61 PolarHBondContact O-SG 2.87Å; F57-C61 VanDerWaalsContact O-SG 3.34Å; G58-C61 PolarHBondContact O-N 3.04Å; C61-N65 VanDerWaalsContact O-CB 3.32Å; C61-N65 WeakPolarHBondContact O-CB 3.42Å; C61-N65 PolarHBondContact O-N 2.87Å; C61-N65 VanDerWaalsContact O-N 3.08Å; C61-N65 PolarHBondContact O-ND2 2.9Å
62	Y	73.3	Confident	76.1	Confident	129 Å²	129	99.2 Å²	99.2	51%	0.506	53%	0.532	S	S	.	.	H	α-helix	trans	-64.8	-43.9	174.6	-178.8	-86.1	0	0	0	111.7	G58 S59 L60 G66 G67 A68	G58-Y62 WeakPolarHBondContact O-CB 3.47Å; G58-Y62 PolarHBondContact O-N 3.22Å; S59-Y62 WeakPolarHBondContact O-CB 3.39Å; S59-Y62 PolarHBondContact O-N 2.89Å; L60-Y62 VanDerWaalsContact C-N 3.33Å; L60-Y62 PolarHBondContact O-N 3.47Å; Y62-G66 PolarHBondContact O-N 3.33Å; Y62-G67 WeakPolarHBondContact CD2-O 3.37Å; Y62-G67 VanDerWaalsContact CE2-C 3.49Å; Y62-G67 PolarHBondContact O-N 2.88Å; Y62-G67 VanDerWaalsContact O-N 3.07Å; Y62-A68 HydrophobicContact CE2-CB 3.94Å; Y62-A68 VanDerWaalsContact CE2-N 3.32Å
63	Q	73.2	Confident	75	Confident	136 Å²	136	99.2 Å²	99.2	64%	0.636	53%	0.532	S	S	*	.	H	α-helix	trans	-67.7	-43.4	178	-71.9	174.9	-13.7	0	0	112.5	S59 L60 G66	S59-Q63 WeakPolarHBondContact O-CG 3.49Å; S59-Q63 PolarHBondContact O-N 3.42Å; L60-Q63 PolarHBondContact O-N 3.38Å; Q63-G66 PolarHBondContact O-N 3.46Å
64	L	75.3	Confident	73.9	Confident	136 Å²	136	96.6 Å²	96.6	71%	0.712	52%	0.524	S	S	*	.	H	α-helix	trans	-72.6	-30.7	-179.1	-70.2	174	0	0	0	113.6	L60 G66	L60-L64 HydrophobicContact CD1-CD1 4.15Å; L60-L64 HydrophobicContact CD1-CG 4.32Å; L60-L64 HydrophobicContact CG-CD1 3.92Å; L60-L64 HydrophobicContact CG-CG 4.45Å; L60-L64 WeakPolarHBondContact O-CB 3.31Å; L60-L64 VanDerWaalsContact O-CG 3.31Å; L60-L64 WeakPolarHBondContact O-CG 3.39Å; L60-L64 PolarHBondContact O-N 3.15Å; L64-G66 VanDerWaalsContact C-N 3.33Å
65	N	67.9	Low	72.8	Confident	133 Å²	133	94.7 Å²	94.7	71%	0.711	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	6	177.2	-67.1	-62.5	0	0	0	113.7	C61 G67	C61-N65 VanDerWaalsContact O-CB 3.32Å; C61-N65 WeakPolarHBondContact O-CB 3.42Å; C61-N65 PolarHBondContact O-N 2.87Å; C61-N65 VanDerWaalsContact O-N 3.08Å; C61-N65 PolarHBondContact O-ND2 2.9Å; N65-G67 VanDerWaalsContact C-N 3.3Å; N65-G67 PolarHBondContact O-N 3.4Å
66	G	70.4	Confident	71.4	Confident	75 Å²	75	93.5 Å²	93.5	77%	0.773	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	18.1	176.1	0	0	0	0	0	115.4	Y62 Q63 L64	Y62-G66 PolarHBondContact O-N 3.33Å; Q63-G66 PolarHBondContact O-N 3.46Å; L64-G66 VanDerWaalsContact C-N 3.33Å
67	G	66.9	Low	70.1	Confident	19 Å²	19	97.4 Å²	97.4	20%	0.196	52%	0.515	C	S	.	.	S	Bend	trans	149.2	-165	178.5	0	0	0	0	0	114.9	Y62 N65	Y62-G67 WeakPolarHBondContact CD2-O 3.37Å; Y62-G67 VanDerWaalsContact CE2-C 3.49Å; Y62-G67 PolarHBondContact O-N 2.88Å; Y62-G67 VanDerWaalsContact O-N 3.07Å; N65-G67 VanDerWaalsContact C-N 3.3Å; N65-G67 PolarHBondContact O-N 3.4Å
68	A	69.2	Low	68.9	Low	33 Å²	33	102.2 Å²	102.2	27%	0.273	53%	0.532	S	S	.	.			trans	-69.8	139.2	-177.7	0	0	0	0	0	112.1	Y62 L72 L73	Y62-A68 HydrophobicContact CE2-CB 3.94Å; Y62-A68 VanDerWaalsContact CE2-N 3.32Å; A68-L72 HydrophobicContact CB-CB 4.36Å; A68-L73 HydrophobicContact CB-CD2 4.22Å; A68-L73 HydrophobicContact CB-CG 4.4Å
69	P	69.5	Low	68	Low	79 Å²	79	107 Å²	107	51%	0.513	55%	0.547	S	S	.	.			trans	-59.3	144.7	171.5	24.5	-34.2	0	0	0	111.3	I71 L72	P69-I71 PolarHBondContact O-N 3.27Å; P69-L72 HydrophobicContact CG-CD1 3.95Å; P69-L72 HydrophobicContact CG-CG 4.17Å; P69-L72 PolarHBondContact O-N 2.89Å
70	R	65.3	Low	66.8	Low	207 Å²	207	106.6 Å²	106.6	78%	0.781	55%	0.55	S	S	*	*	H	α-helix	trans	-49.1	-39.7	-172.1	-69.5	-176	179.2	176.1	-0.7	114.3	L72 L73 D74	R70-L72 PolarHBondContact O-N 3.41Å; R70-L72 VanDerWaalsContact O-N 3.17Å; R70-L73 CarbonylContact O-C 3.57Å; R70-L73 WeakPolarHBondContact O-CA 3.35Å; R70-L73 WeakPolarHBondContact O-CB 3.43Å; R70-L73 PolarHBondContact O-N 2.86Å; R70-D74 VanDerWaalsContact O-CG 3.29Å; R70-D74 PolarHBondContact O-N 2.85Å
71	I	71.8	Confident	65.3	Low	125 Å²	125	110.2 Å²	110.2	64%	0.641	57%	0.565	S	S	*	*	H	α-helix	trans	-54.8	-36.2	177.2	-65	164.6	0	0	0	112.5	P69 I75	P69-I71 PolarHBondContact O-N 3.27Å; I71-I75 HydrophobicContact CG2-CD1 4.01Å; I71-I75 WeakPolarHBondContact O-CB 3.39Å; I71-I75 WeakPolarHBondContact O-CD1 3.44Å; I71-I75 WeakPolarHBondContact O-CG1 3.35Å; I71-I75 PolarHBondContact O-N 2.84Å
72	L	63.8	Low	64	Low	99 Å²	99	112 Å²	112	52%	0.518	58%	0.578	S	S	.	*	H	α-helix	trans	-77.3	-26.6	176.1	-66	-179.4	0	0	0	112.9	A68 P69 R70 I75 R76	A68-L72 HydrophobicContact CB-CB 4.36Å; P69-L72 HydrophobicContact CG-CD1 3.95Å; P69-L72 HydrophobicContact CG-CG 4.17Å; P69-L72 PolarHBondContact O-N 2.89Å; R70-L72 PolarHBondContact O-N 3.41Å; R70-L72 VanDerWaalsContact O-N 3.17Å; L72-I75 HydrophobicContact CD2-CD1 4.46Å; L72-R76 PolarHBondContact O-N 3.44Å; L72-R76 VanDerWaalsContact O-N 3.15Å
73	L	64.1	Low	62.9	Low	90 Å²	90	110.6 Å²	110.6	47%	0.471	58%	0.583	S	S	.	*	H	α-helix	trans	-73.1	-40.8	172	-60.7	174.4	0	0	0	110.8	A68 R70 R76 Q77	A68-L73 HydrophobicContact CB-CD2 4.22Å; A68-L73 HydrophobicContact CB-CG 4.4Å; R70-L73 CarbonylContact O-C 3.57Å; R70-L73 WeakPolarHBondContact O-CA 3.35Å; R70-L73 WeakPolarHBondContact O-CB 3.43Å; R70-L73 PolarHBondContact O-N 2.86Å; L73-R76 WeakPolarHBondContact O-CB 3.41Å; L73-R76 PolarHBondContact O-N 3.38Å; L73-Q77 PolarHBondContact O-N 3.27Å; L73-Q77 VanDerWaalsContact O-N 3.11Å
74	D	67.6	Low	61.7	Low	82 Å²	82	114 Å²	114	44%	0.439	59%	0.592	S	S	.	*	H	α-helix	trans	-64.5	-43.5	175.7	-58.7	-28.2	0	0	0	110.6	R70 R76 Q77 Y78	R70-D74 VanDerWaalsContact O-CG 3.29Å; R70-D74 PolarHBondContact O-N 2.85Å; D74-R76 VanDerWaalsContact C-N 3.31Å; D74-R76 PolarHBondContact O-N 3.29Å; D74-Q77 WeakPolarHBondContact O-CA 3.28Å; D74-Q77 VanDerWaalsContact O-CB 3.28Å; D74-Q77 WeakPolarHBondContact O-CB 3.39Å; D74-Q77 PolarHBondContact O-N 2.84Å; D74-Y78 WeakPolarHBondContact O-CD2 3.35Å; D74-Y78 PolarHBondContact O-N 3.49Å
75	I	65.3	Low	60.4	Low	79 Å²	79	115 Å²	115	41%	0.405	60%	0.597	S	S	.	*	H	α-helix	trans	-61	-38	174	-71.5	165.2	0	0	0	111.7	I71 L72 Q77 Y78 L79	I71-I75 HydrophobicContact CG2-CD1 4.01Å; I71-I75 WeakPolarHBondContact O-CB 3.39Å; I71-I75 WeakPolarHBondContact O-CD1 3.44Å; I71-I75 WeakPolarHBondContact O-CG1 3.35Å; I71-I75 PolarHBondContact O-N 2.84Å; L72-I75 HydrophobicContact CD2-CD1 4.46Å; I75-Q77 PolarHBondContact O-N 3.07Å; I75-Y78 PolarHBondContact O-N 3.11Å; I75-L79 HydrophobicContact CG2-CD1 3.67Å; I75-L79 HydrophobicContact CG2-CG 4.26Å; I75-L79 WeakPolarHBondContact O-CG 3.48Å; I75-L79 PolarHBondContact O-N 3.35Å
76	R	54.8	Low	59.5	Low	131 Å²	131	115.7 Å²	115.7	49%	0.494	60%	0.601	S	S	.	*	H	α-helix	trans	-61.2	-34.2	172.4	174.9	-179.6	171.3	165.7	-1.7	111.8	L72 L73 D74 Y78 L79 G80 E81	L72-R76 PolarHBondContact O-N 3.44Å; L72-R76 VanDerWaalsContact O-N 3.15Å; L73-R76 WeakPolarHBondContact O-CB 3.41Å; L73-R76 PolarHBondContact O-N 3.38Å; D74-R76 VanDerWaalsContact C-N 3.31Å; D74-R76 PolarHBondContact O-N 3.29Å; R76-Y78 VanDerWaalsContact C-N 3.33Å; R76-L79 PolarHBondContact O-N 2.92Å; R76-G80 PolarHBondContact O-N 3.08Å; R76-E81 IonicContact NH2-OE1 2.63Å; R76-E81 PolarHBondContact NH2-OE1 3.28Å
77	Q	57.8	Low	58.4	Low	161 Å²	161	118.7 Å²	118.7	75%	0.752	60%	0.599	S	S	*	*	H	α-helix	trans	-69.4	-30.6	177.6	-154.2	170.2	10.5	0	0	112.5	L73 D74 I75	L73-Q77 PolarHBondContact O-N 3.27Å; L73-Q77 VanDerWaalsContact O-N 3.11Å; D74-Q77 WeakPolarHBondContact O-CA 3.28Å; D74-Q77 VanDerWaalsContact O-CB 3.28Å; D74-Q77 WeakPolarHBondContact O-CB 3.39Å; D74-Q77 PolarHBondContact O-N 2.84Å; I75-Q77 PolarHBondContact O-N 3.07Å
78	Y	59.2	Low	57.8	Low	212 Å²	212	127.1 Å²	127.1	83%	0.831	63%	0.633	S	S	*	*	H	α-helix	trans	-82.6	-27.2	174.3	-79.7	-79.9	0	0	0	114.7	D74 I75 R76	D74-Y78 WeakPolarHBondContact O-CD2 3.35Å; D74-Y78 PolarHBondContact O-N 3.49Å; I75-Y78 PolarHBondContact O-N 3.11Å; R76-Y78 VanDerWaalsContact C-N 3.33Å
79	L	60.7	Low	57.2	Low	142 Å²	142	127.8 Å²	127.8	74%	0.743	64%	0.643	S	S	*	*	H	α-helix	trans	-90.4	-3.9	-179.5	-67.8	175.7	0	0	0	114.2	I75 R76	I75-L79 HydrophobicContact CG2-CD1 3.67Å; I75-L79 HydrophobicContact CG2-CG 4.26Å; I75-L79 WeakPolarHBondContact O-CG 3.48Å; I75-L79 PolarHBondContact O-N 3.35Å; R76-L79 PolarHBondContact O-N 2.92Å
80	G	51.9	Low	56.6	Low	40 Å²	40	129.9 Å²	129.9	41%	0.412	66%	0.656	S	S	.	*			trans	78.4	168.6	-176.4	0	0	0	0	0	113.4	R76 S82	R76-G80 PolarHBondContact O-N 3.08Å; G80-S82 PolarHBondContact O-N 3.39Å
81	E	49.1	Very low	56	Low	161 Å²	161	126 Å²	126	75%	0.752	66%	0.658	S	S	*	*			trans	-69.9	105.2	178.8	-68.3	-137.6	109.9	0	0	111.5	R76 T83	R76-E81 IonicContact NH2-OE1 2.63Å; R76-E81 PolarHBondContact NH2-OE1 3.28Å; E81-T83 PolarHBondContact O-N 3.05Å
82	S	46.3	Very low	55.2	Low	84 Å²	84	124.3 Å²	124.3	59%	0.587	66%	0.662	S	S	*	*			trans	-65.5	117.6	164.9	-179.8	0	0	0	0	109.8	G80 Y84	G80-S82 PolarHBondContact O-N 3.39Å; S82-Y84 PolarHBondContact O-N 3.13Å; S82-Y84 VanDerWaalsContact O-N 3.13Å
83	T	50	Low	54.7	Low	99 Å²	99	128.8 Å²	128.8	61%	0.607	68%	0.681	S	S	*	*			trans	-68.8	-3.3	-179.2	43.2	0	0	0	0	114.4	E81 L85	E81-T83 PolarHBondContact O-N 3.05Å; T83-L85 VanDerWaalsContact C-N 3.29Å; T83-L85 PolarHBondContact O-N 3.09Å; T83-L85 VanDerWaalsContact O-N 3.09Å
84	Y	49.4	Very low	54.3	Low	207 Å²	207	135.9 Å²	135.9	81%	0.812	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	7.8	-164.4	-96	-80.3	0	0	0	117.4	S82	S82-Y84 PolarHBondContact O-N 3.13Å; S82-Y84 VanDerWaalsContact O-N 3.13Å
85	L	47.8	Very low	53.8	Low	158 Å²	158	136.3 Å²	136.3	83%	0.827	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.3	29.2	-171.8	-118.6	155.9	0	0	0	117	T83	T83-L85 VanDerWaalsContact C-N 3.29Å; T83-L85 PolarHBondContact O-N 3.09Å; T83-L85 VanDerWaalsContact O-N 3.09Å
86	N	47.8	Very low	53.6	Low	146 Å²	146	136.4 Å²	136.4	78%	0.781	72%	0.717	S	S	*	*			trans	-148.9	15.4	169.3	-93.6	-31.3	0	0	0	115.7	H88	N86-H88 PolarHBondContact O-N 2.93Å
87	D	48.1	Very low	54.7	Low	138 Å²	138	135.7 Å²	135.7	74%	0.738	73%	0.73	S	S	*	*			trans	-80.2	37.6	-172.3	-92.3	5.8	0	0	0	115.5
88	H	53.3	Low	56	Low	197 Å²	197	131.7 Å²	131.7	91%	0.912	71%	0.71	S	S	*	*			trans	-96.8	14.5	168.1	-71.3	-31.2	0	0	0	113.8	N86	N86-H88 PolarHBondContact O-N 2.93Å
89	G	57.8	Low	57.6	Low	46 Å²	46	123.9 Å²	123.9	47%	0.474	69%	0.685	S	S	.	*	S	Bend	trans	-58.6	156.6	156	0	0	0	0	0	110.8
90	P	56.2	Low	59.2	Low	123 Å²	123	118.4 Å²	118.4	80%	0.799	66%	0.659	S	S	*	*	S	Bend	trans	-53.8	136.4	170.3	25.2	-33.6	0	0	0	108.7	A92	P90-A92 PolarHBondContact O-N 3.07Å; P90-A92 VanDerWaalsContact O-N 3.07Å
91	P	52.8	Low	61.3	Low	125 Å²	125	117.5 Å²	117.5	81%	0.812	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-54.7	122.5	-171.8	21.5	-33.3	0	0	0	109.3	Q93	P91-Q93 PolarHBondContact O-N 3.48Å; P91-Q93 VanDerWaalsContact O-N 3.08Å
92	A	54.5	Low	63.6	Low	90 Å²	90	109.9 Å²	109.9	74%	0.744	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-47.2	122.4	-178	0	0	0	0	0	108.9	P90 R94	P90-A92 PolarHBondContact O-N 3.07Å; P90-A92 VanDerWaalsContact O-N 3.07Å; A92-R94 PolarHBondContact O-N 2.96Å
93	Q	54.6	Low	66	Low	193 Å²	193	106 Å²	106	90%	0.902	58%	0.581	S	S	*	*			trans	-55.2	114.6	-172.1	-165.2	173.8	20.4	0	0	107.4	P91 A95	P91-Q93 PolarHBondContact O-N 3.48Å; P91-Q93 VanDerWaalsContact O-N 3.08Å; Q93-A95 PolarHBondContact O-N 3Å
94	R	54.5	Low	68.3	Low	240 Å²	240	101.4 Å²	101.4	91%	0.906	55%	0.552	S	S	*	*			trans	-65.3	86.1	-172.4	-71.9	-176.7	-177.7	169.7	0.8	109.5	A92 L96	A92-R94 PolarHBondContact O-N 2.96Å; R94-L96 PolarHBondContact O-N 3.43Å
95	A	57.4	Low	70.6	Confident	91 Å²	91	91.5 Å²	91.5	75%	0.752	51%	0.514	S	S	*	.			trans	-56.1	123.3	169.5	0	0	0	0	0	107.1	Q93	Q93-A95 PolarHBondContact O-N 3Å
96	L	61.9	Low	72.9	Confident	80 Å²	80	85.2 Å²	85.2	42%	0.419	48%	0.479	S	S	.	.			trans	-61	140.1	172.4	-69.3	175.4	0	0	0	107.7	R94 F98 P159	R94-L96 PolarHBondContact O-N 3.43Å; L96-F98 WeakPolarHBondContact CB-O 3.19Å; L96-F98 PolarHBondContact O-N 3.3Å; L96-P159 HydrophobicContact CD1-CB 4.27Å
97	P	76.7	Confident	75.2	Confident	117 Å²	117	78.2 Å²	78.2	76%	0.76	44%	0.441	S	S	*	.	S	Bend	trans	-66.8	0.7	177.8	25.9	-32.7	0	0	0	113.4
98	F	86.6	Confident	77.4	Confident	76 Å²	76	72 Å²	72	33%	0.333	41%	0.41	S	S	.	.	S	Bend	trans	-135.9	153	178.5	-59.8	-82.3	0	0	0	109.2	L96 S100 L294 P296	L96-F98 WeakPolarHBondContact CB-O 3.19Å; L96-F98 PolarHBondContact O-N 3.3Å; F98-S100 PolarHBondContact O-N 3.44Å; F98-L294 VanDerWaalsContact CD1-O 3.25Å; F98-L294 WeakPolarHBondContact CD1-O 3.25Å; F98-P296 HydrophobicContact CD1-CG 4.41Å; F98-P296 HydrophobicContact CD2-CG 3.65Å; F98-P296 HydrophobicContact CE1-CG 4.16Å; F98-P296 HydrophobicContact CE2-CG 3.38Å; F98-P296 HydrophobicContact CG-CG 4.18Å; F98-P296 HydrophobicContact CZ-CG 3.66Å
99	P	91.9	Very high	79.3	Confident	49 Å²	49	64.3 Å²	64.3	32%	0.318	37%	0.374	S	S	.	.			trans	-56.1	130.6	-177.1	-26	34.2	0	0	0	114.1	V180 L295 H297 Y298	P99-V180 HydrophobicContact CB-CB 4.33Å; P99-V180 HydrophobicContact CB-CG1 3.79Å; P99-V180 HydrophobicContact CB-CG2 3.55Å; P99-V180 HydrophobicContact CG-CG1 3.81Å; P99-V180 HydrophobicContact CG-CG2 4.1Å; P99-L295 HydrophobicContact CB-CD2 4.37Å; P99-L295 HydrophobicContact CG-CD2 4.45Å; P99-H297 PolarHBondContact O-CE1 3.13Å; P99-H297 VanDerWaalsContact O-CE1 3.26Å; P99-H297 PolarHBondContact O-NE2 2.77Å; P99-Y298 WeakPolarHBondContact O-CE2 3.4Å
100	S	93.6	Very high	81.1	Confident	27 Å²	27	62.1 Å²	62.1	19%	0.189	35%	0.351	C	S	.	.	S	Bend	trans	-95.3	0.1	-177.8	54.9	0	0	0	0	115	F98 Q158 P159 F160 Y298	F98-S100 PolarHBondContact O-N 3.44Å; S100-Q158 PolarHBondContact OG-OE1 3.03Å; S100-P159 WeakPolarHBondContact O-CA 3.25Å; S100-F160 PolarHBondContact O-N 3.06Å; S100-Y298 PolarHBondContact O-OH 3.19Å
101	Q	95.9	Very high	82.8	Confident	21 Å²	21	57.2 Å²	57.2	10%	0.098	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	96.1	-175.1	-59.8	-176.3	75	0	0	109	Q158 F160 E177 P179 V180	Q101-Q158 VanDerWaalsContact CG-CD 3.48Å; Q101-Q158 HydrophobicContact CG-CG 3.99Å; Q101-F160 HydrophobicContact CB-CE1 3.99Å; Q101-F160 HydrophobicContact CB-CE2 4.45Å; Q101-F160 HydrophobicContact CB-CZ 3.8Å; Q101-F160 HydrophobicContact CG-CD1 4.45Å; Q101-F160 HydrophobicContact CG-CE1 3.71Å; Q101-F160 HydrophobicContact CG-CZ 4.03Å; Q101-E177 PolarHBondContact NE2-OE2 2.88Å; Q101-P179 HydrophobicContact CB-CB 3.85Å; Q101-P179 WeakPolarHBondContact O-CA 3.4Å; Q101-P179 WeakPolarHBondContact O-CB 3.41Å; Q101-V180 PolarHBondContact O-N 3.32Å
102	V	97.4	Very high	84.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.5	-173.2	-176.8	0	0	0	0	110.8	F160 L161 Y162 V180 I182 L295 Y298	V102-F160 PolarHBondContact N-O 2.99Å; V102-F160 VanDerWaalsContact N-O 3.12Å; V102-L161 HydrophobicContact CB-CB 4.42Å; V102-L161 HydrophobicContact CB-CD1 4.4Å; V102-L161 HydrophobicContact CB-CG 4.05Å; V102-L161 HydrophobicContact CG1-CD1 4.05Å; V102-L161 HydrophobicContact CG1-CG 3.96Å; V102-L161 CarbonylContact O-C 3.5Å; V102-L161 WeakPolarHBondContact O-CA 3.45Å; V102-Y162 PolarHBondContact O-N 3.01Å; V102-V180 WeakPolarHBondContact CA-O 3.41Å; V102-V180 HydrophobicContact CB-CG2 4.5Å; V102-V180 HydrophobicContact CG2-CG2 3.93Å; V102-I182 HydrophobicContact CG1-CD1 3.8Å; V102-I182 HydrophobicContact CG1-CG1 3.84Å; V102-I182 HydrophobicContact CG1-CG2 4.34Å; V102-L295 HydrophobicContact CG1-CD1 4.21Å; V102-L295 HydrophobicContact CG2-CD1 3.91Å; V102-L295 HydrophobicContact CG2-CD2 4.2Å; V102-Y298 HydrophobicContact CG2-CD2 4.16Å; V102-Y298 HydrophobicContact CG2-CE2 3.48Å; V102-Y298 VanDerWaalsContact CG2-CE2 3.48Å
103	I	98.1	Very high	86.3	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.9	171.6	-63.3	-170.7	0	0	0	110.8	N105 I153 Y162 F171 P179 V180 Y181 I182	I103-N105 HydrophobicContact CG2-CB 4.23Å; I103-I153 HydrophobicContact CD1-CD1 4.27Å; I103-I153 HydrophobicContact CD1-CG2 4.28Å; I103-Y162 HydrophobicContact CG2-CD1 4.45Å; I103-F171 HydrophobicContact CD1-CE1 4.31Å; I103-F171 HydrophobicContact CD1-CE2 3.68Å; I103-F171 HydrophobicContact CD1-CZ 3.44Å; I103-F171 VanDerWaalsContact CD1-CZ 3.44Å; I103-P179 HydrophobicContact CD1-CB 4.16Å; I103-P179 HydrophobicContact CD1-CG 3.41Å; I103-P179 VanDerWaalsContact CD1-CG 3.41Å; I103-P179 HydrophobicContact CG1-CB 4.03Å; I103-P179 HydrophobicContact CG1-CG 3.83Å; I103-V180 PolarHBondContact N-O 3.4Å; I103-Y181 HydrophobicContact CB-CD1 4.17Å; I103-Y181 HydrophobicContact CB-CD2 4.18Å; I103-Y181 HydrophobicContact CB-CE1 4.05Å; I103-Y181 HydrophobicContact CB-CE2 4.01Å; I103-Y181 HydrophobicContact CB-CG 4.24Å; I103-Y181 HydrophobicContact CD1-CE2 3.94Å; I103-Y181 HydrophobicContact CG1-CE2 4.38Å; I103-Y181 HydrophobicContact CG2-CD1 3.9Å; I103-Y181 HydrophobicContact CG2-CE1 3.49Å; I103-Y181 VanDerWaalsContact CG2-CE1 3.49Å; I103-Y181 HydrophobicContact CG2-CE2 4.27Å; I103-Y181 HydrophobicContact CG2-CG 4.48Å; I103-Y181 WeakPolarHBondContact O-CA 3.41Å; I103-I182 PolarHBondContact O-N 3.28Å
104	Y	98	Very high	88	Confident	3 Å²	3	45.1 Å²	45.1	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	89	167.2	179.2	-151.7	0	0	0	110.1	R106 S112 V115 L119 Y162 T163 R164 I182 N183	Y104-R106 HydrophobicContact CD1-CB 4.1Å; Y104-R106 HydrophobicContact CD2-CB 4Å; Y104-R106 HydrophobicContact CE1-CB 3.76Å; Y104-R106 HydrophobicContact CE2-CB 3.65Å; Y104-R106 HydrophobicContact CG-CB 4.22Å; Y104-R106 PolarHBondContact O-N 2.7Å; Y104-S112 WeakPolarHBondContact OH-CA 3.46Å; Y104-S112 WeakPolarHBondContact OH-CB 3.47Å; Y104-V115 HydrophobicContact CD1-CG1 4.44Å; Y104-V115 HydrophobicContact CE1-CB 4.12Å; Y104-V115 HydrophobicContact CE1-CG1 3.7Å; Y104-L119 HydrophobicContact CD1-CD1 4.09Å; Y104-Y162 PolarHBondContact N-O 3.31Å; Y104-T163 WeakPolarHBondContact O-CA 3.18Å; Y104-T163 PolarHBondContact O-OG1 3.48Å; Y104-R164 PolarHBondContact O-N 2.72Å; Y104-I182 WeakPolarHBondContact CD2-O 3.28Å; Y104-N183 WeakPolarHBondContact CE2-OD1 3.48Å
105	N	97.4	Very high	89.9	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.196	C	C	.	.			trans	-78.6	60.1	178.1	82.5	-60	0	0	0	111.6	I103 V107 R164 V166 F168 Y181 N183 Y248 Y275	I103-N105 HydrophobicContact CG2-CB 4.23Å; N105-V107 PolarHBondContact O-N 3.33Å; N105-R164 CarbonylContact C-O 3.59Å; N105-R164 VanDerWaalsContact C-O 3.31Å; N105-R164 WeakPolarHBondContact CA-O 3.32Å; N105-V166 HydrophobicContact CB-CG1 4.02Å; N105-V166 WeakPolarHBondContact CB-O 3.48Å; N105-V166 PolarHBondContact ND2-O 3.01Å; N105-F168 PolarHBondContact ND2-N 3.07Å; N105-Y181 HydrophobicContact CB-CD1 4.22Å; N105-Y181 HydrophobicContact CB-CE1 3.9Å; N105-Y181 WeakPolarHBondContact OD1-CD1 3.36Å; N105-N183 PolarHBondContact O-ND2 3.22Å; N105-N183 PolarHBondContact OD1-ND2 3.17Å; N105-Y248 PolarHBondContact ND2-O 3.47Å; N105-Y248 WeakPolarHBondContact O-CD1 3.37Å; N105-Y275 PolarHBondContact ND2-OH 3.41Å; N105-Y275 WeakPolarHBondContact OD1-CE1 3.13Å; N105-Y275 PolarHBondContact OD1-OH 3.23Å
106	R	95.5	Very high	91.7	Very high	25 Å²	25	30.3 Å²	30.3	9%	0.094	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-49.2	121.1	-164.4	51.6	172.3	-164.4	-116.9	7.7	114.7	Y104 S132 T163 R164 H165 Y248	Y104-R106 HydrophobicContact CD1-CB 4.1Å; Y104-R106 HydrophobicContact CD2-CB 4Å; Y104-R106 HydrophobicContact CE1-CB 3.76Å; Y104-R106 HydrophobicContact CE2-CB 3.65Å; Y104-R106 HydrophobicContact CG-CB 4.22Å; Y104-R106 PolarHBondContact O-N 2.7Å; R106-S132 PolarHBondContact NH1-OG 3.08Å; R106-T163 WeakPolarHBondContact CD-OG1 3.4Å; R106-T163 VanDerWaalsContact NH1-CG2 3.29Å; R106-T163 PolarHBondContact NH1-OG1 3.08Å; R106-R164 PolarHBondContact N-O 3.21Å; R106-R164 VanDerWaalsContact N-O 3.1Å; R106-H165 PolarHBondContact NE-CE1 3.5Å; R106-H165 PolarHBondContact NE-NE2 2.94Å; R106-H165 PolarHBondContact O-ND1 3.41Å; R106-Y248 VanDerWaalsContact O-CE1 3.32Å; R106-Y248 WeakPolarHBondContact O-CE1 3.43Å
107	V	96.6	Very high	93.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-69.2	140.6	172.9	-174.1	0	0	0	0	110.7	N105 C110 I185 Y244 I245 Y248 F249	N105-V107 PolarHBondContact O-N 3.33Å; V107-C110 HydrophobicContact CB-CB 4.34Å; V107-I185 HydrophobicContact CG2-CG2 4.46Å; V107-Y244 HydrophobicContact CG1-CD1 4.08Å; V107-Y244 HydrophobicContact CG1-CE1 3.83Å; V107-I245 HydrophobicContact CG1-CG1 4.48Å; V107-Y248 HydrophobicContact CG1-CD2 4.42Å; V107-Y248 HydrophobicContact CG2-CD1 4.03Å; V107-Y248 HydrophobicContact CG2-CG 3.96Å; V107-F249 HydrophobicContact CG2-CE2 3.96Å; V107-F249 HydrophobicContact CG2-CZ 4.37Å
108	G	93.6	Very high	94.1	Very high	7 Å²	7	22.2 Å²	22.2	7%	0.072	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	135.2	175.3	0	0	0	0	0	112.8	C110	G108-C110 PolarHBondContact O-N 2.9Å
109	K	93.9	Very high	94.6	Very high	36 Å²	36	18.8 Å²	18.8	16%	0.157	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	8.1	173.5	-44.8	-61.9	-73.8	161	0	116.3	G111 R191 S194 N195 F198 T320	K109-G111 PolarHBondContact O-N 2.93Å; K109-R191 HydrophobicContact CB-CG 4.07Å; K109-S194 WeakPolarHBondContact CE-O 3.33Å; K109-S194 VanDerWaalsContact CE-OG 3.32Å; K109-S194 WeakPolarHBondContact CE-OG 3.41Å; K109-S194 PolarHBondContact NZ-O 2.74Å; K109-N195 HydrophobicContact CG-CB 3.94Å; K109-F198 HydrophobicContact CD-CD1 4.3Å; K109-F198 HydrophobicContact CD-CG 4.45Å; K109-T320 PolarHBondContact NZ-OG1 2.96Å
110	C	96.3	Very high	94.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-93.3	48.7	171.6	-56.6	0	0	0	0	112.2	V107 G108 S112 I184 R186	V107-C110 HydrophobicContact CB-CB 4.34Å; G108-C110 PolarHBondContact O-N 2.9Å; C110-S112 PolarHBondContact O-N 3.49Å; C110-I184 WeakPolarHBondContact CB-O 3.45Å; C110-R186 HydrophobicContact CB-CB 4.12Å
111	G	92.1	Very high	94.8	Very high	19 Å²	19	24.7 Å²	24.7	20%	0.196	12%	0.115	C	C	.	.	S	Bend	trans	67.4	2.3	177.8	0	0	0	0	0	116.5	K109 R113 T114 V115	K109-G111 PolarHBondContact O-N 2.93Å; G111-R113 VanDerWaalsContact C-N 3.3Å; G111-R113 PolarHBondContact O-N 3.33Å; G111-R113 VanDerWaalsContact O-N 3.08Å; G111-T114 WeakPolarHBondContact O-CA 3.25Å; G111-T114 VanDerWaalsContact O-CB 3.24Å; G111-T114 WeakPolarHBondContact O-CB 3.36Å; G111-T114 PolarHBondContact O-N 3.28Å; G111-T114 PolarHBondContact O-OG1 2.89Å; G111-V115 PolarHBondContact O-N 3.26Å
112	S	90.1	Very high	94.9	Very high	10 Å²	10	23.7 Å²	23.7	7%	0.07	11%	0.11	C	C	.	.	H	α-helix	trans	-58.3	-30.5	-166.4	66.3	0	0	0	0	116	Y104 C110 T114 V115 V116	Y104-S112 WeakPolarHBondContact OH-CA 3.46Å; Y104-S112 WeakPolarHBondContact OH-CB 3.47Å; C110-S112 PolarHBondContact O-N 3.49Å; S112-T114 VanDerWaalsContact C-N 3.32Å; S112-V115 PolarHBondContact O-N 3.48Å; S112-V116 WeakPolarHBondContact O-CB 3.37Å; S112-V116 VanDerWaalsContact O-CG2 3.25Å; S112-V116 WeakPolarHBondContact O-CG2 3.47Å; S112-V116 PolarHBondContact O-N 3.46Å
113	R	89.4	Confident	94.9	Very high	126 Å²	126	24.4 Å²	24.4	48%	0.475	12%	0.116	S	C	.	.	H	α-helix	trans	-70.5	-29.5	176.6	-168.6	159.2	178	-157.4	3.8	112.3	G111 I117 D203 R205	G111-R113 VanDerWaalsContact C-N 3.3Å; G111-R113 PolarHBondContact O-N 3.33Å; G111-R113 VanDerWaalsContact O-N 3.08Å; R113-I117 WeakPolarHBondContact O-CD1 3.19Å; R113-I117 WeakPolarHBondContact O-CG1 3.3Å; R113-I117 PolarHBondContact O-N 3.15Å; R113-D203 IonicContact NH1-OD2 2.75Å; R113-D203 PolarHBondContact NH1-OD2 3.45Å; R113-R205 VanDerWaalsContact CD-NH2 3.27Å; R113-R205 VanDerWaalsContact NE-CZ 3.34Å; R113-R205 VanDerWaalsContact NH1-CZ 3.34Å; R113-R205 VanDerWaalsContact NH1-NH2 3.19Å
114	T	91.4	Very high	94.8	Very high	19 Å²	19	30.4 Å²	30.4	12%	0.117	14%	0.144	C	C	.	.	H	α-helix	trans	-71.2	-46.8	174.2	-48.6	0	0	0	0	109.7	G111 S112 V116 I117 L118 Y311 T318	G111-T114 WeakPolarHBondContact O-CA 3.25Å; G111-T114 VanDerWaalsContact O-CB 3.24Å; G111-T114 WeakPolarHBondContact O-CB 3.36Å; G111-T114 PolarHBondContact O-N 3.28Å; G111-T114 PolarHBondContact O-OG1 2.89Å; S112-T114 VanDerWaalsContact C-N 3.32Å; T114-V116 VanDerWaalsContact C-N 3.34Å; T114-V116 PolarHBondContact O-N 3.15Å; T114-I117 WeakPolarHBondContact O-CB 3.38Å; T114-I117 PolarHBondContact O-N 2.89Å; T114-I117 VanDerWaalsContact O-N 3.14Å; T114-L118 PolarHBondContact O-N 2.94Å; T114-Y311 HydrophobicContact CG2-CE1 4.32Å; T114-Y311 WeakPolarHBondContact CG2-OH 3.5Å; T114-Y311 PolarHBondContact O-OH 3.08Å; T114-Y311 VanDerWaalsContact O-OH 3.09Å; T114-T318 PolarHBondContact OG1-OG1 3.48Å
115	V	94.4	Very high	94.7	Very high	6 Å²	6	35.3 Å²	35.3	4%	0.036	17%	0.166	C	C	.	.	H	α-helix	trans	-59.9	-41	174.1	-178.3	0	0	0	0	111.8	Y104 G111 S112 I117 L118 L119 I184 L284	Y104-V115 HydrophobicContact CD1-CG1 4.44Å; Y104-V115 HydrophobicContact CE1-CB 4.12Å; Y104-V115 HydrophobicContact CE1-CG1 3.7Å; G111-V115 PolarHBondContact O-N 3.26Å; S112-V115 PolarHBondContact O-N 3.48Å; V115-I117 VanDerWaalsContact C-N 3.32Å; V115-I117 PolarHBondContact O-N 2.89Å; V115-L118 WeakPolarHBondContact O-CB 3.29Å; V115-L118 PolarHBondContact O-N 3.45Å; V115-L119 HydrophobicContact CG1-CD1 4.16Å; V115-L119 HydrophobicContact CG1-CG 4.33Å; V115-L119 WeakPolarHBondContact O-CG 3.36Å; V115-L119 PolarHBondContact O-N 2.94Å; V115-I184 HydrophobicContact CG2-CD1 3.99Å; V115-L284 HydrophobicContact CG2-CD1 4.42Å
116	V	94.1	Very high	94.6	Very high	14 Å²	14	37.8 Å²	37.8	9%	0.085	18%	0.177	C	C	.	.	H	α-helix	trans	-66	-30.9	177.2	168.6	0	0	0	0	112.8	S112 T114 R120 T163	S112-V116 WeakPolarHBondContact O-CB 3.37Å; S112-V116 VanDerWaalsContact O-CG2 3.25Å; S112-V116 WeakPolarHBondContact O-CG2 3.47Å; S112-V116 PolarHBondContact O-N 3.46Å; T114-V116 VanDerWaalsContact C-N 3.34Å; T114-V116 PolarHBondContact O-N 3.15Å; V116-R120 WeakPolarHBondContact O-CG 3.35Å; V116-R120 PolarHBondContact O-N 3.37Å; V116-T163 HydrophobicContact CG2-CG2 4.32Å
117	I	93.8	Very high	94.6	Very high	25 Å²	25	44.6 Å²	44.6	13%	0.128	21%	0.207	C	C	.	.	H	α-helix	trans	-66.1	-44.6	172.1	-67.2	161.9	0	0	0	109.8	R113 T114 V115 L119 R120 L121 Y311 M314 T318	R113-I117 WeakPolarHBondContact O-CD1 3.19Å; R113-I117 WeakPolarHBondContact O-CG1 3.3Å; R113-I117 PolarHBondContact O-N 3.15Å; T114-I117 WeakPolarHBondContact O-CB 3.38Å; T114-I117 PolarHBondContact O-N 2.89Å; T114-I117 VanDerWaalsContact O-N 3.14Å; V115-I117 VanDerWaalsContact C-N 3.32Å; V115-I117 PolarHBondContact O-N 2.89Å; I117-L119 PolarHBondContact O-N 2.68Å; I117-R120 PolarHBondContact O-N 2.86Å; I117-L121 PolarHBondContact O-N 2.69Å; I117-Y311 HydrophobicContact CB-CE2 4.36Å; I117-Y311 HydrophobicContact CG2-CD2 4.18Å; I117-Y311 HydrophobicContact CG2-CE2 4.05Å; I117-M314 HydrophobicContact CG2-CE 4.14Å; I117-M314 HydrophobicContact CG2-SD 4.2Å; I117-T318 HydrophobicContact CD1-CG2 4.3Å
118	L	95.4	Very high	94.6	Very high	2 Å²	2	45 Å²	45	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-61.1	-44	177.4	-169	56.1	0	0	0	111.9	T114 V115 R120 L121 L122 L288 V302 I305 Y306 Y311	T114-L118 PolarHBondContact O-N 2.94Å; V115-L118 WeakPolarHBondContact O-CB 3.29Å; V115-L118 PolarHBondContact O-N 3.45Å; L118-R120 VanDerWaalsContact C-N 3.3Å; L118-R120 PolarHBondContact O-N 3.3Å; L118-L121 PolarHBondContact O-N 2.69Å; L118-L122 HydrophobicContact CG-CD1 4.22Å; L118-L122 WeakPolarHBondContact O-CG 3.49Å; L118-L122 PolarHBondContact O-N 2.86Å; L118-L288 HydrophobicContact CD2-CD1 3.71Å; L118-L288 HydrophobicContact CD2-CD2 3.62Å; L118-L288 HydrophobicContact CD2-CG 4.33Å; L118-V302 HydrophobicContact CD1-CG2 4.07Å; L118-V302 HydrophobicContact CD2-CG2 3.52Å; L118-V302 HydrophobicContact CG-CG2 3.83Å; L118-I305 HydrophobicContact CD1-CB 3.78Å; L118-I305 HydrophobicContact CD1-CG2 3.47Å; L118-I305 VanDerWaalsContact CD1-CG2 3.47Å; L118-Y306 HydrophobicContact CD2-CD2 4.35Å; L118-Y311 HydrophobicContact CB-CE2 3.72Å; L118-Y311 HydrophobicContact CD1-CD2 4.3Å; L118-Y311 HydrophobicContact CD1-CE2 3.95Å; L118-Y311 HydrophobicContact CG-CE2 4.34Å
119	L	96.8	Very high	94.8	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.016	22%	0.223	C	C	.	.	H	α-helix	trans	-61.7	-33.2	176.8	-72.6	175.1	0	0	0	113.2	Y104 V115 I117 L122 A123 L130 L161 F299	Y104-L119 HydrophobicContact CD1-CD1 4.09Å; V115-L119 HydrophobicContact CG1-CD1 4.16Å; V115-L119 HydrophobicContact CG1-CG 4.33Å; V115-L119 WeakPolarHBondContact O-CG 3.36Å; V115-L119 PolarHBondContact O-N 2.94Å; I117-L119 PolarHBondContact O-N 2.68Å; L119-L122 HydrophobicContact CD2-CD1 4.47Å; L119-A123 VanDerWaalsContact O-CB 3.31Å; L119-A123 WeakPolarHBondContact O-CB 3.26Å; L119-A123 PolarHBondContact O-N 3.36Å; L119-L130 HydrophobicContact CB-CD1 4.08Å; L119-L130 HydrophobicContact CB-CD2 3.95Å; L119-L130 HydrophobicContact CD1-CD1 4.4Å; L119-L161 HydrophobicContact CD1-CD1 4.33Å; L119-L161 HydrophobicContact CD1-CD2 3.87Å; L119-L161 HydrophobicContact CD2-CD1 3.72Å; L119-F299 HydrophobicContact CD2-CE1 3.57Å; L119-F299 HydrophobicContact CD2-CZ 3.72Å
120	R	95.9	Very high	94.9	Very high	144 Å²	144	48.1 Å²	48.1	54%	0.543	23%	0.226	S	C	.	.	H	α-helix	trans	-65.6	-48.6	175.6	-73.4	169.4	178.7	-161.6	-5.4	111.3	V116 I117 L118 L122 A123 E124 L130	V116-R120 WeakPolarHBondContact O-CG 3.35Å; V116-R120 PolarHBondContact O-N 3.37Å; I117-R120 PolarHBondContact O-N 2.86Å; L118-R120 VanDerWaalsContact C-N 3.3Å; L118-R120 PolarHBondContact O-N 3.3Å; R120-L122 VanDerWaalsContact C-N 3.29Å; R120-L122 PolarHBondContact O-N 3.5Å; R120-A123 PolarHBondContact O-N 3.47Å; R120-A123 VanDerWaalsContact O-N 3.16Å; R120-E124 WeakPolarHBondContact O-CG 3.42Å; R120-E124 PolarHBondContact O-N 3.16Å; R120-L130 HydrophobicContact CB-CD2 4.24Å; R120-L130 HydrophobicContact CG-CD2 3.57Å
121	L	95.7	Very high	94.9	Very high	56 Å²	56	50.5 Å²	50.5	29%	0.293	24%	0.24	S	C	.	.	H	α-helix	trans	-61.3	-39.3	177.1	-60.8	171.9	0	0	0	111.5	I117 L118 K125 I305 Y311	I117-L121 PolarHBondContact O-N 2.69Å; L118-L121 PolarHBondContact O-N 2.69Å; L121-K125 WeakPolarHBondContact O-CB 3.43Å; L121-K125 PolarHBondContact O-N 3.05Å; L121-I305 HydrophobicContact CB-CG2 4.18Å; L121-I305 HydrophobicContact CD1-CG2 3.55Å; L121-Y311 HydrophobicContact CD1-CD2 4.18Å
122	L	97	Very high	94.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-67.1	-39.3	173.9	-73.7	168.8	0	0	0	112.9	L118 L119 R120 K125 H126 F128 Y298 F299 V302 I305	L118-L122 HydrophobicContact CG-CD1 4.22Å; L118-L122 WeakPolarHBondContact O-CG 3.49Å; L118-L122 PolarHBondContact O-N 2.86Å; L119-L122 HydrophobicContact CD2-CD1 4.47Å; R120-L122 VanDerWaalsContact C-N 3.29Å; R120-L122 PolarHBondContact O-N 3.5Å; L122-K125 PolarHBondContact O-N 2.69Å; L122-H126 WeakPolarHBondContact O-CB 3.49Å; L122-H126 PolarHBondContact O-CD2 3.16Å; L122-H126 PolarHBondContact O-N 2.91Å; L122-F128 HydrophobicContact CB-CE1 4.06Å; L122-F128 HydrophobicContact CB-CZ 4.26Å; L122-Y298 WeakPolarHBondContact CB-O 3.48Å; L122-F299 HydrophobicContact CD1-CD1 3.71Å; L122-F299 HydrophobicContact CD1-CE1 4.22Å; L122-F299 HydrophobicContact CD1-CG 4.47Å; L122-V302 HydrophobicContact CD1-CB 4.22Å; L122-V302 HydrophobicContact CD1-CG2 3.87Å; L122-V302 HydrophobicContact CD2-CB 4.33Å; L122-I305 HydrophobicContact CD2-CD1 3.74Å; L122-I305 HydrophobicContact CG-CD1 4.16Å
123	A	97.1	Very high	94.7	Very high	15 Å²	15	52.4 Å²	52.4	12%	0.124	25%	0.25	C	S	.	.	H	α-helix	trans	-64.8	-40.9	176.5	0	0	0	0	0	111.8	L119 R120 K127 F128 L130	L119-A123 VanDerWaalsContact O-CB 3.31Å; L119-A123 WeakPolarHBondContact O-CB 3.26Å; L119-A123 PolarHBondContact O-N 3.36Å; R120-A123 PolarHBondContact O-N 3.47Å; R120-A123 VanDerWaalsContact O-N 3.16Å; A123-K127 VanDerWaalsContact O-CA 3.28Å; A123-K127 WeakPolarHBondContact O-CA 3.34Å; A123-K127 PolarHBondContact O-N 3.07Å; A123-F128 VanDerWaalsContact CA-CE1 3.48Å; A123-F128 HydrophobicContact CB-CD1 4.47Å; A123-F128 HydrophobicContact CB-CD2 4.14Å; A123-F128 HydrophobicContact CB-CE1 4.09Å; A123-F128 HydrophobicContact CB-CE2 3.72Å; A123-F128 HydrophobicContact CB-CG 4.49Å; A123-F128 HydrophobicContact CB-CZ 3.68Å; A123-L130 HydrophobicContact CB-CB 3.78Å; A123-L130 HydrophobicContact CB-CD2 4.44Å
124	E	95.9	Very high	94.2	Very high	129 Å²	129	53.5 Å²	53.5	60%	0.603	27%	0.266	S	S	*	.	H	α-helix	trans	-64.2	-38.3	174	-72.4	169.9	-157.8	0	0	112.4	R120 K127	R120-E124 WeakPolarHBondContact O-CG 3.42Å; R120-E124 PolarHBondContact O-N 3.16Å; E124-K127 WeakPolarHBondContact O-CD 3.42Å; E124-K127 VanDerWaalsContact O-CE 3.32Å; E124-K127 WeakPolarHBondContact O-CE 3.48Å; E124-K127 PolarHBondContact O-NZ 3.32Å
125	K	95.8	Very high	93.8	Very high	105 Å²	105	56.3 Å²	56.3	46%	0.457	28%	0.279	S	S	.	.	H	α-helix	trans	-70.4	-50.6	177.4	-175.2	-177.7	177.7	-170.4	0	112.6	L121 L122 S300 I305	L121-K125 WeakPolarHBondContact O-CB 3.43Å; L121-K125 PolarHBondContact O-N 3.05Å; L122-K125 PolarHBondContact O-N 2.69Å; K125-S300 PolarHBondContact NZ-O 2.87Å; K125-I305 HydrophobicContact CD-CD1 4.37Å
126	H	96.1	Very high	92.8	Very high	53 Å²	53	62 Å²	62	25%	0.245	31%	0.305	C	S	.	.	H	α-helix	trans	-100.3	-1.8	-168.8	-60.2	-53.3	0	0	0	114.7	L122 F128 H297 Y298 S300	L122-H126 WeakPolarHBondContact O-CB 3.49Å; L122-H126 PolarHBondContact O-CD2 3.16Å; L122-H126 PolarHBondContact O-N 2.91Å; H126-F128 HydrophobicContact CB-CD1 4.03Å; H126-F128 HydrophobicContact CB-CE1 4.43Å; H126-F128 PolarHBondContact O-N 2.99Å; H126-H297 WeakPolarHBondContact CB-O 3.34Å; H126-Y298 PolarHBondContact CD2-O 2.84Å; H126-S300 PolarHBondContact CE1-O 3.41Å; H126-S300 VanDerWaalsContact CE1-O 3.26Å; H126-S300 PolarHBondContact NE2-N 3.15Å; H126-S300 PolarHBondContact NE2-O 3.26Å
127	K	95.9	Very high	92	Very high	167 Å²	167	67.4 Å²	67.4	73%	0.726	33%	0.333	S	S	*	.			trans	60	34.4	174.5	-49.7	-55.3	-176.6	-165	0	115.3	A123 E124	A123-K127 VanDerWaalsContact O-CA 3.28Å; A123-K127 WeakPolarHBondContact O-CA 3.34Å; A123-K127 PolarHBondContact O-N 3.07Å; E124-K127 WeakPolarHBondContact O-CD 3.42Å; E124-K127 VanDerWaalsContact O-CE 3.32Å; E124-K127 WeakPolarHBondContact O-CE 3.48Å; E124-K127 PolarHBondContact O-NZ 3.32Å
128	F	96	Very high	91.8	Very high	9 Å²	9	69.9 Å²	69.9	4%	0.039	34%	0.343	C	S	.	.			trans	-93.7	158.6	170	70.5	-100.6	0	0	0	112.3	L122 A123 H126 L130 P159 L161 Y298	L122-F128 HydrophobicContact CB-CE1 4.06Å; L122-F128 HydrophobicContact CB-CZ 4.26Å; A123-F128 VanDerWaalsContact CA-CE1 3.48Å; A123-F128 HydrophobicContact CB-CD1 4.47Å; A123-F128 HydrophobicContact CB-CD2 4.14Å; A123-F128 HydrophobicContact CB-CE1 4.09Å; A123-F128 HydrophobicContact CB-CE2 3.72Å; A123-F128 HydrophobicContact CB-CG 4.49Å; A123-F128 HydrophobicContact CB-CZ 3.68Å; H126-F128 HydrophobicContact CB-CD1 4.03Å; H126-F128 HydrophobicContact CB-CE1 4.43Å; H126-F128 PolarHBondContact O-N 2.99Å; F128-L130 HydrophobicContact CD2-CB 4.48Å; F128-L130 HydrophobicContact CE2-CB 3.97Å; F128-L130 HydrophobicContact CE2-CD1 4.49Å; F128-L130 PolarHBondContact O-N 3.21Å; F128-P159 HydrophobicContact CB-CB 4.41Å; F128-P159 HydrophobicContact CB-CG 4.01Å; F128-L161 HydrophobicContact CD2-CB 4.25Å; F128-L161 HydrophobicContact CE2-CB 3.91Å; F128-Y298 HydrophobicContact CB-CD1 4.12Å; F128-Y298 HydrophobicContact CB-CE1 3.96Å; F128-Y298 AromaticContact CD1-CD1 3.57Å; F128-Y298 HydrophobicContact CD1-CD1 3.57Å; F128-Y298 HydrophobicContact CD1-CE1 4.27Å; F128-Y298 HydrophobicContact CD1-CG 4.36Å; F128-Y298 AromaticContact CD2-CD1 3.6Å; F128-Y298 HydrophobicContact CD2-CD1 3.6Å; F128-Y298 AromaticContact CD2-CE1 3.71Å; F128-Y298 HydrophobicContact CD2-CE1 3.71Å; F128-Y298 AromaticContact CE1-CD1 3.77Å; F128-Y298 HydrophobicContact CE1-CD1 3.77Å; F128-Y298 HydrophobicContact CE1-CG 4.44Å; F128-Y298 AromaticContact CE2-CD1 3.8Å; F128-Y298 HydrophobicContact CE2-CD1 3.8Å; F128-Y298 HydrophobicContact CE2-CE1 4.25Å; F128-Y298 AromaticContact CG-CD1 3.49Å; F128-Y298 HydrophobicContact CG-CD1 3.49Å; F128-Y298 VanDerWaalsContact CG-CD1 3.49Å; F128-Y298 AromaticContact CG-CE1 3.73Å; F128-Y298 HydrophobicContact CG-CE1 3.73Å; F128-Y298 AromaticContact CZ-CD1 3.9Å; F128-Y298 HydrophobicContact CZ-CD1 3.9Å
129	N	97.1	Very high	91.6	Very high	67 Å²	67	71 Å²	71	36%	0.358	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	101.3	-179.6	-66.1	-63.4	0	0	0	111.6	I156 P157 P159 F160 L161	N129-I156 HydrophobicContact CB-CG2 4.12Å; N129-P157 PolarHBondContact ND2-O 3.31Å; N129-P159 PolarHBondContact N-O 2.95Å; N129-F160 HydrophobicContact CB-CB 3.97Å; N129-F160 CarbonylContact O-C 3.55Å; N129-F160 VanDerWaalsContact O-CA 3.24Å; N129-F160 WeakPolarHBondContact O-CA 3.15Å; N129-F160 WeakPolarHBondContact O-CB 3.48Å; N129-L161 PolarHBondContact O-N 3.14Å
130	L	97.4	Very high	91.5	Very high	42 Å²	42	77.3 Å²	77.3	22%	0.22	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	111.3	170.9	178.8	65.5	0	0	0	110.7	L119 R120 A123 F128 L161 T163	L119-L130 HydrophobicContact CB-CD1 4.08Å; L119-L130 HydrophobicContact CB-CD2 3.95Å; L119-L130 HydrophobicContact CD1-CD1 4.4Å; R120-L130 HydrophobicContact CB-CD2 4.24Å; R120-L130 HydrophobicContact CG-CD2 3.57Å; A123-L130 HydrophobicContact CB-CB 3.78Å; A123-L130 HydrophobicContact CB-CD2 4.44Å; F128-L130 HydrophobicContact CD2-CB 4.48Å; F128-L130 HydrophobicContact CE2-CB 3.97Å; F128-L130 HydrophobicContact CE2-CD1 4.49Å; F128-L130 PolarHBondContact O-N 3.21Å; L130-L161 HydrophobicContact CD1-CB 4.39Å; L130-L161 HydrophobicContact CD1-CD2 3.92Å; L130-T163 HydrophobicContact CD1-CG2 4.24Å
131	V	96.1	Very high	91.4	Very high	50 Å²	50	71.1 Å²	71.1	30%	0.303	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	117.5	179	-179.4	0	0	0	0	109.8	I156 L161 Y162 T163	V131-I156 HydrophobicContact CB-CD1 4.03Å; V131-I156 HydrophobicContact CG1-CD1 4.13Å; V131-I156 HydrophobicContact CG2-CD1 3.95Å; V131-I156 HydrophobicContact CG2-CG1 4.33Å; V131-I156 HydrophobicContact CG2-CG2 3.83Å; V131-L161 PolarHBondContact N-O 2.83Å; V131-Y162 HydrophobicContact CB-CD2 4Å; V131-Y162 HydrophobicContact CG1-CD2 3.8Å; V131-Y162 HydrophobicContact CG1-CE2 3.97Å; V131-Y162 CarbonylContact O-C 3.56Å; V131-Y162 WeakPolarHBondContact O-CA 3.25Å; V131-T163 PolarHBondContact O-N 3.29Å
132	S	92.1	Very high	91.3	Very high	46 Å²	46	74.5 Å²	74.5	32%	0.322	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136.9	169.5	-175.9	0	0	0	0	109.7	R106 T163	R106-S132 PolarHBondContact NH1-OG 3.08Å; S132-T163 WeakPolarHBondContact CA-O 3.37Å
133	S	85.9	Confident	91.1	Very high	22 Å²	22	82.8 Å²	82.8	15%	0.154	40%	0.403	C	S	.	.			trans	-77.2	142.1	168.7	-167.5	0	0	0	0	111.4	I135 Y162 T163	S133-I135 VanDerWaalsContact C-N 3.26Å; S133-I135 PolarHBondContact OG-N 3.07Å; S133-Y162 WeakPolarHBondContact CB-OH 3.43Å; S133-T163 PolarHBondContact N-O 3.3Å
134	D	78.4	Confident	90.9	Very high	149 Å²	149	87.6 Å²	87.6	80%	0.797	42%	0.423	S	S	*	.	S	Bend	trans	-72.7	-22.3	170.1	-52.2	-60	0	0	0	112.2	H136	D134-H136 PolarHBondContact O-N 3.14Å; D134-H136 VanDerWaalsContact O-N 3.09Å; D134-H136 PolarHBondContact O-ND1 2.75Å
135	I	82.4	Confident	90.9	Very high	78 Å²	78	84 Å²	84	40%	0.4	41%	0.406	S	S	.	.			trans	-75.1	101.5	176.4	-52.5	174.2	0	0	0	109.2	S133 K138 R164	S133-I135 VanDerWaalsContact C-N 3.26Å; S133-I135 PolarHBondContact OG-N 3.07Å; I135-K138 HydrophobicContact CG2-CB 3.81Å; I135-R164 VanDerWaalsContact CG2-NH2 3.35Å
136	H	73.3	Confident	90.8	Very high	126 Å²	126	80.6 Å²	80.6	58%	0.583	39%	0.392	S	S	*	.			trans	-108.4	-19.6	-173.8	57.2	-85.4	0	0	0	113.9	D134	D134-H136 PolarHBondContact O-N 3.14Å; D134-H136 VanDerWaalsContact O-N 3.09Å; D134-H136 PolarHBondContact O-ND1 2.75Å
137	N	77.8	Confident	90.7	Very high	127 Å²	127	79.5 Å²	79.5	68%	0.679	39%	0.389	S	S	*	.	S	Bend	trans	-97.2	-20.1	-175.5	61.2	-8.4	0	0	0	114.1
138	K	89.3	Confident	90.6	Very high	77 Å²	77	74.5 Å²	74.5	34%	0.335	37%	0.37	S	S	.	.			trans	-103.8	94.5	-177.1	-168.3	169.9	-174.7	177.5	0	112.3	I135 R140 L141 E145 R164	I135-K138 HydrophobicContact CG2-CB 3.81Å; K138-R140 VanDerWaalsContact CE-O 3.3Å; K138-R140 WeakPolarHBondContact CE-O 3.19Å; K138-R140 VanDerWaalsContact CG-O 3.29Å; K138-R140 WeakPolarHBondContact CG-O 3.32Å; K138-L141 HydrophobicContact CD-CD2 4.45Å; K138-L141 HydrophobicContact CG-CD2 4.22Å; K138-E145 WeakPolarHBondContact CE-OE1 3.44Å; K138-E145 WeakPolarHBondContact CE-OE2 3.49Å; K138-E145 IonicContact NZ-OE1 3.18Å; K138-E145 PolarHBondContact NZ-OE1 3.37Å; K138-E145 IonicContact NZ-OE2 2.61Å; K138-E145 PolarHBondContact NZ-OE2 3.37Å; K138-R164 PolarHBondContact O-NH2 2.9Å
139	T	92.6	Very high	90.5	Very high	25 Å²	25	74.8 Å²	74.8	15%	0.153	37%	0.372	C	S	.	.			trans	-87.9	-31.1	178.4	70	0	0	0	0	113.6	H165 H167 Y248 Q252	T139-H165 HydrophobicContact CG2-CB 4.32Å; T139-H167 PolarHBondContact O-N 3.37Å; T139-H167 VanDerWaalsContact O-N 3.13Å; T139-H167 PolarHBondContact OG1-CD2 2.99Å; T139-H167 PolarHBondContact OG1-NE2 2.89Å; T139-Y248 WeakPolarHBondContact CG2-OH 3.33Å; T139-Q252 PolarHBondContact O-NE2 3.41Å; T139-Q252 VanDerWaalsContact O-NE2 3.09Å
140	R	93.4	Very high	90.4	Very high	137 Å²	137	71.7 Å²	71.7	52%	0.517	36%	0.356	S	S	.	.	S	Bend	trans	-93.4	129.4	178	-57.5	173.4	-174.4	174	-2.2	109.2	K138	K138-R140 VanDerWaalsContact CE-O 3.3Å; K138-R140 WeakPolarHBondContact CE-O 3.19Å; K138-R140 VanDerWaalsContact CG-O 3.29Å; K138-R140 WeakPolarHBondContact CG-O 3.32Å
141	L	94.1	Very high	90.2	Very high	13 Å²	13	75 Å²	75	7%	0.068	37%	0.368	C	S	.	.			trans	-123.1	136.6	-173	-61.4	-179.9	0	0	0	111.7	K138 E145 Q146 L149 V166 M169	K138-L141 HydrophobicContact CD-CD2 4.45Å; K138-L141 HydrophobicContact CG-CD2 4.22Å; L141-E145 HydrophobicContact CB-CB 4.15Å; L141-E145 HydrophobicContact CD2-CB 4.26Å; L141-Q146 HydrophobicContact CB-CG 3.62Å; L141-Q146 HydrophobicContact CD1-CG 4.35Å; L141-Q146 PolarHBondContact O-NE2 2.96Å; L141-L149 HydrophobicContact CD1-CD2 3.43Å; L141-L149 VanDerWaalsContact CD1-CD2 3.43Å; L141-V166 HydrophobicContact CD1-CG2 3.66Å; L141-V166 HydrophobicContact CG-CG2 4.19Å; L141-M169 HydrophobicContact CD1-SD 3.88Å
142	M	93.9	Very high	90.1	Very high	128 Å²	128	77.1 Å²	77.1	63%	0.631	38%	0.378	S	S	*	.			trans	-68.4	160.6	169	-59.8	-169.2	-63.9	0	0	110.6	Q144 E145 Q146	M142-Q144 VanDerWaalsContact C-N 3.28Å; M142-Q144 PolarHBondContact O-N 3.07Å; M142-E145 HydrophobicContact CB-CG 4.24Å; M142-E145 WeakPolarHBondContact CB-OE2 3.47Å; M142-E145 HydrophobicContact CE-CG 4.46Å; M142-E145 WeakPolarHBondContact CG-OE2 3.3Å; M142-E145 PolarHBondContact N-OE2 2.97Å; M142-E145 WeakPolarHBondContact O-CB 3.27Å; M142-E145 PolarHBondContact O-N 2.98Å; M142-Q146 WeakPolarHBondContact O-CG 3.38Å; M142-Q146 PolarHBondContact O-N 3.26Å
143	K	92	Very high	90.3	Very high	173 Å²	173	75 Å²	75	75%	0.752	36%	0.363	S	S	*	.	H	α-helix	trans	-54	-42.5	-175.4	-171.7	177.9	179.7	-178	0	112.8	Q146 V147	K143-Q146 PolarHBondContact O-N 3.45Å; K143-V147 WeakPolarHBondContact O-CG2 3.2Å; K143-V147 PolarHBondContact O-N 3.4Å; K143-V147 VanDerWaalsContact O-N 3.16Å
144	Q	93.8	Very high	90.7	Very high	116 Å²	116	76.5 Å²	76.5	54%	0.542	37%	0.373	S	S	.	.	H	α-helix	trans	-63.8	-46.1	176.4	-175.2	55.5	40.8	0	0	111.9	M142 Q146 V147 D148	M142-Q144 VanDerWaalsContact C-N 3.28Å; M142-Q144 PolarHBondContact O-N 3.07Å; Q144-Q146 VanDerWaalsContact C-N 3.26Å; Q144-Q146 PolarHBondContact O-N 2.81Å; Q144-V147 WeakPolarHBondContact O-CB 3.31Å; Q144-V147 PolarHBondContact O-N 2.67Å; Q144-D148 WeakPolarHBondContact CG-OD2 3.46Å; Q144-D148 VanDerWaalsContact NE2-CG 3.28Å; Q144-D148 PolarHBondContact NE2-OD1 3.29Å; Q144-D148 PolarHBondContact NE2-OD2 2.87Å; Q144-D148 PolarHBondContact O-N 2.89Å
145	E	94.6	Very high	91.4	Very high	53 Å²	53	76.9 Å²	76.9	25%	0.248	37%	0.368	C	S	.	.	H	α-helix	trans	-63.9	-30.3	178.6	-56.6	-179.6	104	0	0	113	K138 L141 M142 L149	K138-E145 WeakPolarHBondContact CE-OE1 3.44Å; K138-E145 WeakPolarHBondContact CE-OE2 3.49Å; K138-E145 IonicContact NZ-OE1 3.18Å; K138-E145 PolarHBondContact NZ-OE1 3.37Å; K138-E145 IonicContact NZ-OE2 2.61Å; K138-E145 PolarHBondContact NZ-OE2 3.37Å; L141-E145 HydrophobicContact CB-CB 4.15Å; L141-E145 HydrophobicContact CD2-CB 4.26Å; M142-E145 HydrophobicContact CB-CG 4.24Å; M142-E145 WeakPolarHBondContact CB-OE2 3.47Å; M142-E145 HydrophobicContact CE-CG 4.46Å; M142-E145 WeakPolarHBondContact CG-OE2 3.3Å; M142-E145 PolarHBondContact N-OE2 2.97Å; M142-E145 WeakPolarHBondContact O-CB 3.27Å; M142-E145 PolarHBondContact O-N 2.98Å; E145-L149 WeakPolarHBondContact O-CB 3.34Å; E145-L149 PolarHBondContact O-N 3.02Å
146	Q	94.9	Very high	92.1	Very high	34 Å²	34	74.3 Å²	74.3	16%	0.159	36%	0.355	C	S	.	.	H	α-helix	trans	-67.1	-46	171.4	-65.4	174.2	41.2	0	0	110.8	L141 M142 K143 Q144 D148 L149 V150 M169 F174 Q252	L141-Q146 HydrophobicContact CB-CG 3.62Å; L141-Q146 HydrophobicContact CD1-CG 4.35Å; L141-Q146 PolarHBondContact O-NE2 2.96Å; M142-Q146 WeakPolarHBondContact O-CG 3.38Å; M142-Q146 PolarHBondContact O-N 3.26Å; K143-Q146 PolarHBondContact O-N 3.45Å; Q144-Q146 VanDerWaalsContact C-N 3.26Å; Q144-Q146 PolarHBondContact O-N 2.81Å; Q146-D148 PolarHBondContact O-N 3.44Å; Q146-L149 PolarHBondContact O-N 3.34Å; Q146-V150 VanDerWaalsContact O-CB 3.31Å; Q146-V150 WeakPolarHBondContact O-CB 3.4Å; Q146-V150 VanDerWaalsContact O-CG2 3.24Å; Q146-V150 WeakPolarHBondContact O-CG2 3.22Å; Q146-V150 PolarHBondContact O-N 2.84Å; Q146-M169 HydrophobicContact CG-SD 4.33Å; Q146-F174 HydrophobicContact CB-CE1 4.47Å; Q146-F174 HydrophobicContact CB-CZ 3.8Å; Q146-Q252 HydrophobicContact CG-CG 4.37Å
147	V	94.2	Very high	93.1	Very high	31 Å²	31	72.5 Å²	72.5	19%	0.188	35%	0.354	C	S	.	.	H	α-helix	trans	-58.3	-47.6	175.6	172.6	0	0	0	0	110.9	K143 Q144 K151 F174	K143-V147 WeakPolarHBondContact O-CG2 3.2Å; K143-V147 PolarHBondContact O-N 3.4Å; K143-V147 VanDerWaalsContact O-N 3.16Å; Q144-V147 WeakPolarHBondContact O-CB 3.31Å; Q144-V147 PolarHBondContact O-N 2.67Å; V147-K151 HydrophobicContact CG1-CD 3.89Å; V147-K151 HydrophobicContact CG1-CG 4.45Å; V147-K151 WeakPolarHBondContact O-CB 3.47Å; V147-K151 VanDerWaalsContact O-CG 3.27Å; V147-K151 WeakPolarHBondContact O-CG 3.46Å; V147-K151 PolarHBondContact O-N 2.63Å; V147-F174 HydrophobicContact CG2-CD1 3.82Å; V147-F174 HydrophobicContact CG2-CE1 3.57Å
148	D	93.9	Very high	93.8	Very high	62 Å²	62	71.4 Å²	71.4	33%	0.332	35%	0.345	S	S	.	.	H	α-helix	trans	-68.5	-40.8	-177.6	-62.6	-32.4	0	0	0	111.6	Q144 Q146 N152	Q144-D148 WeakPolarHBondContact CG-OD2 3.46Å; Q144-D148 VanDerWaalsContact NE2-CG 3.28Å; Q144-D148 PolarHBondContact NE2-OD1 3.29Å; Q144-D148 PolarHBondContact NE2-OD2 2.87Å; Q144-D148 PolarHBondContact O-N 2.89Å; Q146-D148 PolarHBondContact O-N 3.44Å; D148-N152 VanDerWaalsContact O-CB 3.29Å; D148-N152 WeakPolarHBondContact O-CB 3.39Å; D148-N152 PolarHBondContact O-N 3.36Å; D148-N152 PolarHBondContact O-ND2 2.84Å
149	L	94.3	Very high	94.1	Very high	15 Å²	15	69.5 Å²	69.5	8%	0.079	34%	0.341	C	S	.	.	H	α-helix	trans	-64.2	-46.7	175.8	178.9	56.6	0	0	0	112.1	L141 E145 Q146 N152 I153 Y162 V166 M169	L141-L149 HydrophobicContact CD1-CD2 3.43Å; L141-L149 VanDerWaalsContact CD1-CD2 3.43Å; E145-L149 WeakPolarHBondContact O-CB 3.34Å; E145-L149 PolarHBondContact O-N 3.02Å; Q146-L149 PolarHBondContact O-N 3.34Å; L149-N152 PolarHBondContact O-N 3.46Å; L149-I153 HydrophobicContact CD1-CD1 3.81Å; L149-I153 HydrophobicContact CD1-CG1 4.19Å; L149-I153 HydrophobicContact CG-CD1 3.92Å; L149-I153 WeakPolarHBondContact O-CG1 3.47Å; L149-I153 PolarHBondContact O-N 3.26Å; L149-Y162 HydrophobicContact CD1-CE1 4.48Å; L149-Y162 VanDerWaalsContact CD1-OH 3.3Å; L149-Y162 WeakPolarHBondContact CD1-OH 3.49Å; L149-V166 HydrophobicContact CD2-CG2 4.3Å; L149-M169 HydrophobicContact CD2-CE 3.53Å; L149-M169 HydrophobicContact CD2-SD 3.9Å; L149-M169 HydrophobicContact CG-CE 3.95Å
150	V	94.6	Very high	94.3	Very high	1 Å²	1	68.4 Å²	68.4	1%	0.006	33%	0.334	C	S	.	.	H	α-helix	trans	-61	-49.6	177.5	166.6	0	0	0	0	110.2	Q146 N152 I153 S154 M169 F171 F174 I176	Q146-V150 VanDerWaalsContact O-CB 3.31Å; Q146-V150 WeakPolarHBondContact O-CB 3.4Å; Q146-V150 VanDerWaalsContact O-CG2 3.24Å; Q146-V150 WeakPolarHBondContact O-CG2 3.22Å; Q146-V150 PolarHBondContact O-N 2.84Å; V150-N152 VanDerWaalsContact C-N 3.28Å; V150-N152 PolarHBondContact O-N 3.33Å; V150-I153 PolarHBondContact O-N 3.47Å; V150-I153 VanDerWaalsContact O-N 3.15Å; V150-S154 PolarHBondContact O-N 2.71Å; V150-S154 PolarHBondContact O-OG 2.93Å; V150-S154 VanDerWaalsContact O-OG 3.08Å; V150-M169 HydrophobicContact CG2-CE 4.36Å; V150-F171 HydrophobicContact CB-CE1 4.27Å; V150-F171 HydrophobicContact CB-CZ 4.48Å; V150-F171 HydrophobicContact CG1-CD1 3.72Å; V150-F171 HydrophobicContact CG1-CE1 3.87Å; V150-F171 HydrophobicContact CG1-CG 4.23Å; V150-F171 HydrophobicContact CG2-CD1 4.32Å; V150-F171 HydrophobicContact CG2-CD2 4.17Å; V150-F171 HydrophobicContact CG2-CE1 4.11Å; V150-F171 HydrophobicContact CG2-CE2 3.96Å; V150-F171 HydrophobicContact CG2-CG 4.33Å; V150-F171 HydrophobicContact CG2-CZ 3.92Å; V150-F174 HydrophobicContact CB-CD2 4.48Å; V150-F174 HydrophobicContact CG1-CB 4.15Å; V150-F174 HydrophobicContact CG1-CD2 4.31Å; V150-F174 HydrophobicContact CG1-CG 4.36Å; V150-F174 HydrophobicContact CG2-CD2 3.96Å; V150-F174 HydrophobicContact CG2-CE2 4.12Å; V150-I176 HydrophobicContact CG1-CB 4.41Å; V150-I176 HydrophobicContact CG1-CD1 3.5Å; V150-I176 VanDerWaalsContact CG1-CD1 3.5Å; V150-I176 HydrophobicContact CG1-CG2 4.44Å
151	K	93.3	Very high	94.5	Very high	111 Å²	111	61.9 Å²	61.9	48%	0.483	31%	0.309	S	S	.	.	H	α-helix	trans	-57.9	-36.7	175.6	-77	175.5	178.5	175.3	0	113.4	V147 K155	V147-K151 HydrophobicContact CG1-CD 3.89Å; V147-K151 HydrophobicContact CG1-CG 4.45Å; V147-K151 WeakPolarHBondContact O-CB 3.47Å; V147-K151 VanDerWaalsContact O-CG 3.27Å; V147-K151 WeakPolarHBondContact O-CG 3.46Å; V147-K151 PolarHBondContact O-N 2.63Å; K151-K155 WeakPolarHBondContact O-CG 3.4Å
152	N	94.4	Very high	94.7	Very high	95 Å²	95	61.9 Å²	61.9	51%	0.508	31%	0.308	S	S	.	.	H	α-helix	trans	-73.8	-35.5	178.7	-72.6	-20	0	0	0	112	D148 L149 V150 K155	D148-N152 VanDerWaalsContact O-CB 3.29Å; D148-N152 WeakPolarHBondContact O-CB 3.39Å; D148-N152 PolarHBondContact O-N 3.36Å; D148-N152 PolarHBondContact O-ND2 2.84Å; L149-N152 PolarHBondContact O-N 3.46Å; V150-N152 VanDerWaalsContact C-N 3.28Å; V150-N152 PolarHBondContact O-N 3.33Å; N152-K155 PolarHBondContact O-N 2.96Å
153	I	95.4	Very high	94.8	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-66.9	-42.5	173.8	-68.4	165.5	0	0	0	110.8	I103 L149 V150 K155 I156 F160 Y162 F171	I103-I153 HydrophobicContact CD1-CD1 4.27Å; I103-I153 HydrophobicContact CD1-CG2 4.28Å; L149-I153 HydrophobicContact CD1-CD1 3.81Å; L149-I153 HydrophobicContact CD1-CG1 4.19Å; L149-I153 HydrophobicContact CG-CD1 3.92Å; L149-I153 WeakPolarHBondContact O-CG1 3.47Å; L149-I153 PolarHBondContact O-N 3.26Å; V150-I153 PolarHBondContact O-N 3.47Å; V150-I153 VanDerWaalsContact O-N 3.15Å; I153-K155 PolarHBondContact O-N 3.44Å; I153-K155 VanDerWaalsContact O-N 3.1Å; I153-I156 HydrophobicContact CB-CD1 4.44Å; I153-I156 HydrophobicContact CG1-CD1 4.5Å; I153-I156 HydrophobicContact CG2-CD1 4.38Å; I153-I156 WeakPolarHBondContact O-CB 3.12Å; I153-I156 VanDerWaalsContact O-CG1 3.31Å; I153-I156 WeakPolarHBondContact O-CG1 3.17Å; I153-I156 PolarHBondContact O-N 3.33Å; I153-F160 HydrophobicContact CG2-CE2 3.87Å; I153-F160 HydrophobicContact CG2-CZ 3.82Å; I153-Y162 HydrophobicContact CD1-CD1 3.69Å; I153-Y162 HydrophobicContact CD1-CD2 4.36Å; I153-Y162 HydrophobicContact CD1-CE1 3.64Å; I153-Y162 HydrophobicContact CD1-CE2 4.31Å; I153-Y162 HydrophobicContact CD1-CG 4.06Å; I153-Y162 HydrophobicContact CG1-CD1 4.13Å; I153-Y162 HydrophobicContact CG1-CD2 3.89Å; I153-Y162 HydrophobicContact CG1-CE1 4.19Å; I153-Y162 HydrophobicContact CG1-CE2 3.94Å; I153-Y162 HydrophobicContact CG1-CG 3.98Å; I153-F171 HydrophobicContact CB-CE1 4.24Å; I153-F171 HydrophobicContact CB-CZ 4.32Å; I153-F171 HydrophobicContact CD1-CZ 3.9Å; I153-F171 HydrophobicContact CG2-CE1 4Å; I153-F171 HydrophobicContact CG2-CZ 4.12Å
154	S	93.4	Very high	95	Very high	53 Å²	53	48.1 Å²	48.1	37%	0.371	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-13.1	178	-56.2	0	0	0	0	115.1	V150 I176	V150-S154 PolarHBondContact O-N 2.71Å; V150-S154 PolarHBondContact O-OG 2.93Å; V150-S154 VanDerWaalsContact O-OG 3.08Å; S154-I176 VanDerWaalsContact OG-CG2 3.28Å; S154-I176 WeakPolarHBondContact OG-CG2 3.46Å
155	K	94.8	Very high	95	Very high	157 Å²	157	44.1 Å²	44.1	68%	0.683	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-7.7	174.9	-70.7	170	-176.1	176.3	0	113.4	K151 N152 I153	K151-K155 WeakPolarHBondContact O-CG 3.4Å; N152-K155 PolarHBondContact O-N 2.96Å; I153-K155 PolarHBondContact O-N 3.44Å; I153-K155 VanDerWaalsContact O-N 3.1Å
156	I	95.6	Very high	95.1	Very high	24 Å²	24	41.6 Å²	41.6	12%	0.123	21%	0.214	C	C	.	.	S	Bend	trans	-73.3	128	-177.3	-56.5	168.7	0	0	0	108.9	N129 V131 I153 Q158 F160 Y162	N129-I156 HydrophobicContact CB-CG2 4.12Å; V131-I156 HydrophobicContact CB-CD1 4.03Å; V131-I156 HydrophobicContact CG1-CD1 4.13Å; V131-I156 HydrophobicContact CG2-CD1 3.95Å; V131-I156 HydrophobicContact CG2-CG1 4.33Å; V131-I156 HydrophobicContact CG2-CG2 3.83Å; I153-I156 HydrophobicContact CB-CD1 4.44Å; I153-I156 HydrophobicContact CG1-CD1 4.5Å; I153-I156 HydrophobicContact CG2-CD1 4.38Å; I153-I156 WeakPolarHBondContact O-CB 3.12Å; I153-I156 VanDerWaalsContact O-CG1 3.31Å; I153-I156 WeakPolarHBondContact O-CG1 3.17Å; I153-I156 PolarHBondContact O-N 3.33Å; I156-Q158 PolarHBondContact O-N 3.37Å; I156-F160 HydrophobicContact CB-CB 4.31Å; I156-F160 HydrophobicContact CB-CD1 3.91Å; I156-F160 HydrophobicContact CB-CE1 4.37Å; I156-F160 HydrophobicContact CB-CG 4.04Å; I156-F160 HydrophobicContact CD1-CD2 4.41Å; I156-F160 HydrophobicContact CG2-CB 3.47Å; I156-F160 VanDerWaalsContact CG2-CB 3.47Å; I156-F160 HydrophobicContact CG2-CD1 4Å; I156-F160 HydrophobicContact CG2-CD2 4.47Å; I156-F160 HydrophobicContact CG2-CG 3.76Å; I156-Y162 HydrophobicContact CD1-CD2 3.87Å
157	P	94.9	Very high	95.3	Very high	89 Å²	89	40.4 Å²	40.4	58%	0.578	21%	0.209	S	C	*	.	P	Polyproline II helix	trans	-60.6	134.3	176.9	-22.6	33.4	0	0	0	111.9	N129	N129-P157 PolarHBondContact ND2-O 3.31Å
158	Q	93.1	Very high	95.5	Very high	103 Å²	103	39.3 Å²	39.3	48%	0.481	20%	0.201	S	C	.	.	S	Bend	trans	-82.4	150.7	178.4	-60.5	-175.5	24.5	0	0	111.5	S100 Q101 I156 F160	S100-Q158 PolarHBondContact OG-OE1 3.03Å; Q101-Q158 VanDerWaalsContact CG-CD 3.48Å; Q101-Q158 HydrophobicContact CG-CG 3.99Å; I156-Q158 PolarHBondContact O-N 3.37Å; Q158-F160 HydrophobicContact CG-CD1 4.03Å; Q158-F160 HydrophobicContact CG-CE1 4.22Å
159	P	95.3	Very high	95.5	Very high	38 Å²	38	36.6 Å²	36.6	25%	0.247	19%	0.187	C	C	.	.	S	Bend	cis	-73.9	141	-5.8	30.6	-34	0	0	0	111.9	L96 S100 F128 N129 Y298	L96-P159 HydrophobicContact CD1-CB 4.27Å; S100-P159 WeakPolarHBondContact O-CA 3.25Å; F128-P159 HydrophobicContact CB-CB 4.41Å; F128-P159 HydrophobicContact CB-CG 4.01Å; N129-P159 PolarHBondContact N-O 2.95Å; P159-Y298 HydrophobicContact CB-CE1 4.44Å
160	F	96.8	Very high	95.6	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	153.4	177.6	73.5	-104.1	0	0	0	113.5	S100 Q101 V102 N129 I153 I156 Q158 Y298	S100-F160 PolarHBondContact O-N 3.06Å; Q101-F160 HydrophobicContact CB-CE1 3.99Å; Q101-F160 HydrophobicContact CB-CE2 4.45Å; Q101-F160 HydrophobicContact CB-CZ 3.8Å; Q101-F160 HydrophobicContact CG-CD1 4.45Å; Q101-F160 HydrophobicContact CG-CE1 3.71Å; Q101-F160 HydrophobicContact CG-CZ 4.03Å; V102-F160 PolarHBondContact N-O 2.99Å; V102-F160 VanDerWaalsContact N-O 3.12Å; N129-F160 HydrophobicContact CB-CB 3.97Å; N129-F160 CarbonylContact O-C 3.55Å; N129-F160 VanDerWaalsContact O-CA 3.24Å; N129-F160 WeakPolarHBondContact O-CA 3.15Å; N129-F160 WeakPolarHBondContact O-CB 3.48Å; I153-F160 HydrophobicContact CG2-CE2 3.87Å; I153-F160 HydrophobicContact CG2-CZ 3.82Å; I156-F160 HydrophobicContact CB-CB 4.31Å; I156-F160 HydrophobicContact CB-CD1 3.91Å; I156-F160 HydrophobicContact CB-CE1 4.37Å; I156-F160 HydrophobicContact CB-CG 4.04Å; I156-F160 HydrophobicContact CD1-CD2 4.41Å; I156-F160 HydrophobicContact CG2-CB 3.47Å; I156-F160 VanDerWaalsContact CG2-CB 3.47Å; I156-F160 HydrophobicContact CG2-CD1 4Å; I156-F160 HydrophobicContact CG2-CD2 4.47Å; I156-F160 HydrophobicContact CG2-CG 3.76Å; Q158-F160 HydrophobicContact CG-CD1 4.03Å; Q158-F160 HydrophobicContact CG-CE1 4.22Å; F160-Y298 PolarHBondContact N-OH 3.26Å; F160-Y298 PolarHBondContact O-OH 3.43Å
161	L	97.9	Very high	95.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	114.1	165.9	-166.2	158.9	0	0	0	108.8	V102 L119 F128 N129 L130 V131 I182 Y298 F299	V102-L161 HydrophobicContact CB-CB 4.42Å; V102-L161 HydrophobicContact CB-CD1 4.4Å; V102-L161 HydrophobicContact CB-CG 4.05Å; V102-L161 HydrophobicContact CG1-CD1 4.05Å; V102-L161 HydrophobicContact CG1-CG 3.96Å; V102-L161 CarbonylContact O-C 3.5Å; V102-L161 WeakPolarHBondContact O-CA 3.45Å; L119-L161 HydrophobicContact CD1-CD1 4.33Å; L119-L161 HydrophobicContact CD1-CD2 3.87Å; L119-L161 HydrophobicContact CD2-CD1 3.72Å; F128-L161 HydrophobicContact CD2-CB 4.25Å; F128-L161 HydrophobicContact CE2-CB 3.91Å; N129-L161 PolarHBondContact O-N 3.14Å; L130-L161 HydrophobicContact CD1-CB 4.39Å; L130-L161 HydrophobicContact CD1-CD2 3.92Å; V131-L161 PolarHBondContact N-O 2.83Å; L161-I182 HydrophobicContact CD1-CD1 4.43Å; L161-Y298 HydrophobicContact CB-CD1 4.21Å; L161-Y298 HydrophobicContact CB-CE1 3.93Å; L161-Y298 HydrophobicContact CD1-CD1 4.31Å; L161-F299 HydrophobicContact CD1-CE2 4.39Å; L161-F299 HydrophobicContact CD1-CZ 4.11Å
162	Y	97.6	Very high	95.6	Very high	13 Å²	13	36.3 Å²	36.3	5%	0.051	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.4	178.9	-178.7	-93.5	0	0	0	110.9	V102 I103 Y104 V131 S133 L149 I153 I156 R164	V102-Y162 PolarHBondContact O-N 3.01Å; I103-Y162 HydrophobicContact CG2-CD1 4.45Å; Y104-Y162 PolarHBondContact N-O 3.31Å; V131-Y162 HydrophobicContact CB-CD2 4Å; V131-Y162 HydrophobicContact CG1-CD2 3.8Å; V131-Y162 HydrophobicContact CG1-CE2 3.97Å; V131-Y162 CarbonylContact O-C 3.56Å; V131-Y162 WeakPolarHBondContact O-CA 3.25Å; S133-Y162 WeakPolarHBondContact CB-OH 3.43Å; L149-Y162 HydrophobicContact CD1-CE1 4.48Å; L149-Y162 VanDerWaalsContact CD1-OH 3.3Å; L149-Y162 WeakPolarHBondContact CD1-OH 3.49Å; I153-Y162 HydrophobicContact CD1-CD1 3.69Å; I153-Y162 HydrophobicContact CD1-CD2 4.36Å; I153-Y162 HydrophobicContact CD1-CE1 3.64Å; I153-Y162 HydrophobicContact CD1-CE2 4.31Å; I153-Y162 HydrophobicContact CD1-CG 4.06Å; I153-Y162 HydrophobicContact CG1-CD1 4.13Å; I153-Y162 HydrophobicContact CG1-CD2 3.89Å; I153-Y162 HydrophobicContact CG1-CE1 4.19Å; I153-Y162 HydrophobicContact CG1-CE2 3.94Å; I153-Y162 HydrophobicContact CG1-CG 3.98Å; I156-Y162 HydrophobicContact CD1-CD2 3.87Å; Y162-R164 HydrophobicContact CE1-CB 3.64Å; Y162-R164 WeakPolarHBondContact OH-CD 3.2Å
163	T	96.4	Very high	95.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	128.3	180	-177.7	0	0	0	0	114	Y104 R106 V116 L130 V131 S132 S133	Y104-T163 WeakPolarHBondContact O-CA 3.18Å; Y104-T163 PolarHBondContact O-OG1 3.48Å; R106-T163 WeakPolarHBondContact CD-OG1 3.4Å; R106-T163 VanDerWaalsContact NH1-CG2 3.29Å; R106-T163 PolarHBondContact NH1-OG1 3.08Å; V116-T163 HydrophobicContact CG2-CG2 4.32Å; L130-T163 HydrophobicContact CD1-CG2 4.24Å; V131-T163 PolarHBondContact O-N 3.29Å; S132-T163 WeakPolarHBondContact CA-O 3.37Å; S133-T163 PolarHBondContact N-O 3.3Å
164	R	95.4	Very high	95.4	Very high	12 Å²	12	43.5 Å²	43.5	5%	0.045	22%	0.215	C	C	.	.			trans	-156.2	151.5	179.2	-177.5	175.7	169.3	165.9	-2.5	111.2	Y104 N105 R106 I135 K138 Y162 V166	Y104-R164 PolarHBondContact O-N 2.72Å; N105-R164 CarbonylContact C-O 3.59Å; N105-R164 VanDerWaalsContact C-O 3.31Å; N105-R164 WeakPolarHBondContact CA-O 3.32Å; R106-R164 PolarHBondContact N-O 3.21Å; R106-R164 VanDerWaalsContact N-O 3.1Å; I135-R164 VanDerWaalsContact CG2-NH2 3.35Å; K138-R164 PolarHBondContact O-NH2 2.9Å; Y162-R164 HydrophobicContact CE1-CB 3.64Å; Y162-R164 WeakPolarHBondContact OH-CD 3.2Å; R164-V166 HydrophobicContact CB-CB 4.48Å; R164-V166 HydrophobicContact CB-CG1 4.11Å; R164-V166 HydrophobicContact CG-CB 4.06Å; R164-V166 HydrophobicContact CG-CG1 4.23Å; R164-V166 PolarHBondContact O-N 2.9Å; R164-V166 VanDerWaalsContact O-N 3.17Å
165	H	95.4	Very high	95.3	Very high	32 Å²	32	52.6 Å²	52.6	15%	0.148	24%	0.241	C	C	.	.	S	Bend	trans	-75.8	92.9	163	-63.7	-65	0	0	0	109.2	R106 T139	R106-H165 PolarHBondContact NE-CE1 3.5Å; R106-H165 PolarHBondContact NE-NE2 2.94Å; R106-H165 PolarHBondContact O-ND1 3.41Å; T139-H165 HydrophobicContact CG2-CB 4.32Å
166	V	96.8	Very high	95.2	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	22%	0.22	C	C	.	.			trans	-149.4	143	-176.9	67.9	0	0	0	0	109.9	N105 L141 L149 R164 M169 Y248	N105-V166 HydrophobicContact CB-CG1 4.02Å; N105-V166 WeakPolarHBondContact CB-O 3.48Å; N105-V166 PolarHBondContact ND2-O 3.01Å; L141-V166 HydrophobicContact CD1-CG2 3.66Å; L141-V166 HydrophobicContact CG-CG2 4.19Å; L149-V166 HydrophobicContact CD2-CG2 4.3Å; R164-V166 HydrophobicContact CB-CB 4.48Å; R164-V166 HydrophobicContact CB-CG1 4.11Å; R164-V166 HydrophobicContact CG-CB 4.06Å; R164-V166 HydrophobicContact CG-CG1 4.23Å; R164-V166 PolarHBondContact O-N 2.9Å; R164-V166 VanDerWaalsContact O-N 3.17Å; V166-M169 HydrophobicContact CG2-SD 4.5Å; V166-Y248 WeakPolarHBondContact O-CD1 3.43Å
167	H	97.6	Very high	95	Very high	8 Å²	8	52.5 Å²	52.5	4%	0.037	24%	0.244	C	C	.	.			trans	-69.7	153.8	172.5	-56.1	-173.1	0	0	0	110.4	T139 P247 G251 Q252	T139-H167 PolarHBondContact O-N 3.37Å; T139-H167 VanDerWaalsContact O-N 3.13Å; T139-H167 PolarHBondContact OG1-CD2 2.99Å; T139-H167 PolarHBondContact OG1-NE2 2.89Å; H167-P247 WeakPolarHBondContact CB-O 3.32Å; H167-P247 VanDerWaalsContact CG-O 3.25Å; H167-P247 PolarHBondContact ND1-O 3.49Å; H167-G251 WeakPolarHBondContact CB-O 3.17Å; H167-G251 PolarHBondContact ND1-O 3.02Å; H167-G251 VanDerWaalsContact ND1-O 3.1Å; H167-Q252 PolarHBondContact O-NE2 2.85Å; H167-Q252 VanDerWaalsContact O-NE2 3.16Å
168	F	98	Very high	95	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.035	23%	0.226	C	C	.	.			trans	-46.3	138.7	177.7	174.5	-105.9	0	0	0	112.6	N105 N170 Y181 Y248 F249 G251 Q252 N270 N274 Y275	N105-F168 PolarHBondContact ND2-N 3.07Å; F168-N170 HydrophobicContact CE1-CB 4.05Å; F168-N170 HydrophobicContact CZ-CB 4.12Å; F168-Y181 HydrophobicContact CD2-CD1 4.02Å; F168-Y181 HydrophobicContact CD2-CD2 4.46Å; F168-Y181 AromaticContact CD2-CE1 3.8Å; F168-Y181 HydrophobicContact CD2-CE1 3.8Å; F168-Y181 HydrophobicContact CD2-CE2 4.3Å; F168-Y181 HydrophobicContact CD2-CG 4.34Å; F168-Y181 AromaticContact CD2-CZ 3.96Å; F168-Y181 HydrophobicContact CE2-CD2 4.16Å; F168-Y181 HydrophobicContact CE2-CE1 4.38Å; F168-Y181 HydrophobicContact CE2-CE2 4.06Å; F168-Y181 HydrophobicContact CE2-CG 4.4Å; F168-Y248 WeakPolarHBondContact CB-O 3.34Å; F168-Y248 PolarHBondContact N-O 2.97Å; F168-F249 WeakPolarHBondContact CB-O 3.45Å; F168-G251 WeakPolarHBondContact O-CA 3.42Å; F168-Q252 PolarHBondContact O-N 3.05Å; F168-N270 HydrophobicContact CD1-CB 4.12Å; F168-N270 WeakPolarHBondContact CD1-ND2 3.21Å; F168-N270 HydrophobicContact CE1-CB 4.12Å; F168-N274 HydrophobicContact CE2-CB 3.7Å; F168-N274 HydrophobicContact CZ-CB 3.81Å; F168-N274 VanDerWaalsContact CZ-CG 3.45Å; F168-Y275 AromaticContact CD2-CE2 3.77Å; F168-Y275 HydrophobicContact CD2-CE2 3.77Å; F168-Y275 HydrophobicContact CE2-CE2 4.26Å; F168-Y275 HydrophobicContact CG-CE2 4.38Å
169	M	95.6	Very high	95.1	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.025	20%	0.204	C	C	.	.			trans	-130.3	129.9	176.4	-62	-178.9	-57.6	0	0	107.6	L141 Q146 L149 V150 V166 F171 Y181 Q252	L141-M169 HydrophobicContact CD1-SD 3.88Å; Q146-M169 HydrophobicContact CG-SD 4.33Å; L149-M169 HydrophobicContact CD2-CE 3.53Å; L149-M169 HydrophobicContact CD2-SD 3.9Å; L149-M169 HydrophobicContact CG-CE 3.95Å; V150-M169 HydrophobicContact CG2-CE 4.36Å; V166-M169 HydrophobicContact CG2-SD 4.5Å; M169-F171 HydrophobicContact CB-CD2 4.49Å; M169-F171 HydrophobicContact CB-CE2 4.32Å; M169-F171 HydrophobicContact CE-CE2 4.05Å; M169-F171 HydrophobicContact CE-CZ 4.45Å; M169-Y181 PolarHBondContact O-OH 3.34Å; M169-Q252 HydrophobicContact CG-CG 3.96Å
170	N	95.1	Very high	95.1	Very high	38 Å²	38	45.6 Å²	45.6	20%	0.203	20%	0.203	C	C	.	.			trans	-86.1	118.4	171.4	174.5	-46	0	0	0	108	F168 T172 R173 F174	F168-N170 HydrophobicContact CE1-CB 4.05Å; F168-N170 HydrophobicContact CZ-CB 4.12Å; N170-T172 PolarHBondContact OD1-N 2.75Å; N170-T172 PolarHBondContact OD1-OG1 2.88Å; N170-R173 HydrophobicContact CB-CG 4.24Å; N170-R173 PolarHBondContact OD1-N 2.9Å; N170-F174 WeakPolarHBondContact O-CD2 3.28Å; N170-F174 WeakPolarHBondContact O-CE2 3.37Å
171	F	95.4	Very high	95.2	Very high	3 Å²	3	45.6 Å²	45.6	1%	0.013	20%	0.203	C	C	.	.	S	Bend	trans	-79.5	-27.9	-177.7	-82.4	-128.5	0	0	0	111.8	I103 V150 I153 M169 R173 F174 I176 P179 Y181	I103-F171 HydrophobicContact CD1-CE1 4.31Å; I103-F171 HydrophobicContact CD1-CE2 3.68Å; I103-F171 HydrophobicContact CD1-CZ 3.44Å; I103-F171 VanDerWaalsContact CD1-CZ 3.44Å; V150-F171 HydrophobicContact CB-CE1 4.27Å; V150-F171 HydrophobicContact CB-CZ 4.48Å; V150-F171 HydrophobicContact CG1-CD1 3.72Å; V150-F171 HydrophobicContact CG1-CE1 3.87Å; V150-F171 HydrophobicContact CG1-CG 4.23Å; V150-F171 HydrophobicContact CG2-CD1 4.32Å; V150-F171 HydrophobicContact CG2-CD2 4.17Å; V150-F171 HydrophobicContact CG2-CE1 4.11Å; V150-F171 HydrophobicContact CG2-CE2 3.96Å; V150-F171 HydrophobicContact CG2-CG 4.33Å; V150-F171 HydrophobicContact CG2-CZ 3.92Å; I153-F171 HydrophobicContact CB-CE1 4.24Å; I153-F171 HydrophobicContact CB-CZ 4.32Å; I153-F171 HydrophobicContact CD1-CZ 3.9Å; I153-F171 HydrophobicContact CG2-CE1 4Å; I153-F171 HydrophobicContact CG2-CZ 4.12Å; M169-F171 HydrophobicContact CB-CD2 4.49Å; M169-F171 HydrophobicContact CB-CE2 4.32Å; M169-F171 HydrophobicContact CE-CE2 4.05Å; M169-F171 HydrophobicContact CE-CZ 4.45Å; F171-R173 PolarHBondContact O-N 3.36Å; F171-F174 WeakPolarHBondContact O-CA 3.15Å; F171-F174 WeakPolarHBondContact O-CB 3.36Å; F171-F174 PolarHBondContact O-N 2.99Å; F171-I176 CarbonylContact C-O 3.31Å; F171-I176 HydrophobicContact CB-CG2 4.46Å; F171-I176 HydrophobicContact CD1-CG2 3.84Å; F171-I176 PolarHBondContact O-N 3.37Å; F171-P179 HydrophobicContact CD1-CG 4Å; F171-P179 HydrophobicContact CD2-CG 4.2Å; F171-P179 HydrophobicContact CE1-CG 3.99Å; F171-P179 HydrophobicContact CE2-CG 4.18Å; F171-P179 HydrophobicContact CG-CG 4.14Å; F171-P179 HydrophobicContact CZ-CG 4.09Å; F171-Y181 WeakPolarHBondContact CE2-OH 3.47Å
172	T	93.9	Very high	95.2	Very high	81 Å²	81	46 Å²	46	50%	0.497	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-64.6	-29.3	178.9	77.2	0	0	0	0	112	N170 F174 R175 I176 Q178	N170-T172 PolarHBondContact OD1-N 2.75Å; N170-T172 PolarHBondContact OD1-OG1 2.88Å; T172-F174 PolarHBondContact O-N 3.01Å; T172-F174 VanDerWaalsContact O-N 3.12Å; T172-R175 PolarHBondContact O-N 2.91Å; T172-I176 PolarHBondContact N-O 2.98Å; T172-Q178 HydrophobicContact CG2-CB 3.83Å
173	R	92.4	Very high	95.3	Very high	196 Å²	196	45.5 Å²	45.5	74%	0.74	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-57.3	-21.4	168.6	-70.7	-177.7	-179.1	-157.9	-2.7	114.1	N170 F171	N170-R173 HydrophobicContact CB-CG 4.24Å; N170-R173 PolarHBondContact OD1-N 2.9Å; F171-R173 PolarHBondContact O-N 3.36Å
174	F	91.6	Very high	95.4	Very high	51 Å²	51	45.8 Å²	45.8	22%	0.224	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-104.6	12.2	176.2	-55.9	-79.9	0	0	0	112.8	Q146 V147 V150 N170 F171 T172 I176	Q146-F174 HydrophobicContact CB-CE1 4.47Å; Q146-F174 HydrophobicContact CB-CZ 3.8Å; V147-F174 HydrophobicContact CG2-CD1 3.82Å; V147-F174 HydrophobicContact CG2-CE1 3.57Å; V150-F174 HydrophobicContact CB-CD2 4.48Å; V150-F174 HydrophobicContact CG1-CB 4.15Å; V150-F174 HydrophobicContact CG1-CD2 4.31Å; V150-F174 HydrophobicContact CG1-CG 4.36Å; V150-F174 HydrophobicContact CG2-CD2 3.96Å; V150-F174 HydrophobicContact CG2-CE2 4.12Å; N170-F174 WeakPolarHBondContact O-CD2 3.28Å; N170-F174 WeakPolarHBondContact O-CE2 3.37Å; F171-F174 WeakPolarHBondContact O-CA 3.15Å; F171-F174 WeakPolarHBondContact O-CB 3.36Å; F171-F174 PolarHBondContact O-N 2.99Å; T172-F174 PolarHBondContact O-N 3.01Å; T172-F174 VanDerWaalsContact O-N 3.12Å; F174-I176 HydrophobicContact CB-CD1 4.38Å; F174-I176 PolarHBondContact O-N 3.12Å
175	R	92.8	Very high	95.5	Very high	244 Å²	244	45.2 Å²	45.2	92%	0.921	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	34.6	-175.6	-54.6	-178.6	-178.4	175	-0.8	113.6	T172	T172-R175 PolarHBondContact O-N 2.91Å
176	I	91.8	Very high	95.6	Very high	46 Å²	46	46 Å²	46	24%	0.236	20%	0.204	C	C	.	.	S	Bend	trans	-117.4	144.8	177.8	-72.7	163.7	0	0	0	107.9	V150 S154 F171 T172 F174 Q178	V150-I176 HydrophobicContact CG1-CB 4.41Å; V150-I176 HydrophobicContact CG1-CD1 3.5Å; V150-I176 VanDerWaalsContact CG1-CD1 3.5Å; V150-I176 HydrophobicContact CG1-CG2 4.44Å; S154-I176 VanDerWaalsContact OG-CG2 3.28Å; S154-I176 WeakPolarHBondContact OG-CG2 3.46Å; F171-I176 CarbonylContact C-O 3.31Å; F171-I176 HydrophobicContact CB-CG2 4.46Å; F171-I176 HydrophobicContact CD1-CG2 3.84Å; F171-I176 PolarHBondContact O-N 3.37Å; T172-I176 PolarHBondContact N-O 2.98Å; F174-I176 HydrophobicContact CB-CD1 4.38Å; F174-I176 PolarHBondContact O-N 3.12Å; I176-Q178 PolarHBondContact O-N 3.28Å
177	E	91.3	Very high	95.6	Very high	134 Å²	134	46.3 Å²	46.3	63%	0.626	21%	0.206	S	C	*	.			trans	-53	137.7	176.2	-171.2	-176.9	-169.3	0	0	110.6	Q101 P179	Q101-E177 PolarHBondContact NE2-OE2 2.88Å; E177-P179 WeakPolarHBondContact O-CD 3.29Å
178	Q	94.2	Very high	95.6	Very high	46 Å²	46	46 Å²	46	22%	0.215	20%	0.204	C	C	.	.			trans	-79.8	111	-177.8	-177	58.1	56.2	0	0	109.8	T172 I176 Y181	T172-Q178 HydrophobicContact CG2-CB 3.83Å; I176-Q178 PolarHBondContact O-N 3.28Å; Q178-Y181 VanDerWaalsContact NE2-CE2 3.34Å
179	P	95.4	Very high	95.5	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.019	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-67.3	150.3	171.3	30.8	-35.6	0	0	0	109.5	Q101 I103 F171 E177 Y181	Q101-P179 HydrophobicContact CB-CB 3.85Å; Q101-P179 WeakPolarHBondContact O-CA 3.4Å; Q101-P179 WeakPolarHBondContact O-CB 3.41Å; I103-P179 HydrophobicContact CD1-CB 4.16Å; I103-P179 HydrophobicContact CD1-CG 3.41Å; I103-P179 VanDerWaalsContact CD1-CG 3.41Å; I103-P179 HydrophobicContact CG1-CB 4.03Å; I103-P179 HydrophobicContact CG1-CG 3.83Å; F171-P179 HydrophobicContact CD1-CG 4Å; F171-P179 HydrophobicContact CD2-CG 4.2Å; F171-P179 HydrophobicContact CE1-CG 3.99Å; F171-P179 HydrophobicContact CE2-CG 4.18Å; F171-P179 HydrophobicContact CG-CG 4.14Å; F171-P179 HydrophobicContact CZ-CG 4.09Å; E177-P179 WeakPolarHBondContact O-CD 3.29Å; P179-Y181 HydrophobicContact CG-CE2 4.23Å; P179-Y181 WeakPolarHBondContact O-CD2 3.48Å
180	V	95.9	Very high	95.5	Very high	36 Å²	36	46.1 Å²	46.1	22%	0.218	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	133.6	177.5	-61.6	0	0	0	0	110	P99 Q101 V102 I103 L276	P99-V180 HydrophobicContact CB-CB 4.33Å; P99-V180 HydrophobicContact CB-CG1 3.79Å; P99-V180 HydrophobicContact CB-CG2 3.55Å; P99-V180 HydrophobicContact CG-CG1 3.81Å; P99-V180 HydrophobicContact CG-CG2 4.1Å; Q101-V180 PolarHBondContact O-N 3.32Å; V102-V180 WeakPolarHBondContact CA-O 3.41Å; V102-V180 HydrophobicContact CB-CG2 4.5Å; V102-V180 HydrophobicContact CG2-CG2 3.93Å; I103-V180 PolarHBondContact N-O 3.4Å; V180-L276 HydrophobicContact CB-CB 4.23Å; V180-L276 HydrophobicContact CG2-CD2 4.27Å
181	Y	98.4	Very high	95.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	144.2	176.4	-83.7	-114.4	0	0	0	111.4	I103 N105 F168 M169 F171 Q178 P179 N274 Y275 L276	I103-Y181 HydrophobicContact CB-CD1 4.17Å; I103-Y181 HydrophobicContact CB-CD2 4.18Å; I103-Y181 HydrophobicContact CB-CE1 4.05Å; I103-Y181 HydrophobicContact CB-CE2 4.01Å; I103-Y181 HydrophobicContact CB-CG 4.24Å; I103-Y181 HydrophobicContact CD1-CE2 3.94Å; I103-Y181 HydrophobicContact CG1-CE2 4.38Å; I103-Y181 HydrophobicContact CG2-CD1 3.9Å; I103-Y181 HydrophobicContact CG2-CE1 3.49Å; I103-Y181 VanDerWaalsContact CG2-CE1 3.49Å; I103-Y181 HydrophobicContact CG2-CE2 4.27Å; I103-Y181 HydrophobicContact CG2-CG 4.48Å; I103-Y181 WeakPolarHBondContact O-CA 3.41Å; N105-Y181 HydrophobicContact CB-CD1 4.22Å; N105-Y181 HydrophobicContact CB-CE1 3.9Å; N105-Y181 WeakPolarHBondContact OD1-CD1 3.36Å; F168-Y181 HydrophobicContact CD2-CD1 4.02Å; F168-Y181 HydrophobicContact CD2-CD2 4.46Å; F168-Y181 AromaticContact CD2-CE1 3.8Å; F168-Y181 HydrophobicContact CD2-CE1 3.8Å; F168-Y181 HydrophobicContact CD2-CE2 4.3Å; F168-Y181 HydrophobicContact CD2-CG 4.34Å; F168-Y181 AromaticContact CD2-CZ 3.96Å; F168-Y181 HydrophobicContact CE2-CD2 4.16Å; F168-Y181 HydrophobicContact CE2-CE1 4.38Å; F168-Y181 HydrophobicContact CE2-CE2 4.06Å; F168-Y181 HydrophobicContact CE2-CG 4.4Å; M169-Y181 PolarHBondContact O-OH 3.34Å; F171-Y181 WeakPolarHBondContact CE2-OH 3.47Å; Q178-Y181 VanDerWaalsContact NE2-CE2 3.34Å; P179-Y181 HydrophobicContact CG-CE2 4.23Å; P179-Y181 WeakPolarHBondContact O-CD2 3.48Å; Y181-N274 PolarHBondContact N-O 2.75Å; Y181-N274 VanDerWaalsContact N-O 3.14Å; Y181-Y275 VanDerWaalsContact CB-CD1 3.47Å; Y181-Y275 AromaticContact CD1-CE1 3.88Å; Y181-Y275 HydrophobicContact CD1-CE1 3.88Å; Y181-Y275 HydrophobicContact CD1-CE2 4.33Å; Y181-Y275 AromaticContact CD1-CZ 3.68Å; Y181-Y275 HydrophobicContact CG-CE1 4.15Å; Y181-Y275 HydrophobicContact CG-CE2 4.37Å; Y181-Y275 CarbonylContact O-C 3.59Å; Y181-Y275 VanDerWaalsContact O-CA 3.32Å; Y181-Y275 WeakPolarHBondContact O-CA 3.34Å; Y181-L276 PolarHBondContact O-N 2.97Å
182	I	98.5	Very high	95.6	Very high	9 Å²	9	44.6 Å²	44.6	5%	0.046	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.1	165.1	61.2	172.5	0	0	0	109.4	V102 I103 Y104 L161 L276 L277 L291 L295 F299	V102-I182 HydrophobicContact CG1-CD1 3.8Å; V102-I182 HydrophobicContact CG1-CG1 3.84Å; V102-I182 HydrophobicContact CG1-CG2 4.34Å; I103-I182 PolarHBondContact O-N 3.28Å; Y104-I182 WeakPolarHBondContact CD2-O 3.28Å; L161-I182 HydrophobicContact CD1-CD1 4.43Å; I182-L276 HydrophobicContact CG2-CB 4.33Å; I182-L277 VanDerWaalsContact CA-O 3.31Å; I182-L277 WeakPolarHBondContact CA-O 3.33Å; I182-L291 HydrophobicContact CB-CD2 4.43Å; I182-L291 HydrophobicContact CD1-CD2 4.11Å; I182-L291 HydrophobicContact CG2-CD2 4.01Å; I182-L295 HydrophobicContact CG2-CD1 4.28Å; I182-F299 HydrophobicContact CD1-CE2 4.37Å; I182-F299 HydrophobicContact CD1-CZ 4.01Å
183	N	98.6	Very high	95.7	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.016	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	168.1	170.7	-137.7	-40	0	0	0	112.9	Y104 N105 F249 Y275 L277 V278 G279	Y104-N183 WeakPolarHBondContact CE2-OD1 3.48Å; N105-N183 PolarHBondContact O-ND2 3.22Å; N105-N183 PolarHBondContact OD1-ND2 3.17Å; N183-F249 HydrophobicContact CB-CE1 3.79Å; N183-F249 HydrophobicContact CB-CZ 3.69Å; N183-Y275 HydrophobicContact CB-CD1 4.29Å; N183-Y275 HydrophobicContact CB-CE1 3.96Å; N183-L277 PolarHBondContact N-O 3.37Å; N183-V278 HydrophobicContact CB-CG1 4.28Å; N183-V278 WeakPolarHBondContact O-CA 3.29Å; N183-G279 PolarHBondContact O-N 3.43Å
184	I	98.5	Very high	95.8	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.031	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	120.2	174.2	-56.1	-177.9	0	0	0	106.9	C110 V115 G279 L281 L284 V287	C110-I184 WeakPolarHBondContact CB-O 3.45Å; V115-I184 HydrophobicContact CG2-CD1 3.99Å; I184-G279 CarbonylContact C-O 3.48Å; I184-G279 WeakPolarHBondContact CA-O 3.38Å; I184-L281 HydrophobicContact CG2-CB 4.26Å; I184-L281 HydrophobicContact CG2-CD1 4.41Å; I184-L284 HydrophobicContact CD1-CD1 3.77Å; I184-V287 HydrophobicContact CD1-CG1 3.81Å; I184-V287 HydrophobicContact CG1-CG1 4.01Å
185	I	98.4	Very high	95.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-174.8	175	70.7	169.5	0	0	0	110.3	V107 I245 F249 V278 G279 I280 L281 Y345 I348	V107-I185 HydrophobicContact CG2-CG2 4.46Å; I185-I245 HydrophobicContact CB-CG2 4.2Å; I185-I245 HydrophobicContact CG2-CG2 3.74Å; I185-F249 HydrophobicContact CG2-CE2 3.52Å; I185-F249 HydrophobicContact CG2-CZ 3.5Å; I185-F249 VanDerWaalsContact CG2-CZ 3.5Å; I185-V278 HydrophobicContact CG2-CG1 4.11Å; I185-G279 PolarHBondContact N-O 2.58Å; I185-I280 HydrophobicContact CG1-CG2 4.07Å; I185-L281 WeakPolarHBondContact O-CB 3.42Å; I185-L281 PolarHBondContact O-N 3.01Å; I185-Y345 HydrophobicContact CD1-CD2 3.64Å; I185-Y345 HydrophobicContact CD1-CE2 4.42Å; I185-Y345 HydrophobicContact CD1-CG 4.37Å; I185-Y345 HydrophobicContact CG1-CD2 4.05Å; I185-Y345 HydrophobicContact CG1-CE2 4.4Å; I185-I348 HydrophobicContact CD1-CB 3.67Å; I185-I348 HydrophobicContact CD1-CG1 3.89Å; I185-I348 HydrophobicContact CD1-CG2 3.57Å; I185-I348 HydrophobicContact CG1-CG2 3.94Å
186	R	97	Very high	96	Very high	49 Å²	49	21 Å²	21	19%	0.185	11%	0.105	C	C	.	.			trans	-153.4	155	-176.7	-172.2	-174.1	-177.5	-175	-9.4	108.2	C110 S190 R191 S194 I245 L281 E282	C110-R186 HydrophobicContact CB-CB 4.12Å; R186-S190 PolarHBondContact NH1-O 3Å; R186-R191 HydrophobicContact CB-CB 4.37Å; R186-S194 PolarHBondContact NH1-OG 3.06Å; R186-I245 WeakPolarHBondContact O-CD1 3.42Å; R186-L281 HydrophobicContact CB-CB 4.12Å; R186-L281 HydrophobicContact CB-CD2 4.33Å; R186-L281 HydrophobicContact CG-CB 4.12Å; R186-L281 HydrophobicContact CG-CD2 3.93Å; R186-E282 WeakPolarHBondContact CG-OE1 3.44Å
187	D	97.3	Very high	96	Very high	7 Å²	7	19.3 Å²	19.3	4%	0.037	10%	0.095	C	C	.	.			trans	-40.5	124.8	168.9	164.3	-107.2	0	0	0	111.5	I189 S190 R191 E282 Y342	D187-I189 PolarHBondContact O-N 3.06Å; D187-S190 PolarHBondContact O-N 3.4Å; D187-S190 WeakPolarHBondContact OD1-CA 3.41Å; D187-S190 WeakPolarHBondContact OD1-CB 3.46Å; D187-S190 PolarHBondContact OD1-N 3.24Å; D187-S190 PolarHBondContact OD1-OG 3.05Å; D187-R191 WeakPolarHBondContact O-CB 3.27Å; D187-R191 PolarHBondContact O-N 2.88Å; D187-E282 PolarHBondContact N-OE1 3.03Å; D187-Y342 VanDerWaalsContact OD2-CE1 3.25Å; D187-Y342 WeakPolarHBondContact OD2-CE1 3.46Å; D187-Y342 PolarHBondContact OD2-OH 3.29Å
188	P	97.5	Very high	96	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.006	8%	0.077	C	C	.	.	H	α-helix	trans	-53.3	-47.8	-172.7	-30.6	34.6	0	0	0	114.6	R191 F192 I245 M338 E341 Y342	P188-R191 WeakPolarHBondContact O-CB 3.38Å; P188-R191 PolarHBondContact O-N 3.32Å; P188-F192 WeakPolarHBondContact O-CB 3.47Å; P188-F192 PolarHBondContact O-N 3.02Å; P188-I245 HydrophobicContact CG-CD1 4.4Å; P188-M338 HydrophobicContact CB-SD 3.81Å; P188-E341 HydrophobicContact CB-CB 3.96Å; P188-E341 HydrophobicContact CG-CB 3.91Å; P188-Y342 HydrophobicContact CB-CD2 4.26Å; P188-Y342 HydrophobicContact CB-CE2 3.9Å; P188-Y342 HydrophobicContact CG-CD1 4.11Å; P188-Y342 HydrophobicContact CG-CD2 4.11Å; P188-Y342 HydrophobicContact CG-CE1 4.06Å; P188-Y342 HydrophobicContact CG-CE2 4.06Å; P188-Y342 HydrophobicContact CG-CG 4.11Å
189	I	96.3	Very high	95.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-67.1	-47	179.2	-68.5	173.7	0	0	0	110.4	D187 R191 F192 L193 L331 L334 M338 Y342 Y370	D187-I189 PolarHBondContact O-N 3.06Å; I189-R191 VanDerWaalsContact C-N 3.26Å; I189-R191 PolarHBondContact O-N 3.05Å; I189-F192 CarbonylContact O-C 3.58Å; I189-F192 WeakPolarHBondContact O-CB 3.47Å; I189-F192 PolarHBondContact O-N 3.34Å; I189-L193 HydrophobicContact CG2-CD1 3.75Å; I189-L193 HydrophobicContact CG2-CG 4.03Å; I189-L193 WeakPolarHBondContact O-CG 3.43Å; I189-L193 PolarHBondContact O-N 3.28Å; I189-L331 HydrophobicContact CD1-CD2 4.37Å; I189-L331 HydrophobicContact CG2-CD2 3.8Å; I189-L334 HydrophobicContact CB-CD2 4.34Å; I189-L334 HydrophobicContact CD1-CD2 4.34Å; I189-L334 HydrophobicContact CG1-CD2 3.83Å; I189-L334 HydrophobicContact CG1-CG 4.14Å; I189-L334 HydrophobicContact CG2-CD2 3.87Å; I189-M338 HydrophobicContact CG1-SD 3.85Å; I189-Y342 WeakPolarHBondContact CB-OH 3.06Å; I189-Y342 HydrophobicContact CD1-CE2 3.98Å; I189-Y342 WeakPolarHBondContact CD1-OH 3.08Å; I189-Y342 HydrophobicContact CG1-CE2 3.91Å; I189-Y342 VanDerWaalsContact CG1-OH 3.26Å; I189-Y342 WeakPolarHBondContact CG1-OH 3.31Å; I189-Y342 PolarHBondContact N-OH 3.5Å; I189-Y370 VanDerWaalsContact CG2-OH 3.22Å; I189-Y370 WeakPolarHBondContact CG2-OH 3.22Å
190	S	95.4	Very high	95.4	Very high	15 Å²	15	17.1 Å²	17.1	11%	0.105	8%	0.081	C	C	.	.	H	α-helix	trans	-59.2	-35.2	176.9	-69.5	0	0	0	0	113.1	R186 D187 S194	R186-S190 PolarHBondContact NH1-O 3Å; D187-S190 PolarHBondContact O-N 3.4Å; D187-S190 WeakPolarHBondContact OD1-CA 3.41Å; D187-S190 WeakPolarHBondContact OD1-CB 3.46Å; D187-S190 PolarHBondContact OD1-N 3.24Å; D187-S190 PolarHBondContact OD1-OG 3.05Å; S190-S194 WeakPolarHBondContact O-CB 3.34Å; S190-S194 PolarHBondContact O-N 2.78Å; S190-S194 VanDerWaalsContact O-N 3.16Å
191	R	96.6	Very high	95	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.008	7%	0.074	C	C	.	.	H	α-helix	trans	-67.6	-47.4	171.9	-175.3	-142.9	68.4	86.5	-5.2	110.9	K109 R186 D187 P188 I189 S194 N195 Y244	K109-R191 HydrophobicContact CB-CG 4.07Å; R186-R191 HydrophobicContact CB-CB 4.37Å; D187-R191 WeakPolarHBondContact O-CB 3.27Å; D187-R191 PolarHBondContact O-N 2.88Å; P188-R191 WeakPolarHBondContact O-CB 3.38Å; P188-R191 PolarHBondContact O-N 3.32Å; I189-R191 VanDerWaalsContact C-N 3.26Å; I189-R191 PolarHBondContact O-N 3.05Å; R191-S194 WeakPolarHBondContact O-CB 3.33Å; R191-S194 PolarHBondContact O-N 3.23Å; R191-N195 PolarHBondContact O-N 3.46Å; R191-Y244 VanDerWaalsContact CZ-CD1 3.47Å; R191-Y244 VanDerWaalsContact CZ-CG 3.48Å; R191-Y244 VanDerWaalsContact NH1-CG 3.27Å; R191-Y244 VanDerWaalsContact NH2-CB 3.31Å
192	F	96.8	Very high	94.3	Very high	7 Å²	7	16.2 Å²	16.2	3%	0.031	7%	0.074	C	C	.	.	H	α-helix	trans	-60.9	-51.5	178.8	163.9	-97	0	0	0	112.4	P188 I189 S194 N195 Y196 I226 I230 E236 C237 V242 L334 M338	P188-F192 WeakPolarHBondContact O-CB 3.47Å; P188-F192 PolarHBondContact O-N 3.02Å; I189-F192 CarbonylContact O-C 3.58Å; I189-F192 WeakPolarHBondContact O-CB 3.47Å; I189-F192 PolarHBondContact O-N 3.34Å; F192-S194 VanDerWaalsContact C-N 3.3Å; F192-S194 PolarHBondContact O-N 3.41Å; F192-N195 CarbonylContact O-C 3.55Å; F192-N195 WeakPolarHBondContact O-CA 3.46Å; F192-N195 VanDerWaalsContact O-CB 3.25Å; F192-N195 WeakPolarHBondContact O-CB 3.48Å; F192-N195 PolarHBondContact O-N 3.35Å; F192-Y196 HydrophobicContact CZ-CD2 4.5Å; F192-Y196 PolarHBondContact O-N 3.39Å; F192-I226 HydrophobicContact CE1-CD1 3.92Å; F192-I226 HydrophobicContact CZ-CD1 4.14Å; F192-I230 HydrophobicContact CE1-CD1 4.36Å; F192-E236 WeakPolarHBondContact CE2-O 3.44Å; F192-C237 HydrophobicContact CZ-CB 4.16Å; F192-V242 HydrophobicContact CD2-CG1 4.08Å; F192-V242 HydrophobicContact CE2-CG1 3.89Å; F192-L334 HydrophobicContact CD1-CD1 4.21Å; F192-L334 HydrophobicContact CD1-CD2 3.49Å; F192-L334 VanDerWaalsContact CD1-CD2 3.49Å; F192-L334 HydrophobicContact CD1-CG 4.43Å; F192-L334 HydrophobicContact CE1-CD1 3.93Å; F192-L334 HydrophobicContact CE1-CD2 3.59Å; F192-L334 HydrophobicContact CE1-CG 4.44Å; F192-L334 HydrophobicContact CG-CD2 4.42Å; F192-L334 HydrophobicContact CZ-CD1 4.2Å; F192-M338 HydrophobicContact CB-CE 3.47Å; F192-M338 VanDerWaalsContact CB-CE 3.47Å; F192-M338 HydrophobicContact CD1-CE 4.06Å; F192-M338 HydrophobicContact CD2-CE 3.91Å; F192-M338 HydrophobicContact CG-CE 3.54Å
193	L	95.4	Very high	93.7	Very high	17 Å²	17	15.9 Å²	15.9	9%	0.089	7%	0.072	C	C	.	.	H	α-helix	trans	-58.9	-43.8	176.8	-65.1	175.7	0	0	0	110.8	I189 N195 Y196 F197 I226 P326	I189-L193 HydrophobicContact CG2-CD1 3.75Å; I189-L193 HydrophobicContact CG2-CG 4.03Å; I189-L193 WeakPolarHBondContact O-CG 3.43Å; I189-L193 PolarHBondContact O-N 3.28Å; L193-N195 PolarHBondContact O-N 3.31Å; L193-Y196 PolarHBondContact O-N 2.88Å; L193-F197 HydrophobicContact CB-CD2 4.49Å; L193-F197 HydrophobicContact CB-CE2 4.45Å; L193-F197 HydrophobicContact CD2-CE2 4.33Å; L193-F197 WeakPolarHBondContact O-CD2 3.33Å; L193-F197 PolarHBondContact O-N 3.31Å; L193-F197 VanDerWaalsContact O-N 3.09Å; L193-I226 HydrophobicContact CD2-CD1 4.23Å; L193-I226 HydrophobicContact CD2-CG1 3.87Å; L193-P326 HydrophobicContact CD1-CG 4.33Å; L193-P326 HydrophobicContact CD2-CG 3.66Å
194	S	94	Very high	92.8	Very high	9 Å²	9	22.5 Å²	22.5	6%	0.063	10%	0.097	C	C	.	.	H	α-helix	trans	-58.3	-34.4	173.1	-174.9	0	0	0	0	112.4	K109 R186 S190 R191 F192 F198	K109-S194 WeakPolarHBondContact CE-O 3.33Å; K109-S194 VanDerWaalsContact CE-OG 3.32Å; K109-S194 WeakPolarHBondContact CE-OG 3.41Å; K109-S194 PolarHBondContact NZ-O 2.74Å; R186-S194 PolarHBondContact NH1-OG 3.06Å; S190-S194 WeakPolarHBondContact O-CB 3.34Å; S190-S194 PolarHBondContact O-N 2.78Å; S190-S194 VanDerWaalsContact O-N 3.16Å; R191-S194 WeakPolarHBondContact O-CB 3.33Å; R191-S194 PolarHBondContact O-N 3.23Å; F192-S194 VanDerWaalsContact C-N 3.3Å; F192-S194 PolarHBondContact O-N 3.41Å; S194-F198 WeakPolarHBondContact O-CB 3.16Å; S194-F198 PolarHBondContact O-N 3.21Å
195	N	94	Very high	91.6	Very high	45 Å²	45	25.8 Å²	25.8	24%	0.241	11%	0.109	C	C	.	.	H	α-helix	trans	-71.9	-47.6	174.7	-164.6	58.8	0	0	0	112.6	K109 R191 F192 L193 F198 R199	K109-N195 HydrophobicContact CG-CB 3.94Å; R191-N195 PolarHBondContact O-N 3.46Å; F192-N195 CarbonylContact O-C 3.55Å; F192-N195 WeakPolarHBondContact O-CA 3.46Å; F192-N195 VanDerWaalsContact O-CB 3.25Å; F192-N195 WeakPolarHBondContact O-CB 3.48Å; F192-N195 PolarHBondContact O-N 3.35Å; L193-N195 PolarHBondContact O-N 3.31Å; N195-F198 PolarHBondContact O-N 3.24Å; N195-R199 PolarHBondContact O-N 3.45Å
196	Y	94.3	Very high	89.9	Confident	7 Å²	7	27.1 Å²	27.1	3%	0.027	12%	0.123	C	C	.	.	H	α-helix	trans	-54.3	-57.9	-179.4	-174.4	-90.1	0	0	0	111.5	F192 L193 F198 R199 R200 L224 I226 C229 E236	F192-Y196 HydrophobicContact CZ-CD2 4.5Å; F192-Y196 PolarHBondContact O-N 3.39Å; L193-Y196 PolarHBondContact O-N 2.88Å; Y196-F198 VanDerWaalsContact C-N 3.3Å; Y196-F198 PolarHBondContact O-N 3.28Å; Y196-R199 PolarHBondContact O-N 3.29Å; Y196-R200 VanDerWaalsContact CE2-CZ 3.43Å; Y196-R200 PolarHBondContact O-N 2.91Å; Y196-L224 PolarHBondContact OH-O 3.33Å; Y196-I226 HydrophobicContact CD1-CD1 3.84Å; Y196-I226 HydrophobicContact CD2-CD1 3.6Å; Y196-I226 HydrophobicContact CE1-CB 4.02Å; Y196-I226 HydrophobicContact CE1-CD1 3.84Å; Y196-I226 HydrophobicContact CE1-CG1 4.42Å; Y196-I226 HydrophobicContact CE2-CD1 3.59Å; Y196-I226 HydrophobicContact CG-CD1 3.72Å; Y196-C229 HydrophobicContact CE2-CB 4.13Å; Y196-E236 WeakPolarHBondContact CE2-OE1 3.38Å
197	F	92.8	Very high	87.8	Confident	9 Å²	9	29 Å²	29	4%	0.039	13%	0.134	C	C	.	.	H	α-helix	trans	-69.8	-25.9	-179.2	-65.6	-66.6	0	0	0	112.9	L193 R200 F201 I226 T320 R322 K323 H324	L193-F197 HydrophobicContact CB-CD2 4.49Å; L193-F197 HydrophobicContact CB-CE2 4.45Å; L193-F197 HydrophobicContact CD2-CE2 4.33Å; L193-F197 WeakPolarHBondContact O-CD2 3.33Å; L193-F197 PolarHBondContact O-N 3.31Å; L193-F197 VanDerWaalsContact O-N 3.09Å; F197-R200 PolarHBondContact O-N 2.98Å; F197-F201 HydrophobicContact CB-CD2 4.46Å; F197-F201 HydrophobicContact CD1-CD2 4.11Å; F197-F201 AromaticContact CD1-CE2 3.92Å; F197-F201 HydrophobicContact CD1-CE2 3.92Å; F197-F201 PolarHBondContact O-N 2.83Å; F197-I226 HydrophobicContact CZ-CB 4.24Å; F197-I226 HydrophobicContact CZ-CG2 4.22Å; F197-T320 HydrophobicContact CB-CG2 3.81Å; F197-R322 WeakPolarHBondContact CD1-O 3.45Å; F197-K323 HydrophobicContact CB-CG 4Å; F197-K323 HydrophobicContact CD2-CB 3.95Å; F197-K323 HydrophobicContact CD2-CG 3.91Å; F197-K323 HydrophobicContact CE2-CB 4.43Å; F197-K323 HydrophobicContact CG-CB 4.39Å; F197-K323 HydrophobicContact CG-CG 4.17Å; F197-H324 VanDerWaalsContact CE2-O 3.22Å; F197-H324 WeakPolarHBondContact CE2-O 3.26Å; F197-H324 HydrophobicContact CZ-CB 4.03Å
198	F	90.1	Very high	85.7	Confident	53 Å²	53	36.6 Å²	36.6	23%	0.232	17%	0.169	C	C	.	.	H	α-helix	trans	-74.1	-35.8	177.7	176.9	-99.5	0	0	0	113.5	K109 S194 N195 Y196 R200 G202 D203 T320	K109-F198 HydrophobicContact CD-CD1 4.3Å; K109-F198 HydrophobicContact CD-CG 4.45Å; S194-F198 WeakPolarHBondContact O-CB 3.16Å; S194-F198 PolarHBondContact O-N 3.21Å; N195-F198 PolarHBondContact O-N 3.24Å; Y196-F198 VanDerWaalsContact C-N 3.3Å; Y196-F198 PolarHBondContact O-N 3.28Å; F198-R200 VanDerWaalsContact C-N 3.27Å; F198-G202 WeakPolarHBondContact CD2-O 3.34Å; F198-G202 VanDerWaalsContact O-CA 3.3Å; F198-G202 WeakPolarHBondContact O-CA 3.18Å; F198-G202 PolarHBondContact O-N 3.03Å; F198-D203 HydrophobicContact CD2-CB 4.35Å; F198-D203 HydrophobicContact CE2-CB 4.01Å; F198-T320 HydrophobicContact CB-CG2 3.71Å; F198-T320 VanDerWaalsContact N-CG2 3.34Å
199	R	88.8	Confident	83.8	Confident	83 Å²	83	38.7 Å²	38.7	31%	0.313	18%	0.18	S	C	.	.	H	α-helix	trans	-62.6	-39.4	171.7	-77	-178	58.7	-137.5	-12.8	110.7	N195 Y196 T214 M217 E221 E236	N195-R199 PolarHBondContact O-N 3.45Å; Y196-R199 PolarHBondContact O-N 3.29Å; R199-T214 VanDerWaalsContact O-CG2 3.22Å; R199-T214 WeakPolarHBondContact O-CG2 3.24Å; R199-T214 PolarHBondContact O-OG1 3.04Å; R199-M217 HydrophobicContact CB-CE 4.3Å; R199-E221 IonicContact NH2-OE1 2.75Å; R199-E221 PolarHBondContact NH2-OE1 3.13Å; R199-E221 VanDerWaalsContact NH2-OE1 3.1Å; R199-E236 IonicContact CZ-OE2 2.72Å; R199-E236 IonicContact NH1-OE2 2.73Å; R199-E236 PolarHBondContact NH1-OE2 3.15Å; R199-E236 IonicContact NH2-OE2 2.74Å
200	R	89.3	Confident	82.1	Confident	1 Å²	1	40.4 Å²	40.4	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-77	-45.3	-176.9	-68	173.8	159.4	76.4	8.3	114.1	Y196 F197 F198 H210 M217 E221 R222 E236	Y196-R200 VanDerWaalsContact CE2-CZ 3.43Å; Y196-R200 PolarHBondContact O-N 2.91Å; F197-R200 PolarHBondContact O-N 2.98Å; F198-R200 VanDerWaalsContact C-N 3.27Å; R200-H210 WeakPolarHBondContact O-CB 3.38Å; R200-M217 HydrophobicContact CG-CE 4.17Å; R200-M217 HydrophobicContact CG-SD 3.91Å; R200-E221 PolarHBondContact NE-O 3.37Å; R200-E221 PolarHBondContact NH2-O 3.37Å; R200-R222 HydrophobicContact CB-CG 4.24Å; R200-R222 WeakPolarHBondContact CD-O 3.47Å; R200-R222 WeakPolarHBondContact CG-O 3.38Å; R200-R222 PolarHBondContact NE-O 3.49Å; R200-R222 PolarHBondContact O-NH1 2.92Å; R200-E236 IonicContact CZ-OE1 3.23Å; R200-E236 IonicContact NH1-OE1 3.1Å; R200-E236 PolarHBondContact NH1-OE1 3.08Å; R200-E236 IonicContact NH2-OE1 2.98Å; R200-E236 PolarHBondContact NH2-OE1 3.28Å
201	F	86.5	Confident	80.4	Confident	18 Å²	18	44.5 Å²	44.5	8%	0.079	21%	0.208	C	C	.	.	H	α-helix	trans	-128.6	-9.8	-166.7	-49.2	-55.5	0	0	0	115.1	F197 R222 Y223 V321 R322	F197-F201 HydrophobicContact CB-CD2 4.46Å; F197-F201 HydrophobicContact CD1-CD2 4.11Å; F197-F201 AromaticContact CD1-CE2 3.92Å; F197-F201 HydrophobicContact CD1-CE2 3.92Å; F197-F201 PolarHBondContact O-N 2.83Å; F201-R222 HydrophobicContact CE1-CG 4.04Å; F201-Y223 HydrophobicContact CE1-CD1 4.01Å; F201-Y223 AromaticContact CE1-CE1 3.66Å; F201-Y223 HydrophobicContact CE1-CE1 3.66Å; F201-Y223 HydrophobicContact CZ-CD1 4.05Å; F201-Y223 HydrophobicContact CZ-CE1 4.14Å; F201-V321 HydrophobicContact CB-CG2 3.52Å; F201-V321 VanDerWaalsContact O-CG2 3.32Å; F201-V321 WeakPolarHBondContact O-CG2 3.13Å; F201-R322 HydrophobicContact CB-CB 4.45Å; F201-R322 HydrophobicContact CD2-CB 3.72Å; F201-R322 HydrophobicContact CE2-CB 4.23Å; F201-R322 HydrophobicContact CG-CB 4.17Å
202	G	85.4	Confident	78.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.239	C	C	.	.			trans	80.1	-146.6	172.9	0	0	0	0	0	116.4	F198 T320 V321	F198-G202 WeakPolarHBondContact CD2-O 3.34Å; F198-G202 VanDerWaalsContact O-CA 3.3Å; F198-G202 WeakPolarHBondContact O-CA 3.18Å; F198-G202 PolarHBondContact O-N 3.03Å; G202-T320 WeakPolarHBondContact O-CA 3.11Å; G202-V321 PolarHBondContact O-N 3.31Å
203	D	84.3	Confident	77.3	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-133.1	160.1	-179.6	68	-23.6	0	0	0	111.3	R113 F198 R205 G206 R213 G319	R113-D203 IonicContact NH1-OD2 2.75Å; R113-D203 PolarHBondContact NH1-OD2 3.45Å; F198-D203 HydrophobicContact CD2-CB 4.35Å; F198-D203 HydrophobicContact CE2-CB 4.01Å; D203-R205 PolarHBondContact O-N 2.87Å; D203-R205 IonicContact OD2-CZ 3.5Å; D203-R205 VanDerWaalsContact OD2-CZ 3.29Å; D203-R205 IonicContact OD2-NE 3.2Å; D203-R205 PolarHBondContact OD2-NE 2.89Å; D203-R205 IonicContact OD2-NH2 2.81Å; D203-R205 PolarHBondContact OD2-NH2 3.12Å; D203-G206 PolarHBondContact O-N 2.91Å; D203-R213 IonicContact OD1-CZ 2.69Å; D203-R213 IonicContact OD1-NH1 3.04Å; D203-R213 PolarHBondContact OD1-NH1 3.48Å; D203-R213 IonicContact OD1-NH2 2.77Å; D203-R213 PolarHBondContact OD1-NH2 2.77Å; D203-G319 VanDerWaalsContact CA-O 3.32Å; D203-G319 WeakPolarHBondContact CA-O 3.29Å; D203-G319 WeakPolarHBondContact CB-O 3.33Å
204	W	79.9	Confident	76.1	Confident	142 Å²	142	54.8 Å²	54.8	54%	0.538	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-2.7	-176.1	-70.9	118.1	0	0	0	116.2	G206 L317 G319 V321	W204-G206 PolarHBondContact O-N 2.9Å; W204-L317 HydrophobicContact CB-CD2 4.12Å; W204-G319 PolarHBondContact N-O 3.38Å; W204-V321 HydrophobicContact CD2-CG1 3.49Å; W204-V321 VanDerWaalsContact CD2-CG1 3.49Å; W204-V321 HydrophobicContact CE3-CG1 3.86Å; W204-V321 HydrophobicContact CG-CG1 3.81Å; W204-V321 HydrophobicContact CH2-CG1 4.38Å; W204-V321 HydrophobicContact CZ2-CB 4.49Å; W204-V321 HydrophobicContact CZ2-CG1 4.07Å; W204-V321 HydrophobicContact CZ3-CG1 4.28Å
205	R	74.4	Confident	75	Confident	75 Å²	75	59.7 Å²	59.7	28%	0.283	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	1.9	172.3	-81.3	178.3	-76.9	-127.9	-11.7	114.8	R113 D203 N209 L317 T318	R113-R205 VanDerWaalsContact CD-NH2 3.27Å; R113-R205 VanDerWaalsContact NE-CZ 3.34Å; R113-R205 VanDerWaalsContact NH1-CZ 3.34Å; R113-R205 VanDerWaalsContact NH1-NH2 3.19Å; D203-R205 PolarHBondContact O-N 2.87Å; D203-R205 IonicContact OD2-CZ 3.5Å; D203-R205 VanDerWaalsContact OD2-CZ 3.29Å; D203-R205 IonicContact OD2-NE 3.2Å; D203-R205 PolarHBondContact OD2-NE 2.89Å; D203-R205 IonicContact OD2-NH2 2.81Å; D203-R205 PolarHBondContact OD2-NH2 3.12Å; R205-N209 PolarHBondContact O-ND2 3.35Å; R205-L317 HydrophobicContact CG-CB 3.93Å; R205-T318 VanDerWaalsContact NH2-CA 3.33Å; R205-T318 VanDerWaalsContact NH2-CG2 3.33Å
206	G	61.7	Low	74.3	Confident	28 Å²	28	61 Å²	61	29%	0.289	31%	0.312	S	S	.	.			trans	154.5	110.4	166.3	0	0	0	0	0	108.7	D203 W204 Q208 N209	D203-G206 PolarHBondContact O-N 2.91Å; W204-G206 PolarHBondContact O-N 2.9Å; G206-Q208 PolarHBondContact O-N 3.05Å; G206-N209 VanDerWaalsContact CA-ND2 3.35Å; G206-N209 WeakPolarHBondContact CA-ND2 3.33Å; G206-N209 WeakPolarHBondContact O-CB 3.3Å; G206-N209 PolarHBondContact O-N 3.43Å; G206-N209 PolarHBondContact O-ND2 3.04Å
207	E	52.6	Low	73.9	Confident	90 Å²	90	61.2 Å²	61.2	42%	0.421	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-35	-174.6	-70.1	-172.2	117.1	0	0	112	N209 H210	E207-N209 PolarHBondContact O-N 3.46Å; E207-N209 VanDerWaalsContact O-N 3.16Å; E207-H210 PolarHBondContact O-CE1 2.96Å; E207-H210 PolarHBondContact O-ND1 2.88Å
208	Q	54.6	Low	73.7	Confident	165 Å²	165	67.7 Å²	67.7	77%	0.771	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-10.8	176.9	-65.9	-178.6	-7.3	0	0	114.3	G206 H210 L211	G206-Q208 PolarHBondContact O-N 3.05Å; Q208-H210 PolarHBondContact O-N 2.94Å; Q208-H210 VanDerWaalsContact O-N 3.12Å; Q208-L211 PolarHBondContact O-N 2.68Å
209	N	56.8	Low	73.6	Confident	46 Å²	46	70.3 Å²	70.3	25%	0.246	36%	0.358	C	S	.	.	H	α-helix	trans	-66.2	-13.1	179.1	-71.4	-56.7	0	0	0	113.9	R205 G206 E207 L211 I212 R213	R205-N209 PolarHBondContact O-ND2 3.35Å; G206-N209 VanDerWaalsContact CA-ND2 3.35Å; G206-N209 WeakPolarHBondContact CA-ND2 3.33Å; G206-N209 WeakPolarHBondContact O-CB 3.3Å; G206-N209 PolarHBondContact O-N 3.43Å; G206-N209 PolarHBondContact O-ND2 3.04Å; E207-N209 PolarHBondContact O-N 3.46Å; E207-N209 VanDerWaalsContact O-N 3.16Å; N209-L211 VanDerWaalsContact C-N 3.31Å; N209-L211 PolarHBondContact O-N 3.2Å; N209-I212 PolarHBondContact O-N 2.86Å; N209-R213 WeakPolarHBondContact O-CB 3.33Å; N209-R213 WeakPolarHBondContact O-CD 3.44Å; N209-R213 WeakPolarHBondContact O-CG 3.24Å; N209-R213 PolarHBondContact O-N 3.24Å
210	H	60.2	Low	73.7	Confident	35 Å²	35	71.7 Å²	71.7	16%	0.162	37%	0.372	C	S	.	.	H	α-helix	trans	-65.3	-35.2	177.8	66.5	-95.3	0	0	0	112.4	R200 E207 Q208 R213 T214 R222	R200-H210 WeakPolarHBondContact O-CB 3.38Å; E207-H210 PolarHBondContact O-CE1 2.96Å; E207-H210 PolarHBondContact O-ND1 2.88Å; Q208-H210 PolarHBondContact O-N 2.94Å; Q208-H210 VanDerWaalsContact O-N 3.12Å; H210-R213 PolarHBondContact O-N 2.94Å; H210-T214 PolarHBondContact O-N 3.47Å; H210-T214 PolarHBondContact O-OG1 3.42Å; H210-R222 PolarHBondContact CD2-NH1 3.29Å
211	L	59.3	Low	73.7	Confident	101 Å²	101	74.7 Å²	74.7	53%	0.529	39%	0.386	S	S	.	.	H	α-helix	trans	-63.8	-41.1	174.2	-62.2	174.3	0	0	0	111.2	Q208 N209 P215	Q208-L211 PolarHBondContact O-N 2.68Å; N209-L211 VanDerWaalsContact C-N 3.31Å; N209-L211 PolarHBondContact O-N 3.2Å; L211-P215 WeakPolarHBondContact O-CA 3.37Å; L211-P215 WeakPolarHBondContact O-CB 3.4Å
212	I	60.9	Low	73.8	Confident	130 Å²	130	74.1 Å²	74.1	67%	0.667	38%	0.383	S	S	*	.	H	α-helix	trans	-70.3	-35.2	177.6	-56.8	171.6	0	0	0	111.6	N209	N209-I212 PolarHBondContact O-N 2.86Å
213	R	67.4	Low	74.1	Confident	89 Å²	89	80.7 Å²	80.7	34%	0.336	41%	0.409	S	S	.	.	H	α-helix	trans	-84.6	-26.9	-176.4	-69.3	168.8	-169.4	174.4	7.8	114.1	D203 N209 H210	D203-R213 IonicContact OD1-CZ 2.69Å; D203-R213 IonicContact OD1-NH1 3.04Å; D203-R213 PolarHBondContact OD1-NH1 3.48Å; D203-R213 IonicContact OD1-NH2 2.77Å; D203-R213 PolarHBondContact OD1-NH2 2.77Å; N209-R213 WeakPolarHBondContact O-CB 3.33Å; N209-R213 WeakPolarHBondContact O-CD 3.44Å; N209-R213 WeakPolarHBondContact O-CG 3.24Å; N209-R213 PolarHBondContact O-N 3.24Å; H210-R213 PolarHBondContact O-N 2.94Å
214	T	71.9	Confident	74.6	Confident	23 Å²	23	82.1 Å²	82.1	14%	0.141	42%	0.416	C	S	.	.			trans	-135.6	60.3	-179.9	55.1	0	0	0	0	111	R199 H210 G216 M217 R222	R199-T214 VanDerWaalsContact O-CG2 3.22Å; R199-T214 WeakPolarHBondContact O-CG2 3.24Å; R199-T214 PolarHBondContact O-OG1 3.04Å; H210-T214 PolarHBondContact O-N 3.47Å; H210-T214 PolarHBondContact O-OG1 3.42Å; T214-G216 PolarHBondContact O-N 3.27Å; T214-G216 VanDerWaalsContact O-N 3.15Å; T214-M217 PolarHBondContact O-N 3.27Å; T214-M217 VanDerWaalsContact O-N 3.14Å; T214-R222 PolarHBondContact O-NH2 3.19Å; T214-R222 PolarHBondContact OG1-NH1 3.18Å; T214-R222 PolarHBondContact OG1-NH2 3Å
215	P	70.4	Confident	75.3	Confident	112 Å²	112	79 Å²	79	73%	0.727	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-18.4	-170.7	26.8	-35.7	0	0	0	114.3	L211	L211-P215 WeakPolarHBondContact O-CA 3.37Å; L211-P215 WeakPolarHBondContact O-CB 3.4Å
216	G	78.1	Confident	76.3	Confident	72 Å²	72	75.5 Å²	75.5	74%	0.742	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	2.1	176.2	0	0	0	0	0	115.5	T214 K218	T214-G216 PolarHBondContact O-N 3.27Å; T214-G216 VanDerWaalsContact O-N 3.15Å; G216-K218 PolarHBondContact O-N 2.88Å
217	M	86.6	Confident	78	Confident	13 Å²	13	75.5 Å²	75.5	6%	0.064	39%	0.391	C	S	.	.			trans	-79.3	113.2	177.2	168.8	-179.7	-84	0	0	109	R199 R200 T214 E221 R222	R199-M217 HydrophobicContact CB-CE 4.3Å; R200-M217 HydrophobicContact CG-CE 4.17Å; R200-M217 HydrophobicContact CG-SD 3.91Å; T214-M217 PolarHBondContact O-N 3.27Å; T214-M217 VanDerWaalsContact O-N 3.14Å; M217-E221 HydrophobicContact CE-CG 4Å; M217-E221 WeakPolarHBondContact CE-OE1 3.41Å; M217-E221 HydrophobicContact CG-CB 4.04Å; M217-E221 HydrophobicContact CG-CG 4.05Å; M217-R222 HydrophobicContact CG-CB 4.06Å; M217-R222 PolarHBondContact O-NH2 2.91Å; M217-R222 HydrophobicContact SD-CB 4.09Å; M217-R222 HydrophobicContact SD-CG 4.22Å
218	K	88.8	Confident	80.1	Confident	145 Å²	145	73.5 Å²	73.5	63%	0.63	38%	0.384	S	S	*	.			trans	-65.7	163.8	177.1	-60.7	179.7	-179.7	179.9	0	111.5	G216 D220 E221 R222	G216-K218 PolarHBondContact O-N 2.88Å; K218-D220 WeakPolarHBondContact CB-OD1 3.47Å; K218-D220 WeakPolarHBondContact CD-OD1 3.06Å; K218-E221 PolarHBondContact O-N 3.35Å; K218-R222 VanDerWaalsContact O-CB 3.31Å; K218-R222 WeakPolarHBondContact O-CB 3.47Å; K218-R222 PolarHBondContact O-N 3.19Å
219	D	87.9	Confident	82.2	Confident	108 Å²	108	65.7 Å²	65.7	58%	0.578	35%	0.348	S	S	*	.	H	α-helix	trans	-70.2	-33.5	-178.1	-73.5	-29	0	0	0	113.6	R222 Y223	D219-R222 PolarHBondContact O-N 3.02Å; D219-Y223 HydrophobicContact CB-CD2 4.19Å; D219-Y223 HydrophobicContact CB-CE2 4.41Å; D219-Y223 VanDerWaalsContact O-CD2 3.29Å; D219-Y223 WeakPolarHBondContact O-CD2 3Å; D219-Y223 PolarHBondContact O-N 3.35Å
220	D	89.8	Confident	84.1	Confident	111 Å²	111	63.5 Å²	63.5	59%	0.594	34%	0.336	S	S	*	.	H	α-helix	trans	-60.8	-45.4	170.7	60.5	-36.9	0	0	0	111.4	K218 L224	K218-D220 WeakPolarHBondContact CB-OD1 3.47Å; K218-D220 WeakPolarHBondContact CD-OD1 3.06Å; D220-L224 WeakPolarHBondContact O-CB 3.18Å; D220-L224 PolarHBondContact O-N 2.84Å
221	E	90.2	Very high	85.9	Confident	64 Å²	64	65 Å²	65	30%	0.299	35%	0.345	S	S	.	.	H	α-helix	trans	-63.4	-43.7	171.5	-170.2	-168.1	168.6	0	0	111	R199 R200 M217 K218 Y223 L224	R199-E221 IonicContact NH2-OE1 2.75Å; R199-E221 PolarHBondContact NH2-OE1 3.13Å; R199-E221 VanDerWaalsContact NH2-OE1 3.1Å; R200-E221 PolarHBondContact NE-O 3.37Å; R200-E221 PolarHBondContact NH2-O 3.37Å; M217-E221 HydrophobicContact CE-CG 4Å; M217-E221 WeakPolarHBondContact CE-OE1 3.41Å; M217-E221 HydrophobicContact CG-CB 4.04Å; M217-E221 HydrophobicContact CG-CG 4.05Å; K218-E221 PolarHBondContact O-N 3.35Å; E221-Y223 PolarHBondContact O-N 3.21Å; E221-L224 WeakPolarHBondContact O-CB 3.24Å
222	R	89.4	Confident	87.7	Confident	6 Å²	6	66.3 Å²	66.3	2%	0.023	35%	0.348	C	S	.	.	H	α-helix	trans	-66.2	-38.3	-174.2	-169	175.8	-56	-70.9	-6.3	113.3	R200 F201 H210 T214 M217 K218 D219	R200-R222 HydrophobicContact CB-CG 4.24Å; R200-R222 WeakPolarHBondContact CD-O 3.47Å; R200-R222 WeakPolarHBondContact CG-O 3.38Å; R200-R222 PolarHBondContact NE-O 3.49Å; R200-R222 PolarHBondContact O-NH1 2.92Å; F201-R222 HydrophobicContact CE1-CG 4.04Å; H210-R222 PolarHBondContact CD2-NH1 3.29Å; T214-R222 PolarHBondContact O-NH2 3.19Å; T214-R222 PolarHBondContact OG1-NH1 3.18Å; T214-R222 PolarHBondContact OG1-NH2 3Å; M217-R222 HydrophobicContact CG-CB 4.06Å; M217-R222 PolarHBondContact O-NH2 2.91Å; M217-R222 HydrophobicContact SD-CB 4.09Å; M217-R222 HydrophobicContact SD-CG 4.22Å; K218-R222 VanDerWaalsContact O-CB 3.31Å; K218-R222 WeakPolarHBondContact O-CB 3.47Å; K218-R222 PolarHBondContact O-N 3.19Å; D219-R222 PolarHBondContact O-N 3.02Å
223	Y	91.6	Very high	89.3	Confident	139 Å²	139	64.2 Å²	64.2	55%	0.545	34%	0.338	S	S	.	.	H	α-helix	trans	-104.6	4.9	-177.2	-63.4	-74.3	0	0	0	113.8	F201 D219 E221 D225	F201-Y223 HydrophobicContact CE1-CD1 4.01Å; F201-Y223 AromaticContact CE1-CE1 3.66Å; F201-Y223 HydrophobicContact CE1-CE1 3.66Å; F201-Y223 HydrophobicContact CZ-CD1 4.05Å; F201-Y223 HydrophobicContact CZ-CE1 4.14Å; D219-Y223 HydrophobicContact CB-CD2 4.19Å; D219-Y223 HydrophobicContact CB-CE2 4.41Å; D219-Y223 VanDerWaalsContact O-CD2 3.29Å; D219-Y223 WeakPolarHBondContact O-CD2 3Å; D219-Y223 PolarHBondContact O-N 3.35Å; E221-Y223 PolarHBondContact O-N 3.21Å; Y223-D225 PolarHBondContact O-N 3.26Å
224	L	94.1	Very high	90.7	Very high	30 Å²	30	64.3 Å²	64.3	16%	0.157	34%	0.34	C	S	.	.			trans	-46.7	124.5	170.2	-178.3	63.6	0	0	0	111.2	Y196 D220 E221 I226 V228 C229 Y234	Y196-L224 PolarHBondContact OH-O 3.33Å; D220-L224 WeakPolarHBondContact O-CB 3.18Å; D220-L224 PolarHBondContact O-N 2.84Å; E221-L224 WeakPolarHBondContact O-CB 3.24Å; L224-I226 PolarHBondContact O-N 3.42Å; L224-V228 HydrophobicContact CD1-CB 4.34Å; L224-V228 HydrophobicContact CD1-CG1 3.96Å; L224-C229 HydrophobicContact CD2-CB 3.81Å; L224-C229 HydrophobicContact CG-CB 4.18Å; L224-Y234 HydrophobicContact CD1-CE1 4.39Å; L224-Y234 HydrophobicContact CD1-CE2 4.43Å; L224-Y234 HydrophobicContact CD2-CD1 3.81Å; L224-Y234 HydrophobicContact CD2-CE1 3.84Å; L224-Y234 HydrophobicContact CD2-CG 4.19Å
225	D	94.9	Very high	91.8	Very high	76 Å²	76	66.8 Å²	66.8	41%	0.406	36%	0.356	S	S	.	.			trans	-62.8	135.9	174.4	-177.4	18.4	0	0	0	110.2	Y223 N227 V228 C229	Y223-D225 PolarHBondContact O-N 3.26Å; D225-N227 PolarHBondContact O-N 2.88Å; D225-N227 PolarHBondContact OD1-N 2.83Å; D225-N227 PolarHBondContact OD1-ND2 3.35Å; D225-N227 WeakPolarHBondContact OD2-CB 3.31Å; D225-N227 PolarHBondContact OD2-ND2 2.89Å; D225-V228 HydrophobicContact CB-CB 4.29Å; D225-V228 HydrophobicContact CB-CG2 4.02Å; D225-V228 PolarHBondContact O-N 3.42Å; D225-C229 WeakPolarHBondContact O-CB 3.41Å; D225-C229 PolarHBondContact O-N 3.49Å
226	I	95.9	Very high	92.9	Very high	3 Å²	3	62.8 Å²	62.8	2%	0.015	33%	0.327	C	S	.	.	H	α-helix	trans	-62.8	-31.7	178.6	-173.7	56.5	0	0	0	111.6	F192 L193 Y196 F197 L224 I230 P326	F192-I226 HydrophobicContact CE1-CD1 3.92Å; F192-I226 HydrophobicContact CZ-CD1 4.14Å; L193-I226 HydrophobicContact CD2-CD1 4.23Å; L193-I226 HydrophobicContact CD2-CG1 3.87Å; Y196-I226 HydrophobicContact CD1-CD1 3.84Å; Y196-I226 HydrophobicContact CD2-CD1 3.6Å; Y196-I226 HydrophobicContact CE1-CB 4.02Å; Y196-I226 HydrophobicContact CE1-CD1 3.84Å; Y196-I226 HydrophobicContact CE1-CG1 4.42Å; Y196-I226 HydrophobicContact CE2-CD1 3.59Å; Y196-I226 HydrophobicContact CG-CD1 3.72Å; F197-I226 HydrophobicContact CZ-CB 4.24Å; F197-I226 HydrophobicContact CZ-CG2 4.22Å; L224-I226 PolarHBondContact O-N 3.42Å; I226-I230 HydrophobicContact CD1-CD1 3.97Å; I226-I230 HydrophobicContact CD1-CG1 4.2Å; I226-I230 HydrophobicContact CG1-CD1 3.86Å; I226-I230 WeakPolarHBondContact O-CD1 3.47Å; I226-I230 VanDerWaalsContact O-CG1 3.26Å; I226-I230 WeakPolarHBondContact O-CG1 3.38Å; I226-I230 PolarHBondContact O-N 3.12Å; I226-P326 HydrophobicContact CG1-CG 3.89Å; I226-P326 HydrophobicContact CG2-CB 4.24Å; I226-P326 HydrophobicContact CG2-CG 4.06Å
227	N	96.8	Very high	93.8	Very high	28 Å²	28	59.3 Å²	59.3	15%	0.15	29%	0.292	C	S	.	.	H	α-helix	trans	-67.2	-51.8	178	-51.6	-60.5	0	0	0	110.5	D225 C229 I230 L231 P326 T327	D225-N227 PolarHBondContact O-N 2.88Å; D225-N227 PolarHBondContact OD1-N 2.83Å; D225-N227 PolarHBondContact OD1-ND2 3.35Å; D225-N227 WeakPolarHBondContact OD2-CB 3.31Å; D225-N227 PolarHBondContact OD2-ND2 2.89Å; N227-C229 VanDerWaalsContact C-N 3.32Å; N227-C229 PolarHBondContact O-N 2.81Å; N227-I230 PolarHBondContact O-N 2.91Å; N227-I230 VanDerWaalsContact O-N 3.13Å; N227-L231 WeakPolarHBondContact O-CB 3.31Å; N227-L231 VanDerWaalsContact O-CG 3.32Å; N227-L231 WeakPolarHBondContact O-CG 3.42Å; N227-L231 PolarHBondContact O-N 3.05Å; N227-P326 WeakPolarHBondContact OD1-CA 3.34Å; N227-P326 WeakPolarHBondContact OD1-CB 3.41Å; N227-T327 PolarHBondContact OD1-N 3.35Å
228	V	97.3	Very high	94.2	Very high	48 Å²	48	59.4 Å²	59.4	29%	0.291	29%	0.294	S	S	.	.	H	α-helix	trans	-53.8	-49.1	173.7	176.5	0	0	0	0	110.5	L224 D225 I230 L231 E232 Y234	L224-V228 HydrophobicContact CD1-CB 4.34Å; L224-V228 HydrophobicContact CD1-CG1 3.96Å; D225-V228 HydrophobicContact CB-CB 4.29Å; D225-V228 HydrophobicContact CB-CG2 4.02Å; D225-V228 PolarHBondContact O-N 3.42Å; V228-I230 VanDerWaalsContact C-N 3.3Å; V228-I230 PolarHBondContact O-N 3.48Å; V228-L231 PolarHBondContact O-N 3.01Å; V228-E232 HydrophobicContact CG1-CG 4.23Å; V228-E232 VanDerWaalsContact O-CB 3.31Å; V228-E232 WeakPolarHBondContact O-CB 3.24Å; V228-E232 PolarHBondContact O-N 3.33Å; V228-Y234 HydrophobicContact CG1-CE2 4.11Å
229	C	97.2	Very high	94.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-55.5	-42.4	178.1	-172.1	0	0	0	0	113.1	Y196 L224 D225 N227 Y234 C237	Y196-C229 HydrophobicContact CE2-CB 4.13Å; L224-C229 HydrophobicContact CD2-CB 3.81Å; L224-C229 HydrophobicContact CG-CB 4.18Å; D225-C229 WeakPolarHBondContact O-CB 3.41Å; D225-C229 PolarHBondContact O-N 3.49Å; N227-C229 VanDerWaalsContact C-N 3.32Å; N227-C229 PolarHBondContact O-N 2.81Å; C229-Y234 WeakPolarHBondContact O-CB 3.39Å; C229-Y234 PolarHBondContact O-N 3.39Å; C229-C237 HydrophobicContact CB-CB 4.06Å; C229-C237 WeakPolarHBondContact CB-SG 3.39Å; C229-C237 WeakPolarHBondContact O-CB 3.46Å; C229-C237 WeakPolarHBondContact SG-CB 3.43Å; C229-C237 CovalentContact SG-SG 2.04Å; C229-C237 PolarHBondContact SG-SG 2.97Å
230	I	97.3	Very high	94.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-75.7	-52.9	-179.7	-64.4	163.7	0	0	0	111.2	F192 I226 N227 V228 N233 C237 P326 A330 V333 L334 R337	F192-I230 HydrophobicContact CE1-CD1 4.36Å; I226-I230 HydrophobicContact CD1-CD1 3.97Å; I226-I230 HydrophobicContact CD1-CG1 4.2Å; I226-I230 HydrophobicContact CG1-CD1 3.86Å; I226-I230 WeakPolarHBondContact O-CD1 3.47Å; I226-I230 VanDerWaalsContact O-CG1 3.26Å; I226-I230 WeakPolarHBondContact O-CG1 3.38Å; I226-I230 PolarHBondContact O-N 3.12Å; N227-I230 PolarHBondContact O-N 2.91Å; N227-I230 VanDerWaalsContact O-N 3.13Å; V228-I230 VanDerWaalsContact C-N 3.3Å; V228-I230 PolarHBondContact O-N 3.48Å; I230-N233 PolarHBondContact O-N 3.47Å; I230-N233 VanDerWaalsContact O-N 3.15Å; I230-C237 HydrophobicContact CG1-CB 4Å; I230-P326 HydrophobicContact CD1-CB 4.31Å; I230-P326 HydrophobicContact CD1-CG 4.15Å; I230-A330 HydrophobicContact CB-CB 4.21Å; I230-A330 HydrophobicContact CD1-CB 4.12Å; I230-A330 HydrophobicContact CG2-CB 4.23Å; I230-A330 WeakPolarHBondContact CG2-O 3.48Å; I230-V333 HydrophobicContact CG2-CB 4.06Å; I230-V333 HydrophobicContact CG2-CG1 3.84Å; I230-L334 HydrophobicContact CD1-CB 4.42Å; I230-L334 HydrophobicContact CD1-CD1 4.5Å; I230-L334 HydrophobicContact CD1-CD2 4.03Å; I230-L334 HydrophobicContact CG1-CD1 4.4Å; I230-L334 HydrophobicContact CG2-CB 4.25Å; I230-R337 VanDerWaalsContact O-CZ 3.27Å; I230-R337 PolarHBondContact O-NH1 3.16Å; I230-R337 PolarHBondContact O-NH2 3.33Å
231	L	97.4	Very high	94.8	Very high	67 Å²	67	56.2 Å²	56.2	35%	0.351	28%	0.276	S	S	.	.	H	α-helix	trans	-66.2	-45.3	-172.9	-62.6	173.8	0	0	0	111.3	N227 V228 N233 E329 A330 V333	N227-L231 WeakPolarHBondContact O-CB 3.31Å; N227-L231 VanDerWaalsContact O-CG 3.32Å; N227-L231 WeakPolarHBondContact O-CG 3.42Å; N227-L231 PolarHBondContact O-N 3.05Å; V228-L231 PolarHBondContact O-N 3.01Å; L231-N233 PolarHBondContact O-N 3.27Å; L231-N233 VanDerWaalsContact O-N 3.14Å; L231-E329 HydrophobicContact CD2-CG 3.9Å; L231-A330 HydrophobicContact CD2-CB 4.26Å; L231-A330 HydrophobicContact CG-CB 4.27Å; L231-V333 HydrophobicContact CD2-CG2 4.13Å
232	E	97	Very high	95.1	Very high	128 Å²	128	53.1 Å²	53.1	60%	0.598	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	12.8	176.3	-57.4	-175.8	-178.3	0	0	113.5	V228 Y234	V228-E232 HydrophobicContact CG1-CG 4.23Å; V228-E232 VanDerWaalsContact O-CB 3.31Å; V228-E232 WeakPolarHBondContact O-CB 3.24Å; V228-E232 PolarHBondContact O-N 3.33Å; E232-Y234 VanDerWaalsContact C-N 3.3Å; E232-Y234 HydrophobicContact CB-CD2 3.99Å; E232-Y234 HydrophobicContact CB-CE2 3.91Å; E232-Y234 PolarHBondContact O-N 3.38Å
233	N	96.1	Very high	95.4	Very high	86 Å²	86	53.5 Å²	53.5	46%	0.46	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	33.5	169.1	-162.8	41.6	0	0	0	114.6	I230 L231 S238 R337	I230-N233 PolarHBondContact O-N 3.47Å; I230-N233 VanDerWaalsContact O-N 3.15Å; L231-N233 PolarHBondContact O-N 3.27Å; L231-N233 VanDerWaalsContact O-N 3.14Å; N233-S238 WeakPolarHBondContact OD1-CB 3.42Å; N233-S238 PolarHBondContact OD1-OG 2.03Å; N233-R337 PolarHBondContact OD1-NH2 3.1Å
234	Y	96.9	Very high	95.7	Very high	92 Å²	92	49.9 Å²	49.9	36%	0.361	25%	0.25	S	C	.	.			trans	-55.3	141.4	179.1	-86	-109.8	0	0	0	110.9	L224 V228 C229 E232 E236 C237 S238	L224-Y234 HydrophobicContact CD1-CE1 4.39Å; L224-Y234 HydrophobicContact CD1-CE2 4.43Å; L224-Y234 HydrophobicContact CD2-CD1 3.81Å; L224-Y234 HydrophobicContact CD2-CE1 3.84Å; L224-Y234 HydrophobicContact CD2-CG 4.19Å; V228-Y234 HydrophobicContact CG1-CE2 4.11Å; C229-Y234 WeakPolarHBondContact O-CB 3.39Å; C229-Y234 PolarHBondContact O-N 3.39Å; E232-Y234 VanDerWaalsContact C-N 3.3Å; E232-Y234 HydrophobicContact CB-CD2 3.99Å; E232-Y234 HydrophobicContact CB-CE2 3.91Å; E232-Y234 PolarHBondContact O-N 3.38Å; Y234-E236 PolarHBondContact O-N 3.45Å; Y234-C237 CarbonylContact O-C 3.58Å; Y234-C237 WeakPolarHBondContact O-CA 3.34Å; Y234-C237 PolarHBondContact O-N 3.1Å; Y234-S238 PolarHBondContact O-N 3.09Å
235	P	94.7	Very high	95.9	Very high	75 Å²	75	48.4 Å²	48.4	49%	0.487	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-23.6	-170.2	-30.8	36.4	0	0	0	116.3	R241	P235-R241 VanDerWaalsContact O-CB 3.31Å; P235-R241 WeakPolarHBondContact O-CB 3.37Å; P235-R241 WeakPolarHBondContact O-CD 3.38Å; P235-R241 WeakPolarHBondContact O-CG 3.36Å; P235-R241 PolarHBondContact O-NE 2.83Å
236	E	93.8	Very high	96	Very high	27 Å²	27	44.8 Å²	44.8	13%	0.126	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-17.6	175.2	63.4	169.9	-148.4	0	0	115.3	F192 Y196 R199 R200 Y234	F192-E236 WeakPolarHBondContact CE2-O 3.44Å; Y196-E236 WeakPolarHBondContact CE2-OE1 3.38Å; R199-E236 IonicContact CZ-OE2 2.72Å; R199-E236 IonicContact NH1-OE2 2.73Å; R199-E236 PolarHBondContact NH1-OE2 3.15Å; R199-E236 IonicContact NH2-OE2 2.74Å; R200-E236 IonicContact CZ-OE1 3.23Å; R200-E236 IonicContact NH1-OE1 3.1Å; R200-E236 PolarHBondContact NH1-OE1 3.08Å; R200-E236 IonicContact NH2-OE1 2.98Å; R200-E236 PolarHBondContact NH2-OE1 3.28Å; Y234-E236 PolarHBondContact O-N 3.45Å
237	C	96.2	Very high	96.1	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-102.5	10	176.5	-66.5	0	0	0	0	112.2	F192 C229 I230 Y234 R337	F192-C237 HydrophobicContact CZ-CB 4.16Å; C229-C237 HydrophobicContact CB-CB 4.06Å; C229-C237 WeakPolarHBondContact CB-SG 3.39Å; C229-C237 WeakPolarHBondContact O-CB 3.46Å; C229-C237 WeakPolarHBondContact SG-CB 3.43Å; C229-C237 CovalentContact SG-SG 2.04Å; C229-C237 PolarHBondContact SG-SG 2.97Å; I230-C237 HydrophobicContact CG1-CB 4Å; Y234-C237 CarbonylContact O-C 3.58Å; Y234-C237 WeakPolarHBondContact O-CA 3.34Å; Y234-C237 PolarHBondContact O-N 3.1Å; C237-R337 PolarHBondContact O-NH1 3.31Å
238	S	96	Very high	96.2	Very high	14 Å²	14	43.9 Å²	43.9	10%	0.098	22%	0.218	C	C	.	.	S	Bend	trans	-131.9	173.6	-179.7	-160.1	0	0	0	0	113.8	N233 Y234 R241 V242	N233-S238 WeakPolarHBondContact OD1-CB 3.42Å; N233-S238 PolarHBondContact OD1-OG 2.03Å; Y234-S238 PolarHBondContact O-N 3.09Å; S238-R241 PolarHBondContact O-N 2.82Å; S238-V242 PolarHBondContact O-N 3.39Å
239	N	92.5	Very high	96.3	Very high	62 Å²	62	41.6 Å²	41.6	33%	0.332	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	146.5	175.1	-84.2	-42.7	0	0	0	111	V242 P259 R337	N239-V242 WeakPolarHBondContact OD1-CG2 3.47Å; N239-P259 HydrophobicContact CB-CG 4.33Å; N239-R337 PolarHBondContact ND2-O 3.25Å
240	P	92.9	Very high	96.3	Very high	81 Å²	81	41.9 Å²	41.9	53%	0.526	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	cis	-87.5	10.4	0.4	36.3	-37	0	0	0	114.1	P259	P240-P259 HydrophobicContact CB-CG 4.26Å
241	R	93.5	Very high	96.3	Very high	154 Å²	154	42 Å²	42	58%	0.581	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-25.2	-173.8	-59	-158.8	-163.7	159.4	-1.1	114.3	P235 S238	P235-R241 VanDerWaalsContact O-CB 3.31Å; P235-R241 WeakPolarHBondContact O-CB 3.37Å; P235-R241 WeakPolarHBondContact O-CD 3.38Å; P235-R241 WeakPolarHBondContact O-CG 3.36Å; P235-R241 PolarHBondContact O-NE 2.83Å; S238-R241 PolarHBondContact O-N 2.82Å
242	V	95.3	Very high	96.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-72.4	-31.2	173.8	-65.1	0	0	0	0	112.7	F192 S238 N239 Y244 L334 R337 M338	F192-V242 HydrophobicContact CD2-CG1 4.08Å; F192-V242 HydrophobicContact CE2-CG1 3.89Å; S238-V242 PolarHBondContact O-N 3.39Å; N239-V242 WeakPolarHBondContact OD1-CG2 3.47Å; V242-Y244 PolarHBondContact O-N 2.96Å; V242-L334 HydrophobicContact CG1-CD1 4.18Å; V242-R337 HydrophobicContact CG2-CB 4.36Å; V242-M338 HydrophobicContact CB-CE 3.71Å; V242-M338 HydrophobicContact CB-CG 4.35Å; V242-M338 HydrophobicContact CG1-CE 3.98Å; V242-M338 HydrophobicContact CG2-CG 4.32Å
243	F	96.9	Very high	96.2	Very high	14 Å²	14	37.8 Å²	37.8	6%	0.061	19%	0.186	C	C	.	.			trans	-69.6	108.5	175.3	-174.2	-107.3	0	0	0	111.3	I246 P247 P259 A263 E341	F243-I246 HydrophobicContact CD2-CD1 4.34Å; F243-I246 HydrophobicContact CE1-CB 4.49Å; F243-I246 HydrophobicContact CE1-CG2 4.29Å; F243-I246 HydrophobicContact CE2-CB 3.78Å; F243-I246 HydrophobicContact CE2-CD1 3.52Å; F243-I246 HydrophobicContact CE2-CG1 4.26Å; F243-I246 HydrophobicContact CE2-CG2 3.93Å; F243-I246 HydrophobicContact CZ-CB 3.72Å; F243-I246 HydrophobicContact CZ-CD1 4.2Å; F243-I246 HydrophobicContact CZ-CG2 3.44Å; F243-I246 VanDerWaalsContact CZ-CG2 3.44Å; F243-P247 HydrophobicContact CD1-CG 3.65Å; F243-P247 HydrophobicContact CE1-CG 3.63Å; F243-P259 HydrophobicContact CB-CB 4.4Å; F243-P259 HydrophobicContact CB-CG 3.83Å; F243-P259 HydrophobicContact CD1-CB 4.42Å; F243-P259 HydrophobicContact CD1-CG 4.09Å; F243-P259 HydrophobicContact CD2-CB 3.87Å; F243-P259 HydrophobicContact CD2-CG 4.2Å; F243-P259 HydrophobicContact CE2-CB 4.13Å; F243-P259 HydrophobicContact CG-CB 4.02Å; F243-P259 HydrophobicContact CG-CG 3.83Å; F243-A263 HydrophobicContact CZ-CB 4.01Å; F243-E341 HydrophobicContact CD2-CG 4.05Å
244	Y	96.6	Very high	96.2	Very high	62 Å²	62	36.9 Å²	36.9	24%	0.243	18%	0.184	C	C	.	.			trans	-145.1	-37.1	-163.2	-171.7	-85.3	0	0	0	114.9	V107 R191 V242 Y248 E341	V107-Y244 HydrophobicContact CG1-CD1 4.08Å; V107-Y244 HydrophobicContact CG1-CE1 3.83Å; R191-Y244 VanDerWaalsContact CZ-CD1 3.47Å; R191-Y244 VanDerWaalsContact CZ-CG 3.48Å; R191-Y244 VanDerWaalsContact NH1-CG 3.27Å; R191-Y244 VanDerWaalsContact NH2-CB 3.31Å; V242-Y244 PolarHBondContact O-N 2.96Å; Y244-Y248 HydrophobicContact CD1-CE2 4.23Å; Y244-Y248 HydrophobicContact CE1-CD2 4.38Å; Y244-Y248 AromaticContact CE1-CE2 3.64Å; Y244-Y248 HydrophobicContact CE1-CE2 3.64Å; Y244-Y248 HydrophobicContact CE2-CE2 4.49Å; Y244-Y248 AromaticContact CZ-CE2 3.77Å; Y244-Y248 VanDerWaalsContact O-CD2 3.31Å; Y244-Y248 WeakPolarHBondContact O-CD2 3.26Å; Y244-Y248 PolarHBondContact OH-OH 3.04Å; Y244-Y248 VanDerWaalsContact OH-OH 3.13Å; Y244-E341 PolarHBondContact N-OE1 3.12Å
245	I	98.1	Very high	96.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-75.9	-55	-178.1	-53.8	177.2	0	0	0	109.7	V107 I185 R186 P188 Y248 F249 E341 F344	V107-I245 HydrophobicContact CG1-CG1 4.48Å; I185-I245 HydrophobicContact CB-CG2 4.2Å; I185-I245 HydrophobicContact CG2-CG2 3.74Å; R186-I245 WeakPolarHBondContact O-CD1 3.42Å; P188-I245 HydrophobicContact CG-CD1 4.4Å; I245-Y248 WeakPolarHBondContact O-CB 3.5Å; I245-Y248 PolarHBondContact O-N 2.81Å; I245-F249 HydrophobicContact CG2-CD2 4.22Å; I245-F249 HydrophobicContact CG2-CE2 3.83Å; I245-F249 WeakPolarHBondContact O-CD2 3.25Å; I245-E341 WeakPolarHBondContact CA-OE2 3.37Å; I245-E341 WeakPolarHBondContact CB-OE2 3.32Å; I245-E341 PolarHBondContact N-OE1 3.09Å; I245-E341 PolarHBondContact N-OE2 2.9Å; I245-E341 VanDerWaalsContact N-OE2 3.1Å; I245-F344 HydrophobicContact CG2-CD1 4.04Å; I245-F344 HydrophobicContact CG2-CE1 3.96Å
246	I	98.6	Very high	96.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-49.6	-46.4	-179.9	-73.4	160.3	0	0	0	113.4	F243 Y248 F249 C250 A263 L264 A267 Y340 E341 F344	F243-I246 HydrophobicContact CD2-CD1 4.34Å; F243-I246 HydrophobicContact CE1-CB 4.49Å; F243-I246 HydrophobicContact CE1-CG2 4.29Å; F243-I246 HydrophobicContact CE2-CB 3.78Å; F243-I246 HydrophobicContact CE2-CD1 3.52Å; F243-I246 HydrophobicContact CE2-CG1 4.26Å; F243-I246 HydrophobicContact CE2-CG2 3.93Å; F243-I246 HydrophobicContact CZ-CB 3.72Å; F243-I246 HydrophobicContact CZ-CD1 4.2Å; F243-I246 HydrophobicContact CZ-CG2 3.44Å; F243-I246 VanDerWaalsContact CZ-CG2 3.44Å; I246-Y248 PolarHBondContact O-N 3.05Å; I246-Y248 VanDerWaalsContact O-N 3.12Å; I246-F249 PolarHBondContact O-N 3.1Å; I246-C250 HydrophobicContact CG2-CB 4.36Å; I246-C250 WeakPolarHBondContact O-CB 3.46Å; I246-C250 PolarHBondContact O-N 3.02Å; I246-A263 HydrophobicContact CG2-CB 4.17Å; I246-A263 WeakPolarHBondContact CG2-O 3.19Å; I246-L264 HydrophobicContact CD1-CB 4.49Å; I246-L264 HydrophobicContact CD1-CD1 3.86Å; I246-L264 HydrophobicContact CG1-CD1 4.35Å; I246-A267 HydrophobicContact CG2-CB 3.96Å; I246-Y340 WeakPolarHBondContact CD1-O 3.3Å; I246-E341 HydrophobicContact CD1-CG 4.45Å; I246-E341 WeakPolarHBondContact CG1-OE2 3.45Å; I246-E341 PolarHBondContact N-OE2 2.95Å; I246-F344 HydrophobicContact CD1-CB 3.84Å; I246-F344 HydrophobicContact CD1-CG 4.41Å; I246-F344 HydrophobicContact CG1-CB 3.64Å; I246-F344 HydrophobicContact CG1-CD1 3.95Å; I246-F344 HydrophobicContact CG1-CD2 4.25Å; I246-F344 HydrophobicContact CG1-CG 3.67Å
247	P	98	Very high	96.2	Very high	8 Å²	8	37.8 Å²	37.8	5%	0.052	18%	0.179	C	C	.	.	H	α-helix	trans	-52	-34.4	175.4	-28	31.7	0	0	0	114.8	H167 F243 F249 G251 C256	H167-P247 WeakPolarHBondContact CB-O 3.32Å; H167-P247 VanDerWaalsContact CG-O 3.25Å; H167-P247 PolarHBondContact ND1-O 3.49Å; F243-P247 HydrophobicContact CD1-CG 3.65Å; F243-P247 HydrophobicContact CE1-CG 3.63Å; P247-F249 VanDerWaalsContact C-N 3.28Å; P247-F249 PolarHBondContact O-N 3.43Å; P247-G251 PolarHBondContact O-N 3.23Å; P247-G251 VanDerWaalsContact O-N 3.1Å; P247-C256 WeakPolarHBondContact CB-O 2.98Å; P247-C256 WeakPolarHBondContact CG-O 3.08Å
248	Y	98.1	Very high	96.1	Very high	3 Å²	3	43.3 Å²	43.3	1%	0.012	21%	0.205	C	C	.	.	H	α-helix	trans	-67.4	-27	178.2	-87.7	-107.3	0	0	0	113.4	N105 R106 V107 T139 V166 F168 Y244 I245 I246	N105-Y248 PolarHBondContact ND2-O 3.47Å; N105-Y248 WeakPolarHBondContact O-CD1 3.37Å; R106-Y248 VanDerWaalsContact O-CE1 3.32Å; R106-Y248 WeakPolarHBondContact O-CE1 3.43Å; V107-Y248 HydrophobicContact CG1-CD2 4.42Å; V107-Y248 HydrophobicContact CG2-CD1 4.03Å; V107-Y248 HydrophobicContact CG2-CG 3.96Å; T139-Y248 WeakPolarHBondContact CG2-OH 3.33Å; V166-Y248 WeakPolarHBondContact O-CD1 3.43Å; F168-Y248 WeakPolarHBondContact CB-O 3.34Å; F168-Y248 PolarHBondContact N-O 2.97Å; Y244-Y248 HydrophobicContact CD1-CE2 4.23Å; Y244-Y248 HydrophobicContact CE1-CD2 4.38Å; Y244-Y248 AromaticContact CE1-CE2 3.64Å; Y244-Y248 HydrophobicContact CE1-CE2 3.64Å; Y244-Y248 HydrophobicContact CE2-CE2 4.49Å; Y244-Y248 AromaticContact CZ-CE2 3.77Å; Y244-Y248 VanDerWaalsContact O-CD2 3.31Å; Y244-Y248 WeakPolarHBondContact O-CD2 3.26Å; Y244-Y248 PolarHBondContact OH-OH 3.04Å; Y244-Y248 VanDerWaalsContact OH-OH 3.13Å; I245-Y248 WeakPolarHBondContact O-CB 3.5Å; I245-Y248 PolarHBondContact O-N 2.81Å; I246-Y248 PolarHBondContact O-N 3.05Å; I246-Y248 VanDerWaalsContact O-N 3.12Å
249	F	98.7	Very high	96	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-100.3	-38.4	-179.2	-65.4	-89.7	0	0	0	111.9	V107 F168 N183 I185 I245 I246 P247 G251 A267 N270 V271 Y275 V278 F344	V107-F249 HydrophobicContact CG2-CE2 3.96Å; V107-F249 HydrophobicContact CG2-CZ 4.37Å; F168-F249 WeakPolarHBondContact CB-O 3.45Å; N183-F249 HydrophobicContact CB-CE1 3.79Å; N183-F249 HydrophobicContact CB-CZ 3.69Å; I185-F249 HydrophobicContact CG2-CE2 3.52Å; I185-F249 HydrophobicContact CG2-CZ 3.5Å; I185-F249 VanDerWaalsContact CG2-CZ 3.5Å; I245-F249 HydrophobicContact CG2-CD2 4.22Å; I245-F249 HydrophobicContact CG2-CE2 3.83Å; I245-F249 WeakPolarHBondContact O-CD2 3.25Å; I246-F249 PolarHBondContact O-N 3.1Å; P247-F249 VanDerWaalsContact C-N 3.28Å; P247-F249 PolarHBondContact O-N 3.43Å; F249-G251 VanDerWaalsContact C-N 3.28Å; F249-G251 PolarHBondContact O-N 2.98Å; F249-A267 HydrophobicContact CB-CB 3.82Å; F249-N270 WeakPolarHBondContact O-CB 3.29Å; F249-N270 PolarHBondContact O-ND2 3.16Å; F249-V271 HydrophobicContact CB-CG2 4.28Å; F249-V271 HydrophobicContact CD1-CG2 3.51Å; F249-V271 HydrophobicContact CE1-CG2 4.16Å; F249-V271 HydrophobicContact CG-CG2 4.15Å; F249-Y275 HydrophobicContact CD1-CD1 4.4Å; F249-Y275 HydrophobicContact CD1-CD2 4.5Å; F249-Y275 AromaticContact CD1-CE1 3.83Å; F249-Y275 HydrophobicContact CD1-CE1 3.83Å; F249-Y275 AromaticContact CD1-CE2 3.92Å; F249-Y275 HydrophobicContact CD1-CE2 3.92Å; F249-Y275 AromaticContact CD1-CZ 3.56Å; F249-Y275 HydrophobicContact CE1-CD1 4.05Å; F249-Y275 AromaticContact CE1-CE1 3.58Å; F249-Y275 HydrophobicContact CE1-CE1 3.58Å; F249-Y275 HydrophobicContact CE1-CE2 4.48Å; F249-Y275 AromaticContact CE1-CZ 3.83Å; F249-V278 HydrophobicContact CE1-CG1 3.94Å; F249-V278 HydrophobicContact CE1-CG2 3.83Å; F249-V278 HydrophobicContact CZ-CG1 3.88Å; F249-F344 HydrophobicContact CB-CE1 4.46Å; F249-F344 HydrophobicContact CB-CE2 4.47Å; F249-F344 HydrophobicContact CB-CZ 3.79Å; F249-F344 HydrophobicContact CD1-CZ 4.11Å; F249-F344 AromaticContact CD2-CE1 3.48Å; F249-F344 HydrophobicContact CD2-CE1 3.48Å; F249-F344 VanDerWaalsContact CD2-CE1 3.48Å; F249-F344 AromaticContact CD2-CZ 3.59Å; F249-F344 HydrophobicContact CD2-CZ 3.59Å; F249-F344 AromaticContact CE2-CE1 3.8Å; F249-F344 HydrophobicContact CE2-CE1 3.8Å; F249-F344 HydrophobicContact CE2-CZ 4.17Å; F249-F344 AromaticContact CG-CE1 3.98Å; F249-F344 HydrophobicContact CG-CE1 3.98Å; F249-F344 AromaticContact CG-CZ 3.56Å; F249-F344 HydrophobicContact CG-CZ 3.56Å
250	C	98.6	Very high	96.2	Very high	6 Å²	6	42.7 Å²	42.7	4%	0.041	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-37.1	173.2	-179.3	0	0	0	0	111.8	I246 C256 R266 A267 N270	I246-C250 HydrophobicContact CG2-CB 4.36Å; I246-C250 WeakPolarHBondContact O-CB 3.46Å; I246-C250 PolarHBondContact O-N 3.02Å; C250-C256 HydrophobicContact CB-CB 3.6Å; C250-C256 WeakPolarHBondContact CB-SG 3.33Å; C250-C256 PolarHBondContact O-SG 3.2Å; C250-C256 WeakPolarHBondContact SG-CA 3.24Å; C250-C256 WeakPolarHBondContact SG-CB 3.45Å; C250-C256 CovalentContact SG-SG 2.03Å; C250-C256 PolarHBondContact SG-SG 3.37Å; C250-R266 HydrophobicContact CB-CG 4.45Å; C250-A267 HydrophobicContact CB-CB 4.1Å; C250-N270 PolarHBondContact O-ND2 3.08Å
251	G	97.2	Very high	96.4	Very high	2 Å²	2	43 Å²	43	2%	0.021	21%	0.207	C	C	.	.			trans	106.3	-150	168	0	0	0	0	0	115.3	H167 F168 P247 F249	H167-G251 WeakPolarHBondContact CB-O 3.17Å; H167-G251 PolarHBondContact ND1-O 3.02Å; H167-G251 VanDerWaalsContact ND1-O 3.1Å; F168-G251 WeakPolarHBondContact O-CA 3.42Å; P247-G251 PolarHBondContact O-N 3.23Å; P247-G251 VanDerWaalsContact O-N 3.1Å; F249-G251 VanDerWaalsContact C-N 3.28Å; F249-G251 PolarHBondContact O-N 2.98Å
252	Q	96.8	Very high	96.6	Very high	22 Å²	22	40.6 Å²	40.6	10%	0.103	20%	0.198	C	C	.	.	S	Bend	trans	-84.2	-6.4	-171.5	-61.5	-65.1	-19.5	0	0	114.8	T139 Q146 H167 F168 M169	T139-Q252 PolarHBondContact O-NE2 3.41Å; T139-Q252 VanDerWaalsContact O-NE2 3.09Å; Q146-Q252 HydrophobicContact CG-CG 4.37Å; H167-Q252 PolarHBondContact O-NE2 2.85Å; H167-Q252 VanDerWaalsContact O-NE2 3.16Å; F168-Q252 PolarHBondContact O-N 3.05Å; M169-Q252 HydrophobicContact CG-CG 3.96Å
253	H	95.7	Very high	96.8	Very high	86 Å²	86	40.7 Å²	40.7	40%	0.398	20%	0.199	S	C	.	.	S	Bend	trans	-65.5	142.6	-176.9	-169.3	-99.2	0	0	0	112	K255 C256 W262	H253-K255 PolarHBondContact ND1-N 2.89Å; H253-K255 PolarHBondContact O-N 2.8Å; H253-C256 VanDerWaalsContact O-CB 3.24Å; H253-C256 WeakPolarHBondContact O-CB 3.41Å; H253-C256 PolarHBondContact O-N 2.84Å; H253-W262 HydrophobicContact CB-CH2 4.16Å; H253-W262 AromaticContact CE1-CH2 3.89Å; H253-W262 AromaticContact CG-CH2 3.79Å; H253-W262 AromaticContact ND1-CH2 3.25Å; H253-W262 VanDerWaalsContact ND1-CH2 3.25Å; H253-W262 WeakPolarHBondContact ND1-CH2 3.28Å; H253-W262 AromaticContact ND1-CZ2 4Å; H253-W262 AromaticContact ND1-CZ3 3.7Å
254	P	95	Very high	96.9	Very high	66 Å²	66	40 Å²	40	43%	0.429	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-54.8	-47.8	-179.6	-29	37	0	0	0	114.3	C256 R257	P254-C256 PolarHBondContact O-N 3.1Å; P254-R257 VanDerWaalsContact O-CB 3.29Å; P254-R257 WeakPolarHBondContact O-CB 3.36Å; P254-R257 WeakPolarHBondContact O-CD 3.36Å; P254-R257 WeakPolarHBondContact O-CG 3.44Å; P254-R257 PolarHBondContact O-N 3.1Å
255	K	95.9	Very high	96.9	Very high	114 Å²	114	41.2 Å²	41.2	50%	0.496	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-58.7	-15.9	176.9	-64.6	-170.5	175.5	-163.8	0	114.6	H253 R257 E258 W262	H253-K255 PolarHBondContact ND1-N 2.89Å; H253-K255 PolarHBondContact O-N 2.8Å; K255-R257 PolarHBondContact O-N 2.9Å; K255-R257 VanDerWaalsContact O-N 3.16Å; K255-E258 PolarHBondContact O-N 3.34Å; K255-W262 HydrophobicContact CB-CD2 4.15Å; K255-W262 HydrophobicContact CB-CE3 3.46Å; K255-W262 VanDerWaalsContact CB-CE3 3.46Å; K255-W262 HydrophobicContact CB-CH2 4.17Å; K255-W262 HydrophobicContact CB-CZ3 3.5Å; K255-W262 VanDerWaalsContact CB-CZ3 3.5Å; K255-W262 HydrophobicContact CD-CD2 4.2Å; K255-W262 HydrophobicContact CD-CE3 4.37Å
256	C	97.2	Very high	97	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-70.9	-0.3	172.4	-63	0	0	0	0	114	P247 C250 H253 P254	P247-C256 WeakPolarHBondContact CB-O 2.98Å; P247-C256 WeakPolarHBondContact CG-O 3.08Å; C250-C256 HydrophobicContact CB-CB 3.6Å; C250-C256 WeakPolarHBondContact CB-SG 3.33Å; C250-C256 PolarHBondContact O-SG 3.2Å; C250-C256 WeakPolarHBondContact SG-CA 3.24Å; C250-C256 WeakPolarHBondContact SG-CB 3.45Å; C250-C256 CovalentContact SG-SG 2.03Å; C250-C256 PolarHBondContact SG-SG 3.37Å; H253-C256 VanDerWaalsContact O-CB 3.24Å; H253-C256 WeakPolarHBondContact O-CB 3.41Å; H253-C256 PolarHBondContact O-N 2.84Å; P254-C256 PolarHBondContact O-N 3.1Å
257	R	92.9	Very high	97	Very high	99 Å²	99	45 Å²	45	37%	0.374	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-100.4	-15.2	-178.5	-57.6	164.7	-165.5	164.2	5.6	112.4	P254 K255	P254-R257 VanDerWaalsContact O-CB 3.29Å; P254-R257 WeakPolarHBondContact O-CB 3.36Å; P254-R257 WeakPolarHBondContact O-CD 3.36Å; P254-R257 WeakPolarHBondContact O-CG 3.44Å; P254-R257 PolarHBondContact O-N 3.1Å; K255-R257 PolarHBondContact O-N 2.9Å; K255-R257 VanDerWaalsContact O-N 3.16Å
258	E	93.4	Very high	97	Very high	117 Å²	117	45.9 Å²	45.9	55%	0.547	22%	0.221	S	C	.	.	S	Bend	trans	-97.5	129.7	179.4	-74.4	136.4	-144.2	0	0	109	K255 G260	K255-E258 PolarHBondContact O-N 3.34Å; E258-G260 PolarHBondContact O-N 3.3Å
259	P	95	Very high	97	Very high	44 Å²	44	49.1 Å²	49.1	29%	0.286	24%	0.237	S	C	.	.			trans	-65.1	118.4	171.8	-15.3	28.4	0	0	0	109.9	N239 P240 F243 Y340	N239-P259 HydrophobicContact CB-CG 4.33Å; P240-P259 HydrophobicContact CB-CG 4.26Å; F243-P259 HydrophobicContact CB-CB 4.4Å; F243-P259 HydrophobicContact CB-CG 3.83Å; F243-P259 HydrophobicContact CD1-CB 4.42Å; F243-P259 HydrophobicContact CD1-CG 4.09Å; F243-P259 HydrophobicContact CD2-CB 3.87Å; F243-P259 HydrophobicContact CD2-CG 4.2Å; F243-P259 HydrophobicContact CE2-CB 4.13Å; F243-P259 HydrophobicContact CG-CB 4.02Å; F243-P259 HydrophobicContact CG-CG 3.83Å; P259-Y340 HydrophobicContact CB-CD2 4.1Å; P259-Y340 HydrophobicContact CB-CE2 4.38Å
260	G	95.3	Very high	97	Very high	18 Å²	18	49.7 Å²	49.7	19%	0.186	24%	0.24	C	C	.	.	S	Bend	trans	179.3	161.6	-178	0	0	0	0	0	113.2	E258 W262 A263 L264	E258-G260 PolarHBondContact O-N 3.3Å; G260-W262 VanDerWaalsContact C-N 3.26Å; G260-W262 PolarHBondContact O-N 3.35Å; G260-A263 PolarHBondContact O-N 2.82Å; G260-L264 PolarHBondContact O-N 2.82Å
261	V	97.6	Very high	97	Very high	87 Å²	87	50 Å²	50	53%	0.527	24%	0.241	S	C	.	.	H	α-helix	trans	-52.1	-42.7	-178.2	-177.4	0	0	0	0	111.8	A263 L264 E265 Y340	V261-A263 VanDerWaalsContact C-N 3.34Å; V261-A263 PolarHBondContact O-N 2.62Å; V261-L264 WeakPolarHBondContact O-CB 3.32Å; V261-L264 PolarHBondContact O-N 3.36Å; V261-E265 HydrophobicContact CG1-CG 4.08Å; V261-E265 PolarHBondContact O-N 3.24Å; V261-Y340 HydrophobicContact CG2-CE1 4.04Å
262	W	98.1	Very high	97	Very high	104 Å²	104	55.1 Å²	55.1	39%	0.394	27%	0.268	S	S	.	.	H	α-helix	trans	-58.2	-42.6	178.9	-174.6	93.3	0	0	0	113.3	H253 K255 G260 R266	H253-W262 HydrophobicContact CB-CH2 4.16Å; H253-W262 AromaticContact CE1-CH2 3.89Å; H253-W262 AromaticContact CG-CH2 3.79Å; H253-W262 AromaticContact ND1-CH2 3.25Å; H253-W262 VanDerWaalsContact ND1-CH2 3.25Å; H253-W262 WeakPolarHBondContact ND1-CH2 3.28Å; H253-W262 AromaticContact ND1-CZ2 4Å; H253-W262 AromaticContact ND1-CZ3 3.7Å; K255-W262 HydrophobicContact CB-CD2 4.15Å; K255-W262 HydrophobicContact CB-CE3 3.46Å; K255-W262 VanDerWaalsContact CB-CE3 3.46Å; K255-W262 HydrophobicContact CB-CH2 4.17Å; K255-W262 HydrophobicContact CB-CZ3 3.5Å; K255-W262 VanDerWaalsContact CB-CZ3 3.5Å; K255-W262 HydrophobicContact CD-CD2 4.2Å; K255-W262 HydrophobicContact CD-CE3 4.37Å; G260-W262 VanDerWaalsContact C-N 3.26Å; G260-W262 PolarHBondContact O-N 3.35Å; W262-R266 HydrophobicContact CH2-CB 4.37Å; W262-R266 HydrophobicContact CH2-CG 4.09Å; W262-R266 HydrophobicContact CZ3-CB 4.29Å; W262-R266 HydrophobicContact CZ3-CG 4.32Å; W262-R266 WeakPolarHBondContact O-CB 3.31Å; W262-R266 PolarHBondContact O-N 2.69Å
263	A	98.5	Very high	97	Very high	2 Å²	2	59.5 Å²	59.5	2%	0.017	29%	0.288	C	S	.	.	H	α-helix	trans	-72.6	-36.3	-178.6	0	0	0	0	0	111.4	F243 I246 G260 V261 A267	F243-A263 HydrophobicContact CZ-CB 4.01Å; I246-A263 HydrophobicContact CG2-CB 4.17Å; I246-A263 WeakPolarHBondContact CG2-O 3.19Å; G260-A263 PolarHBondContact O-N 2.82Å; V261-A263 VanDerWaalsContact C-N 3.34Å; V261-A263 PolarHBondContact O-N 2.62Å; A263-A267 WeakPolarHBondContact O-CB 3.37Å; A263-A267 PolarHBondContact O-N 2.86Å
264	L	98.6	Very high	97	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-63.8	-55	174.6	174.1	60.9	0	0	0	111.9	I246 G260 V261 R266 A267 K268 Y340 E343 F344	I246-L264 HydrophobicContact CD1-CB 4.49Å; I246-L264 HydrophobicContact CD1-CD1 3.86Å; I246-L264 HydrophobicContact CG1-CD1 4.35Å; G260-L264 PolarHBondContact O-N 2.82Å; V261-L264 WeakPolarHBondContact O-CB 3.32Å; V261-L264 PolarHBondContact O-N 3.36Å; L264-R266 VanDerWaalsContact C-N 3.33Å; L264-R266 PolarHBondContact O-N 2.62Å; L264-A267 WeakPolarHBondContact O-CA 3.39Å; L264-A267 WeakPolarHBondContact O-CB 3.32Å; L264-A267 PolarHBondContact O-N 2.99Å; L264-K268 HydrophobicContact CD1-CG 4.39Å; L264-K268 PolarHBondContact O-N 3.4Å; L264-Y340 HydrophobicContact CD2-CD1 3.89Å; L264-E343 HydrophobicContact CD2-CB 4.25Å; L264-E343 VanDerWaalsContact CD2-CD 3.43Å; L264-E343 HydrophobicContact CD2-CG 4.31Å; L264-E343 WeakPolarHBondContact CD2-OE1 3.19Å; L264-E343 VanDerWaalsContact CD2-OE2 3.26Å; L264-E343 WeakPolarHBondContact CD2-OE2 3.43Å; L264-F344 HydrophobicContact CD1-CB 3.61Å; L264-F344 HydrophobicContact CD1-CD2 4.06Å; L264-F344 HydrophobicContact CD1-CG 4.28Å
265	E	98.6	Very high	97.2	Very high	86 Å²	86	54.3 Å²	54.3	40%	0.402	26%	0.258	S	S	.	.	H	α-helix	trans	-63.7	-38.8	-179.5	-68	-46.8	117.7	0	0	111.9	V261 A267 K268 Q269	V261-E265 HydrophobicContact CG1-CG 4.08Å; V261-E265 PolarHBondContact O-N 3.24Å; E265-A267 VanDerWaalsContact C-N 3.28Å; E265-A267 PolarHBondContact O-N 2.99Å; E265-K268 PolarHBondContact O-N 2.88Å; E265-K268 WeakPolarHBondContact OE1-CD 3.47Å; E265-K268 WeakPolarHBondContact OE1-CE 3.28Å; E265-K268 IonicContact OE1-NZ 2.72Å; E265-K268 PolarHBondContact OE1-NZ 2.75Å; E265-Q269 WeakPolarHBondContact O-CB 3.48Å; E265-Q269 PolarHBondContact O-N 3.26Å
266	R	98.6	Very high	97.2	Very high	80 Å²	80	51 Å²	51	30%	0.302	25%	0.246	S	C	.	.	H	α-helix	trans	-61.7	-35.8	172.5	-178.8	55.6	60	-169.7	-7.9	112.2	C250 W262 L264 N270	C250-R266 HydrophobicContact CB-CG 4.45Å; W262-R266 HydrophobicContact CH2-CB 4.37Å; W262-R266 HydrophobicContact CH2-CG 4.09Å; W262-R266 HydrophobicContact CZ3-CB 4.29Å; W262-R266 HydrophobicContact CZ3-CG 4.32Å; W262-R266 WeakPolarHBondContact O-CB 3.31Å; W262-R266 PolarHBondContact O-N 2.69Å; L264-R266 VanDerWaalsContact C-N 3.33Å; L264-R266 PolarHBondContact O-N 2.62Å; R266-N270 WeakPolarHBondContact O-CB 3.08Å; R266-N270 PolarHBondContact O-N 2.77Å; R266-N270 PolarHBondContact O-ND2 3.05Å
267	A	98.8	Very high	97.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-69.3	-46.2	174.3	0	0	0	0	0	112.2	I246 F249 C250 A263 L264 E265 Q269 N270 V271 F344	I246-A267 HydrophobicContact CG2-CB 3.96Å; F249-A267 HydrophobicContact CB-CB 3.82Å; C250-A267 HydrophobicContact CB-CB 4.1Å; A263-A267 WeakPolarHBondContact O-CB 3.37Å; A263-A267 PolarHBondContact O-N 2.86Å; L264-A267 WeakPolarHBondContact O-CA 3.39Å; L264-A267 WeakPolarHBondContact O-CB 3.32Å; L264-A267 PolarHBondContact O-N 2.99Å; E265-A267 VanDerWaalsContact C-N 3.28Å; E265-A267 PolarHBondContact O-N 2.99Å; A267-Q269 VanDerWaalsContact C-N 3.34Å; A267-Q269 PolarHBondContact O-N 3.48Å; A267-N270 PolarHBondContact O-N 2.87Å; A267-V271 VanDerWaalsContact O-CG2 3.29Å; A267-V271 WeakPolarHBondContact O-CG2 3.41Å; A267-V271 PolarHBondContact O-N 2.87Å; A267-V271 VanDerWaalsContact O-N 3.07Å; A267-F344 HydrophobicContact CB-CD2 4.07Å; A267-F344 HydrophobicContact CB-CE2 3.65Å; A267-F344 HydrophobicContact CB-CZ 4.21Å
268	K	98.8	Very high	97.5	Very high	26 Å²	26	47.2 Å²	47.2	11%	0.113	23%	0.234	C	C	.	.	H	α-helix	trans	-56.9	-47.2	174.9	-66.3	178.5	-173.5	162.5	0	111	L264 E265 V271 L272 E343 F344 F347	L264-K268 HydrophobicContact CD1-CG 4.39Å; L264-K268 PolarHBondContact O-N 3.4Å; E265-K268 PolarHBondContact O-N 2.88Å; E265-K268 WeakPolarHBondContact OE1-CD 3.47Å; E265-K268 WeakPolarHBondContact OE1-CE 3.28Å; E265-K268 IonicContact OE1-NZ 2.72Å; E265-K268 PolarHBondContact OE1-NZ 2.75Å; K268-V271 WeakPolarHBondContact O-CB 3.29Å; K268-V271 PolarHBondContact O-N 3.18Å; K268-L272 WeakPolarHBondContact O-CG 3.49Å; K268-L272 PolarHBondContact O-N 2.88Å; K268-L272 VanDerWaalsContact O-N 3.16Å; K268-E343 IonicContact NZ-OE1 3.29Å; K268-E343 PolarHBondContact NZ-OE1 3.21Å; K268-F344 HydrophobicContact CG-CD2 4.19Å; K268-F347 HydrophobicContact CB-CD1 4.34Å; K268-F347 HydrophobicContact CB-CE1 3.92Å; K268-F347 HydrophobicContact CB-CE2 4.44Å; K268-F347 HydrophobicContact CB-CZ 3.97Å; K268-F347 HydrophobicContact CD-CD2 4.25Å; K268-F347 HydrophobicContact CD-CG 4.26Å; K268-F347 HydrophobicContact CG-CD1 3.82Å; K268-F347 HydrophobicContact CG-CD2 4.35Å; K268-F347 HydrophobicContact CG-CE1 3.93Å; K268-F347 HydrophobicContact CG-CE2 4.44Å; K268-F347 HydrophobicContact CG-CG 4.04Å; K268-F347 HydrophobicContact CG-CZ 4.23Å
269	Q	98.4	Very high	97.7	Very high	72 Å²	72	41.7 Å²	41.7	34%	0.336	21%	0.207	S	C	.	.	H	α-helix	trans	-58.6	-52.6	176.3	-179.2	174.7	17.5	0	0	112.1	E265 A267 V271 L272 E273	E265-Q269 WeakPolarHBondContact O-CB 3.48Å; E265-Q269 PolarHBondContact O-N 3.26Å; A267-Q269 VanDerWaalsContact C-N 3.34Å; A267-Q269 PolarHBondContact O-N 3.48Å; Q269-V271 PolarHBondContact O-N 3.09Å; Q269-L272 PolarHBondContact O-N 2.97Å; Q269-L272 VanDerWaalsContact O-N 3.16Å; Q269-E273 HydrophobicContact CG-CG 4.29Å; Q269-E273 WeakPolarHBondContact CG-OE1 3.27Å; Q269-E273 PolarHBondContact NE2-OE1 3.4Å; Q269-E273 WeakPolarHBondContact O-CB 3.45Å; Q269-E273 WeakPolarHBondContact O-CG 3.39Å; Q269-E273 PolarHBondContact O-N 2.98Å
270	N	98.5	Very high	97.8	Very high	11 Å²	11	39.7 Å²	39.7	6%	0.059	20%	0.195	C	C	.	.	H	α-helix	trans	-59.9	-34.2	-178.5	-72.2	-15.9	0	0	0	112	F168 F249 C250 R266 A267 N274 Y275	F168-N270 HydrophobicContact CD1-CB 4.12Å; F168-N270 WeakPolarHBondContact CD1-ND2 3.21Å; F168-N270 HydrophobicContact CE1-CB 4.12Å; F249-N270 WeakPolarHBondContact O-CB 3.29Å; F249-N270 PolarHBondContact O-ND2 3.16Å; C250-N270 PolarHBondContact O-ND2 3.08Å; R266-N270 WeakPolarHBondContact O-CB 3.08Å; R266-N270 PolarHBondContact O-N 2.77Å; R266-N270 PolarHBondContact O-ND2 3.05Å; A267-N270 PolarHBondContact O-N 2.87Å; N270-N274 WeakPolarHBondContact O-CB 3.34Å; N270-N274 PolarHBondContact O-N 3.06Å; N270-N274 PolarHBondContact O-ND2 3.34Å; N270-Y275 WeakPolarHBondContact O-CD2 3.35Å
271	V	98.4	Very high	97.9	Very high	12 Å²	12	40.5 Å²	40.5	7%	0.073	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-54	174.1	168.9	0	0	0	0	111.2	F249 A267 K268 Q269 E273 Y275 V278 F344 F347 I348	F249-V271 HydrophobicContact CB-CG2 4.28Å; F249-V271 HydrophobicContact CD1-CG2 3.51Å; F249-V271 HydrophobicContact CE1-CG2 4.16Å; F249-V271 HydrophobicContact CG-CG2 4.15Å; A267-V271 VanDerWaalsContact O-CG2 3.29Å; A267-V271 WeakPolarHBondContact O-CG2 3.41Å; A267-V271 PolarHBondContact O-N 2.87Å; A267-V271 VanDerWaalsContact O-N 3.07Å; K268-V271 WeakPolarHBondContact O-CB 3.29Å; K268-V271 PolarHBondContact O-N 3.18Å; Q269-V271 PolarHBondContact O-N 3.09Å; V271-E273 VanDerWaalsContact C-N 3.27Å; V271-E273 PolarHBondContact O-N 3.3Å; V271-Y275 HydrophobicContact CG2-CD2 4.33Å; V271-Y275 WeakPolarHBondContact O-CB 3.47Å; V271-Y275 PolarHBondContact O-N 3.31Å; V271-Y275 VanDerWaalsContact O-N 3.07Å; V271-V278 HydrophobicContact CG1-CG2 3.95Å; V271-V278 HydrophobicContact CG2-CG2 4.32Å; V271-F344 HydrophobicContact CG2-CE2 4.19Å; V271-F344 HydrophobicContact CG2-CZ 3.95Å; V271-F347 HydrophobicContact CB-CE1 4.5Å; V271-F347 HydrophobicContact CG1-CE1 4.33Å; V271-I348 HydrophobicContact CB-CD1 4.31Å; V271-I348 HydrophobicContact CG1-CD1 3.69Å; V271-I348 HydrophobicContact CG2-CD1 3.92Å
272	L	97.6	Very high	97.8	Very high	110 Å²	110	38.5 Å²	38.5	58%	0.576	18%	0.179	S	C	*	.	H	α-helix	trans	-61.9	-34.6	-178.5	-65.5	172.9	0	0	0	112.8	K268 Q269 F347	K268-L272 WeakPolarHBondContact O-CG 3.49Å; K268-L272 PolarHBondContact O-N 2.88Å; K268-L272 VanDerWaalsContact O-N 3.16Å; Q269-L272 PolarHBondContact O-N 2.97Å; Q269-L272 VanDerWaalsContact O-N 3.16Å; L272-F347 HydrophobicContact CD1-CZ 4.13Å; L272-F347 HydrophobicContact CD2-CZ 4.02Å; L272-F347 HydrophobicContact CG-CZ 3.97Å
273	E	96.2	Very high	97.7	Very high	115 Å²	115	34.5 Å²	34.5	54%	0.537	17%	0.165	S	C	.	.	H	α-helix	trans	-85.6	-31.9	-176.4	-72.1	175	179.8	0	0	114.5	Q269 V271	Q269-E273 HydrophobicContact CG-CG 4.29Å; Q269-E273 WeakPolarHBondContact CG-OE1 3.27Å; Q269-E273 PolarHBondContact NE2-OE1 3.4Å; Q269-E273 WeakPolarHBondContact O-CB 3.45Å; Q269-E273 WeakPolarHBondContact O-CG 3.39Å; Q269-E273 PolarHBondContact O-N 2.98Å; V271-E273 VanDerWaalsContact C-N 3.27Å; V271-E273 PolarHBondContact O-N 3.3Å
274	N	96.5	Very high	97.5	Very high	21 Å²	21	35 Å²	35	11%	0.112	17%	0.168	C	C	.	.	H	α-helix	trans	-128.2	-14.2	-164.5	-53.3	-97.2	0	0	0	115	F168 Y181 N270	F168-N274 HydrophobicContact CE2-CB 3.7Å; F168-N274 HydrophobicContact CZ-CB 3.81Å; F168-N274 VanDerWaalsContact CZ-CG 3.45Å; Y181-N274 PolarHBondContact N-O 2.75Å; Y181-N274 VanDerWaalsContact N-O 3.14Å; N270-N274 WeakPolarHBondContact O-CB 3.34Å; N270-N274 PolarHBondContact O-N 3.06Å; N270-N274 PolarHBondContact O-ND2 3.34Å
275	Y	98.2	Very high	97.3	Very high	21 Å²	21	37.6 Å²	37.6	8%	0.082	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122.1	-177.5	-72.8	-107	0	0	0	111.1	N105 F168 Y181 N183 F249 N270 V271 L277 V278	N105-Y275 PolarHBondContact ND2-OH 3.41Å; N105-Y275 WeakPolarHBondContact OD1-CE1 3.13Å; N105-Y275 PolarHBondContact OD1-OH 3.23Å; F168-Y275 AromaticContact CD2-CE2 3.77Å; F168-Y275 HydrophobicContact CD2-CE2 3.77Å; F168-Y275 HydrophobicContact CE2-CE2 4.26Å; F168-Y275 HydrophobicContact CG-CE2 4.38Å; Y181-Y275 VanDerWaalsContact CB-CD1 3.47Å; Y181-Y275 AromaticContact CD1-CE1 3.88Å; Y181-Y275 HydrophobicContact CD1-CE1 3.88Å; Y181-Y275 HydrophobicContact CD1-CE2 4.33Å; Y181-Y275 AromaticContact CD1-CZ 3.68Å; Y181-Y275 HydrophobicContact CG-CE1 4.15Å; Y181-Y275 HydrophobicContact CG-CE2 4.37Å; Y181-Y275 CarbonylContact O-C 3.59Å; Y181-Y275 VanDerWaalsContact O-CA 3.32Å; Y181-Y275 WeakPolarHBondContact O-CA 3.34Å; N183-Y275 HydrophobicContact CB-CD1 4.29Å; N183-Y275 HydrophobicContact CB-CE1 3.96Å; F249-Y275 HydrophobicContact CD1-CD1 4.4Å; F249-Y275 HydrophobicContact CD1-CD2 4.5Å; F249-Y275 AromaticContact CD1-CE1 3.83Å; F249-Y275 HydrophobicContact CD1-CE1 3.83Å; F249-Y275 AromaticContact CD1-CE2 3.92Å; F249-Y275 HydrophobicContact CD1-CE2 3.92Å; F249-Y275 AromaticContact CD1-CZ 3.56Å; F249-Y275 HydrophobicContact CE1-CD1 4.05Å; F249-Y275 AromaticContact CE1-CE1 3.58Å; F249-Y275 HydrophobicContact CE1-CE1 3.58Å; F249-Y275 HydrophobicContact CE1-CE2 4.48Å; F249-Y275 AromaticContact CE1-CZ 3.83Å; N270-Y275 WeakPolarHBondContact O-CD2 3.35Å; V271-Y275 HydrophobicContact CG2-CD2 4.33Å; V271-Y275 WeakPolarHBondContact O-CB 3.47Å; V271-Y275 PolarHBondContact O-N 3.31Å; V271-Y275 VanDerWaalsContact O-N 3.07Å; Y275-L277 VanDerWaalsContact C-N 3.34Å; Y275-V278 HydrophobicContact CD1-CG2 3.62Å; Y275-V278 HydrophobicContact CE1-CG2 4.48Å; Y275-V278 HydrophobicContact CG-CG2 3.85Å
276	L	97.1	Very high	97.1	Very high	46 Å²	46	34.6 Å²	34.6	24%	0.241	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	-36.4	173.7	175.9	63.2	0	0	0	111.8	V180 Y181 I182 L294 L295	V180-L276 HydrophobicContact CB-CB 4.23Å; V180-L276 HydrophobicContact CG2-CD2 4.27Å; Y181-L276 PolarHBondContact O-N 2.97Å; I182-L276 HydrophobicContact CG2-CB 4.33Å; L276-L294 HydrophobicContact CD2-CB 4.32Å; L276-L294 HydrophobicContact CG-CD1 4.47Å; L276-L295 HydrophobicContact CD2-CD1 3.86Å; L276-L295 HydrophobicContact CD2-CD2 3.83Å; L276-L295 HydrophobicContact CD2-CG 3.69Å
277	L	97.6	Very high	97.1	Very high	7 Å²	7	30.8 Å²	30.8	4%	0.037	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	132.6	175.6	-170.9	72.7	0	0	0	110.5	I182 N183 Y275 V287 M290 L291 L294 F352 M355	I182-L277 VanDerWaalsContact CA-O 3.31Å; I182-L277 WeakPolarHBondContact CA-O 3.33Å; N183-L277 PolarHBondContact N-O 3.37Å; Y275-L277 VanDerWaalsContact C-N 3.34Å; L277-V287 HydrophobicContact CD2-CG1 4.2Å; L277-M290 HydrophobicContact CD1-CB 4.42Å; L277-M290 HydrophobicContact CD1-CE 4.01Å; L277-M290 HydrophobicContact CD2-CB 3.83Å; L277-L291 HydrophobicContact CB-CD2 4.41Å; L277-L291 HydrophobicContact CD2-CD2 3.75Å; L277-L291 HydrophobicContact CD2-CG 3.74Å; L277-L294 HydrophobicContact CB-CD1 4.23Å; L277-L294 HydrophobicContact CD1-CD1 4.18Å; L277-L294 HydrophobicContact CD2-CD1 4.44Å; L277-F352 HydrophobicContact CD1-CD2 3.97Å; L277-F352 HydrophobicContact CD1-CE2 4.27Å; L277-M355 HydrophobicContact CD1-SD 3.56Å; L277-M355 VanDerWaalsContact CD1-SD 3.56Å
278	V	98.6	Very high	97	Very high	12 Å²	12	30.8 Å²	30.8	7%	0.073	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	116	161.1	-170.9	0	0	0	0	107.8	N183 I185 F249 V271 Y275 I348	N183-V278 HydrophobicContact CB-CG1 4.28Å; N183-V278 WeakPolarHBondContact O-CA 3.29Å; I185-V278 HydrophobicContact CG2-CG1 4.11Å; F249-V278 HydrophobicContact CE1-CG1 3.94Å; F249-V278 HydrophobicContact CE1-CG2 3.83Å; F249-V278 HydrophobicContact CZ-CG1 3.88Å; V271-V278 HydrophobicContact CG1-CG2 3.95Å; V271-V278 HydrophobicContact CG2-CG2 4.32Å; Y275-V278 HydrophobicContact CD1-CG2 3.62Å; Y275-V278 HydrophobicContact CE1-CG2 4.48Å; Y275-V278 HydrophobicContact CG-CG2 3.85Å; V278-I348 HydrophobicContact CB-CD1 4.06Å; V278-I348 HydrophobicContact CB-CG2 3.96Å; V278-I348 HydrophobicContact CG1-CD1 4.05Å; V278-I348 HydrophobicContact CG1-CG1 4.39Å; V278-I348 HydrophobicContact CG1-CG2 3.55Å; V278-I348 HydrophobicContact CG2-CD1 4.38Å
279	G	97.5	Very high	96.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	167.9	178.8	0	0	0	0	0	113.2	N183 I184 I185	N183-G279 PolarHBondContact O-N 3.43Å; I184-G279 CarbonylContact C-O 3.48Å; I184-G279 WeakPolarHBondContact CA-O 3.38Å; I185-G279 PolarHBondContact N-O 2.58Å
280	I	97.4	Very high	96.7	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.015	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	141.2	169.7	62	169.5	0	0	0	110.6	I185 E282 E283 V287 Y345 I348 R349 F352	I185-I280 HydrophobicContact CG1-CG2 4.07Å; I280-E282 HydrophobicContact CD1-CB 4.37Å; I280-E282 PolarHBondContact O-N 3.15Å; I280-E283 HydrophobicContact CD1-CB 4.46Å; I280-E283 HydrophobicContact CD1-CG 4.24Å; I280-E283 HydrophobicContact CG1-CB 4.09Å; I280-E283 HydrophobicContact CG1-CG 4.42Å; I280-E283 CarbonylContact O-C 3.34Å; I280-E283 PolarHBondContact O-N 3.37Å; I280-V287 WeakPolarHBondContact O-CG2 3.16Å; I280-Y345 HydrophobicContact CB-CE2 4.17Å; I280-Y345 HydrophobicContact CG2-CD2 4.38Å; I280-Y345 HydrophobicContact CG2-CE2 3.7Å; I280-I348 HydrophobicContact CG2-CG2 4.32Å; I280-R349 HydrophobicContact CD1-CB 4.47Å; I280-R349 HydrophobicContact CD1-CG 4.06Å; I280-R349 HydrophobicContact CG2-CB 4.36Å; I280-F352 HydrophobicContact CG1-CD1 4.38Å
281	L	96.3	Very high	96.6	Very high	35 Å²	35	27.6 Å²	27.6	18%	0.183	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-66.8	-28.8	-174.8	-175.2	66.8	0	0	0	112.6	I184 I185 R186 E283 L284	I184-L281 HydrophobicContact CG2-CB 4.26Å; I184-L281 HydrophobicContact CG2-CD1 4.41Å; I185-L281 WeakPolarHBondContact O-CB 3.42Å; I185-L281 PolarHBondContact O-N 3.01Å; R186-L281 HydrophobicContact CB-CB 4.12Å; R186-L281 HydrophobicContact CB-CD2 4.33Å; R186-L281 HydrophobicContact CG-CB 4.12Å; R186-L281 HydrophobicContact CG-CD2 3.93Å; L281-E283 PolarHBondContact O-N 2.97Å; L281-L284 HydrophobicContact CD1-CB 4.45Å; L281-L284 HydrophobicContact CD1-CD2 4.09Å; L281-L284 WeakPolarHBondContact O-CB 3.39Å; L281-L284 PolarHBondContact O-N 2.9Å
282	E	94.9	Very high	96.4	Very high	45 Å²	45	29 Å²	29	21%	0.21	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-60.5	-29.1	178.4	-65.4	68.1	-154.4	0	0	111.8	R186 D187 I280 Y345 R366 V369	R186-E282 WeakPolarHBondContact CG-OE1 3.44Å; D187-E282 PolarHBondContact N-OE1 3.03Å; I280-E282 HydrophobicContact CD1-CB 4.37Å; I280-E282 PolarHBondContact O-N 3.15Å; E282-Y345 PolarHBondContact OE2-OH 2.84Å; E282-R366 PolarHBondContact O-NH1 2.86Å; E282-V369 HydrophobicContact CG-CG2 3.96Å
283	E	95.6	Very high	96.2	Very high	20 Å²	20	30.4 Å²	30.4	9%	0.093	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-114.6	32.5	176.5	-69.5	-179.9	-135.2	0	0	112.6	I280 L281 E285 D286 V287 F352 H353 K356	I280-E283 HydrophobicContact CD1-CB 4.46Å; I280-E283 HydrophobicContact CD1-CG 4.24Å; I280-E283 HydrophobicContact CG1-CB 4.09Å; I280-E283 HydrophobicContact CG1-CG 4.42Å; I280-E283 CarbonylContact O-C 3.34Å; I280-E283 PolarHBondContact O-N 3.37Å; L281-E283 PolarHBondContact O-N 2.97Å; E283-E285 PolarHBondContact O-N 3.21Å; E283-D286 HydrophobicContact CB-CB 4.43Å; E283-D286 PolarHBondContact O-N 3.16Å; E283-V287 PolarHBondContact O-N 3.17Å; E283-V287 VanDerWaalsContact O-N 3.08Å; E283-F352 HydrophobicContact CB-CE1 4.14Å; E283-H353 IonicContact OE1-CD2 3.39Å; E283-H353 IonicContact OE1-CE1 3.71Å; E283-H353 PolarHBondContact OE1-CE1 2.87Å; E283-H353 IonicContact OE1-NE2 2.69Å; E283-H353 PolarHBondContact OE1-NE2 3.05Å; E283-H353 IonicContact OE2-CD2 3.83Å; E283-H353 IonicContact OE2-NE2 3.27Å; E283-H353 PolarHBondContact OE2-NE2 3.29Å; E283-K356 IonicContact OE2-NZ 2.69Å; E283-K356 PolarHBondContact OE2-NZ 3.33Å
284	L	95	Very high	96.1	Very high	13 Å²	13	26.2 Å²	26.2	7%	0.068	12%	0.123	C	C	.	.	H	α-helix	trans	-50.4	-35.9	-174.1	-178.9	61.5	0	0	0	114.5	V115 I184 L281 D286 V287 L288 Y306	V115-L284 HydrophobicContact CG2-CD1 4.42Å; I184-L284 HydrophobicContact CD1-CD1 3.77Å; L281-L284 HydrophobicContact CD1-CB 4.45Å; L281-L284 HydrophobicContact CD1-CD2 4.09Å; L281-L284 WeakPolarHBondContact O-CB 3.39Å; L281-L284 PolarHBondContact O-N 2.9Å; L284-D286 PolarHBondContact O-N 3.28Å; L284-V287 PolarHBondContact O-N 3.09Å; L284-L288 HydrophobicContact CD1-CD1 4.41Å; L284-L288 HydrophobicContact CD1-CD2 4.41Å; L284-L288 HydrophobicContact CD1-CG 4.11Å; L284-L288 HydrophobicContact CG-CD1 4.14Å; L284-L288 HydrophobicContact CG-CG 4.3Å; L284-L288 VanDerWaalsContact O-CG 3.24Å; L284-L288 WeakPolarHBondContact O-CG 3.3Å; L284-L288 PolarHBondContact O-N 2.91Å; L284-Y306 HydrophobicContact CD2-CE2 3.68Å; L284-Y306 HydrophobicContact CG-CE2 4.28Å
285	E	94.7	Very high	96.1	Very high	54 Å²	54	25.2 Å²	25.2	25%	0.252	12%	0.117	S	C	.	.	H	α-helix	trans	-60.8	-43.8	175.8	-73.7	176.9	-97.5	0	0	112.6	E283 V287 L288 L289 Y306 K307 R366	E283-E285 PolarHBondContact O-N 3.21Å; E285-V287 VanDerWaalsContact C-N 3.35Å; E285-L288 PolarHBondContact O-N 3.48Å; E285-L289 PolarHBondContact O-N 3.06Å; E285-Y306 HydrophobicContact CG-CD1 4.04Å; E285-Y306 HydrophobicContact CG-CE1 3.48Å; E285-Y306 VanDerWaalsContact CG-CE1 3.48Å; E285-K307 WeakPolarHBondContact OE2-CE 3.41Å; E285-K307 IonicContact OE2-NZ 3.54Å; E285-R366 IonicContact OE1-CZ 2.63Å; E285-R366 IonicContact OE1-NH2 2.71Å; E285-R366 PolarHBondContact OE1-NH2 3.22Å
286	D	95.3	Very high	96	Very high	23 Å²	23	26.1 Å²	26.1	12%	0.123	13%	0.126	C	C	.	.	H	α-helix	trans	-70.9	-33.7	177.5	-68.4	-48.2	0	0	0	111.3	E283 L284 L289 M290 F352 K356	E283-D286 HydrophobicContact CB-CB 4.43Å; E283-D286 PolarHBondContact O-N 3.16Å; L284-D286 PolarHBondContact O-N 3.28Å; D286-L289 PolarHBondContact O-N 3.39Å; D286-M290 WeakPolarHBondContact O-CB 3.31Å; D286-M290 WeakPolarHBondContact O-CG 3.32Å; D286-M290 PolarHBondContact O-N 2.94Å; D286-F352 HydrophobicContact CB-CE1 4.45Å; D286-F352 HydrophobicContact CB-CZ 4.02Å; D286-K356 VanDerWaalsContact CG-CE 3.41Å; D286-K356 IonicContact OD1-NZ 2.69Å; D286-K356 WeakPolarHBondContact OD2-CE 3.32Å; D286-K356 IonicContact OD2-NZ 3.79Å; D286-K356 PolarHBondContact OD2-NZ 3.11Å
287	V	96.9	Very high	95.8	Very high	1 Å²	1	26 Å²	26	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-62.9	-43.9	172.9	179	0	0	0	0	111	I184 L277 I280 E283 L284 E285 M290 L291 F352	I184-V287 HydrophobicContact CD1-CG1 3.81Å; I184-V287 HydrophobicContact CG1-CG1 4.01Å; L277-V287 HydrophobicContact CD2-CG1 4.2Å; I280-V287 WeakPolarHBondContact O-CG2 3.16Å; E283-V287 PolarHBondContact O-N 3.17Å; E283-V287 VanDerWaalsContact O-N 3.08Å; L284-V287 PolarHBondContact O-N 3.09Å; E285-V287 VanDerWaalsContact C-N 3.35Å; V287-M290 PolarHBondContact O-N 3.16Å; V287-L291 HydrophobicContact CG1-CD1 4.24Å; V287-L291 WeakPolarHBondContact O-CG 3.3Å; V287-L291 PolarHBondContact O-N 3.44Å; V287-F352 HydrophobicContact CB-CE2 4.44Å; V287-F352 HydrophobicContact CB-CZ 4.35Å; V287-F352 HydrophobicContact CG2-CE1 4.13Å; V287-F352 HydrophobicContact CG2-CE2 3.81Å; V287-F352 HydrophobicContact CG2-CZ 3.55Å
288	L	96.7	Very high	95.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-66.2	-40.5	177.1	-67	174.2	0	0	0	111.7	L118 L284 E285 L291 E292 V302 L303 Y306	L118-L288 HydrophobicContact CD2-CD1 3.71Å; L118-L288 HydrophobicContact CD2-CD2 3.62Å; L118-L288 HydrophobicContact CD2-CG 4.33Å; L284-L288 HydrophobicContact CD1-CD1 4.41Å; L284-L288 HydrophobicContact CD1-CD2 4.41Å; L284-L288 HydrophobicContact CD1-CG 4.11Å; L284-L288 HydrophobicContact CG-CD1 4.14Å; L284-L288 HydrophobicContact CG-CG 4.3Å; L284-L288 VanDerWaalsContact O-CG 3.24Å; L284-L288 WeakPolarHBondContact O-CG 3.3Å; L284-L288 PolarHBondContact O-N 2.91Å; E285-L288 PolarHBondContact O-N 3.48Å; L288-L291 PolarHBondContact O-N 2.96Å; L288-E292 PolarHBondContact O-N 3.28Å; L288-V302 HydrophobicContact CB-CG1 4.04Å; L288-V302 HydrophobicContact CB-CG2 4.22Å; L288-V302 HydrophobicContact CD1-CG2 4.33Å; L288-V302 HydrophobicContact CD2-CG2 3.87Å; L288-V302 HydrophobicContact CG-CG2 4.35Å; L288-V302 WeakPolarHBondContact O-CG1 3.33Å; L288-L303 HydrophobicContact CB-CD2 4.06Å; L288-Y306 HydrophobicContact CD1-CD1 4.27Å; L288-Y306 HydrophobicContact CD1-CD2 3.49Å; L288-Y306 VanDerWaalsContact CD1-CD2 3.49Å; L288-Y306 HydrophobicContact CD1-CE2 4.08Å; L288-Y306 HydrophobicContact CD1-CG 3.62Å
289	L	95.3	Very high	95.7	Very high	36 Å²	36	25.2 Å²	25.2	19%	0.188	12%	0.119	C	C	.	.	H	α-helix	trans	-62.3	-41.2	173.9	-177.5	55.1	0	0	0	112.2	E285 D286 E292 R293 L303 L361	E285-L289 PolarHBondContact O-N 3.06Å; D286-L289 PolarHBondContact O-N 3.39Å; L289-E292 PolarHBondContact O-N 2.94Å; L289-R293 WeakPolarHBondContact O-CG 3.47Å; L289-R293 PolarHBondContact O-N 2.87Å; L289-R293 VanDerWaalsContact O-N 3.15Å; L289-L303 HydrophobicContact CB-CD1 4.17Å; L289-L303 HydrophobicContact CD1-CD1 4.04Å; L289-L361 HydrophobicContact CD2-CD1 3.96Å; L289-L361 HydrophobicContact CD2-CD2 3.83Å; L289-L361 HydrophobicContact CG-CD1 4.01Å; L289-L361 HydrophobicContact CG-CD2 4.37Å
290	M	95.4	Very high	95.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.6	-43.7	174.8	-74.4	-76.4	-72.9	0	0	111.6	L277 D286 V287 E292 R293 L294 F352 M355 I359 L361	L277-M290 HydrophobicContact CD1-CB 4.42Å; L277-M290 HydrophobicContact CD1-CE 4.01Å; L277-M290 HydrophobicContact CD2-CB 3.83Å; D286-M290 WeakPolarHBondContact O-CB 3.31Å; D286-M290 WeakPolarHBondContact O-CG 3.32Å; D286-M290 PolarHBondContact O-N 2.94Å; V287-M290 PolarHBondContact O-N 3.16Å; M290-E292 VanDerWaalsContact C-N 3.32Å; M290-E292 PolarHBondContact O-N 2.96Å; M290-R293 PolarHBondContact O-N 2.76Å; M290-R293 VanDerWaalsContact O-N 3.15Å; M290-L294 WeakPolarHBondContact O-CB 3.38Å; M290-L294 VanDerWaalsContact O-CG 3.29Å; M290-L294 WeakPolarHBondContact O-CG 3.47Å; M290-L294 PolarHBondContact O-N 3.03Å; M290-F352 HydrophobicContact CB-CE2 4.42Å; M290-F352 HydrophobicContact CG-CE2 3.97Å; M290-F352 HydrophobicContact CG-CZ 4.45Å; M290-M355 HydrophobicContact CE-CB 3.76Å; M290-M355 HydrophobicContact CE-CG 3.58Å; M290-M355 HydrophobicContact CE-SD 3.54Å; M290-M355 VanDerWaalsContact CE-SD 3.54Å; M290-I359 HydrophobicContact CE-CD1 3.88Å; M290-I359 HydrophobicContact SD-CB 4.48Å; M290-I359 HydrophobicContact SD-CD1 4.01Å; M290-L361 HydrophobicContact CG-CD1 3.92Å; M290-L361 HydrophobicContact SD-CD1 3.6Å; M290-L361 VanDerWaalsContact SD-CD1 3.6Å
291	L	96.8	Very high	95.5	Very high	6 Å²	6	27.8 Å²	27.8	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-62.6	-36.5	174.7	-71.8	170.1	0	0	0	112.3	I182 L277 V287 L288 R293 L294 L295 F299	I182-L291 HydrophobicContact CB-CD2 4.43Å; I182-L291 HydrophobicContact CD1-CD2 4.11Å; I182-L291 HydrophobicContact CG2-CD2 4.01Å; L277-L291 HydrophobicContact CB-CD2 4.41Å; L277-L291 HydrophobicContact CD2-CD2 3.75Å; L277-L291 HydrophobicContact CD2-CG 3.74Å; V287-L291 HydrophobicContact CG1-CD1 4.24Å; V287-L291 WeakPolarHBondContact O-CG 3.3Å; V287-L291 PolarHBondContact O-N 3.44Å; L288-L291 PolarHBondContact O-N 2.96Å; L291-R293 VanDerWaalsContact C-N 3.32Å; L291-R293 PolarHBondContact O-N 3.3Å; L291-L294 PolarHBondContact O-N 3.47Å; L291-L295 CarbonylContact O-C 3.32Å; L291-L295 WeakPolarHBondContact O-CA 3.38Å; L291-L295 WeakPolarHBondContact O-CB 3.38Å; L291-L295 PolarHBondContact O-N 3.13Å; L291-F299 HydrophobicContact CB-CB 4.33Å; L291-F299 HydrophobicContact CB-CD1 4Å; L291-F299 HydrophobicContact CB-CD2 3.86Å; L291-F299 HydrophobicContact CB-CE1 4.25Å; L291-F299 HydrophobicContact CB-CE2 4.13Å; L291-F299 HydrophobicContact CB-CG 3.81Å; L291-F299 HydrophobicContact CB-CZ 4.31Å; L291-F299 HydrophobicContact CD1-CD1 4.41Å; L291-F299 HydrophobicContact CD1-CE1 3.91Å; L291-F299 HydrophobicContact CD1-CZ 3.97Å; L291-F299 HydrophobicContact CD2-CE2 4.23Å; L291-F299 HydrophobicContact CD2-CZ 4.39Å; L291-F299 HydrophobicContact CG-CZ 4.46Å
292	E	95.3	Very high	95.5	Very high	40 Å²	40	26.1 Å²	26.1	19%	0.187	13%	0.13	C	C	.	.	H	α-helix	trans	-62.7	-35.8	172.9	178.5	162.9	-157.1	0	0	112.9	L288 L289 M290 P296 F299 S300 G301 V302	L288-E292 PolarHBondContact O-N 3.28Å; L289-E292 PolarHBondContact O-N 2.94Å; M290-E292 VanDerWaalsContact C-N 3.32Å; M290-E292 PolarHBondContact O-N 2.96Å; E292-P296 VanDerWaalsContact O-CA 3.22Å; E292-P296 WeakPolarHBondContact O-CA 3.5Å; E292-P296 WeakPolarHBondContact O-CB 3.45Å; E292-F299 HydrophobicContact CB-CB 4.28Å; E292-S300 WeakPolarHBondContact OE1-CA 3.36Å; E292-G301 PolarHBondContact OE1-N 3.18Å; E292-V302 HydrophobicContact CB-CG1 3.98Å
293	R	93.1	Very high	95.5	Very high	140 Å²	140	25.4 Å²	25.4	53%	0.528	13%	0.127	S	C	.	.	H	α-helix	trans	-77.9	-36	176.2	-61.9	-55.8	-179	86.9	-1.4	113.6	L289 M290 L291	L289-R293 WeakPolarHBondContact O-CG 3.47Å; L289-R293 PolarHBondContact O-N 2.87Å; L289-R293 VanDerWaalsContact O-N 3.15Å; M290-R293 PolarHBondContact O-N 2.76Å; M290-R293 VanDerWaalsContact O-N 3.15Å; L291-R293 VanDerWaalsContact C-N 3.32Å; L291-R293 PolarHBondContact O-N 3.3Å
294	L	94.6	Very high	95.5	Very high	28 Å²	28	30 Å²	30	15%	0.147	15%	0.153	C	C	.	.	H	α-helix	trans	-86.4	-26.8	-176.2	-64.5	170.8	0	0	0	113.4	F98 L276 L277 M290 L291 M355 I359	F98-L294 VanDerWaalsContact CD1-O 3.25Å; F98-L294 WeakPolarHBondContact CD1-O 3.25Å; L276-L294 HydrophobicContact CD2-CB 4.32Å; L276-L294 HydrophobicContact CG-CD1 4.47Å; L277-L294 HydrophobicContact CB-CD1 4.23Å; L277-L294 HydrophobicContact CD1-CD1 4.18Å; L277-L294 HydrophobicContact CD2-CD1 4.44Å; M290-L294 WeakPolarHBondContact O-CB 3.38Å; M290-L294 VanDerWaalsContact O-CG 3.29Å; M290-L294 WeakPolarHBondContact O-CG 3.47Å; M290-L294 PolarHBondContact O-N 3.03Å; L291-L294 PolarHBondContact O-N 3.47Å; L294-M355 HydrophobicContact CD1-CE 3.67Å; L294-M355 HydrophobicContact CD1-SD 4.08Å; L294-M355 HydrophobicContact CD2-CE 3.87Å; L294-M355 HydrophobicContact CG-CE 4.44Å; L294-I359 HydrophobicContact CD2-CD1 4.12Å
295	L	96.2	Very high	95.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.			trans	-140.7	56.9	-175.3	-70.4	176.9	0	0	0	110.9	P99 V102 I182 L276 L291 H297 Y298 F299	P99-L295 HydrophobicContact CB-CD2 4.37Å; P99-L295 HydrophobicContact CG-CD2 4.45Å; V102-L295 HydrophobicContact CG1-CD1 4.21Å; V102-L295 HydrophobicContact CG2-CD1 3.91Å; V102-L295 HydrophobicContact CG2-CD2 4.2Å; I182-L295 HydrophobicContact CG2-CD1 4.28Å; L276-L295 HydrophobicContact CD2-CD1 3.86Å; L276-L295 HydrophobicContact CD2-CD2 3.83Å; L276-L295 HydrophobicContact CD2-CG 3.69Å; L291-L295 CarbonylContact O-C 3.32Å; L291-L295 WeakPolarHBondContact O-CA 3.38Å; L291-L295 WeakPolarHBondContact O-CB 3.38Å; L291-L295 PolarHBondContact O-N 3.13Å; L295-H297 VanDerWaalsContact C-N 3.25Å; L295-H297 PolarHBondContact O-N 3.17Å; L295-H297 VanDerWaalsContact O-N 3.14Å; L295-Y298 HydrophobicContact CB-CD2 4.09Å; L295-Y298 HydrophobicContact CD2-CD2 4.24Å; L295-Y298 HydrophobicContact CD2-CE2 4.39Å; L295-Y298 PolarHBondContact O-N 3.16Å; L295-F299 HydrophobicContact CB-CD2 3.73Å; L295-F299 HydrophobicContact CB-CE2 4.12Å; L295-F299 HydrophobicContact CD1-CD2 4.42Å; L295-F299 HydrophobicContact CD1-CE2 3.96Å; L295-F299 PolarHBondContact O-N 3.42Å
296	P	94.9	Very high	95.5	Very high	39 Å²	39	30.9 Å²	30.9	25%	0.253	16%	0.155	S	C	.	.	H	α-helix	trans	-59.2	-32.9	-170.9	21.4	-33.3	0	0	0	113.9	F98 E292 Y298 F299 S300	F98-P296 HydrophobicContact CD1-CG 4.41Å; F98-P296 HydrophobicContact CD2-CG 3.65Å; F98-P296 HydrophobicContact CE1-CG 4.16Å; F98-P296 HydrophobicContact CE2-CG 3.38Å; F98-P296 HydrophobicContact CG-CG 4.18Å; F98-P296 HydrophobicContact CZ-CG 3.66Å; E292-P296 VanDerWaalsContact O-CA 3.22Å; E292-P296 WeakPolarHBondContact O-CA 3.5Å; E292-P296 WeakPolarHBondContact O-CB 3.45Å; P296-Y298 PolarHBondContact O-N 3.2Å; P296-F299 PolarHBondContact O-N 2.99Å; P296-S300 WeakPolarHBondContact O-CB 3.15Å; P296-S300 PolarHBondContact O-N 2.93Å
297	H	93.9	Very high	95.4	Very high	44 Å²	44	35 Å²	35	20%	0.204	17%	0.172	C	C	.	.	H	α-helix	trans	-71.3	-11.9	178.2	67.4	-81.3	0	0	0	114.3	P99 H126 L295	P99-H297 PolarHBondContact O-CE1 3.13Å; P99-H297 VanDerWaalsContact O-CE1 3.26Å; P99-H297 PolarHBondContact O-NE2 2.77Å; H126-H297 WeakPolarHBondContact CB-O 3.34Å; L295-H297 VanDerWaalsContact C-N 3.25Å; L295-H297 PolarHBondContact O-N 3.17Å; L295-H297 VanDerWaalsContact O-N 3.14Å
298	Y	96.5	Very high	95.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-102.3	-34.6	167.6	-67	-85.4	0	0	0	112.6	P99 S100 V102 L122 H126 F128 P159 F160 L161 L295 P296	P99-Y298 WeakPolarHBondContact O-CE2 3.4Å; S100-Y298 PolarHBondContact O-OH 3.19Å; V102-Y298 HydrophobicContact CG2-CD2 4.16Å; V102-Y298 HydrophobicContact CG2-CE2 3.48Å; V102-Y298 VanDerWaalsContact CG2-CE2 3.48Å; L122-Y298 WeakPolarHBondContact CB-O 3.48Å; H126-Y298 PolarHBondContact CD2-O 2.84Å; F128-Y298 HydrophobicContact CB-CD1 4.12Å; F128-Y298 HydrophobicContact CB-CE1 3.96Å; F128-Y298 AromaticContact CD1-CD1 3.57Å; F128-Y298 HydrophobicContact CD1-CD1 3.57Å; F128-Y298 HydrophobicContact CD1-CE1 4.27Å; F128-Y298 HydrophobicContact CD1-CG 4.36Å; F128-Y298 AromaticContact CD2-CD1 3.6Å; F128-Y298 HydrophobicContact CD2-CD1 3.6Å; F128-Y298 AromaticContact CD2-CE1 3.71Å; F128-Y298 HydrophobicContact CD2-CE1 3.71Å; F128-Y298 AromaticContact CE1-CD1 3.77Å; F128-Y298 HydrophobicContact CE1-CD1 3.77Å; F128-Y298 HydrophobicContact CE1-CG 4.44Å; F128-Y298 AromaticContact CE2-CD1 3.8Å; F128-Y298 HydrophobicContact CE2-CD1 3.8Å; F128-Y298 HydrophobicContact CE2-CE1 4.25Å; F128-Y298 AromaticContact CG-CD1 3.49Å; F128-Y298 HydrophobicContact CG-CD1 3.49Å; F128-Y298 VanDerWaalsContact CG-CD1 3.49Å; F128-Y298 AromaticContact CG-CE1 3.73Å; F128-Y298 HydrophobicContact CG-CE1 3.73Å; F128-Y298 AromaticContact CZ-CD1 3.9Å; F128-Y298 HydrophobicContact CZ-CD1 3.9Å; P159-Y298 HydrophobicContact CB-CE1 4.44Å; F160-Y298 PolarHBondContact N-OH 3.26Å; F160-Y298 PolarHBondContact O-OH 3.43Å; L161-Y298 HydrophobicContact CB-CD1 4.21Å; L161-Y298 HydrophobicContact CB-CE1 3.93Å; L161-Y298 HydrophobicContact CD1-CD1 4.31Å; L295-Y298 HydrophobicContact CB-CD2 4.09Å; L295-Y298 HydrophobicContact CD2-CD2 4.24Å; L295-Y298 HydrophobicContact CD2-CE2 4.39Å; L295-Y298 PolarHBondContact O-N 3.16Å; P296-Y298 PolarHBondContact O-N 3.2Å
299	F	97.2	Very high	95.1	Very high	3 Å²	3	40.8 Å²	40.8	1%	0.013	21%	0.21	C	C	.	.	H	α-helix	trans	-119.3	8.8	-164	-66.5	-84.5	0	0	0	115.3	L119 L122 L161 I182 L291 E292 L295 P296 G301 V302	L119-F299 HydrophobicContact CD2-CE1 3.57Å; L119-F299 HydrophobicContact CD2-CZ 3.72Å; L122-F299 HydrophobicContact CD1-CD1 3.71Å; L122-F299 HydrophobicContact CD1-CE1 4.22Å; L122-F299 HydrophobicContact CD1-CG 4.47Å; L161-F299 HydrophobicContact CD1-CE2 4.39Å; L161-F299 HydrophobicContact CD1-CZ 4.11Å; I182-F299 HydrophobicContact CD1-CE2 4.37Å; I182-F299 HydrophobicContact CD1-CZ 4.01Å; L291-F299 HydrophobicContact CB-CB 4.33Å; L291-F299 HydrophobicContact CB-CD1 4Å; L291-F299 HydrophobicContact CB-CD2 3.86Å; L291-F299 HydrophobicContact CB-CE1 4.25Å; L291-F299 HydrophobicContact CB-CE2 4.13Å; L291-F299 HydrophobicContact CB-CG 3.81Å; L291-F299 HydrophobicContact CB-CZ 4.31Å; L291-F299 HydrophobicContact CD1-CD1 4.41Å; L291-F299 HydrophobicContact CD1-CE1 3.91Å; L291-F299 HydrophobicContact CD1-CZ 3.97Å; L291-F299 HydrophobicContact CD2-CE2 4.23Å; L291-F299 HydrophobicContact CD2-CZ 4.39Å; L291-F299 HydrophobicContact CG-CZ 4.46Å; E292-F299 HydrophobicContact CB-CB 4.28Å; L295-F299 HydrophobicContact CB-CD2 3.73Å; L295-F299 HydrophobicContact CB-CE2 4.12Å; L295-F299 HydrophobicContact CD1-CD2 4.42Å; L295-F299 HydrophobicContact CD1-CE2 3.96Å; L295-F299 PolarHBondContact O-N 3.42Å; P296-F299 PolarHBondContact O-N 2.99Å; F299-G301 PolarHBondContact O-N 3.02Å; F299-V302 HydrophobicContact CB-CB 4.38Å; F299-V302 HydrophobicContact CB-CG1 4.3Å; F299-V302 HydrophobicContact CD1-CG2 4.31Å; F299-V302 WeakPolarHBondContact O-CB 3.41Å; F299-V302 WeakPolarHBondContact O-CG1 3.22Å; F299-V302 PolarHBondContact O-N 3.12Å
300	S	96.1	Very high	94.8	Very high	51 Å²	51	44.9 Å²	44.9	36%	0.357	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	128.8	179.7	176.3	0	0	0	0	113.4	K125 H126 E292 P296 V302	K125-S300 PolarHBondContact NZ-O 2.87Å; H126-S300 PolarHBondContact CE1-O 3.41Å; H126-S300 VanDerWaalsContact CE1-O 3.26Å; H126-S300 PolarHBondContact NE2-N 3.15Å; H126-S300 PolarHBondContact NE2-O 3.26Å; E292-S300 WeakPolarHBondContact OE1-CA 3.36Å; P296-S300 WeakPolarHBondContact O-CB 3.15Å; P296-S300 PolarHBondContact O-N 2.93Å; S300-V302 VanDerWaalsContact C-N 3.31Å
301	G	95.1	Very high	94.6	Very high	6 Å²	6	45.2 Å²	45.2	6%	0.062	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	28	-172.8	0	0	0	0	0	113.5	E292 F299 L303 D304	E292-G301 PolarHBondContact OE1-N 3.18Å; F299-G301 PolarHBondContact O-N 3.02Å; G301-L303 VanDerWaalsContact C-N 3.33Å; G301-D304 WeakPolarHBondContact CA-OD2 3.24Å; G301-D304 PolarHBondContact O-N 2.92Å
302	V	96.5	Very high	94.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.6	-35.5	179	61.9	0	0	0	0	112.3	L118 L122 L288 E292 F299 S300 D304 I305 Y306	L118-V302 HydrophobicContact CD1-CG2 4.07Å; L118-V302 HydrophobicContact CD2-CG2 3.52Å; L118-V302 HydrophobicContact CG-CG2 3.83Å; L122-V302 HydrophobicContact CD1-CB 4.22Å; L122-V302 HydrophobicContact CD1-CG2 3.87Å; L122-V302 HydrophobicContact CD2-CB 4.33Å; L288-V302 HydrophobicContact CB-CG1 4.04Å; L288-V302 HydrophobicContact CB-CG2 4.22Å; L288-V302 HydrophobicContact CD1-CG2 4.33Å; L288-V302 HydrophobicContact CD2-CG2 3.87Å; L288-V302 HydrophobicContact CG-CG2 4.35Å; L288-V302 WeakPolarHBondContact O-CG1 3.33Å; E292-V302 HydrophobicContact CB-CG1 3.98Å; F299-V302 HydrophobicContact CB-CB 4.38Å; F299-V302 HydrophobicContact CB-CG1 4.3Å; F299-V302 HydrophobicContact CD1-CG2 4.31Å; F299-V302 WeakPolarHBondContact O-CB 3.41Å; F299-V302 WeakPolarHBondContact O-CG1 3.22Å; F299-V302 PolarHBondContact O-N 3.12Å; S300-V302 VanDerWaalsContact C-N 3.31Å; V302-D304 VanDerWaalsContact C-N 3.33Å; V302-D304 PolarHBondContact O-N 2.93Å; V302-I305 PolarHBondContact O-N 2.8Å; V302-Y306 WeakPolarHBondContact O-CB 3.48Å; V302-Y306 PolarHBondContact O-N 3.27Å
303	L	94.8	Very high	93.9	Very high	30 Å²	30	58.1 Å²	58.1	16%	0.157	28%	0.28	C	S	.	.	H	α-helix	trans	-67.2	-34	179.5	-71.1	-178.8	0	0	0	112.6	L288 L289 G301 Y306 K307	L288-L303 HydrophobicContact CB-CD2 4.06Å; L289-L303 HydrophobicContact CB-CD1 4.17Å; L289-L303 HydrophobicContact CD1-CD1 4.04Å; G301-L303 VanDerWaalsContact C-N 3.33Å; L303-Y306 PolarHBondContact O-N 3.06Å; L303-K307 WeakPolarHBondContact O-CB 3.25Å; L303-K307 VanDerWaalsContact O-CG 3.3Å; L303-K307 WeakPolarHBondContact O-CG 3.49Å; L303-K307 PolarHBondContact O-N 3.4Å
304	D	95.3	Very high	93.5	Very high	117 Å²	117	55.1 Å²	55.1	63%	0.626	27%	0.273	S	S	*	.	H	α-helix	trans	-64.7	-45.6	177.7	-51.8	-40.6	0	0	0	110.3	G301 V302 K307 S308	G301-D304 WeakPolarHBondContact CA-OD2 3.24Å; G301-D304 PolarHBondContact O-N 2.92Å; V302-D304 VanDerWaalsContact C-N 3.33Å; V302-D304 PolarHBondContact O-N 2.93Å; D304-K307 PolarHBondContact O-N 3.25Å; D304-S308 PolarHBondContact O-N 2.96Å; D304-S308 VanDerWaalsContact O-N 3.12Å
305	I	95.1	Very high	92.9	Very high	30 Å²	30	54.2 Å²	54.2	15%	0.154	27%	0.271	C	S	.	.	H	α-helix	trans	-65	-44.4	175.2	-56.4	166.7	0	0	0	110.1	L118 L121 L122 K125 V302 K307 S308 Y311	L118-I305 HydrophobicContact CD1-CB 3.78Å; L118-I305 HydrophobicContact CD1-CG2 3.47Å; L118-I305 VanDerWaalsContact CD1-CG2 3.47Å; L121-I305 HydrophobicContact CB-CG2 4.18Å; L121-I305 HydrophobicContact CD1-CG2 3.55Å; L122-I305 HydrophobicContact CD2-CD1 3.74Å; L122-I305 HydrophobicContact CG-CD1 4.16Å; K125-I305 HydrophobicContact CD-CD1 4.37Å; V302-I305 PolarHBondContact O-N 2.8Å; I305-K307 VanDerWaalsContact C-N 3.28Å; I305-K307 PolarHBondContact O-N 3.43Å; I305-S308 WeakPolarHBondContact O-CB 3.49Å; I305-S308 PolarHBondContact O-N 3.41Å; I305-Y311 HydrophobicContact CG2-CD2 4.46Å; I305-Y311 WeakPolarHBondContact O-CB 3.35Å
306	Y	94.5	Very high	92.4	Very high	55 Å²	55	59.9 Å²	59.9	22%	0.216	30%	0.301	C	S	.	.	H	α-helix	trans	-62.5	-33.5	179.6	179.3	-98.5	0	0	0	113.2	L118 L284 E285 L288 V302 L303 Y311	L118-Y306 HydrophobicContact CD2-CD2 4.35Å; L284-Y306 HydrophobicContact CD2-CE2 3.68Å; L284-Y306 HydrophobicContact CG-CE2 4.28Å; E285-Y306 HydrophobicContact CG-CD1 4.04Å; E285-Y306 HydrophobicContact CG-CE1 3.48Å; E285-Y306 VanDerWaalsContact CG-CE1 3.48Å; L288-Y306 HydrophobicContact CD1-CD1 4.27Å; L288-Y306 HydrophobicContact CD1-CD2 3.49Å; L288-Y306 VanDerWaalsContact CD1-CD2 3.49Å; L288-Y306 HydrophobicContact CD1-CE2 4.08Å; L288-Y306 HydrophobicContact CD1-CG 3.62Å; V302-Y306 WeakPolarHBondContact O-CB 3.48Å; V302-Y306 PolarHBondContact O-N 3.27Å; L303-Y306 PolarHBondContact O-N 3.06Å; Y306-Y311 HydrophobicContact CD2-CD1 4.23Å; Y306-Y311 AromaticContact CD2-CE1 3.39Å; Y306-Y311 HydrophobicContact CD2-CE1 3.39Å; Y306-Y311 AromaticContact CD2-CZ 3.99Å; Y306-Y311 AromaticContact CE2-CE1 3.88Å; Y306-Y311 HydrophobicContact CE2-CE1 3.88Å; Y306-Y311 HydrophobicContact CG-CE1 4.19Å; Y306-Y311 VanDerWaalsContact O-CD1 3.28Å; Y306-Y311 WeakPolarHBondContact O-CD1 3.49Å
307	K	94.1	Very high	91.8	Very high	109 Å²	109	61.5 Å²	61.5	47%	0.474	31%	0.307	S	S	.	.	H	α-helix	trans	-85.9	-13.3	179.6	-70	175.1	180	-178.9	0	113.3	E285 L303 D304 I305 R312	E285-K307 WeakPolarHBondContact OE2-CE 3.41Å; E285-K307 IonicContact OE2-NZ 3.54Å; L303-K307 WeakPolarHBondContact O-CB 3.25Å; L303-K307 VanDerWaalsContact O-CG 3.3Å; L303-K307 WeakPolarHBondContact O-CG 3.49Å; L303-K307 PolarHBondContact O-N 3.4Å; D304-K307 PolarHBondContact O-N 3.25Å; I305-K307 VanDerWaalsContact C-N 3.28Å; I305-K307 PolarHBondContact O-N 3.43Å; K307-R312 WeakPolarHBondContact O-CD 3.44Å
308	S	94.5	Very high	91.3	Very high	29 Å²	29	60.9 Å²	60.9	20%	0.203	31%	0.307	C	S	.	.	S	Bend	trans	-59.2	142.5	179.8	120.7	0	0	0	0	112.5	D304 I305 E310 Y311 R312	D304-S308 PolarHBondContact O-N 2.96Å; D304-S308 VanDerWaalsContact O-N 3.12Å; I305-S308 WeakPolarHBondContact O-CB 3.49Å; I305-S308 PolarHBondContact O-N 3.41Å; S308-E310 VanDerWaalsContact C-N 3.32Å; S308-E310 WeakPolarHBondContact CB-OE2 3.37Å; S308-E310 PolarHBondContact O-N 2.91Å; S308-E310 PolarHBondContact OG-N 3.38Å; S308-E310 PolarHBondContact OG-OE2 3.36Å; S308-Y311 PolarHBondContact O-N 3.19Å; S308-Y311 PolarHBondContact OG-N 3.16Å; S308-Y311 VanDerWaalsContact OG-N 3.15Å; S308-R312 VanDerWaalsContact O-CG 3.29Å; S308-R312 WeakPolarHBondContact O-CG 3.45Å; S308-R312 PolarHBondContact O-N 3.03Å
309	P	92.5	Very high	90.8	Very high	93 Å²	93	62.2 Å²	62.2	60%	0.604	32%	0.32	S	S	*	.	H	α-helix	trans	-65.8	-33.2	179.6	25.3	-31.6	0	0	0	112.6	R312 K313	P309-R312 PolarHBondContact O-N 3.5Å; P309-K313 WeakPolarHBondContact O-CB 3.47Å; P309-K313 PolarHBondContact O-N 3.31Å
310	E	89.3	Confident	90.1	Very high	123 Å²	123	62.6 Å²	62.6	58%	0.575	32%	0.323	S	S	*	.	H	α-helix	trans	-62.4	-47.7	175.8	-54.5	71.1	-153.1	0	0	110.7	S308 K313 M314	S308-E310 VanDerWaalsContact C-N 3.32Å; S308-E310 WeakPolarHBondContact CB-OE2 3.37Å; S308-E310 PolarHBondContact O-N 2.91Å; S308-E310 PolarHBondContact OG-N 3.38Å; S308-E310 PolarHBondContact OG-OE2 3.36Å; E310-K313 PolarHBondContact O-N 3.14Å; E310-M314 PolarHBondContact O-N 2.92Å
311	Y	91.3	Very high	89.6	Confident	6 Å²	6	60.4 Å²	60.4	2%	0.024	31%	0.307	C	S	.	.	H	α-helix	trans	-64.8	-45.7	177	178.4	-93.5	0	0	0	111.6	T114 I117 L118 L121 I305 Y306 S308 K313 M314 G315	T114-Y311 HydrophobicContact CG2-CE1 4.32Å; T114-Y311 WeakPolarHBondContact CG2-OH 3.5Å; T114-Y311 PolarHBondContact O-OH 3.08Å; T114-Y311 VanDerWaalsContact O-OH 3.09Å; I117-Y311 HydrophobicContact CB-CE2 4.36Å; I117-Y311 HydrophobicContact CG2-CD2 4.18Å; I117-Y311 HydrophobicContact CG2-CE2 4.05Å; L118-Y311 HydrophobicContact CB-CE2 3.72Å; L118-Y311 HydrophobicContact CD1-CD2 4.3Å; L118-Y311 HydrophobicContact CD1-CE2 3.95Å; L118-Y311 HydrophobicContact CG-CE2 4.34Å; L121-Y311 HydrophobicContact CD1-CD2 4.18Å; I305-Y311 HydrophobicContact CG2-CD2 4.46Å; I305-Y311 WeakPolarHBondContact O-CB 3.35Å; Y306-Y311 HydrophobicContact CD2-CD1 4.23Å; Y306-Y311 AromaticContact CD2-CE1 3.39Å; Y306-Y311 HydrophobicContact CD2-CE1 3.39Å; Y306-Y311 AromaticContact CD2-CZ 3.99Å; Y306-Y311 AromaticContact CE2-CE1 3.88Å; Y306-Y311 HydrophobicContact CE2-CE1 3.88Å; Y306-Y311 HydrophobicContact CG-CE1 4.19Å; Y306-Y311 VanDerWaalsContact O-CD1 3.28Å; Y306-Y311 WeakPolarHBondContact O-CD1 3.49Å; S308-Y311 PolarHBondContact O-N 3.19Å; S308-Y311 PolarHBondContact OG-N 3.16Å; S308-Y311 VanDerWaalsContact OG-N 3.15Å; Y311-K313 VanDerWaalsContact C-N 3.29Å; Y311-K313 PolarHBondContact O-N 3.46Å; Y311-M314 CarbonylContact O-C 3.58Å; Y311-M314 PolarHBondContact O-N 3.39Å; Y311-M314 VanDerWaalsContact O-N 3.09Å; Y311-G315 PolarHBondContact O-N 3.39Å
312	R	89.1	Confident	89.1	Confident	155 Å²	155	66.4 Å²	66.4	59%	0.585	33%	0.328	S	S	*	.	H	α-helix	trans	-60.6	-38.2	178.6	-69.7	177	78.6	164.2	5.8	111.9	K307 S308 P309 G315 N316	K307-R312 WeakPolarHBondContact O-CD 3.44Å; S308-R312 VanDerWaalsContact O-CG 3.29Å; S308-R312 WeakPolarHBondContact O-CG 3.45Å; S308-R312 PolarHBondContact O-N 3.03Å; P309-R312 PolarHBondContact O-N 3.5Å; R312-G315 PolarHBondContact O-N 3.23Å; R312-N316 WeakPolarHBondContact O-CB 3.41Å; R312-N316 PolarHBondContact O-N 2.92Å; R312-N316 PolarHBondContact O-OD1 3.47Å
313	K	87.4	Confident	88.7	Confident	162 Å²	162	71.7 Å²	71.7	70%	0.704	35%	0.351	S	S	*	.	H	α-helix	trans	-59	-47.6	172.1	-173.1	177.6	-179.1	179.2	0	111.7	P309 E310 Y311 L317	P309-K313 WeakPolarHBondContact O-CB 3.47Å; P309-K313 PolarHBondContact O-N 3.31Å; E310-K313 PolarHBondContact O-N 3.14Å; Y311-K313 VanDerWaalsContact C-N 3.29Å; Y311-K313 PolarHBondContact O-N 3.46Å; K313-L317 WeakPolarHBondContact O-CG 3.22Å
314	M	85.5	Confident	88.3	Confident	77 Å²	77	76.2 Å²	76.2	38%	0.379	37%	0.371	S	S	.	.	H	α-helix	trans	-66.5	-36.5	176.1	-69.3	-171.8	-77.6	0	0	113.3	I117 E310 Y311 L317	I117-M314 HydrophobicContact CG2-CE 4.14Å; I117-M314 HydrophobicContact CG2-SD 4.2Å; E310-M314 PolarHBondContact O-N 2.92Å; Y311-M314 CarbonylContact O-C 3.58Å; Y311-M314 PolarHBondContact O-N 3.39Å; Y311-M314 VanDerWaalsContact O-N 3.09Å; M314-L317 PolarHBondContact O-N 3.2Å
315	G	82.3	Confident	88	Confident	10 Å²	10	76 Å²	76	10%	0.103	37%	0.374	C	S	.	.	H	α-helix	trans	-64.8	-45.1	178.3	0	0	0	0	0	112.6	Y311 R312 L317 T318	Y311-G315 PolarHBondContact O-N 3.39Å; R312-G315 PolarHBondContact O-N 3.23Å; G315-L317 VanDerWaalsContact C-N 3.25Å; G315-L317 PolarHBondContact O-N 3.23Å; G315-T318 VanDerWaalsContact O-CB 3.32Å; G315-T318 WeakPolarHBondContact O-CB 3.5Å; G315-T318 WeakPolarHBondContact O-CG2 3.3Å; G315-T318 PolarHBondContact O-N 3.37Å; G315-T318 PolarHBondContact O-OG1 3.17Å
316	N	83.9	Confident	87.9	Confident	119 Å²	119	75 Å²	75	64%	0.636	37%	0.37	S	S	*	.	H	α-helix	trans	-59.4	-36.6	178.9	-70.6	-8.9	0	0	0	112.2	R312 T318 G319	R312-N316 WeakPolarHBondContact O-CB 3.41Å; R312-N316 PolarHBondContact O-N 2.92Å; R312-N316 PolarHBondContact O-OD1 3.47Å; N316-T318 PolarHBondContact O-N 2.95Å; N316-G319 PolarHBondContact O-N 3.34Å; N316-G319 VanDerWaalsContact O-N 3.1Å
317	L	83.6	Confident	87.8	Confident	73 Å²	73	75.4 Å²	75.4	38%	0.382	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-8.5	176.4	-64.7	174.5	0	0	0	114.2	W204 R205 K313 M314 G315	W204-L317 HydrophobicContact CB-CD2 4.12Å; R205-L317 HydrophobicContact CG-CB 3.93Å; K313-L317 WeakPolarHBondContact O-CG 3.22Å; M314-L317 PolarHBondContact O-N 3.2Å; G315-L317 VanDerWaalsContact C-N 3.25Å; G315-L317 PolarHBondContact O-N 3.23Å
318	T	83	Confident	87.8	Confident	30 Å²	30	74.1 Å²	74.1	18%	0.184	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-11.6	174.9	77.1	0	0	0	0	114.4	T114 I117 R205 G315 N316	T114-T318 PolarHBondContact OG1-OG1 3.48Å; I117-T318 HydrophobicContact CD1-CG2 4.3Å; R205-T318 VanDerWaalsContact NH2-CA 3.33Å; R205-T318 VanDerWaalsContact NH2-CG2 3.33Å; G315-T318 VanDerWaalsContact O-CB 3.32Å; G315-T318 WeakPolarHBondContact O-CB 3.5Å; G315-T318 WeakPolarHBondContact O-CG2 3.3Å; G315-T318 PolarHBondContact O-N 3.37Å; G315-T318 PolarHBondContact O-OG1 3.17Å; N316-T318 PolarHBondContact O-N 2.95Å
319	G	85	Confident	87.8	Confident	28 Å²	28	78.4 Å²	78.4	29%	0.289	39%	0.393	S	S	.	.	S	Bend	trans	-60	139	179.7	0	0	0	0	0	112.1	D203 W204 N316	D203-G319 VanDerWaalsContact CA-O 3.32Å; D203-G319 WeakPolarHBondContact CA-O 3.29Å; D203-G319 WeakPolarHBondContact CB-O 3.33Å; W204-G319 PolarHBondContact N-O 3.38Å; N316-G319 PolarHBondContact O-N 3.34Å; N316-G319 VanDerWaalsContact O-N 3.1Å
320	T	83.9	Confident	87.9	Confident	12 Å²	12	74 Å²	74	7%	0.074	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-76.9	129.6	170.7	-60.8	0	0	0	0	109.7	K109 F197 F198 G202 K323	K109-T320 PolarHBondContact NZ-OG1 2.96Å; F197-T320 HydrophobicContact CB-CG2 3.81Å; F198-T320 HydrophobicContact CB-CG2 3.71Å; F198-T320 VanDerWaalsContact N-CG2 3.34Å; G202-T320 WeakPolarHBondContact O-CA 3.11Å; T320-K323 HydrophobicContact CG2-CD 4.36Å; T320-K323 HydrophobicContact CG2-CG 4.05Å; T320-K323 VanDerWaalsContact O-CE 3.28Å; T320-K323 WeakPolarHBondContact O-CE 3.31Å
321	V	85.9	Confident	88.2	Confident	4 Å²	4	68.6 Å²	68.6	2%	0.024	34%	0.339	C	S	.	.	S	Bend	trans	-82.3	164.9	-176.4	-50.8	0	0	0	0	111.5	F201 G202 W204 K323	F201-V321 HydrophobicContact CB-CG2 3.52Å; F201-V321 VanDerWaalsContact O-CG2 3.32Å; F201-V321 WeakPolarHBondContact O-CG2 3.13Å; G202-V321 PolarHBondContact O-N 3.31Å; W204-V321 HydrophobicContact CD2-CG1 3.49Å; W204-V321 VanDerWaalsContact CD2-CG1 3.49Å; W204-V321 HydrophobicContact CE3-CG1 3.86Å; W204-V321 HydrophobicContact CG-CG1 3.81Å; W204-V321 HydrophobicContact CH2-CG1 4.38Å; W204-V321 HydrophobicContact CZ2-CB 4.49Å; W204-V321 HydrophobicContact CZ2-CG1 4.07Å; W204-V321 HydrophobicContact CZ3-CG1 4.28Å; V321-K323 VanDerWaalsContact C-N 3.26Å; V321-K323 PolarHBondContact O-N 2.79Å; V321-K323 VanDerWaalsContact O-N 3.11Å
322	R	84.1	Confident	88.3	Confident	132 Å²	132	70.2 Å²	70.2	50%	0.498	35%	0.347	S	S	.	.	S	Bend	trans	46.9	44.3	171.4	-56.4	-178	-172.1	-169.2	0.3	114.1	F197 F201 H324	F197-R322 WeakPolarHBondContact CD1-O 3.45Å; F201-R322 HydrophobicContact CB-CB 4.45Å; F201-R322 HydrophobicContact CD2-CB 3.72Å; F201-R322 HydrophobicContact CE2-CB 4.23Å; F201-R322 HydrophobicContact CG-CB 4.17Å; R322-H324 PolarHBondContact O-CD2 3.09Å
323	K	87.7	Confident	88.6	Confident	112 Å²	112	65 Å²	65	49%	0.487	33%	0.332	S	S	.	.			trans	-82.9	131.3	173.8	-65.5	179.3	-68.4	123.8	0	109.5	F197 T320 V321	F197-K323 HydrophobicContact CB-CG 4Å; F197-K323 HydrophobicContact CD2-CB 3.95Å; F197-K323 HydrophobicContact CD2-CG 3.91Å; F197-K323 HydrophobicContact CE2-CB 4.43Å; F197-K323 HydrophobicContact CG-CB 4.39Å; F197-K323 HydrophobicContact CG-CG 4.17Å; T320-K323 HydrophobicContact CG2-CD 4.36Å; T320-K323 HydrophobicContact CG2-CG 4.05Å; T320-K323 VanDerWaalsContact O-CE 3.28Å; T320-K323 WeakPolarHBondContact O-CE 3.31Å; V321-K323 VanDerWaalsContact C-N 3.26Å; V321-K323 PolarHBondContact O-N 2.79Å; V321-K323 VanDerWaalsContact O-N 3.11Å
324	H	86.8	Confident	88.9	Confident	124 Å²	124	57.3 Å²	57.3	57%	0.574	30%	0.299	S	S	*	.			trans	-117.4	148.9	171.5	-58.3	-82	0	0	0	109.6	F197 R322	F197-H324 VanDerWaalsContact CE2-O 3.22Å; F197-H324 WeakPolarHBondContact CE2-O 3.26Å; F197-H324 HydrophobicContact CZ-CB 4.03Å; R322-H324 PolarHBondContact O-CD2 3.09Å
325	T	88.3	Confident	89.4	Confident	113 Å²	113	55.8 Å²	55.8	69%	0.693	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-86	131.4	174.5	-50.6	0	0	0	0	108.4	L331	T325-L331 HydrophobicContact CG2-CD1 4.33Å
326	P	92.7	Very high	90	Very high	9 Å²	9	58.9 Å²	58.9	6%	0.058	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-64.6	168.4	173.5	-16.5	28.7	0	0	0	112.7	L193 I226 N227 I230 A330 L331	L193-P326 HydrophobicContact CD1-CG 4.33Å; L193-P326 HydrophobicContact CD2-CG 3.66Å; I226-P326 HydrophobicContact CG1-CG 3.89Å; I226-P326 HydrophobicContact CG2-CB 4.24Å; I226-P326 HydrophobicContact CG2-CG 4.06Å; N227-P326 WeakPolarHBondContact OD1-CA 3.34Å; N227-P326 WeakPolarHBondContact OD1-CB 3.41Å; I230-P326 HydrophobicContact CD1-CB 4.31Å; I230-P326 HydrophobicContact CD1-CG 4.15Å; P326-A330 HydrophobicContact CB-CB 3.87Å; P326-L331 HydrophobicContact CB-CD2 4.37Å; P326-L331 HydrophobicContact CB-CG 4.21Å; P326-L331 HydrophobicContact CG-CD2 4.08Å; P326-L331 HydrophobicContact CG-CG 4.45Å
327	T	93.8	Very high	90.5	Very high	64 Å²	64	55.4 Å²	55.4	39%	0.393	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-61.9	159.6	168.7	60.8	0	0	0	0	111.5	N227 E329 A330 L331	N227-T327 PolarHBondContact OD1-N 3.35Å; T327-E329 VanDerWaalsContact C-N 3.3Å; T327-E329 PolarHBondContact O-N 3.44Å; T327-A330 PolarHBondContact O-N 2.95Å; T327-A330 WeakPolarHBondContact OG1-CB 3.49Å; T327-A330 PolarHBondContact OG1-N 3.45Å; T327-L331 WeakPolarHBondContact O-CG 3.5Å; T327-L331 PolarHBondContact O-N 2.88Å
328	L	93	Very high	91.1	Very high	82 Å²	82	52.1 Å²	52.1	43%	0.429	26%	0.261	S	S	.	.	H	α-helix	trans	-56.9	-43.8	177.6	178.5	57.1	0	0	0	112	L331 Q332 F374	L328-L331 WeakPolarHBondContact O-CB 3.32Å; L328-L331 PolarHBondContact O-N 2.77Å; L328-Q332 HydrophobicContact CD1-CG 4.5Å; L328-Q332 WeakPolarHBondContact O-CG 3.26Å; L328-Q332 PolarHBondContact O-N 2.63Å; L328-F374 HydrophobicContact CD1-CD2 3.67Å; L328-F374 HydrophobicContact CD1-CE2 3.47Å; L328-F374 VanDerWaalsContact CD1-CE2 3.47Å
329	E	94.3	Very high	91.8	Very high	119 Å²	119	57.7 Å²	57.7	56%	0.556	28%	0.279	S	S	*	.	H	α-helix	trans	-59.6	-48.2	176.2	-173.8	-173	-177.6	0	0	112.2	L231 T327 L331 Q332 V333	L231-E329 HydrophobicContact CD2-CG 3.9Å; T327-E329 VanDerWaalsContact C-N 3.3Å; T327-E329 PolarHBondContact O-N 3.44Å; E329-L331 VanDerWaalsContact C-N 3.32Å; E329-L331 PolarHBondContact O-N 2.97Å; E329-Q332 WeakPolarHBondContact O-CB 3.45Å; E329-Q332 PolarHBondContact O-N 3.24Å; E329-Q332 VanDerWaalsContact O-N 3.15Å; E329-V333 PolarHBondContact O-N 3.05Å
330	A	95.4	Very high	92.4	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.9	-37.4	176.6	0	0	0	0	0	111.7	I230 L231 P326 T327 L334	I230-A330 HydrophobicContact CB-CB 4.21Å; I230-A330 HydrophobicContact CD1-CB 4.12Å; I230-A330 HydrophobicContact CG2-CB 4.23Å; I230-A330 WeakPolarHBondContact CG2-O 3.48Å; L231-A330 HydrophobicContact CD2-CB 4.26Å; L231-A330 HydrophobicContact CG-CB 4.27Å; P326-A330 HydrophobicContact CB-CB 3.87Å; T327-A330 PolarHBondContact O-N 2.95Å; T327-A330 WeakPolarHBondContact OG1-CB 3.49Å; T327-A330 PolarHBondContact OG1-N 3.45Å; A330-L334 VanDerWaalsContact O-CB 3.25Å; A330-L334 WeakPolarHBondContact O-CB 3.41Å; A330-L334 PolarHBondContact O-N 3.03Å
331	L	94.4	Very high	93.1	Very high	9 Å²	9	57.5 Å²	57.5	5%	0.047	27%	0.269	C	S	.	.	H	α-helix	trans	-63.8	-38.3	173.2	-72.7	172.2	0	0	0	112.4	I189 T325 P326 T327 L328 E329 L334 Y335 Y370 F374	I189-L331 HydrophobicContact CD1-CD2 4.37Å; I189-L331 HydrophobicContact CG2-CD2 3.8Å; T325-L331 HydrophobicContact CG2-CD1 4.33Å; P326-L331 HydrophobicContact CB-CD2 4.37Å; P326-L331 HydrophobicContact CB-CG 4.21Å; P326-L331 HydrophobicContact CG-CD2 4.08Å; P326-L331 HydrophobicContact CG-CG 4.45Å; T327-L331 WeakPolarHBondContact O-CG 3.5Å; T327-L331 PolarHBondContact O-N 2.88Å; L328-L331 WeakPolarHBondContact O-CB 3.32Å; L328-L331 PolarHBondContact O-N 2.77Å; E329-L331 VanDerWaalsContact C-N 3.32Å; E329-L331 PolarHBondContact O-N 2.97Å; L331-L334 PolarHBondContact O-N 2.9Å; L331-Y335 WeakPolarHBondContact O-CB 3.37Å; L331-Y335 PolarHBondContact O-N 2.95Å; L331-Y370 HydrophobicContact CD1-CE1 4.32Å; L331-F374 HydrophobicContact CB-CE2 4.32Å; L331-F374 HydrophobicContact CB-CZ 4.05Å; L331-F374 HydrophobicContact CD1-CE2 4.08Å; L331-F374 HydrophobicContact CD1-CZ 4.13Å
332	Q	93.3	Very high	93.7	Very high	41 Å²	41	57.8 Å²	57.8	19%	0.192	27%	0.269	C	S	.	.	H	α-helix	trans	-63.9	-52.6	176.3	-72.3	165.3	-18	0	0	111.5	L328 E329 L334 Y335 H336 L378	L328-Q332 HydrophobicContact CD1-CG 4.5Å; L328-Q332 WeakPolarHBondContact O-CG 3.26Å; L328-Q332 PolarHBondContact O-N 2.63Å; E329-Q332 WeakPolarHBondContact O-CB 3.45Å; E329-Q332 PolarHBondContact O-N 3.24Å; E329-Q332 VanDerWaalsContact O-N 3.15Å; Q332-L334 PolarHBondContact O-N 3.45Å; Q332-Y335 WeakPolarHBondContact O-CB 3.17Å; Q332-Y335 PolarHBondContact O-N 2.6Å; Q332-Y335 VanDerWaalsContact O-N 3.12Å; Q332-H336 PolarHBondContact O-CD2 2.75Å; Q332-H336 PolarHBondContact O-N 3.15Å; Q332-L378 HydrophobicContact CB-CD2 4.02Å; Q332-L378 HydrophobicContact CG-CD2 3.6Å; Q332-L378 HydrophobicContact CG-CG 4.42Å
333	V	95.7	Very high	94.3	Very high	45 Å²	45	55.7 Å²	55.7	27%	0.273	27%	0.265	S	S	.	.	H	α-helix	trans	-55	-42.5	175.4	172.2	0	0	0	0	111.4	I230 L231 E329 R337	I230-V333 HydrophobicContact CG2-CB 4.06Å; I230-V333 HydrophobicContact CG2-CG1 3.84Å; L231-V333 HydrophobicContact CD2-CG2 4.13Å; E329-V333 PolarHBondContact O-N 3.05Å; V333-R337 VanDerWaalsContact CG1-NH2 3.29Å; V333-R337 VanDerWaalsContact O-CG 3.3Å; V333-R337 WeakPolarHBondContact O-CG 3.25Å; V333-R337 PolarHBondContact O-N 2.95Å; V333-R337 VanDerWaalsContact O-N 3.16Å
334	L	95.3	Very high	94.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68.9	-38.9	178.9	-168	67.1	0	0	0	112.8	I189 F192 I230 V242 A330 L331 Q332 R337 M338	I189-L334 HydrophobicContact CB-CD2 4.34Å; I189-L334 HydrophobicContact CD1-CD2 4.34Å; I189-L334 HydrophobicContact CG1-CD2 3.83Å; I189-L334 HydrophobicContact CG1-CG 4.14Å; I189-L334 HydrophobicContact CG2-CD2 3.87Å; F192-L334 HydrophobicContact CD1-CD1 4.21Å; F192-L334 HydrophobicContact CD1-CD2 3.49Å; F192-L334 VanDerWaalsContact CD1-CD2 3.49Å; F192-L334 HydrophobicContact CD1-CG 4.43Å; F192-L334 HydrophobicContact CE1-CD1 3.93Å; F192-L334 HydrophobicContact CE1-CD2 3.59Å; F192-L334 HydrophobicContact CE1-CG 4.44Å; F192-L334 HydrophobicContact CG-CD2 4.42Å; F192-L334 HydrophobicContact CZ-CD1 4.2Å; I230-L334 HydrophobicContact CD1-CB 4.42Å; I230-L334 HydrophobicContact CD1-CD1 4.5Å; I230-L334 HydrophobicContact CD1-CD2 4.03Å; I230-L334 HydrophobicContact CG1-CD1 4.4Å; I230-L334 HydrophobicContact CG2-CB 4.25Å; V242-L334 HydrophobicContact CG1-CD1 4.18Å; A330-L334 VanDerWaalsContact O-CB 3.25Å; A330-L334 WeakPolarHBondContact O-CB 3.41Å; A330-L334 PolarHBondContact O-N 3.03Å; L331-L334 PolarHBondContact O-N 2.9Å; Q332-L334 PolarHBondContact O-N 3.45Å; L334-R337 PolarHBondContact O-N 2.88Å; L334-M338 HydrophobicContact CD1-CE 3.53Å; L334-M338 HydrophobicContact CD2-CE 4.08Å; L334-M338 HydrophobicContact CG-CE 3.71Å; L334-M338 HydrophobicContact CG-SD 4.17Å; L334-M338 WeakPolarHBondContact O-CB 3.05Å; L334-M338 WeakPolarHBondContact O-CG 3.36Å; L334-M338 PolarHBondContact O-N 3.26Å
335	Y	94.9	Very high	95.4	Very high	46 Å²	46	45.4 Å²	45.4	18%	0.18	22%	0.218	C	C	.	.	H	α-helix	trans	-61.1	-49.8	176.4	-177.7	-92.4	0	0	0	111.3	L331 Q332 R337 M338 R339 Y342 L375 L378	L331-Y335 WeakPolarHBondContact O-CB 3.37Å; L331-Y335 PolarHBondContact O-N 2.95Å; Q332-Y335 WeakPolarHBondContact O-CB 3.17Å; Q332-Y335 PolarHBondContact O-N 2.6Å; Q332-Y335 VanDerWaalsContact O-N 3.12Å; Y335-R337 PolarHBondContact O-N 2.84Å; Y335-M338 CarbonylContact O-C 3.59Å; Y335-M338 VanDerWaalsContact O-C 3.32Å; Y335-M338 WeakPolarHBondContact O-CA 3.32Å; Y335-M338 PolarHBondContact O-N 2.87Å; Y335-R339 PolarHBondContact O-N 2.91Å; Y335-R339 VanDerWaalsContact O-N 3.08Å; Y335-Y342 HydrophobicContact CD2-CD1 4.49Å; Y335-Y342 AromaticContact CD2-CD2 3.53Å; Y335-Y342 HydrophobicContact CD2-CD2 3.53Å; Y335-Y342 HydrophobicContact CD2-CE1 4.4Å; Y335-Y342 AromaticContact CD2-CE2 3.41Å; Y335-Y342 HydrophobicContact CD2-CE2 3.41Å; Y335-Y342 VanDerWaalsContact CD2-CE2 3.41Å; Y335-Y342 HydrophobicContact CD2-CG 4.11Å; Y335-Y342 AromaticContact CD2-CZ 3.91Å; Y335-Y342 AromaticContact CE2-CD1 3.88Å; Y335-Y342 HydrophobicContact CE2-CD1 3.88Å; Y335-Y342 AromaticContact CE2-CD2 3.53Å; Y335-Y342 HydrophobicContact CE2-CD2 3.53Å; Y335-Y342 HydrophobicContact CE2-CE1 4.1Å; Y335-Y342 AromaticContact CE2-CE2 3.77Å; Y335-Y342 HydrophobicContact CE2-CE2 3.77Å; Y335-Y342 AromaticContact CE2-CG 3.61Å; Y335-Y342 HydrophobicContact CE2-CG 3.61Å; Y335-Y342 HydrophobicContact CG-CD2 4.39Å; Y335-Y342 HydrophobicContact CG-CE2 4.37Å; Y335-L375 HydrophobicContact CE2-CD2 4.2Å; Y335-L378 HydrophobicContact CD1-CB 4.41Å; Y335-L378 HydrophobicContact CD1-CD1 4.15Å; Y335-L378 HydrophobicContact CD1-CD2 3.76Å; Y335-L378 HydrophobicContact CD1-CG 4.36Å; Y335-L378 HydrophobicContact CD2-CD1 3.94Å; Y335-L378 HydrophobicContact CE1-CB 4.38Å; Y335-L378 HydrophobicContact CE1-CD1 4.47Å; Y335-L378 HydrophobicContact CE2-CD1 4.28Å; Y335-L378 HydrophobicContact CG-CD1 3.88Å; Y335-L378 HydrophobicContact CG-CD2 3.88Å; Y335-L378 HydrophobicContact CG-CG 4.47Å
336	H	94.2	Very high	95.9	Very high	74 Å²	74	42.3 Å²	42.3	34%	0.343	20%	0.197	S	C	.	.	H	α-helix	trans	-59.8	-43.8	176.9	-63.4	-62.6	0	0	0	112	Q332 M338 R339 T382	Q332-H336 PolarHBondContact O-CD2 2.75Å; Q332-H336 PolarHBondContact O-N 3.15Å; H336-M338 PolarHBondContact O-N 3.26Å; H336-R339 PolarHBondContact O-N 3.27Å; H336-T382 PolarHBondContact CE1-OG1 2.88Å
337	R	95.8	Very high	96.2	Very high	47 Å²	47	43.7 Å²	43.7	18%	0.177	20%	0.203	C	C	.	.	H	α-helix	trans	-60.7	-27.6	174.2	-71.3	175.6	-175.4	162.6	11.5	113	I230 N233 C237 N239 V242 V333 L334 Y335	I230-R337 VanDerWaalsContact O-CZ 3.27Å; I230-R337 PolarHBondContact O-NH1 3.16Å; I230-R337 PolarHBondContact O-NH2 3.33Å; N233-R337 PolarHBondContact OD1-NH2 3.1Å; C237-R337 PolarHBondContact O-NH1 3.31Å; N239-R337 PolarHBondContact ND2-O 3.25Å; V242-R337 HydrophobicContact CG2-CB 4.36Å; V333-R337 VanDerWaalsContact CG1-NH2 3.29Å; V333-R337 VanDerWaalsContact O-CG 3.3Å; V333-R337 WeakPolarHBondContact O-CG 3.25Å; V333-R337 PolarHBondContact O-N 2.95Å; V333-R337 VanDerWaalsContact O-N 3.16Å; L334-R337 PolarHBondContact O-N 2.88Å; Y335-R337 PolarHBondContact O-N 2.84Å
338	M	96.6	Very high	96.4	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.02	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	12.4	179.5	-69.5	-175.5	-173.3	0	0	114.3	P188 I189 F192 V242 L334 Y335 H336 Y340 E341 Y342	P188-M338 HydrophobicContact CB-SD 3.81Å; I189-M338 HydrophobicContact CG1-SD 3.85Å; F192-M338 HydrophobicContact CB-CE 3.47Å; F192-M338 VanDerWaalsContact CB-CE 3.47Å; F192-M338 HydrophobicContact CD1-CE 4.06Å; F192-M338 HydrophobicContact CD2-CE 3.91Å; F192-M338 HydrophobicContact CG-CE 3.54Å; V242-M338 HydrophobicContact CB-CE 3.71Å; V242-M338 HydrophobicContact CB-CG 4.35Å; V242-M338 HydrophobicContact CG1-CE 3.98Å; V242-M338 HydrophobicContact CG2-CG 4.32Å; L334-M338 HydrophobicContact CD1-CE 3.53Å; L334-M338 HydrophobicContact CD2-CE 4.08Å; L334-M338 HydrophobicContact CG-CE 3.71Å; L334-M338 HydrophobicContact CG-SD 4.17Å; L334-M338 WeakPolarHBondContact O-CB 3.05Å; L334-M338 WeakPolarHBondContact O-CG 3.36Å; L334-M338 PolarHBondContact O-N 3.26Å; Y335-M338 CarbonylContact O-C 3.59Å; Y335-M338 VanDerWaalsContact O-C 3.32Å; Y335-M338 WeakPolarHBondContact O-CA 3.32Å; Y335-M338 PolarHBondContact O-N 2.87Å; H336-M338 PolarHBondContact O-N 3.26Å; M338-Y340 VanDerWaalsContact C-N 3.3Å; M338-Y340 PolarHBondContact O-N 2.8Å; M338-Y340 VanDerWaalsContact O-N 3.09Å; M338-E341 HydrophobicContact CB-CB 4.35Å; M338-E341 WeakPolarHBondContact O-CA 3.18Å; M338-E341 WeakPolarHBondContact O-CB 3.28Å; M338-E341 PolarHBondContact O-N 3.32Å; M338-Y342 HydrophobicContact CB-CD2 4.07Å; M338-Y342 HydrophobicContact CB-CE2 4.24Å; M338-Y342 PolarHBondContact O-N 3.1Å
339	R	96.3	Very high	96.6	Very high	147 Å²	147	40.3 Å²	40.3	56%	0.555	18%	0.177	S	C	*	.	H	α-helix	trans	-46.7	-47.3	-173.1	68.5	-179.6	-180	103.8	-14.1	114.4	Y335 H336 E341 Y342 E343	Y335-R339 PolarHBondContact O-N 2.91Å; Y335-R339 VanDerWaalsContact O-N 3.08Å; H336-R339 PolarHBondContact O-N 3.27Å; R339-E341 PolarHBondContact O-N 3.36Å; R339-Y342 PolarHBondContact O-N 2.66Å; R339-E343 PolarHBondContact O-N 3.17Å
340	Y	97.9	Very high	96.8	Very high	34 Å²	34	38.3 Å²	38.3	13%	0.133	17%	0.17	C	C	.	.	H	α-helix	trans	-65.4	-39.2	178	-62.3	-55.7	0	0	0	112.8	I246 P259 V261 L264 M338 Y342 E343 F344	I246-Y340 WeakPolarHBondContact CD1-O 3.3Å; P259-Y340 HydrophobicContact CB-CD2 4.1Å; P259-Y340 HydrophobicContact CB-CE2 4.38Å; V261-Y340 HydrophobicContact CG2-CE1 4.04Å; L264-Y340 HydrophobicContact CD2-CD1 3.89Å; M338-Y340 VanDerWaalsContact C-N 3.3Å; M338-Y340 PolarHBondContact O-N 2.8Å; M338-Y340 VanDerWaalsContact O-N 3.09Å; Y340-Y342 VanDerWaalsContact C-N 3.29Å; Y340-Y342 PolarHBondContact O-N 3.06Å; Y340-E343 PolarHBondContact O-N 3.47Å; Y340-F344 WeakPolarHBondContact O-CB 2.86Å; Y340-F344 PolarHBondContact O-N 2.92Å
341	E	98.3	Very high	96.8	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.009	19%	0.187	C	C	.	.	H	α-helix	trans	-65.7	-33.9	177.8	-64.9	-93.6	-105.7	0	0	111.4	P188 F243 Y244 I245 I246 M338 R339 Y345	P188-E341 HydrophobicContact CB-CB 3.96Å; P188-E341 HydrophobicContact CG-CB 3.91Å; F243-E341 HydrophobicContact CD2-CG 4.05Å; Y244-E341 PolarHBondContact N-OE1 3.12Å; I245-E341 WeakPolarHBondContact CA-OE2 3.37Å; I245-E341 WeakPolarHBondContact CB-OE2 3.32Å; I245-E341 PolarHBondContact N-OE1 3.09Å; I245-E341 PolarHBondContact N-OE2 2.9Å; I245-E341 VanDerWaalsContact N-OE2 3.1Å; I246-E341 HydrophobicContact CD1-CG 4.45Å; I246-E341 WeakPolarHBondContact CG1-OE2 3.45Å; I246-E341 PolarHBondContact N-OE2 2.95Å; M338-E341 HydrophobicContact CB-CB 4.35Å; M338-E341 WeakPolarHBondContact O-CA 3.18Å; M338-E341 WeakPolarHBondContact O-CB 3.28Å; M338-E341 PolarHBondContact O-N 3.32Å; R339-E341 PolarHBondContact O-N 3.36Å; E341-Y345 VanDerWaalsContact O-CB 3.28Å; E341-Y345 WeakPolarHBondContact O-CB 3.49Å; E341-Y345 PolarHBondContact O-N 3.34Å
342	Y	98.1	Very high	96.9	Very high	10 Å²	10	41.5 Å²	41.5	4%	0.039	19%	0.185	C	C	.	.	H	α-helix	trans	-68.9	-47.7	171.7	-89.8	-72	0	0	0	112	D187 P188 I189 Y335 M338 R339 Y340 F344 Y345 D346	D187-Y342 VanDerWaalsContact OD2-CE1 3.25Å; D187-Y342 WeakPolarHBondContact OD2-CE1 3.46Å; D187-Y342 PolarHBondContact OD2-OH 3.29Å; P188-Y342 HydrophobicContact CB-CD2 4.26Å; P188-Y342 HydrophobicContact CB-CE2 3.9Å; P188-Y342 HydrophobicContact CG-CD1 4.11Å; P188-Y342 HydrophobicContact CG-CD2 4.11Å; P188-Y342 HydrophobicContact CG-CE1 4.06Å; P188-Y342 HydrophobicContact CG-CE2 4.06Å; P188-Y342 HydrophobicContact CG-CG 4.11Å; I189-Y342 WeakPolarHBondContact CB-OH 3.06Å; I189-Y342 HydrophobicContact CD1-CE2 3.98Å; I189-Y342 WeakPolarHBondContact CD1-OH 3.08Å; I189-Y342 HydrophobicContact CG1-CE2 3.91Å; I189-Y342 VanDerWaalsContact CG1-OH 3.26Å; I189-Y342 WeakPolarHBondContact CG1-OH 3.31Å; I189-Y342 PolarHBondContact N-OH 3.5Å; Y335-Y342 HydrophobicContact CD2-CD1 4.49Å; Y335-Y342 AromaticContact CD2-CD2 3.53Å; Y335-Y342 HydrophobicContact CD2-CD2 3.53Å; Y335-Y342 HydrophobicContact CD2-CE1 4.4Å; Y335-Y342 AromaticContact CD2-CE2 3.41Å; Y335-Y342 HydrophobicContact CD2-CE2 3.41Å; Y335-Y342 VanDerWaalsContact CD2-CE2 3.41Å; Y335-Y342 HydrophobicContact CD2-CG 4.11Å; Y335-Y342 AromaticContact CD2-CZ 3.91Å; Y335-Y342 AromaticContact CE2-CD1 3.88Å; Y335-Y342 HydrophobicContact CE2-CD1 3.88Å; Y335-Y342 AromaticContact CE2-CD2 3.53Å; Y335-Y342 HydrophobicContact CE2-CD2 3.53Å; Y335-Y342 HydrophobicContact CE2-CE1 4.1Å; Y335-Y342 AromaticContact CE2-CE2 3.77Å; Y335-Y342 HydrophobicContact CE2-CE2 3.77Å; Y335-Y342 AromaticContact CE2-CG 3.61Å; Y335-Y342 HydrophobicContact CE2-CG 3.61Å; Y335-Y342 HydrophobicContact CG-CD2 4.39Å; Y335-Y342 HydrophobicContact CG-CE2 4.37Å; M338-Y342 HydrophobicContact CB-CD2 4.07Å; M338-Y342 HydrophobicContact CB-CE2 4.24Å; M338-Y342 PolarHBondContact O-N 3.1Å; R339-Y342 PolarHBondContact O-N 2.66Å; Y340-Y342 VanDerWaalsContact C-N 3.29Å; Y340-Y342 PolarHBondContact O-N 3.06Å; Y342-F344 PolarHBondContact O-N 2.04Å; Y342-Y345 PolarHBondContact O-N 2.98Å; Y342-D346 PolarHBondContact O-N 2.72Å
343	E	98.4	Very high	97.1	Very high	87 Å²	87	41.7 Å²	41.7	41%	0.407	19%	0.186	S	C	.	.	H	α-helix	trans	-58.3	-38.7	176.6	-158.8	-164.3	134.6	0	0	112	L264 K268 R339 Y340 F347	L264-E343 HydrophobicContact CD2-CB 4.25Å; L264-E343 VanDerWaalsContact CD2-CD 3.43Å; L264-E343 HydrophobicContact CD2-CG 4.31Å; L264-E343 WeakPolarHBondContact CD2-OE1 3.19Å; L264-E343 VanDerWaalsContact CD2-OE2 3.26Å; L264-E343 WeakPolarHBondContact CD2-OE2 3.43Å; K268-E343 IonicContact NZ-OE1 3.29Å; K268-E343 PolarHBondContact NZ-OE1 3.21Å; R339-E343 PolarHBondContact O-N 3.17Å; Y340-E343 PolarHBondContact O-N 3.47Å; E343-F347 WeakPolarHBondContact O-CB 3.1Å; E343-F347 PolarHBondContact O-N 3.14Å
344	F	98.8	Very high	97	Very high	0 Å²	0	43 Å²	43	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-67.9	-43.8	171.8	-173.4	-108.2	0	0	0	112.6	I245 I246 F249 L264 A267 K268 V271 Y340 Y342 F347 I348	I245-F344 HydrophobicContact CG2-CD1 4.04Å; I245-F344 HydrophobicContact CG2-CE1 3.96Å; I246-F344 HydrophobicContact CD1-CB 3.84Å; I246-F344 HydrophobicContact CD1-CG 4.41Å; I246-F344 HydrophobicContact CG1-CB 3.64Å; I246-F344 HydrophobicContact CG1-CD1 3.95Å; I246-F344 HydrophobicContact CG1-CD2 4.25Å; I246-F344 HydrophobicContact CG1-CG 3.67Å; F249-F344 HydrophobicContact CB-CE1 4.46Å; F249-F344 HydrophobicContact CB-CE2 4.47Å; F249-F344 HydrophobicContact CB-CZ 3.79Å; F249-F344 HydrophobicContact CD1-CZ 4.11Å; F249-F344 AromaticContact CD2-CE1 3.48Å; F249-F344 HydrophobicContact CD2-CE1 3.48Å; F249-F344 VanDerWaalsContact CD2-CE1 3.48Å; F249-F344 AromaticContact CD2-CZ 3.59Å; F249-F344 HydrophobicContact CD2-CZ 3.59Å; F249-F344 AromaticContact CE2-CE1 3.8Å; F249-F344 HydrophobicContact CE2-CE1 3.8Å; F249-F344 HydrophobicContact CE2-CZ 4.17Å; F249-F344 AromaticContact CG-CE1 3.98Å; F249-F344 HydrophobicContact CG-CE1 3.98Å; F249-F344 AromaticContact CG-CZ 3.56Å; F249-F344 HydrophobicContact CG-CZ 3.56Å; L264-F344 HydrophobicContact CD1-CB 3.61Å; L264-F344 HydrophobicContact CD1-CD2 4.06Å; L264-F344 HydrophobicContact CD1-CG 4.28Å; A267-F344 HydrophobicContact CB-CD2 4.07Å; A267-F344 HydrophobicContact CB-CE2 3.65Å; A267-F344 HydrophobicContact CB-CZ 4.21Å; K268-F344 HydrophobicContact CG-CD2 4.19Å; V271-F344 HydrophobicContact CG2-CE2 4.19Å; V271-F344 HydrophobicContact CG2-CZ 3.95Å; Y340-F344 WeakPolarHBondContact O-CB 2.86Å; Y340-F344 PolarHBondContact O-N 2.92Å; Y342-F344 PolarHBondContact O-N 2.04Å; F344-F347 PolarHBondContact O-N 2.98Å; F344-I348 HydrophobicContact CD1-CG1 4.24Å; F344-I348 HydrophobicContact CE1-CD1 4.37Å; F344-I348 HydrophobicContact CE1-CG1 3.84Å; F344-I348 HydrophobicContact CE2-CD1 4.18Å; F344-I348 HydrophobicContact CE2-CG1 4.18Å; F344-I348 HydrophobicContact CZ-CD1 3.87Å; F344-I348 HydrophobicContact CZ-CG1 3.81Å; F344-I348 VanDerWaalsContact O-CG1 3.27Å; F344-I348 WeakPolarHBondContact O-CG1 3.2Å; F344-I348 PolarHBondContact O-N 2.72Å
345	Y	98.6	Very high	96.9	Very high	21 Å²	21	45.4 Å²	45.4	8%	0.082	20%	0.203	C	C	.	.	H	α-helix	trans	-61.2	-44.3	178.4	174	-92.4	0	0	0	112	I185 I280 E282 E341 Y342 I348 R349	I185-Y345 HydrophobicContact CD1-CD2 3.64Å; I185-Y345 HydrophobicContact CD1-CE2 4.42Å; I185-Y345 HydrophobicContact CD1-CG 4.37Å; I185-Y345 HydrophobicContact CG1-CD2 4.05Å; I185-Y345 HydrophobicContact CG1-CE2 4.4Å; I280-Y345 HydrophobicContact CB-CE2 4.17Å; I280-Y345 HydrophobicContact CG2-CD2 4.38Å; I280-Y345 HydrophobicContact CG2-CE2 3.7Å; E282-Y345 PolarHBondContact OE2-OH 2.84Å; E341-Y345 VanDerWaalsContact O-CB 3.28Å; E341-Y345 WeakPolarHBondContact O-CB 3.49Å; E341-Y345 PolarHBondContact O-N 3.34Å; Y342-Y345 PolarHBondContact O-N 2.98Å; Y345-I348 PolarHBondContact O-N 2.9Å; Y345-R349 WeakPolarHBondContact O-CB 3.42Å; Y345-R349 PolarHBondContact O-N 3.25Å
346	D	98.4	Very high	96.8	Very high	47 Å²	47	43.4 Å²	43.4	25%	0.251	20%	0.195	S	C	.	.	H	α-helix	trans	-67.9	-42.1	179	-71.4	-31.1	0	0	0	111.5	Y342 I348 R349 D350	Y342-D346 PolarHBondContact O-N 2.72Å; D346-I348 VanDerWaalsContact C-N 3.32Å; D346-I348 PolarHBondContact O-N 3.09Å; D346-R349 PolarHBondContact O-N 3.39Å; D346-R349 IonicContact OD1-CZ 3.94Å; D346-R349 VanDerWaalsContact OD1-CZ 3.27Å; D346-R349 IonicContact OD1-NH1 3.66Å; D346-R349 PolarHBondContact OD1-NH1 2.93Å; D346-R349 IonicContact OD1-NH2 2.68Å; D346-D350 WeakPolarHBondContact O-CB 3.22Å; D346-D350 PolarHBondContact O-N 3.39Å
347	F	98.6	Very high	96.7	Very high	39 Å²	39	47.5 Å²	47.5	17%	0.171	21%	0.212	C	C	.	.	H	α-helix	trans	-53.6	-47.9	169.3	167.6	-97	0	0	0	111.9	K268 V271 L272 E343 F344 D350 Q351	K268-F347 HydrophobicContact CB-CD1 4.34Å; K268-F347 HydrophobicContact CB-CE1 3.92Å; K268-F347 HydrophobicContact CB-CE2 4.44Å; K268-F347 HydrophobicContact CB-CZ 3.97Å; K268-F347 HydrophobicContact CD-CD2 4.25Å; K268-F347 HydrophobicContact CD-CG 4.26Å; K268-F347 HydrophobicContact CG-CD1 3.82Å; K268-F347 HydrophobicContact CG-CD2 4.35Å; K268-F347 HydrophobicContact CG-CE1 3.93Å; K268-F347 HydrophobicContact CG-CE2 4.44Å; K268-F347 HydrophobicContact CG-CG 4.04Å; K268-F347 HydrophobicContact CG-CZ 4.23Å; V271-F347 HydrophobicContact CB-CE1 4.5Å; V271-F347 HydrophobicContact CG1-CE1 4.33Å; L272-F347 HydrophobicContact CD1-CZ 4.13Å; L272-F347 HydrophobicContact CD2-CZ 4.02Å; L272-F347 HydrophobicContact CG-CZ 3.97Å; E343-F347 WeakPolarHBondContact O-CB 3.1Å; E343-F347 PolarHBondContact O-N 3.14Å; F344-F347 PolarHBondContact O-N 2.98Å; F347-D350 PolarHBondContact O-N 2.61Å; F347-Q351 HydrophobicContact CD2-CG 4.31Å; F347-Q351 HydrophobicContact CE1-CG 4.18Å; F347-Q351 HydrophobicContact CE2-CG 3.91Å; F347-Q351 HydrophobicContact CZ-CG 3.84Å; F347-Q351 VanDerWaalsContact O-CG 3.32Å; F347-Q351 WeakPolarHBondContact O-CG 3.13Å; F347-Q351 PolarHBondContact O-N 2.74Å
348	I	98.6	Very high	96.5	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-65.3	-44	179.5	-68.6	-61.1	0	0	0	112.1	I185 V271 V278 I280 F344 Y345 D346 D350 Q351 F352	I185-I348 HydrophobicContact CD1-CB 3.67Å; I185-I348 HydrophobicContact CD1-CG1 3.89Å; I185-I348 HydrophobicContact CD1-CG2 3.57Å; I185-I348 HydrophobicContact CG1-CG2 3.94Å; V271-I348 HydrophobicContact CB-CD1 4.31Å; V271-I348 HydrophobicContact CG1-CD1 3.69Å; V271-I348 HydrophobicContact CG2-CD1 3.92Å; V278-I348 HydrophobicContact CB-CD1 4.06Å; V278-I348 HydrophobicContact CB-CG2 3.96Å; V278-I348 HydrophobicContact CG1-CD1 4.05Å; V278-I348 HydrophobicContact CG1-CG1 4.39Å; V278-I348 HydrophobicContact CG1-CG2 3.55Å; V278-I348 HydrophobicContact CG2-CD1 4.38Å; I280-I348 HydrophobicContact CG2-CG2 4.32Å; F344-I348 HydrophobicContact CD1-CG1 4.24Å; F344-I348 HydrophobicContact CE1-CD1 4.37Å; F344-I348 HydrophobicContact CE1-CG1 3.84Å; F344-I348 HydrophobicContact CE2-CD1 4.18Å; F344-I348 HydrophobicContact CE2-CG1 4.18Å; F344-I348 HydrophobicContact CZ-CD1 3.87Å; F344-I348 HydrophobicContact CZ-CG1 3.81Å; F344-I348 VanDerWaalsContact O-CG1 3.27Å; F344-I348 WeakPolarHBondContact O-CG1 3.2Å; F344-I348 PolarHBondContact O-N 2.72Å; Y345-I348 PolarHBondContact O-N 2.9Å; D346-I348 VanDerWaalsContact C-N 3.32Å; D346-I348 PolarHBondContact O-N 3.09Å; I348-D350 VanDerWaalsContact C-N 3.3Å; I348-D350 PolarHBondContact O-N 3.06Å; I348-Q351 PolarHBondContact O-N 2.71Å; I348-F352 VanDerWaalsContact O-CB 3.3Å; I348-F352 WeakPolarHBondContact O-CB 3.3Å; I348-F352 PolarHBondContact O-N 3.05Å
349	R	97.6	Very high	96.1	Very high	73 Å²	73	56.1 Å²	56.1	28%	0.275	25%	0.253	S	S	.	.	H	α-helix	trans	-56.5	-47.2	175	176.3	-163.7	70.7	-153.7	-1.1	110.5	I280 Y345 D346 F352 H353	I280-R349 HydrophobicContact CD1-CB 4.47Å; I280-R349 HydrophobicContact CD1-CG 4.06Å; I280-R349 HydrophobicContact CG2-CB 4.36Å; Y345-R349 WeakPolarHBondContact O-CB 3.42Å; Y345-R349 PolarHBondContact O-N 3.25Å; D346-R349 PolarHBondContact O-N 3.39Å; D346-R349 IonicContact OD1-CZ 3.94Å; D346-R349 VanDerWaalsContact OD1-CZ 3.27Å; D346-R349 IonicContact OD1-NH1 3.66Å; D346-R349 PolarHBondContact OD1-NH1 2.93Å; D346-R349 IonicContact OD1-NH2 2.68Å; R349-F352 WeakPolarHBondContact O-CB 3.47Å; R349-F352 PolarHBondContact O-N 3.41Å; R349-H353 WeakPolarHBondContact O-CB 3.39Å; R349-H353 PolarHBondContact O-N 3.13Å
350	D	97.1	Very high	95.6	Very high	78 Å²	78	52 Å²	52	42%	0.417	26%	0.256	S	S	.	.	H	α-helix	trans	-70.6	-38.5	-174.9	-66	-5.3	0	0	0	111.3	D346 F347 I348 H353 L354	D346-D350 WeakPolarHBondContact O-CB 3.22Å; D346-D350 PolarHBondContact O-N 3.39Å; F347-D350 PolarHBondContact O-N 2.61Å; I348-D350 VanDerWaalsContact C-N 3.3Å; I348-D350 PolarHBondContact O-N 3.06Å; D350-H353 PolarHBondContact O-N 2.94Å; D350-L354 WeakPolarHBondContact O-CB 3.39Å; D350-L354 PolarHBondContact O-N 3.34Å
351	Q	97	Very high	94.9	Very high	73 Å²	73	51.6 Å²	51.6	34%	0.341	26%	0.256	S	S	.	.	H	α-helix	trans	-62.1	-44.2	169.7	-68.7	-55.4	-37.8	0	0	112.1	F347 I348 L354 M355	F347-Q351 HydrophobicContact CD2-CG 4.31Å; F347-Q351 HydrophobicContact CE1-CG 4.18Å; F347-Q351 HydrophobicContact CE2-CG 3.91Å; F347-Q351 HydrophobicContact CZ-CG 3.84Å; F347-Q351 VanDerWaalsContact O-CG 3.32Å; F347-Q351 WeakPolarHBondContact O-CG 3.13Å; F347-Q351 PolarHBondContact O-N 2.74Å; I348-Q351 PolarHBondContact O-N 2.71Å; Q351-L354 PolarHBondContact O-N 3.43Å; Q351-M355 PolarHBondContact O-N 3.41Å
352	F	96.6	Very high	93.5	Very high	3 Å²	3	62.7 Å²	62.7	1%	0.013	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-47	177.2	174.8	-112.5	0	0	0	111.6	L277 I280 E283 D286 V287 M290 I348 R349 L354 M355 K356	L277-F352 HydrophobicContact CD1-CD2 3.97Å; L277-F352 HydrophobicContact CD1-CE2 4.27Å; I280-F352 HydrophobicContact CG1-CD1 4.38Å; E283-F352 HydrophobicContact CB-CE1 4.14Å; D286-F352 HydrophobicContact CB-CE1 4.45Å; D286-F352 HydrophobicContact CB-CZ 4.02Å; V287-F352 HydrophobicContact CB-CE2 4.44Å; V287-F352 HydrophobicContact CB-CZ 4.35Å; V287-F352 HydrophobicContact CG2-CE1 4.13Å; V287-F352 HydrophobicContact CG2-CE2 3.81Å; V287-F352 HydrophobicContact CG2-CZ 3.55Å; M290-F352 HydrophobicContact CB-CE2 4.42Å; M290-F352 HydrophobicContact CG-CE2 3.97Å; M290-F352 HydrophobicContact CG-CZ 4.45Å; I348-F352 VanDerWaalsContact O-CB 3.3Å; I348-F352 WeakPolarHBondContact O-CB 3.3Å; I348-F352 PolarHBondContact O-N 3.05Å; R349-F352 WeakPolarHBondContact O-CB 3.47Å; R349-F352 PolarHBondContact O-N 3.41Å; F352-L354 PolarHBondContact O-N 3.47Å; F352-M355 PolarHBondContact O-N 3Å; F352-K356 HydrophobicContact CE1-CD 4.44Å; F352-K356 VanDerWaalsContact O-CB 3.3Å; F352-K356 WeakPolarHBondContact O-CB 3.32Å; F352-K356 PolarHBondContact O-N 3.37Å
353	H	95.8	Very high	91.7	Very high	44 Å²	44	65.3 Å²	65.3	20%	0.204	32%	0.318	C	S	.	.	H	α-helix	trans	-64	-37.7	176.3	-73.2	-175.4	0	0	0	112.7	E283 R349 D350 K356 K357	E283-H353 IonicContact OE1-CD2 3.39Å; E283-H353 IonicContact OE1-CE1 3.71Å; E283-H353 PolarHBondContact OE1-CE1 2.87Å; E283-H353 IonicContact OE1-NE2 2.69Å; E283-H353 PolarHBondContact OE1-NE2 3.05Å; E283-H353 IonicContact OE2-CD2 3.83Å; E283-H353 IonicContact OE2-NE2 3.27Å; E283-H353 PolarHBondContact OE2-NE2 3.29Å; R349-H353 WeakPolarHBondContact O-CB 3.39Å; R349-H353 PolarHBondContact O-N 3.13Å; D350-H353 PolarHBondContact O-N 2.94Å; H353-K356 PolarHBondContact O-N 3.26Å; H353-K357 WeakPolarHBondContact O-CB 3.36Å; H353-K357 VanDerWaalsContact O-CG 3.25Å; H353-K357 WeakPolarHBondContact O-CG 3.18Å; H353-K357 PolarHBondContact O-N 3.47Å
354	L	94.6	Very high	89.8	Confident	72 Å²	72	65.2 Å²	65.2	38%	0.377	32%	0.323	S	S	.	.	H	α-helix	trans	-65.1	-41.5	174.9	-179.8	150.1	0	0	0	111.3	D350 Q351 F352 K357 K358	D350-L354 WeakPolarHBondContact O-CB 3.39Å; D350-L354 PolarHBondContact O-N 3.34Å; Q351-L354 PolarHBondContact O-N 3.43Å; F352-L354 PolarHBondContact O-N 3.47Å; L354-K357 PolarHBondContact O-N 3.43Å; L354-K358 HydrophobicContact CD2-CD 3.87Å; L354-K358 VanDerWaalsContact CD2-CE 3.47Å; L354-K358 WeakPolarHBondContact O-CG 3.41Å; L354-K358 PolarHBondContact O-N 2.83Å
355	M	93.7	Very high	87.4	Confident	52 Å²	52	70.8 Å²	70.8	26%	0.256	36%	0.362	S	S	.	.	H	α-helix	trans	-67.3	-42.9	175.3	-155.6	-169.7	-165.4	0	0	112	L277 M290 L294 Q351 F352 K357 K358 I359	L277-M355 HydrophobicContact CD1-SD 3.56Å; L277-M355 VanDerWaalsContact CD1-SD 3.56Å; M290-M355 HydrophobicContact CE-CB 3.76Å; M290-M355 HydrophobicContact CE-CG 3.58Å; M290-M355 HydrophobicContact CE-SD 3.54Å; M290-M355 VanDerWaalsContact CE-SD 3.54Å; L294-M355 HydrophobicContact CD1-CE 3.67Å; L294-M355 HydrophobicContact CD1-SD 4.08Å; L294-M355 HydrophobicContact CD2-CE 3.87Å; L294-M355 HydrophobicContact CG-CE 4.44Å; Q351-M355 PolarHBondContact O-N 3.41Å; F352-M355 PolarHBondContact O-N 3Å; M355-K357 VanDerWaalsContact C-N 3.34Å; M355-K357 PolarHBondContact O-N 2.85Å; M355-K358 PolarHBondContact O-N 3.28Å; M355-I359 HydrophobicContact CG-CD1 4.43Å; M355-I359 PolarHBondContact O-N 3.1Å
356	K	92.8	Very high	85.4	Confident	3 Å²	3	75.8 Å²	75.8	1%	0.013	38%	0.381	C	S	.	.	H	α-helix	trans	-55.4	-46.2	174	-171.5	-177.4	-170.2	178.8	0	111.4	E283 D286 F352 H353 I359 G360 L361 S363	E283-K356 IonicContact OE2-NZ 2.69Å; E283-K356 PolarHBondContact OE2-NZ 3.33Å; D286-K356 VanDerWaalsContact CG-CE 3.41Å; D286-K356 IonicContact OD1-NZ 2.69Å; D286-K356 WeakPolarHBondContact OD2-CE 3.32Å; D286-K356 IonicContact OD2-NZ 3.79Å; D286-K356 PolarHBondContact OD2-NZ 3.11Å; F352-K356 HydrophobicContact CE1-CD 4.44Å; F352-K356 VanDerWaalsContact O-CB 3.3Å; F352-K356 WeakPolarHBondContact O-CB 3.32Å; F352-K356 PolarHBondContact O-N 3.37Å; H353-K356 PolarHBondContact O-N 3.26Å; K356-I359 PolarHBondContact O-N 3.03Å; K356-G360 PolarHBondContact O-N 2.73Å; K356-L361 HydrophobicContact CG-CB 3.74Å; K356-L361 PolarHBondContact O-N 3.23Å; K356-S363 PolarHBondContact NZ-OG 3.47Å
357	K	92.1	Very high	82.9	Confident	161 Å²	161	79 Å²	79	70%	0.7	40%	0.404	S	S	*	.	H	α-helix	trans	-62.4	-46.7	173.8	-73.3	168.8	-175.9	175	0	112.4	H353 L354 M355 I359 G360	H353-K357 WeakPolarHBondContact O-CB 3.36Å; H353-K357 VanDerWaalsContact O-CG 3.25Å; H353-K357 WeakPolarHBondContact O-CG 3.18Å; H353-K357 PolarHBondContact O-N 3.47Å; L354-K357 PolarHBondContact O-N 3.43Å; M355-K357 VanDerWaalsContact C-N 3.34Å; M355-K357 PolarHBondContact O-N 2.85Å; K357-I359 VanDerWaalsContact C-N 3.26Å; K357-I359 PolarHBondContact O-N 2.74Å; K357-G360 PolarHBondContact O-N 2.98Å
358	K	90.9	Very high	80.9	Confident	168 Å²	168	80.6 Å²	80.6	73%	0.73	42%	0.419	S	S	*	.	H	α-helix	trans	-59.2	-33.1	178.2	-78.1	177.6	175.7	177.4	0	113.4	L354 M355 G360	L354-K358 HydrophobicContact CD2-CD 3.87Å; L354-K358 VanDerWaalsContact CD2-CE 3.47Å; L354-K358 WeakPolarHBondContact O-CG 3.41Å; L354-K358 PolarHBondContact O-N 2.83Å; M355-K358 PolarHBondContact O-N 3.28Å; K358-G360 VanDerWaalsContact C-N 3.3Å
359	I	87.9	Confident	78.9	Confident	63 Å²	63	84.4 Å²	84.4	32%	0.323	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	0.6	178.3	-62.6	179.1	0	0	0	111.9	M290 L294 M355 K356 K357 L361	M290-I359 HydrophobicContact CE-CD1 3.88Å; M290-I359 HydrophobicContact SD-CB 4.48Å; M290-I359 HydrophobicContact SD-CD1 4.01Å; L294-I359 HydrophobicContact CD2-CD1 4.12Å; M355-I359 HydrophobicContact CG-CD1 4.43Å; M355-I359 PolarHBondContact O-N 3.1Å; K356-I359 PolarHBondContact O-N 3.03Å; K357-I359 VanDerWaalsContact C-N 3.26Å; K357-I359 PolarHBondContact O-N 2.74Å; I359-L361 VanDerWaalsContact C-N 3.35Å; I359-L361 HydrophobicContact CG2-CG 4.43Å
360	G	86.4	Confident	77	Confident	61 Å²	61	82.2 Å²	82.2	63%	0.629	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	14.4	176.3	0	0	0	0	0	114.8	K356 K357 K358 R362	K356-G360 PolarHBondContact O-N 2.73Å; K357-G360 PolarHBondContact O-N 2.98Å; K358-G360 VanDerWaalsContact C-N 3.3Å; G360-R362 PolarHBondContact O-N 2.91Å
361	L	82.4	Confident	74.9	Confident	26 Å²	26	82.1 Å²	82.1	14%	0.136	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-77.9	121.4	175.5	-64.1	-177	0	0	0	110.1	L289 M290 K356 I359	L289-L361 HydrophobicContact CD2-CD1 3.96Å; L289-L361 HydrophobicContact CD2-CD2 3.83Å; L289-L361 HydrophobicContact CG-CD1 4.01Å; L289-L361 HydrophobicContact CG-CD2 4.37Å; M290-L361 HydrophobicContact CG-CD1 3.92Å; M290-L361 HydrophobicContact SD-CD1 3.6Å; M290-L361 VanDerWaalsContact SD-CD1 3.6Å; K356-L361 HydrophobicContact CG-CB 3.74Å; K356-L361 PolarHBondContact O-N 3.23Å; I359-L361 VanDerWaalsContact C-N 3.35Å; I359-L361 HydrophobicContact CG2-CG 4.43Å
362	R	70.1	Confident	72.9	Confident	234 Å²	234	82.7 Å²	82.7	88%	0.883	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-72.1	128.7	174.3	-63.6	-172.6	-178.5	-157.1	0.4	109.4	G360	G360-R362 PolarHBondContact O-N 2.91Å
363	S	58.9	Low	70.9	Confident	66 Å²	66	87.8 Å²	87.8	46%	0.462	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-74.2	134.6	174.6	-155.5	0	0	0	0	110.6	K356	K356-S363 PolarHBondContact NZ-OG 3.47Å
364	T	58.2	Low	69.4	Low	85 Å²	85	86.9 Å²	86.9	52%	0.521	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-83	116.3	159	54.1	0	0	0	0	107.4	R366	T364-R366 PolarHBondContact O-N 3.35Å
365	S	49.2	Very low	67.8	Low	117 Å²	117	86.2 Å²	86.2	82%	0.818	47%	0.467	S	S	*	.			trans	-69.6	92.4	179.4	53.4	0	0	0	0	110.1
366	R	55.6	Low	66	Low	125 Å²	125	91.6 Å²	91.6	47%	0.472	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-80.1	135	164.9	-66.3	-177.7	179	179.4	-1.3	108.1	E282 E285 T364	E282-R366 PolarHBondContact O-NH1 2.86Å; E285-R366 IonicContact OE1-CZ 2.63Å; E285-R366 IonicContact OE1-NH2 2.71Å; E285-R366 PolarHBondContact OE1-NH2 3.22Å; T364-R366 PolarHBondContact O-N 3.35Å
367	P	47.7	Very low	64.2	Low	114 Å²	114	94.7 Å²	94.7	74%	0.74	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-61.8	147.1	174.8	26.7	-33.7	0	0	0	110
368	P	55.6	Low	62.6	Low	73 Å²	73	87.1 Å²	87.1	47%	0.474	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-58.3	151.4	174.2	24.4	-33.1	0	0	0	111.1	Y370 P372	P368-Y370 WeakPolarHBondContact CB-O 3.48Å; P368-Y370 VanDerWaalsContact CG-O 3.26Å; P368-Y370 WeakPolarHBondContact CG-O 3.4Å; P368-Y370 PolarHBondContact O-N 2.78Å; P368-Y370 VanDerWaalsContact O-N 3.13Å; P368-P372 HydrophobicContact CG-CG 4.31Å
369	V	56.7	Low	60.8	Low	82 Å²	82	82.1 Å²	82.1	50%	0.497	46%	0.456	S	S	.	.	S	Bend	trans	-57.8	-29	-178.6	177.6	0	0	0	0	111.9	E282	E282-V369 HydrophobicContact CG-CG2 3.96Å
370	Y	57.7	Low	59	Low	27 Å²	27	85.3 Å²	85.3	11%	0.106	47%	0.473	C	S	.	.	S	Bend	trans	-115.9	141.3	171	-60.9	-78.6	0	0	0	109.8	I189 L331 P368 F374	I189-Y370 VanDerWaalsContact CG2-OH 3.22Å; I189-Y370 WeakPolarHBondContact CG2-OH 3.22Å; L331-Y370 HydrophobicContact CD1-CE1 4.32Å; P368-Y370 WeakPolarHBondContact CB-O 3.48Å; P368-Y370 VanDerWaalsContact CG-O 3.26Å; P368-Y370 WeakPolarHBondContact CG-O 3.4Å; P368-Y370 PolarHBondContact O-N 2.78Å; P368-Y370 VanDerWaalsContact O-N 3.13Å; Y370-F374 VanDerWaalsContact CB-CD1 3.41Å; Y370-F374 AromaticContact CD1-CD1 3.92Å; Y370-F374 HydrophobicContact CD1-CD1 3.92Å; Y370-F374 AromaticContact CD1-CE1 3.47Å; Y370-F374 HydrophobicContact CD1-CE1 3.47Å; Y370-F374 VanDerWaalsContact CD1-CE1 3.47Å; Y370-F374 HydrophobicContact CD1-CE2 4.28Å; Y370-F374 HydrophobicContact CD1-CG 4.47Å; Y370-F374 AromaticContact CD1-CZ 3.68Å; Y370-F374 HydrophobicContact CD1-CZ 3.68Å; Y370-F374 HydrophobicContact CD2-CE1 4.27Å; Y370-F374 HydrophobicContact CE1-CE1 4.16Å; Y370-F374 HydrophobicContact CE1-CZ 4.04Å; Y370-F374 AromaticContact CG-CD1 3.82Å; Y370-F374 HydrophobicContact CG-CD1 3.82Å; Y370-F374 AromaticContact CG-CE1 3.54Å; Y370-F374 HydrophobicContact CG-CE1 3.54Å; Y370-F374 HydrophobicContact CG-CZ 4.23Å
371	P	53.9	Low	57.1	Low	75 Å²	75	89.9 Å²	89.9	49%	0.487	47%	0.471	S	S	.	.			trans	-55	148.9	178.8	-26.3	34.3	0	0	0	112.9	D373 F374 L375	P371-D373 PolarHBondContact O-N 2.92Å; P371-F374 HydrophobicContact CB-CB 4.29Å; P371-F374 HydrophobicContact CG-CB 4.47Å; P371-F374 WeakPolarHBondContact O-CB 3.18Å; P371-F374 PolarHBondContact O-N 3.12Å; P371-L375 PolarHBondContact O-N 2.75Å
372	P	54.7	Low	55.1	Low	85 Å²	85	91.6 Å²	91.6	55%	0.552	48%	0.483	S	S	*	.	H	α-helix	trans	-53.8	-37	171.4	-25.3	35	0	0	0	112.3	P368 F374 L375 R376	P368-P372 HydrophobicContact CG-CG 4.31Å; P372-F374 VanDerWaalsContact C-N 3.35Å; P372-F374 PolarHBondContact O-N 3.49Å; P372-L375 PolarHBondContact O-N 3.02Å; P372-R376 WeakPolarHBondContact O-CB 3.37Å; P372-R376 PolarHBondContact O-N 3.25Å
373	D	54.8	Low	53.6	Low	110 Å²	110	85.5 Å²	85.5	59%	0.588	47%	0.474	S	S	*	.	H	α-helix	trans	-66.6	-33.1	177.4	-57.2	-51.1	0	0	0	112.8	P371 R376 E377	P371-D373 PolarHBondContact O-N 2.92Å; D373-R376 PolarHBondContact O-N 3.31Å; D373-E377 WeakPolarHBondContact O-CB 3.11Å; D373-E377 PolarHBondContact O-N 3.46Å
374	F	64	Low	52.5	Low	26 Å²	26	90.9 Å²	90.9	11%	0.114	49%	0.491	C	S	.	.	H	α-helix	trans	-67.8	-44.3	173.7	168.6	-84.8	0	0	0	111.1	L328 L331 Y370 P371 P372 R376 E377 L378	L328-F374 HydrophobicContact CD1-CD2 3.67Å; L328-F374 HydrophobicContact CD1-CE2 3.47Å; L328-F374 VanDerWaalsContact CD1-CE2 3.47Å; L331-F374 HydrophobicContact CB-CE2 4.32Å; L331-F374 HydrophobicContact CB-CZ 4.05Å; L331-F374 HydrophobicContact CD1-CE2 4.08Å; L331-F374 HydrophobicContact CD1-CZ 4.13Å; Y370-F374 VanDerWaalsContact CB-CD1 3.41Å; Y370-F374 AromaticContact CD1-CD1 3.92Å; Y370-F374 HydrophobicContact CD1-CD1 3.92Å; Y370-F374 AromaticContact CD1-CE1 3.47Å; Y370-F374 HydrophobicContact CD1-CE1 3.47Å; Y370-F374 VanDerWaalsContact CD1-CE1 3.47Å; Y370-F374 HydrophobicContact CD1-CE2 4.28Å; Y370-F374 HydrophobicContact CD1-CG 4.47Å; Y370-F374 AromaticContact CD1-CZ 3.68Å; Y370-F374 HydrophobicContact CD1-CZ 3.68Å; Y370-F374 HydrophobicContact CD2-CE1 4.27Å; Y370-F374 HydrophobicContact CE1-CE1 4.16Å; Y370-F374 HydrophobicContact CE1-CZ 4.04Å; Y370-F374 AromaticContact CG-CD1 3.82Å; Y370-F374 HydrophobicContact CG-CD1 3.82Å; Y370-F374 AromaticContact CG-CE1 3.54Å; Y370-F374 HydrophobicContact CG-CE1 3.54Å; Y370-F374 HydrophobicContact CG-CZ 4.23Å; P371-F374 HydrophobicContact CB-CB 4.29Å; P371-F374 HydrophobicContact CG-CB 4.47Å; P371-F374 WeakPolarHBondContact O-CB 3.18Å; P371-F374 PolarHBondContact O-N 3.12Å; P372-F374 VanDerWaalsContact C-N 3.35Å; P372-F374 PolarHBondContact O-N 3.49Å; F374-R376 VanDerWaalsContact C-N 3.29Å; F374-R376 PolarHBondContact O-N 3.48Å; F374-E377 PolarHBondContact O-N 3Å; F374-L378 HydrophobicContact CD1-CD1 3.57Å; F374-L378 HydrophobicContact CE1-CD1 3.28Å; F374-L378 HydrophobicContact CE1-CG 4.45Å; F374-L378 HydrophobicContact CG-CD1 4.37Å; F374-L378 HydrophobicContact CZ-CD1 3.85Å; F374-L378 WeakPolarHBondContact O-CB 3.4Å; F374-L378 WeakPolarHBondContact O-CD1 3.35Å; F374-L378 VanDerWaalsContact O-CG 3.3Å; F374-L378 WeakPolarHBondContact O-CG 3.21Å; F374-L378 PolarHBondContact O-N 3.27Å
375	L	60.1	Low	51.4	Low	58 Å²	58	92 Å²	92	30%	0.304	50%	0.5	S	S	.	.	H	α-helix	trans	-67.2	-32.3	175.8	-64.5	175.7	0	0	0	111.9	Y335 P371 P372 L378 A379	Y335-L375 HydrophobicContact CE2-CD2 4.2Å; P371-L375 PolarHBondContact O-N 2.75Å; P372-L375 PolarHBondContact O-N 3.02Å; L375-L378 HydrophobicContact CD2-CD1 4.22Å; L375-L378 WeakPolarHBondContact O-CB 3.45Å; L375-A379 WeakPolarHBondContact O-CB 3.29Å; L375-A379 PolarHBondContact O-N 3.3Å
376	R	55.6	Low	50.7	Low	165 Å²	165	94 Å²	94	62%	0.623	50%	0.501	S	S	*	.	H	α-helix	trans	-75.2	-40.2	176.2	-170.6	179.6	-177.7	-164.1	0.4	112.3	P372 D373 F374 L378 A379 L380	P372-R376 WeakPolarHBondContact O-CB 3.37Å; P372-R376 PolarHBondContact O-N 3.25Å; D373-R376 PolarHBondContact O-N 3.31Å; F374-R376 VanDerWaalsContact C-N 3.29Å; F374-R376 PolarHBondContact O-N 3.48Å; R376-L378 VanDerWaalsContact C-N 3.34Å; R376-A379 PolarHBondContact O-N 2.91Å; R376-L380 HydrophobicContact CG-CD1 3.81Å; R376-L380 HydrophobicContact CG-CG 4.32Å; R376-L380 VanDerWaalsContact O-CB 3.27Å; R376-L380 WeakPolarHBondContact O-CB 3.31Å; R376-L380 WeakPolarHBondContact O-CG 3.43Å; R376-L380 PolarHBondContact O-N 3.15Å
377	E	56.4	Low	49.7	Very low	68 Å²	68	94.8 Å²	94.8	32%	0.318	52%	0.515	S	S	.	.	H	α-helix	trans	-67.6	-35.4	174.4	-173.5	175.7	-167.8	0	0	111.4	D373 F374 R381	D373-E377 WeakPolarHBondContact O-CB 3.11Å; D373-E377 PolarHBondContact O-N 3.46Å; F374-E377 PolarHBondContact O-N 3Å; E377-R381 WeakPolarHBondContact O-CB 3.19Å; E377-R381 PolarHBondContact O-N 3.22Å; E377-R381 IonicContact OE1-CZ 3.36Å; E377-R381 IonicContact OE1-NH1 3.86Å; E377-R381 PolarHBondContact OE1-NH1 3.34Å; E377-R381 IonicContact OE1-NH2 3.46Å; E377-R381 PolarHBondContact OE1-NH2 2.87Å
378	L	56.8	Low	49.3	Very low	2 Å²	2	98 Å²	98	1%	0.01	52%	0.52	C	S	.	.	H	α-helix	trans	-58.2	-54.9	166.8	-84.9	163.6	0	0	0	111.9	Q332 Y335 F374 L375 R376 R381 T382	Q332-L378 HydrophobicContact CB-CD2 4.02Å; Q332-L378 HydrophobicContact CG-CD2 3.6Å; Q332-L378 HydrophobicContact CG-CG 4.42Å; Y335-L378 HydrophobicContact CD1-CB 4.41Å; Y335-L378 HydrophobicContact CD1-CD1 4.15Å; Y335-L378 HydrophobicContact CD1-CD2 3.76Å; Y335-L378 HydrophobicContact CD1-CG 4.36Å; Y335-L378 HydrophobicContact CD2-CD1 3.94Å; Y335-L378 HydrophobicContact CE1-CB 4.38Å; Y335-L378 HydrophobicContact CE1-CD1 4.47Å; Y335-L378 HydrophobicContact CE2-CD1 4.28Å; Y335-L378 HydrophobicContact CG-CD1 3.88Å; Y335-L378 HydrophobicContact CG-CD2 3.88Å; Y335-L378 HydrophobicContact CG-CG 4.47Å; F374-L378 HydrophobicContact CD1-CD1 3.57Å; F374-L378 HydrophobicContact CE1-CD1 3.28Å; F374-L378 HydrophobicContact CE1-CG 4.45Å; F374-L378 HydrophobicContact CG-CD1 4.37Å; F374-L378 HydrophobicContact CZ-CD1 3.85Å; F374-L378 WeakPolarHBondContact O-CB 3.4Å; F374-L378 WeakPolarHBondContact O-CD1 3.35Å; F374-L378 VanDerWaalsContact O-CG 3.3Å; F374-L378 WeakPolarHBondContact O-CG 3.21Å; F374-L378 PolarHBondContact O-N 3.27Å; L375-L378 HydrophobicContact CD2-CD1 4.22Å; L375-L378 WeakPolarHBondContact O-CB 3.45Å; R376-L378 VanDerWaalsContact C-N 3.34Å; L378-R381 PolarHBondContact O-N 2.83Å; L378-T382 PolarHBondContact O-N 2.84Å; L378-T382 PolarHBondContact O-OG1 2.95Å
379	A	54	Low	48.5	Very low	62 Å²	62	101.8 Å²	101.8	51%	0.512	54%	0.536	S	S	.	.	H	α-helix	trans	-60.9	-47.5	-179.4	0	0	0	0	0	112	L375 R376 R381 T382	L375-A379 WeakPolarHBondContact O-CB 3.29Å; L375-A379 PolarHBondContact O-N 3.3Å; R376-A379 PolarHBondContact O-N 2.91Å; A379-R381 VanDerWaalsContact C-N 3.3Å; A379-R381 PolarHBondContact O-N 3.14Å; A379-T382 WeakPolarHBondContact O-CB 3.44Å; A379-T382 PolarHBondContact O-N 3.22Å; A379-T382 PolarHBondContact O-OG1 3.37Å
380	L	51.1	Low	47.5	Very low	131 Å²	131	106.8 Å²	106.8	69%	0.686	55%	0.554	S	S	*	*	H	α-helix	trans	-71.2	-15.7	-176.1	-70.2	172.8	0	0	0	115	R376	R376-L380 HydrophobicContact CG-CD1 3.81Å; R376-L380 HydrophobicContact CG-CG 4.32Å; R376-L380 VanDerWaalsContact O-CB 3.27Å; R376-L380 WeakPolarHBondContact O-CB 3.31Å; R376-L380 WeakPolarHBondContact O-CG 3.43Å; R376-L380 PolarHBondContact O-N 3.15Å
381	R	46	Very low	46.3	Very low	157 Å²	157	114.3 Å²	114.3	59%	0.592	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	7.3	173.6	-68.9	-164.7	-173.3	129.1	9.8	113.6	E377 L378 A379 P383	E377-R381 WeakPolarHBondContact O-CB 3.19Å; E377-R381 PolarHBondContact O-N 3.22Å; E377-R381 IonicContact OE1-CZ 3.36Å; E377-R381 IonicContact OE1-NH1 3.86Å; E377-R381 PolarHBondContact OE1-NH1 3.34Å; E377-R381 IonicContact OE1-NH2 3.46Å; E377-R381 PolarHBondContact OE1-NH2 2.87Å; L378-R381 PolarHBondContact O-N 2.83Å; A379-R381 VanDerWaalsContact C-N 3.3Å; A379-R381 PolarHBondContact O-N 3.14Å; R381-P383 VanDerWaalsContact O-CD 3.24Å; R381-P383 WeakPolarHBondContact O-CD 2.9Å
382	T	39.2	Very low	45.4	Very low	61 Å²	61	117.5 Å²	117.5	37%	0.374	60%	0.602	S	S	.	*			trans	-76.8	115.2	168.6	-44.6	0	0	0	0	107.3	H336 L378 A379 E384	H336-T382 PolarHBondContact CE1-OG1 2.88Å; L378-T382 PolarHBondContact O-N 2.84Å; L378-T382 PolarHBondContact O-OG1 2.95Å; A379-T382 WeakPolarHBondContact O-CB 3.44Å; A379-T382 PolarHBondContact O-N 3.22Å; A379-T382 PolarHBondContact O-OG1 3.37Å; T382-E384 PolarHBondContact O-N 3.34Å
383	P	39.3	Very low	44.3	Very low	107 Å²	107	120.9 Å²	120.9	70%	0.695	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-61.7	133.3	160.2	26.7	-30.3	0	0	0	107.1	R381	R381-P383 VanDerWaalsContact O-CD 3.24Å; R381-P383 WeakPolarHBondContact O-CD 2.9Å
384	E	36.3	Very low	43.3	Very low	178 Å²	178	119.9 Å²	119.9	83%	0.832	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-54.1	138.8	164.6	-68.2	-179.1	147.9	0	0	107.6	T382 L386	T382-E384 PolarHBondContact O-N 3.34Å; E384-L386 PolarHBondContact O-N 3.46Å
385	P	35.5	Very low	41.9	Very low	110 Å²	110	125.1 Å²	125.1	71%	0.714	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-56.9	133.5	173.2	26.6	-32.8	0	0	0	107.7	D387	P385-D387 PolarHBondContact O-N 3.38Å
386	L	34.5	Very low	40.7	Very low	157 Å²	157	128.2 Å²	128.2	82%	0.822	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-58.6	131.9	160.1	-72.5	165.4	0	0	0	106.7	E384 E388	E384-L386 PolarHBondContact O-N 3.46Å; L386-E388 VanDerWaalsContact C-N 3.3Å; L386-E388 PolarHBondContact O-N 3.49Å
387	D	33.2	Very low	39.6	Very low	143 Å²	143	128.6 Å²	128.6	77%	0.765	67%	0.672	S	S	*	*			trans	-67.4	89.8	174.1	-64.1	-59.1	0	0	0	108.6	P385 D389	P385-D387 PolarHBondContact O-N 3.38Å; D387-D389 PolarHBondContact O-N 2.69Å
388	E	40.8	Very low	38.6	Very low	181 Å²	181	132.7 Å²	132.7	85%	0.846	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	28.1	172.7	-69.7	-173.2	158.3	0	0	112.3	L386	L386-E388 VanDerWaalsContact C-N 3.3Å; L386-E388 PolarHBondContact O-N 3.49Å
389	D	38.1	Very low	37.5	Very low	153 Å²	153	136.5 Å²	136.5	82%	0.818	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.9	25.5	-172.5	-77.9	-37.4	0	0	0	112.9	D387	D387-D389 PolarHBondContact O-N 2.69Å
390	E	35.7	Very low	36.6	Very low	187 Å²	187	140.6 Å²	140.6	87%	0.874	74%	0.74	S	S	*	*	S	Bend	trans	-135.9	24	173.3	-79	-156.5	165.5	0	0	116.2
391	E	33.2	Very low	35.7	Very low	184 Å²	184	138.9 Å²	138.9	86%	0.86	74%	0.739	S	S	*	*	S	Bend	trans	-148.8	31.1	176.2	-135.2	170.6	-138	0	0	116.7
392	L	33.2	Very low	35.3	Very low	142 Å²	142	142.4 Å²	142.4	74%	0.743	75%	0.753	S	S	*	*	S	Bend	trans	-131.7	12	-178.7	-112.7	160.2	0	0	0	116.3
393	D	33.2	Very low	35.2	Very low	157 Å²	157	147.8 Å²	147.8	84%	0.84	78%	0.779	S	S	*	*	S	Bend	trans	-103.8	6.3	177.7	-95.6	-13.6	0	0	0	114
394	S	33.7	Very low	34.8	Very low	89 Å²	89	149 Å²	149	62%	0.622	78%	0.784	S	S	*	*	S	Bend	trans	-95.6	-22.6	178.4	62	0	0	0	0	115.5
395	D	33.7	Very low	34.6	Very low	135 Å²	135	148.4 Å²	148.4	72%	0.722	78%	0.781	S	S	*	*	S	Bend	trans	-101.4	10	-167.5	-71.2	-0.9	0	0	0	114.2
396	L	35	Very low	35.1	Very low	124 Å²	124	152 Å²	152	65%	0.649	80%	0.804	S	S	*	*	S	Bend	trans	-106.7	-5	-179.1	-76.8	171.3	0	0	0	115.1
397	E	33.4	Very low	35.2	Very low	173 Å²	173	151.7 Å²	151.7	81%	0.808	80%	0.803	S	S	*	*	S	Bend	trans	-85.4	-27.2	177.8	-64.3	-156.6	136.2	0	0	113.8	A399	E397-A399 VanDerWaalsContact C-N 3.34Å; E397-A399 PolarHBondContact O-N 3.16Å
398	D	34.3	Very low	35.3	Very low	154 Å²	154	152.2 Å²	152.2	82%	0.824	81%	0.805	S	S	*	*	G	3₁₀ helix	trans	-79	-8.2	-176.7	-90.8	-22.7	0	0	0	115.1
399	A	34.2	Very low	34.9	Very low	81 Å²	81	150.6 Å²	150.6	67%	0.669	80%	0.802	S	S	*	*	G	3₁₀ helix	trans	-83.8	-10.5	-176.9	0	0	0	0	0	115	E397	E397-A399 VanDerWaalsContact C-N 3.34Å; E397-A399 PolarHBondContact O-N 3.16Å
400	N	34.5	Very low	34.8	Very low	148 Å²	148	150.4 Å²	150.4	79%	0.791	80%	0.801	S	S	*	*	G	3₁₀ helix	trans	-101.8	8.1	-172.1	-79.2	-42.7	0	0	0	115.2
401	S	33.2	Very low	34.7	Very low	95 Å²	95	148.1 Å²	148.1	66%	0.664	80%	0.797	S	S	*	*	S	Bend	trans	-83.9	-5.1	-174.1	-161	0	0	0	0	115.5
402	W	37.8	Very low	34.8	Very low	231 Å²	231	145.7 Å²	145.7	88%	0.875	79%	0.793	S	S	*	*	S	Bend	trans	-135.5	94	-175.4	-63.3	95.4	0	0	0	113.1
403	L	35.6	Very low	34.9	Very low	175 Å²	175	146 Å²	146	92%	0.916	80%	0.796	S	S	*	*			trans	170.7	64.1	139.8	-92.8	168.9	0	0	0	113.1
404	V	32.2	Very low	35.1	Very low	133 Å²	133	145.2 Å²	145.2	81%	0.806	79%	0.793	S	S	*	*			trans	-155.2	132.7	168.3	-176.4	0	0	0	0	105.9
405	H	31	Very low	35.2	Very low	165 Å²	165	149.8 Å²	149.8	76%	0.764	81%	0.807	S	S	*	*			cis	-149	180	-7.1	-118.2	-40.5	0	0	0	106.3
406	P	47.3	Very low	35.3	Very low	184 Å²	184	151.2 Å²	151.2	100%	1.195	82%	0.815	S	S	*	*			cis	-105.6	0	6.1	12.2	11	0	0	0	114.9

Retrieved 406 of 406 residues in 454.2 ms (Link to these results)

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